Entering Gaussian System, Link 0=g16 Input=charges.com Output=charges.log Initial command: /home/rgalindo/g16/l1.exe "/home/rgalindo/tmp/Gau-1323443.inp" -scrdir="/home/rgalindo/tmp/" Entering Link 1 = /home/rgalindo/g16/l1.exe PID= 1323445. 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 7-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 6.724 -5.205 1.793 C 7.178 -4.802 3.212 O 6.316 -6.559 1.797 O 2.727 -2.108 0.085 C 3.62 -2.839 0.51 N 4.88 -2.551 0.199 C 5.907 -3.32 0.64 O 7.075 -3.04 0.338 N 5.652 -4.418 1.401 C 4.352 -4.77 1.754 C 3.32 -4.029 1.347 H 7.558 -5.042 1.094 H 7.484 -3.744 3.211 H 8.029 -5.428 3.515 H 5.076 -1.771 -0.36 H 4.195 -5.629 2.344 C 1.908 -4.422 1.737 H 6.348 -4.943 3.922 H 7.089 -7.128 2.056 C 1.685 -5.633 2.557 C 0.454 -5.995 2.909 C -0.696 -5.197 2.488 C -0.508 -4.102 1.755 C 0.846 -3.699 1.361 H 2.507 -6.221 2.869 H 0.307 -6.866 3.5 C -2.094 -5.601 2.897 H -1.346 -3.517 1.454 H 0.974 -2.827 0.776 C -2.453 -7.005 2.336 C -2.442 -7.009 0.793 H -2.126 -5.694 3.992 H -2.824 -4.856 2.547 H -1.73 -7.745 2.709 H -3.461 -7.278 2.68 C -2.818 -8.411 0.293 H -1.441 -6.748 0.424 H -3.173 -6.279 0.418 H -3.822 -8.673 0.658 H -2.088 -9.142 0.669 C -2.812 -8.42 -1.243 H -1.809 -8.157 -1.608 H -3.542 -7.687 -1.616 H -3.082 -9.423 -1.604 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5434 estimate D2E/DX2 ! ! R2 R(1,3) 1.4141 estimate D2E/DX2 ! ! R3 R(1,9) 1.3864 estimate D2E/DX2 ! ! R4 R(1,12) 1.1003 estimate D2E/DX2 ! ! R5 R(2,13) 1.1014 estimate D2E/DX2 ! ! R6 R(2,14) 1.099 estimate D2E/DX2 ! ! R7 R(2,18) 1.1013 estimate D2E/DX2 ! ! R8 R(3,19) 0.9942 estimate D2E/DX2 ! ! R9 R(4,5) 1.2298 estimate D2E/DX2 ! ! R10 R(5,6) 1.3294 estimate D2E/DX2 ! ! R11 R(5,11) 1.4855 estimate D2E/DX2 ! ! R12 R(6,7) 1.3567 estimate D2E/DX2 ! ! R13 R(6,15) 0.9794 estimate D2E/DX2 ! ! R14 R(7,8) 1.2385 estimate D2E/DX2 ! ! R15 R(7,9) 1.3601 estimate D2E/DX2 ! ! R16 R(9,10) 1.3923 estimate D2E/DX2 ! ! R17 R(10,11) 1.3341 estimate D2E/DX2 ! ! R18 R(10,16) 1.0539 estimate D2E/DX2 ! ! R19 R(11,17) 1.5167 estimate D2E/DX2 ! ! R20 R(17,20) 1.4794 estimate D2E/DX2 ! ! R21 R(17,24) 1.3386 estimate D2E/DX2 ! ! R22 R(20,21) 1.3305 estimate D2E/DX2 ! ! R23 R(20,25) 1.0577 estimate D2E/DX2 ! ! R24 R(21,22) 1.4617 estimate D2E/DX2 ! ! R25 R(21,26) 1.0628 estimate D2E/DX2 ! ! R26 R(22,23) 1.331 estimate D2E/DX2 ! ! R27 R(22,27) 1.5116 estimate D2E/DX2 ! ! R28 R(23,24) 1.4666 estimate D2E/DX2 ! ! R29 R(23,28) 1.0654 estimate D2E/DX2 ! ! R30 R(24,29) 1.0578 estimate D2E/DX2 ! ! R31 R(27,30) 1.554 estimate D2E/DX2 ! ! R32 R(27,32) 1.0994 estimate D2E/DX2 ! ! R33 R(27,33) 1.1002 estimate D2E/DX2 ! ! R34 R(30,31) 1.543 estimate D2E/DX2 ! ! R35 R(30,34) 1.0998 estimate D2E/DX2 ! ! R36 R(30,35) 1.0995 estimate D2E/DX2 ! ! R37 R(31,36) 1.5352 estimate D2E/DX2 ! ! R38 R(31,37) 1.0983 estimate D2E/DX2 ! ! R39 R(31,38) 1.099 estimate D2E/DX2 ! ! R40 R(36,39) 1.0999 estimate D2E/DX2 ! ! R41 R(36,40) 1.0994 estimate D2E/DX2 ! ! R42 R(36,41) 1.536 estimate D2E/DX2 ! ! R43 R(41,42) 1.0993 estimate D2E/DX2 ! ! R44 R(41,43) 1.0997 estimate D2E/DX2 ! ! R45 R(41,44) 1.0996 estimate D2E/DX2 ! ! A1 A(2,1,3) 109.4069 estimate D2E/DX2 ! ! A2 A(2,1,9) 109.8265 estimate D2E/DX2 ! ! A3 A(2,1,12) 108.8096 estimate D2E/DX2 ! ! A4 A(3,1,9) 108.7367 estimate D2E/DX2 ! ! A5 A(3,1,12) 111.2424 estimate D2E/DX2 ! ! A6 A(9,1,12) 108.8051 estimate D2E/DX2 ! ! A7 A(1,2,13) 109.3734 estimate D2E/DX2 ! ! A8 A(1,2,14) 109.4216 estimate D2E/DX2 ! ! A9 A(1,2,18) 109.731 estimate D2E/DX2 ! ! A10 A(13,2,14) 109.4072 estimate D2E/DX2 ! ! A11 A(13,2,18) 109.4489 estimate D2E/DX2 ! ! A12 A(14,2,18) 109.4448 estimate D2E/DX2 ! ! A13 A(1,3,19) 108.9295 estimate D2E/DX2 ! ! A14 A(4,5,6) 118.5947 estimate D2E/DX2 ! ! A15 A(4,5,11) 121.617 estimate D2E/DX2 ! ! A16 A(6,5,11) 119.787 estimate D2E/DX2 ! ! A17 A(5,6,7) 121.2413 estimate D2E/DX2 ! ! A18 A(5,6,15) 119.7171 estimate D2E/DX2 ! ! A19 A(7,6,15) 119.0415 estimate D2E/DX2 ! ! A20 A(6,7,8) 120.4312 estimate D2E/DX2 ! ! A21 A(6,7,9) 119.8388 estimate D2E/DX2 ! ! A22 A(8,7,9) 119.7216 estimate D2E/DX2 ! ! A23 A(1,9,7) 118.1317 estimate D2E/DX2 ! ! A24 A(1,9,10) 120.4475 estimate D2E/DX2 ! ! A25 A(7,9,10) 121.4014 estimate D2E/DX2 ! ! A26 A(9,10,11) 120.2989 estimate D2E/DX2 ! ! A27 A(9,10,16) 119.1509 estimate D2E/DX2 ! ! A28 A(11,10,16) 120.5501 estimate D2E/DX2 ! ! A29 A(5,11,10) 117.4276 estimate D2E/DX2 ! ! A30 A(5,11,17) 122.7164 estimate D2E/DX2 ! ! A31 A(10,11,17) 119.8551 estimate D2E/DX2 ! ! A32 A(11,17,20) 119.6677 estimate D2E/DX2 ! ! A33 A(11,17,24) 121.7635 estimate D2E/DX2 ! ! A34 A(20,17,24) 118.5687 estimate D2E/DX2 ! ! A35 A(17,20,21) 120.5844 estimate D2E/DX2 ! ! A36 A(17,20,25) 120.0931 estimate D2E/DX2 ! ! A37 A(21,20,25) 119.3224 estimate D2E/DX2 ! ! A38 A(20,21,22) 120.2101 estimate D2E/DX2 ! ! A39 A(20,21,26) 119.8715 estimate D2E/DX2 ! ! A40 A(22,21,26) 119.9183 estimate D2E/DX2 ! ! A41 A(21,22,23) 119.7765 estimate D2E/DX2 ! ! A42 A(21,22,27) 120.2512 estimate D2E/DX2 ! ! A43 A(23,22,27) 119.9675 estimate D2E/DX2 ! ! A44 A(22,23,24) 120.2912 estimate D2E/DX2 ! ! A45 A(22,23,28) 119.7495 estimate D2E/DX2 ! ! A46 A(24,23,28) 119.9593 estimate D2E/DX2 ! ! A47 A(17,24,23) 120.5678 estimate D2E/DX2 ! ! A48 A(17,24,29) 120.3022 estimate D2E/DX2 ! ! A49 A(23,24,29) 119.1299 estimate D2E/DX2 ! ! A50 A(22,27,30) 110.944 estimate D2E/DX2 ! ! A51 A(22,27,32) 108.6036 estimate D2E/DX2 ! ! A52 A(22,27,33) 110.2795 estimate D2E/DX2 ! ! A53 A(30,27,32) 106.0462 estimate D2E/DX2 ! ! A54 A(30,27,33) 110.1006 estimate D2E/DX2 ! ! A55 A(32,27,33) 110.7823 estimate D2E/DX2 ! ! A56 A(27,30,31) 111.2044 estimate D2E/DX2 ! ! A57 A(27,30,34) 109.4886 estimate D2E/DX2 ! ! A58 A(27,30,35) 108.8551 estimate D2E/DX2 ! ! A59 A(31,30,34) 109.4343 estimate D2E/DX2 ! ! A60 A(31,30,35) 108.5873 estimate D2E/DX2 ! ! A61 A(34,30,35) 109.2396 estimate D2E/DX2 ! ! A62 A(30,31,36) 109.0439 estimate D2E/DX2 ! ! A63 A(30,31,37) 109.9892 estimate D2E/DX2 ! ! A64 A(30,31,38) 109.5564 estimate D2E/DX2 ! ! A65 A(36,31,37) 109.3178 estimate D2E/DX2 ! ! A66 A(36,31,38) 109.4234 estimate D2E/DX2 ! ! A67 A(37,31,38) 109.4946 estimate D2E/DX2 ! ! A68 A(31,36,39) 109.4508 estimate D2E/DX2 ! ! A69 A(31,36,40) 109.4631 estimate D2E/DX2 ! ! A70 A(31,36,41) 109.2728 estimate D2E/DX2 ! ! A71 A(39,36,40) 109.5251 estimate D2E/DX2 ! ! A72 A(39,36,41) 109.5115 estimate D2E/DX2 ! ! A73 A(40,36,41) 109.6037 estimate D2E/DX2 ! ! A74 A(36,41,42) 109.5234 estimate D2E/DX2 ! ! A75 A(36,41,43) 109.4315 estimate D2E/DX2 ! ! A76 A(36,41,44) 109.4305 estimate D2E/DX2 ! ! A77 A(42,41,43) 109.4869 estimate D2E/DX2 ! ! A78 A(42,41,44) 109.466 estimate D2E/DX2 ! ! A79 A(43,41,44) 109.489 estimate D2E/DX2 ! ! D1 D(3,1,2,13) -179.3147 estimate D2E/DX2 ! ! D2 D(3,1,2,14) 60.8536 estimate D2E/DX2 ! ! D3 D(3,1,2,18) -59.2429 estimate D2E/DX2 ! ! D4 D(9,1,2,13) -60.0368 estimate D2E/DX2 ! ! D5 D(9,1,2,14) -179.8685 estimate D2E/DX2 ! ! D6 D(9,1,2,18) 60.035 estimate D2E/DX2 ! ! D7 D(12,1,2,13) 58.9627 estimate D2E/DX2 ! ! D8 D(12,1,2,14) -60.8691 estimate D2E/DX2 ! ! D9 D(12,1,2,18) 179.0344 estimate D2E/DX2 ! ! D10 D(2,1,3,19) -61.436 estimate D2E/DX2 ! ! D11 D(9,1,3,19) 178.6153 estimate D2E/DX2 ! ! D12 D(12,1,3,19) 58.8098 estimate D2E/DX2 ! ! D13 D(2,1,9,7) 96.1283 estimate D2E/DX2 ! ! D14 D(2,1,9,10) -85.4519 estimate D2E/DX2 ! ! D15 D(3,1,9,7) -144.184 estimate D2E/DX2 ! ! D16 D(3,1,9,10) 34.2358 estimate D2E/DX2 ! ! D17 D(12,1,9,7) -22.8739 estimate D2E/DX2 ! ! D18 D(12,1,9,10) 155.546 estimate D2E/DX2 ! ! D19 D(4,5,6,7) 179.9308 estimate D2E/DX2 ! ! D20 D(4,5,6,15) -0.1762 estimate D2E/DX2 ! ! D21 D(11,5,6,7) -0.4725 estimate D2E/DX2 ! ! D22 D(11,5,6,15) 179.4204 estimate D2E/DX2 ! ! D23 D(4,5,11,10) 179.4688 estimate D2E/DX2 ! ! D24 D(4,5,11,17) -0.182 estimate D2E/DX2 ! ! D25 D(6,5,11,10) -0.1153 estimate D2E/DX2 ! ! D26 D(6,5,11,17) -179.7662 estimate D2E/DX2 ! ! D27 D(5,6,7,8) 179.7935 estimate D2E/DX2 ! ! D28 D(5,6,7,9) 0.8492 estimate D2E/DX2 ! ! D29 D(15,6,7,8) -0.1002 estimate D2E/DX2 ! ! D30 D(15,6,7,9) -179.0445 estimate D2E/DX2 ! ! D31 D(6,7,9,1) 177.7622 estimate D2E/DX2 ! ! D32 D(6,7,9,10) -0.6417 estimate D2E/DX2 ! ! D33 D(8,7,9,1) -1.1896 estimate D2E/DX2 ! ! D34 D(8,7,9,10) -179.5935 estimate D2E/DX2 ! ! D35 D(1,9,10,11) -178.318 estimate D2E/DX2 ! ! D36 D(1,9,10,16) 1.5527 estimate D2E/DX2 ! ! D37 D(7,9,10,11) 0.0493 estimate D2E/DX2 ! ! D38 D(7,9,10,16) 179.9201 estimate D2E/DX2 ! ! D39 D(9,10,11,5) 0.317 estimate D2E/DX2 ! ! D40 D(9,10,11,17) 179.9784 estimate D2E/DX2 ! ! D41 D(16,10,11,5) -179.5519 estimate D2E/DX2 ! ! D42 D(16,10,11,17) 0.1094 estimate D2E/DX2 ! ! D43 D(5,11,17,20) 179.0943 estimate D2E/DX2 ! ! D44 D(5,11,17,24) -1.0328 estimate D2E/DX2 ! ! D45 D(10,11,17,20) -0.5484 estimate D2E/DX2 ! ! D46 D(10,11,17,24) 179.3245 estimate D2E/DX2 ! ! D47 D(11,17,20,21) -179.9668 estimate D2E/DX2 ! ! D48 D(11,17,20,25) -0.0061 estimate D2E/DX2 ! ! D49 D(24,17,20,21) 0.1563 estimate D2E/DX2 ! ! D50 D(24,17,20,25) -179.883 estimate D2E/DX2 ! ! D51 D(11,17,24,23) -179.8926 estimate D2E/DX2 ! ! D52 D(11,17,24,29) 0.0027 estimate D2E/DX2 ! ! D53 D(20,17,24,23) -0.0184 estimate D2E/DX2 ! ! D54 D(20,17,24,29) 179.8769 estimate D2E/DX2 ! ! D55 D(17,20,21,22) -0.0111 estimate D2E/DX2 ! ! D56 D(17,20,21,26) -179.8731 estimate D2E/DX2 ! ! D57 D(25,20,21,22) -179.972 estimate D2E/DX2 ! ! D58 D(25,20,21,26) 0.1659 estimate D2E/DX2 ! ! D59 D(20,21,22,23) -0.2861 estimate D2E/DX2 ! ! D60 D(20,21,22,27) -179.491 estimate D2E/DX2 ! ! D61 D(26,21,22,23) 179.5759 estimate D2E/DX2 ! ! D62 D(26,21,22,27) 0.371 estimate D2E/DX2 ! ! D63 D(21,22,23,24) 0.4243 estimate D2E/DX2 ! ! D64 D(21,22,23,28) -179.5828 estimate D2E/DX2 ! ! D65 D(27,22,23,24) 179.6314 estimate D2E/DX2 ! ! D66 D(27,22,23,28) -0.3756 estimate D2E/DX2 ! ! D67 D(21,22,27,30) -61.2854 estimate D2E/DX2 ! ! D68 D(21,22,27,32) 54.8898 estimate D2E/DX2 ! ! D69 D(21,22,27,33) 176.4571 estimate D2E/DX2 ! ! D70 D(23,22,27,30) 119.5112 estimate D2E/DX2 ! ! D71 D(23,22,27,32) -124.3135 estimate D2E/DX2 ! ! D72 D(23,22,27,33) -2.7463 estimate D2E/DX2 ! ! D73 D(22,23,24,17) -0.2783 estimate D2E/DX2 ! ! D74 D(22,23,24,29) 179.8252 estimate D2E/DX2 ! ! D75 D(28,23,24,17) 179.7287 estimate D2E/DX2 ! ! D76 D(28,23,24,29) -0.1677 estimate D2E/DX2 ! ! D77 D(22,27,30,31) -62.2241 estimate D2E/DX2 ! ! D78 D(22,27,30,34) 58.832 estimate D2E/DX2 ! ! D79 D(22,27,30,35) 178.1871 estimate D2E/DX2 ! ! D80 D(32,27,30,31) -179.9679 estimate D2E/DX2 ! ! D81 D(32,27,30,34) -58.9119 estimate D2E/DX2 ! ! D82 D(32,27,30,35) 60.4432 estimate D2E/DX2 ! ! D83 D(33,27,30,31) 60.1374 estimate D2E/DX2 ! ! D84 D(33,27,30,34) -178.8065 estimate D2E/DX2 ! ! D85 D(33,27,30,35) -59.4514 estimate D2E/DX2 ! ! D86 D(27,30,31,36) -179.3486 estimate D2E/DX2 ! ! D87 D(27,30,31,37) 60.7864 estimate D2E/DX2 ! ! D88 D(27,30,31,38) -59.6158 estimate D2E/DX2 ! ! D89 D(34,30,31,36) 59.5635 estimate D2E/DX2 ! ! D90 D(34,30,31,37) -60.3015 estimate D2E/DX2 ! ! D91 D(34,30,31,38) 179.2963 estimate D2E/DX2 ! ! D92 D(35,30,31,36) -59.6005 estimate D2E/DX2 ! ! D93 D(35,30,31,37) -179.4655 estimate D2E/DX2 ! ! D94 D(35,30,31,38) 60.1324 estimate D2E/DX2 ! ! D95 D(30,31,36,39) 59.9474 estimate D2E/DX2 ! ! D96 D(30,31,36,40) -60.101 estimate D2E/DX2 ! ! D97 D(30,31,36,41) 179.8631 estimate D2E/DX2 ! ! D98 D(37,31,36,39) -179.7735 estimate D2E/DX2 ! ! D99 D(37,31,36,40) 60.1781 estimate D2E/DX2 ! ! D100 D(37,31,36,41) -59.8578 estimate D2E/DX2 ! ! D101 D(38,31,36,39) -59.8677 estimate D2E/DX2 ! ! D102 D(38,31,36,40) -179.9161 estimate D2E/DX2 ! ! D103 D(38,31,36,41) 60.048 estimate D2E/DX2 ! ! D104 D(31,36,41,42) 60.0542 estimate D2E/DX2 ! ! D105 D(31,36,41,43) -59.9727 estimate D2E/DX2 ! ! D106 D(31,36,41,44) -179.9453 estimate D2E/DX2 ! ! D107 D(39,36,41,42) 179.9324 estimate D2E/DX2 ! ! D108 D(39,36,41,43) 59.9056 estimate D2E/DX2 ! ! D109 D(39,36,41,44) -60.067 estimate D2E/DX2 ! ! D110 D(40,36,41,42) -59.8953 estimate D2E/DX2 ! ! D111 D(40,36,41,43) -179.9222 estimate D2E/DX2 ! ! D112 D(40,36,41,44) 60.1052 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= 246 maximum allowed number of steps= 264. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.724000 -5.205000 1.793000 2 6 0 7.178000 -4.802000 3.212000 3 8 0 6.316000 -6.559000 1.797000 4 8 0 2.727000 -2.108000 0.085000 5 6 0 3.620000 -2.839000 0.510000 6 7 0 4.880000 -2.551000 0.199000 7 6 0 5.907000 -3.320000 0.640000 8 8 0 7.075000 -3.040000 0.338000 9 7 0 5.652000 -4.418000 1.401000 10 6 0 4.352000 -4.770000 1.754000 11 6 0 3.320000 -4.029000 1.347000 12 1 0 7.558000 -5.042000 1.094000 13 1 0 7.484000 -3.744000 3.211000 14 1 0 8.029000 -5.428000 3.515000 15 1 0 5.076000 -1.771000 -0.360000 16 1 0 4.195000 -5.629000 2.344000 17 6 0 1.908000 -4.422000 1.737000 18 1 0 6.348000 -4.943000 3.922000 19 1 0 7.089000 -7.128000 2.056000 20 6 0 1.685000 -5.633000 2.557000 21 6 0 0.454000 -5.995000 2.909000 22 6 0 -0.696000 -5.197000 2.488000 23 6 0 -0.508000 -4.102000 1.755000 24 6 0 0.846000 -3.699000 1.361000 25 1 0 2.507000 -6.221000 2.869000 26 1 0 0.307000 -6.866000 3.500000 27 6 0 -2.094000 -5.601000 2.897000 28 1 0 -1.346000 -3.517000 1.454000 29 1 0 0.974000 -2.827000 0.776000 30 6 0 -2.453000 -7.005000 2.336000 31 6 0 -2.442000 -7.009000 0.793000 32 1 0 -2.126000 -5.694000 3.992000 33 1 0 -2.824000 -4.856000 2.547000 34 1 0 -1.730000 -7.745000 2.709000 35 1 0 -3.461000 -7.278000 2.680000 36 6 0 -2.818000 -8.411000 0.293000 37 1 0 -1.441000 -6.748000 0.424000 38 1 0 -3.173000 -6.279000 0.418000 39 1 0 -3.822000 -8.673000 0.658000 40 1 0 -2.088000 -9.142000 0.669000 41 6 0 -2.812000 -8.420000 -1.243000 42 1 0 -1.809000 -8.157000 -1.608000 43 1 0 -3.542000 -7.687000 -1.616000 44 1 0 -3.082000 -9.423000 -1.604000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.543401 0.000000 3 O 1.414141 2.415019 0.000000 4 O 5.337104 6.070187 5.968523 0.000000 5 C 4.108389 4.879912 4.771078 1.229811 0.000000 6 N 3.603455 4.407491 4.547501 2.201057 1.329385 7 C 2.355870 3.229079 3.463676 3.448096 2.340647 8 O 2.632005 3.372704 3.884343 4.453957 3.465113 9 N 1.386440 2.399136 2.276311 3.952668 2.723260 10 C 2.411873 3.180104 2.657003 3.537291 2.410834 11 C 3.628927 4.354299 3.947077 2.373717 1.485486 12 H 1.100330 2.165161 2.082801 5.741515 4.549957 13 H 2.173211 1.101363 3.359739 5.922619 4.800513 14 H 2.172105 1.099039 2.676762 7.134319 5.930618 15 H 4.375348 5.134642 5.395850 2.414414 2.004360 16 H 2.622826 3.214909 2.379653 4.433458 3.387961 17 C 4.879557 5.485702 4.899065 2.958794 2.634836 18 H 2.177765 1.101309 2.669851 5.989277 4.848767 19 H 1.974924 2.598948 0.994168 6.936302 5.728839 20 C 5.114528 5.593982 4.783434 4.429692 3.967477 21 C 6.417356 6.835732 5.993136 5.315099 5.073371 22 C 7.452482 7.917075 7.176397 5.199352 5.300991 23 C 7.315728 7.854136 7.252971 4.150923 4.492836 24 C 6.083218 6.688575 6.187940 2.774458 3.026364 25 H 4.469130 4.893818 3.971386 4.971501 4.271016 26 H 6.844754 7.180089 6.253202 6.336970 6.011056 27 C 8.895659 9.311692 8.535565 6.584105 6.780576 28 H 8.251616 8.797748 8.250919 4.522032 5.100194 29 H 6.304893 6.951571 6.596001 2.016792 2.659364 30 C 9.367613 9.918505 8.796863 7.475293 7.587566 31 C 9.395210 10.162028 8.826839 7.158186 7.363208 32 H 9.132208 9.379151 8.765479 7.188578 7.300128 33 H 9.584082 10.024228 9.327503 6.665324 7.052857 34 H 8.874727 9.395037 8.183914 7.650228 7.584651 35 H 10.431602 10.936266 9.843088 8.470789 8.634476 36 C 10.177338 11.021137 9.440438 8.397505 8.517166 37 H 8.421534 9.265367 7.879841 6.246339 6.395420 38 H 10.049612 10.822715 9.592766 7.233127 7.614914 39 H 11.159452 11.937653 10.418510 9.290692 9.457316 40 H 9.716722 10.543301 8.864056 8.544146 8.504961 41 C 10.511366 11.521157 9.799250 8.502085 8.694320 42 H 9.648481 10.735669 8.953393 7.748029 7.889302 43 H 11.098304 12.105834 10.492908 8.562652 8.906022 44 H 11.202177 12.239898 10.396716 9.492441 9.629894 6 7 8 9 10 6 N 0.000000 7 C 1.356676 0.000000 8 O 2.253102 1.238478 0.000000 9 N 2.350846 1.360055 2.248062 0.000000 10 C 2.760574 2.400317 3.523164 1.392305 0.000000 11 C 2.436388 2.774004 4.012010 2.364838 1.334074 12 H 3.765341 2.428415 2.193816 2.028906 3.284512 13 H 4.156466 3.045775 2.986139 2.662067 3.603463 14 H 5.402702 4.148756 4.087296 3.337548 4.129699 15 H 0.979437 2.022365 2.468515 3.231022 3.739943 16 H 3.813703 3.341563 4.361348 2.116275 1.053864 17 C 3.833910 4.290666 5.528563 3.759049 2.468710 18 H 4.662340 3.687836 4.122499 2.667486 2.951977 19 H 5.410828 4.231199 4.434350 3.136574 3.625264 20 C 5.026620 5.181712 6.379632 4.306930 2.915899 21 C 6.228540 6.483764 7.692835 5.637393 4.246063 22 C 6.582751 7.108997 8.346472 6.487335 5.118925 23 C 5.818701 6.557970 7.787016 6.178250 4.905693 24 C 4.352161 5.126129 6.346751 4.859650 3.686940 25 H 5.121419 4.994421 6.114846 3.911120 2.598586 26 H 7.101278 7.218983 8.392994 6.242398 4.878909 27 C 8.075790 8.620499 9.857878 7.977344 6.599085 28 H 6.424271 7.301193 8.508010 7.055963 5.841850 29 H 3.958022 4.959439 6.120410 4.980521 4.017788 30 C 8.841820 9.292214 10.511708 8.559078 7.186235 31 C 8.592921 9.128961 10.321496 8.520316 7.217692 32 H 8.564423 9.022243 10.249577 8.296912 6.915700 33 H 8.377216 9.067872 10.303773 8.564329 7.220195 34 H 8.773245 9.065603 10.260930 8.202056 6.837644 35 H 9.903139 10.372405 11.595383 9.636504 8.257754 36 C 9.675104 10.107636 11.257047 9.429348 8.173145 37 H 7.590815 8.111162 9.288644 7.529547 6.264203 38 H 8.876754 9.552558 10.747978 9.072499 7.790225 39 H 10.649618 11.104430 12.271010 10.412192 9.124084 40 H 9.602875 9.890225 11.013834 9.097230 7.859084 41 C 9.782198 10.275050 11.366474 9.728619 8.580641 42 H 8.912643 9.380124 10.435328 8.871343 7.793121 43 H 10.030095 10.651001 11.753017 10.213632 9.065375 44 H 10.670925 11.094335 12.152313 10.505370 9.391003 11 12 13 14 15 11 C 0.000000 12 H 4.364725 0.000000 13 H 4.571063 2.484345 0.000000 14 H 5.369554 2.496413 1.795911 0.000000 15 H 3.331058 4.355902 4.737429 6.091755 0.000000 16 H 2.078373 3.635497 3.888758 4.013876 4.792905 17 C 1.516672 5.720170 5.807249 6.452903 4.632649 18 H 4.078579 3.077578 1.798226 1.796284 5.478603 19 H 4.930704 2.344526 3.597430 2.429461 6.211817 20 C 2.590394 6.081265 6.133876 6.419200 5.909553 21 C 3.810375 7.393866 7.387767 7.620325 7.063386 22 C 4.335246 8.372322 8.339445 8.788271 7.291403 23 C 3.850374 8.147446 8.131431 8.816816 6.409980 24 C 2.495951 6.850247 6.891122 7.695755 4.957008 25 H 2.789680 5.482086 5.569831 5.615928 6.068666 26 H 4.664992 7.854477 7.831969 7.854766 7.975085 27 C 5.846801 9.834856 9.761410 10.143322 8.757046 28 H 4.695226 9.040821 9.005969 9.787250 6.897912 29 H 2.697139 6.953877 7.010721 8.002521 4.385435 30 C 6.569796 10.276967 10.494938 10.665331 9.557668 31 C 6.510604 10.196062 10.725317 10.933924 9.235062 32 H 6.279106 10.129332 9.836898 10.169676 9.284322 33 H 6.314481 10.484833 10.389047 10.911087 8.965371 34 H 6.416089 9.807211 10.057723 10.062614 9.561855 35 H 7.636416 11.354887 11.513650 11.667897 10.604198 36 C 7.614978 10.938608 11.680189 11.702008 10.335920 37 H 5.559857 9.183754 9.820744 10.048760 8.237504 38 H 6.934305 10.823193 11.304810 11.653343 9.432569 39 H 8.546907 11.953186 12.595177 12.615018 11.307004 40 H 7.473213 10.489802 11.279333 11.146623 10.330217 41 C 7.974359 11.153894 12.153629 12.211384 10.354199 42 H 7.216582 10.234487 11.360334 11.422732 9.473211 43 H 8.321501 11.728177 12.665696 12.857616 10.528367 44 H 8.876330 11.818712 12.925774 12.869285 11.254048 16 17 18 19 20 16 H 0.000000 17 C 2.656251 0.000000 18 H 2.756100 4.975868 0.000000 19 H 3.271877 5.853799 2.967366 0.000000 20 C 2.519025 1.479409 4.907433 5.629320 0.000000 21 C 3.801087 2.441727 6.072241 6.784875 1.330530 22 C 4.912152 2.818766 7.192969 8.032534 2.421573 23 C 4.979644 2.437166 7.239330 8.183012 2.792206 24 C 3.988357 1.338637 6.195019 7.156544 2.423777 25 H 1.864251 2.208308 4.182747 4.741133 1.057720 26 H 4.240643 3.412405 6.353715 6.938970 2.075674 27 C 6.313328 4.330317 8.529417 9.347005 3.794399 28 H 5.996276 3.389341 8.205007 9.195159 3.857593 29 H 4.548040 2.083243 6.576827 7.584868 3.398694 30 C 6.788913 5.103823 9.177409 9.546900 4.365120 31 C 6.954119 5.148418 9.556312 9.615055 4.694380 32 H 6.532624 4.793346 8.507501 9.524740 4.072673 33 H 7.064354 4.820402 9.274900 10.181878 4.575468 34 H 6.302087 5.022167 8.635778 8.864641 4.018193 35 H 7.838778 6.154035 10.159295 10.569502 5.403931 36 C 7.818459 6.350774 10.450465 10.144107 5.754997 37 H 6.058305 4.283695 8.727116 8.693027 3.945224 38 H 7.643258 5.568193 10.232905 10.426528 5.347224 39 H 8.739612 7.215826 11.313509 11.108166 6.570757 40 H 7.390730 6.275909 9.968937 9.497226 5.487545 41 C 8.351904 6.866062 11.075755 10.515820 6.513860 42 H 7.619521 6.241421 10.365681 9.677714 5.993817 43 H 8.931861 7.183685 11.662379 11.261182 6.996740 44 H 9.106913 7.814882 11.812365 11.050424 7.375792 21 22 23 24 25 21 C 0.000000 22 C 1.461693 0.000000 23 C 2.416735 1.331036 0.000000 24 C 2.796709 2.427323 1.466615 0.000000 25 H 2.065789 3.384220 3.849855 3.375421 0.000000 26 H 1.062794 2.194474 3.368820 3.859499 2.377853 27 C 2.578310 1.511589 2.463039 3.823676 4.642670 28 H 3.390798 2.077031 1.065397 2.201508 4.915226 29 H 3.854389 3.367008 2.186410 1.057825 4.271999 30 C 3.130348 2.525672 3.542315 4.771128 5.049787 31 C 3.727260 3.033955 3.621664 4.699965 5.424327 32 H 2.814230 2.133993 3.186935 4.442406 4.796201 33 H 3.489076 2.155956 2.561179 4.026679 5.512392 34 H 2.805772 2.758677 3.959148 4.982268 4.505590 35 H 4.126228 3.465927 4.434277 5.753195 6.063827 36 C 4.835959 4.432912 5.103041 6.063701 6.307733 37 H 3.214539 2.687140 3.105377 3.924887 4.673592 38 H 4.409180 3.404578 3.691764 4.868060 6.186531 39 H 5.524750 5.020294 5.751526 6.857486 7.138422 40 H 4.624173 4.561738 5.392346 6.222015 5.872501 41 C 5.812614 5.365216 5.739472 6.515337 7.073606 42 H 5.495335 5.174706 5.426361 5.978106 6.513024 43 H 6.269490 5.580558 5.781092 6.634849 7.671687 44 H 6.679944 6.347955 6.798632 7.548813 7.842031 26 27 28 29 30 26 H 0.000000 27 C 2.780042 0.000000 28 H 4.258442 2.642879 0.000000 29 H 4.917173 4.648262 2.513600 0.000000 30 C 2.998636 1.553968 3.764242 5.624377 0.000000 31 C 3.860738 2.555462 3.719167 5.399858 1.543044 32 H 2.745020 1.099408 3.433537 5.307763 2.137285 33 H 3.840764 1.100193 2.274215 4.655973 2.190973 34 H 2.355354 2.182791 4.427015 5.935893 1.099754 35 H 3.878140 2.174421 4.485691 6.565504 1.099513 36 C 4.736824 3.898858 5.240796 6.767098 2.506773 37 H 3.539944 2.803167 3.392534 4.618481 2.178517 38 H 4.685477 2.787358 3.469851 5.407594 2.173522 39 H 5.328307 4.175678 5.774818 7.562490 2.733509 40 H 4.350950 4.183623 5.727776 7.019011 2.734755 41 C 5.885501 5.059831 5.784667 7.049242 3.865275 42 H 5.677658 5.187426 5.578514 6.468187 4.158963 43 H 6.454634 5.178346 5.624608 7.052341 4.155641 44 H 6.638854 5.986888 6.873565 8.100787 4.665401 31 32 33 34 35 31 C 0.000000 32 H 3.473137 0.000000 33 H 2.803186 1.810379 0.000000 34 H 2.172486 2.451429 3.093445 0.000000 35 H 2.161363 2.452065 2.507896 1.793123 0.000000 36 C 1.535246 4.641503 4.209344 2.732097 2.719358 37 H 1.098309 3.782957 3.162196 2.509732 3.074221 38 H 1.099039 3.769869 2.584448 3.078975 2.489496 39 H 2.165992 4.781884 4.374222 3.073150 2.482908 40 H 2.165729 4.788787 4.736916 2.498274 3.066553 41 C 2.504619 5.941961 5.202532 4.152668 4.137063 42 H 2.735579 6.125917 5.402856 4.337335 4.678535 43 H 2.733672 6.117742 5.085337 4.689598 4.316186 44 H 3.461590 6.792245 6.176962 4.821365 4.805967 36 37 38 39 40 36 C 0.000000 37 H 2.163067 0.000000 38 H 2.164965 1.794386 0.000000 39 H 1.099948 3.070756 2.491995 0.000000 40 H 1.099380 2.491961 3.071969 1.796340 0.000000 41 C 1.536038 2.730222 2.733701 2.167466 2.168226 42 H 2.167117 2.499946 3.080918 3.074603 2.496557 43 H 2.166249 3.075308 2.501156 2.494328 3.074470 44 H 2.166206 3.736481 3.739185 2.495344 2.496703 41 42 43 44 41 C 0.000000 42 H 1.099274 0.000000 43 H 1.099690 1.795621 0.000000 44 H 1.099650 1.795355 1.795951 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.244597 -1.629312 0.255853 2 6 0 -4.846541 -1.858826 -1.146671 3 8 0 -3.414699 -2.722737 0.595685 4 8 0 -1.439435 2.907346 0.441536 5 6 0 -2.054572 1.844810 0.370407 6 7 0 -3.329720 1.821500 0.745533 7 6 0 -4.059337 0.679171 0.687949 8 8 0 -5.245264 0.673645 1.044845 9 7 0 -3.479826 -0.472877 0.255859 10 6 0 -2.147101 -0.508355 -0.145512 11 6 0 -1.404546 0.599472 -0.112571 12 1 0 -5.065318 -1.511795 0.979272 13 1 0 -5.482985 -1.001239 -1.415902 14 1 0 -5.453004 -2.775353 -1.138557 15 1 0 -3.754885 2.641285 1.071852 16 1 0 -1.733694 -1.420787 -0.472913 17 6 0 0.046315 0.549248 -0.551631 18 1 0 -4.037142 -1.961320 -1.886434 19 1 0 -3.964983 -3.550406 0.618533 20 6 0 0.631039 -0.732812 -1.002265 21 6 0 1.901938 -0.797832 -1.390718 22 6 0 2.737568 0.401364 -1.376693 23 6 0 2.221487 1.562041 -0.979016 24 6 0 0.822211 1.640078 -0.546699 25 1 0 0.039208 -1.609324 -1.017618 26 1 0 2.309818 -1.724385 -1.714236 27 6 0 4.178278 0.330948 -1.828686 28 1 0 2.829090 2.437183 -0.975297 29 1 0 0.431766 2.571360 -0.231645 30 6 0 4.994648 -0.641463 -0.932708 31 6 0 5.030099 -0.154799 0.531152 32 1 0 4.207447 -0.093139 -2.842588 33 1 0 4.632772 1.332726 -1.811336 34 1 0 4.544456 -1.643991 -0.974223 35 1 0 6.026015 -0.691514 -1.310471 36 6 0 5.860100 -1.139781 1.366549 37 1 0 4.010004 -0.105405 0.935193 38 1 0 5.491186 0.841812 0.576446 39 1 0 6.883472 -1.187885 0.966196 40 1 0 5.400257 -2.137307 1.320470 41 6 0 5.901712 -0.658332 2.824591 42 1 0 4.878956 -0.609028 3.224519 43 1 0 6.360812 0.340030 2.867242 44 1 0 6.496547 -1.361636 3.425229 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5128046 0.1122406 0.1064723 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1749.6830667423 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.90D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.067507336 A.U. after 16 cycles NFock= 16 Conv=0.76D-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) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -20.59635 -20.53941 -20.53494 -15.64252 -15.63752 Alpha occ. eigenvalues -- -11.41490 -11.37568 -11.34145 -11.31420 -11.26217 Alpha occ. eigenvalues -- -11.24790 -11.23971 -11.23597 -11.23053 -11.22892 Alpha occ. eigenvalues -- -11.22406 -11.21945 -11.21804 -11.21611 -11.21431 Alpha occ. eigenvalues -- -11.21112 -11.20901 -1.44536 -1.40341 -1.38647 Alpha occ. eigenvalues -- -1.30438 -1.27272 -1.15649 -1.10976 -1.07753 Alpha occ. eigenvalues -- -1.04094 -1.02184 -1.01474 -0.98314 -0.93885 Alpha occ. eigenvalues -- -0.92310 -0.91208 -0.86287 -0.83357 -0.82203 Alpha occ. eigenvalues -- -0.79824 -0.78573 -0.76872 -0.75787 -0.72494 Alpha occ. eigenvalues -- -0.70247 -0.68241 -0.67607 -0.66690 -0.65030 Alpha occ. eigenvalues -- -0.64261 -0.63691 -0.62607 -0.61943 -0.59905 Alpha occ. eigenvalues -- -0.59343 -0.58732 -0.58026 -0.57707 -0.56535 Alpha occ. eigenvalues -- -0.55672 -0.55049 -0.54822 -0.53669 -0.52770 Alpha occ. eigenvalues -- -0.51776 -0.51098 -0.49649 -0.48729 -0.48257 Alpha occ. eigenvalues -- -0.47157 -0.46911 -0.46488 -0.45689 -0.45156 Alpha occ. eigenvalues -- -0.43133 -0.42625 -0.42268 -0.37776 -0.33513 Alpha occ. eigenvalues -- -0.29324 Alpha virt. eigenvalues -- 0.09650 0.14643 0.15449 0.18603 0.19349 Alpha virt. eigenvalues -- 0.23131 0.23829 0.24336 0.24857 0.25911 Alpha virt. eigenvalues -- 0.26678 0.27903 0.29179 0.29565 0.30054 Alpha virt. eigenvalues -- 0.30246 0.30846 0.31246 0.31923 0.33382 Alpha virt. eigenvalues -- 0.33739 0.34366 0.35236 0.35347 0.36362 Alpha virt. eigenvalues -- 0.36646 0.37402 0.37759 0.38162 0.38986 Alpha virt. eigenvalues -- 0.39844 0.41215 0.41703 0.43058 0.43542 Alpha virt. eigenvalues -- 0.43999 0.45144 0.45634 0.46778 0.48927 Alpha virt. eigenvalues -- 0.50706 0.50807 0.52648 0.55869 0.56839 Alpha virt. eigenvalues -- 0.57642 0.58471 0.61662 0.67152 0.69074 Alpha virt. eigenvalues -- 0.69871 0.70436 0.71149 0.71942 0.72525 Alpha virt. eigenvalues -- 0.74114 0.74293 0.75175 0.76314 0.76513 Alpha virt. eigenvalues -- 0.76650 0.77072 0.78521 0.80188 0.80318 Alpha virt. eigenvalues -- 0.80602 0.81260 0.82705 0.83813 0.84460 Alpha virt. eigenvalues -- 0.85742 0.86614 0.87138 0.87769 0.88715 Alpha virt. eigenvalues -- 0.89104 0.89193 0.91177 0.92399 0.92735 Alpha virt. eigenvalues -- 0.94309 0.95217 0.95862 0.97578 0.98044 Alpha virt. eigenvalues -- 0.99926 1.00659 1.02278 1.02700 1.03073 Alpha virt. eigenvalues -- 1.04745 1.05523 1.06044 1.07243 1.09176 Alpha virt. eigenvalues -- 1.09673 1.10584 1.10752 1.11837 1.12086 Alpha virt. eigenvalues -- 1.12481 1.13077 1.13956 1.14508 1.14693 Alpha virt. eigenvalues -- 1.15015 1.16649 1.16965 1.17712 1.18447 Alpha virt. eigenvalues -- 1.18854 1.19206 1.19663 1.20739 1.21132 Alpha virt. eigenvalues -- 1.21798 1.22358 1.22646 1.23143 1.24487 Alpha virt. eigenvalues -- 1.25141 1.25994 1.26857 1.27839 1.28175 Alpha virt. eigenvalues -- 1.28978 1.30533 1.33081 1.33366 1.33913 Alpha virt. eigenvalues -- 1.35641 1.36629 1.37289 1.39773 1.39995 Alpha virt. eigenvalues -- 1.41710 1.41988 1.43288 1.44699 1.46778 Alpha virt. eigenvalues -- 1.50772 1.51950 1.52808 1.56444 1.56591 Alpha virt. eigenvalues -- 1.57065 1.60861 1.63001 1.64110 1.64964 Alpha virt. eigenvalues -- 1.65520 1.66315 1.66609 1.68931 1.69686 Alpha virt. eigenvalues -- 1.72543 1.72700 1.73712 1.74095 1.75501 Alpha virt. eigenvalues -- 1.77119 1.77240 1.78103 1.78952 1.79817 Alpha virt. eigenvalues -- 1.82514 1.84393 1.86108 1.88454 1.94087 Alpha virt. eigenvalues -- 1.95861 1.96103 2.01304 2.01884 2.03054 Alpha virt. eigenvalues -- 2.03572 2.06150 2.06791 2.08912 2.09464 Alpha virt. eigenvalues -- 2.09846 2.10583 2.11326 2.11996 2.13770 Alpha virt. eigenvalues -- 2.14865 2.17451 2.17844 2.19192 2.20240 Alpha virt. eigenvalues -- 2.21706 2.22458 2.24323 2.25010 2.26835 Alpha virt. eigenvalues -- 2.28527 2.28564 2.29777 2.30496 2.31404 Alpha virt. eigenvalues -- 2.31821 2.32787 2.34071 2.34467 2.36257 Alpha virt. eigenvalues -- 2.36922 2.38152 2.40083 2.42274 2.42643 Alpha virt. eigenvalues -- 2.44207 2.44848 2.48262 2.49485 2.51211 Alpha virt. eigenvalues -- 2.51795 2.52701 2.54052 2.54926 2.55096 Alpha virt. eigenvalues -- 2.57682 2.59623 2.59929 2.61000 2.63901 Alpha virt. eigenvalues -- 2.64648 2.67242 2.67600 2.68582 2.69885 Alpha virt. eigenvalues -- 2.70802 2.71392 2.72928 2.74380 2.75650 Alpha virt. eigenvalues -- 2.78028 2.78560 2.78810 2.80425 2.82397 Alpha virt. eigenvalues -- 2.84324 2.90403 2.90720 2.92866 2.94291 Alpha virt. eigenvalues -- 2.94681 2.96972 2.99041 2.99926 3.02599 Alpha virt. eigenvalues -- 3.03999 3.04682 3.05701 3.07383 3.07948 Alpha virt. eigenvalues -- 3.15010 3.15944 3.18265 3.22275 3.23793 Alpha virt. eigenvalues -- 3.26091 3.27586 3.30627 3.31599 3.35716 Alpha virt. eigenvalues -- 3.38401 3.46699 3.55431 3.71277 3.79194 Alpha virt. eigenvalues -- 3.91630 4.21672 4.40560 4.50240 4.50847 Alpha virt. eigenvalues -- 4.52843 4.55582 4.56683 4.59672 4.61102 Alpha virt. eigenvalues -- 4.66293 4.69190 4.73373 4.78094 4.79035 Alpha virt. eigenvalues -- 4.83071 4.86592 4.88537 4.95045 4.99720 Alpha virt. eigenvalues -- 5.07304 5.14302 5.21693 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.625696 0.382546 0.209158 0.000001 -0.000035 0.001718 2 C 0.382546 5.192554 -0.066586 -0.000000 0.000051 -0.000210 3 O 0.209158 -0.066586 8.433038 0.000000 0.000018 -0.000023 4 O 0.000001 -0.000000 0.000000 8.233973 0.591047 -0.100475 5 C -0.000035 0.000051 0.000018 0.591047 4.036886 0.264381 6 N 0.001718 -0.000210 -0.000023 -0.100475 0.264381 7.402471 7 C -0.033784 -0.000499 0.002221 0.000886 -0.026198 0.303358 8 O -0.003581 -0.001012 0.000246 -0.000027 0.000658 -0.087462 9 N 0.204738 -0.095337 -0.052037 -0.000022 -0.001966 -0.103859 10 C -0.026752 -0.002794 -0.008275 0.004579 -0.057663 -0.001338 11 C 0.000177 -0.000352 -0.000200 -0.081832 0.362855 -0.096902 12 H 0.426314 -0.052522 -0.029614 0.000000 -0.000025 0.000384 13 H -0.030632 0.374702 0.003265 0.000000 -0.000003 -0.000029 14 H -0.038613 0.383497 0.000933 0.000000 -0.000000 0.000002 15 H -0.000030 0.000003 0.000000 0.005150 -0.009187 0.304933 16 H -0.001666 -0.000248 0.009348 -0.000032 0.001802 -0.000284 17 C -0.000026 -0.000000 -0.000008 -0.007548 -0.016772 0.002322 18 H -0.029255 0.378754 0.000573 -0.000000 0.000007 -0.000010 19 H -0.023516 -0.000296 0.260763 -0.000000 -0.000001 0.000002 20 C -0.000020 -0.000001 -0.000013 0.000089 0.002919 -0.000026 21 C -0.000000 -0.000000 -0.000000 -0.000002 -0.000062 0.000000 22 C 0.000000 0.000000 0.000000 -0.000011 -0.000013 0.000000 23 C -0.000000 0.000000 -0.000000 0.000609 0.000260 0.000001 24 C 0.000002 -0.000000 0.000000 -0.019314 -0.010449 -0.000327 25 H 0.000019 0.000000 -0.000084 0.000001 -0.000121 -0.000001 26 H 0.000000 -0.000000 -0.000000 -0.000000 0.000001 -0.000000 27 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 28 H 0.000000 -0.000000 -0.000000 -0.000000 -0.000006 -0.000000 29 H 0.000000 -0.000000 -0.000000 0.010937 -0.000539 0.000259 30 C 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 31 C 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 32 H -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 33 H -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 34 H -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 35 H -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 36 C -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 37 H -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 38 H -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 39 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 40 H -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 41 C -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 42 H 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 43 H 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 44 H 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 7 8 9 10 11 12 1 C -0.033784 -0.003581 0.204738 -0.026752 0.000177 0.426314 2 C -0.000499 -0.001012 -0.095337 -0.002794 -0.000352 -0.052522 3 O 0.002221 0.000246 -0.052037 -0.008275 -0.000200 -0.029614 4 O 0.000886 -0.000027 -0.000022 0.004579 -0.081832 0.000000 5 C -0.026198 0.000658 -0.001966 -0.057663 0.362855 -0.000025 6 N 0.303358 -0.087462 -0.103859 -0.001338 -0.096902 0.000384 7 C 3.812237 0.619032 0.295198 -0.034391 0.002883 -0.006571 8 O 0.619032 8.228384 -0.108931 0.001390 0.000114 0.008653 9 N 0.295198 -0.108931 7.513336 0.213731 -0.028810 -0.047824 10 C -0.034391 0.001390 0.213731 4.848101 0.570506 0.004171 11 C 0.002883 0.000114 -0.028810 0.570506 5.207680 0.000070 12 H -0.006571 0.008653 -0.047824 0.004171 0.000070 0.460069 13 H 0.001408 0.002379 -0.001544 0.000285 0.000010 0.000123 14 H 0.000053 -0.000018 0.005776 -0.000083 0.000002 -0.001169 15 H -0.009659 0.003197 0.003219 -0.001028 0.005541 -0.000005 16 H 0.000893 -0.000059 -0.030527 0.374235 -0.020218 0.000248 17 C 0.000239 -0.000001 0.002327 -0.053144 0.392622 -0.000001 18 H 0.000057 -0.000012 -0.004108 0.002247 0.000201 0.003407 19 H -0.000010 0.000011 0.005643 0.000221 0.000018 -0.002844 20 C -0.000005 0.000000 0.000264 -0.010758 -0.046635 0.000000 21 C 0.000000 0.000000 -0.000007 0.000459 0.003948 0.000000 22 C -0.000000 -0.000000 0.000000 0.000011 0.000146 0.000000 23 C 0.000000 0.000000 0.000000 -0.000120 0.003895 0.000000 24 C 0.000002 -0.000000 -0.000097 0.005005 -0.045500 -0.000000 25 H -0.000002 -0.000000 0.000160 0.001135 -0.005875 -0.000001 26 H 0.000000 0.000000 0.000000 0.000012 -0.000135 -0.000000 27 C -0.000000 -0.000000 -0.000000 -0.000000 0.000001 -0.000000 28 H -0.000000 -0.000000 -0.000000 0.000002 -0.000089 -0.000000 29 H -0.000003 0.000000 0.000000 -0.000149 -0.005490 -0.000000 30 C 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 31 C -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 32 H 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 33 H -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 34 H 0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 35 H -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 36 C 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 37 H -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 38 H -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 39 H 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 40 H -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 41 C -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 42 H 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 43 H 0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 44 H 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 13 14 15 16 17 18 1 C -0.030632 -0.038613 -0.000030 -0.001666 -0.000026 -0.029255 2 C 0.374702 0.383497 0.000003 -0.000248 -0.000000 0.378754 3 O 0.003265 0.000933 0.000000 0.009348 -0.000008 0.000573 4 O 0.000000 0.000000 0.005150 -0.000032 -0.007548 -0.000000 5 C -0.000003 -0.000000 -0.009187 0.001802 -0.016772 0.000007 6 N -0.000029 0.000002 0.304933 -0.000284 0.002322 -0.000010 7 C 0.001408 0.000053 -0.009659 0.000893 0.000239 0.000057 8 O 0.002379 -0.000018 0.003197 -0.000059 -0.000001 -0.000012 9 N -0.001544 0.005776 0.003219 -0.030527 0.002327 -0.004108 10 C 0.000285 -0.000083 -0.001028 0.374235 -0.053144 0.002247 11 C 0.000010 0.000002 0.005541 -0.020218 0.392622 0.000201 12 H 0.000123 -0.001169 -0.000005 0.000248 -0.000001 0.003407 13 H 0.501552 -0.020030 -0.000000 -0.000001 0.000000 -0.022487 14 H -0.020030 0.535917 -0.000000 -0.000016 0.000000 -0.024018 15 H -0.000000 -0.000000 0.260683 0.000009 0.000015 0.000000 16 H -0.000001 -0.000016 0.000009 0.380438 -0.004805 0.000624 17 C 0.000000 0.000000 0.000015 -0.004805 4.693282 -0.000013 18 H -0.022487 -0.024018 0.000000 0.000624 -0.000013 0.525900 19 H 0.000030 0.001551 -0.000000 -0.000202 -0.000000 -0.000210 20 C -0.000000 0.000000 0.000001 0.003507 0.487881 0.000004 21 C 0.000000 0.000000 -0.000000 0.000337 -0.034004 0.000000 22 C 0.000000 -0.000000 0.000000 0.000003 -0.023367 0.000000 23 C -0.000000 -0.000000 -0.000000 -0.000002 -0.040981 0.000000 24 C -0.000000 0.000000 0.000000 -0.000118 0.638057 -0.000000 25 H -0.000000 0.000000 0.000000 0.003628 -0.030807 -0.000000 26 H 0.000000 0.000000 0.000000 -0.000012 0.001697 -0.000000 27 C 0.000000 -0.000000 -0.000000 -0.000000 0.000223 -0.000000 28 H -0.000000 0.000000 0.000000 0.000000 0.001144 -0.000000 29 H 0.000000 0.000000 0.000016 -0.000001 -0.014980 -0.000000 30 C 0.000000 -0.000000 0.000000 0.000000 0.000007 0.000000 31 C 0.000000 -0.000000 -0.000000 -0.000000 0.000005 0.000000 32 H -0.000000 0.000000 0.000000 0.000000 0.000019 -0.000000 33 H 0.000000 0.000000 -0.000000 0.000000 -0.000020 0.000000 34 H -0.000000 0.000000 0.000000 0.000000 -0.000004 -0.000000 35 H -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 36 C -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 37 H -0.000000 0.000000 -0.000000 -0.000000 -0.000031 -0.000000 38 H -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 39 H 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 40 H -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 41 C -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 42 H 0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 43 H 0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 44 H 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 19 20 21 22 23 24 1 C -0.023516 -0.000020 -0.000000 0.000000 -0.000000 0.000002 2 C -0.000296 -0.000001 -0.000000 0.000000 0.000000 -0.000000 3 O 0.260763 -0.000013 -0.000000 0.000000 -0.000000 0.000000 4 O -0.000000 0.000089 -0.000002 -0.000011 0.000609 -0.019314 5 C -0.000001 0.002919 -0.000062 -0.000013 0.000260 -0.010449 6 N 0.000002 -0.000026 0.000000 0.000000 0.000001 -0.000327 7 C -0.000010 -0.000005 0.000000 -0.000000 0.000000 0.000002 8 O 0.000011 0.000000 0.000000 -0.000000 0.000000 -0.000000 9 N 0.005643 0.000264 -0.000007 0.000000 0.000000 -0.000097 10 C 0.000221 -0.010758 0.000459 0.000011 -0.000120 0.005005 11 C 0.000018 -0.046635 0.003948 0.000146 0.003895 -0.045500 12 H -0.002844 0.000000 0.000000 0.000000 0.000000 -0.000000 13 H 0.000030 -0.000000 0.000000 0.000000 -0.000000 -0.000000 14 H 0.001551 0.000000 0.000000 -0.000000 -0.000000 0.000000 15 H -0.000000 0.000001 -0.000000 0.000000 -0.000000 0.000000 16 H -0.000202 0.003507 0.000337 0.000003 -0.000002 -0.000118 17 C -0.000000 0.487881 -0.034004 -0.023367 -0.040981 0.638057 18 H -0.000210 0.000004 0.000000 0.000000 0.000000 -0.000000 19 H 0.302053 0.000000 0.000000 -0.000000 0.000000 -0.000000 20 C 0.000000 4.930523 0.606087 -0.041993 -0.038067 -0.042400 21 C 0.000000 0.606087 4.911931 0.490408 -0.035326 -0.038091 22 C -0.000000 -0.041993 0.490408 4.821777 0.639290 -0.046208 23 C 0.000000 -0.038067 -0.035326 0.639290 4.957387 0.440957 24 C -0.000000 -0.042400 -0.038091 -0.046208 0.440957 5.018929 25 H 0.000001 0.373344 -0.028883 0.001930 0.000333 0.002907 26 H 0.000000 -0.031220 0.381962 -0.029769 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0.000002 5.142427 31 C 0.000000 0.000072 -0.058741 0.000045 -0.000000 0.340187 32 H -0.000002 0.000914 0.403749 0.000059 0.000002 -0.051273 33 H 0.000002 -0.000040 0.405279 0.003088 -0.000005 -0.035256 34 H 0.000002 0.000855 -0.037889 0.000002 -0.000000 0.395426 35 H -0.000000 -0.000028 -0.039484 -0.000003 -0.000000 0.397552 36 C 0.000000 -0.000002 0.004837 -0.000001 0.000000 -0.061413 37 H 0.000001 -0.000004 -0.005024 0.000005 -0.000002 -0.037007 38 H 0.000000 -0.000000 -0.002091 0.000093 -0.000000 -0.042442 39 H 0.000000 -0.000000 -0.000083 -0.000000 -0.000000 -0.003813 40 H -0.000000 -0.000001 -0.000054 0.000000 -0.000000 -0.003958 41 C -0.000000 0.000000 -0.000125 0.000000 -0.000000 0.005254 42 H 0.000000 -0.000000 0.000002 -0.000000 -0.000000 -0.000071 43 H -0.000000 -0.000000 -0.000001 0.000000 -0.000000 -0.000063 44 H -0.000000 0.000000 0.000001 -0.000000 0.000000 -0.000127 31 32 33 34 35 36 1 C 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 2 C 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 3 O 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 4 O 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 5 C -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 6 N 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 7 C -0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 8 O -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 9 N -0.000000 -0.000000 0.000000 0.000000 -0.000000 -0.000000 10 C -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 11 C -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 12 H -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 13 H 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 14 H -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 H -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 16 H -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 17 C 0.000005 0.000019 -0.000020 -0.000004 -0.000000 -0.000000 18 H 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 19 H 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 20 C -0.000057 -0.000043 -0.000026 0.000127 -0.000000 -0.000003 21 C -0.000400 -0.001967 0.002866 0.001201 -0.000027 -0.000031 22 C -0.007020 -0.045281 -0.051094 -0.005184 0.005615 0.000195 23 C -0.000177 0.000027 -0.000096 0.000321 -0.000024 0.000024 24 C 0.000008 -0.000094 0.000298 -0.000001 0.000001 0.000000 25 H 0.000000 -0.000002 0.000002 0.000002 -0.000000 0.000000 26 H 0.000072 0.000914 -0.000040 0.000855 -0.000028 -0.000002 27 C -0.058741 0.403749 0.405279 -0.037889 -0.039484 0.004837 28 H 0.000045 0.000059 0.003088 0.000002 -0.000003 -0.000001 29 H -0.000000 0.000002 -0.000005 -0.000000 -0.000000 0.000000 30 C 0.340187 -0.051273 -0.035256 0.395426 0.397552 -0.061413 31 C 5.125985 0.005060 -0.003181 -0.040986 -0.041189 0.347651 32 H 0.005060 0.545035 -0.020316 -0.001887 -0.002583 -0.000106 33 H -0.003181 -0.020316 0.522994 0.003565 -0.002399 -0.000075 34 H -0.040986 -0.001887 0.003565 0.555782 -0.026127 -0.003755 35 H -0.041189 -0.002583 -0.002399 -0.026127 0.551215 -0.003976 36 C 0.347651 -0.000106 -0.000075 -0.003755 -0.003976 5.079865 37 H 0.398072 -0.000006 0.000264 -0.001606 0.003816 -0.039970 38 H 0.396471 -0.000004 0.002148 0.004042 -0.002027 -0.041011 39 H -0.042603 -0.000003 0.000011 0.000327 0.002255 0.398660 40 H -0.042374 0.000002 -0.000002 0.002214 0.000361 0.398877 41 C -0.067900 0.000002 -0.000000 -0.000056 -0.000050 0.340297 42 H -0.004329 -0.000000 0.000000 0.000015 -0.000003 -0.039551 43 H -0.004674 0.000000 -0.000002 -0.000003 0.000017 -0.039855 44 H 0.005234 -0.000000 0.000000 0.000001 0.000001 -0.039597 37 38 39 40 41 42 1 C -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 2 C 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 3 O 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 4 O 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 C 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 6 N 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 C -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 8 O 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 9 N -0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 10 C -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 11 C -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 12 H 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 13 H -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 14 H 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 15 H -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 16 H -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 17 C -0.000031 0.000000 0.000000 -0.000000 -0.000000 0.000000 18 H -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 19 H -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 20 C 0.000017 -0.000000 0.000000 -0.000000 0.000000 0.000000 21 C 0.000617 0.000043 -0.000001 0.000004 0.000002 -0.000001 22 C 0.004304 -0.000221 -0.000013 0.000028 0.000000 -0.000008 23 C 0.000650 0.000455 -0.000001 0.000003 0.000002 -0.000002 24 C 0.000023 -0.000002 0.000000 -0.000000 -0.000000 0.000000 25 H 0.000001 0.000000 0.000000 -0.000000 -0.000000 0.000000 26 H -0.000004 -0.000000 -0.000000 -0.000001 0.000000 -0.000000 27 C -0.005024 -0.002091 -0.000083 -0.000054 -0.000125 0.000002 28 H 0.000005 0.000093 -0.000000 0.000000 0.000000 -0.000000 29 H -0.000002 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 30 C -0.037007 -0.042442 -0.003813 -0.003958 0.005254 -0.000071 31 C 0.398072 0.396471 -0.042603 -0.042374 -0.067900 -0.004329 32 H -0.000006 -0.000004 -0.000003 0.000002 0.000002 -0.000000 33 H 0.000264 0.002148 0.000011 -0.000002 -0.000000 0.000000 34 H -0.001606 0.004042 0.000327 0.002214 -0.000056 0.000015 35 H 0.003816 -0.002027 0.002255 0.000361 -0.000050 -0.000003 36 C -0.039970 -0.041011 0.398660 0.398877 0.340297 -0.039551 37 H 0.524864 -0.025494 0.004003 -0.002203 -0.003020 0.002599 38 H -0.025494 0.559072 -0.002374 0.004183 -0.003249 0.000208 39 H 0.004003 -0.002374 0.561857 -0.027799 -0.040068 0.004165 40 H -0.002203 0.004183 -0.027799 0.559637 -0.039540 -0.002657 41 C -0.003020 -0.003249 -0.040068 -0.039540 5.105842 0.391537 42 H 0.002599 0.000208 0.004165 -0.002657 0.391537 0.543632 43 H 0.000214 0.002572 -0.002663 0.004160 0.391429 -0.027065 44 H -0.000054 -0.000048 -0.002457 -0.002468 0.391616 -0.025677 43 44 1 C 0.000000 0.000000 2 C -0.000000 0.000000 3 O -0.000000 0.000000 4 O 0.000000 0.000000 5 C 0.000000 -0.000000 6 N 0.000000 -0.000000 7 C 0.000000 0.000000 8 O 0.000000 0.000000 9 N -0.000000 0.000000 10 C -0.000000 -0.000000 11 C 0.000000 0.000000 12 H 0.000000 -0.000000 13 H 0.000000 0.000000 14 H 0.000000 0.000000 15 H 0.000000 -0.000000 16 H -0.000000 0.000000 17 C 0.000000 0.000000 18 H -0.000000 0.000000 19 H -0.000000 0.000000 20 C -0.000000 0.000000 21 C -0.000000 -0.000000 22 C 0.000000 0.000000 23 C -0.000000 -0.000000 24 C -0.000000 0.000000 25 H -0.000000 -0.000000 26 H -0.000000 0.000000 27 C -0.000001 0.000001 28 H 0.000000 -0.000000 29 H -0.000000 0.000000 30 C -0.000063 -0.000127 31 C -0.004674 0.005234 32 H 0.000000 -0.000000 33 H -0.000002 0.000000 34 H -0.000003 0.000001 35 H 0.000017 0.000001 36 C -0.039855 -0.039597 37 H 0.000214 -0.000054 38 H 0.002572 -0.000048 39 H -0.002663 -0.002457 40 H 0.004160 -0.002468 41 C 0.391429 0.391616 42 H -0.027065 -0.025677 43 H 0.547756 -0.025827 44 H -0.025827 0.544220 Mulliken charges: 1 1 C 0.337541 2 C -0.492249 3 O -0.762722 4 O -0.638009 5 C 0.862156 6 N -0.888887 7 C 1.072658 8 O -0.662963 9 N -0.769325 10 C 0.170408 11 C -0.218630 12 H 0.237136 13 H 0.190971 14 H 0.156216 15 H 0.437141 16 H 0.283118 17 C 0.006671 18 H 0.168343 19 H 0.456784 20 C -0.199461 21 C -0.213508 22 C 0.053918 23 C -0.244742 24 C -0.245935 25 H 0.197667 26 H 0.202227 27 C -0.345848 28 H 0.201597 29 H 0.292730 30 C -0.311443 31 C -0.305159 32 H 0.168695 33 H 0.171999 34 H 0.153617 35 H 0.157087 36 C -0.301059 37 H 0.174973 38 H 0.149677 39 H 0.150601 40 H 0.151589 41 C -0.471972 42 H 0.157205 43 H 0.154005 44 H 0.155182 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.574677 2 C 0.023281 3 O -0.305938 4 O -0.638009 5 C 0.862156 6 N -0.451746 7 C 1.072658 8 O -0.662963 9 N -0.769325 10 C 0.453526 11 C -0.218630 17 C 0.006671 20 C -0.001794 21 C -0.011281 22 C 0.053918 23 C -0.043145 24 C 0.046795 27 C -0.005154 30 C -0.000739 31 C 0.019491 36 C 0.001130 41 C -0.005580 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147124283 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 35.86 SMaxX= 23.37 Shift= 10.361341 6.709295 5.371713 Box 1 Number 0 centers from 1 to 132: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.59D+01 RnKept= 2.14D+01 NSMCal= 8778 NSMKep= 5917 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 5917 NTPThr= 100 NPartT= 1 Incr= 59 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= 59. PRISM was handed 2146605578 working-precision words and 5917 shell-pairs IPart= 0 NShTot= 5917 NBatch= 61 AvBLen= 97.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 60. Electronic moments (au): -162.00000000 -0.20149615 -1.71621739 -0.63390065 -8318.49298715 -1314.12911417 -875.82519289 10.52634505 1.77840227 1.12039242 -14435.88297034 -292.92654921 -830.92173559 3592.56369268 7166.71093607 -6995.37807202 -4365.46642362 536.41394557 -329.76481421 2207.15475170 -726975.73032375 -27033.80946754 -15897.68727361 16814.20527645 -59632.07803350 -6558.24200387 -439.18865566 -13895.89985625 1763.58351836 -53802.47678828 -69754.90510285 -4558.28658790 5659.88522709 883.27456617 3706.23427852 Electronic spatial extent (au): = 10508.4473 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 162.00000000 0.00000000 0.00000000 0.00000000 8222.54628494 1220.31096284 774.45351862 -0.00000000 -0.00000000 0.00000000 14461.16178298 213.71756753 849.43292766 -3684.41616926 -7244.29877596 6934.89816598 4335.46285884 -539.85365291 335.96261828 -2204.20346709 695776.82495629 22912.11834413 12573.47154395 -15610.22424999 59841.61939458 7093.64186165 409.27468070 13721.61216282 -1717.13271996 48945.87173472 64027.74724413 3305.26862253 -5734.01704180 -1050.60674183 -3731.85449235 Total moments (au): -0.00000000 -0.20149615 -1.71621739 -0.63390065 -95.94670221 -93.81815133 -101.37167427 10.52634505 1.77840227 1.12039242 25.27881264 -79.20898167 18.51119207 -91.85247658 -77.58783989 -60.47990604 -30.00356479 -3.43970735 6.19780407 2.95128461 -31198.90536746 -4121.69112342 -3324.21572966 1203.98102646 209.54136108 535.39985779 -29.91397496 -174.28769343 46.45079840 -4856.60505356 -5727.15785872 -1253.01796537 -74.13181471 -167.33217566 -25.62021383 Traceless Quadrup. (au): 1.09880706 3.22735794 -4.32616500 10.52634505 1.77840227 1.12039242 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.5122 Y= -4.3622 Z= -1.6112 Tot= 4.6784 Quadrupole moment (field-independent basis, Debye-Ang): XX= -129.0516 YY= -126.1886 ZZ= -136.3484 XY= 14.1583 XZ= 2.3920 YZ= 1.5070 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 1.4779 YY= 4.3409 ZZ= -5.8188 XY= 14.1583 XZ= 2.3920 YZ= 1.5070 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 17.9925 YYY= -56.3779 ZZZ= 13.1756 XYY= -65.3771 XXY= -55.2240 XXZ= -43.0473 XZZ= -21.3554 YZZ= -2.4483 YYZ= 4.4114 XYZ= 2.1006 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -11751.0038 YYYY= -1552.4265 ZZZZ= -1252.0590 XXXY= 453.4770 XXXZ= 78.9233 YYYX= 201.6573 YYYZ= -11.2670 ZZZX= -65.6451 ZZZY= 17.4956 XXYY= -1829.2303 XXZZ= -2157.1223 YYZZ= -471.9466 XXYZ= -27.9216 YYXZ= -63.0253 ZZXY= -9.6498 N-N= 1.749683066742D+03 E-N=-5.814213705826D+03 KE= 9.885525119809D+02 Entering OneElI... OneElI was handed 2147192890 working-precision words. Calculate electrostatic properties NBasis = 374 MinDer = 0 MaxDer = 0 NGrid = 44 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 29.89 SMaxX= 23.37 Shift= 10.361341 6.709295 5.371713 Box 1 Number 0 centers from 1 to 132: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 2.99D+01 RnKept= 1.87D+01 NSMCal= 8778 NSMKep= 5114 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 225016 NTPThr= 100 NPartT= 12 Incr= 187 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= 187. PRISM was handed 178757422 working-precision words and 5114 shell-pairs PRISM was handed 178757422 working-precision words and 5114 shell-pairs PRISM was handed 178757422 working-precision words and 5114 shell-pairs PRISM was handed 178757422 working-precision words and 5114 shell-pairs PRISM was handed 178757422 working-precision words and 5114 shell-pairs PRISM was handed 178757422 working-precision words and 5114 shell-pairs PRISM was handed 178757422 working-precision words and 5114 shell-pairs PRISM was handed 178757422 working-precision words and 5114 shell-pairs PRISM was handed 178757422 working-precision words and 5114 shell-pairs PRISM was handed 178757422 working-precision words and 5114 shell-pairs PRISM was handed 178757422 working-precision words and 5114 shell-pairs PRISM was handed 178757422 working-precision words and 5114 shell-pairs IPart= 0 NShTot= 19712 NBatch= 448 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 5 NShTot= 18876 NBatch= 429 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 6 NShTot= 18700 NBatch= 425 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 7 NShTot= 18568 NBatch= 422 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 17776 NBatch= 404 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 9 NShTot= 18348 NBatch= 417 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 10 NShTot= 17952 NBatch= 408 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 3 NShTot= 19096 NBatch= 434 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 8 NShTot= 18436 NBatch= 419 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 1 NShTot= 19404 NBatch= 441 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 4 NShTot= 18920 NBatch= 430 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 2 NShTot= 19228 NBatch= 437 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 2245. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.012356 -0.295765 0.283410 2 Atom 0.018925 0.007982 -0.026907 3 Atom -0.076123 -1.741510 1.817633 4 Atom 0.893827 -0.449970 -0.443857 5 Atom 0.096043 0.340007 -0.436050 6 Atom -0.279192 -0.374100 0.653292 7 Atom 0.281007 0.093469 -0.374476 8 Atom -1.112539 1.485500 -0.372961 9 Atom -0.358776 -0.416729 0.775505 10 Atom -0.068577 0.380943 -0.312367 11 Atom 0.061912 0.043030 -0.104942 12 Atom -0.085209 0.121130 -0.035921 13 Atom 0.001260 -0.114670 0.113409 14 Atom 0.017578 -0.157095 0.139517 15 Atom 0.080764 -0.267949 0.187185 16 Atom 0.081088 -0.219340 0.138253 17 Atom -0.005331 0.189165 -0.183834 18 Atom -0.092760 0.143203 -0.050443 19 Atom -0.002441 -0.209575 0.212016 20 Atom 0.180865 0.060782 -0.241647 21 Atom 0.163542 0.083787 -0.247329 22 Atom 0.094166 0.185724 -0.279890 23 Atom 0.082400 0.160814 -0.243214 24 Atom 0.098739 0.234777 -0.333516 25 Atom -0.006948 -0.189696 0.196645 26 Atom 0.088534 -0.227269 0.138735 27 Atom -0.025300 0.014273 0.011027 28 Atom -0.001665 -0.182869 0.184534 29 Atom 0.105238 -0.238860 0.133622 30 Atom 0.003656 -0.014439 0.010782 31 Atom 0.024055 -0.018923 -0.005132 32 Atom 0.140930 0.084548 -0.225477 33 Atom 0.064403 -0.212014 0.147612 34 Atom 0.072154 -0.213155 0.141000 35 Atom -0.235457 0.145920 0.089537 36 Atom 0.007253 -0.003451 -0.003802 37 Atom -0.224249 0.144962 0.079287 38 Atom 0.071305 -0.211371 0.140066 39 Atom -0.228424 0.145283 0.083141 40 Atom 0.071018 -0.211766 0.140748 41 Atom 0.005735 -0.002884 -0.002851 42 Atom -0.230977 0.147147 0.083830 43 Atom 0.071899 -0.212392 0.140493 44 Atom 0.019925 -0.031020 0.011094 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.047000 -0.132839 0.116293 2 Atom -0.019728 0.000637 -0.009710 3 Atom -0.022429 -0.357140 0.576855 4 Atom -1.046394 -0.736811 0.377343 5 Atom 0.044861 -0.177559 0.193390 6 Atom -0.124092 0.291320 -0.257572 7 Atom 0.035276 -0.203398 0.104329 8 Atom 0.124358 0.263760 0.433362 9 Atom -0.029249 0.411266 -0.279962 10 Atom 0.082273 -0.064456 0.142075 11 Atom 0.080660 -0.035298 0.013867 12 Atom 0.014692 0.192698 -0.019538 13 Atom 0.189143 -0.064768 0.079364 14 Atom -0.201797 -0.001619 0.006371 15 Atom 0.245546 0.116292 -0.204237 16 Atom 0.174784 0.070293 -0.149406 17 Atom 0.101777 -0.038229 0.055399 18 Atom 0.026431 0.208370 -0.029688 19 Atom -0.247959 -0.003839 0.018334 20 Atom 0.027161 -0.135866 0.069595 21 Atom 0.016335 -0.136593 0.077527 22 Atom -0.033360 -0.134385 0.122986 23 Atom -0.016819 -0.118127 0.103540 24 Atom 0.015005 -0.146240 0.133746 25 Atom -0.250151 0.006160 -0.011392 26 Atom 0.172770 0.066974 -0.142549 27 Atom -0.007981 0.011391 0.011216 28 Atom -0.239697 0.005722 -0.006644 29 Atom 0.151097 0.053233 -0.133628 30 Atom 0.020287 -0.010071 0.012691 31 Atom 0.003692 -0.006825 -0.012577 32 Atom 0.003818 0.012228 -0.151750 33 Atom -0.158391 -0.000576 -0.006039 34 Atom -0.160802 -0.011526 -0.014334 35 Atom 0.020154 0.138005 -0.005956 36 Atom 0.005738 0.004213 -0.011457 37 Atom 0.018132 0.146240 -0.006074 38 Atom -0.165442 -0.010519 -0.014346 39 Atom 0.019257 0.145264 -0.006040 40 Atom -0.163839 -0.010385 -0.016412 41 Atom 0.002007 0.002132 -0.007413 42 Atom 0.017589 0.147186 -0.008799 43 Atom -0.166250 -0.007282 -0.016432 44 Atom 0.151196 -0.130219 0.151784 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.4634 2.226 0.794 0.742 0.4637 0.8821 0.0825 6 N(14) Bbb -0.3409 1.637 0.584 0.546 0.8415 -0.4094 -0.3526 Bcc 0.8043 -3.863 -1.378 -1.289 0.2773 -0.2329 0.9321 Baa -0.5403 2.595 0.926 0.866 0.6927 -0.6303 -0.3506 9 N(14) Bbb -0.4236 2.034 0.726 0.679 0.6581 0.7513 -0.0503 Bcc 0.9639 -4.629 -1.652 -1.544 0.2951 -0.1959 0.9352 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Tue May 7 10:00:06 2024, MaxMem= 2147483648 cpu: 1.4 elap: 0.2 FitSet: NAtFit= 44 NAtPot= 44 NAtFrz= 0 MDM= 48 TotChg= 0.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 8 1.40 4 8 1.40 5 6 1.50 6 7 1.50 7 6 1.50 8 8 1.40 9 7 1.50 10 6 1.50 11 6 1.50 12 1 1.20 13 1 1.20 14 1 1.20 15 1 1.20 16 1 1.20 17 6 1.50 18 1 1.20 19 1 1.20 20 6 1.50 21 6 1.50 22 6 1.50 23 6 1.50 24 6 1.50 25 1 1.20 26 1 1.20 27 6 1.50 28 1 1.20 29 1 1.20 30 6 1.50 31 6 1.50 32 1 1.20 33 1 1.20 34 1 1.20 35 1 1.20 36 6 1.50 37 1 1.20 38 1 1.20 39 1 1.20 40 1 1.20 41 6 1.50 42 1 1.20 43 1 1.20 44 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 -4.244597 -1.629312 0.255853 Atomic Center 2 is at -4.846541 -1.858826 -1.146671 Atomic Center 3 is at -3.414699 -2.722737 0.595685 Atomic Center 4 is at -1.439435 2.907346 0.441536 Atomic Center 5 is at -2.054572 1.844810 0.370407 Atomic Center 6 is at -3.329720 1.821500 0.745533 Atomic Center 7 is at -4.059337 0.679171 0.687949 Atomic Center 8 is at -5.245264 0.673645 1.044845 Atomic Center 9 is at -3.479826 -0.472877 0.255859 Atomic Center 10 is at -2.147101 -0.508355 -0.145512 Atomic Center 11 is at -1.404546 0.599472 -0.112571 Atomic Center 12 is at -5.065318 -1.511795 0.979272 Atomic Center 13 is at -5.482985 -1.001239 -1.415902 Atomic Center 14 is at -5.453004 -2.775353 -1.138557 Atomic Center 15 is at -3.754885 2.641285 1.071852 Atomic Center 16 is at -1.733694 -1.420787 -0.472913 Atomic Center 17 is at 0.046315 0.549248 -0.551631 Atomic Center 18 is at -4.037142 -1.961320 -1.886434 Atomic Center 19 is at -3.964983 -3.550406 0.618533 Atomic Center 20 is at 0.631039 -0.732812 -1.002265 Atomic Center 21 is at 1.901938 -0.797832 -1.390718 Atomic Center 22 is at 2.737568 0.401364 -1.376693 Atomic Center 23 is at 2.221487 1.562041 -0.979016 Atomic Center 24 is at 0.822211 1.640078 -0.546699 Atomic Center 25 is at 0.039208 -1.609324 -1.017618 Atomic Center 26 is at 2.309818 -1.724385 -1.714236 Atomic Center 27 is at 4.178278 0.330948 -1.828686 Atomic Center 28 is at 2.829090 2.437183 -0.975297 Atomic Center 29 is at 0.431766 2.571360 -0.231645 Atomic Center 30 is at 4.994648 -0.641463 -0.932708 Atomic Center 31 is at 5.030099 -0.154799 0.531152 Atomic Center 32 is at 4.207447 -0.093139 -2.842588 Atomic Center 33 is at 4.632772 1.332726 -1.811336 Atomic Center 34 is at 4.544456 -1.643991 -0.974223 Atomic Center 35 is at 6.026015 -0.691514 -1.310471 Atomic Center 36 is at 5.860100 -1.139781 1.366549 Atomic Center 37 is at 4.010004 -0.105405 0.935193 Atomic Center 38 is at 5.491186 0.841812 0.576446 Atomic Center 39 is at 6.883472 -1.187885 0.966196 Atomic Center 40 is at 5.400257 -2.137307 1.320470 Atomic Center 41 is at 5.901712 -0.658332 2.824591 Atomic Center 42 is at 4.878956 -0.609028 3.224519 Atomic Center 43 is at 6.360812 0.340030 2.867242 Atomic Center 44 is at 6.496547 -1.361636 3.425229 ESP Fit Center 45 is at -3.834908 -1.629312 2.315502 ESP Fit Center 46 is at -4.039753 -1.274510 2.315502 ESP Fit Center 47 is at -4.039753 -1.984113 2.315502 ESP Fit Center 48 is at -6.392623 -1.047379 0.020027 ESP Fit Center 49 is at -6.541889 -1.440960 0.020027 ESP Fit Center 50 is at -6.592627 -1.858826 0.020027 ESP Fit Center 51 is at -6.775315 -1.649059 -0.343035 ESP Fit Center 52 is at -6.775315 -2.068592 -0.343035 ESP Fit Center 53 is at -6.895623 -1.650454 -0.736981 ESP Fit Center 54 is at -6.946541 -1.858826 -1.146671 ESP Fit Center 55 is at -4.042906 -3.798973 -1.146671 ESP Fit Center 56 is at -3.679843 -3.604912 -1.146671 ESP Fit Center 57 is at -4.131214 -3.790266 -1.556360 ESP Fit Center 58 is at -3.757061 -3.606735 -1.556360 ESP Fit Center 59 is at -3.937760 -0.144682 -1.950306 ESP Fit Center 60 is at -6.775315 -2.068592 -1.950306 ESP Fit Center 61 is at -4.327497 -3.728254 -1.950306 ESP Fit Center 62 is at -4.227370 -0.226207 -2.313368 ESP Fit Center 63 is at -6.331465 -1.858826 -2.631595 ESP Fit Center 64 is at -6.271315 -2.277177 -2.631595 ESP Fit Center 65 is at -4.738892 -0.697105 -2.892757 ESP Fit Center 66 is at -5.993373 -1.644445 -2.892757 ESP Fit Center 67 is at -5.993373 -2.073206 -2.892757 ESP Fit Center 68 is at -5.838487 -2.473013 -2.892757 ESP Fit Center 69 is at -5.549633 -2.789870 -2.892757 ESP Fit Center 70 is at -5.165823 -2.980985 -2.892757 ESP Fit Center 71 is at -4.846541 -1.055190 -3.086818 ESP Fit Center 72 is at -5.248358 -1.162857 -3.086818 ESP Fit Center 73 is at -5.542509 -1.457008 -3.086818 ESP Fit Center 74 is at -5.650176 -1.858826 -3.086818 ESP Fit Center 75 is at -5.542509 -2.260643 -3.086818 ESP Fit Center 76 is at -5.248358 -2.554794 -3.086818 ESP Fit Center 77 is at -5.051386 -1.504024 -3.206320 ESP Fit Center 78 is at -5.256230 -1.858826 -3.206320 ESP Fit Center 79 is at -5.051386 -2.213627 -3.206320 ESP Fit Center 80 is at -3.414699 -2.722737 2.555685 ESP Fit Center 81 is at -3.007192 -2.722737 2.512854 ESP Fit Center 82 is at -3.210945 -2.369826 2.512854 ESP Fit Center 83 is at -3.618452 -2.369826 2.512854 ESP Fit Center 84 is at -3.822206 -2.722737 2.512854 ESP Fit Center 85 is at -3.618452 -3.075648 2.512854 ESP Fit Center 86 is at -3.210945 -3.075648 2.512854 ESP Fit Center 87 is at -2.617495 -2.722737 2.386234 ESP Fit Center 88 is at -2.724300 -2.324135 2.386234 ESP Fit Center 89 is at -3.016097 -2.032338 2.386234 ESP Fit Center 90 is at -3.414699 -1.925533 2.386234 ESP Fit Center 91 is at -3.813301 -2.032338 2.386234 ESP Fit Center 92 is at -4.105098 -2.324135 2.386234 ESP Fit Center 93 is at -4.211903 -2.722737 2.386234 ESP Fit Center 94 is at -4.105098 -3.121339 2.386234 ESP Fit Center 95 is at -3.813301 -3.413136 2.386234 ESP Fit Center 96 is at -3.414699 -3.519941 2.386234 ESP Fit Center 97 is at -3.016097 -3.413136 2.386234 ESP Fit Center 98 is at -2.724300 -3.121339 2.386234 ESP Fit Center 99 is at -2.262640 -2.722737 2.181358 ESP Fit Center 100 is at -2.340436 -2.306565 2.181358 ESP Fit Center 101 is at -2.563317 -1.946600 2.181358 ESP Fit Center 102 is at -2.901182 -1.691456 2.181358 ESP Fit Center 103 is at -3.308400 -1.575592 2.181358 ESP Fit Center 104 is at -4.547142 -2.934427 2.181358 ESP Fit Center 105 is at -3.308400 -3.869882 2.181358 ESP Fit Center 106 is at -2.901182 -3.754018 2.181358 ESP Fit Center 107 is at -2.563317 -3.498874 2.181358 ESP Fit Center 108 is at -2.340436 -3.138909 2.181358 ESP Fit Center 109 is at -1.958135 -2.722737 1.907181 ESP Fit Center 110 is at -2.017136 -2.312376 1.907181 ESP Fit Center 111 is at -2.189359 -1.935259 1.907181 ESP Fit Center 112 is at -2.460852 -1.621939 1.907181 ESP Fit Center 113 is at -2.809620 -4.047674 1.907181 ESP Fit Center 114 is at -2.460852 -3.823534 1.907181 ESP Fit Center 115 is at -2.189359 -3.510215 1.907181 ESP Fit Center 116 is at -2.017136 -3.133098 1.907181 ESP Fit Center 117 is at -1.717289 -2.722737 1.575685 ESP Fit Center 118 is at -1.770616 -2.300608 1.575685 ESP Fit Center 119 is at -1.927247 -1.905004 1.575685 ESP Fit Center 120 is at -2.505181 -4.155907 1.575685 ESP Fit Center 121 is at -2.177340 -3.884694 1.575685 ESP Fit Center 122 is at -1.927247 -3.540470 1.575685 ESP Fit Center 123 is at -1.770616 -3.144866 1.575685 ESP Fit Center 124 is at -1.550628 -2.722737 1.201358 ESP Fit Center 125 is at -1.597364 -2.307942 1.201358 ESP Fit Center 126 is at -2.605909 -4.402207 1.201358 ESP Fit Center 127 is at -2.252470 -4.180126 1.201358 ESP Fit Center 128 is at -1.957310 -3.884966 1.201358 ESP Fit Center 129 is at -1.735229 -3.531527 1.201358 ESP Fit Center 130 is at -1.597364 -3.137532 1.201358 ESP Fit Center 131 is at -1.465436 -2.722737 0.800561 ESP Fit Center 132 is at -2.501648 -4.444934 0.800561 ESP Fit Center 133 is at -2.152773 -4.208391 0.800561 ESP Fit Center 134 is at -1.862904 -3.902381 0.800561 ESP Fit Center 135 is at -1.645596 -3.541211 0.800561 ESP Fit Center 136 is at -1.511009 -3.141771 0.800561 ESP Fit Center 137 is at -2.501648 -4.444934 0.390809 ESP Fit Center 138 is at -2.152773 -4.208391 0.390809 ESP Fit Center 139 is at -1.862904 -3.902381 0.390809 ESP Fit Center 140 is at -1.645596 -3.541211 0.390809 ESP Fit Center 141 is at -1.511009 -3.141771 0.390809 ESP Fit Center 142 is at -2.605909 -4.402207 -0.009988 ESP Fit Center 143 is at -2.252470 -4.180126 -0.009988 ESP Fit Center 144 is at -1.957310 -3.884966 -0.009988 ESP Fit Center 145 is at -1.735229 -3.531527 -0.009988 ESP Fit Center 146 is at -1.597364 -3.137532 -0.009988 ESP Fit Center 147 is at -2.505181 -4.155907 -0.384315 ESP Fit Center 148 is at -2.177340 -3.884694 -0.384315 ESP Fit Center 149 is at -1.927247 -3.540470 -0.384315 ESP Fit Center 150 is at -1.770616 -3.144866 -0.384315 ESP Fit Center 151 is at -2.809620 -4.047674 -0.715811 ESP Fit Center 152 is at -2.460852 -3.823534 -0.715811 ESP Fit Center 153 is at -2.189359 -3.510215 -0.715811 ESP Fit Center 154 is at -2.017136 -3.133098 -0.715811 ESP Fit Center 155 is at -3.308400 -3.869882 -0.989988 ESP Fit Center 156 is at -2.901182 -3.754018 -0.989988 ESP Fit Center 157 is at -2.563317 -3.498874 -0.989988 ESP Fit Center 158 is at -2.340436 -3.138909 -0.989988 ESP Fit Center 159 is at -2.617495 -2.722737 -1.194864 ESP Fit Center 160 is at -3.414699 -3.519941 -1.194864 ESP Fit Center 161 is at -3.016097 -3.413136 -1.194864 ESP Fit Center 162 is at -2.724300 -3.121339 -1.194864 ESP Fit Center 163 is at -1.439435 2.907346 2.401536 ESP Fit Center 164 is at -1.031928 2.907346 2.358706 ESP Fit Center 165 is at -1.235681 3.260257 2.358706 ESP Fit Center 166 is at -1.643188 3.260257 2.358706 ESP Fit Center 167 is at -1.846942 2.907346 2.358706 ESP Fit Center 168 is at -1.643188 2.554435 2.358706 ESP Fit Center 169 is at -1.235681 2.554435 2.358706 ESP Fit Center 170 is at -0.642231 2.907346 2.232085 ESP Fit Center 171 is at -0.749036 3.305948 2.232085 ESP Fit Center 172 is at -1.040833 3.597745 2.232085 ESP Fit Center 173 is at -1.439435 3.704550 2.232085 ESP Fit Center 174 is at -1.838037 3.597745 2.232085 ESP Fit Center 175 is at -2.129833 3.305948 2.232085 ESP Fit Center 176 is at -2.236638 2.907346 2.232085 ESP Fit Center 177 is at -1.040833 2.216947 2.232085 ESP Fit Center 178 is at -0.749036 2.508744 2.232085 ESP Fit Center 179 is at -0.287376 2.907346 2.027210 ESP Fit Center 180 is at -0.365172 3.323518 2.027210 ESP Fit Center 181 is at -0.588053 3.683483 2.027210 ESP Fit Center 182 is at -0.925918 3.938627 2.027210 ESP Fit Center 183 is at -1.333136 4.054491 2.027210 ESP Fit Center 184 is at -1.754711 4.015426 2.027210 ESP Fit Center 185 is at -2.133705 3.826709 2.027210 ESP Fit Center 186 is at -2.418935 3.513827 2.027210 ESP Fit Center 187 is at -0.588053 2.131209 2.027210 ESP Fit Center 188 is at -0.365172 2.491174 2.027210 ESP Fit Center 189 is at 0.017129 2.907346 1.753032 ESP Fit Center 190 is at -0.041872 3.317708 1.753032 ESP Fit Center 191 is at -0.214095 3.694824 1.753032 ESP Fit Center 192 is at -0.485588 4.008144 1.753032 ESP Fit Center 193 is at -0.834356 4.232283 1.753032 ESP Fit Center 194 is at -1.232144 4.349084 1.753032 ESP Fit Center 195 is at -1.646725 4.349084 1.753032 ESP Fit Center 196 is at -2.044513 4.232283 1.753032 ESP Fit Center 197 is at -2.393281 4.008144 1.753032 ESP Fit Center 198 is at -0.214095 2.119868 1.753032 ESP Fit Center 199 is at -0.041872 2.496985 1.753032 ESP Fit Center 200 is at 0.257975 2.907346 1.421536 ESP Fit Center 201 is at 0.204648 3.329475 1.421536 ESP Fit Center 202 is at 0.048017 3.725080 1.421536 ESP Fit Center 203 is at -0.202076 4.069303 1.421536 ESP Fit Center 204 is at -0.529917 4.340517 1.421536 ESP Fit Center 205 is at -0.914906 4.521679 1.421536 ESP Fit Center 206 is at -1.332853 4.601406 1.421536 ESP Fit Center 207 is at -1.757498 4.574690 1.421536 ESP Fit Center 208 is at -2.162157 4.443208 1.421536 ESP Fit Center 209 is at -2.521404 4.215223 1.421536 ESP Fit Center 210 is at -0.202076 1.745389 1.421536 ESP Fit Center 211 is at 0.048017 2.089613 1.421536 ESP Fit Center 212 is at 0.240035 3.716136 1.047210 ESP Fit Center 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ESP Fit Center 991 is at -3.159244 -2.761629 -3.074373 ESP Fit Center 992 is at -2.929421 -2.390453 -3.074373 ESP Fit Center 993 is at -3.197142 -1.961320 -3.341356 ESP Fit Center 994 is at -3.309681 -1.541320 -3.341356 ESP Fit Center 995 is at -3.617142 -1.233858 -3.341356 ESP Fit Center 996 is at -4.037142 -1.121320 -3.341356 ESP Fit Center 997 is at -4.457142 -1.233858 -3.341356 ESP Fit Center 998 is at -4.764603 -1.541320 -3.341356 ESP Fit Center 999 is at -4.877142 -1.961320 -3.341356 ESP Fit Center 1000 is at -4.764603 -2.381320 -3.341356 ESP Fit Center 1001 is at -4.457142 -2.688781 -3.341356 ESP Fit Center 1002 is at -4.037142 -2.801320 -3.341356 ESP Fit Center 1003 is at -3.617142 -2.688781 -3.341356 ESP Fit Center 1004 is at -3.309681 -2.381320 -3.341356 ESP Fit Center 1005 is at -3.602326 -1.961320 -3.509189 ESP Fit Center 1006 is at -3.819734 -1.584758 -3.509189 ESP Fit Center 1007 is at -4.254550 -1.584758 -3.509189 ESP Fit Center 1008 is at -4.471958 -1.961320 -3.509189 ESP Fit Center 1009 is at -4.254550 -2.337881 -3.509189 ESP Fit Center 1010 is at -3.819734 -2.337881 -3.509189 ESP Fit Center 1011 is at -4.037142 -1.961320 -3.566434 ESP Fit Center 1012 is at -3.964983 -3.550406 2.298533 ESP Fit Center 1013 is at -4.399799 -3.550406 2.241289 ESP Fit Center 1014 is at -4.182391 -3.926967 2.241289 ESP Fit Center 1015 is at -3.747575 -3.926967 2.241289 ESP Fit Center 1016 is at -4.692445 -3.130406 2.073456 ESP Fit Center 1017 is at -4.804983 -3.550406 2.073456 ESP Fit Center 1018 is at -4.692445 -3.970406 2.073456 ESP Fit Center 1019 is at -4.384983 -4.277867 2.073456 ESP Fit Center 1020 is at -3.964983 -4.390406 2.073456 ESP Fit Center 1021 is at -3.544983 -4.277867 2.073456 ESP Fit Center 1022 is at -5.132696 -3.332123 1.806473 ESP Fit Center 1023 is at -5.132696 -3.768689 1.806473 ESP Fit Center 1024 is at -4.974990 -4.175775 1.806473 ESP Fit Center 1025 is at -4.680877 -4.498402 1.806473 ESP Fit Center 1026 is at -4.290079 -4.692996 1.806473 ESP Fit Center 1027 is at -3.855374 -4.733278 1.806473 ESP Fit Center 1028 is at -3.435473 -4.613806 1.806473 ESP Fit Center 1029 is at -3.087086 -4.350715 1.806473 ESP Fit Center 1030 is at -5.403656 -3.333561 1.458533 ESP Fit Center 1031 is at -5.403656 -3.767251 1.458533 ESP Fit Center 1032 is at -5.275824 -4.181673 1.458533 ESP Fit Center 1033 is at -5.031517 -4.540005 1.458533 ESP Fit Center 1034 is at -4.692445 -4.810406 1.458533 ESP Fit Center 1035 is at -4.288734 -4.968851 1.458533 ESP Fit Center 1036 is at -3.856257 -5.001260 1.458533 ESP Fit Center 1037 is at -3.433441 -4.904755 1.458533 ESP Fit Center 1038 is at -3.057854 -4.687910 1.458533 ESP Fit Center 1039 is at -2.762870 -4.369993 1.458533 ESP Fit Center 1040 is at -5.532445 -3.130406 1.053349 ESP Fit Center 1041 is at -5.587739 -3.550406 1.053349 ESP Fit Center 1042 is at -5.532445 -3.970406 1.053349 ESP Fit Center 1043 is at -5.370331 -4.361783 1.053349 ESP Fit Center 1044 is at -5.112445 -4.697867 1.053349 ESP Fit Center 1045 is at -4.776361 -4.955753 1.053349 ESP Fit Center 1046 is at -4.384983 -5.117867 1.053349 ESP Fit Center 1047 is at -3.964983 -5.173161 1.053349 ESP Fit Center 1048 is at -3.544983 -5.117867 1.053349 ESP Fit Center 1049 is at -3.153606 -4.955753 1.053349 ESP Fit Center 1050 is at -2.817522 -4.697867 1.053349 ESP Fit Center 1051 is at -5.631736 -3.339846 0.618533 ESP Fit Center 1052 is at -5.631736 -3.760966 0.618533 ESP Fit Center 1053 is at -5.527008 -4.168855 0.618533 ESP Fit Center 1054 is at -5.324132 -4.537885 0.618533 ESP Fit Center 1055 is at -5.035856 -4.844868 0.618533 ESP Fit Center 1056 is at -4.680293 -5.070515 0.618533 ESP Fit Center 1057 is at -4.279784 -5.200648 0.618533 ESP Fit Center 1058 is at -3.859495 -5.227091 0.618533 ESP Fit Center 1059 is at -3.445835 -5.148181 0.618533 ESP Fit Center 1060 is at -3.064794 -4.968877 0.618533 ESP Fit Center 1061 is at -2.740316 -4.700445 0.618533 ESP Fit Center 1062 is at -5.532445 -3.970406 0.183717 ESP Fit Center 1063 is at 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-0.732812 0.743821 ESP Fit Center 1100 is at 1.718952 -0.311352 0.743821 ESP Fit Center 1101 is at -0.360908 -1.346999 0.743821 ESP Fit Center 1102 is at -0.072054 -1.663857 0.743821 ESP Fit Center 1103 is at 0.311757 -1.854972 0.743821 ESP Fit Center 1104 is at 0.738688 -1.894533 0.743821 ESP Fit Center 1105 is at 1.151080 -1.777197 0.743821 ESP Fit Center 1106 is at 1.493238 -1.518811 0.743821 ESP Fit Center 1107 is at 1.718952 -1.154272 0.743821 ESP Fit Center 1108 is at 0.842365 -2.202622 0.482659 ESP Fit Center 1109 is at 1.247898 -2.083547 0.482659 ESP Fit Center 1110 is at 1.603457 -1.855043 0.482659 ESP Fit Center 1111 is at 1.250209 -2.365431 0.164432 ESP Fit Center 1112 is at 1.150083 -2.602241 -0.198630 ESP Fit Center 1113 is at 1.346365 -2.664252 -0.592576 ESP Fit Center 1114 is at -1.064310 -0.314946 -2.168963 ESP Fit Center 1115 is at -1.115048 -0.732812 -2.168963 ESP Fit Center 1116 is at 0.842365 0.736998 -2.487189 ESP Fit Center 1117 is at -0.618159 0.069999 -2.487189 ESP Fit Center 1118 is at -0.793736 -0.314460 -2.487189 ESP Fit Center 1119 is at -0.853886 -0.732812 -2.487189 ESP Fit Center 1120 is at -0.793736 -1.151163 -2.487189 ESP Fit Center 1121 is at 0.738688 0.428909 -2.748351 ESP Fit Center 1122 is at 0.311757 0.389348 -2.748351 ESP Fit Center 1123 is at -0.072054 0.198233 -2.748351 ESP Fit Center 1124 is at -0.360908 -0.118625 -2.748351 ESP Fit Center 1125 is at -0.515794 -0.518432 -2.748351 ESP Fit Center 1126 is at -0.515794 -0.947192 -2.748351 ESP Fit Center 1127 is at -0.360908 -1.346999 -2.748351 ESP Fit Center 1128 is at -0.072054 -1.663857 -2.748351 ESP Fit Center 1129 is at 0.311757 -1.854972 -2.748351 ESP Fit Center 1130 is at 0.631039 0.070823 -2.942412 ESP Fit Center 1131 is at 0.229221 -0.036843 -2.942412 ESP Fit Center 1132 is at -0.064930 -0.330994 -2.942412 ESP Fit Center 1133 is at -0.172597 -0.732812 -2.942412 ESP Fit Center 1134 is at -0.064930 -1.134630 -2.942412 ESP Fit Center 1135 is at 0.229221 -1.428780 -2.942412 ESP Fit Center 1136 is at 0.631039 -1.536447 -2.942412 ESP Fit Center 1137 is at 0.426194 -0.378010 -3.061914 ESP Fit Center 1138 is at 0.221349 -0.732812 -3.061914 ESP Fit Center 1139 is at 0.426194 -1.087614 -3.061914 ESP Fit Center 1140 is at 0.631039 -0.732812 -3.102265 ESP Fit Center 1141 is at 1.901938 -0.797832 0.709282 ESP Fit Center 1142 is at 2.311628 -0.797832 0.668931 ESP Fit Center 1143 is at 2.106783 -0.443030 0.668931 ESP Fit Center 1144 is at 2.106783 -1.152634 0.668931 ESP Fit Center 1145 is at 1.901938 0.005803 0.549429 ESP Fit Center 1146 is at 1.901938 -1.601467 0.549429 ESP Fit Center 1147 is at 2.303756 -1.493801 0.549429 ESP Fit Center 1148 is at 2.597907 -1.199650 0.549429 ESP Fit Center 1149 is at 2.009587 -1.959553 0.355368 ESP Fit Center 1150 is at 2.421980 -1.842217 0.355368 ESP Fit Center 1151 is at 2.764138 -1.583831 0.355368 ESP Fit Center 1152 is at 1.690611 -2.267642 0.094206 ESP Fit Center 1153 is at 2.113265 -2.267642 0.094206 ESP Fit Center 1154 is at 2.518798 -2.148567 0.094206 ESP Fit Center 1155 is at 2.874357 -1.920063 0.094206 ESP Fit Center 1156 is at 3.151136 -1.600643 0.094206 ESP Fit Center 1157 is at 1.691471 -2.531187 -0.224021 ESP Fit Center 1158 is at 2.112406 -2.531187 -0.224021 ESP Fit Center 1159 is at 0.910048 -2.234833 -2.557416 ESP Fit Center 1160 is at 0.929520 0.324399 -2.875642 ESP Fit Center 1161 is at 0.929520 -1.920063 -2.875642 ESP Fit Center 1162 is at 1.582656 0.324327 -3.136804 ESP Fit Center 1163 is at 1.198846 0.133213 -3.136804 ESP Fit Center 1164 is at 0.909992 -0.183645 -3.136804 ESP Fit Center 1165 is at 0.755106 -0.583452 -3.136804 ESP Fit Center 1166 is at 0.755106 -1.012212 -3.136804 ESP Fit Center 1167 is at 0.909992 -1.412019 -3.136804 ESP Fit Center 1168 is at 1.198846 -1.728877 -3.136804 ESP Fit Center 1169 is at 2.705573 -0.797832 -3.330865 ESP Fit Center 1170 is at 2.597907 -0.396015 -3.330865 ESP Fit Center 1171 is at 1.901938 0.005803 -3.330865 ESP Fit Center 1172 is at 1.500121 -0.101864 -3.330865 ESP Fit Center 1173 is at 1.205970 -0.396015 -3.330865 ESP Fit Center 1174 is at 1.098303 -0.797832 -3.330865 ESP Fit Center 1175 is at 1.205970 -1.199650 -3.330865 ESP Fit Center 1176 is at 1.500121 -1.493801 -3.330865 ESP Fit Center 1177 is at 2.597907 -1.199650 -3.330865 ESP Fit Center 1178 is at 2.311628 -0.797832 -3.450367 ESP Fit Center 1179 is at 2.106783 -0.443030 -3.450367 ESP Fit Center 1180 is at 1.697093 -0.443030 -3.450367 ESP Fit Center 1181 is at 1.492248 -0.797832 -3.450367 ESP Fit Center 1182 is at 1.697093 -1.152634 -3.450367 ESP Fit Center 1183 is at 2.106783 -1.152634 -3.450367 ESP Fit Center 1184 is at 1.901938 -0.797832 -3.490718 ESP Fit Center 1185 is at 2.041600 -0.000454 0.563454 ESP Fit Center 1186 is at 1.312794 0.819715 -2.861617 ESP Fit Center 1187 is at 2.845218 1.563084 -3.122779 ESP Fit Center 1188 is at 2.418286 1.523523 -3.122779 ESP Fit Center 1189 is at 2.034476 1.332408 -3.122779 ESP Fit Center 1190 is at 1.745622 1.015551 -3.122779 ESP Fit Center 1191 is at 1.590736 0.615744 -3.122779 ESP Fit Center 1192 is at 2.737568 1.204999 -3.316840 ESP Fit Center 1193 is at 2.335751 1.097332 -3.316840 ESP Fit Center 1194 is at 2.041600 0.803181 -3.316840 ESP Fit Center 1195 is at 1.933933 0.401364 -3.316840 ESP Fit Center 1196 is at 2.532724 0.756165 -3.436342 ESP Fit Center 1197 is at 2.327879 0.401364 -3.436342 ESP Fit Center 1198 is at 2.532724 0.046562 -3.436342 ESP Fit Center 1199 is at 2.221487 1.562041 1.120984 ESP Fit Center 1200 is at 2.631176 1.562041 1.080633 ESP Fit Center 1201 is at 2.426331 1.916842 1.080633 ESP Fit Center 1202 is at 2.426331 1.207239 1.080633 ESP Fit Center 1203 is at 3.025122 1.562041 0.961131 ESP Fit Center 1204 is at 2.917455 1.963858 0.961131 ESP Fit Center 1205 is at 2.623304 2.258009 0.961131 ESP Fit Center 1206 is at 2.221487 2.365676 0.961131 ESP Fit Center 1207 is at 2.221487 0.758405 0.961131 ESP Fit Center 1208 is at 2.623304 0.866072 0.961131 ESP Fit Center 1209 is at 3.388184 1.562041 0.767070 ESP Fit Center 1210 is at 3.309400 1.983500 0.767070 ESP Fit Center 1211 is at 3.083686 2.348040 0.767070 ESP Fit Center 1212 is at 2.741528 2.606425 0.767070 ESP Fit Center 1213 is at 2.329136 2.723761 0.767070 ESP Fit Center 1214 is at 2.329136 0.400320 0.767070 ESP Fit Center 1215 is at 3.706411 1.562041 0.505908 ESP Fit Center 1216 is at 3.646261 1.980392 0.505908 ESP Fit Center 1217 is at 2.010160 3.031850 0.505908 ESP Fit Center 1218 is at 1.503364 3.364392 -1.782651 ESP Fit Center 1219 is at 1.602316 3.194660 -2.145714 ESP Fit Center 1220 is at 1.229597 2.999041 -2.145714 ESP Fit Center 1221 is at 2.010160 3.031850 -2.463940 ESP Fit Center 1222 is at 1.604627 2.912775 -2.463940 ESP Fit Center 1223 is at 1.249068 2.684271 -2.463940 ESP Fit Center 1224 is at 0.972289 0.759230 -2.463940 ESP Fit Center 1225 is at 3.083686 2.348040 -2.725102 ESP Fit Center 1226 is at 2.741528 2.606425 -2.725102 ESP Fit Center 1227 is at 2.329136 2.723761 -2.725102 ESP Fit Center 1228 is at 1.902205 2.684200 -2.725102 ESP Fit Center 1229 is at 1.518394 2.493085 -2.725102 ESP Fit Center 1230 is at 1.229540 2.176228 -2.725102 ESP Fit Center 1231 is at 1.074654 1.776421 -2.725102 ESP Fit Center 1232 is at 1.074654 1.347661 -2.725102 ESP Fit Center 1233 is at 2.917455 1.963858 -2.919163 ESP Fit Center 1234 is at 2.623304 2.258009 -2.919163 ESP Fit Center 1235 is at 2.221487 2.365676 -2.919163 ESP Fit Center 1236 is at 1.819669 2.258009 -2.919163 ESP Fit Center 1237 is at 1.525518 1.963858 -2.919163 ESP Fit Center 1238 is at 1.417851 1.562041 -2.919163 ESP Fit Center 1239 is at 1.525518 1.160223 -2.919163 ESP Fit Center 1240 is at 2.426331 1.916842 -3.038665 ESP Fit Center 1241 is at 2.016642 1.916842 -3.038665 ESP Fit Center 1242 is at 1.811797 1.562041 -3.038665 ESP Fit Center 1243 is at 2.221487 1.562041 -3.079016 ESP Fit Center 1244 is at 0.822211 1.640078 1.553301 ESP Fit Center 1245 is at 1.231900 1.640078 1.512950 ESP Fit Center 1246 is at 1.027056 1.994879 1.512950 ESP Fit Center 1247 is at 0.617366 1.994879 1.512950 ESP Fit Center 1248 is at 0.412521 1.640078 1.512950 ESP Fit Center 1249 is at 0.617366 1.285276 1.512950 ESP Fit Center 1250 is at 1.027056 1.285276 1.512950 ESP Fit Center 1251 is at 1.625846 1.640078 1.393448 ESP Fit Center 1252 is at 1.518179 2.041895 1.393448 ESP Fit Center 1253 is at 1.224028 2.336046 1.393448 ESP Fit Center 1254 is at 0.126242 2.041895 1.393448 ESP Fit Center 1255 is at 0.018575 1.640078 1.393448 ESP Fit Center 1256 is at 0.822211 0.836443 1.393448 ESP Fit Center 1257 is at 1.224028 0.944109 1.393448 ESP Fit Center 1258 is at 1.518179 1.238260 1.393448 ESP Fit Center 1259 is at 1.988908 1.640078 1.199387 ESP Fit Center 1260 is at 1.910124 2.061538 1.199387 ESP Fit Center 1261 is at 1.684411 2.426077 1.199387 ESP Fit Center 1262 is at 1.342253 2.684463 1.199387 ESP Fit Center 1263 is at 1.342253 0.595693 1.199387 ESP Fit Center 1264 is at 1.684411 0.854079 1.199387 ESP Fit Center 1265 is at 1.910124 1.218618 1.199387 ESP Fit Center 1266 is at 2.071408 2.442888 0.938225 ESP Fit Center 1267 is at 1.794629 2.762309 0.938225 ESP Fit Center 1268 is at 1.794629 0.517847 0.938225 ESP Fit Center 1269 is at 1.814101 3.077079 0.619998 ESP Fit Center 1270 is at 1.814101 0.203077 0.619998 ESP Fit Center 1271 is at 1.341255 3.509506 -1.350334 ESP Fit Center 1272 is at 1.032678 3.373433 -1.713397 ESP Fit Center 1273 is at 0.611743 3.373433 -1.713397 ESP Fit Center 1274 is at -0.484754 2.797947 -1.713397 ESP Fit Center 1275 is at -0.723872 2.451524 -1.713397 ESP Fit Center 1276 is at -0.873137 2.057944 -1.713397 ESP Fit Center 1277 is at 1.033537 3.109888 -2.031623 ESP Fit Center 1278 is at 0.610884 3.109888 -2.031623 ESP Fit Center 1279 is at 0.205351 2.990812 -2.031623 ESP Fit Center 1280 is at -0.150208 2.762309 -2.031623 ESP Fit Center 1281 is at -0.426987 2.442888 -2.031623 ESP Fit Center 1282 is at -0.602564 2.058429 -2.031623 ESP Fit Center 1283 is at 0.929860 2.801798 -2.292785 ESP Fit Center 1284 is at 0.502929 2.762237 -2.292785 ESP Fit Center 1285 is at 0.119118 2.571122 -2.292785 ESP Fit Center 1286 is at -0.169735 2.254265 -2.292785 ESP Fit Center 1287 is at -0.324622 1.854458 -2.292785 ESP Fit Center 1288 is at 0.822211 2.443713 -2.486846 ESP Fit Center 1289 is at 0.420393 2.336046 -2.486846 ESP Fit Center 1290 is at 0.126242 2.041895 -2.486846 ESP Fit Center 1291 is at 0.018575 1.640078 -2.486846 ESP Fit Center 1292 is at 0.822211 0.836443 -2.486846 ESP Fit Center 1293 is at 0.617366 1.994879 -2.606348 ESP Fit Center 1294 is at 0.412521 1.640078 -2.606348 ESP Fit Center 1295 is at 0.617366 1.285276 -2.606348 ESP Fit Center 1296 is at 0.822211 1.640078 -2.646699 ESP Fit Center 1297 is at -0.178200 -1.985886 0.605138 ESP Fit Center 1298 is at -0.380792 -2.336785 0.437305 ESP Fit Center 1299 is at 0.039208 -2.449324 0.437305 ESP Fit Center 1300 is at 0.459208 -2.336785 0.437305 ESP Fit Center 1301 is at -0.676685 -2.557320 0.170322 ESP Fit Center 1302 is at -0.285887 -2.751915 0.170322 ESP Fit Center 1303 is at 0.148818 -2.792196 0.170322 ESP Fit Center 1304 is at 0.568719 -2.672724 0.170322 ESP Fit Center 1305 is at -0.688253 -2.869324 -0.177618 ESP Fit Center 1306 is at -0.284542 -3.027769 -0.177618 ESP Fit Center 1307 is at 0.147935 -3.060178 -0.177618 ESP Fit Center 1308 is at 0.570751 -2.963673 -0.177618 ESP Fit Center 1309 is at 0.946338 -2.746828 -0.177618 ESP Fit Center 1310 is at -0.772169 -3.014671 -0.582802 ESP Fit Center 1311 is at -0.380792 -3.176785 -0.582802 ESP Fit Center 1312 is at 0.039208 -3.232079 -0.582802 ESP Fit Center 1313 is at 0.459208 -3.176785 -0.582802 ESP Fit Center 1314 is at 0.850586 -3.014671 -0.582802 ESP Fit Center 1315 is at 1.186670 -2.756785 -0.582802 ESP Fit Center 1316 is at -1.031664 -2.903786 -1.017618 ESP Fit Center 1317 is at -0.676101 -3.129433 -1.017618 ESP Fit Center 1318 is at -0.275592 -3.259567 -1.017618 ESP Fit Center 1319 is at 0.144696 -3.286009 -1.017618 ESP Fit Center 1320 is at 0.558357 -3.207099 -1.017618 ESP Fit Center 1321 is at 0.939397 -3.027795 -1.017618 ESP Fit Center 1322 is at -1.108253 -2.756785 -1.452434 ESP Fit Center 1323 is at -0.772169 -3.014671 -1.452434 ESP Fit Center 1324 is at -0.380792 -3.176785 -1.452434 ESP Fit Center 1325 is at 0.039208 -3.232079 -1.452434 ESP Fit Center 1326 is at 0.459208 -3.176785 -1.452434 ESP Fit Center 1327 is at 0.850586 -3.014671 -1.452434 ESP Fit Center 1328 is at -1.027325 -2.598923 -1.857618 ESP Fit Center 1329 is at -0.688253 -2.869324 -1.857618 ESP Fit Center 1330 is at -0.284542 -3.027769 -1.857618 ESP Fit Center 1331 is at 0.147935 -3.060178 -1.857618 ESP Fit Center 1332 is at 0.570751 -2.963673 -1.857618 ESP Fit Center 1333 is at 0.946338 -2.746828 -1.857618 ESP Fit Center 1334 is at -1.128504 -1.391041 -2.205557 ESP Fit Center 1335 is at -1.128504 -1.827607 -2.205557 ESP Fit Center 1336 is at -0.970798 -2.234694 -2.205557 ESP Fit Center 1337 is at -0.676685 -2.557320 -2.205557 ESP Fit Center 1338 is at -0.285887 -2.751915 -2.205557 ESP Fit Center 1339 is at 0.148818 -2.792196 -2.205557 ESP Fit Center 1340 is at 0.568719 -2.672724 -2.205557 ESP Fit Center 1341 is at -0.800792 -1.609324 -2.472540 ESP Fit Center 1342 is at -0.688253 -2.029324 -2.472540 ESP Fit Center 1343 is at -0.380792 -2.336785 -2.472540 ESP Fit Center 1344 is at 0.039208 -2.449324 -2.472540 ESP Fit Center 1345 is at 0.459208 -2.336785 -2.472540 ESP Fit Center 1346 is at -0.395608 -1.609324 -2.640373 ESP Fit Center 1347 is at -0.178200 -1.985886 -2.640373 ESP Fit Center 1348 is at 2.309818 -2.564385 -0.259314 ESP Fit Center 1349 is at 2.729818 -2.451847 -0.259314 ESP Fit Center 1350 is at 1.984723 -2.866976 -0.526297 ESP Fit Center 1351 is at 2.419428 -2.907257 -0.526297 ESP Fit Center 1352 is at 2.839328 -2.787785 -0.526297 ESP Fit Center 1353 is at 1.582357 -2.984385 -0.874236 ESP Fit Center 1354 is at 1.986068 -3.142830 -0.874236 ESP Fit Center 1355 is at 2.418545 -3.175240 -0.874236 ESP Fit Center 1356 is at 2.841361 -3.078735 -0.874236 ESP Fit Center 1357 is at 3.216948 -2.861890 -0.874236 ESP Fit Center 1358 is at 1.162357 -2.871847 -1.279420 ESP Fit Center 1359 is at 1.498441 -3.129733 -1.279420 ESP Fit Center 1360 is at 1.889818 -3.291847 -1.279420 ESP Fit Center 1361 is at 2.309818 -3.347141 -1.279420 ESP Fit Center 1362 is at 2.729818 -3.291847 -1.279420 ESP Fit Center 1363 is at 3.121196 -3.129733 -1.279420 ESP Fit Center 1364 is at 1.238946 -3.018847 -1.714236 ESP Fit Center 1365 is at 1.594509 -3.244495 -1.714236 ESP Fit Center 1366 is at 1.995018 -3.374628 -1.714236 ESP Fit Center 1367 is at 2.415306 -3.401070 -1.714236 ESP Fit Center 1368 is at 2.828967 -3.322160 -1.714236 ESP Fit Center 1369 is at 3.210007 -3.142856 -1.714236 ESP Fit Center 1370 is at 3.534486 -2.874424 -1.714236 ESP Fit Center 1371 is at 0.904471 -2.535763 -2.149052 ESP Fit Center 1372 is at 1.162357 -2.871847 -2.149052 ESP Fit Center 1373 is at 1.498441 -3.129733 -2.149052 ESP Fit Center 1374 is at 1.889818 -3.291847 -2.149052 ESP Fit Center 1375 is at 2.309818 -3.347141 -2.149052 ESP Fit Center 1376 is at 2.729818 -3.291847 -2.149052 ESP Fit Center 1377 is at 3.121196 -3.129733 -2.149052 ESP Fit Center 1378 is at 3.457280 -2.871847 -2.149052 ESP Fit Center 1379 is at 3.715166 -2.535763 -2.149052 ESP Fit Center 1380 is at 3.764741 -1.724385 -2.554236 ESP Fit Center 1381 is at 0.998978 -2.355653 -2.554236 ESP Fit Center 1382 is at 1.243285 -2.713984 -2.554236 ESP Fit Center 1383 is at 1.582357 -2.984385 -2.554236 ESP Fit Center 1384 is at 1.986068 -3.142830 -2.554236 ESP Fit Center 1385 is at 2.418545 -3.175240 -2.554236 ESP Fit Center 1386 is at 2.841361 -3.078735 -2.554236 ESP Fit Center 1387 is at 3.216948 -2.861890 -2.554236 ESP Fit Center 1388 is at 3.511932 -2.543972 -2.554236 ESP Fit Center 1389 is at 3.700103 -2.153231 -2.554236 ESP Fit Center 1390 is at 3.497758 -1.724385 -2.902176 ESP Fit Center 1391 is at 1.299812 -2.349755 -2.902176 ESP Fit Center 1392 is at 1.593925 -2.672381 -2.902176 ESP Fit Center 1393 is at 1.984723 -2.866976 -2.902176 ESP Fit Center 1394 is at 2.419428 -2.907257 -2.902176 ESP Fit Center 1395 is at 2.839328 -2.787785 -2.902176 ESP Fit Center 1396 is at 3.187716 -2.524695 -2.902176 ESP Fit Center 1397 is at 3.417539 -2.153518 -2.902176 ESP Fit Center 1398 is at 3.149818 -1.724385 -3.169159 ESP Fit Center 1399 is at 3.037280 -1.304385 -3.169159 ESP Fit Center 1400 is at 1.582357 -2.144385 -3.169159 ESP Fit Center 1401 is at 1.889818 -2.451847 -3.169159 ESP Fit Center 1402 is at 2.309818 -2.564385 -3.169159 ESP Fit Center 1403 is at 2.729818 -2.451847 -3.169159 ESP Fit Center 1404 is at 3.037280 -2.144385 -3.169159 ESP Fit Center 1405 is at 2.744634 -1.724385 -3.336992 ESP Fit Center 1406 is at 2.527226 -1.347824 -3.336992 ESP Fit Center 1407 is at 1.875002 -1.724385 -3.336992 ESP Fit Center 1408 is at 2.092410 -2.100947 -3.336992 ESP Fit Center 1409 is at 2.527226 -2.100947 -3.336992 ESP Fit Center 1410 is at 2.309818 -1.724385 -3.394236 ESP Fit Center 1411 is at 6.195766 0.745552 -2.238375 ESP Fit Center 1412 is at 6.073066 0.748022 -2.632321 ESP Fit Center 1413 is at 5.924364 0.330948 -2.995383 ESP Fit Center 1414 is at 5.873626 0.748814 -2.995383 ESP Fit Center 1415 is at 3.559107 1.963567 -2.995383 ESP Fit Center 1416 is at 3.186388 1.767949 -2.995383 ESP Fit Center 1417 is at 5.603053 0.749299 -3.313610 ESP Fit Center 1418 is at 5.427476 1.133758 -3.313610 ESP Fit Center 1419 is at 3.966951 1.800758 -3.313610 ESP Fit Center 1420 is at 3.561418 1.681682 -3.313610 ESP Fit Center 1421 is at 3.205860 1.453179 -3.313610 ESP Fit Center 1422 is at 4.698320 1.375333 -3.574772 ESP Fit Center 1423 is at 4.285927 1.492668 -3.574772 ESP Fit Center 1424 is at 3.858996 1.453107 -3.574772 ESP Fit Center 1425 is at 3.475186 1.261993 -3.574772 ESP Fit Center 1426 is at 3.263906 2.437183 0.647458 ESP Fit Center 1427 is at 3.046498 2.813745 0.647458 ESP Fit Center 1428 is at 3.669090 2.437183 0.479626 ESP Fit Center 1429 is at 3.556551 2.857183 0.479626 ESP Fit Center 1430 is at 3.249090 3.164645 0.479626 ESP Fit Center 1431 is at 2.829090 3.277183 0.479626 ESP Fit Center 1432 is at 2.409090 3.164645 0.479626 ESP Fit Center 1433 is at 4.017029 2.437183 0.212642 ESP Fit Center 1434 is at 3.936810 2.866316 0.212642 ESP Fit Center 1435 is at 3.706988 3.237493 0.212642 ESP Fit Center 1436 is at 3.358600 3.500583 0.212642 ESP Fit Center 1437 is at 2.938699 3.620055 0.212642 ESP Fit Center 1438 is at 2.503995 3.579774 0.212642 ESP Fit Center 1439 is at 2.113196 3.385179 0.212642 ESP Fit Center 1440 is at 3.936810 2.008050 0.212642 ESP Fit Center 1441 is at 4.284012 2.437183 -0.135297 ESP Fit Center 1442 is at 4.219374 2.866029 -0.135297 ESP Fit Center 1443 is at 4.031203 3.256770 -0.135297 ESP Fit Center 1444 is at 3.736219 3.574688 -0.135297 ESP Fit Center 1445 is at 3.360633 3.791533 -0.135297 ESP Fit Center 1446 is at 2.937816 3.888038 -0.135297 ESP Fit Center 1447 is at 2.505339 3.855628 -0.135297 ESP Fit Center 1448 is at 2.101628 3.697183 -0.135297 ESP Fit Center 1449 is at 4.219374 2.008337 -0.135297 ESP Fit Center 1450 is at 4.451845 2.437183 -0.540481 ESP Fit Center 1451 is at 4.396551 2.857183 -0.540481 ESP Fit Center 1452 is at 4.234437 3.248561 -0.540481 ESP Fit Center 1453 is at 3.976551 3.584645 -0.540481 ESP Fit Center 1454 is at 3.640467 3.842531 -0.540481 ESP Fit Center 1455 is at 3.249090 4.004645 -0.540481 ESP Fit Center 1456 is at 2.829090 4.059939 -0.540481 ESP Fit Center 1457 is at 2.409090 4.004645 -0.540481 ESP Fit Center 1458 is at 2.017712 3.842531 -0.540481 ESP Fit Center 1459 is at 4.456309 2.854982 -0.975297 ESP Fit Center 1460 is at 4.301285 3.246529 -0.975297 ESP Fit Center 1461 is at 4.053757 3.587222 -0.975297 ESP Fit Center 1462 is at 3.729279 3.855654 -0.975297 ESP Fit Center 1463 is at 3.348238 4.034958 -0.975297 ESP Fit Center 1464 is at 2.934578 4.113868 -0.975297 ESP Fit Center 1465 is at 2.514289 4.087426 -0.975297 ESP Fit Center 1466 is at 2.113781 3.957293 -0.975297 ESP Fit Center 1467 is at 1.758217 3.731645 -0.975297 ESP Fit Center 1468 is at 4.234437 3.248561 -1.410113 ESP Fit Center 1469 is at 3.976551 3.584645 -1.410113 ESP Fit Center 1470 is at 3.640467 3.842531 -1.410113 ESP Fit Center 1471 is at 3.249090 4.004645 -1.410113 ESP Fit Center 1472 is at 2.829090 4.059939 -1.410113 ESP Fit Center 1473 is at 2.409090 4.004645 -1.410113 ESP Fit Center 1474 is at 2.017712 3.842531 -1.410113 ESP Fit Center 1475 is at 1.681628 3.584645 -1.410113 ESP Fit Center 1476 is at 4.031203 3.256770 -1.815297 ESP Fit Center 1477 is at 3.736219 3.574688 -1.815297 ESP Fit Center 1478 is at 3.360633 3.791533 -1.815297 ESP Fit Center 1479 is at 2.937816 3.888038 -1.815297 ESP Fit Center 1480 is at 2.505339 3.855628 -1.815297 ESP Fit Center 1481 is at 2.101628 3.697183 -1.815297 ESP Fit Center 1482 is at 3.936810 2.866316 -2.163237 ESP Fit Center 1483 is at 3.706988 3.237493 -2.163237 ESP Fit Center 1484 is at 3.358600 3.500583 -2.163237 ESP Fit Center 1485 is at 2.938699 3.620055 -2.163237 ESP Fit Center 1486 is at 2.503995 3.579774 -2.163237 ESP Fit Center 1487 is at 2.113196 3.385179 -2.163237 ESP Fit Center 1488 is at 3.556551 2.857183 -2.430220 ESP Fit Center 1489 is at 3.249090 3.164645 -2.430220 ESP Fit Center 1490 is at 2.829090 3.277183 -2.430220 ESP Fit Center 1491 is at 2.409090 3.164645 -2.430220 ESP Fit Center 1492 is at 3.263906 2.437183 -2.598053 ESP Fit Center 1493 is at 3.046498 2.813745 -2.598053 ESP Fit Center 1494 is at 0.431766 2.571360 1.448355 ESP Fit Center 1495 is at 0.866582 2.571360 1.391110 ESP Fit Center 1496 is at 0.649174 2.947922 1.391110 ESP Fit Center 1497 is at 0.214358 2.194798 1.391110 ESP Fit Center 1498 is at 1.159227 2.991360 1.223278 ESP Fit Center 1499 is at 0.851766 3.298821 1.223278 ESP Fit Center 1500 is at 0.431766 3.411360 1.223278 ESP Fit Center 1501 is at 1.539486 3.000493 0.956294 ESP Fit Center 1502 is at 1.309664 3.371670 0.956294 ESP Fit Center 1503 is at 0.961276 3.634760 0.956294 ESP Fit Center 1504 is at 0.541375 3.754232 0.956294 ESP Fit Center 1505 is at 1.633879 3.390947 0.608355 ESP Fit Center 1506 is at 1.338895 3.708864 0.608355 ESP Fit Center 1507 is at 0.963309 3.925709 0.608355 ESP Fit Center 1508 is at 0.540492 4.022215 0.608355 ESP Fit Center 1509 is at 1.837113 3.382738 0.203171 ESP Fit Center 1510 is at 1.579227 3.718821 0.203171 ESP Fit Center 1511 is at 1.243143 3.976708 0.203171 ESP Fit Center 1512 is at 0.851766 4.138821 0.203171 ESP Fit Center 1513 is at 0.431766 4.194116 0.203171 ESP Fit Center 1514 is at 1.656433 3.721399 -0.231645 ESP Fit Center 1515 is at 1.331955 3.989831 -0.231645 ESP Fit Center 1516 is at 0.950914 4.169135 -0.231645 ESP Fit Center 1517 is at 0.537254 4.248045 -0.231645 ESP Fit Center 1518 is at 0.116965 4.221603 -0.231645 ESP Fit Center 1519 is at 1.579227 3.718821 -0.666461 ESP Fit Center 1520 is at 1.243143 3.976708 -0.666461 ESP Fit Center 1521 is at 0.851766 4.138821 -0.666461 ESP Fit Center 1522 is at 0.431766 4.194116 -0.666461 ESP Fit Center 1523 is at 0.011766 4.138821 -0.666461 ESP Fit Center 1524 is at 1.338895 3.708864 -1.071645 ESP Fit Center 1525 is at 0.963309 3.925709 -1.071645 ESP Fit Center 1526 is at 0.540492 4.022215 -1.071645 ESP Fit Center 1527 is at 0.108015 3.989805 -1.071645 ESP Fit Center 1528 is at -0.295696 3.831360 -1.071645 ESP Fit Center 1529 is at 0.961276 3.634760 -1.419585 ESP Fit Center 1530 is at 0.541375 3.754232 -1.419585 ESP Fit Center 1531 is at 0.106671 3.713951 -1.419585 ESP Fit Center 1532 is at -0.284128 3.519356 -1.419585 ESP Fit Center 1533 is at -0.578241 3.196730 -1.419585 ESP Fit Center 1534 is at -0.735947 2.789643 -1.419585 ESP Fit Center 1535 is at 0.431766 3.411360 -1.686568 ESP Fit Center 1536 is at 0.011766 3.298821 -1.686568 ESP Fit Center 1537 is at 6.084128 -2.389372 -0.523018 ESP Fit Center 1538 is at 6.413678 -2.134282 -0.523018 ESP Fit Center 1539 is at 6.161345 -2.387549 -0.932708 ESP Fit Center 1540 is at 6.084128 -2.389372 -1.342398 ESP Fit Center 1541 is at 5.903429 -2.355606 -1.736343 ESP Fit Center 1542 is at 5.611508 -1.992197 -2.417632 ESP Fit Center 1543 is at 4.675366 -1.763622 -2.678794 ESP Fit Center 1544 is at 5.102297 -1.803183 -2.678794 ESP Fit Center 1545 is at 5.514690 -1.685848 -2.678794 ESP Fit Center 1546 is at 5.396465 -1.337431 -2.872855 ESP Fit Center 1547 is at 4.413239 1.195936 2.016077 ESP Fit Center 1548 is at 4.410928 1.477820 1.697850 ESP Fit Center 1549 is at 3.769375 -1.783519 0.940842 ESP Fit Center 1550 is at 3.863401 1.591288 0.531152 ESP Fit Center 1551 is at 7.047587 0.259806 0.121463 ESP Fit Center 1552 is at 3.892646 -1.743381 -2.842588 ESP Fit Center 1553 is at 4.312935 -1.769824 -2.842588 ESP Fit Center 1554 is at 4.726596 -1.690914 -2.842588 ESP Fit Center 1555 is at 5.107636 -1.511610 -2.842588 ESP Fit Center 1556 is at 5.830202 -0.093139 -3.277404 ESP Fit Center 1557 is at 5.774908 0.326861 -3.277404 ESP Fit Center 1558 is at 3.059986 -1.240600 -3.277404 ESP Fit Center 1559 is at 3.396069 -1.498486 -3.277404 ESP Fit Center 1560 is at 3.787447 -1.660600 -3.277404 ESP Fit Center 1561 is at 4.207447 -1.715894 -3.277404 ESP Fit Center 1562 is at 4.627447 -1.660600 -3.277404 ESP Fit Center 1563 is at 5.018825 -1.498486 -3.277404 ESP Fit Center 1564 is at 5.354908 -1.240600 -3.277404 ESP Fit Center 1565 is at 5.612794 -0.904516 -3.277404 ESP Fit Center 1566 is at 5.774908 -0.513139 -3.277404 ESP Fit Center 1567 is at 5.662370 -0.093139 -3.682588 ESP Fit Center 1568 is at 5.597732 0.335707 -3.682588 ESP Fit Center 1569 is at 5.409561 0.726448 -3.682588 ESP Fit Center 1570 is at 5.114576 1.044366 -3.682588 ESP Fit Center 1571 is at 4.738990 1.261211 -3.682588 ESP Fit Center 1572 is at 4.316173 1.357716 -3.682588 ESP Fit Center 1573 is at 3.883696 1.325306 -3.682588 ESP Fit Center 1574 is at 3.479986 1.166861 -3.682588 ESP Fit Center 1575 is at 3.140913 0.896460 -3.682588 ESP Fit Center 1576 is at 2.896607 0.538129 -3.682588 ESP Fit Center 1577 is at 2.768775 0.123706 -3.682588 ESP Fit Center 1578 is at 2.768775 -0.309984 -3.682588 ESP Fit Center 1579 is at 2.896607 -0.724406 -3.682588 ESP Fit Center 1580 is at 3.140913 -1.082737 -3.682588 ESP Fit Center 1581 is at 3.479986 -1.353139 -3.682588 ESP Fit Center 1582 is at 3.883696 -1.511583 -3.682588 ESP Fit Center 1583 is at 4.316173 -1.543993 -3.682588 ESP Fit Center 1584 is at 4.738990 -1.447488 -3.682588 ESP Fit Center 1585 is at 5.114576 -1.230643 -3.682588 ESP Fit Center 1586 is at 5.409561 -0.912726 -3.682588 ESP Fit Center 1587 is at 5.597732 -0.521985 -3.682588 ESP Fit Center 1588 is at 5.395386 -0.093139 -4.030527 ESP Fit Center 1589 is at 5.315167 0.335994 -4.030527 ESP Fit Center 1590 is at 5.085345 0.707171 -4.030527 ESP Fit Center 1591 is at 4.736957 0.970261 -4.030527 ESP Fit Center 1592 is at 4.317056 1.089733 -4.030527 ESP Fit Center 1593 is at 3.882352 1.049452 -4.030527 ESP Fit Center 1594 is at 3.491554 0.854857 -4.030527 ESP Fit Center 1595 is at 3.197441 0.532231 -4.030527 ESP Fit Center 1596 is at 3.039735 0.125145 -4.030527 ESP Fit Center 1597 is at 3.039735 -0.311422 -4.030527 ESP Fit Center 1598 is at 3.197441 -0.718508 -4.030527 ESP Fit Center 1599 is at 3.491554 -1.041135 -4.030527 ESP Fit Center 1600 is at 3.882352 -1.235729 -4.030527 ESP Fit Center 1601 is at 4.317056 -1.276011 -4.030527 ESP Fit Center 1602 is at 4.736957 -1.156538 -4.030527 ESP Fit Center 1603 is at 5.085345 -0.893448 -4.030527 ESP Fit Center 1604 is at 5.315167 -0.522272 -4.030527 ESP Fit Center 1605 is at 5.047447 -0.093139 -4.297511 ESP Fit Center 1606 is at 4.934908 0.326861 -4.297511 ESP Fit Center 1607 is at 4.627447 0.634323 -4.297511 ESP Fit Center 1608 is at 4.207447 0.746861 -4.297511 ESP Fit Center 1609 is at 3.787447 0.634323 -4.297511 ESP Fit Center 1610 is at 3.479986 0.326861 -4.297511 ESP Fit Center 1611 is at 3.367447 -0.093139 -4.297511 ESP Fit Center 1612 is at 3.479986 -0.513139 -4.297511 ESP Fit Center 1613 is at 3.787447 -0.820600 -4.297511 ESP Fit Center 1614 is at 4.207447 -0.933139 -4.297511 ESP Fit Center 1615 is at 4.627447 -0.820600 -4.297511 ESP Fit Center 1616 is at 4.934908 -0.513139 -4.297511 ESP Fit Center 1617 is at 4.642263 -0.093139 -4.465343 ESP Fit Center 1618 is at 4.424855 0.283423 -4.465343 ESP Fit Center 1619 is at 3.990039 0.283423 -4.465343 ESP Fit Center 1620 is at 3.772631 -0.093139 -4.465343 ESP Fit Center 1621 is at 3.990039 -0.469700 -4.465343 ESP Fit Center 1622 is at 4.424855 -0.469700 -4.465343 ESP Fit Center 1623 is at 4.207447 -0.093139 -4.522588 ESP Fit Center 1624 is at 4.632772 2.172726 -0.356413 ESP Fit Center 1625 is at 5.510669 2.133036 -0.623396 ESP Fit Center 1626 is at 5.162282 2.396126 -0.623396 ESP Fit Center 1627 is at 4.742381 2.515598 -0.623396 ESP Fit Center 1628 is at 6.087694 1.332726 -0.971336 ESP Fit Center 1629 is at 6.023056 1.761572 -0.971336 ESP Fit Center 1630 is at 5.834885 2.152313 -0.971336 ESP Fit Center 1631 is at 5.539901 2.470230 -0.971336 ESP Fit Center 1632 is at 5.164315 2.687075 -0.971336 ESP Fit Center 1633 is at 4.741498 2.783581 -0.971336 ESP Fit Center 1634 is at 6.255527 1.332726 -1.376520 ESP Fit Center 1635 is at 6.200233 1.752726 -1.376520 ESP Fit Center 1636 is at 6.038119 2.144104 -1.376520 ESP Fit Center 1637 is at 5.780233 2.480187 -1.376520 ESP Fit Center 1638 is at 5.444149 2.738074 -1.376520 ESP Fit Center 1639 is at 5.052772 2.900187 -1.376520 ESP Fit Center 1640 is at 4.632772 2.955482 -1.376520 ESP Fit Center 1641 is at 6.312772 1.332726 -1.811336 ESP Fit Center 1642 is at 6.259991 1.750525 -1.811336 ESP Fit Center 1643 is at 6.104967 2.142072 -1.811336 ESP Fit Center 1644 is at 5.857439 2.482765 -1.811336 ESP Fit Center 1645 is at 5.532961 2.751197 -1.811336 ESP Fit Center 1646 is at 5.151920 2.930501 -1.811336 ESP Fit Center 1647 is at 4.738260 3.009411 -1.811336 ESP Fit Center 1648 is at 4.317971 2.982969 -1.811336 ESP Fit Center 1649 is at 6.259991 0.914927 -1.811336 ESP Fit Center 1650 is at 6.255527 1.332726 -2.246152 ESP Fit Center 1651 is at 6.200233 1.752726 -2.246152 ESP Fit Center 1652 is at 6.038119 2.144104 -2.246152 ESP Fit Center 1653 is at 5.780233 2.480187 -2.246152 ESP Fit Center 1654 is at 5.444149 2.738074 -2.246152 ESP Fit Center 1655 is at 5.052772 2.900187 -2.246152 ESP Fit Center 1656 is at 4.632772 2.955482 -2.246152 ESP Fit Center 1657 is at 4.212772 2.900187 -2.246152 ESP Fit Center 1658 is at 6.200233 0.912726 -2.246152 ESP Fit Center 1659 is at 6.087694 1.332726 -2.651336 ESP Fit Center 1660 is at 6.023056 1.761572 -2.651336 ESP Fit Center 1661 is at 5.834885 2.152313 -2.651336 ESP Fit Center 1662 is at 5.539901 2.470230 -2.651336 ESP Fit Center 1663 is at 5.164315 2.687075 -2.651336 ESP Fit Center 1664 is at 4.741498 2.783581 -2.651336 ESP Fit Center 1665 is at 4.309021 2.751171 -2.651336 ESP Fit Center 1666 is at 3.905310 2.592726 -2.651336 ESP Fit Center 1667 is at 3.566238 2.322325 -2.651336 ESP Fit Center 1668 is at 5.820711 1.332726 -2.999275 ESP Fit Center 1669 is at 5.740492 1.761859 -2.999275 ESP Fit Center 1670 is at 5.510669 2.133036 -2.999275 ESP Fit Center 1671 is at 5.162282 2.396126 -2.999275 ESP Fit Center 1672 is at 4.742381 2.515598 -2.999275 ESP Fit Center 1673 is at 4.307677 2.475317 -2.999275 ESP Fit Center 1674 is at 3.916878 2.280722 -2.999275 ESP Fit Center 1675 is at 5.472772 1.332726 -3.266258 ESP Fit Center 1676 is at 5.360233 1.752726 -3.266258 ESP Fit Center 1677 is at 5.052772 2.060187 -3.266258 ESP Fit Center 1678 is at 4.632772 2.172726 -3.266258 ESP Fit Center 1679 is at 4.212772 2.060187 -3.266258 ESP Fit Center 1680 is at 4.850180 1.709288 -3.434091 ESP Fit Center 1681 is at 4.415364 1.709288 -3.434091 ESP Fit Center 1682 is at 3.816995 -2.063991 0.480700 ESP Fit Center 1683 is at 3.376744 -1.862274 0.213717 ESP Fit Center 1684 is at 3.534450 -2.269360 0.213717 ESP Fit Center 1685 is at 3.828563 -2.591987 0.213717 ESP Fit Center 1686 is at 4.219361 -2.786581 0.213717 ESP Fit Center 1687 is at 3.233616 -2.275258 -0.134223 ESP Fit Center 1688 is at 3.477923 -2.633589 -0.134223 ESP Fit Center 1689 is at 3.816995 -2.903991 -0.134223 ESP Fit Center 1690 is at 4.220706 -3.062435 -0.134223 ESP Fit Center 1691 is at 4.653183 -3.094845 -0.134223 ESP Fit Center 1692 is at 5.075999 -2.998340 -0.134223 ESP Fit Center 1693 is at 3.396995 -2.791452 -0.539407 ESP Fit Center 1694 is at 3.733079 -3.049338 -0.539407 ESP Fit Center 1695 is at 4.124456 -3.211452 -0.539407 ESP Fit Center 1696 is at 4.544456 -3.266746 -0.539407 ESP Fit Center 1697 is at 4.964456 -3.211452 -0.539407 ESP Fit Center 1698 is at 5.355834 -3.049338 -0.539407 ESP Fit Center 1699 is at 5.691918 -2.791452 -0.539407 ESP Fit Center 1700 is at 3.473584 -2.938453 -0.974223 ESP Fit Center 1701 is at 3.829147 -3.164100 -0.974223 ESP Fit Center 1702 is at 4.229656 -3.294233 -0.974223 ESP Fit Center 1703 is at 4.649945 -3.320676 -0.974223 ESP Fit Center 1704 is at 5.063605 -3.241766 -0.974223 ESP Fit Center 1705 is at 5.444645 -3.062462 -0.974223 ESP Fit Center 1706 is at 5.769124 -2.794030 -0.974223 ESP Fit Center 1707 is at 3.733079 -3.049338 -1.409039 ESP Fit Center 1708 is at 4.124456 -3.211452 -1.409039 ESP Fit Center 1709 is at 4.544456 -3.266746 -1.409039 ESP Fit Center 1710 is at 4.964456 -3.211452 -1.409039 ESP Fit Center 1711 is at 5.355834 -3.049338 -1.409039 ESP Fit Center 1712 is at 5.691918 -2.791452 -1.409039 ESP Fit Center 1713 is at 5.949804 -2.455368 -1.409039 ESP Fit Center 1714 is at 3.816995 -2.903991 -1.814223 ESP Fit Center 1715 is at 4.220706 -3.062435 -1.814223 ESP Fit Center 1716 is at 4.653183 -3.094845 -1.814223 ESP Fit Center 1717 is at 5.075999 -2.998340 -1.814223 ESP Fit Center 1718 is at 5.451586 -2.781495 -1.814223 ESP Fit Center 1719 is at 5.746570 -2.463578 -1.814223 ESP Fit Center 1720 is at 3.828563 -2.591987 -2.162162 ESP Fit Center 1721 is at 4.219361 -2.786581 -2.162162 ESP Fit Center 1722 is at 4.654066 -2.826863 -2.162162 ESP Fit Center 1723 is at 5.073967 -2.707390 -2.162162 ESP Fit Center 1724 is at 5.422354 -2.444300 -2.162162 ESP Fit Center 1725 is at 3.816995 -2.063991 -2.429145 ESP Fit Center 1726 is at 4.124456 -2.371452 -2.429145 ESP Fit Center 1727 is at 4.544456 -2.483991 -2.429145 ESP Fit Center 1728 is at 4.964456 -2.371452 -2.429145 ESP Fit Center 1729 is at 4.327048 -2.020552 -2.596978 ESP Fit Center 1730 is at 4.761864 -2.020552 -2.596978 ESP Fit Center 1731 is at 7.416300 -0.262668 -0.470471 ESP Fit Center 1732 is at 7.228129 0.128073 -0.470471 ESP Fit Center 1733 is at 6.933145 0.445990 -0.470471 ESP Fit Center 1734 is at 6.557558 -2.045864 -0.470471 ESP Fit Center 1735 is at 7.648771 -0.691514 -0.875655 ESP Fit Center 1736 is at 7.593477 -0.271514 -0.875655 ESP Fit Center 1737 is at 7.431363 0.119863 -0.875655 ESP Fit Center 1738 is at 7.173477 0.455947 -0.875655 ESP Fit Center 1739 is at 6.837393 0.713833 -0.875655 ESP Fit Center 1740 is at 6.446015 0.875947 -0.875655 ESP Fit Center 1741 is at 6.446015 -2.258976 -0.875655 ESP Fit Center 1742 is at 6.837393 -2.096862 -0.875655 ESP Fit Center 1743 is at 7.173477 -1.838976 -0.875655 ESP Fit Center 1744 is at 7.431363 -1.502892 -0.875655 ESP Fit Center 1745 is at 7.593477 -1.111514 -0.875655 ESP Fit Center 1746 is at 7.706015 -0.691514 -1.310471 ESP Fit Center 1747 is at 7.653235 -0.273715 -1.310471 ESP Fit Center 1748 is at 7.498210 0.117832 -1.310471 ESP Fit Center 1749 is at 7.250683 0.458525 -1.310471 ESP Fit Center 1750 is at 6.926204 0.726957 -1.310471 ESP Fit Center 1751 is at 6.545164 0.906261 -1.310471 ESP Fit Center 1752 is at 6.131503 -2.368199 -1.310471 ESP Fit Center 1753 is at 6.545164 -2.289289 -1.310471 ESP Fit Center 1754 is at 6.926204 -2.109985 -1.310471 ESP Fit Center 1755 is at 7.250683 -1.841553 -1.310471 ESP Fit Center 1756 is at 7.498210 -1.500860 -1.310471 ESP Fit Center 1757 is at 7.653235 -1.109313 -1.310471 ESP Fit Center 1758 is at 7.648771 -0.691514 -1.745287 ESP Fit Center 1759 is at 7.593477 -0.271514 -1.745287 ESP Fit Center 1760 is at 7.431363 0.119863 -1.745287 ESP Fit Center 1761 is at 7.173477 0.455947 -1.745287 ESP Fit Center 1762 is at 6.837393 0.713833 -1.745287 ESP Fit Center 1763 is at 6.446015 0.875947 -1.745287 ESP Fit Center 1764 is at 6.026015 -2.314270 -1.745287 ESP Fit Center 1765 is at 6.446015 -2.258976 -1.745287 ESP Fit Center 1766 is at 6.837393 -2.096862 -1.745287 ESP Fit Center 1767 is at 7.173477 -1.838976 -1.745287 ESP Fit Center 1768 is at 7.431363 -1.502892 -1.745287 ESP Fit Center 1769 is at 7.593477 -1.111514 -1.745287 ESP Fit Center 1770 is at 7.480938 -0.691514 -2.150471 ESP Fit Center 1771 is at 7.416300 -0.262668 -2.150471 ESP Fit Center 1772 is at 7.228129 0.128073 -2.150471 ESP Fit Center 1773 is at 6.933145 0.445990 -2.150471 ESP Fit Center 1774 is at 6.557558 0.662835 -2.150471 ESP Fit Center 1775 is at 6.134742 -2.142369 -2.150471 ESP Fit Center 1776 is at 6.557558 -2.045864 -2.150471 ESP Fit Center 1777 is at 6.933145 -1.829019 -2.150471 ESP Fit Center 1778 is at 7.228129 -1.511101 -2.150471 ESP Fit Center 1779 is at 7.416300 -1.120360 -2.150471 ESP Fit Center 1780 is at 7.213955 -0.691514 -2.498411 ESP Fit Center 1781 is at 7.133736 -0.262381 -2.498411 ESP Fit Center 1782 is at 6.903913 0.108795 -2.498411 ESP Fit Center 1783 is at 6.555525 0.371885 -2.498411 ESP Fit Center 1784 is at 6.135624 -1.874386 -2.498411 ESP Fit Center 1785 is at 6.555525 -1.754914 -2.498411 ESP Fit Center 1786 is at 6.903913 -1.491824 -2.498411 ESP Fit Center 1787 is at 7.133736 -1.120647 -2.498411 ESP Fit Center 1788 is at 6.866015 -0.691514 -2.765394 ESP Fit Center 1789 is at 6.753477 -0.271514 -2.765394 ESP Fit Center 1790 is at 6.446015 0.035947 -2.765394 ESP Fit Center 1791 is at 6.026015 -1.531514 -2.765394 ESP Fit Center 1792 is at 6.446015 -1.418976 -2.765394 ESP Fit Center 1793 is at 6.753477 -1.111514 -2.765394 ESP Fit Center 1794 is at 6.460831 -0.691514 -2.933227 ESP Fit Center 1795 is at 6.243423 -0.314953 -2.933227 ESP Fit Center 1796 is at 5.808607 -1.068076 -2.933227 ESP Fit Center 1797 is at 6.243423 -1.068076 -2.933227 ESP Fit Center 1798 is at 6.026015 -0.691514 -2.990471 ESP Fit Center 1799 is at 6.768881 -2.853925 2.170184 ESP Fit Center 1800 is at 7.116125 -2.618488 2.170184 ESP Fit Center 1801 is at 7.404638 -2.313908 2.170184 ESP Fit Center 1802 is at 6.949580 -2.887691 1.776238 ESP Fit Center 1803 is at 7.279130 -2.632600 1.776238 ESP Fit Center 1804 is at 7.026798 -2.885868 1.366549 ESP Fit Center 1805 is at 6.949580 -2.887691 0.956859 ESP Fit Center 1806 is at 6.768881 -2.853925 0.562913 ESP Fit Center 1807 is at 6.479271 -2.772400 0.199851 ESP Fit Center 1808 is at 6.476960 -2.490516 -0.118376 ESP Fit Center 1809 is at 6.380142 -2.184166 -0.379538 ESP Fit Center 1810 is at 4.010004 0.734595 2.390116 ESP Fit Center 1811 is at 3.590004 0.622056 2.390116 ESP Fit Center 1812 is at 3.282542 0.314595 2.390116 ESP Fit Center 1813 is at 3.170004 -0.105405 2.390116 ESP Fit Center 1814 is at 3.282542 -0.525405 2.390116 ESP Fit Center 1815 is at 4.119613 1.077467 2.123133 ESP Fit Center 1816 is at 3.684909 1.037186 2.123133 ESP Fit Center 1817 is at 3.294110 0.842591 2.123133 ESP Fit Center 1818 is at 2.999997 0.519964 2.123133 ESP Fit Center 1819 is at 2.842291 0.112878 2.123133 ESP Fit Center 1820 is at 2.842291 -0.323688 2.123133 ESP Fit Center 1821 is at 2.999997 -0.730775 2.123133 ESP Fit Center 1822 is at 3.294110 -1.053401 2.123133 ESP Fit Center 1823 is at 3.684909 -1.247996 2.123133 ESP Fit Center 1824 is at 4.118730 1.345449 1.775193 ESP Fit Center 1825 is at 3.686253 1.313040 1.775193 ESP Fit Center 1826 is at 3.282542 1.154595 1.775193 ESP Fit Center 1827 is at 2.943470 0.884194 1.775193 ESP Fit Center 1828 is at 2.699164 0.525862 1.775193 ESP Fit Center 1829 is at 2.571331 0.111440 1.775193 ESP Fit Center 1830 is at 2.571331 -0.322250 1.775193 ESP Fit Center 1831 is at 2.699164 -0.736672 1.775193 ESP Fit Center 1832 is at 2.943470 -1.095004 1.775193 ESP Fit Center 1833 is at 3.282542 -1.365405 1.775193 ESP Fit Center 1834 is at 3.686253 -1.523850 1.775193 ESP Fit Center 1835 is at 4.010004 1.517350 1.370009 ESP Fit Center 1836 is at 3.590004 1.462056 1.370009 ESP Fit Center 1837 is at 3.198626 1.299942 1.370009 ESP Fit Center 1838 is at 2.862542 1.042056 1.370009 ESP Fit Center 1839 is at 2.604656 0.705973 1.370009 ESP Fit Center 1840 is at 2.442542 0.314595 1.370009 ESP Fit Center 1841 is at 2.387248 -0.105405 1.370009 ESP Fit Center 1842 is at 2.442542 -0.525405 1.370009 ESP Fit Center 1843 is at 2.604656 -0.916783 1.370009 ESP Fit Center 1844 is at 2.862542 -1.252866 1.370009 ESP Fit Center 1845 is at 3.198626 -1.510752 1.370009 ESP Fit Center 1846 is at 3.590004 -1.672866 1.370009 ESP Fit Center 1847 is at 3.695203 1.544838 0.935193 ESP Fit Center 1848 is at 3.294694 1.414704 0.935193 ESP Fit Center 1849 is at 2.447979 0.513044 0.935193 ESP Fit Center 1850 is at 2.343251 0.105155 0.935193 ESP Fit Center 1851 is at 2.343251 -0.315965 0.935193 ESP Fit Center 1852 is at 2.447979 -0.723854 0.935193 ESP Fit Center 1853 is at 2.650855 -1.092884 0.935193 ESP Fit Center 1854 is at 2.939131 -1.399867 0.935193 ESP Fit Center 1855 is at 3.294694 -1.625514 0.935193 ESP Fit Center 1856 is at 3.695203 -1.755648 0.935193 ESP Fit Center 1857 is at 2.862542 -1.252866 0.500377 ESP Fit Center 1858 is at 3.198626 -1.510752 0.500377 ESP Fit Center 1859 is at 5.491186 1.681812 2.031368 ESP Fit Center 1860 is at 5.071186 1.569274 2.031368 ESP Fit Center 1861 is at 6.369084 1.642122 1.764385 ESP Fit Center 1862 is at 6.020696 1.905212 1.764385 ESP Fit Center 1863 is at 5.600795 2.024684 1.764385 ESP Fit Center 1864 is at 5.166091 1.984403 1.764385 ESP Fit Center 1865 is at 4.775292 1.789808 1.764385 ESP Fit Center 1866 is at 4.481179 1.467182 1.764385 ESP Fit Center 1867 is at 6.881470 1.270658 1.416446 ESP Fit Center 1868 is at 6.693299 1.661399 1.416446 ESP Fit Center 1869 is at 6.398315 1.979317 1.416446 ESP Fit Center 1870 is at 6.022729 2.196162 1.416446 ESP Fit Center 1871 is at 5.599912 2.292667 1.416446 ESP Fit Center 1872 is at 5.167435 2.260257 1.416446 ESP Fit Center 1873 is at 4.763724 2.101812 1.416446 ESP Fit Center 1874 is at 4.424652 1.831411 1.416446 ESP Fit Center 1875 is at 7.113941 0.841812 1.011262 ESP Fit Center 1876 is at 7.058647 1.261812 1.011262 ESP Fit Center 1877 is at 6.896533 1.653190 1.011262 ESP Fit Center 1878 is at 6.638647 1.989274 1.011262 ESP Fit Center 1879 is at 6.302563 2.247160 1.011262 ESP Fit Center 1880 is at 5.911186 2.409274 1.011262 ESP Fit Center 1881 is at 5.491186 2.464568 1.011262 ESP Fit Center 1882 is at 5.071186 2.409274 1.011262 ESP Fit Center 1883 is at 4.679808 2.247160 1.011262 ESP Fit Center 1884 is at 4.343724 1.989274 1.011262 ESP Fit Center 1885 is at 7.171186 0.841812 0.576446 ESP Fit Center 1886 is at 7.118405 1.259611 0.576446 ESP Fit Center 1887 is at 6.963381 1.651159 0.576446 ESP Fit Center 1888 is at 6.715853 1.991851 0.576446 ESP Fit Center 1889 is at 6.391375 2.260283 0.576446 ESP Fit Center 1890 is at 6.010334 2.439587 0.576446 ESP Fit Center 1891 is at 5.596674 2.518497 0.576446 ESP Fit Center 1892 is at 5.176385 2.492055 0.576446 ESP Fit Center 1893 is at 4.775877 2.361922 0.576446 ESP Fit Center 1894 is at 4.420313 2.136275 0.576446 ESP Fit Center 1895 is at 4.132037 1.829292 0.576446 ESP Fit Center 1896 is at 7.113941 0.841812 0.141630 ESP Fit Center 1897 is at 7.058647 1.261812 0.141630 ESP Fit Center 1898 is at 6.896533 1.653190 0.141630 ESP Fit Center 1899 is at 6.638647 1.989274 0.141630 ESP Fit Center 1900 is at 6.302563 2.247160 0.141630 ESP Fit Center 1901 is at 5.911186 2.409274 0.141630 ESP Fit Center 1902 is at 5.491186 2.464568 0.141630 ESP Fit Center 1903 is at 5.071186 2.409274 0.141630 ESP Fit Center 1904 is at 4.679808 2.247160 0.141630 ESP Fit Center 1905 is at 4.343724 1.989274 0.141630 ESP Fit Center 1906 is at 7.058647 0.421812 0.141630 ESP Fit Center 1907 is at 6.946108 0.841812 -0.263554 ESP Fit Center 1908 is at 6.881470 1.270658 -0.263554 ESP Fit Center 1909 is at 6.693299 1.661399 -0.263554 ESP Fit Center 1910 is at 6.398315 1.979317 -0.263554 ESP Fit Center 1911 is at 6.022729 2.196162 -0.263554 ESP Fit Center 1912 is at 5.599912 2.292667 -0.263554 ESP Fit Center 1913 is at 5.167435 2.260257 -0.263554 ESP Fit Center 1914 is at 4.763724 2.101812 -0.263554 ESP Fit Center 1915 is at 6.679125 0.841812 -0.611494 ESP Fit Center 1916 is at 6.598906 1.270946 -0.611494 ESP Fit Center 1917 is at 6.369084 1.642122 -0.611494 ESP Fit Center 1918 is at 6.020696 1.905212 -0.611494 ESP Fit Center 1919 is at 5.600795 2.024684 -0.611494 ESP Fit Center 1920 is at 6.218647 1.261812 -0.878477 ESP Fit Center 1921 is at 8.071411 -1.187885 2.154135 ESP Fit Center 1922 is at 7.991192 -0.758752 2.154135 ESP Fit Center 1923 is at 7.761369 -1.988195 2.154135 ESP Fit Center 1924 is at 7.991192 -1.617018 2.154135 ESP Fit Center 1925 is at 8.338394 -1.187885 1.806196 ESP Fit Center 1926 is at 8.273756 -0.759039 1.806196 ESP Fit Center 1927 is at 8.085585 -0.368298 1.806196 ESP Fit Center 1928 is at 7.790601 -0.050381 1.806196 ESP Fit Center 1929 is at 7.415014 -2.542234 1.806196 ESP Fit Center 1930 is at 7.790601 -2.325390 1.806196 ESP Fit Center 1931 is at 8.085585 -2.007472 1.806196 ESP Fit Center 1932 is at 8.273756 -1.616731 1.806196 ESP Fit Center 1933 is at 8.506227 -1.187885 1.401012 ESP Fit Center 1934 is at 8.450933 -0.767885 1.401012 ESP Fit Center 1935 is at 8.288819 -0.376507 1.401012 ESP Fit Center 1936 is at 8.030933 -0.040424 1.401012 ESP Fit Center 1937 is at 7.694849 0.217462 1.401012 ESP Fit Center 1938 is at 7.303472 -2.755346 1.401012 ESP Fit Center 1939 is at 7.694849 -2.593233 1.401012 ESP Fit Center 1940 is at 8.030933 -2.335346 1.401012 ESP Fit Center 1941 is at 8.288819 -1.999263 1.401012 ESP Fit Center 1942 is at 8.450933 -1.607885 1.401012 ESP Fit Center 1943 is at 8.563472 -1.187885 0.966196 ESP Fit Center 1944 is at 8.510691 -0.770086 0.966196 ESP Fit Center 1945 is at 8.355667 -0.378539 0.966196 ESP Fit Center 1946 is at 8.108139 -0.037846 0.966196 ESP Fit Center 1947 is at 7.783661 0.230586 0.966196 ESP Fit Center 1948 is at 7.402620 0.409890 0.966196 ESP Fit Center 1949 is at 7.402620 -2.785660 0.966196 ESP Fit Center 1950 is at 7.783661 -2.606356 0.966196 ESP Fit Center 1951 is at 8.108139 -2.337924 0.966196 ESP Fit Center 1952 is at 8.355667 -1.997231 0.966196 ESP Fit Center 1953 is at 8.510691 -1.605684 0.966196 ESP Fit Center 1954 is at 8.506227 -1.187885 0.531380 ESP Fit Center 1955 is at 8.450933 -0.767885 0.531380 ESP Fit Center 1956 is at 8.288819 -0.376507 0.531380 ESP Fit Center 1957 is at 8.030933 -0.040424 0.531380 ESP Fit Center 1958 is at 7.694849 0.217462 0.531380 ESP Fit Center 1959 is at 7.303472 0.379576 0.531380 ESP Fit Center 1960 is at 6.883472 -2.810641 0.531380 ESP Fit Center 1961 is at 7.303472 -2.755346 0.531380 ESP Fit Center 1962 is at 7.694849 -2.593233 0.531380 ESP Fit Center 1963 is at 8.030933 -2.335346 0.531380 ESP Fit Center 1964 is at 8.288819 -1.999263 0.531380 ESP Fit Center 1965 is at 8.450933 -1.607885 0.531380 ESP Fit Center 1966 is at 8.338394 -1.187885 0.126196 ESP Fit Center 1967 is at 8.273756 -0.759039 0.126196 ESP Fit Center 1968 is at 8.085585 -0.368298 0.126196 ESP Fit Center 1969 is at 7.790601 -0.050381 0.126196 ESP Fit Center 1970 is at 7.415014 0.166464 0.126196 ESP Fit Center 1971 is at 6.992198 -2.638740 0.126196 ESP Fit Center 1972 is at 7.415014 -2.542234 0.126196 ESP Fit Center 1973 is at 7.790601 -2.325390 0.126196 ESP Fit Center 1974 is at 8.085585 -2.007472 0.126196 ESP Fit Center 1975 is at 8.273756 -1.616731 0.126196 ESP Fit Center 1976 is at 8.071411 -1.187885 -0.221743 ESP Fit Center 1977 is at 7.991192 -0.758752 -0.221743 ESP Fit Center 1978 is at 7.761369 -0.387576 -0.221743 ESP Fit Center 1979 is at 7.412982 -0.124485 -0.221743 ESP Fit Center 1980 is at 6.558377 -2.330476 -0.221743 ESP Fit Center 1981 is at 6.993081 -2.370757 -0.221743 ESP Fit Center 1982 is at 7.412982 -2.251285 -0.221743 ESP Fit Center 1983 is at 7.761369 -1.988195 -0.221743 ESP Fit Center 1984 is at 7.991192 -1.617018 -0.221743 ESP Fit Center 1985 is at 7.723472 -1.187885 -0.488727 ESP Fit Center 1986 is at 7.610933 -0.767885 -0.488727 ESP Fit Center 1987 is at 6.883472 -2.027885 -0.488727 ESP Fit Center 1988 is at 7.303472 -1.915346 -0.488727 ESP Fit Center 1989 is at 7.610933 -1.607885 -0.488727 ESP Fit Center 1990 is at 4.672796 -2.557307 2.775393 ESP Fit Center 1991 is at 4.980257 -2.864769 2.775393 ESP Fit Center 1992 is at 5.400257 -2.977307 2.775393 ESP Fit Center 1993 is at 5.820257 -2.864769 2.775393 ESP Fit Center 1994 is at 4.232545 -2.355591 2.508410 ESP Fit Center 1995 is at 4.390251 -2.762677 2.508410 ESP Fit Center 1996 is at 4.684364 -3.085303 2.508410 ESP Fit Center 1997 is at 5.075162 -3.279898 2.508410 ESP Fit Center 1998 is at 5.509866 -3.320179 2.508410 ESP Fit Center 1999 is at 5.929767 -3.200707 2.508410 ESP Fit Center 2000 is at 6.278155 -2.937617 2.508410 ESP Fit Center 2001 is at 3.961585 -1.920462 2.160470 ESP Fit Center 2002 is at 3.961585 -2.354152 2.160470 ESP Fit Center 2003 is at 4.089417 -2.768575 2.160470 ESP Fit Center 2004 is at 4.333723 -3.126906 2.160470 ESP Fit Center 2005 is at 4.672796 -3.397307 2.160470 ESP Fit Center 2006 is at 5.076506 -3.555752 2.160470 ESP Fit Center 2007 is at 5.508984 -3.588162 2.160470 ESP Fit Center 2008 is at 5.931800 -3.491657 2.160470 ESP Fit Center 2009 is at 6.307387 -3.274812 2.160470 ESP Fit Center 2010 is at 6.602371 -2.956894 2.160470 ESP Fit Center 2011 is at 3.832796 -1.717307 1.755286 ESP Fit Center 2012 is at 3.777502 -2.137307 1.755286 ESP Fit Center 2013 is at 3.832796 -2.557307 1.755286 ESP Fit Center 2014 is at 3.994910 -2.948685 1.755286 ESP Fit Center 2015 is at 4.252796 -3.284769 1.755286 ESP Fit Center 2016 is at 4.588879 -3.542655 1.755286 ESP Fit Center 2017 is at 4.980257 -3.704769 1.755286 ESP Fit Center 2018 is at 5.400257 -3.760063 1.755286 ESP Fit Center 2019 is at 5.820257 -3.704769 1.755286 ESP Fit Center 2020 is at 6.211635 -3.542655 1.755286 ESP Fit Center 2021 is at 6.547718 -3.284769 1.755286 ESP Fit Center 2022 is at 3.733504 -1.926747 1.320470 ESP Fit Center 2023 is at 3.733504 -2.347867 1.320470 ESP Fit Center 2024 is at 3.838233 -2.755757 1.320470 ESP Fit Center 2025 is at 4.041109 -3.124787 1.320470 ESP Fit Center 2026 is at 4.329385 -3.431770 1.320470 ESP Fit Center 2027 is at 4.684948 -3.657417 1.320470 ESP Fit Center 2028 is at 5.085456 -3.787550 1.320470 ESP Fit Center 2029 is at 5.505745 -3.813992 1.320470 ESP Fit Center 2030 is at 5.919406 -3.735082 1.320470 ESP Fit Center 2031 is at 6.300446 -3.555778 1.320470 ESP Fit Center 2032 is at 6.624924 -3.287346 1.320470 ESP Fit Center 2033 is at 3.777502 -2.137307 0.885654 ESP Fit Center 2034 is at 3.832796 -2.557307 0.885654 ESP Fit Center 2035 is at 3.994910 -2.948685 0.885654 ESP Fit Center 2036 is at 4.252796 -3.284769 0.885654 ESP Fit Center 2037 is at 4.588879 -3.542655 0.885654 ESP Fit Center 2038 is at 4.980257 -3.704769 0.885654 ESP Fit Center 2039 is at 5.400257 -3.760063 0.885654 ESP Fit Center 2040 is at 5.820257 -3.704769 0.885654 ESP Fit Center 2041 is at 6.211635 -3.542655 0.885654 ESP Fit Center 2042 is at 6.547718 -3.284769 0.885654 ESP Fit Center 2043 is at 3.961585 -2.354152 0.480470 ESP Fit Center 2044 is at 4.089417 -2.768575 0.480470 ESP Fit Center 2045 is at 4.333723 -3.126906 0.480470 ESP Fit Center 2046 is at 4.672796 -3.397307 0.480470 ESP Fit Center 2047 is at 5.076506 -3.555752 0.480470 ESP Fit Center 2048 is at 5.508984 -3.588162 0.480470 ESP Fit Center 2049 is at 5.931800 -3.491657 0.480470 ESP Fit Center 2050 is at 6.307387 -3.274812 0.480470 ESP Fit Center 2051 is at 6.602371 -2.956894 0.480470 ESP Fit Center 2052 is at 4.684364 -3.085303 0.132531 ESP Fit Center 2053 is at 5.075162 -3.279898 0.132531 ESP Fit Center 2054 is at 5.509866 -3.320179 0.132531 ESP Fit Center 2055 is at 5.929767 -3.200707 0.132531 ESP Fit Center 2056 is at 6.278155 -2.937617 0.132531 ESP Fit Center 2057 is at 5.400257 -2.977307 -0.134452 ESP Fit Center 2058 is at 5.820257 -2.864769 -0.134452 ESP Fit Center 2059 is at 5.901712 -0.658332 4.924591 ESP Fit Center 2060 is at 6.106557 -0.303530 4.884240 ESP Fit Center 2061 is at 5.696867 -0.303530 4.884240 ESP Fit Center 2062 is at 5.492023 -0.658332 4.884240 ESP Fit Center 2063 is at 5.696867 -1.013134 4.884240 ESP Fit Center 2064 is at 6.597681 -0.256514 4.764738 ESP Fit Center 2065 is at 6.303530 0.037636 4.764738 ESP Fit Center 2066 is at 5.901712 0.145303 4.764738 ESP Fit Center 2067 is at 5.499895 0.037636 4.764738 ESP Fit Center 2068 is at 6.763912 0.127667 4.570677 ESP Fit Center 2069 is at 6.421754 0.386053 4.570677 ESP Fit Center 2070 is at 6.009362 0.503389 4.570677 ESP Fit Center 2071 is at 5.582430 0.463828 4.570677 ESP Fit Center 2072 is at 5.198620 -1.589377 4.570677 ESP Fit Center 2073 is at 5.284852 0.692403 4.309515 ESP Fit Center 2074 is at 5.282542 0.974287 3.991289 ESP Fit Center 2075 is at 7.796500 -0.241258 3.628226 ESP Fit Center 2076 is at 4.812927 -2.264170 3.628226 ESP Fit Center 2077 is at 5.183590 -2.460683 3.628226 ESP Fit Center 2078 is at 7.919200 -0.243728 3.234281 ESP Fit Center 2079 is at 4.640989 -2.287053 3.234281 ESP Fit Center 2080 is at 4.994655 -2.507494 3.234281 ESP Fit Center 2081 is at 5.385456 -2.652231 3.234281 ESP Fit Center 2082 is at 8.001712 -0.658332 2.824591 ESP Fit Center 2083 is at 7.961361 -0.248642 2.824591 ESP Fit Center 2084 is at 4.735015 1.087754 2.824591 ESP Fit Center 2085 is at 7.961361 -0.658332 2.414901 ESP Fit Center 2086 is at 7.919200 -0.243728 2.414901 ESP Fit Center 2087 is at 4.640989 0.970388 2.414901 ESP Fit Center 2088 is at 7.919200 -1.072936 2.414901 ESP Fit Center 2089 is at 7.796500 -0.241258 2.020956 ESP Fit Center 2090 is at 4.878956 -0.609028 4.904519 ESP Fit Center 2091 is at 5.313772 -0.609028 4.847275 ESP Fit Center 2092 is at 5.096364 -0.232466 4.847275 ESP Fit Center 2093 is at 4.661548 -0.232466 4.847275 ESP Fit Center 2094 is at 4.444140 -0.609028 4.847275 ESP Fit Center 2095 is at 4.661548 -0.985589 4.847275 ESP Fit Center 2096 is at 5.096364 -0.985589 4.847275 ESP Fit Center 2097 is at 4.878956 0.230972 4.679442 ESP Fit Center 2098 is at 4.458956 0.118434 4.679442 ESP Fit Center 2099 is at 4.151495 -0.189028 4.679442 ESP Fit Center 2100 is at 4.038956 -0.609028 4.679442 ESP Fit Center 2101 is at 4.151495 -1.029028 4.679442 ESP Fit Center 2102 is at 4.458956 -1.336489 4.679442 ESP Fit Center 2103 is at 4.878956 -1.449028 4.679442 ESP Fit Center 2104 is at 4.988566 0.573844 4.412459 ESP Fit Center 2105 is at 4.553861 0.533563 4.412459 ESP Fit Center 2106 is at 4.163063 0.338968 4.412459 ESP Fit Center 2107 is at 3.868950 0.016342 4.412459 ESP Fit Center 2108 is at 3.711244 -0.390744 4.412459 ESP Fit Center 2109 is at 3.711244 -0.827311 4.412459 ESP Fit Center 2110 is at 3.868950 -1.234397 4.412459 ESP Fit Center 2111 is at 4.163063 -1.557024 4.412459 ESP Fit Center 2112 is at 4.553861 -1.751618 4.412459 ESP Fit Center 2113 is at 4.988566 -1.791900 4.412459 ESP Fit Center 2114 is at 4.987683 0.841827 4.064519 ESP Fit Center 2115 is at 4.555206 0.809417 4.064519 ESP Fit Center 2116 is at 4.151495 0.650972 4.064519 ESP Fit Center 2117 is at 3.812423 0.380571 4.064519 ESP Fit Center 2118 is at 3.568116 0.022240 4.064519 ESP Fit Center 2119 is at 3.440284 -0.392183 4.064519 ESP Fit Center 2120 is at 3.440284 -0.825873 4.064519 ESP Fit Center 2121 is at 3.568116 -1.240295 4.064519 ESP Fit Center 2122 is at 3.812423 -1.598626 4.064519 ESP Fit Center 2123 is at 4.151495 -1.869028 4.064519 ESP Fit Center 2124 is at 4.555206 -2.027472 4.064519 ESP Fit Center 2125 is at 4.878956 1.013728 3.659335 ESP Fit Center 2126 is at 4.458956 0.958434 3.659335 ESP Fit Center 2127 is at 4.067579 0.796320 3.659335 ESP Fit Center 2128 is at 3.731495 0.538434 3.659335 ESP Fit Center 2129 is at 3.473609 0.202350 3.659335 ESP Fit Center 2130 is at 3.311495 -0.189028 3.659335 ESP Fit Center 2131 is at 3.256201 -0.609028 3.659335 ESP Fit Center 2132 is at 3.311495 -1.029028 3.659335 ESP Fit Center 2133 is at 3.473609 -1.420405 3.659335 ESP Fit Center 2134 is at 3.731495 -1.756489 3.659335 ESP Fit Center 2135 is at 4.067579 -2.014375 3.659335 ESP Fit Center 2136 is at 4.458956 -2.176489 3.659335 ESP Fit Center 2137 is at 4.564156 1.041215 3.224519 ESP Fit Center 2138 is at 4.163647 0.911082 3.224519 ESP Fit Center 2139 is at 3.808084 0.685435 3.224519 ESP Fit Center 2140 is at 3.519808 0.378451 3.224519 ESP Fit Center 2141 is at 3.316932 0.009422 3.224519 ESP Fit Center 2142 is at 3.212204 -0.398468 3.224519 ESP Fit Center 2143 is at 3.212204 -0.819588 3.224519 ESP Fit Center 2144 is at 3.316932 -1.227477 3.224519 ESP Fit Center 2145 is at 3.519808 -1.596507 3.224519 ESP Fit Center 2146 is at 3.808084 -1.903490 3.224519 ESP Fit Center 2147 is at 4.163647 -2.129137 3.224519 ESP Fit Center 2148 is at 4.564156 -2.259270 3.224519 ESP Fit Center 2149 is at 4.458956 0.958434 2.789703 ESP Fit Center 2150 is at 4.067579 0.796320 2.789703 ESP Fit Center 2151 is at 3.731495 0.538434 2.789703 ESP Fit Center 2152 is at 3.473609 0.202350 2.789703 ESP Fit Center 2153 is at 3.311495 -0.189028 2.789703 ESP Fit Center 2154 is at 3.256201 -0.609028 2.789703 ESP Fit Center 2155 is at 3.311495 -1.029028 2.789703 ESP Fit Center 2156 is at 3.473609 -1.420405 2.789703 ESP Fit Center 2157 is at 3.731495 -1.756489 2.789703 ESP Fit Center 2158 is at 4.067579 -2.014375 2.789703 ESP Fit Center 2159 is at 3.440284 -0.825873 2.384519 ESP Fit Center 2160 is at 3.568116 -1.240295 2.384519 ESP Fit Center 2161 is at 3.812423 -1.598626 2.384519 ESP Fit Center 2162 is at 6.795628 0.340030 4.489997 ESP Fit Center 2163 is at 6.578220 0.716592 4.489997 ESP Fit Center 2164 is at 6.143404 0.716592 4.489997 ESP Fit Center 2165 is at 7.200812 0.340030 4.322164 ESP Fit Center 2166 is at 7.088273 0.760030 4.322164 ESP Fit Center 2167 is at 6.780812 1.067491 4.322164 ESP Fit Center 2168 is at 6.360812 1.180030 4.322164 ESP Fit Center 2169 is at 5.940812 1.067491 4.322164 ESP Fit Center 2170 is at 7.548751 0.340030 4.055181 ESP Fit Center 2171 is at 7.468532 0.769163 4.055181 ESP Fit Center 2172 is at 7.238710 1.140340 4.055181 ESP Fit Center 2173 is at 6.890322 1.403430 4.055181 ESP Fit Center 2174 is at 6.470421 1.522902 4.055181 ESP Fit Center 2175 is at 6.035717 1.482620 4.055181 ESP Fit Center 2176 is at 5.644918 1.288026 4.055181 ESP Fit Center 2177 is at 5.350805 0.965399 4.055181 ESP Fit Center 2178 is at 7.815734 0.340030 3.707242 ESP Fit Center 2179 is at 7.751096 0.768876 3.707242 ESP Fit Center 2180 is at 7.562925 1.159617 3.707242 ESP Fit Center 2181 is at 7.267941 1.477534 3.707242 ESP Fit Center 2182 is at 6.892355 1.694379 3.707242 ESP Fit Center 2183 is at 6.469538 1.790884 3.707242 ESP Fit Center 2184 is at 6.037061 1.758475 3.707242 ESP Fit Center 2185 is at 5.633350 1.600030 3.707242 ESP Fit Center 2186 is at 5.294278 1.329629 3.707242 ESP Fit Center 2187 is at 7.751096 -0.088816 3.707242 ESP Fit Center 2188 is at 7.983567 0.340030 3.302058 ESP Fit Center 2189 is at 7.928273 0.760030 3.302058 ESP Fit Center 2190 is at 7.766159 1.151408 3.302058 ESP Fit Center 2191 is at 7.508273 1.487491 3.302058 ESP Fit Center 2192 is at 7.172189 1.745377 3.302058 ESP Fit Center 2193 is at 6.780812 1.907491 3.302058 ESP Fit Center 2194 is at 6.360812 1.962785 3.302058 ESP Fit Center 2195 is at 5.940812 1.907491 3.302058 ESP Fit Center 2196 is at 5.549434 1.745377 3.302058 ESP Fit Center 2197 is at 5.213350 1.487491 3.302058 ESP Fit Center 2198 is at 7.928273 -0.079970 3.302058 ESP Fit Center 2199 is at 8.040812 0.340030 2.867242 ESP Fit Center 2200 is at 7.988031 0.757829 2.867242 ESP Fit Center 2201 is at 7.833007 1.149376 2.867242 ESP Fit Center 2202 is at 7.585479 1.490069 2.867242 ESP Fit Center 2203 is at 7.261001 1.758501 2.867242 ESP Fit Center 2204 is at 6.879960 1.937805 2.867242 ESP Fit Center 2205 is at 6.466300 2.016715 2.867242 ESP Fit Center 2206 is at 6.046011 1.990272 2.867242 ESP Fit Center 2207 is at 5.645503 1.860139 2.867242 ESP Fit Center 2208 is at 5.289939 1.634492 2.867242 ESP Fit Center 2209 is at 5.001663 1.327509 2.867242 ESP Fit Center 2210 is at 7.988031 -0.077769 2.867242 ESP Fit Center 2211 is at 7.983567 0.340030 2.432426 ESP Fit Center 2212 is at 7.928273 0.760030 2.432426 ESP Fit Center 2213 is at 7.766159 1.151408 2.432426 ESP Fit Center 2214 is at 7.508273 1.487491 2.432426 ESP Fit Center 2215 is at 7.172189 1.745377 2.432426 ESP Fit Center 2216 is at 6.780812 1.907491 2.432426 ESP Fit Center 2217 is at 6.360812 1.962785 2.432426 ESP Fit Center 2218 is at 5.940812 1.907491 2.432426 ESP Fit Center 2219 is at 5.549434 1.745377 2.432426 ESP Fit Center 2220 is at 5.213350 1.487491 2.432426 ESP Fit Center 2221 is at 7.928273 -0.079970 2.432426 ESP Fit Center 2222 is at 7.815734 0.340030 2.027242 ESP Fit Center 2223 is at 7.751096 0.768876 2.027242 ESP Fit Center 2224 is at 7.562925 1.159617 2.027242 ESP Fit Center 2225 is at 7.267941 1.477534 2.027242 ESP Fit Center 2226 is at 6.892355 1.694379 2.027242 ESP Fit Center 2227 is at 6.469538 1.790884 2.027242 ESP Fit Center 2228 is at 6.037061 1.758475 2.027242 ESP Fit Center 2229 is at 7.548751 0.340030 1.679302 ESP Fit Center 2230 is at 7.468532 0.769163 1.679302 ESP Fit Center 2231 is at 7.238710 1.140340 1.679302 ESP Fit Center 2232 is at 6.890322 1.403430 1.679302 ESP Fit Center 2233 is at 7.088273 0.760030 1.412319 ESP Fit Center 2234 is at 6.496547 -1.361636 5.105229 ESP Fit Center 2235 is at 6.931363 -1.361636 5.047985 ESP Fit Center 2236 is at 6.713955 -0.985074 5.047985 ESP Fit Center 2237 is at 6.279139 -0.985074 5.047985 ESP Fit Center 2238 is at 6.061731 -1.361636 5.047985 ESP Fit Center 2239 is at 6.279139 -1.738197 5.047985 ESP Fit Center 2240 is at 6.713955 -1.738197 5.047985 ESP Fit Center 2241 is at 7.336547 -1.361636 4.880152 ESP Fit Center 2242 is at 7.224008 -0.941636 4.880152 ESP Fit Center 2243 is at 6.916547 -0.634174 4.880152 ESP Fit Center 2244 is at 6.496547 -0.521636 4.880152 ESP Fit Center 2245 is at 5.656547 -1.361636 4.880152 ESP Fit Center 2246 is at 5.769085 -1.781636 4.880152 ESP Fit Center 2247 is at 6.076547 -2.089097 4.880152 ESP Fit Center 2248 is at 6.496547 -2.201636 4.880152 ESP Fit Center 2249 is at 6.916547 -2.089097 4.880152 ESP Fit Center 2250 is at 7.224008 -1.781636 4.880152 ESP Fit Center 2251 is at 7.684486 -1.361636 4.613169 ESP Fit Center 2252 is at 7.604267 -0.932503 4.613169 ESP Fit Center 2253 is at 7.374444 -0.561326 4.613169 ESP Fit Center 2254 is at 7.026057 -0.298236 4.613169 ESP Fit Center 2255 is at 5.486540 -1.987005 4.613169 ESP Fit Center 2256 is at 5.780653 -2.309632 4.613169 ESP Fit Center 2257 is at 6.171452 -2.504226 4.613169 ESP Fit Center 2258 is at 6.606156 -2.544508 4.613169 ESP Fit Center 2259 is at 7.026057 -2.425035 4.613169 ESP Fit Center 2260 is at 7.374444 -2.161945 4.613169 ESP Fit Center 2261 is at 7.604267 -1.790769 4.613169 ESP Fit Center 2262 is at 7.951469 -1.361636 4.265229 ESP Fit Center 2263 is at 7.886831 -0.932790 4.265229 ESP Fit Center 2264 is at 7.698660 -0.542049 4.265229 ESP Fit Center 2265 is at 7.403676 -0.224131 4.265229 ESP Fit Center 2266 is at 5.430013 -2.351234 4.265229 ESP Fit Center 2267 is at 5.769085 -2.621636 4.265229 ESP Fit Center 2268 is at 6.172796 -2.780080 4.265229 ESP Fit Center 2269 is at 6.605273 -2.812490 4.265229 ESP Fit Center 2270 is at 7.028090 -2.715985 4.265229 ESP Fit Center 2271 is at 7.403676 -2.499140 4.265229 ESP Fit Center 2272 is at 7.698660 -2.181223 4.265229 ESP Fit Center 2273 is at 7.886831 -1.790482 4.265229 ESP Fit Center 2274 is at 8.119302 -1.361636 3.860045 ESP Fit Center 2275 is at 8.064008 -0.941636 3.860045 ESP Fit Center 2276 is at 7.901894 -0.550258 3.860045 ESP Fit Center 2277 is at 5.349085 -2.509097 3.860045 ESP Fit Center 2278 is at 5.685169 -2.766983 3.860045 ESP Fit Center 2279 is at 6.076547 -2.929097 3.860045 ESP Fit Center 2280 is at 6.496547 -2.984391 3.860045 ESP Fit Center 2281 is at 6.916547 -2.929097 3.860045 ESP Fit Center 2282 is at 7.307924 -2.766983 3.860045 ESP Fit Center 2283 is at 7.644008 -2.509097 3.860045 ESP Fit Center 2284 is at 7.901894 -2.173013 3.860045 ESP Fit Center 2285 is at 8.064008 -1.781636 3.860045 ESP Fit Center 2286 is at 8.176547 -1.361636 3.425229 ESP Fit Center 2287 is at 8.123766 -0.943837 3.425229 ESP Fit Center 2288 is at 7.968742 -0.552290 3.425229 ESP Fit Center 2289 is at 5.425674 -2.656098 3.425229 ESP Fit Center 2290 is at 5.781237 -2.881745 3.425229 ESP Fit Center 2291 is at 6.181746 -3.011878 3.425229 ESP Fit Center 2292 is at 6.602035 -3.038321 3.425229 ESP Fit Center 2293 is at 7.015695 -2.959411 3.425229 ESP Fit Center 2294 is at 7.396736 -2.780107 3.425229 ESP Fit Center 2295 is at 7.721214 -2.511675 3.425229 ESP Fit Center 2296 is at 7.968742 -2.170982 3.425229 ESP Fit Center 2297 is at 8.123766 -1.779435 3.425229 ESP Fit Center 2298 is at 8.119302 -1.361636 2.990413 ESP Fit Center 2299 is at 8.064008 -0.941636 2.990413 ESP Fit Center 2300 is at 5.685169 -2.766983 2.990413 ESP Fit Center 2301 is at 6.076547 -2.929097 2.990413 ESP Fit Center 2302 is at 6.496547 -2.984391 2.990413 ESP Fit Center 2303 is at 6.916547 -2.929097 2.990413 ESP Fit Center 2304 is at 7.307924 -2.766983 2.990413 ESP Fit Center 2305 is at 7.644008 -2.509097 2.990413 ESP Fit Center 2306 is at 7.901894 -2.173013 2.990413 ESP Fit Center 2307 is at 8.064008 -1.781636 2.990413 ESP Fit Center 2308 is at 7.951469 -1.361636 2.585229 ESP Fit Center 2309 is at 6.605273 -2.812490 2.585229 ESP Fit Center 2310 is at 7.028090 -2.715985 2.585229 ESP Fit Center 2311 is at 7.403676 -2.499140 2.585229 ESP Fit Center 2312 is at 7.698660 -2.181223 2.585229 ESP Fit Center 2313 is at 7.886831 -1.790482 2.585229 ESP Fit Center 2314 is at -3.827842 -1.629312 2.619392 ESP Fit Center 2315 is at -4.036220 -1.268391 2.619392 ESP Fit Center 2316 is at -4.036220 -1.990233 2.619392 ESP Fit Center 2317 is at -5.877951 -3.337665 0.672609 ESP Fit Center 2318 is at -6.829682 -1.236611 0.053329 ESP Fit Center 2319 is at -6.914338 -1.648551 0.053329 ESP Fit Center 2320 is at -6.914338 -2.069100 0.053329 ESP Fit Center 2321 is at -7.091591 -1.644449 -0.325822 ESP Fit Center 2322 is at -7.091591 -2.073202 -0.325822 ESP Fit Center 2323 is at -7.200565 -1.646960 -0.729915 ESP Fit Center 2324 is at -7.200565 -2.070691 -0.729915 ESP Fit Center 2325 is at -7.246541 -1.858826 -1.146671 ESP Fit Center 2326 is at -7.200565 -2.070691 -1.563426 ESP Fit Center 2327 is at -4.116167 -4.106684 -1.563426 ESP Fit Center 2328 is at -3.726534 -3.940147 -1.563426 ESP Fit Center 2329 is at -7.091591 -2.073202 -1.967519 ESP Fit Center 2330 is at -3.909671 -3.910284 -1.967519 ESP Fit Center 2331 is at -3.747110 -0.094952 -2.346671 ESP Fit Center 2332 is at -4.124680 0.090256 -2.346671 ESP Fit Center 2333 is at -6.914338 -2.069100 -2.346671 ESP Fit Center 2334 is at -4.118346 -0.170679 -2.689361 ESP Fit Center 2335 is at -6.672616 -2.072263 -2.689361 ESP Fit Center 2336 is at -6.574172 -2.487632 -2.689361 ESP Fit Center 2337 is at -4.527287 -3.669401 -2.689361 ESP Fit Center 2338 is at -4.532671 -0.348402 -2.985177 ESP Fit Center 2339 is at -6.374862 -2.068888 -2.985177 ESP Fit Center 2340 is at -6.261514 -2.473435 -2.985177 ESP Fit Center 2341 is at -6.043223 -2.832399 -2.985177 ESP Fit Center 2342 is at -5.363156 -3.312442 -2.985177 ESP Fit Center 2343 is at -4.951818 -3.397919 -2.985177 ESP Fit Center 2344 is at -4.638163 -0.677056 -3.225132 ESP Fit Center 2345 is at -5.974172 -1.448401 -3.225132 ESP Fit Center 2346 is at -6.046541 -1.858826 -3.225132 ESP Fit Center 2347 is at -5.974172 -2.269250 -3.225132 ESP Fit Center 2348 is at -5.765794 -2.630171 -3.225132 ESP Fit Center 2349 is at -5.446541 -2.898056 -3.225132 ESP Fit Center 2350 is at -5.054919 -3.040595 -3.225132 ESP Fit Center 2351 is at -4.846541 -1.037977 -3.401933 ESP Fit Center 2352 is at -5.256965 -1.147950 -3.401933 ESP Fit Center 2353 is at -5.557416 -1.448401 -3.401933 ESP Fit Center 2354 is at -5.667389 -1.858826 -3.401933 ESP Fit Center 2355 is at -5.557416 -2.269250 -3.401933 ESP Fit Center 2356 is at -5.256965 -2.569701 -3.401933 ESP Fit Center 2357 is at -5.054919 -1.497905 -3.510209 ESP Fit Center 2358 is at -5.263296 -1.858826 -3.510209 ESP Fit Center 2359 is at -5.054919 -2.219746 -3.510209 ESP Fit Center 2360 is at -3.414699 -2.722737 2.835685 ESP Fit Center 2361 is at -3.003100 -2.722737 2.797545 ESP Fit Center 2362 is at -3.208899 -2.366282 2.797545 ESP Fit Center 2363 is at -3.620498 -2.366282 2.797545 ESP Fit Center 2364 is at -3.826298 -2.722737 2.797545 ESP Fit Center 2365 is at -3.620498 -3.079192 2.797545 ESP Fit Center 2366 is at -3.208899 -3.079192 2.797545 ESP Fit Center 2367 is at -2.605517 -2.722737 2.684423 ESP Fit Center 2368 is at -2.713927 -2.318146 2.684423 ESP Fit Center 2369 is at -3.010108 -2.021965 2.684423 ESP Fit Center 2370 is at -3.414699 -1.913556 2.684423 ESP Fit Center 2371 is at -3.819289 -2.021965 2.684423 ESP Fit Center 2372 is at -4.115470 -2.318146 2.684423 ESP Fit Center 2373 is at -4.223880 -2.722737 2.684423 ESP Fit Center 2374 is at -4.115470 -3.127328 2.684423 ESP Fit Center 2375 is at -3.819289 -3.423509 2.684423 ESP Fit Center 2376 is at -3.414699 -3.531918 2.684423 ESP Fit Center 2377 is at -3.010108 -3.423509 2.684423 ESP Fit Center 2378 is at -2.713927 -3.127328 2.684423 ESP Fit Center 2379 is at -2.235491 -2.722737 2.500171 ESP Fit Center 2380 is at -2.315120 -2.296758 2.500171 ESP Fit Center 2381 is at -2.543254 -1.928310 2.500171 ESP Fit Center 2382 is at -2.889081 -1.667153 2.500171 ESP Fit Center 2383 is at -3.305895 -1.548559 2.500171 ESP Fit Center 2384 is at -4.573829 -2.939416 2.500171 ESP Fit Center 2385 is at -4.417282 -3.343510 2.500171 ESP Fit Center 2386 is at -3.305895 -3.896915 2.500171 ESP Fit Center 2387 is at -2.889081 -3.778321 2.500171 ESP Fit Center 2388 is at -2.543254 -3.517164 2.500171 ESP Fit Center 2389 is at -2.315120 -3.148716 2.500171 ESP Fit Center 2390 is at -1.905621 -2.722737 2.251065 ESP Fit Center 2391 is at -1.966749 -2.297580 2.251065 ESP Fit Center 2392 is at -2.145181 -1.906868 2.251065 ESP Fit Center 2393 is at -2.426463 -1.582252 2.251065 ESP Fit Center 2394 is at -3.199935 -4.216455 2.251065 ESP Fit Center 2395 is at -2.787805 -4.095443 2.251065 ESP Fit Center 2396 is at -2.426463 -3.863222 2.251065 ESP Fit Center 2397 is at -2.145181 -3.538606 2.251065 ESP Fit Center 2398 is at -1.966749 -3.147893 2.251065 ESP Fit Center 2399 is at -1.627140 -2.722737 1.945587 ESP Fit Center 2400 is at -1.675324 -2.310498 1.945587 ESP Fit Center 2401 is at -1.817278 -1.920482 1.945587 ESP Fit Center 2402 is at -2.706683 -4.364102 1.945587 ESP Fit Center 2403 is at -2.347243 -4.156579 1.945587 ESP Fit Center 2404 is at -2.045349 -3.871757 1.945587 ESP Fit Center 2405 is at -1.817278 -3.524992 1.945587 ESP Fit Center 2406 is at -1.675324 -3.134976 1.945587 ESP Fit Center 2407 is at -1.409533 -2.722737 1.594139 ESP Fit Center 2408 is at -1.453351 -2.305840 1.594139 ESP Fit Center 2409 is at -2.412116 -4.459261 1.594139 ESP Fit Center 2410 is at -2.072981 -4.212866 1.594139 ESP Fit Center 2411 is at -1.792486 -3.901344 1.594139 ESP Fit Center 2412 is at -1.582889 -3.538311 1.594139 ESP Fit Center 2413 is at -1.453351 -3.139634 1.594139 ESP Fit Center 2414 is at -1.260209 -2.722737 1.208690 ESP Fit Center 2415 is at -1.301607 -2.302417 1.208690 ESP Fit Center 2416 is at -2.217729 -4.514129 1.208690 ESP Fit Center 2417 is at -1.891245 -4.246191 1.208690 ESP Fit Center 2418 is at -1.623306 -3.919707 1.208690 ESP Fit Center 2419 is at -1.424210 -3.547224 1.208690 ESP Fit Center 2420 is at -1.301607 -3.143057 1.208690 ESP Fit Center 2421 is at -2.120914 -4.539603 0.802366 ESP Fit Center 2422 is at -1.800450 -4.261920 0.802366 ESP Fit Center 2423 is at -1.538329 -3.928606 0.802366 ESP Fit Center 2424 is at -1.344026 -3.551709 0.802366 ESP Fit Center 2425 is at -1.224561 -3.144851 0.802366 ESP Fit Center 2426 is at -2.120914 -4.539603 0.389004 ESP Fit Center 2427 is at -1.800450 -4.261920 0.389004 ESP Fit Center 2428 is at -1.538329 -3.928606 0.389004 ESP Fit Center 2429 is at -1.344026 -3.551709 0.389004 ESP Fit Center 2430 is at -1.224561 -3.144851 0.389004 ESP Fit Center 2431 is at -2.217729 -4.514129 -0.017320 ESP Fit Center 2432 is at -1.891245 -4.246191 -0.017320 ESP Fit Center 2433 is at -1.623306 -3.919707 -0.017320 ESP Fit Center 2434 is at -1.424210 -3.547224 -0.017320 ESP Fit Center 2435 is at -2.412116 -4.459261 -0.402769 ESP Fit Center 2436 is at -2.072981 -4.212866 -0.402769 ESP Fit Center 2437 is at -1.792486 -3.901344 -0.402769 ESP Fit Center 2438 is at -1.582889 -3.538311 -0.402769 ESP Fit Center 2439 is at -2.706683 -4.364102 -0.754217 ESP Fit Center 2440 is at -2.347243 -4.156579 -0.754217 ESP Fit Center 2441 is at -2.045349 -3.871757 -0.754217 ESP Fit Center 2442 is at -1.817278 -3.524992 -0.754217 ESP Fit Center 2443 is at -3.199935 -4.216455 -1.059695 ESP Fit Center 2444 is at -2.787805 -4.095443 -1.059695 ESP Fit Center 2445 is at -2.426463 -3.863222 -1.059695 ESP Fit Center 2446 is at -2.145181 -3.538606 -1.059695 ESP Fit Center 2447 is at -3.305895 -3.896915 -1.308801 ESP Fit Center 2448 is at -2.889081 -3.778321 -1.308801 ESP Fit Center 2449 is at -2.543254 -3.517164 -1.308801 ESP Fit Center 2450 is at -2.315120 -3.148716 -1.308801 ESP Fit Center 2451 is at -1.439435 2.907346 2.681536 ESP Fit Center 2452 is at -1.027836 2.907346 2.643396 ESP Fit Center 2453 is at -1.233635 3.263801 2.643396 ESP Fit Center 2454 is at -1.645234 3.263801 2.643396 ESP Fit Center 2455 is at -1.851034 2.907346 2.643396 ESP Fit Center 2456 is at -1.645234 2.550891 2.643396 ESP Fit Center 2457 is at -1.233635 2.550891 2.643396 ESP Fit Center 2458 is at -0.630253 2.907346 2.530274 ESP Fit Center 2459 is at -0.738663 3.311937 2.530274 ESP Fit Center 2460 is at -1.034844 3.608118 2.530274 ESP Fit Center 2461 is at -1.439435 3.716527 2.530274 ESP Fit Center 2462 is at -1.844025 3.608118 2.530274 ESP Fit Center 2463 is at -2.140206 3.311937 2.530274 ESP Fit Center 2464 is at -1.034844 2.206575 2.530274 ESP Fit Center 2465 is at -0.738663 2.502755 2.530274 ESP Fit Center 2466 is at -0.260227 2.907346 2.346023 ESP Fit Center 2467 is at -0.339856 3.333325 2.346023 ESP Fit Center 2468 is at -0.567989 3.701773 2.346023 ESP Fit Center 2469 is at -0.913816 3.962930 2.346023 ESP Fit Center 2470 is at -1.330631 4.081524 2.346023 ESP Fit Center 2471 is at -1.762140 4.041539 2.346023 ESP Fit Center 2472 is at -2.150066 3.848374 2.346023 ESP Fit Center 2473 is at -2.442018 3.528119 2.346023 ESP Fit Center 2474 is at -0.567989 2.112919 2.346023 ESP Fit Center 2475 is at -0.339856 2.481367 2.346023 ESP Fit Center 2476 is at 0.069644 2.907346 2.096916 ESP Fit Center 2477 is at 0.008515 3.332503 2.096916 ESP Fit Center 2478 is at -0.169917 3.723215 2.096916 ESP Fit Center 2479 is at -0.451199 4.047831 2.096916 ESP Fit Center 2480 is at -0.812541 4.280052 2.096916 ESP Fit Center 2481 is at -1.224670 4.401064 2.096916 ESP Fit Center 2482 is at -1.654199 4.401064 2.096916 ESP Fit Center 2483 is at -2.066328 4.280052 2.096916 ESP Fit Center 2484 is at -2.427671 4.047831 2.096916 ESP Fit Center 2485 is at -0.169917 2.091477 2.096916 ESP Fit Center 2486 is at 0.008515 2.482190 2.096916 ESP Fit Center 2487 is at 0.348124 2.907346 1.791438 ESP Fit Center 2488 is at 0.299940 3.319586 1.791438 ESP Fit Center 2489 is at 0.157986 3.709601 1.791438 ESP Fit Center 2490 is at -0.070085 4.056367 1.791438 ESP Fit Center 2491 is at -0.371979 4.341188 1.791438 ESP Fit Center 2492 is at -0.731419 4.548711 1.791438 ESP Fit Center 2493 is at -1.129028 4.667748 1.791438 ESP Fit Center 2494 is at -1.543372 4.691880 1.791438 ESP Fit Center 2495 is at -1.952112 4.619809 1.791438 ESP Fit Center 2496 is at -2.333214 4.455417 1.791438 ESP Fit Center 2497 is at -2.666132 4.207569 1.791438 ESP Fit Center 2498 is at -0.070085 1.758326 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Center 2609 is at -2.944211 3.105142 -1.468099 ESP Fit Center 2610 is at -3.251254 2.818384 -1.468099 ESP Fit Center 2611 is at -2.262950 3.026580 -1.708053 ESP Fit Center 2612 is at -2.654572 2.884041 -1.708053 ESP Fit Center 2613 is at -2.973825 2.616156 -1.708053 ESP Fit Center 2614 is at -3.182203 2.255235 -1.708053 ESP Fit Center 2615 is at -3.254572 1.844810 -1.708053 ESP Fit Center 2616 is at -3.182203 1.434386 -1.708053 ESP Fit Center 2617 is at -1.343696 2.255235 -1.884855 ESP Fit Center 2618 is at -1.644148 2.555686 -1.884855 ESP Fit Center 2619 is at -2.054572 2.665659 -1.884855 ESP Fit Center 2620 is at -2.464996 2.555686 -1.884855 ESP Fit Center 2621 is at -2.765447 2.255235 -1.884855 ESP Fit Center 2622 is at -2.875420 1.844810 -1.884855 ESP Fit Center 2623 is at -1.846194 2.205731 -1.993131 ESP Fit Center 2624 is at -2.262950 2.205731 -1.993131 ESP Fit Center 2625 is at -2.471327 1.844810 -1.993131 ESP Fit Center 2626 is at -3.329720 1.821500 3.145533 ESP Fit Center 2627 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Center 2664 is at -3.857009 3.582770 -0.797158 ESP Fit Center 2665 is at -4.248973 3.413693 -0.797158 ESP Fit Center 2666 is at -4.591380 3.158781 -0.797158 ESP Fit Center 2667 is at -4.865770 2.831776 -0.797158 ESP Fit Center 2668 is at -5.057351 2.450306 -0.797158 ESP Fit Center 2669 is at -3.434997 3.360594 -1.092974 ESP Fit Center 2670 is at -3.846335 3.275117 -1.092974 ESP Fit Center 2671 is at -4.219359 3.081831 -1.092974 ESP Fit Center 2672 is at -4.526402 2.795073 -1.092974 ESP Fit Center 2673 is at -4.744693 2.436109 -1.092974 ESP Fit Center 2674 is at -3.538098 3.003269 -1.332928 ESP Fit Center 2675 is at -3.929720 2.860730 -1.332928 ESP Fit Center 2676 is at -4.248973 2.592845 -1.332928 ESP Fit Center 2677 is at -4.457351 2.231924 -1.332928 ESP Fit Center 2678 is at -3.329720 2.642348 -1.509730 ESP Fit Center 2679 is at -3.740144 2.532375 -1.509730 ESP Fit Center 2680 is at -4.040595 2.231924 -1.509730 ESP Fit Center 2681 is at -4.150568 1.821500 -1.509730 ESP Fit Center 2682 is at -3.538098 2.182421 -1.618006 ESP Fit Center 2683 is at -3.746475 1.821500 -1.618006 ESP Fit Center 2684 is at -3.538098 1.460579 -1.618006 ESP Fit Center 2685 is at -4.059337 0.679171 3.087949 ESP Fit Center 2686 is at -3.642581 0.679171 3.051488 ESP Fit Center 2687 is at -3.850959 1.040092 3.051488 ESP Fit Center 2688 is at -4.267715 1.040092 3.051488 ESP Fit Center 2689 is at -4.267715 0.318250 3.051488 ESP Fit Center 2690 is at -3.850959 0.318250 3.051488 ESP Fit Center 2691 is at -3.238488 0.679171 2.943212 ESP Fit Center 2692 is at -4.059337 -0.141677 2.943212 ESP Fit Center 2693 is at -3.648913 -0.031704 2.943212 ESP Fit Center 2694 is at -3.348461 0.268747 2.943212 ESP Fit Center 2695 is at -4.267715 -0.502598 2.766410 ESP Fit Center 2696 is at -3.850959 -0.502598 2.766410 ESP Fit Center 2697 is at -3.459337 -0.360059 2.766410 ESP Fit Center 2698 is at -3.140083 -0.092174 2.766410 ESP Fit Center 2699 is at -2.931706 0.268747 2.766410 ESP Fit Center 2700 is at 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Center 2737 is at -4.373818 1.468072 2.949332 ESP Fit Center 2738 is at -4.719645 1.729229 2.949332 ESP Fit Center 2739 is at -5.136460 1.847823 2.949332 ESP Fit Center 2740 is at -5.567969 1.807838 2.949332 ESP Fit Center 2741 is at -5.955895 1.614673 2.949332 ESP Fit Center 2742 is at -6.247847 1.294418 2.949332 ESP Fit Center 2743 is at -6.404393 0.890324 2.949332 ESP Fit Center 2744 is at -6.404393 0.456966 2.949332 ESP Fit Center 2745 is at -6.247847 0.052872 2.949332 ESP Fit Center 2746 is at -5.955895 -0.267383 2.949332 ESP Fit Center 2747 is at -5.567969 -0.460548 2.949332 ESP Fit Center 2748 is at -5.136460 -0.500533 2.949332 ESP Fit Center 2749 is at -4.719645 -0.381939 2.949332 ESP Fit Center 2750 is at -4.373818 -0.120782 2.949332 ESP Fit Center 2751 is at -5.030499 2.167363 2.700225 ESP Fit Center 2752 is at -5.460028 2.167363 2.700225 ESP Fit Center 2753 is at -5.872157 2.046351 2.700225 ESP Fit Center 2754 is at -6.233500 1.814130 2.700225 ESP Fit Center 2755 is at 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1.451590 ESP Fit Center 3408 is at -3.756472 -5.267653 1.451590 ESP Fit Center 3409 is at -3.351567 -5.167853 1.451590 ESP Fit Center 3410 is at -2.982311 -4.974053 1.451590 ESP Fit Center 3411 is at -2.670165 -4.697515 1.451590 ESP Fit Center 3412 is at -5.836845 -3.550406 1.045774 ESP Fit Center 3413 is at -5.789914 -3.966934 1.045774 ESP Fit Center 3414 is at -5.651473 -4.362576 1.045774 ESP Fit Center 3415 is at -5.428464 -4.717492 1.045774 ESP Fit Center 3416 is at -5.132070 -5.013886 1.045774 ESP Fit Center 3417 is at -4.777154 -5.236895 1.045774 ESP Fit Center 3418 is at -4.381512 -5.375336 1.045774 ESP Fit Center 3419 is at -3.964983 -5.422267 1.045774 ESP Fit Center 3420 is at -3.548455 -5.375336 1.045774 ESP Fit Center 3421 is at -3.152813 -5.236895 1.045774 ESP Fit Center 3422 is at -2.797897 -5.013886 1.045774 ESP Fit Center 3423 is at -5.873728 -3.757994 0.618533 ESP Fit Center 3424 is at -5.784478 -4.163465 0.618533 ESP Fit Center 3425 is at -5.610149 -4.540269 0.618533 ESP Fit Center 3426 is at -5.358895 -4.870789 0.618533 ESP Fit Center 3427 is at -5.042463 -5.139569 0.618533 ESP Fit Center 3428 is at -4.675649 -5.334041 0.618533 ESP Fit Center 3429 is at -4.275605 -5.445113 0.618533 ESP Fit Center 3430 is at -3.861037 -5.467590 0.618533 ESP Fit Center 3431 is at -3.451329 -5.400422 0.618533 ESP Fit Center 3432 is at -3.065639 -5.246749 0.618533 ESP Fit Center 3433 is at -2.722002 -5.013757 0.618533 ESP Fit Center 3434 is at -5.651473 -4.362576 0.191293 ESP Fit Center 3435 is at -5.428464 -4.717492 0.191293 ESP Fit Center 3436 is at -5.132070 -5.013886 0.191293 ESP Fit Center 3437 is at -4.777154 -5.236895 0.191293 ESP Fit Center 3438 is at -4.381512 -5.375336 0.191293 ESP Fit Center 3439 is at -3.964983 -5.422267 0.191293 ESP Fit Center 3440 is at -3.548455 -5.375336 0.191293 ESP Fit Center 3441 is at -3.152813 -5.236895 0.191293 ESP Fit Center 3442 is at -2.797897 -5.013886 0.191293 ESP Fit Center 3443 is at -5.259802 -4.697515 -0.214523 ESP Fit Center 3444 is at -4.947656 -4.974053 -0.214523 ESP Fit Center 3445 is at -4.578400 -5.167853 -0.214523 ESP Fit Center 3446 is at -4.173495 -5.267653 -0.214523 ESP Fit Center 3447 is at -3.756472 -5.267653 -0.214523 ESP Fit Center 3448 is at -3.351567 -5.167853 -0.214523 ESP Fit Center 3449 is at -2.982311 -4.974053 -0.214523 ESP Fit Center 3450 is at -2.670165 -4.697515 -0.214523 ESP Fit Center 3451 is at -4.948006 -4.684874 -0.578567 ESP Fit Center 3452 is at -4.588570 -4.915869 -0.578567 ESP Fit Center 3453 is at -4.178615 -5.036243 -0.578567 ESP Fit Center 3454 is at -3.751352 -5.036243 -0.578567 ESP Fit Center 3455 is at -3.341397 -4.915869 -0.578567 ESP Fit Center 3456 is at -2.981961 -4.684874 -0.578567 ESP Fit Center 3457 is at -4.563534 -4.587125 -0.882583 ESP Fit Center 3458 is at -4.172858 -4.729320 -0.882583 ESP Fit Center 3459 is at -3.757109 -4.729320 -0.882583 ESP Fit Center 3460 is at -3.366433 -4.587125 -0.882583 ESP Fit Center 3461 is at -3.964983 -4.383463 -1.111327 ESP Fit Center 3462 is at -3.548455 -4.271854 -1.111327 ESP Fit Center 3463 is at 0.631039 -0.732812 1.397735 ESP Fit Center 3464 is at 1.047794 -0.732812 1.361273 ESP Fit Center 3465 is at 0.422661 -1.093733 1.361273 ESP Fit Center 3466 is at 0.839416 -1.093733 1.361273 ESP Fit Center 3467 is at 1.451887 -0.732812 1.252997 ESP Fit Center 3468 is at -0.079837 -1.143236 1.252997 ESP Fit Center 3469 is at 0.220614 -1.443687 1.252997 ESP Fit Center 3470 is at 0.631039 -1.553660 1.252997 ESP Fit Center 3471 is at 1.041463 -1.443687 1.252997 ESP Fit Center 3472 is at 1.341914 -1.143236 1.252997 ESP Fit Center 3473 is at 1.831039 -0.732812 1.076196 ESP Fit Center 3474 is at 1.758670 -0.322388 1.076196 ESP Fit Center 3475 is at -0.288215 -1.504157 1.076196 ESP Fit Center 3476 is at 0.031039 -1.772042 1.076196 ESP Fit Center 3477 is at 0.422661 -1.914581 1.076196 ESP Fit Center 3478 is at 0.839416 -1.914581 1.076196 ESP Fit Center 3479 is at 1.231039 -1.772042 1.076196 ESP Fit Center 3480 is at 1.550292 -1.504157 1.076196 ESP Fit Center 3481 is at 1.758670 -1.143236 1.076196 ESP Fit Center 3482 is at 0.114423 -2.186429 0.836241 ESP Fit Center 3483 is at 0.525762 -2.271906 0.836241 ESP Fit Center 3484 is at 0.944908 -2.243235 0.836241 ESP Fit Center 3485 is at 1.340776 -2.102544 0.836241 ESP Fit Center 3486 is at 1.684007 -1.860265 0.836241 ESP Fit Center 3487 is at 0.950292 -2.543388 0.540425 ESP Fit Center 3488 is at 1.359234 -2.420958 0.540425 ESP Fit Center 3489 is at 0.945775 -2.787305 0.197735 ESP Fit Center 3490 is at 1.352899 -2.681893 0.197735 ESP Fit Center 3491 is at 1.162737 -2.924502 -0.181417 ESP Fit Center 3492 is at -1.195037 -0.519374 -2.544955 ESP Fit Center 3493 is at -1.195037 -0.946250 -2.544955 ESP Fit Center 3494 is at -0.783934 -0.118202 -2.840772 ESP Fit Center 3495 is at -0.897283 -0.522749 -2.840772 ESP Fit Center 3496 is at -0.897283 -0.942875 -2.840772 ESP Fit Center 3497 is at -0.783934 -1.347421 -2.840772 ESP Fit Center 3498 is at -0.565644 -1.706385 -2.840772 ESP Fit Center 3499 is at 0.525762 -2.271906 -2.840772 ESP Fit Center 3500 is at 0.422661 0.448957 -3.080726 ESP Fit Center 3501 is at 0.031039 0.306419 -3.080726 ESP Fit Center 3502 is at -0.288215 0.038533 -3.080726 ESP Fit Center 3503 is at -0.496593 -0.322388 -3.080726 ESP Fit Center 3504 is at -0.568961 -0.732812 -3.080726 ESP Fit Center 3505 is at -0.496593 -1.143236 -3.080726 ESP Fit Center 3506 is at -0.288215 -1.504157 -3.080726 ESP Fit Center 3507 is at 0.031039 -1.772042 -3.080726 ESP Fit Center 3508 is at 0.422661 -1.914581 -3.080726 ESP Fit Center 3509 is at 0.631039 0.088036 -3.257528 ESP Fit Center 3510 is at 0.220614 -0.021936 -3.257528 ESP Fit Center 3511 is at -0.079837 -0.322388 -3.257528 ESP Fit Center 3512 is at -0.189810 -0.732812 -3.257528 ESP Fit Center 3513 is at -0.079837 -1.143236 -3.257528 ESP Fit Center 3514 is at 0.220614 -1.443687 -3.257528 ESP Fit Center 3515 is at 0.422661 -0.371891 -3.365804 ESP Fit Center 3516 is at 0.214283 -0.732812 -3.365804 ESP Fit Center 3517 is at 0.422661 -1.093733 -3.365804 ESP Fit Center 3518 is at 2.110316 -0.436911 0.972821 ESP Fit Center 3519 is at 2.110316 -1.158753 0.972821 ESP Fit Center 3520 is at 1.901938 -1.618680 0.864544 ESP Fit Center 3521 is at 2.312362 -1.508708 0.864544 ESP Fit Center 3522 is at 2.110316 -1.979601 0.687743 ESP Fit Center 3523 is at 2.501938 -1.837063 0.687743 ESP Fit Center 3524 is at 1.796661 -2.336926 0.447789 ESP Fit Center 3525 is at 2.215808 -2.308256 0.447789 ESP Fit Center 3526 is at 2.611676 -2.167564 0.447789 ESP Fit Center 3527 is at 2.954906 -1.925286 0.447789 ESP Fit Center 3528 is at 1.795038 -2.633228 0.151972 ESP Fit Center 3529 is at 2.221191 -2.608408 0.151972 ESP Fit Center 3530 is at 2.630133 -2.485979 0.151972 ESP Fit Center 3531 is at 2.999818 -2.272541 0.151972 ESP Fit Center 3532 is at 1.796666 -2.873625 -0.190718 ESP Fit Center 3533 is at 0.982685 -2.390026 -2.933408 ESP Fit Center 3534 is at 1.012299 0.462499 -3.229225 ESP Fit Center 3535 is at 0.705256 0.175741 -3.229225 ESP Fit Center 3536 is at 0.705256 -1.771405 -3.229225 ESP Fit Center 3537 is at 1.012299 -2.058164 -3.229225 ESP Fit Center 3538 is at 1.301938 0.241398 -3.469179 ESP Fit Center 3539 is at 0.982685 -0.026487 -3.469179 ESP Fit Center 3540 is at 0.774307 -0.387408 -3.469179 ESP Fit Center 3541 is at 0.701938 -0.797832 -3.469179 ESP Fit Center 3542 is at 0.774307 -1.208256 -3.469179 ESP Fit Center 3543 is at 0.982685 -1.569177 -3.469179 ESP Fit Center 3544 is at 1.301938 -1.837063 -3.469179 ESP Fit Center 3545 is at 1.901938 0.023016 -3.645980 ESP Fit Center 3546 is at 1.491514 -0.086957 -3.645980 ESP Fit Center 3547 is at 1.191063 -0.387408 -3.645980 ESP Fit Center 3548 is at 1.081090 -0.797832 -3.645980 ESP Fit Center 3549 is at 1.191063 -1.208256 -3.645980 ESP Fit Center 3550 is at 1.491514 -1.508708 -3.645980 ESP Fit Center 3551 is at 1.901938 -1.618680 -3.645980 ESP Fit Center 3552 is at 2.312362 -1.508708 -3.645980 ESP Fit Center 3553 is at 2.612814 -1.208256 -3.645980 ESP Fit Center 3554 is at 2.318694 -0.797832 -3.754257 ESP Fit Center 3555 is at 2.110316 -0.436911 -3.754257 ESP Fit Center 3556 is at 1.693560 -0.436911 -3.754257 ESP Fit Center 3557 is at 1.485182 -0.797832 -3.754257 ESP Fit Center 3558 is at 1.693560 -1.158753 -3.754257 ESP Fit Center 3559 is at 2.110316 -1.158753 -3.754257 ESP Fit Center 3560 is at 1.901938 -0.797832 -3.790718 ESP Fit Center 3561 is at 2.026693 -0.009061 0.878570 ESP Fit Center 3562 is at 1.322595 1.015973 -3.215199 ESP Fit Center 3563 is at 1.209247 0.611427 -3.215199 ESP Fit Center 3564 is at 2.529191 1.583133 -3.455154 ESP Fit Center 3565 is at 2.137568 1.440594 -3.455154 ESP Fit Center 3566 is at 1.818315 1.172709 -3.455154 ESP Fit Center 3567 is at 1.609937 0.811788 -3.455154 ESP Fit Center 3568 is at 1.537568 0.401364 -3.455154 ESP Fit Center 3569 is at 2.737568 1.222212 -3.631955 ESP Fit Center 3570 is at 2.327144 1.112239 -3.631955 ESP Fit Center 3571 is at 2.026693 0.811788 -3.631955 ESP Fit Center 3572 is at 1.916720 0.401364 -3.631955 ESP Fit Center 3573 is at 2.529191 0.762285 -3.740231 ESP Fit Center 3574 is at 2.320813 0.401364 -3.740231 ESP Fit Center 3575 is at 2.221487 1.562041 1.420984 ESP Fit Center 3576 is at 2.638242 1.562041 1.384522 ESP Fit Center 3577 is at 2.429864 1.922962 1.384522 ESP Fit Center 3578 is at 2.429864 1.201120 1.384522 ESP Fit Center 3579 is at 3.042335 1.562041 1.276246 ESP Fit Center 3580 is at 2.932362 1.972465 1.276246 ESP Fit Center 3581 is at 2.631911 2.272916 1.276246 ESP Fit Center 3582 is at 2.221487 2.382889 1.276246 ESP Fit Center 3583 is at 2.221487 0.741192 1.276246 ESP Fit Center 3584 is at 3.349118 1.972465 1.099445 ESP Fit Center 3585 is at 3.140740 2.333386 1.099445 ESP Fit Center 3586 is at 2.821487 2.601271 1.099445 ESP Fit Center 3587 is at 2.429864 2.743810 1.099445 ESP Fit Center 3588 is at 3.706970 1.978253 0.859490 ESP Fit Center 3589 is at 3.539591 2.363598 0.859490 ESP Fit Center 3590 is at 2.535356 3.072464 0.859490 ESP Fit Center 3591 is at 2.116210 3.101135 0.859490 ESP Fit Center 3592 is at 2.114587 3.397437 0.563674 ESP Fit Center 3593 is at 1.483863 3.693265 -1.799865 ESP Fit Center 3594 is at 1.700515 3.574151 -2.179016 ESP Fit Center 3595 is at 1.306145 3.428092 -2.179016 ESP Fit Center 3596 is at 2.114587 3.397437 -2.521706 ESP Fit Center 3597 is at 1.694197 3.323311 -2.521706 ESP Fit Center 3598 is at 1.302233 3.154234 -2.521706 ESP Fit Center 3599 is at 2.535356 3.072464 -2.817523 ESP Fit Center 3600 is at 2.116210 3.101135 -2.817523 ESP Fit Center 3601 is at 1.704871 3.015657 -2.817523 ESP Fit Center 3602 is at 1.331848 2.822372 -2.817523 ESP Fit Center 3603 is at 1.024804 2.535614 -2.817523 ESP Fit Center 3604 is at 3.140740 2.333386 -3.057477 ESP Fit Center 3605 is at 2.821487 2.601271 -3.057477 ESP Fit Center 3606 is at 2.429864 2.743810 -3.057477 ESP Fit Center 3607 is at 2.013109 2.743810 -3.057477 ESP Fit Center 3608 is at 1.621487 2.601271 -3.057477 ESP Fit Center 3609 is at 1.302233 2.333386 -3.057477 ESP Fit Center 3610 is at 1.093855 1.972465 -3.057477 ESP Fit Center 3611 is at 1.021487 1.562041 -3.057477 ESP Fit Center 3612 is at 1.093855 1.151616 -3.057477 ESP Fit Center 3613 is at 2.932362 1.972465 -3.234279 ESP Fit Center 3614 is at 2.631911 2.272916 -3.234279 ESP Fit Center 3615 is at 2.221487 2.382889 -3.234279 ESP Fit Center 3616 is at 1.811062 2.272916 -3.234279 ESP Fit Center 3617 is at 1.510611 1.972465 -3.234279 ESP Fit Center 3618 is at 1.400638 1.562041 -3.234279 ESP Fit Center 3619 is at 2.429864 1.922962 -3.342555 ESP Fit Center 3620 is at 2.013109 1.922962 -3.342555 ESP Fit Center 3621 is at 1.804731 1.562041 -3.342555 ESP Fit Center 3622 is at 0.822211 1.640078 1.853301 ESP Fit Center 3623 is at 1.238966 1.640078 1.816840 ESP Fit Center 3624 is at 1.030589 2.000999 1.816840 ESP Fit Center 3625 is at 0.613833 2.000999 1.816840 ESP Fit Center 3626 is at 0.405455 1.640078 1.816840 ESP Fit Center 3627 is at 0.613833 1.279157 1.816840 ESP Fit Center 3628 is at 1.030589 1.279157 1.816840 ESP Fit Center 3629 is at 1.643059 1.640078 1.708563 ESP Fit Center 3630 is at 1.533086 2.050502 1.708563 ESP Fit Center 3631 is at 1.232635 2.350953 1.708563 ESP Fit Center 3632 is at 0.822211 2.460926 1.708563 ESP Fit Center 3633 is at 0.411787 2.350953 1.708563 ESP Fit Center 3634 is at 0.001362 1.640078 1.708563 ESP Fit Center 3635 is at 0.822211 0.819229 1.708563 ESP Fit Center 3636 is at 1.232635 0.929202 1.708563 ESP Fit Center 3637 is at 1.533086 1.229654 1.708563 ESP Fit Center 3638 is at 2.022211 1.640078 1.531762 ESP Fit Center 3639 is at 1.949842 2.050502 1.531762 ESP Fit Center 3640 is at 1.741464 2.411423 1.531762 ESP Fit Center 3641 is at 1.422211 2.679308 1.531762 ESP Fit Center 3642 is at 1.422211 0.600847 1.531762 ESP Fit Center 3643 is at 1.741464 0.868733 1.531762 ESP Fit Center 3644 is at 1.949842 1.229654 1.531762 ESP Fit Center 3645 is at 2.140315 2.441635 1.291808 ESP Fit Center 3646 is at 1.875179 2.767531 1.291808 ESP Fit Center 3647 is at 1.531949 3.009810 1.291808 ESP Fit Center 3648 is at 1.875179 0.512624 1.291808 ESP Fit Center 3649 is at 1.920091 3.114787 0.995991 ESP Fit Center 3650 is at 1.920091 0.165369 0.995991 ESP Fit Center 3651 is at 1.921642 3.403952 0.653301 ESP Fit Center 3652 is at 1.353909 3.831768 -1.367547 ESP Fit Center 3653 is at 1.136947 3.694571 -1.746699 ESP Fit Center 3654 is at 0.716938 3.715871 -1.746699 ESP Fit Center 3655 is at -0.754838 2.993930 -1.746699 ESP Fit Center 3656 is at -0.995085 2.648759 -1.746699 ESP Fit Center 3657 is at 1.141464 3.450653 -2.089389 ESP Fit Center 3658 is at 0.715311 3.475474 -2.089389 ESP Fit Center 3659 is at 0.294921 3.401348 -2.089389 ESP Fit Center 3660 is at -0.097043 3.232271 -2.089389 ESP Fit Center 3661 is at -0.439449 2.977359 -2.089389 ESP Fit Center 3662 is at -0.713839 2.650354 -2.089389 ESP Fit Center 3663 is at -0.905420 2.268884 -2.089389 ESP Fit Center 3664 is at 0.716934 3.179172 -2.385206 ESP Fit Center 3665 is at 0.305595 3.093695 -2.385206 ESP Fit Center 3666 is at -0.067428 2.900409 -2.385206 ESP Fit Center 3667 is at -0.374472 2.613651 -2.385206 ESP Fit Center 3668 is at -0.592762 2.254687 -2.385206 ESP Fit Center 3669 is at 0.613833 2.821847 -2.625160 ESP Fit Center 3670 is at 0.222211 2.679308 -2.625160 ESP Fit Center 3671 is at -0.097043 2.411423 -2.625160 ESP Fit Center 3672 is at -0.305420 2.050502 -2.625160 ESP Fit Center 3673 is at 0.822211 2.460926 -2.801961 ESP Fit Center 3674 is at 0.411787 2.350953 -2.801961 ESP Fit Center 3675 is at 0.111335 2.050502 -2.801961 ESP Fit Center 3676 is at 0.001362 1.640078 -2.801961 ESP Fit Center 3677 is at 0.613833 2.000999 -2.910238 ESP Fit Center 3678 is at 0.405455 1.640078 -2.910238 ESP Fit Center 3679 is at 0.613833 1.279157 -2.910238 ESP Fit Center 3680 is at 0.822211 1.640078 -2.946699 ESP Fit Center 3681 is at -0.377320 -2.330772 0.712242 ESP Fit Center 3682 is at 0.039208 -2.442381 0.712242 ESP Fit Center 3683 is at -0.559342 -2.646043 0.483499 ESP Fit Center 3684 is at -0.168666 -2.788238 0.483499 ESP Fit Center 3685 is at 0.247083 -2.788238 0.483499 ESP Fit Center 3686 is at 0.637759 -2.646043 0.483499 ESP Fit Center 3687 is at -0.584378 -2.974788 0.179483 ESP Fit Center 3688 is at -0.174423 -3.095161 0.179483 ESP Fit Center 3689 is at 0.252840 -3.095161 0.179483 ESP Fit Center 3690 is at 0.662795 -2.974788 0.179483 ESP Fit Center 3691 is at -0.574208 -3.226771 -0.184561 ESP Fit Center 3692 is at -0.169303 -3.326572 -0.184561 ESP Fit Center 3693 is at 0.247720 -3.326572 -0.184561 ESP Fit Center 3694 is at 0.652625 -3.226771 -0.184561 ESP Fit Center 3695 is at 1.021881 -3.032971 -0.184561 ESP Fit Center 3696 is at -0.772962 -3.295813 -0.590378 ESP Fit Center 3697 is at -0.377320 -3.434254 -0.590378 ESP Fit Center 3698 is at 0.039208 -3.481186 -0.590378 ESP Fit Center 3699 is at 0.455737 -3.434254 -0.590378 ESP Fit Center 3700 is at 0.851379 -3.295813 -0.590378 ESP Fit Center 3701 is at 1.206295 -3.072804 -0.590378 ESP Fit Center 3702 is at -1.038271 -3.198487 -1.017618 ESP Fit Center 3703 is at -0.671457 -3.392959 -1.017618 ESP Fit Center 3704 is at -0.271413 -3.504031 -1.017618 ESP Fit Center 3705 is at 0.143155 -3.526508 -1.017618 ESP Fit Center 3706 is at 0.552863 -3.459340 -1.017618 ESP Fit Center 3707 is at 0.938553 -3.305667 -1.017618 ESP Fit Center 3708 is at -1.127878 -3.072804 -1.444858 ESP Fit Center 3709 is at -0.772962 -3.295813 -1.444858 ESP Fit Center 3710 is at -0.377320 -3.434254 -1.444858 ESP Fit Center 3711 is at 0.039208 -3.481186 -1.444858 ESP Fit Center 3712 is at 0.455737 -3.434254 -1.444858 ESP Fit Center 3713 is at 0.851379 -3.295813 -1.444858 ESP Fit Center 3714 is at -1.255611 -2.756434 -1.850675 ESP Fit Center 3715 is at -0.943464 -3.032971 -1.850675 ESP Fit Center 3716 is at -0.574208 -3.226771 -1.850675 ESP Fit Center 3717 is at -0.169303 -3.326572 -1.850675 ESP Fit Center 3718 is at 0.247720 -3.326572 -1.850675 ESP Fit Center 3719 is at 0.652625 -3.226771 -1.850675 ESP Fit Center 3720 is at -1.223611 -2.420889 -2.214718 ESP Fit Center 3721 is at -0.943814 -2.743792 -2.214718 ESP Fit Center 3722 is at -0.584378 -2.974788 -2.214718 ESP Fit Center 3723 is at -0.174423 -3.095161 -2.214718 ESP Fit Center 3724 is at 0.252840 -3.095161 -2.214718 ESP Fit Center 3725 is at 0.662795 -2.974788 -2.214718 ESP Fit Center 3726 is at -1.157892 -1.609324 -2.518734 ESP Fit Center 3727 is at -1.085698 -2.018756 -2.518734 ESP Fit Center 3728 is at -0.877824 -2.378805 -2.518734 ESP Fit Center 3729 is at -0.559342 -2.646043 -2.518734 ESP Fit Center 3730 is at -0.168666 -2.788238 -2.518734 ESP Fit Center 3731 is at 0.247083 -2.788238 -2.518734 ESP Fit Center 3732 is at 0.637759 -2.646043 -2.518734 ESP Fit Center 3733 is at -0.793848 -1.609324 -2.747478 ESP Fit Center 3734 is at -0.682240 -2.025852 -2.747478 ESP Fit Center 3735 is at -0.377320 -2.330772 -2.747478 ESP Fit Center 3736 is at 0.039208 -2.442381 -2.747478 ESP Fit Center 3737 is at -0.174412 -1.979325 -2.889479 ESP Fit Center 3738 is at 2.101944 -2.903299 -0.213120 ESP Fit Center 3739 is at 2.517693 -2.903299 -0.213120 ESP Fit Center 3740 is at 2.908369 -2.761105 -0.213120 ESP Fit Center 3741 is at 1.686232 -3.089849 -0.517136 ESP Fit Center 3742 is at 2.096187 -3.210222 -0.517136 ESP Fit Center 3743 is at 2.523449 -3.210222 -0.517136 ESP Fit Center 3744 is at 2.933405 -3.089849 -0.517136 ESP Fit Center 3745 is at 1.327146 -3.148032 -0.881180 ESP Fit Center 3746 is at 1.696401 -3.341833 -0.881180 ESP Fit Center 3747 is at 2.101307 -3.441633 -0.881180 ESP Fit Center 3748 is at 2.518330 -3.441633 -0.881180 ESP Fit Center 3749 is at 2.923235 -3.341833 -0.881180 ESP Fit Center 3750 is at 3.292491 -3.148032 -0.881180 ESP Fit Center 3751 is at 1.142732 -3.187866 -1.286996 ESP Fit Center 3752 is at 1.497648 -3.410874 -1.286996 ESP Fit Center 3753 is at 1.893290 -3.549315 -1.286996 ESP Fit Center 3754 is at 2.309818 -3.596247 -1.286996 ESP Fit Center 3755 is at 2.726347 -3.549315 -1.286996 ESP Fit Center 3756 is at 3.121989 -3.410874 -1.286996 ESP Fit Center 3757 is at 1.232339 -3.313548 -1.714236 ESP Fit Center 3758 is at 1.599153 -3.508021 -1.714236 ESP Fit Center 3759 is at 1.999197 -3.619092 -1.714236 ESP Fit Center 3760 is at 2.413765 -3.641569 -1.714236 ESP Fit Center 3761 is at 2.823473 -3.574401 -1.714236 ESP Fit Center 3762 is at 3.209163 -3.420728 -1.714236 ESP Fit Center 3763 is at 3.552800 -3.187736 -1.714236 ESP Fit Center 3764 is at 1.142732 -3.187866 -2.141477 ESP Fit Center 3765 is at 1.497648 -3.410874 -2.141477 ESP Fit Center 3766 is at 1.893290 -3.549315 -2.141477 ESP Fit Center 3767 is at 2.309818 -3.596247 -2.141477 ESP Fit Center 3768 is at 2.726347 -3.549315 -2.141477 ESP Fit Center 3769 is at 3.121989 -3.410874 -2.141477 ESP Fit Center 3770 is at 3.476905 -3.187866 -2.141477 ESP Fit Center 3771 is at 1.014999 -2.871495 -2.547293 ESP Fit Center 3772 is at 1.327146 -3.148032 -2.547293 ESP Fit Center 3773 is at 1.696401 -3.341833 -2.547293 ESP Fit Center 3774 is at 2.101307 -3.441633 -2.547293 ESP Fit Center 3775 is at 2.518330 -3.441633 -2.547293 ESP Fit Center 3776 is at 2.923235 -3.341833 -2.547293 ESP Fit Center 3777 is at 3.292491 -3.148032 -2.547293 ESP Fit Center 3778 is at 3.604637 -2.871495 -2.547293 ESP Fit Center 3779 is at 3.841533 -2.528291 -2.547293 ESP Fit Center 3780 is at 1.046999 -2.535950 -2.911337 ESP Fit Center 3781 is at 1.326796 -2.858853 -2.911337 ESP Fit Center 3782 is at 1.686232 -3.089849 -2.911337 ESP Fit Center 3783 is at 2.096187 -3.210222 -2.911337 ESP Fit Center 3784 is at 2.523449 -3.210222 -2.911337 ESP Fit Center 3785 is at 2.933405 -3.089849 -2.911337 ESP Fit Center 3786 is at 3.292841 -2.858853 -2.911337 ESP Fit Center 3787 is at 3.572638 -2.535950 -2.911337 ESP Fit Center 3788 is at 3.750129 -2.147299 -2.911337 ESP Fit Center 3789 is at 1.392786 -2.493867 -3.215353 ESP Fit Center 3790 is at 1.711268 -2.761105 -3.215353 ESP Fit Center 3791 is at 2.101944 -2.903299 -3.215353 ESP Fit Center 3792 is at 2.517693 -2.903299 -3.215353 ESP Fit Center 3793 is at 2.908369 -2.761105 -3.215353 ESP Fit Center 3794 is at 3.226850 -2.493867 -3.215353 ESP Fit Center 3795 is at 3.434725 -2.133818 -3.215353 ESP Fit Center 3796 is at 3.142875 -1.724385 -3.444097 ESP Fit Center 3797 is at 1.588370 -2.140914 -3.444097 ESP Fit Center 3798 is at 1.893290 -2.445834 -3.444097 ESP Fit Center 3799 is at 2.309818 -2.557442 -3.444097 ESP Fit Center 3800 is at 2.726347 -2.445834 -3.444097 ESP Fit Center 3801 is at 3.031267 -2.140914 -3.444097 ESP Fit Center 3802 is at 2.737059 -1.724385 -3.586098 ESP Fit Center 3803 is at 2.096198 -2.094386 -3.586098 ESP Fit Center 3804 is at 2.523438 -2.094386 -3.586098 ESP Fit Center 3805 is at 2.309818 -1.724385 -3.634236 ESP Fit Center 3806 is at 6.392785 0.757759 -2.649534 ESP Fit Center 3807 is at 6.256739 0.330948 -3.028686 ESP Fit Center 3808 is at 6.214193 0.749339 -3.028686 ESP Fit Center 3809 is at 6.016785 0.330948 -3.371376 ESP Fit Center 3810 is at 5.967228 0.754937 -3.371376 ESP Fit Center 3811 is at 5.821228 1.156068 -3.371376 ESP Fit Center 3812 is at 3.650989 2.092218 -3.371376 ESP Fit Center 3813 is at 3.259025 1.923141 -3.371376 ESP Fit Center 3814 is at 5.496383 1.132505 -3.667192 ESP Fit Center 3815 is at 5.231246 1.458401 -3.667192 ESP Fit Center 3816 is at 4.492148 1.841371 -3.667192 ESP Fit Center 3817 is at 4.073001 1.870042 -3.667192 ESP Fit Center 3818 is at 3.661663 1.784565 -3.667192 ESP Fit Center 3819 is at 3.288639 1.591279 -3.667192 ESP Fit Center 3820 is at 2.981596 1.304521 -3.667192 ESP Fit Center 3821 is at 4.386656 1.512717 -3.907147 ESP Fit Center 3822 is at 3.969900 1.512717 -3.907147 ESP Fit Center 3823 is at 3.662147 2.437183 0.754563 ESP Fit Center 3824 is at 3.550538 2.853712 0.754563 ESP Fit Center 3825 is at 3.245618 3.158632 0.754563 ESP Fit Center 3826 is at 2.829090 3.270240 0.754563 ESP Fit Center 3827 is at 4.026190 2.437183 0.525819 ESP Fit Center 3828 is at 3.953996 2.846616 0.525819 ESP Fit Center 3829 is at 3.746122 3.206665 0.525819 ESP Fit Center 3830 is at 3.427640 3.473903 0.525819 ESP Fit Center 3831 is at 3.036964 3.616097 0.525819 ESP Fit Center 3832 is at 2.621215 3.616097 0.525819 ESP Fit Center 3833 is at 2.230540 3.473903 0.525819 ESP Fit Center 3834 is at 4.330206 2.437183 0.221803 ESP Fit Center 3835 is at 4.269400 2.860097 0.221803 ESP Fit Center 3836 is at 4.091909 3.248748 0.221803 ESP Fit Center 3837 is at 3.812112 3.571651 0.221803 ESP Fit Center 3838 is at 3.452676 3.802647 0.221803 ESP Fit Center 3839 is at 3.042721 3.923020 0.221803 ESP Fit Center 3840 is at 2.615459 3.923020 0.221803 ESP Fit Center 3841 is at 2.205503 3.802647 0.221803 ESP Fit Center 3842 is at 4.558950 2.437183 -0.142240 ESP Fit Center 3843 is at 4.508683 2.851166 -0.142240 ESP Fit Center 3844 is at 4.360805 3.241089 -0.142240 ESP Fit Center 3845 is at 4.123909 3.584293 -0.142240 ESP Fit Center 3846 is at 3.811762 3.860830 -0.142240 ESP Fit Center 3847 is at 3.442507 4.054631 -0.142240 ESP Fit Center 3848 is at 3.037601 4.154431 -0.142240 ESP Fit Center 3849 is at 2.620578 4.154431 -0.142240 ESP Fit Center 3850 is at 2.215673 4.054631 -0.142240 ESP Fit Center 3851 is at 4.654020 2.853712 -0.548057 ESP Fit Center 3852 is at 4.515579 3.249354 -0.548057 ESP Fit Center 3853 is at 4.292570 3.604270 -0.548057 ESP Fit Center 3854 is at 3.996176 3.900664 -0.548057 ESP Fit Center 3855 is at 3.641260 4.123672 -0.548057 ESP Fit Center 3856 is at 3.245618 4.262113 -0.548057 ESP Fit Center 3857 is at 2.829090 4.309045 -0.548057 ESP Fit Center 3858 is at 2.412561 4.262113 -0.548057 ESP Fit Center 3859 is at 2.016919 4.123672 -0.548057 ESP Fit Center 3860 is at 4.571635 3.243370 -0.975297 ESP Fit Center 3861 is at 4.357588 3.599118 -0.975297 ESP Fit Center 3862 is at 4.072071 3.900534 -0.975297 ESP Fit Center 3863 is at 3.728434 4.133526 -0.975297 ESP Fit Center 3864 is at 3.342744 4.287199 -0.975297 ESP Fit Center 3865 is at 2.933036 4.354367 -0.975297 ESP Fit Center 3866 is at 2.518468 4.331890 -0.975297 ESP Fit Center 3867 is at 2.118425 4.220819 -0.975297 ESP Fit Center 3868 is at 1.751611 4.026346 -0.975297 ESP Fit Center 3869 is at 4.515579 3.249354 -1.402537 ESP Fit Center 3870 is at 4.292570 3.604270 -1.402537 ESP Fit Center 3871 is at 3.996176 3.900664 -1.402537 ESP Fit Center 3872 is at 3.641260 4.123672 -1.402537 ESP Fit Center 3873 is at 3.245618 4.262113 -1.402537 ESP Fit Center 3874 is at 2.829090 4.309045 -1.402537 ESP Fit Center 3875 is at 2.412561 4.262113 -1.402537 ESP Fit Center 3876 is at 2.016919 4.123672 -1.402537 ESP Fit Center 3877 is at 1.662003 3.900664 -1.402537 ESP Fit Center 3878 is at 4.360805 3.241089 -1.808354 ESP Fit Center 3879 is at 4.123909 3.584293 -1.808354 ESP Fit Center 3880 is at 3.811762 3.860830 -1.808354 ESP Fit Center 3881 is at 3.442507 4.054631 -1.808354 ESP Fit Center 3882 is at 3.037601 4.154431 -1.808354 ESP Fit Center 3883 is at 2.620578 4.154431 -1.808354 ESP Fit Center 3884 is at 2.215673 4.054631 -1.808354 ESP Fit Center 3885 is at 1.846417 3.860830 -1.808354 ESP Fit Center 3886 is at 4.091909 3.248748 -2.172398 ESP Fit Center 3887 is at 3.812112 3.571651 -2.172398 ESP Fit Center 3888 is at 3.452676 3.802647 -2.172398 ESP Fit Center 3889 is at 3.042721 3.923020 -2.172398 ESP Fit Center 3890 is at 2.615459 3.923020 -2.172398 ESP Fit Center 3891 is at 2.205503 3.802647 -2.172398 ESP Fit Center 3892 is at 3.746122 3.206665 -2.476414 ESP Fit Center 3893 is at 3.427640 3.473903 -2.476414 ESP Fit Center 3894 is at 3.036964 3.616097 -2.476414 ESP Fit Center 3895 is at 2.621215 3.616097 -2.476414 ESP Fit Center 3896 is at 2.230540 3.473903 -2.476414 ESP Fit Center 3897 is at 3.550538 2.853712 -2.705157 ESP Fit Center 3898 is at 3.245618 3.158632 -2.705157 ESP Fit Center 3899 is at 2.829090 3.270240 -2.705157 ESP Fit Center 3900 is at 0.431766 2.571360 1.688355 ESP Fit Center 3901 is at 0.645386 2.941361 1.640216 ESP Fit Center 3902 is at 1.153214 2.987889 1.498215 ESP Fit Center 3903 is at 0.848294 3.292808 1.498215 ESP Fit Center 3904 is at 1.348798 3.340841 1.269471 ESP Fit Center 3905 is at 1.030316 3.608079 1.269471 ESP Fit Center 3906 is at 0.639640 3.750274 1.269471 ESP Fit Center 3907 is at 1.694585 3.382925 0.965455 ESP Fit Center 3908 is at 1.414788 3.705828 0.965455 ESP Fit Center 3909 is at 1.055352 3.936824 0.965455 ESP Fit Center 3910 is at 0.645397 4.057197 0.965455 ESP Fit Center 3911 is at 1.726585 3.718470 0.601412 ESP Fit Center 3912 is at 1.414438 3.995007 0.601412 ESP Fit Center 3913 is at 1.045183 4.188808 0.601412 ESP Fit Center 3914 is at 0.640277 4.288608 0.601412 ESP Fit Center 3915 is at 1.895246 3.738447 0.195595 ESP Fit Center 3916 is at 1.598852 4.034840 0.195595 ESP Fit Center 3917 is at 1.243936 4.257849 0.195595 ESP Fit Center 3918 is at 0.848294 4.396290 0.195595 ESP Fit Center 3919 is at 0.431766 4.443222 0.195595 ESP Fit Center 3920 is at 1.674747 4.034711 -0.231645 ESP Fit Center 3921 is at 1.331110 4.267703 -0.231645 ESP Fit Center 3922 is at 0.945420 4.421376 -0.231645 ESP Fit Center 3923 is at 0.535712 4.488544 -0.231645 ESP Fit Center 3924 is at 0.121144 4.466067 -0.231645 ESP Fit Center 3925 is at 1.598852 4.034840 -0.658885 ESP Fit Center 3926 is at 1.243936 4.257849 -0.658885 ESP Fit Center 3927 is at 0.848294 4.396290 -0.658885 ESP Fit Center 3928 is at 0.431766 4.443222 -0.658885 ESP Fit Center 3929 is at 0.015237 4.396290 -0.658885 ESP Fit Center 3930 is at 1.414438 3.995007 -1.064702 ESP Fit Center 3931 is at 1.045183 4.188808 -1.064702 ESP Fit Center 3932 is at 0.640277 4.288608 -1.064702 ESP Fit Center 3933 is at 0.223254 4.288608 -1.064702 ESP Fit Center 3934 is at -0.181651 4.188808 -1.064702 ESP Fit Center 3935 is at 1.055352 3.936824 -1.428746 ESP Fit Center 3936 is at 0.645397 4.057197 -1.428746 ESP Fit Center 3937 is at 0.218135 4.057197 -1.428746 ESP Fit Center 3938 is at -0.191821 3.936824 -1.428746 ESP Fit Center 3939 is at 0.639640 3.750274 -1.732762 ESP Fit Center 3940 is at 0.223891 3.750274 -1.732762 ESP Fit Center 3941 is at -0.166784 3.608079 -1.732762 ESP Fit Center 3942 is at -0.485266 3.340841 -1.732762 ESP Fit Center 3943 is at 6.114655 -2.722784 -0.515952 ESP Fit Center 3944 is at 6.194648 -2.719924 -0.932708 ESP Fit Center 3945 is at 6.114655 -2.722784 -1.349464 ESP Fit Center 3946 is at 5.722843 -2.329609 -2.475398 ESP Fit Center 3947 is at 5.308517 -2.151886 -2.771215 ESP Fit Center 3948 is at 5.704386 -2.011195 -2.771215 ESP Fit Center 3949 is at 5.203026 -1.823232 -3.011169 ESP Fit Center 3950 is at 5.594648 -1.680693 -3.011169 ESP Fit Center 3951 is at 4.513483 1.298818 2.369659 ESP Fit Center 3952 is at 4.502809 1.606471 2.073843 ESP Fit Center 3953 is at 4.110846 1.437395 2.073843 ESP Fit Center 3954 is at 4.114757 1.711253 1.731152 ESP Fit Center 3955 is at 3.902468 1.798316 1.352001 ESP Fit Center 3956 is at 3.728033 1.817747 0.947908 ESP Fit Center 3957 is at 3.896826 -1.987846 -2.842588 ESP Fit Center 3958 is at 6.079309 -0.093139 -3.269828 ESP Fit Center 3959 is at 3.790919 -1.918069 -3.269828 ESP Fit Center 3960 is at 4.207447 -1.965000 -3.269828 ESP Fit Center 3961 is at 4.623975 -1.918069 -3.269828 ESP Fit Center 3962 is at 5.019617 -1.779628 -3.269828 ESP Fit Center 3963 is at 5.374534 -1.556619 -3.269828 ESP Fit Center 3964 is at 5.670927 -1.260225 -3.269828 ESP Fit Center 3965 is at 5.893936 -0.905309 -3.269828 ESP Fit Center 3966 is at 6.032377 -0.509667 -3.269828 ESP Fit Center 3967 is at 5.937307 -0.093139 -3.675645 ESP Fit Center 3968 is at 5.887041 0.320844 -3.675645 ESP Fit Center 3969 is at 5.739162 0.710767 -3.675645 ESP Fit Center 3970 is at 2.675732 -0.897045 -3.675645 ESP Fit Center 3971 is at 2.912628 -1.240248 -3.675645 ESP Fit Center 3972 is at 3.224774 -1.516786 -3.675645 ESP Fit Center 3973 is at 3.594030 -1.710586 -3.675645 ESP Fit Center 3974 is at 3.998935 -1.810386 -3.675645 ESP Fit Center 3975 is at 4.415959 -1.810386 -3.675645 ESP Fit Center 3976 is at 4.820864 -1.710586 -3.675645 ESP Fit Center 3977 is at 5.190120 -1.516786 -3.675645 ESP Fit Center 3978 is at 5.502266 -1.240248 -3.675645 ESP Fit Center 3979 is at 5.739162 -0.897045 -3.675645 ESP Fit Center 3980 is at 5.887041 -0.507121 -3.675645 ESP Fit Center 3981 is at 5.708563 -0.093139 -4.039688 ESP Fit Center 3982 is at 5.647758 0.329775 -4.039688 ESP Fit Center 3983 is at 5.470266 0.718426 -4.039688 ESP Fit Center 3984 is at 5.190469 1.041329 -4.039688 ESP Fit Center 3985 is at 4.831033 1.272325 -4.039688 ESP Fit Center 3986 is at 4.421078 1.392698 -4.039688 ESP Fit Center 3987 is at 3.993816 1.392698 -4.039688 ESP Fit Center 3988 is at 3.583861 1.272325 -4.039688 ESP Fit Center 3989 is at 3.224425 1.041329 -4.039688 ESP Fit Center 3990 is at 2.944627 0.718426 -4.039688 ESP Fit Center 3991 is at 2.767136 0.329775 -4.039688 ESP Fit Center 3992 is at 2.706331 -0.093139 -4.039688 ESP Fit Center 3993 is at 2.767136 -0.516052 -4.039688 ESP Fit Center 3994 is at 2.944627 -0.904704 -4.039688 ESP Fit Center 3995 is at 3.224425 -1.227607 -4.039688 ESP Fit Center 3996 is at 3.583861 -1.458602 -4.039688 ESP Fit Center 3997 is at 3.993816 -1.578976 -4.039688 ESP Fit Center 3998 is at 4.421078 -1.578976 -4.039688 ESP Fit Center 3999 is at 4.831033 -1.458602 -4.039688 ESP Fit Center 4000 is at 5.190469 -1.227607 -4.039688 ESP Fit Center 4001 is at 5.470266 -0.904704 -4.039688 ESP Fit Center 4002 is at 5.647758 -0.516052 -4.039688 ESP Fit Center 4003 is at 5.404547 -0.093139 -4.343704 ESP Fit Center 4004 is at 5.332353 0.316294 -4.343704 ESP Fit Center 4005 is at 5.124479 0.676343 -4.343704 ESP Fit Center 4006 is at 4.805997 0.943581 -4.343704 ESP Fit Center 4007 is at 4.415321 1.085775 -4.343704 ESP Fit Center 4008 is at 3.999573 1.085775 -4.343704 ESP Fit Center 4009 is at 3.608897 0.943581 -4.343704 ESP Fit Center 4010 is at 3.290415 0.676343 -4.343704 ESP Fit Center 4011 is at 3.082541 0.316294 -4.343704 ESP Fit Center 4012 is at 3.010347 -0.093139 -4.343704 ESP Fit Center 4013 is at 3.082541 -0.502571 -4.343704 ESP Fit Center 4014 is at 3.290415 -0.862620 -4.343704 ESP Fit Center 4015 is at 3.608897 -1.129858 -4.343704 ESP Fit Center 4016 is at 3.999573 -1.272053 -4.343704 ESP Fit Center 4017 is at 4.415321 -1.272053 -4.343704 ESP Fit Center 4018 is at 4.805997 -1.129858 -4.343704 ESP Fit Center 4019 is at 5.124479 -0.862620 -4.343704 ESP Fit Center 4020 is at 5.332353 -0.502571 -4.343704 ESP Fit Center 4021 is at 5.040504 -0.093139 -4.572448 ESP Fit Center 4022 is at 4.928895 0.323390 -4.572448 ESP Fit Center 4023 is at 4.623975 0.628310 -4.572448 ESP Fit Center 4024 is at 4.207447 0.739918 -4.572448 ESP Fit Center 4025 is at 3.790919 0.628310 -4.572448 ESP Fit Center 4026 is at 3.485999 0.323390 -4.572448 ESP Fit Center 4027 is at 3.374390 -0.093139 -4.572448 ESP Fit Center 4028 is at 3.485999 -0.509667 -4.572448 ESP Fit Center 4029 is at 3.790919 -0.814587 -4.572448 ESP Fit Center 4030 is at 4.207447 -0.926196 -4.572448 ESP Fit Center 4031 is at 4.623975 -0.814587 -4.572448 ESP Fit Center 4032 is at 4.928895 -0.509667 -4.572448 ESP Fit Center 4033 is at 4.634687 -0.093139 -4.714450 ESP Fit Center 4034 is at 4.421067 0.276862 -4.714450 ESP Fit Center 4035 is at 3.993827 0.276862 -4.714450 ESP Fit Center 4036 is at 3.780207 -0.093139 -4.714450 ESP Fit Center 4037 is at 3.993827 -0.463140 -4.714450 ESP Fit Center 4038 is at 4.421067 -0.463140 -4.714450 ESP Fit Center 4039 is at 4.207447 -0.093139 -4.762588 ESP Fit Center 4040 is at 4.840646 2.511640 -0.310219 ESP Fit Center 4041 is at 5.615794 2.467194 -0.614235 ESP Fit Center 4042 is at 5.256358 2.698190 -0.614235 ESP Fit Center 4043 is at 4.846403 2.818563 -0.614235 ESP Fit Center 4044 is at 6.312365 1.746709 -0.978279 ESP Fit Center 4045 is at 6.164487 2.136632 -0.978279 ESP Fit Center 4046 is at 5.927591 2.479836 -0.978279 ESP Fit Center 4047 is at 5.615444 2.756373 -0.978279 ESP Fit Center 4048 is at 5.246188 2.950174 -0.978279 ESP Fit Center 4049 is at 4.841283 3.049974 -0.978279 ESP Fit Center 4050 is at 6.504633 1.332726 -1.384095 ESP Fit Center 4051 is at 6.457702 1.749255 -1.384095 ESP Fit Center 4052 is at 6.319261 2.144896 -1.384095 ESP Fit Center 4053 is at 6.096252 2.499813 -1.384095 ESP Fit Center 4054 is at 5.799858 2.796206 -1.384095 ESP Fit Center 4055 is at 5.444942 3.019215 -1.384095 ESP Fit Center 4056 is at 5.049300 3.157656 -1.384095 ESP Fit Center 4057 is at 4.632772 3.204588 -1.384095 ESP Fit Center 4058 is at 6.552772 1.332726 -1.811336 ESP Fit Center 4059 is at 6.507883 1.745469 -1.811336 ESP Fit Center 4060 is at 6.375316 2.138913 -1.811336 ESP Fit Center 4061 is at 6.161270 2.494661 -1.811336 ESP Fit Center 4062 is at 5.875753 2.796077 -1.811336 ESP Fit Center 4063 is at 5.532116 3.029069 -1.811336 ESP Fit Center 4064 is at 5.146426 3.182742 -1.811336 ESP Fit Center 4065 is at 4.736718 3.249910 -1.811336 ESP Fit Center 4066 is at 6.504633 1.332726 -2.238576 ESP Fit Center 4067 is at 6.457702 1.749255 -2.238576 ESP Fit Center 4068 is at 6.319261 2.144896 -2.238576 ESP Fit Center 4069 is at 6.096252 2.499813 -2.238576 ESP Fit Center 4070 is at 5.799858 2.796206 -2.238576 ESP Fit Center 4071 is at 5.444942 3.019215 -2.238576 ESP Fit Center 4072 is at 5.049300 3.157656 -2.238576 ESP Fit Center 4073 is at 4.632772 3.204588 -2.238576 ESP Fit Center 4074 is at 4.216243 3.157656 -2.238576 ESP Fit Center 4075 is at 6.362632 1.332726 -2.644392 ESP Fit Center 4076 is at 6.312365 1.746709 -2.644392 ESP Fit Center 4077 is at 6.164487 2.136632 -2.644392 ESP Fit Center 4078 is at 5.927591 2.479836 -2.644392 ESP Fit Center 4079 is at 5.615444 2.756373 -2.644392 ESP Fit Center 4080 is at 5.246188 2.950174 -2.644392 ESP Fit Center 4081 is at 4.841283 3.049974 -2.644392 ESP Fit Center 4082 is at 4.424260 3.049974 -2.644392 ESP Fit Center 4083 is at 4.019355 2.950174 -2.644392 ESP Fit Center 4084 is at 6.133888 1.332726 -3.008436 ESP Fit Center 4085 is at 6.073082 1.755639 -3.008436 ESP Fit Center 4086 is at 5.895591 2.144291 -3.008436 ESP Fit Center 4087 is at 5.615794 2.467194 -3.008436 ESP Fit Center 4088 is at 5.256358 2.698190 -3.008436 ESP Fit Center 4089 is at 4.846403 2.818563 -3.008436 ESP Fit Center 4090 is at 4.419140 2.818563 -3.008436 ESP Fit Center 4091 is at 4.009185 2.698190 -3.008436 ESP Fit Center 4092 is at 3.649749 2.467194 -3.008436 ESP Fit Center 4093 is at 5.829872 1.332726 -3.312452 ESP Fit Center 4094 is at 5.757678 1.742159 -3.312452 ESP Fit Center 4095 is at 5.549804 2.102207 -3.312452 ESP Fit Center 4096 is at 5.231322 2.369445 -3.312452 ESP Fit Center 4097 is at 4.840646 2.511640 -3.312452 ESP Fit Center 4098 is at 4.424897 2.511640 -3.312452 ESP Fit Center 4099 is at 4.034221 2.369445 -3.312452 ESP Fit Center 4100 is at 5.354220 1.749255 -3.541196 ESP Fit Center 4101 is at 5.049300 2.054174 -3.541196 ESP Fit Center 4102 is at 4.632772 2.165783 -3.541196 ESP Fit Center 4103 is at 4.216243 2.054174 -3.541196 ESP Fit Center 4104 is at 4.846392 1.702727 -3.683197 ESP Fit Center 4105 is at 3.419550 -2.053423 0.526894 ESP Fit Center 4106 is at 3.627424 -2.413472 0.526894 ESP Fit Center 4107 is at 3.281637 -2.455556 0.222878 ESP Fit Center 4108 is at 3.561434 -2.778459 0.222878 ESP Fit Center 4109 is at 3.920870 -3.009454 0.222878 ESP Fit Center 4110 is at 3.249637 -2.791100 -0.141166 ESP Fit Center 4111 is at 3.561784 -3.067638 -0.141166 ESP Fit Center 4112 is at 3.931040 -3.261438 -0.141166 ESP Fit Center 4113 is at 4.335945 -3.361238 -0.141166 ESP Fit Center 4114 is at 4.752968 -3.361238 -0.141166 ESP Fit Center 4115 is at 3.377370 -3.107471 -0.546983 ESP Fit Center 4116 is at 3.732286 -3.330480 -0.546983 ESP Fit Center 4117 is at 4.127928 -3.468921 -0.546983 ESP Fit Center 4118 is at 4.544456 -3.515852 -0.546983 ESP Fit Center 4119 is at 4.960985 -3.468921 -0.546983 ESP Fit Center 4120 is at 5.356627 -3.330480 -0.546983 ESP Fit Center 4121 is at 5.711543 -3.107471 -0.546983 ESP Fit Center 4122 is at 6.007937 -2.811077 -0.546983 ESP Fit Center 4123 is at 3.466977 -3.233154 -0.974223 ESP Fit Center 4124 is at 3.833791 -3.427626 -0.974223 ESP Fit Center 4125 is at 4.233835 -3.538698 -0.974223 ESP Fit Center 4126 is at 4.648403 -3.561175 -0.974223 ESP Fit Center 4127 is at 5.058111 -3.494007 -0.974223 ESP Fit Center 4128 is at 5.443801 -3.340334 -0.974223 ESP Fit Center 4129 is at 5.787438 -3.107342 -0.974223 ESP Fit Center 4130 is at 6.072955 -2.805925 -0.974223 ESP Fit Center 4131 is at 3.732286 -3.330480 -1.401463 ESP Fit Center 4132 is at 4.127928 -3.468921 -1.401463 ESP Fit Center 4133 is at 4.544456 -3.515852 -1.401463 ESP Fit Center 4134 is at 4.960985 -3.468921 -1.401463 ESP Fit Center 4135 is at 5.356627 -3.330480 -1.401463 ESP Fit Center 4136 is at 5.711543 -3.107471 -1.401463 ESP Fit Center 4137 is at 6.007937 -2.811077 -1.401463 ESP Fit Center 4138 is at 3.931040 -3.261438 -1.807280 ESP Fit Center 4139 is at 4.335945 -3.361238 -1.807280 ESP Fit Center 4140 is at 4.752968 -3.361238 -1.807280 ESP Fit Center 4141 is at 5.157873 -3.261438 -1.807280 ESP Fit Center 4142 is at 5.527129 -3.067638 -1.807280 ESP Fit Center 4143 is at 5.839275 -2.791100 -1.807280 ESP Fit Center 4144 is at 3.920870 -3.009454 -2.171323 ESP Fit Center 4145 is at 4.330825 -3.129828 -2.171323 ESP Fit Center 4146 is at 4.758088 -3.129828 -2.171323 ESP Fit Center 4147 is at 5.168043 -3.009454 -2.171323 ESP Fit Center 4148 is at 5.527479 -2.778459 -2.171323 ESP Fit Center 4149 is at 3.945906 -2.680710 -2.475339 ESP Fit Center 4150 is at 4.336582 -2.822905 -2.475339 ESP Fit Center 4151 is at 4.752331 -2.822905 -2.475339 ESP Fit Center 4152 is at 5.143007 -2.680710 -2.475339 ESP Fit Center 4153 is at 4.127928 -2.365439 -2.704083 ESP Fit Center 4154 is at 4.544456 -2.477048 -2.704083 ESP Fit Center 4155 is at 4.960985 -2.365439 -2.704083 ESP Fit Center 4156 is at 4.330836 -2.013992 -2.846084 ESP Fit Center 4157 is at 7.557730 0.112392 -0.477415 ESP Fit Center 4158 is at 7.320834 0.455595 -0.477415 ESP Fit Center 4159 is at 7.897877 -0.691514 -0.883231 ESP Fit Center 4160 is at 7.850945 -0.274986 -0.883231 ESP Fit Center 4161 is at 7.712504 0.120656 -0.883231 ESP Fit Center 4162 is at 7.489496 0.475572 -0.883231 ESP Fit Center 4163 is at 7.193102 0.771966 -0.883231 ESP Fit Center 4164 is at 6.838186 0.994975 -0.883231 ESP Fit Center 4165 is at 6.838186 -2.378003 -0.883231 ESP Fit Center 4166 is at 7.193102 -2.154995 -0.883231 ESP Fit Center 4167 is at 7.489496 -1.858601 -0.883231 ESP Fit Center 4168 is at 7.712504 -1.503685 -0.883231 ESP Fit Center 4169 is at 7.850945 -1.108043 -0.883231 ESP Fit Center 4170 is at 7.946015 -0.691514 -1.310471 ESP Fit Center 4171 is at 7.901127 -0.278771 -1.310471 ESP Fit Center 4172 is at 7.768560 0.114673 -1.310471 ESP Fit Center 4173 is at 7.554514 0.470420 -1.310471 ESP Fit Center 4174 is at 7.268997 0.771837 -1.310471 ESP Fit Center 4175 is at 6.925359 1.004829 -1.310471 ESP Fit Center 4176 is at 6.539670 1.158502 -1.310471 ESP Fit Center 4177 is at 6.539670 -2.541530 -1.310471 ESP Fit Center 4178 is at 6.925359 -2.387857 -1.310471 ESP Fit Center 4179 is at 7.268997 -2.154865 -1.310471 ESP Fit Center 4180 is at 7.554514 -1.853449 -1.310471 ESP Fit Center 4181 is at 7.768560 -1.497701 -1.310471 ESP Fit Center 4182 is at 7.901127 -1.104258 -1.310471 ESP Fit Center 4183 is at 7.897877 -0.691514 -1.737712 ESP Fit Center 4184 is at 7.850945 -0.274986 -1.737712 ESP Fit Center 4185 is at 7.712504 0.120656 -1.737712 ESP Fit Center 4186 is at 7.489496 0.475572 -1.737712 ESP Fit Center 4187 is at 7.193102 0.771966 -1.737712 ESP Fit Center 4188 is at 6.838186 0.994975 -1.737712 ESP Fit Center 4189 is at 6.442544 -2.516444 -1.737712 ESP Fit Center 4190 is at 6.838186 -2.378003 -1.737712 ESP Fit Center 4191 is at 7.193102 -2.154995 -1.737712 ESP Fit Center 4192 is at 7.489496 -1.858601 -1.737712 ESP Fit Center 4193 is at 7.712504 -1.503685 -1.737712 ESP Fit Center 4194 is at 7.850945 -1.108043 -1.737712 ESP Fit Center 4195 is at 7.755875 -0.691514 -2.143528 ESP Fit Center 4196 is at 7.705609 -0.277532 -2.143528 ESP Fit Center 4197 is at 7.557730 0.112392 -2.143528 ESP Fit Center 4198 is at 7.320834 0.455595 -2.143528 ESP Fit Center 4199 is at 7.008688 0.732133 -2.143528 ESP Fit Center 4200 is at 6.639432 0.925933 -2.143528 ESP Fit Center 4201 is at 6.234527 -2.408762 -2.143528 ESP Fit Center 4202 is at 6.639432 -2.308962 -2.143528 ESP Fit Center 4203 is at 7.008688 -2.115161 -2.143528 ESP Fit Center 4204 is at 7.320834 -1.838624 -2.143528 ESP Fit Center 4205 is at 7.557730 -1.495420 -2.143528 ESP Fit Center 4206 is at 7.705609 -1.105497 -2.143528 ESP Fit Center 4207 is at 7.527132 -0.691514 -2.507572 ESP Fit Center 4208 is at 7.466326 -0.268601 -2.507572 ESP Fit Center 4209 is at 7.288835 0.120051 -2.507572 ESP Fit Center 4210 is at 7.009037 0.442954 -2.507572 ESP Fit Center 4211 is at 6.649602 0.673949 -2.507572 ESP Fit Center 4212 is at 6.239646 -2.177352 -2.507572 ESP Fit Center 4213 is at 6.649602 -2.056978 -2.507572 ESP Fit Center 4214 is at 7.009037 -1.825982 -2.507572 ESP Fit Center 4215 is at 7.288835 -1.503079 -2.507572 ESP Fit Center 4216 is at 7.466326 -1.114428 -2.507572 ESP Fit Center 4217 is at 7.223116 -0.691514 -2.811588 ESP Fit Center 4218 is at 7.150922 -0.282082 -2.811588 ESP Fit Center 4219 is at 6.943047 0.077967 -2.811588 ESP Fit Center 4220 is at 6.624565 0.345205 -2.811588 ESP Fit Center 4221 is at 6.233890 -1.870428 -2.811588 ESP Fit Center 4222 is at 6.624565 -1.728234 -2.811588 ESP Fit Center 4223 is at 6.943047 -1.460996 -2.811588 ESP Fit Center 4224 is at 7.150922 -1.100947 -2.811588 ESP Fit Center 4225 is at 6.859072 -0.691514 -3.040332 ESP Fit Center 4226 is at 6.747464 -0.274986 -3.040332 ESP Fit Center 4227 is at 6.442544 0.029934 -3.040332 ESP Fit Center 4228 is at 6.026015 -1.524571 -3.040332 ESP Fit Center 4229 is at 6.442544 -1.412963 -3.040332 ESP Fit Center 4230 is at 6.747464 -1.108043 -3.040332 ESP Fit Center 4231 is at 6.453255 -0.691514 -3.182333 ESP Fit Center 4232 is at 6.239635 -0.321513 -3.182333 ESP Fit Center 4233 is at 6.239635 -1.061515 -3.182333 ESP Fit Center 4234 is at 6.026015 -0.691514 -3.230471 ESP Fit Center 4235 is at 6.581961 -3.088863 2.566549 ESP Fit Center 4236 is at 3.696192 -1.775162 2.187397 ESP Fit Center 4237 is at 6.796970 -3.191240 2.187397 ESP Fit Center 4238 is at 7.168281 -2.976864 2.187397 ESP Fit Center 4239 is at 7.492310 -2.696091 2.187397 ESP Fit Center 4240 is at 6.980107 -3.221103 1.783304 ESP Fit Center 4241 is at 7.333742 -2.987670 1.783304 ESP Fit Center 4242 is at 7.060100 -3.218242 1.366549 ESP Fit Center 4243 is at 6.980107 -3.221103 0.949793 ESP Fit Center 4244 is at 6.588296 -2.827928 -0.176142 ESP Fit Center 4245 is at 6.569838 -2.509513 -0.471958 ESP Fit Center 4246 is at 3.288555 0.311123 2.665053 ESP Fit Center 4247 is at 4.217878 1.073509 2.436310 ESP Fit Center 4248 is at 3.802129 1.073509 2.436310 ESP Fit Center 4249 is at 3.411453 0.931314 2.436310 ESP Fit Center 4250 is at 3.092972 0.664076 2.436310 ESP Fit Center 4251 is at 2.885097 0.304027 2.436310 ESP Fit Center 4252 is at 2.812903 -0.105405 2.436310 ESP Fit Center 4253 is at 2.885097 -0.514838 2.436310 ESP Fit Center 4254 is at 3.092972 -0.874886 2.436310 ESP Fit Center 4255 is at 3.796373 1.380432 2.132294 ESP Fit Center 4256 is at 3.386417 1.260059 2.132294 ESP Fit Center 4257 is at 3.026981 1.029063 2.132294 ESP Fit Center 4258 is at 2.747184 0.706160 2.132294 ESP Fit Center 4259 is at 2.569693 0.317508 2.132294 ESP Fit Center 4260 is at 2.508887 -0.105405 2.132294 ESP Fit Center 4261 is at 2.569693 -0.528318 2.132294 ESP Fit Center 4262 is at 2.747184 -0.916970 2.132294 ESP Fit Center 4263 is at 3.026981 -1.239873 2.132294 ESP Fit Center 4264 is at 3.386417 -1.470869 2.132294 ESP Fit Center 4265 is at 3.801492 1.611843 1.768250 ESP Fit Center 4266 is at 3.396587 1.512042 1.768250 ESP Fit Center 4267 is at 3.027331 1.318242 1.768250 ESP Fit Center 4268 is at 2.715185 1.041704 1.768250 ESP Fit Center 4269 is at 2.478289 0.698501 1.768250 ESP Fit Center 4270 is at 2.330410 0.308578 1.768250 ESP Fit Center 4271 is at 2.280143 -0.105405 1.768250 ESP Fit Center 4272 is at 2.330410 -0.519388 1.768250 ESP Fit Center 4273 is at 2.478289 -0.909311 1.768250 ESP Fit Center 4274 is at 2.715185 -1.252515 1.768250 ESP Fit Center 4275 is at 3.027331 -1.529052 1.768250 ESP Fit Center 4276 is at 3.396587 -1.722852 1.768250 ESP Fit Center 4277 is at 3.593475 1.719525 1.362433 ESP Fit Center 4278 is at 3.197833 1.581084 1.362433 ESP Fit Center 4279 is at 2.842917 1.358075 1.362433 ESP Fit Center 4280 is at 2.546523 1.061682 1.362433 ESP Fit Center 4281 is at 2.323515 0.706765 1.362433 ESP Fit Center 4282 is at 2.185074 0.311123 1.362433 ESP Fit Center 4283 is at 2.138142 -0.105405 1.362433 ESP Fit Center 4284 is at 2.185074 -0.521933 1.362433 ESP Fit Center 4285 is at 2.323515 -0.917575 1.362433 ESP Fit Center 4286 is at 2.546523 -1.272492 1.362433 ESP Fit Center 4287 is at 2.842917 -1.568885 1.362433 ESP Fit Center 4288 is at 3.197833 -1.791894 1.362433 ESP Fit Center 4289 is at 2.101259 0.102183 0.935193 ESP Fit Center 4290 is at 2.616092 -1.425788 0.935193 ESP Fit Center 4291 is at 2.932525 -1.694568 0.935193 ESP Fit Center 4292 is at 3.299338 -1.889040 0.935193 ESP Fit Center 4293 is at 3.197833 -1.791894 0.507953 ESP Fit Center 4294 is at 5.699060 2.020726 2.077562 ESP Fit Center 4295 is at 5.283311 2.020726 2.077562 ESP Fit Center 4296 is at 4.892636 1.878532 2.077562 ESP Fit Center 4297 is at 6.474208 1.976280 1.773546 ESP Fit Center 4298 is at 6.114772 2.207276 1.773546 ESP Fit Center 4299 is at 5.704817 2.327650 1.773546 ESP Fit Center 4300 is at 5.277555 2.327650 1.773546 ESP Fit Center 4301 is at 4.867599 2.207276 1.773546 ESP Fit Center 4302 is at 4.508164 1.976280 1.773546 ESP Fit Center 4303 is at 7.022901 1.645718 1.409502 ESP Fit Center 4304 is at 6.786005 1.988922 1.409502 ESP Fit Center 4305 is at 6.473858 2.265459 1.409502 ESP Fit Center 4306 is at 6.104603 2.459260 1.409502 ESP Fit Center 4307 is at 5.699697 2.559060 1.409502 ESP Fit Center 4308 is at 5.282674 2.559060 1.409502 ESP Fit Center 4309 is at 4.877769 2.459260 1.409502 ESP Fit Center 4310 is at 4.508513 2.265459 1.409502 ESP Fit Center 4311 is at 4.196367 1.988922 1.409502 ESP Fit Center 4312 is at 7.363047 0.841812 1.003686 ESP Fit Center 4313 is at 7.316116 1.258341 1.003686 ESP Fit Center 4314 is at 7.177675 1.653983 1.003686 ESP Fit Center 4315 is at 6.954666 2.008899 1.003686 ESP Fit Center 4316 is at 6.658272 2.305293 1.003686 ESP Fit Center 4317 is at 6.303356 2.528301 1.003686 ESP Fit Center 4318 is at 5.907714 2.666742 1.003686 ESP Fit Center 4319 is at 5.491186 2.713674 1.003686 ESP Fit Center 4320 is at 5.074657 2.666742 1.003686 ESP Fit Center 4321 is at 4.679015 2.528301 1.003686 ESP Fit Center 4322 is at 4.324099 2.305293 1.003686 ESP Fit Center 4323 is at 4.027705 2.008899 1.003686 ESP Fit Center 4324 is at 7.411186 0.841812 0.576446 ESP Fit Center 4325 is at 7.366297 1.254556 0.576446 ESP Fit Center 4326 is at 7.233731 1.647999 0.576446 ESP Fit Center 4327 is at 7.019684 2.003747 0.576446 ESP Fit Center 4328 is at 6.734167 2.305163 0.576446 ESP Fit Center 4329 is at 6.390530 2.538155 0.576446 ESP Fit Center 4330 is at 6.004840 2.691828 0.576446 ESP Fit Center 4331 is at 5.595132 2.758997 0.576446 ESP Fit Center 4332 is at 5.180564 2.736519 0.576446 ESP Fit Center 4333 is at 4.780521 2.625448 0.576446 ESP Fit Center 4334 is at 4.413707 2.430975 0.576446 ESP Fit Center 4335 is at 4.097274 2.162195 0.576446 ESP Fit Center 4336 is at 7.363047 0.841812 0.149205 ESP Fit Center 4337 is at 7.316116 1.258341 0.149205 ESP Fit Center 4338 is at 7.177675 1.653983 0.149205 ESP Fit Center 4339 is at 6.954666 2.008899 0.149205 ESP Fit Center 4340 is at 6.658272 2.305293 0.149205 ESP Fit Center 4341 is at 6.303356 2.528301 0.149205 ESP Fit Center 4342 is at 5.907714 2.666742 0.149205 ESP Fit Center 4343 is at 5.491186 2.713674 0.149205 ESP Fit Center 4344 is at 5.074657 2.666742 0.149205 ESP Fit Center 4345 is at 4.679015 2.528301 0.149205 ESP Fit Center 4346 is at 7.221046 0.841812 -0.256611 ESP Fit Center 4347 is at 7.170779 1.255795 -0.256611 ESP Fit Center 4348 is at 7.022901 1.645718 -0.256611 ESP Fit Center 4349 is at 6.786005 1.988922 -0.256611 ESP Fit Center 4350 is at 6.473858 2.265459 -0.256611 ESP Fit Center 4351 is at 6.104603 2.459260 -0.256611 ESP Fit Center 4352 is at 5.699697 2.559060 -0.256611 ESP Fit Center 4353 is at 5.282674 2.559060 -0.256611 ESP Fit Center 4354 is at 4.877769 2.459260 -0.256611 ESP Fit Center 4355 is at 6.992302 0.841812 -0.620655 ESP Fit Center 4356 is at 6.931496 1.264726 -0.620655 ESP Fit Center 4357 is at 6.754005 1.653377 -0.620655 ESP Fit Center 4358 is at 6.474208 1.976280 -0.620655 ESP Fit Center 4359 is at 6.114772 2.207276 -0.620655 ESP Fit Center 4360 is at 6.616092 1.251245 -0.924671 ESP Fit Center 4361 is at 6.408218 1.611294 -0.924671 ESP Fit Center 4362 is at 8.384588 -1.187885 2.163296 ESP Fit Center 4363 is at 8.323782 -0.764972 2.163296 ESP Fit Center 4364 is at 7.866494 -2.322353 2.163296 ESP Fit Center 4365 is at 8.146291 -1.999450 2.163296 ESP Fit Center 4366 is at 8.323782 -1.610799 2.163296 ESP Fit Center 4367 is at 8.613332 -1.187885 1.799253 ESP Fit Center 4368 is at 8.563065 -0.773903 1.799253 ESP Fit Center 4369 is at 8.415187 -0.383979 1.799253 ESP Fit Center 4370 is at 8.178291 -0.040776 1.799253 ESP Fit Center 4371 is at 7.866144 -2.611532 1.799253 ESP Fit Center 4372 is at 8.178291 -2.334995 1.799253 ESP Fit Center 4373 is at 8.415187 -1.991791 1.799253 ESP Fit Center 4374 is at 8.563065 -1.601868 1.799253 ESP Fit Center 4375 is at 8.755333 -1.187885 1.393436 ESP Fit Center 4376 is at 8.708402 -0.771357 1.393436 ESP Fit Center 4377 is at 8.569961 -0.375715 1.393436 ESP Fit Center 4378 is at 8.346952 -0.020799 1.393436 ESP Fit Center 4379 is at 8.050558 0.275595 1.393436 ESP Fit Center 4380 is at 7.695642 0.498604 1.393436 ESP Fit Center 4381 is at 7.695642 -2.874374 1.393436 ESP Fit Center 4382 is at 8.050558 -2.651365 1.393436 ESP Fit Center 4383 is at 8.346952 -2.354972 1.393436 ESP Fit Center 4384 is at 8.569961 -2.000055 1.393436 ESP Fit Center 4385 is at 8.708402 -1.604414 1.393436 ESP Fit Center 4386 is at 8.803472 -1.187885 0.966196 ESP Fit Center 4387 is at 8.758583 -0.775142 0.966196 ESP Fit Center 4388 is at 8.626016 -0.381698 0.966196 ESP Fit Center 4389 is at 8.411970 -0.025951 0.966196 ESP Fit Center 4390 is at 8.126453 0.275466 0.966196 ESP Fit Center 4391 is at 7.782816 0.508458 0.966196 ESP Fit Center 4392 is at 7.397126 0.662131 0.966196 ESP Fit Center 4393 is at 7.397126 -3.037901 0.966196 ESP Fit Center 4394 is at 7.782816 -2.884228 0.966196 ESP Fit Center 4395 is at 8.126453 -2.651236 0.966196 ESP Fit Center 4396 is at 8.411970 -2.349820 0.966196 ESP Fit Center 4397 is at 8.626016 -1.994072 0.966196 ESP Fit Center 4398 is at 8.758583 -1.600628 0.966196 ESP Fit Center 4399 is at 8.755333 -1.187885 0.538956 ESP Fit Center 4400 is at 8.708402 -0.771357 0.538956 ESP Fit Center 4401 is at 8.569961 -0.375715 0.538956 ESP Fit Center 4402 is at 8.346952 -0.020799 0.538956 ESP Fit Center 4403 is at 8.050558 0.275595 0.538956 ESP Fit Center 4404 is at 7.695642 0.498604 0.538956 ESP Fit Center 4405 is at 7.300000 -3.012815 0.538956 ESP Fit Center 4406 is at 7.695642 -2.874374 0.538956 ESP Fit Center 4407 is at 8.050558 -2.651365 0.538956 ESP Fit Center 4408 is at 8.346952 -2.354972 0.538956 ESP Fit Center 4409 is at 8.569961 -2.000055 0.538956 ESP Fit Center 4410 is at 8.708402 -1.604414 0.538956 ESP Fit Center 4411 is at 8.613332 -1.187885 0.133139 ESP Fit Center 4412 is at 8.563065 -0.773903 0.133139 ESP Fit Center 4413 is at 8.415187 -0.383979 0.133139 ESP Fit Center 4414 is at 8.178291 -0.040776 0.133139 ESP Fit Center 4415 is at 7.866144 0.235762 0.133139 ESP Fit Center 4416 is at 7.496888 0.429562 0.133139 ESP Fit Center 4417 is at 7.091983 -2.905133 0.133139 ESP Fit Center 4418 is at 7.496888 -2.805333 0.133139 ESP Fit Center 4419 is at 7.866144 -2.611532 0.133139 ESP Fit Center 4420 is at 8.178291 -2.334995 0.133139 ESP Fit Center 4421 is at 8.415187 -1.991791 0.133139 ESP Fit Center 4422 is at 8.563065 -1.601868 0.133139 ESP Fit Center 4423 is at 8.384588 -1.187885 -0.230904 ESP Fit Center 4424 is at 8.323782 -0.764972 -0.230904 ESP Fit Center 4425 is at 8.146291 -0.376320 -0.230904 ESP Fit Center 4426 is at 7.866494 -0.053417 -0.230904 ESP Fit Center 4427 is at 7.507058 0.177578 -0.230904 ESP Fit Center 4428 is at 7.097103 -2.673722 -0.230904 ESP Fit Center 4429 is at 7.507058 -2.553349 -0.230904 ESP Fit Center 4430 is at 7.866494 -2.322353 -0.230904 ESP Fit Center 4431 is at 8.146291 -1.999450 -0.230904 ESP Fit Center 4432 is at 8.323782 -1.610799 -0.230904 ESP Fit Center 4433 is at 8.080572 -1.187885 -0.534920 ESP Fit Center 4434 is at 8.008378 -0.778453 -0.534920 ESP Fit Center 4435 is at 7.800504 -0.418404 -0.534920 ESP Fit Center 4436 is at 6.675597 -2.366799 -0.534920 ESP Fit Center 4437 is at 7.091346 -2.366799 -0.534920 ESP Fit Center 4438 is at 7.482022 -2.224605 -0.534920 ESP Fit Center 4439 is at 7.800504 -1.957366 -0.534920 ESP Fit Center 4440 is at 8.008378 -1.597318 -0.534920 ESP Fit Center 4441 is at 4.275351 -2.546740 2.821587 ESP Fit Center 4442 is at 4.483225 -2.906789 2.821587 ESP Fit Center 4443 is at 4.801707 -3.174027 2.821587 ESP Fit Center 4444 is at 5.192383 -3.316221 2.821587 ESP Fit Center 4445 is at 5.608131 -3.316221 2.821587 ESP Fit Center 4446 is at 5.998807 -3.174027 2.821587 ESP Fit Center 4447 is at 3.899141 -2.137307 2.517571 ESP Fit Center 4448 is at 3.959946 -2.560221 2.517571 ESP Fit Center 4449 is at 4.137438 -2.948872 2.517571 ESP Fit Center 4450 is at 4.417235 -3.271775 2.517571 ESP Fit Center 4451 is at 4.776671 -3.502771 2.517571 ESP Fit Center 4452 is at 5.186626 -3.623145 2.517571 ESP Fit Center 4453 is at 5.613888 -3.623145 2.517571 ESP Fit Center 4454 is at 6.023843 -3.502771 2.517571 ESP Fit Center 4455 is at 6.383279 -3.271775 2.517571 ESP Fit Center 4456 is at 3.670397 -2.137307 2.153527 ESP Fit Center 4457 is at 3.720663 -2.551290 2.153527 ESP Fit Center 4458 is at 3.868542 -2.941213 2.153527 ESP Fit Center 4459 is at 4.105438 -3.284417 2.153527 ESP Fit Center 4460 is at 4.417584 -3.560954 2.153527 ESP Fit Center 4461 is at 4.786840 -3.754755 2.153527 ESP Fit Center 4462 is at 5.191745 -3.854555 2.153527 ESP Fit Center 4463 is at 5.608769 -3.854555 2.153527 ESP Fit Center 4464 is at 6.013674 -3.754755 2.153527 ESP Fit Center 4465 is at 6.382930 -3.560954 2.153527 ESP Fit Center 4466 is at 6.695076 -3.284417 2.153527 ESP Fit Center 4467 is at 3.528395 -2.137307 1.747711 ESP Fit Center 4468 is at 3.575327 -2.553836 1.747711 ESP Fit Center 4469 is at 3.713768 -2.949478 1.747711 ESP Fit Center 4470 is at 3.936777 -3.304394 1.747711 ESP Fit Center 4471 is at 4.233170 -3.600788 1.747711 ESP Fit Center 4472 is at 4.588087 -3.823796 1.747711 ESP Fit Center 4473 is at 4.983729 -3.962237 1.747711 ESP Fit Center 4474 is at 5.400257 -4.009169 1.747711 ESP Fit Center 4475 is at 5.816785 -3.962237 1.747711 ESP Fit Center 4476 is at 6.212427 -3.823796 1.747711 ESP Fit Center 4477 is at 6.567344 -3.600788 1.747711 ESP Fit Center 4478 is at 6.863737 -3.304394 1.747711 ESP Fit Center 4479 is at 3.491512 -1.929719 1.320470 ESP Fit Center 4480 is at 3.491512 -2.344896 1.320470 ESP Fit Center 4481 is at 3.580763 -2.750366 1.320470 ESP Fit Center 4482 is at 3.755091 -3.127171 1.320470 ESP Fit Center 4483 is at 4.006346 -3.457690 1.320470 ESP Fit Center 4484 is at 4.322778 -3.726470 1.320470 ESP Fit Center 4485 is at 4.689592 -3.920943 1.320470 ESP Fit Center 4486 is at 5.089636 -4.032014 1.320470 ESP Fit Center 4487 is at 5.504204 -4.054491 1.320470 ESP Fit Center 4488 is at 5.913911 -3.987323 1.320470 ESP Fit Center 4489 is at 6.299601 -3.833650 1.320470 ESP Fit Center 4490 is at 6.643239 -3.600658 1.320470 ESP Fit Center 4491 is at 6.928756 -3.299242 1.320470 ESP Fit Center 4492 is at 3.528395 -2.137307 0.893230 ESP Fit Center 4493 is at 3.575327 -2.553836 0.893230 ESP Fit Center 4494 is at 3.713768 -2.949478 0.893230 ESP Fit Center 4495 is at 3.936777 -3.304394 0.893230 ESP Fit Center 4496 is at 4.233170 -3.600788 0.893230 ESP Fit Center 4497 is at 4.588087 -3.823796 0.893230 ESP Fit Center 4498 is at 4.983729 -3.962237 0.893230 ESP Fit Center 4499 is at 5.400257 -4.009169 0.893230 ESP Fit Center 4500 is at 5.816785 -3.962237 0.893230 ESP Fit Center 4501 is at 6.212427 -3.823796 0.893230 ESP Fit Center 4502 is at 6.567344 -3.600788 0.893230 ESP Fit Center 4503 is at 6.863737 -3.304394 0.893230 ESP Fit Center 4504 is at 3.868542 -2.941213 0.487414 ESP Fit Center 4505 is at 4.105438 -3.284417 0.487414 ESP Fit Center 4506 is at 4.417584 -3.560954 0.487414 ESP Fit Center 4507 is at 4.786840 -3.754755 0.487414 ESP Fit Center 4508 is at 5.191745 -3.854555 0.487414 ESP Fit Center 4509 is at 5.608769 -3.854555 0.487414 ESP Fit Center 4510 is at 6.013674 -3.754755 0.487414 ESP Fit Center 4511 is at 6.382930 -3.560954 0.487414 ESP Fit Center 4512 is at 6.695076 -3.284417 0.487414 ESP Fit Center 4513 is at 4.417235 -3.271775 0.123370 ESP Fit Center 4514 is at 4.776671 -3.502771 0.123370 ESP Fit Center 4515 is at 5.186626 -3.623145 0.123370 ESP Fit Center 4516 is at 5.613888 -3.623145 0.123370 ESP Fit Center 4517 is at 6.023843 -3.502771 0.123370 ESP Fit Center 4518 is at 6.383279 -3.271775 0.123370 ESP Fit Center 4519 is at 5.192383 -3.316221 -0.180646 ESP Fit Center 4520 is at 5.608131 -3.316221 -0.180646 ESP Fit Center 4521 is at 5.998807 -3.174027 -0.180646 ESP Fit Center 4522 is at 5.901712 -0.658332 5.224591 ESP Fit Center 4523 is at 6.110090 -0.297411 5.188130 ESP Fit Center 4524 is at 5.693334 -0.297411 5.188130 ESP Fit Center 4525 is at 5.484957 -0.658332 5.188130 ESP Fit Center 4526 is at 5.693334 -1.019253 5.188130 ESP Fit Center 4527 is at 6.612588 -0.247908 5.079853 ESP Fit Center 4528 is at 6.312136 0.052543 5.079853 ESP Fit Center 4529 is at 5.901712 0.162516 5.079853 ESP Fit Center 4530 is at 5.491288 0.052543 5.079853 ESP Fit Center 4531 is at 5.190837 -1.068756 5.079853 ESP Fit Center 4532 is at 5.491288 -1.369208 5.079853 ESP Fit Center 4533 is at 7.029343 -0.247908 4.903052 ESP Fit Center 4534 is at 6.820966 0.113013 4.903052 ESP Fit Center 4535 is at 6.501712 0.380898 4.903052 ESP Fit Center 4536 is at 6.110090 0.523437 4.903052 ESP Fit Center 4537 is at 5.693334 0.523437 4.903052 ESP Fit Center 4538 is at 5.301712 0.380898 4.903052 ESP Fit Center 4539 is at 5.301712 -1.697563 4.903052 ESP Fit Center 4540 is at 7.219817 0.143225 4.663098 ESP Fit Center 4541 is at 5.796435 0.880762 4.663098 ESP Fit Center 4542 is at 5.385097 0.795285 4.663098 ESP Fit Center 4543 is at 5.012073 -1.918664 4.663098 ESP Fit Center 4544 is at 5.374423 1.102938 4.367281 ESP Fit Center 4545 is at 4.982459 0.933861 4.367281 ESP Fit Center 4546 is at 4.982459 -2.250526 4.367281 ESP Fit Center 4547 is at 7.937627 -0.239941 4.024591 ESP Fit Center 4548 is at 4.986370 1.207720 4.024591 ESP Fit Center 4549 is at 4.986370 -2.524384 4.024591 ESP Fit Center 4550 is at 8.116219 -0.231521 3.645439 ESP Fit Center 4551 is at 4.774081 1.294782 3.645439 ESP Fit Center 4552 is at 4.774081 -2.611446 3.645439 ESP Fit Center 4553 is at 5.164088 -2.789557 3.645439 ESP Fit Center 4554 is at 8.227268 -0.236306 3.241347 ESP Fit Center 4555 is at 4.599646 1.314214 3.241347 ESP Fit Center 4556 is at 4.599646 -2.630878 3.241347 ESP Fit Center 4557 is at 4.972782 -2.831671 3.241347 ESP Fit Center 4558 is at 5.375775 -2.962612 3.241347 ESP Fit Center 4559 is at 8.301712 -0.658332 2.824591 ESP Fit Center 4560 is at 8.265251 -0.241576 2.824591 ESP Fit Center 4561 is at 4.701712 1.420129 2.824591 ESP Fit Center 4562 is at 8.265251 -0.658332 2.407835 ESP Fit Center 4563 is at 8.227268 -0.236306 2.407835 ESP Fit Center 4564 is at 4.599646 1.314214 2.407835 ESP Fit Center 4565 is at 8.227268 -1.080358 2.407835 ESP Fit Center 4566 is at 4.878956 -0.609028 5.144519 ESP Fit Center 4567 is at 5.092577 -0.239027 5.096381 ESP Fit Center 4568 is at 4.665336 -0.239027 5.096381 ESP Fit Center 4569 is at 4.451716 -0.609028 5.096381 ESP Fit Center 4570 is at 4.665336 -0.979029 5.096381 ESP Fit Center 4571 is at 5.092577 -0.979029 5.096381 ESP Fit Center 4572 is at 4.878956 0.224029 4.954380 ESP Fit Center 4573 is at 4.462428 0.112421 4.954380 ESP Fit Center 4574 is at 4.157508 -0.192499 4.954380 ESP Fit Center 4575 is at 4.045900 -0.609028 4.954380 ESP Fit Center 4576 is at 4.157508 -1.025556 4.954380 ESP Fit Center 4577 is at 4.462428 -1.330476 4.954380 ESP Fit Center 4578 is at 4.878956 -1.442085 4.954380 ESP Fit Center 4579 is at 5.086831 0.569886 4.725636 ESP Fit Center 4580 is at 4.671082 0.569886 4.725636 ESP Fit Center 4581 is at 4.280406 0.427692 4.725636 ESP Fit Center 4582 is at 3.961924 0.160454 4.725636 ESP Fit Center 4583 is at 3.754050 -0.199595 4.725636 ESP Fit Center 4584 is at 3.681856 -0.609028 4.725636 ESP Fit Center 4585 is at 3.754050 -1.018460 4.725636 ESP Fit Center 4586 is at 3.961924 -1.378509 4.725636 ESP Fit Center 4587 is at 4.280406 -1.645747 4.725636 ESP Fit Center 4588 is at 4.671082 -1.787942 4.725636 ESP Fit Center 4589 is at 4.665325 0.876810 4.421620 ESP Fit Center 4590 is at 4.255370 0.756436 4.421620 ESP Fit Center 4591 is at 3.895934 0.525440 4.421620 ESP Fit Center 4592 is at 3.616137 0.202537 4.421620 ESP Fit Center 4593 is at 3.438646 -0.186114 4.421620 ESP Fit Center 4594 is at 3.377840 -0.609028 4.421620 ESP Fit Center 4595 is at 3.438646 -1.031941 4.421620 ESP Fit Center 4596 is at 3.616137 -1.420593 4.421620 ESP Fit Center 4597 is at 3.895934 -1.743496 4.421620 ESP Fit Center 4598 is at 4.255370 -1.974491 4.421620 ESP Fit Center 4599 is at 4.665325 -2.094865 4.421620 ESP Fit Center 4600 is at 4.670445 1.108220 4.057576 ESP Fit Center 4601 is at 4.265540 1.008420 4.057576 ESP Fit Center 4602 is at 3.896284 0.814619 4.057576 ESP Fit Center 4603 is at 3.584137 0.538082 4.057576 ESP Fit Center 4604 is at 3.347241 0.194878 4.057576 ESP Fit Center 4605 is at 3.199363 -0.195045 4.057576 ESP Fit Center 4606 is at 3.149096 -0.609028 4.057576 ESP Fit Center 4607 is at 3.199363 -1.023010 4.057576 ESP Fit Center 4608 is at 3.347241 -1.412934 4.057576 ESP Fit Center 4609 is at 3.584137 -1.756137 4.057576 ESP Fit Center 4610 is at 3.896284 -2.032675 4.057576 ESP Fit Center 4611 is at 4.265540 -2.226475 4.057576 ESP Fit Center 4612 is at 4.670445 -2.326275 4.057576 ESP Fit Center 4613 is at 4.462428 1.215902 3.651760 ESP Fit Center 4614 is at 4.066786 1.077461 3.651760 ESP Fit Center 4615 is at 3.711870 0.854453 3.651760 ESP Fit Center 4616 is at 3.415476 0.558059 3.651760 ESP Fit Center 4617 is at 3.192467 0.203143 3.651760 ESP Fit Center 4618 is at 3.054026 -0.192499 3.651760 ESP Fit Center 4619 is at 3.007095 -0.609028 3.651760 ESP Fit Center 4620 is at 3.054026 -1.025556 3.651760 ESP Fit Center 4621 is at 3.192467 -1.421198 3.651760 ESP Fit Center 4622 is at 3.415476 -1.776114 3.651760 ESP Fit Center 4623 is at 3.711870 -2.072508 3.651760 ESP Fit Center 4624 is at 4.066786 -2.295517 3.651760 ESP Fit Center 4625 is at 4.462428 -2.433958 3.651760 ESP Fit Center 4626 is at 4.168291 1.174608 3.224519 ESP Fit Center 4627 is at 3.801477 0.980135 3.224519 ESP Fit Center 4628 is at 3.485045 0.711355 3.224519 ESP Fit Center 4629 is at 3.233791 0.380836 3.224519 ESP Fit Center 4630 is at 3.059462 0.004031 3.224519 ESP Fit Center 4631 is at 2.970212 -0.401439 3.224519 ESP Fit Center 4632 is at 2.970212 -0.816616 3.224519 ESP Fit Center 4633 is at 3.059462 -1.222087 3.224519 ESP Fit Center 4634 is at 3.233791 -1.598891 3.224519 ESP Fit Center 4635 is at 3.485045 -1.929411 3.224519 ESP Fit Center 4636 is at 3.801477 -2.198191 3.224519 ESP Fit Center 4637 is at 4.168291 -2.392663 3.224519 ESP Fit Center 4638 is at 4.066786 1.077461 2.797279 ESP Fit Center 4639 is at 3.711870 0.854453 2.797279 ESP Fit Center 4640 is at 3.415476 0.558059 2.797279 ESP Fit Center 4641 is at 3.192467 0.203143 2.797279 ESP Fit Center 4642 is at 3.054026 -0.192499 2.797279 ESP Fit Center 4643 is at 3.007095 -0.609028 2.797279 ESP Fit Center 4644 is at 3.054026 -1.025556 2.797279 ESP Fit Center 4645 is at 3.192467 -1.421198 2.797279 ESP Fit Center 4646 is at 3.415476 -1.776114 2.797279 ESP Fit Center 4647 is at 3.711870 -2.072508 2.797279 ESP Fit Center 4648 is at 4.066786 -2.295517 2.797279 ESP Fit Center 4649 is at 3.347241 -1.412934 2.391463 ESP Fit Center 4650 is at 3.584137 -1.756137 2.391463 ESP Fit Center 4651 is at 6.574432 0.710031 4.739103 ESP Fit Center 4652 is at 7.193869 0.340030 4.597102 ESP Fit Center 4653 is at 7.082260 0.756558 4.597102 ESP Fit Center 4654 is at 6.777340 1.061478 4.597102 ESP Fit Center 4655 is at 6.360812 1.173087 4.597102 ESP Fit Center 4656 is at 5.944283 1.061478 4.597102 ESP Fit Center 4657 is at 7.557912 0.340030 4.368358 ESP Fit Center 4658 is at 7.485718 0.749462 4.368358 ESP Fit Center 4659 is at 7.277844 1.109511 4.368358 ESP Fit Center 4660 is at 6.959362 1.376749 4.368358 ESP Fit Center 4661 is at 6.568686 1.518944 4.368358 ESP Fit Center 4662 is at 6.152937 1.518944 4.368358 ESP Fit Center 4663 is at 5.762262 1.376749 4.368358 ESP Fit Center 4664 is at 7.861928 0.340030 4.064342 ESP Fit Center 4665 is at 7.801122 0.762943 4.064342 ESP Fit Center 4666 is at 7.623631 1.151595 4.064342 ESP Fit Center 4667 is at 7.343834 1.474498 4.064342 ESP Fit Center 4668 is at 6.984398 1.705493 4.064342 ESP Fit Center 4669 is at 6.574443 1.825867 4.064342 ESP Fit Center 4670 is at 6.147181 1.825867 4.064342 ESP Fit Center 4671 is at 5.737225 1.705493 4.064342 ESP Fit Center 4672 is at 5.377790 1.474498 4.064342 ESP Fit Center 4673 is at 8.090672 0.340030 3.700298 ESP Fit Center 4674 is at 8.040405 0.754013 3.700298 ESP Fit Center 4675 is at 7.892527 1.143936 3.700298 ESP Fit Center 4676 is at 7.655631 1.487139 3.700298 ESP Fit Center 4677 is at 7.343484 1.763677 3.700298 ESP Fit Center 4678 is at 6.974229 1.957477 3.700298 ESP Fit Center 4679 is at 6.569323 2.057278 3.700298 ESP Fit Center 4680 is at 6.152300 2.057278 3.700298 ESP Fit Center 4681 is at 5.747395 1.957477 3.700298 ESP Fit Center 4682 is at 5.378139 1.763677 3.700298 ESP Fit Center 4683 is at 5.065993 1.487139 3.700298 ESP Fit Center 4684 is at 8.232673 0.340030 3.294482 ESP Fit Center 4685 is at 8.185742 0.756558 3.294482 ESP Fit Center 4686 is at 8.047301 1.152200 3.294482 ESP Fit Center 4687 is at 7.824292 1.507117 3.294482 ESP Fit Center 4688 is at 7.527898 1.803510 3.294482 ESP Fit Center 4689 is at 7.172982 2.026519 3.294482 ESP Fit Center 4690 is at 6.777340 2.164960 3.294482 ESP Fit Center 4691 is at 6.360812 2.211892 3.294482 ESP Fit Center 4692 is at 5.944283 2.164960 3.294482 ESP Fit Center 4693 is at 5.548641 2.026519 3.294482 ESP Fit Center 4694 is at 5.193725 1.803510 3.294482 ESP Fit Center 4695 is at 4.897331 1.507117 3.294482 ESP Fit Center 4696 is at 8.185742 -0.076498 3.294482 ESP Fit Center 4697 is at 8.280812 0.340030 2.867242 ESP Fit Center 4698 is at 8.235923 0.752773 2.867242 ESP Fit Center 4699 is at 8.103357 1.146217 2.867242 ESP Fit Center 4700 is at 7.889310 1.501964 2.867242 ESP Fit Center 4701 is at 7.603793 1.803381 2.867242 ESP Fit Center 4702 is at 7.260156 2.036373 2.867242 ESP Fit Center 4703 is at 6.874466 2.190046 2.867242 ESP Fit Center 4704 is at 6.464758 2.257214 2.867242 ESP Fit Center 4705 is at 6.050190 2.234737 2.867242 ESP Fit Center 4706 is at 5.650147 2.123665 2.867242 ESP Fit Center 4707 is at 5.283333 1.929193 2.867242 ESP Fit Center 4708 is at 4.966900 1.660413 2.867242 ESP Fit Center 4709 is at 8.235923 -0.072713 2.867242 ESP Fit Center 4710 is at 8.232673 0.340030 2.440001 ESP Fit Center 4711 is at 8.185742 0.756558 2.440001 ESP Fit Center 4712 is at 8.047301 1.152200 2.440001 ESP Fit Center 4713 is at 7.824292 1.507117 2.440001 ESP Fit Center 4714 is at 7.527898 1.803510 2.440001 ESP Fit Center 4715 is at 7.172982 2.026519 2.440001 ESP Fit Center 4716 is at 6.777340 2.164960 2.440001 ESP Fit Center 4717 is at 6.360812 2.211892 2.440001 ESP Fit Center 4718 is at 5.944283 2.164960 2.440001 ESP Fit Center 4719 is at 5.548641 2.026519 2.440001 ESP Fit Center 4720 is at 5.193725 1.803510 2.440001 ESP Fit Center 4721 is at 4.897331 1.507117 2.440001 ESP Fit Center 4722 is at 8.090672 0.340030 2.034185 ESP Fit Center 4723 is at 8.040405 0.754013 2.034185 ESP Fit Center 4724 is at 7.892527 1.143936 2.034185 ESP Fit Center 4725 is at 7.655631 1.487139 2.034185 ESP Fit Center 4726 is at 7.343484 1.763677 2.034185 ESP Fit Center 4727 is at 6.974229 1.957477 2.034185 ESP Fit Center 4728 is at 6.569323 2.057278 2.034185 ESP Fit Center 4729 is at 6.152300 2.057278 2.034185 ESP Fit Center 4730 is at 7.861928 0.340030 1.670141 ESP Fit Center 4731 is at 7.801122 0.762943 1.670141 ESP Fit Center 4732 is at 7.623631 1.151595 1.670141 ESP Fit Center 4733 is at 7.343834 1.474498 1.670141 ESP Fit Center 4734 is at 6.984398 1.705493 1.670141 ESP Fit Center 4735 is at 7.485718 0.749462 1.366125 ESP Fit Center 4736 is at 7.277844 1.109511 1.366125 ESP Fit Center 4737 is at 6.496547 -1.361636 5.345229 ESP Fit Center 4738 is at 6.923787 -1.361636 5.297091 ESP Fit Center 4739 is at 6.710167 -0.991635 5.297091 ESP Fit Center 4740 is at 6.282926 -0.991635 5.297091 ESP Fit Center 4741 is at 6.069306 -1.361636 5.297091 ESP Fit Center 4742 is at 6.282926 -1.731637 5.297091 ESP Fit Center 4743 is at 6.710167 -1.731637 5.297091 ESP Fit Center 4744 is at 7.329603 -1.361636 5.155089 ESP Fit Center 4745 is at 7.217995 -0.945107 5.155089 ESP Fit Center 4746 is at 6.913075 -0.640187 5.155089 ESP Fit Center 4747 is at 6.496547 -0.528579 5.155089 ESP Fit Center 4748 is at 5.663490 -1.361636 5.155089 ESP Fit Center 4749 is at 5.775098 -1.778164 5.155089 ESP Fit Center 4750 is at 6.080018 -2.083084 5.155089 ESP Fit Center 4751 is at 6.496547 -2.194693 5.155089 ESP Fit Center 4752 is at 6.913075 -2.083084 5.155089 ESP Fit Center 4753 is at 7.217995 -1.778164 5.155089 ESP Fit Center 4754 is at 7.693647 -1.361636 4.926346 ESP Fit Center 4755 is at 7.621453 -0.952203 4.926346 ESP Fit Center 4756 is at 7.413579 -0.592154 4.926346 ESP Fit Center 4757 is at 7.095097 -0.324916 4.926346 ESP Fit Center 4758 is at 5.371640 -1.771068 4.926346 ESP Fit Center 4759 is at 5.579514 -2.131117 4.926346 ESP Fit Center 4760 is at 5.897996 -2.398355 4.926346 ESP Fit Center 4761 is at 6.288672 -2.540550 4.926346 ESP Fit Center 4762 is at 6.704421 -2.540550 4.926346 ESP Fit Center 4763 is at 7.095097 -2.398355 4.926346 ESP Fit Center 4764 is at 7.413579 -2.131117 4.926346 ESP Fit Center 4765 is at 7.621453 -1.771068 4.926346 ESP Fit Center 4766 is at 7.997663 -1.361636 4.622330 ESP Fit Center 4767 is at 7.936857 -0.938722 4.622330 ESP Fit Center 4768 is at 7.759366 -0.550071 4.622330 ESP Fit Center 4769 is at 7.479569 -0.227168 4.622330 ESP Fit Center 4770 is at 5.233727 -2.173201 4.622330 ESP Fit Center 4771 is at 5.513524 -2.496104 4.622330 ESP Fit Center 4772 is at 5.872960 -2.727099 4.622330 ESP Fit Center 4773 is at 6.282915 -2.847473 4.622330 ESP Fit Center 4774 is at 6.710178 -2.847473 4.622330 ESP Fit Center 4775 is at 7.120133 -2.727099 4.622330 ESP Fit Center 4776 is at 7.479569 -2.496104 4.622330 ESP Fit Center 4777 is at 7.759366 -2.173201 4.622330 ESP Fit Center 4778 is at 7.936857 -1.784549 4.622330 ESP Fit Center 4779 is at 8.226407 -1.361636 4.258286 ESP Fit Center 4780 is at 8.176140 -0.947653 4.258286 ESP Fit Center 4781 is at 8.028262 -0.557730 4.258286 ESP Fit Center 4782 is at 7.791366 -0.214526 4.258286 ESP Fit Center 4783 is at 5.201728 -2.508745 4.258286 ESP Fit Center 4784 is at 5.513874 -2.785283 4.258286 ESP Fit Center 4785 is at 5.883130 -2.979083 4.258286 ESP Fit Center 4786 is at 6.288035 -3.078883 4.258286 ESP Fit Center 4787 is at 6.705058 -3.078883 4.258286 ESP Fit Center 4788 is at 7.109963 -2.979083 4.258286 ESP Fit Center 4789 is at 7.479219 -2.785283 4.258286 ESP Fit Center 4790 is at 7.791366 -2.508745 4.258286 ESP Fit Center 4791 is at 8.028262 -2.165542 4.258286 ESP Fit Center 4792 is at 8.176140 -1.775618 4.258286 ESP Fit Center 4793 is at 8.368408 -1.361636 3.852469 ESP Fit Center 4794 is at 8.321477 -0.945107 3.852469 ESP Fit Center 4795 is at 8.183036 -0.549465 3.852469 ESP Fit Center 4796 is at 5.329460 -2.825116 3.852469 ESP Fit Center 4797 is at 5.684376 -3.048125 3.852469 ESP Fit Center 4798 is at 6.080018 -3.186566 3.852469 ESP Fit Center 4799 is at 6.496547 -3.233497 3.852469 ESP Fit Center 4800 is at 6.913075 -3.186566 3.852469 ESP Fit Center 4801 is at 7.308717 -3.048125 3.852469 ESP Fit Center 4802 is at 7.663633 -2.825116 3.852469 ESP Fit Center 4803 is at 7.960027 -2.528722 3.852469 ESP Fit Center 4804 is at 8.183036 -2.173806 3.852469 ESP Fit Center 4805 is at 8.321477 -1.778164 3.852469 ESP Fit Center 4806 is at 8.416547 -1.361636 3.425229 ESP Fit Center 4807 is at 8.371658 -0.948892 3.425229 ESP Fit Center 4808 is at 8.239091 -0.555449 3.425229 ESP Fit Center 4809 is at 5.419067 -2.950799 3.425229 ESP Fit Center 4810 is at 5.785881 -3.145271 3.425229 ESP Fit Center 4811 is at 6.185925 -3.256343 3.425229 ESP Fit Center 4812 is at 6.600493 -3.278820 3.425229 ESP Fit Center 4813 is at 7.010201 -3.211652 3.425229 ESP Fit Center 4814 is at 7.395891 -3.057979 3.425229 ESP Fit Center 4815 is at 7.739528 -2.824987 3.425229 ESP Fit Center 4816 is at 8.025045 -2.523570 3.425229 ESP Fit Center 4817 is at 8.239091 -2.167823 3.425229 ESP Fit Center 4818 is at 8.371658 -1.774379 3.425229 ESP Fit Center 4819 is at 8.368408 -1.361636 2.997989 ESP Fit Center 4820 is at 8.321477 -0.945107 2.997989 ESP Fit Center 4821 is at 5.684376 -3.048125 2.997989 ESP Fit Center 4822 is at 6.080018 -3.186566 2.997989 ESP Fit Center 4823 is at 6.496547 -3.233497 2.997989 ESP Fit Center 4824 is at 6.913075 -3.186566 2.997989 ESP Fit Center 4825 is at 7.308717 -3.048125 2.997989 ESP Fit Center 4826 is at 7.663633 -2.825116 2.997989 ESP Fit Center 4827 is at 7.960027 -2.528722 2.997989 ESP Fit Center 4828 is at 8.183036 -2.173806 2.997989 ESP Fit Center 4829 is at 8.321477 -1.778164 2.997989 ESP Fit Center 4830 is at 8.226407 -1.361636 2.592172 ESP Fit Center 4831 is at 6.705058 -3.078883 2.592172 ESP Fit Center 4832 is at 7.109963 -2.979083 2.592172 ESP Fit Center 4833 is at 7.479219 -2.785283 2.592172 ESP Fit Center 4834 is at 7.791366 -2.508745 2.592172 ESP Fit Center 4835 is at 8.028262 -2.165542 2.592172 ESP Fit Center 4836 is at 8.176140 -1.775618 2.592172 ESP Fit Center 4837 is at -3.822224 -1.629312 2.922612 ESP Fit Center 4838 is at -4.033411 -1.263526 2.922612 ESP Fit Center 4839 is at -6.942405 -2.474227 0.440349 ESP Fit Center 4840 is at -7.107176 -1.036022 0.079104 ESP Fit Center 4841 is at -7.215710 -1.441077 0.079104 ESP Fit Center 4842 is at -7.252258 -1.858826 0.079104 ESP Fit Center 4843 is at -7.215710 -2.276574 0.079104 ESP Fit Center 4844 is at -7.379371 -1.436171 -0.312325 ESP Fit Center 4845 is at -7.414393 -1.858826 -0.312325 ESP Fit Center 4846 is at -7.513299 -1.858826 -0.724298 ESP Fit Center 4847 is at -7.538618 -1.652143 -1.146671 ESP Fit Center 4848 is at -7.538618 -2.065508 -1.146671 ESP Fit Center 4849 is at -7.513299 -1.858826 -1.569044 ESP Fit Center 4850 is at -4.022467 -4.395064 -1.569044 ESP Fit Center 4851 is at -3.635858 -4.234925 -1.569044 ESP Fit Center 4852 is at -3.279059 -4.016278 -1.569044 ESP Fit Center 4853 is at -7.414393 -1.858826 -1.981017 ESP Fit Center 4854 is at -4.216170 -4.348102 -1.981017 ESP Fit Center 4855 is at -3.815046 -4.210396 -1.981017 ESP Fit Center 4856 is at -3.643682 0.224587 -2.372445 ESP Fit Center 4857 is at -4.023737 0.401810 -2.372445 ESP Fit Center 4858 is at -7.252258 -1.858826 -2.372445 ESP Fit Center 4859 is at -7.215710 -2.276574 -2.372445 ESP Fit Center 4860 is at -4.428792 -4.227995 -2.372445 ESP Fit Center 4861 is at -4.023737 -4.119461 -2.372445 ESP Fit Center 4862 is at -3.939131 0.128125 -2.733691 ESP Fit Center 4863 is at -7.020996 -2.066461 -2.733691 ESP Fit Center 4864 is at -6.942405 -2.474227 -2.733691 ESP Fit Center 4865 is at -4.331562 -3.981598 -2.733691 ESP Fit Center 4866 is at -4.018175 -0.138706 -3.055859 ESP Fit Center 4867 is at -4.421706 0.002495 -3.055859 ESP Fit Center 4868 is at -6.755729 -1.858826 -3.055859 ESP Fit Center 4869 is at -6.707862 -2.283660 -3.055859 ESP Fit Center 4870 is at -6.566660 -2.687191 -3.055859 ESP Fit Center 4871 is at -4.846541 -3.768014 -3.055859 ESP Fit Center 4872 is at -4.435790 -0.325882 -3.331017 ESP Fit Center 4873 is at -6.379485 -1.448074 -3.331017 ESP Fit Center 4874 is at -6.433561 -1.858826 -3.331017 ESP Fit Center 4875 is at -6.379485 -2.269577 -3.331017 ESP Fit Center 4876 is at -6.220941 -2.652336 -3.331017 ESP Fit Center 4877 is at -5.968734 -2.981018 -3.331017 ESP Fit Center 4878 is at -5.640051 -3.233225 -3.331017 ESP Fit Center 4879 is at -5.257292 -3.391769 -3.331017 ESP Fit Center 4880 is at -4.846541 -3.445846 -3.331017 ESP Fit Center 4881 is at -4.633687 -0.651673 -3.552388 ESP Fit Center 4882 is at -5.059394 -0.651673 -3.552388 ESP Fit Center 4883 is at -5.998392 -1.439586 -3.552388 ESP Fit Center 4884 is at -6.072315 -1.858826 -3.552388 ESP Fit Center 4885 is at -5.998392 -2.278065 -3.552388 ESP Fit Center 4886 is at -5.785538 -2.646738 -3.552388 ESP Fit Center 4887 is at -5.459428 -2.920377 -3.552388 ESP Fit Center 4888 is at -5.059394 -3.065978 -3.552388 ESP Fit Center 4889 is at -4.846541 -1.024480 -3.714523 ESP Fit Center 4890 is at -5.263714 -1.136261 -3.714523 ESP Fit Center 4891 is at -5.569106 -1.441653 -3.714523 ESP Fit Center 4892 is at -5.680887 -1.858826 -3.714523 ESP Fit Center 4893 is at -5.569106 -2.275998 -3.714523 ESP Fit Center 4894 is at -5.263714 -2.581390 -3.714523 ESP Fit Center 4895 is at -5.057727 -1.493040 -3.813429 ESP Fit Center 4896 is at -5.268914 -1.858826 -3.813429 ESP Fit Center 4897 is at -5.057727 -2.224611 -3.813429 ESP Fit Center 4898 is at -3.414699 -2.722737 3.115685 ESP Fit Center 4899 is at -2.999920 -2.722737 3.081315 ESP Fit Center 4900 is at -3.207310 -2.363528 3.081315 ESP Fit Center 4901 is at -3.622088 -2.363528 3.081315 ESP Fit Center 4902 is at -3.829477 -2.722737 3.081315 ESP Fit Center 4903 is at -3.622088 -3.081946 3.081315 ESP Fit Center 4904 is at -3.207310 -3.081946 3.081315 ESP Fit Center 4905 is at -2.596456 -2.722737 2.979144 ESP Fit Center 4906 is at -2.706080 -2.313616 2.979144 ESP Fit Center 4907 is at -3.005577 -2.014118 2.979144 ESP Fit Center 4908 is at -3.414699 -1.904494 2.979144 ESP Fit Center 4909 is at -3.823820 -2.014118 2.979144 ESP Fit Center 4910 is at -4.123318 -2.313616 2.979144 ESP Fit Center 4911 is at -4.232941 -2.722737 2.979144 ESP Fit Center 4912 is at -4.123318 -3.131858 2.979144 ESP Fit Center 4913 is at -3.823820 -3.431356 2.979144 ESP Fit Center 4914 is at -3.414699 -3.540980 2.979144 ESP Fit Center 4915 is at -3.005577 -3.431356 2.979144 ESP Fit Center 4916 is at -2.706080 -3.131858 2.979144 ESP Fit Center 4917 is at -2.215311 -2.722737 2.811959 ESP Fit Center 4918 is at -2.287643 -2.312522 2.811959 ESP Fit Center 4919 is at -2.495915 -1.951786 2.811959 ESP Fit Center 4920 is at -2.815005 -1.684037 2.811959 ESP Fit Center 4921 is at -3.206427 -1.541571 2.811959 ESP Fit Center 4922 is at -4.614086 -2.722737 2.811959 ESP Fit Center 4923 is at -4.541754 -3.132952 2.811959 ESP Fit Center 4924 is at -4.333483 -3.493688 2.811959 ESP Fit Center 4925 is at -4.014393 -3.761437 2.811959 ESP Fit Center 4926 is at -3.622970 -3.903903 2.811959 ESP Fit Center 4927 is at -3.206427 -3.903903 2.811959 ESP Fit Center 4928 is at -2.815005 -3.761437 2.811959 ESP Fit Center 4929 is at -2.495915 -3.493688 2.811959 ESP Fit Center 4930 is at -2.287643 -3.132952 2.811959 ESP Fit Center 4931 is at -1.866883 -2.722737 2.584319 ESP Fit Center 4932 is at -1.924280 -2.305141 2.584319 ESP Fit Center 4933 is at -2.092215 -1.918517 2.584319 ESP Fit Center 4934 is at -2.358232 -1.591537 2.584319 ESP Fit Center 4935 is at -3.099786 -4.238179 2.584319 ESP Fit Center 4936 is at -2.702603 -4.097020 2.584319 ESP Fit Center 4937 is at -2.358232 -3.853937 2.584319 ESP Fit Center 4938 is at -2.092215 -3.526957 2.584319 ESP Fit Center 4939 is at -1.924280 -3.140333 2.584319 ESP Fit Center 4940 is at -1.560675 -2.722737 2.302435 ESP Fit Center 4941 is at -1.610650 -2.295170 2.302435 ESP Fit Center 4942 is at -1.757882 -1.890652 2.302435 ESP Fit Center 4943 is at -2.680357 -4.425132 2.302435 ESP Fit Center 4944 is at -2.307552 -4.209893 2.302435 ESP Fit Center 4945 is at -1.994434 -3.914481 2.302435 ESP Fit Center 4946 is at -1.757882 -3.554822 2.302435 ESP Fit Center 4947 is at -1.610650 -3.150304 2.302435 ESP Fit Center 4948 is at -1.305039 -2.722737 1.973994 ESP Fit Center 4949 is at -1.348224 -2.298066 1.973994 ESP Fit Center 4950 is at -2.682003 -4.701075 1.973994 ESP Fit Center 4951 is at -2.298765 -4.513087 1.973994 ESP Fit Center 4952 is at -1.961213 -4.251803 1.973994 ESP Fit Center 4953 is at -1.683167 -3.927918 1.973994 ESP Fit Center 4954 is at -1.476011 -3.554694 1.973994 ESP Fit Center 4955 is at -1.348224 -3.147408 1.973994 ESP Fit Center 4956 is at -1.106950 -2.722737 1.607957 ESP Fit Center 4957 is at -2.386047 -4.788549 1.607957 ESP Fit Center 4958 is at -2.023969 -4.564360 1.607957 ESP Fit Center 4959 is at -1.709252 -4.277457 1.607957 ESP Fit Center 4960 is at -1.452611 -3.937610 1.607957 ESP Fit Center 4961 is at -1.262787 -3.556392 1.607957 ESP Fit Center 4962 is at -1.146244 -3.146785 1.607957 ESP Fit Center 4963 is at -0.971810 -2.722737 1.214308 ESP Fit Center 4964 is at -2.193254 -4.838341 1.214308 ESP Fit Center 4965 is at -1.844440 -4.594098 1.214308 ESP Fit Center 4966 is at -1.543338 -4.292996 1.214308 ESP Fit Center 4967 is at -1.299095 -3.944181 1.214308 ESP Fit Center 4968 is at -1.119134 -3.558254 1.214308 ESP Fit Center 4969 is at -1.008923 -3.146940 1.214308 ESP Fit Center 4970 is at -2.097957 -4.861261 0.803785 ESP Fit Center 4971 is at -1.755485 -4.607970 0.803785 ESP Fit Center 4972 is at -1.460745 -4.300444 0.803785 ESP Fit Center 4973 is at -1.222217 -3.947531 0.803785 ESP Fit Center 4974 is at -1.046763 -3.559382 0.803785 ESP Fit Center 4975 is at -0.939430 -3.147164 0.803785 ESP Fit Center 4976 is at -2.097957 -4.861261 0.387585 ESP Fit Center 4977 is at -1.755485 -4.607970 0.387585 ESP Fit Center 4978 is at -1.460745 -4.300444 0.387585 ESP Fit Center 4979 is at -1.222217 -3.947531 0.387585 ESP Fit Center 4980 is at -1.046763 -3.559382 0.387585 ESP Fit Center 4981 is at -2.193254 -4.838341 -0.022938 ESP Fit Center 4982 is at -1.844440 -4.594098 -0.022938 ESP Fit Center 4983 is at -1.543338 -4.292996 -0.022938 ESP Fit Center 4984 is at -1.299095 -3.944181 -0.022938 ESP Fit Center 4985 is at -1.119134 -3.558254 -0.022938 ESP Fit Center 4986 is at -2.386047 -4.788549 -0.416587 ESP Fit Center 4987 is at -2.023969 -4.564360 -0.416587 ESP Fit Center 4988 is at -1.709252 -4.277457 -0.416587 ESP Fit Center 4989 is at -1.452611 -3.937610 -0.416587 ESP Fit Center 4990 is at -1.262787 -3.556392 -0.416587 ESP Fit Center 4991 is at -2.682003 -4.701075 -0.782624 ESP Fit Center 4992 is at -2.298765 -4.513087 -0.782624 ESP Fit Center 4993 is at -1.961213 -4.251803 -0.782624 ESP Fit Center 4994 is at -1.683167 -3.927918 -0.782624 ESP Fit Center 4995 is at -1.476011 -3.554694 -0.782624 ESP Fit Center 4996 is at -3.092751 -4.548594 -1.111065 ESP Fit Center 4997 is at -2.680357 -4.425132 -1.111065 ESP Fit Center 4998 is at -2.307552 -4.209893 -1.111065 ESP Fit Center 4999 is at -1.994434 -3.914481 -1.111065 ESP Fit Center 5000 is at -1.757882 -3.554822 -1.111065 ESP Fit Center 5001 is at -3.520325 -4.266945 -1.392949 ESP Fit Center 5002 is at -3.099786 -4.238179 -1.392949 ESP Fit Center 5003 is at -2.702603 -4.097020 -1.392949 ESP Fit Center 5004 is at -2.358232 -3.853937 -1.392949 ESP Fit Center 5005 is at -2.092215 -3.526957 -1.392949 ESP Fit Center 5006 is at -2.815005 -3.761437 -1.620589 ESP Fit Center 5007 is at -2.495915 -3.493688 -1.620589 ESP Fit Center 5008 is at -1.439435 2.907346 2.961536 ESP Fit Center 5009 is at -1.024656 2.907346 2.927167 ESP Fit Center 5010 is at -1.232045 3.266555 2.927167 ESP Fit Center 5011 is at -1.646824 3.266555 2.927167 ESP Fit Center 5012 is at -1.854213 2.907346 2.927167 ESP Fit Center 5013 is at -1.232045 2.548138 2.927167 ESP Fit Center 5014 is at -0.621192 2.907346 2.824996 ESP Fit Center 5015 is at -0.730816 3.316467 2.824996 ESP Fit Center 5016 is at -1.030313 3.615965 2.824996 ESP Fit Center 5017 is at -1.439435 3.725589 2.824996 ESP Fit Center 5018 is at -1.848556 3.615965 2.824996 ESP Fit Center 5019 is at -2.148054 3.316467 2.824996 ESP Fit Center 5020 is at -0.730816 2.498225 2.824996 ESP Fit Center 5021 is at -0.240047 2.907346 2.657810 ESP Fit Center 5022 is at -0.312379 3.317561 2.657810 ESP Fit Center 5023 is at -0.520651 3.678298 2.657810 ESP Fit Center 5024 is at -0.839741 3.946046 2.657810 ESP Fit Center 5025 is at -1.231163 4.088512 2.657810 ESP Fit Center 5026 is at -1.647706 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Fit Center 5174 is at -0.932379 0.722618 2.554753 ESP Fit Center 5175 is at -0.680172 1.051300 2.554753 ESP Fit Center 5176 is at -0.521628 1.434059 2.554753 ESP Fit Center 5177 is at -0.193251 1.419976 2.279596 ESP Fit Center 5178 is at -3.146745 3.736509 -1.216613 ESP Fit Center 5179 is at -2.882937 3.564930 -1.538781 ESP Fit Center 5180 is at -3.244931 3.337474 -1.538781 ESP Fit Center 5181 is at -2.465323 3.377754 -1.813938 ESP Fit Center 5182 is at -2.848082 3.219210 -1.813938 ESP Fit Center 5183 is at -3.176764 2.967003 -1.813938 ESP Fit Center 5184 is at -2.267425 3.051963 -2.035310 ESP Fit Center 5185 is at -2.667459 2.906362 -2.035310 ESP Fit Center 5186 is at -2.993569 2.632723 -2.035310 ESP Fit Center 5187 is at -3.206423 2.264050 -2.035310 ESP Fit Center 5188 is at -3.280346 1.844810 -2.035310 ESP Fit Center 5189 is at -3.206423 1.425571 -2.035310 ESP Fit Center 5190 is at -1.637399 2.567375 -2.197445 ESP Fit Center 5191 is at -2.054572 2.679156 -2.197445 ESP Fit Center 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Center 5229 is at -2.501354 3.541619 2.654721 ESP Fit Center 5230 is at -2.139360 0.328836 2.654721 ESP Fit Center 5231 is at -5.588079 3.043663 -0.088813 ESP Fit Center 5232 is at -3.747468 4.190669 -0.480242 ESP Fit Center 5233 is at -4.876085 3.664386 -0.480242 ESP Fit Center 5234 is at -5.172606 3.367865 -0.480242 ESP Fit Center 5235 is at -5.413132 3.024359 -0.480242 ESP Fit Center 5236 is at -3.640585 3.983612 -0.841488 ESP Fit Center 5237 is at -4.044149 3.885708 -0.841488 ESP Fit Center 5238 is at -4.421893 3.713199 -0.841488 ESP Fit Center 5239 is at -4.760162 3.472318 -0.841488 ESP Fit Center 5240 is at -5.046732 3.171773 -0.841488 ESP Fit Center 5241 is at -5.271244 2.822425 -0.841488 ESP Fit Center 5242 is at -5.425584 2.436901 -0.841488 ESP Fit Center 5243 is at -3.329720 3.730688 -1.163656 ESP Fit Center 5244 is at -3.754554 3.682821 -1.163656 ESP Fit Center 5245 is at -4.158086 3.541619 -1.163656 ESP Fit Center 5246 is at -4.520079 3.314163 -1.163656 ESP Fit Center 5247 is at -4.822383 3.011859 -1.163656 ESP Fit Center 5248 is at -5.049839 2.649866 -1.163656 ESP Fit Center 5249 is at -3.329720 3.408520 -1.438813 ESP Fit Center 5250 is at -3.740471 3.354444 -1.438813 ESP Fit Center 5251 is at -4.123230 3.195900 -1.438813 ESP Fit Center 5252 is at -4.451913 2.943693 -1.438813 ESP Fit Center 5253 is at -4.704120 2.615010 -1.438813 ESP Fit Center 5254 is at -4.862664 2.232251 -1.438813 ESP Fit Center 5255 is at -3.542573 3.028652 -1.660185 ESP Fit Center 5256 is at -3.942607 2.883052 -1.660185 ESP Fit Center 5257 is at -4.268717 2.609412 -1.660185 ESP Fit Center 5258 is at -4.481571 2.240739 -1.660185 ESP Fit Center 5259 is at -3.746893 2.544065 -1.822320 ESP Fit Center 5260 is at -4.052285 2.238673 -1.822320 ESP Fit Center 5261 is at -4.164066 1.821500 -1.822320 ESP Fit Center 5262 is at -3.540906 2.187286 -1.921226 ESP Fit Center 5263 is at -3.752093 1.821500 -1.921226 ESP Fit Center 5264 is at -3.540906 1.455714 -1.921226 ESP Fit Center 5265 is at 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Fit Center 5302 is at -5.037874 0.314436 3.530476 ESP Fit Center 5303 is at -4.427021 0.673645 3.428305 ESP Fit Center 5304 is at -4.536645 1.082766 3.428305 ESP Fit Center 5305 is at -4.836142 1.382264 3.428305 ESP Fit Center 5306 is at -5.245264 1.491888 3.428305 ESP Fit Center 5307 is at -5.654385 1.382264 3.428305 ESP Fit Center 5308 is at -5.953883 1.082766 3.428305 ESP Fit Center 5309 is at -6.063506 0.673645 3.428305 ESP Fit Center 5310 is at -5.953883 0.264524 3.428305 ESP Fit Center 5311 is at -5.654385 -0.034974 3.428305 ESP Fit Center 5312 is at -5.245264 -0.144598 3.428305 ESP Fit Center 5313 is at -4.836142 -0.034974 3.428305 ESP Fit Center 5314 is at -4.536645 0.264524 3.428305 ESP Fit Center 5315 is at -4.645570 1.712345 3.261119 ESP Fit Center 5316 is at -5.036992 1.854811 3.261119 ESP Fit Center 5317 is at -5.453535 1.854811 3.261119 ESP Fit Center 5318 is at -5.844957 1.712345 3.261119 ESP Fit Center 5319 is at -6.164048 1.444596 3.261119 ESP Fit Center 5320 is at 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3.033479 ESP Fit Center 5339 is at -6.137859 -0.590874 3.033479 ESP Fit Center 5340 is at -5.763596 -0.784802 3.033479 ESP Fit Center 5341 is at -5.350890 -0.870563 3.033479 ESP Fit Center 5342 is at -4.930351 -0.841797 3.033479 ESP Fit Center 5343 is at -4.533168 -0.700638 3.033479 ESP Fit Center 5344 is at -5.353066 2.524533 2.751595 ESP Fit Center 5345 is at -5.777004 2.449781 2.751595 ESP Fit Center 5346 is at -6.172276 2.279277 2.751595 ESP Fit Center 5347 is at -6.517572 2.022213 2.751595 ESP Fit Center 5348 is at -6.794278 1.692448 2.751595 ESP Fit Center 5349 is at -6.987477 1.307759 2.751595 ESP Fit Center 5350 is at -7.086752 0.888884 2.751595 ESP Fit Center 5351 is at -7.086752 0.458406 2.751595 ESP Fit Center 5352 is at -6.987477 0.039531 2.751595 ESP Fit Center 5353 is at -6.794278 -0.345158 2.751595 ESP Fit Center 5354 is at -6.517572 -0.674923 2.751595 ESP Fit Center 5355 is at -6.172276 -0.931987 2.751595 ESP Fit Center 5356 is at -5.774055 2.715958 2.423155 ESP Fit 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1.252945 ESP Fit Center 5394 is at -7.058379 2.411375 1.252945 ESP Fit Center 5395 is at -7.325977 2.079962 1.252945 ESP Fit Center 5396 is at -7.533716 1.708091 1.252945 ESP Fit Center 5397 is at -7.675621 1.306461 1.252945 ESP Fit Center 5398 is at -7.747609 0.886626 1.252945 ESP Fit Center 5399 is at -7.747609 0.460664 1.252945 ESP Fit Center 5400 is at -7.675621 0.040829 1.252945 ESP Fit Center 5401 is at -7.533716 -0.360801 1.252945 ESP Fit Center 5402 is at -7.325977 -0.732672 1.252945 ESP Fit Center 5403 is at -5.980657 3.074955 0.836745 ESP Fit Center 5404 is at -6.375902 2.916133 0.836745 ESP Fit Center 5405 is at -6.738621 2.692798 0.836745 ESP Fit Center 5406 is at -7.058379 2.411375 0.836745 ESP Fit Center 5407 is at -7.325977 2.079962 0.836745 ESP Fit Center 5408 is at -7.533716 1.708091 0.836745 ESP Fit Center 5409 is at -7.675621 1.306461 0.836745 ESP Fit Center 5410 is at -7.747609 0.886626 0.836745 ESP Fit Center 5411 is at -7.747609 0.460664 0.836745 ESP Fit Center 5412 is at -7.675621 0.040829 0.836745 ESP Fit Center 5413 is at -7.533716 -0.360801 0.836745 ESP Fit Center 5414 is at -7.325977 -0.732672 0.836745 ESP Fit Center 5415 is at -6.080781 2.969209 0.426222 ESP Fit Center 5416 is at -6.466708 2.789249 0.426222 ESP Fit Center 5417 is at -6.815522 2.545006 0.426222 ESP Fit Center 5418 is at -7.116625 2.243904 0.426222 ESP Fit Center 5419 is at -7.360867 1.895089 0.426222 ESP Fit Center 5420 is at -7.540828 1.509162 0.426222 ESP Fit Center 5421 is at -7.651039 1.097848 0.426222 ESP Fit Center 5422 is at -7.688152 0.673645 0.426222 ESP Fit Center 5423 is at -7.651039 0.249442 0.426222 ESP Fit Center 5424 is at -7.540828 -0.161872 0.426222 ESP Fit Center 5425 is at -7.360867 -0.547799 0.426222 ESP Fit Center 5426 is at -7.116625 -0.896614 0.426222 ESP Fit Center 5427 is at -5.876809 2.893297 0.032573 ESP Fit Center 5428 is at -6.273916 2.739457 0.032573 ESP Fit Center 5429 is at -6.635993 2.515268 0.032573 ESP Fit Center 5430 is at -6.950711 2.228365 0.032573 ESP Fit Center 5431 is at -7.207351 1.888518 0.032573 ESP Fit Center 5432 is at -7.397175 1.507300 0.032573 ESP Fit Center 5433 is at -7.513719 1.097693 0.032573 ESP Fit Center 5434 is at -7.553012 0.673645 0.032573 ESP Fit Center 5435 is at -7.513719 0.249597 0.032573 ESP Fit Center 5436 is at -7.397175 -0.160010 0.032573 ESP Fit Center 5437 is at -7.207351 -0.541228 0.032573 ESP Fit Center 5438 is at -5.774055 2.715958 -0.333464 ESP Fit Center 5439 is at -6.174345 2.567707 -0.333464 ESP Fit Center 5440 is at -6.536599 2.341913 -0.333464 ESP Fit Center 5441 is at -6.845985 2.047819 -0.333464 ESP Fit Center 5442 is at -7.089837 1.697467 -0.333464 ESP Fit Center 5443 is at -7.258173 1.305199 -0.333464 ESP Fit Center 5444 is at -7.344099 0.887076 -0.333464 ESP Fit Center 5445 is at -7.344099 0.460214 -0.333464 ESP Fit Center 5446 is at -7.258173 0.042091 -0.333464 ESP Fit Center 5447 is at -5.777004 2.449781 -0.661904 ESP Fit Center 5448 is at -6.172276 2.279277 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ESP Fit Center 5467 is at -2.757261 -0.890050 2.823712 ESP Fit Center 5468 is at -2.254052 -0.472877 2.661577 ESP Fit Center 5469 is at -2.327975 -0.053637 2.661577 ESP Fit Center 5470 is at -2.540828 -1.260790 2.661577 ESP Fit Center 5471 is at -2.327975 -0.892117 2.661577 ESP Fit Center 5472 is at -3.479826 1.114143 -1.928487 ESP Fit Center 5473 is at -3.692679 0.734275 -2.149858 ESP Fit Center 5474 is at -4.092713 0.588675 -2.149858 ESP Fit Center 5475 is at -1.724728 -0.508355 2.521246 ESP Fit Center 5476 is at -1.935915 -0.142569 2.521246 ESP Fit Center 5477 is at -1.935915 -0.874140 2.521246 ESP Fit Center 5478 is at -1.312755 -0.508355 2.422340 ESP Fit Center 5479 is at -1.729928 -1.230919 2.422340 ESP Fit Center 5480 is at -1.424536 -0.925528 2.422340 ESP Fit Center 5481 is at -1.534214 -1.569906 2.260205 ESP Fit Center 5482 is at -1.208104 -1.296267 2.260205 ESP Fit Center 5483 is at -0.995250 -0.927594 2.260205 ESP Fit Center 5484 is at -1.353591 -1.882754 2.038834 ESP Fit Center 5485 is at -1.024908 -1.630547 2.038834 ESP Fit Center 5486 is at -0.772701 -1.301865 2.038834 ESP Fit Center 5487 is at -0.614157 -0.919106 2.038834 ESP Fit Center 5488 is at -0.956742 -2.001018 1.763676 ESP Fit Center 5489 is at -0.654438 -1.698714 1.763676 ESP Fit Center 5490 is at -0.426982 -1.336720 1.763676 ESP Fit Center 5491 is at -0.880056 -2.287670 1.441508 ESP Fit Center 5492 is at -0.566216 -2.015726 1.441508 ESP Fit Center 5493 is at -0.309512 -1.689301 1.441508 ESP Fit Center 5494 is at -3.337461 0.984309 -2.054701 ESP Fit Center 5495 is at -2.940611 0.866045 -2.329858 ESP Fit Center 5496 is at -3.269294 0.613838 -2.329858 ESP Fit Center 5497 is at -2.759988 0.553197 -2.551230 ESP Fit Center 5498 is at -3.086099 0.279558 -2.551230 ESP Fit Center 5499 is at -2.147101 0.325991 -2.713365 ESP Fit Center 5500 is at -2.564274 0.214210 -2.713365 ESP Fit Center 5501 is at -2.869666 -0.091182 -2.713365 ESP Fit Center 5502 is at -1.729928 -1.230919 -2.713365 ESP Fit Center 5503 is at -1.724728 -0.508355 -2.812271 ESP Fit Center 5504 is at -1.935915 -0.142569 -2.812271 ESP Fit Center 5505 is at -2.358288 -0.142569 -2.812271 ESP Fit Center 5506 is at -2.569474 -0.508355 -2.812271 ESP Fit Center 5507 is at -2.358288 -0.874140 -2.812271 ESP Fit Center 5508 is at -1.935915 -0.874140 -2.812271 ESP Fit Center 5509 is at -2.147101 -0.508355 -2.845512 ESP Fit Center 5510 is at -0.982173 0.599472 2.554187 ESP Fit Center 5511 is at -1.615733 0.233687 2.554187 ESP Fit Center 5512 is at -1.193359 0.233687 2.554187 ESP Fit Center 5513 is at -0.570200 0.599472 2.455281 ESP Fit Center 5514 is at -1.404546 -0.234874 2.455281 ESP Fit Center 5515 is at -0.987373 -0.123092 2.455281 ESP Fit Center 5516 is at -0.681981 0.182299 2.455281 ESP Fit Center 5517 is at -0.178772 0.599472 2.293146 ESP Fit Center 5518 is at -0.252695 1.018712 2.293146 ESP Fit Center 5519 is at -0.791659 -0.462079 2.293146 ESP Fit Center 5520 is at -0.465548 -0.188440 2.293146 ESP Fit Center 5521 is at -0.252695 0.180233 2.293146 ESP Fit Center 5522 is at -0.611036 -0.774927 2.071775 ESP Fit Center 5523 is at -0.282353 -0.522720 2.071775 ESP Fit Center 5524 is at -0.030146 -0.194038 2.071775 ESP Fit Center 5525 is at -0.214187 -0.893191 1.796617 ESP Fit Center 5526 is at -1.404546 2.186493 -2.296917 ESP Fit Center 5527 is at -2.526739 1.721665 -2.296917 ESP Fit Center 5528 is at -2.778946 1.392982 -2.296917 ESP Fit Center 5529 is at -2.937490 1.010223 -2.296917 ESP Fit Center 5530 is at -1.617399 1.806624 -2.518289 ESP Fit Center 5531 is at -2.017433 1.661024 -2.518289 ESP Fit Center 5532 is at -2.343544 1.387385 -2.518289 ESP Fit Center 5533 is at -2.556397 1.018712 -2.518289 ESP Fit Center 5534 is at -1.404546 1.433818 -2.680424 ESP Fit Center 5535 is at -1.821719 1.322037 -2.680424 ESP Fit Center 5536 is at -2.127111 1.016645 -2.680424 ESP Fit Center 5537 is at -2.238892 0.599472 -2.680424 ESP Fit Center 5538 is at -1.615733 0.965258 -2.779330 ESP Fit Center 5539 is at -1.826919 0.599472 -2.779330 ESP Fit Center 5540 is at -1.615733 0.233687 -2.779330 ESP Fit Center 5541 is at -5.065318 -1.511795 3.139272 ESP Fit Center 5542 is at -4.643923 -1.511795 3.097768 ESP Fit Center 5543 is at -4.854620 -1.146856 3.097768 ESP Fit Center 5544 is at -5.276015 -1.146856 3.097768 ESP Fit Center 5545 is at -5.486713 -1.511795 3.097768 ESP Fit Center 5546 is at -5.276015 -1.876734 3.097768 ESP Fit Center 5547 is at -4.854620 -1.876734 3.097768 ESP Fit Center 5548 is at -4.238722 -1.511795 2.974851 ESP Fit Center 5549 is at -4.349465 -1.098497 2.974851 ESP Fit Center 5550 is at -5.781171 -1.098497 2.974851 ESP Fit Center 5551 is at -5.891914 -1.511795 2.974851 ESP Fit Center 5552 is at -5.781171 -1.925093 2.974851 ESP Fit Center 5553 is at -5.478616 -2.227648 2.974851 ESP Fit Center 5554 is at -5.065318 -2.338391 2.974851 ESP Fit Center 5555 is at -4.652020 -2.227648 2.974851 ESP Fit Center 5556 is at -4.349465 -1.925093 2.974851 ESP Fit Center 5557 is at -6.192979 -1.101360 2.775246 ESP Fit Center 5558 is at -6.265350 -1.511795 2.775246 ESP Fit Center 5559 is at -6.192979 -1.922230 2.775246 ESP Fit Center 5560 is at -5.984595 -2.283161 2.775246 ESP Fit Center 5561 is at -5.665334 -2.551053 2.775246 ESP Fit Center 5562 is at -5.273701 -2.693596 2.775246 ESP Fit Center 5563 is at -4.856935 -2.693596 2.775246 ESP Fit Center 5564 is at -6.578443 -1.303821 2.506622 ESP Fit Center 5565 is at -6.578443 -1.719769 2.506622 ESP Fit Center 5566 is at -6.466221 -2.120293 2.506622 ESP Fit Center 5567 is at -6.250101 -2.475688 2.506622 ESP Fit Center 5568 is at -5.946111 -2.759595 2.506622 ESP Fit Center 5569 is at -5.576796 -2.950958 2.506622 ESP Fit Center 5570 is at -5.169548 -3.035585 2.506622 ESP Fit Center 5571 is at -6.849148 -1.303295 2.179303 ESP Fit Center 5572 is at -6.849148 -1.720295 2.179303 ESP Fit Center 5573 is at -6.752982 -2.126055 2.179303 ESP Fit Center 5574 is at -6.565833 -2.498699 2.179303 ESP Fit Center 5575 is at -6.297790 -2.818140 2.179303 ESP Fit Center 5576 is at -5.963305 -3.067155 2.179303 ESP Fit Center 5577 is at -5.580409 -3.232320 2.179303 ESP Fit Center 5578 is at -7.017289 -1.096891 1.805868 ESP Fit Center 5579 is at -7.060898 -1.511795 1.805868 ESP Fit Center 5580 is at -7.017289 -1.926700 1.805868 ESP Fit Center 5581 is at -6.888371 -2.323471 1.805868 ESP Fit Center 5582 is at -6.679776 -2.684768 1.805868 ESP Fit Center 5583 is at -6.400621 -2.994800 1.805868 ESP Fit Center 5584 is at -6.063108 -3.240018 1.805868 ESP Fit Center 5585 is at -7.143108 -1.098497 1.400667 ESP Fit Center 5586 is at -7.183814 -1.511795 1.400667 ESP Fit Center 5587 is at -7.143108 -1.925093 1.400667 ESP Fit Center 5588 is at -7.022553 -2.322509 1.400667 ESP Fit Center 5589 is at -6.826783 -2.688769 1.400667 ESP Fit Center 5590 is at -6.563321 -3.009798 1.400667 ESP Fit Center 5591 is at -6.242291 -3.273260 1.400667 ESP Fit Center 5592 is at -7.215537 -1.306474 0.979272 ESP Fit Center 5593 is at -7.215537 -1.717116 0.979272 ESP Fit Center 5594 is at -7.137823 -2.120337 0.979272 ESP Fit Center 5595 is at -6.985202 -2.501564 0.979272 ESP Fit Center 5596 is at -6.763193 -2.847019 0.979272 ESP Fit Center 5597 is at -6.479817 -3.144214 0.979272 ESP Fit Center 5598 is at -7.143108 -1.098497 0.557876 ESP Fit Center 5599 is at -7.183814 -1.511795 0.557876 ESP Fit Center 5600 is at -7.143108 -1.925093 0.557876 ESP Fit Center 5601 is at -7.022553 -2.322509 0.557876 ESP Fit Center 5602 is at -6.826783 -2.688769 0.557876 ESP Fit Center 5603 is at -7.170649 -0.386980 -0.215870 ESP Fit Center 5604 is at -7.266816 -0.792740 -0.215870 ESP Fit Center 5605 is at -7.097443 0.171733 -0.589306 ESP Fit Center 5606 is at -7.306038 -0.189564 -0.589306 ESP Fit Center 5607 is at -7.434957 -0.586335 -0.589306 ESP Fit Center 5608 is at -7.478565 -1.001239 -0.589306 ESP Fit Center 5609 is at -6.980988 0.496764 -0.994507 ESP Fit Center 5610 is at -7.244451 0.175734 -0.994507 ESP Fit Center 5611 is at -7.440221 -0.190526 -0.994507 ESP Fit Center 5612 is at -7.560775 -0.587941 -0.994507 ESP Fit Center 5613 is at -7.601482 -1.001239 -0.994507 ESP Fit Center 5614 is at -7.560775 -1.414538 -0.994507 ESP Fit Center 5615 is at -5.790386 1.136775 -1.415902 ESP Fit Center 5616 is at -6.189452 1.039962 -1.415902 ESP Fit Center 5617 is at -6.562985 0.869375 -1.415902 ESP Fit Center 5618 is at -6.897485 0.631180 -1.415902 ESP Fit Center 5619 is at -7.180860 0.333984 -1.415902 ESP Fit Center 5620 is at -7.402870 -0.011470 -1.415902 ESP Fit Center 5621 is at -7.555490 -0.392697 -1.415902 ESP Fit Center 5622 is at -7.633205 -0.795918 -1.415902 ESP Fit Center 5623 is at -7.633205 -1.206561 -1.415902 ESP Fit Center 5624 is at -7.555490 -1.609782 -1.415902 ESP Fit Center 5625 is at -5.069687 1.076550 -1.837297 ESP Fit Center 5626 is at -5.482985 1.117257 -1.837297 ESP Fit Center 5627 is at -5.896284 1.076550 -1.837297 ESP Fit Center 5628 is at -6.293699 0.955996 -1.837297 ESP Fit Center 5629 is at -6.659959 0.760226 -1.837297 ESP Fit Center 5630 is at -6.980988 0.496764 -1.837297 ESP Fit Center 5631 is at -7.244451 0.175734 -1.837297 ESP Fit Center 5632 is at -7.440221 -0.190526 -1.837297 ESP Fit Center 5633 is at -7.560775 -0.587941 -1.837297 ESP Fit Center 5634 is at -7.601482 -1.001239 -1.837297 ESP Fit Center 5635 is at -7.560775 -1.414538 -1.837297 ESP Fit Center 5636 is at -4.485196 0.726983 -2.242498 ESP Fit Center 5637 is at -4.866317 0.896670 -2.242498 ESP Fit Center 5638 is at -5.274391 0.983408 -2.242498 ESP Fit Center 5639 is at -5.691580 0.983408 -2.242498 ESP Fit Center 5640 is at -6.099654 0.896670 -2.242498 ESP Fit Center 5641 is at -6.480775 0.726983 -2.242498 ESP Fit Center 5642 is at -6.818289 0.481765 -2.242498 ESP Fit Center 5643 is at -7.097443 0.171733 -2.242498 ESP Fit Center 5644 is at -7.306038 -0.189564 -2.242498 ESP Fit Center 5645 is at -7.434957 -0.586335 -2.242498 ESP Fit Center 5646 is at -7.478565 -1.001239 -2.242498 ESP Fit Center 5647 is at -7.434957 -1.416144 -2.242498 ESP Fit 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ESP Fit Center 5810 is at -3.859311 4.434221 2.271883 ESP Fit Center 5811 is at -4.269976 4.361810 2.271883 ESP Fit Center 5812 is at -4.652872 4.196644 2.271883 ESP Fit Center 5813 is at -4.987357 3.947629 2.271883 ESP Fit Center 5814 is at -5.255399 3.628189 2.271883 ESP Fit Center 5815 is at -5.442549 3.255544 2.271883 ESP Fit Center 5816 is at -3.138217 4.539194 1.898448 ESP Fit Center 5817 is at -3.546290 4.625933 1.898448 ESP Fit Center 5818 is at -3.963480 4.625933 1.898448 ESP Fit Center 5819 is at -4.371553 4.539194 1.898448 ESP Fit Center 5820 is at -4.752675 4.369508 1.898448 ESP Fit Center 5821 is at -5.090188 4.124290 1.898448 ESP Fit Center 5822 is at -5.369343 3.814257 1.898448 ESP Fit Center 5823 is at -5.577938 3.452960 1.898448 ESP Fit Center 5824 is at -5.706856 3.056189 1.898448 ESP Fit Center 5825 is at -3.341587 4.719075 1.493247 ESP Fit Center 5826 is at -3.754885 4.759781 1.493247 ESP Fit Center 5827 is at -4.168183 4.719075 1.493247 ESP Fit Center 5828 is at 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ESP Fit Center 5847 is at -5.252888 4.139288 0.650457 ESP Fit Center 5848 is at -5.516350 3.818258 0.650457 ESP Fit Center 5849 is at -5.712120 3.451998 0.650457 ESP Fit Center 5850 is at -3.546290 4.625933 0.245255 ESP Fit Center 5851 is at -3.963480 4.625933 0.245255 ESP Fit Center 5852 is at -4.371553 4.539194 0.245255 ESP Fit Center 5853 is at -4.752675 4.369508 0.245255 ESP Fit Center 5854 is at -5.090188 4.124290 0.245255 ESP Fit Center 5855 is at -5.369343 3.814257 0.245255 ESP Fit Center 5856 is at -5.577938 3.452960 0.245255 ESP Fit Center 5857 is at -5.706856 3.056189 0.245255 ESP Fit Center 5858 is at -3.443017 4.409974 -0.128180 ESP Fit Center 5859 is at -3.859311 4.434221 -0.128180 ESP Fit Center 5860 is at -4.269976 4.361810 -0.128180 ESP Fit Center 5861 is at -4.652872 4.196644 -0.128180 ESP Fit Center 5862 is at -4.987357 3.947629 -0.128180 ESP Fit Center 5863 is at -5.255399 3.628189 -0.128180 ESP Fit Center 5864 is at -4.266363 4.080448 -0.455499 ESP Fit Center 5865 is at -4.635678 3.889085 -0.455499 ESP Fit Center 5866 is at -0.691196 -2.537030 1.054438 ESP Fit Center 5867 is at -0.428696 -2.214374 1.054438 ESP Fit Center 5868 is at -0.661213 -2.861380 0.727119 ESP Fit Center 5869 is at -0.735904 -3.149010 0.353684 ESP Fit Center 5870 is at -0.922981 -3.378023 -0.051517 ESP Fit Center 5871 is at -1.224455 -3.519900 -0.472913 ESP Fit Center 5872 is at -1.320396 -3.498577 -0.894308 ESP Fit Center 5873 is at -1.525099 -3.405435 -1.299509 ESP Fit Center 5874 is at -1.838121 -3.213723 -1.672944 ESP Fit Center 5875 is at -1.421826 -3.189477 -1.672944 ESP Fit Center 5876 is at -1.837924 -2.944578 -2.000263 ESP Fit Center 5877 is at -1.422945 -2.916192 -2.000263 ESP Fit Center 5878 is at -1.942077 -2.602588 -2.268887 ESP Fit Center 5879 is at -1.525311 -2.602588 -2.268887 ESP Fit Center 5880 is at -1.733694 -2.247384 -2.468492 ESP Fit Center 5881 is at -1.944392 -1.785726 -2.591409 ESP Fit Center 5882 is at -1.522997 -1.785726 -2.591409 ESP Fit Center 5883 is at 0.468688 0.549248 2.115127 ESP Fit Center 5884 is at 0.257501 0.915034 2.115127 ESP Fit Center 5885 is at 0.257501 0.183462 2.115127 ESP Fit Center 5886 is at 0.880661 0.549248 2.016222 ESP Fit Center 5887 is at 0.046315 -0.285098 2.016222 ESP Fit Center 5888 is at 0.463488 -0.173317 2.016222 ESP Fit Center 5889 is at 0.768880 0.132075 2.016222 ESP Fit Center 5890 is at 0.259168 -0.657904 1.854087 ESP Fit Center 5891 is at 0.659202 -0.512304 1.854087 ESP Fit Center 5892 is at 0.985312 -0.238665 1.854087 ESP Fit Center 5893 is at 1.198166 0.130008 1.854087 ESP Fit Center 5894 is at 0.046315 -1.037772 1.632715 ESP Fit Center 5895 is at 1.420715 -0.244262 1.632715 ESP Fit Center 5896 is at 1.579259 0.138497 1.632715 ESP Fit Center 5897 is at -1.144045 2.041911 -2.460819 ESP Fit Center 5898 is at -0.747195 1.923648 -2.735977 ESP Fit Center 5899 is at -1.075878 1.671440 -2.735977 ESP Fit Center 5900 is at -1.328085 1.342758 -2.735977 ESP Fit Center 5901 is at -0.566572 1.610799 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5973 is at -2.909481 -2.371755 -3.682408 ESP Fit Center 5974 is at -3.210546 -1.961320 -3.882014 ESP Fit Center 5975 is at -3.321289 -1.548022 -3.882014 ESP Fit Center 5976 is at -3.623844 -1.245466 -3.882014 ESP Fit Center 5977 is at -4.037142 -1.134724 -3.882014 ESP Fit Center 5978 is at -4.450440 -1.245466 -3.882014 ESP Fit Center 5979 is at -4.752995 -1.548022 -3.882014 ESP Fit Center 5980 is at -4.863738 -1.961320 -3.882014 ESP Fit Center 5981 is at -4.752995 -2.374618 -3.882014 ESP Fit Center 5982 is at -4.450440 -2.677173 -3.882014 ESP Fit Center 5983 is at -4.037142 -2.787916 -3.882014 ESP Fit Center 5984 is at -3.623844 -2.677173 -3.882014 ESP Fit Center 5985 is at -3.321289 -2.374618 -3.882014 ESP Fit Center 5986 is at -3.615747 -1.961320 -4.004930 ESP Fit Center 5987 is at -3.826444 -1.596381 -4.004930 ESP Fit Center 5988 is at -4.247839 -1.596381 -4.004930 ESP Fit Center 5989 is at -4.458537 -1.961320 -4.004930 ESP Fit Center 5990 is at -4.247839 -2.326259 -4.004930 ESP Fit Center 5991 is at -3.826444 -2.326259 -4.004930 ESP Fit Center 5992 is at -4.037142 -1.961320 -4.046434 ESP Fit Center 5993 is at -4.175681 -3.915345 2.737030 ESP Fit Center 5994 is at -4.791580 -3.550406 2.614113 ESP Fit Center 5995 is at -4.680837 -3.963704 2.614113 ESP Fit Center 5996 is at -4.378282 -4.266259 2.614113 ESP Fit Center 5997 is at -3.964983 -4.377002 2.614113 ESP Fit Center 5998 is at -3.551685 -4.266259 2.614113 ESP Fit Center 5999 is at -5.165015 -3.550406 2.414508 ESP Fit Center 6000 is at -5.092644 -3.960841 2.414508 ESP Fit Center 6001 is at -4.884261 -4.321771 2.414508 ESP Fit Center 6002 is at -4.564999 -4.589664 2.414508 ESP Fit Center 6003 is at -4.173367 -4.732206 2.414508 ESP Fit Center 6004 is at -3.756600 -4.732206 2.414508 ESP Fit Center 6005 is at -3.364968 -4.589664 2.414508 ESP Fit Center 6006 is at -5.478108 -3.342432 2.145884 ESP Fit Center 6007 is at -5.478108 -3.758380 2.145884 ESP Fit Center 6008 is at -5.365887 -4.158904 2.145884 ESP Fit Center 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1.565587 ESP Fit Center 6100 is at -0.091526 -1.149985 1.565587 ESP Fit Center 6101 is at 0.213866 -1.455377 1.565587 ESP Fit Center 6102 is at 0.631039 -1.567158 1.565587 ESP Fit Center 6103 is at 1.048211 -1.455377 1.565587 ESP Fit Center 6104 is at 1.353603 -1.149985 1.565587 ESP Fit Center 6105 is at 1.856813 -0.732812 1.403452 ESP Fit Center 6106 is at 1.782890 -0.313572 1.403452 ESP Fit Center 6107 is at 0.018151 -1.794364 1.403452 ESP Fit Center 6108 is at 0.418185 -1.939964 1.403452 ESP Fit Center 6109 is at 0.843892 -1.939964 1.403452 ESP Fit Center 6110 is at 1.243926 -1.794364 1.403452 ESP Fit Center 6111 is at 1.570036 -1.520725 1.403452 ESP Fit Center 6112 is at 1.782890 -1.152051 1.403452 ESP Fit Center 6113 is at -0.162472 -2.107212 1.182081 ESP Fit Center 6114 is at 0.220287 -2.265756 1.182081 ESP Fit Center 6115 is at 0.631039 -2.319832 1.182081 ESP Fit Center 6116 is at 1.041790 -2.265756 1.182081 ESP Fit Center 6117 is at 1.424549 -2.107212 1.182081 ESP Fit Center 6118 is at 1.753231 -1.855005 1.182081 ESP Fit Center 6119 is at 0.206204 -2.594133 0.906923 ESP Fit Center 6120 is at 0.631039 -2.642000 0.906923 ESP Fit Center 6121 is at 1.055873 -2.594133 0.906923 ESP Fit Center 6122 is at 1.459404 -2.452931 0.906923 ESP Fit Center 6123 is at 1.821398 -2.225475 0.906923 ESP Fit Center 6124 is at 0.734974 -2.914684 0.584755 ESP Fit Center 6125 is at 1.146018 -2.855585 0.584755 ESP Fit Center 6126 is at 1.538449 -2.719763 0.584755 ESP Fit Center 6127 is at 1.048787 -3.101981 0.223509 ESP Fit Center 6128 is at 1.453842 -2.993447 0.223509 ESP Fit Center 6129 is at 1.261409 -3.222089 -0.167919 ESP Fit Center 6130 is at -1.230282 -0.307978 -2.911454 ESP Fit Center 6131 is at -1.278150 -0.732812 -2.911454 ESP Fit Center 6132 is at -1.230282 -1.157646 -2.911454 ESP Fit Center 6133 is at -1.089081 -1.561178 -2.911454 ESP Fit Center 6134 is at 0.631039 -2.642000 -2.911454 ESP Fit Center 6135 is at 0.631039 0.854208 -3.186611 ESP Fit Center 6136 is at 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0.196302 ESP Fit Center 6173 is at 2.005873 -2.979704 0.196302 ESP Fit Center 6174 is at 2.416917 -2.920605 0.196302 ESP Fit Center 6175 is at 2.809348 -2.784783 0.196302 ESP Fit Center 6176 is at 1.484190 -3.167001 -0.164944 ESP Fit Center 6177 is at 1.901938 -3.203550 -0.164944 ESP Fit Center 6178 is at 0.809765 -2.689531 -2.977738 ESP Fit Center 6179 is at 0.711579 0.694831 -3.299906 ESP Fit Center 6180 is at 0.711579 -2.290496 -3.299906 ESP Fit Center 6181 is at 1.073572 -2.517951 -3.299906 ESP Fit Center 6182 is at 1.108428 0.576568 -3.575064 ESP Fit Center 6183 is at 0.779745 0.324361 -3.575064 ESP Fit Center 6184 is at 0.527538 -1.591342 -3.575064 ESP Fit Center 6185 is at 0.779745 -1.920025 -3.575064 ESP Fit Center 6186 is at 1.108428 -2.172232 -3.575064 ESP Fit Center 6187 is at 1.289051 0.263720 -3.796436 ESP Fit Center 6188 is at 0.962940 -0.009920 -3.796436 ESP Fit Center 6189 is at 0.750087 -0.378593 -3.796436 ESP Fit Center 6190 is at 0.676164 -0.797832 -3.796436 ESP Fit Center 6191 is at 0.750087 -1.217072 -3.796436 ESP Fit Center 6192 is at 0.962940 -1.585745 -3.796436 ESP Fit Center 6193 is at 1.289051 -1.859384 -3.796436 ESP Fit Center 6194 is at 1.689085 -2.004984 -3.796436 ESP Fit Center 6195 is at 1.901938 0.036514 -3.958571 ESP Fit Center 6196 is at 1.484765 -0.075267 -3.958571 ESP Fit Center 6197 is at 1.179373 -0.380659 -3.958571 ESP Fit Center 6198 is at 1.067592 -0.797832 -3.958571 ESP Fit Center 6199 is at 1.179373 -1.215005 -3.958571 ESP Fit Center 6200 is at 1.484765 -1.520397 -3.958571 ESP Fit Center 6201 is at 1.901938 -1.632178 -3.958571 ESP Fit Center 6202 is at 2.319111 -1.520397 -3.958571 ESP Fit Center 6203 is at 2.624503 -1.215005 -3.958571 ESP Fit Center 6204 is at 2.324311 -0.797832 -4.057477 ESP Fit Center 6205 is at 2.113125 -0.432046 -4.057477 ESP Fit Center 6206 is at 1.690752 -0.432046 -4.057477 ESP Fit Center 6207 is at 1.479565 -0.797832 -4.057477 ESP Fit Center 6208 is at 1.690752 -1.163618 -4.057477 ESP Fit Center 6209 is at 2.113125 -1.163618 -4.057477 ESP Fit Center 6210 is at 1.901938 -0.797832 -4.090718 ESP Fit Center 6211 is at 1.363169 1.194874 -3.561038 ESP Fit Center 6212 is at 1.204625 0.812115 -3.561038 ESP Fit Center 6213 is at 2.524715 1.608516 -3.782410 ESP Fit Center 6214 is at 2.124681 1.462915 -3.782410 ESP Fit Center 6215 is at 1.798571 1.189276 -3.782410 ESP Fit Center 6216 is at 1.585717 0.820603 -3.782410 ESP Fit Center 6217 is at 1.511794 0.401364 -3.782410 ESP Fit Center 6218 is at 2.737568 1.235709 -3.944545 ESP Fit Center 6219 is at 2.320395 1.123928 -3.944545 ESP Fit Center 6220 is at 2.015004 0.818537 -3.944545 ESP Fit Center 6221 is at 1.903222 0.401364 -3.944545 ESP Fit Center 6222 is at 2.526382 0.767149 -4.043451 ESP Fit Center 6223 is at 2.315195 0.401364 -4.043451 ESP Fit Center 6224 is at 2.643860 1.562041 1.687742 ESP Fit Center 6225 is at 2.432673 1.927826 1.687742 ESP Fit Center 6226 is at 2.432673 1.196255 1.687742 ESP Fit Center 6227 is at 2.944051 1.979214 1.588836 ESP Fit Center 6228 is at 2.638660 2.284605 1.588836 ESP Fit Center 6229 is at 3.373338 1.981280 1.426701 ESP Fit Center 6230 is at 3.160484 2.349953 1.426701 ESP Fit Center 6231 is at 2.834374 2.623592 1.426701 ESP Fit Center 6232 is at 2.434340 2.769193 1.426701 ESP Fit Center 6233 is at 3.595886 2.355551 1.205330 ESP Fit Center 6234 is at 3.343679 2.684233 1.205330 ESP Fit Center 6235 is at 3.014997 2.936440 1.205330 ESP Fit Center 6236 is at 2.632238 3.094984 1.205330 ESP Fit Center 6237 is at 2.221487 3.149061 1.205330 ESP Fit Center 6238 is at 3.941606 2.390406 0.930172 ESP Fit Center 6239 is at 2.221487 3.471229 0.930172 ESP Fit Center 6240 is at 1.591116 4.051318 -1.813362 ESP Fit Center 6241 is at 1.803738 3.931210 -2.204791 ESP Fit Center 6242 is at 1.398683 3.822676 -2.204791 ESP Fit Center 6243 is at 1.910622 3.724153 -2.566036 ESP Fit Center 6244 is at 1.507057 3.626249 -2.566036 ESP Fit Center 6245 is at 1.129314 3.453740 -2.566036 ESP Fit Center 6246 is at 2.221487 3.471229 -2.888205 ESP Fit Center 6247 is at 1.796652 3.423362 -2.888205 ESP Fit Center 6248 is at 1.393121 3.282160 -2.888205 ESP Fit Center 6249 is at 1.031127 3.054704 -2.888205 ESP Fit Center 6250 is at 3.343679 2.684233 -3.163362 ESP Fit Center 6251 is at 3.014997 2.936440 -3.163362 ESP Fit Center 6252 is at 2.632238 3.094984 -3.163362 ESP Fit Center 6253 is at 2.221487 3.149061 -3.163362 ESP Fit Center 6254 is at 1.810736 3.094984 -3.163362 ESP Fit Center 6255 is at 1.427977 2.936440 -3.163362 ESP Fit Center 6256 is at 1.099294 2.684233 -3.163362 ESP Fit Center 6257 is at 0.847087 2.355551 -3.163362 ESP Fit Center 6258 is at 3.160484 2.349953 -3.384734 ESP Fit Center 6259 is at 2.834374 2.623592 -3.384734 ESP Fit Center 6260 is at 2.434340 2.769193 -3.384734 ESP Fit Center 6261 is at 2.008633 2.769193 -3.384734 ESP Fit Center 6262 is at 1.608599 2.623592 -3.384734 ESP Fit Center 6263 is at 1.282489 2.349953 -3.384734 ESP Fit Center 6264 is at 1.069636 1.981280 -3.384734 ESP Fit Center 6265 is at 0.995712 1.562041 -3.384734 ESP Fit Center 6266 is at 1.069636 1.142801 -3.384734 ESP Fit Center 6267 is at 2.638660 2.284605 -3.546869 ESP Fit Center 6268 is at 2.221487 2.396387 -3.546869 ESP Fit Center 6269 is at 1.804314 2.284605 -3.546869 ESP Fit Center 6270 is at 1.498922 1.979214 -3.546869 ESP Fit Center 6271 is at 1.387141 1.562041 -3.546869 ESP Fit Center 6272 is at 2.432673 1.927826 -3.645775 ESP Fit Center 6273 is at 2.010300 1.927826 -3.645775 ESP Fit Center 6274 is at 1.799114 1.562041 -3.645775 ESP Fit Center 6275 is at 0.822211 1.640078 2.153301 ESP Fit Center 6276 is at 1.244584 1.640078 2.120059 ESP Fit Center 6277 is at 1.033397 2.005864 2.120059 ESP Fit Center 6278 is at 0.611024 2.005864 2.120059 ESP Fit Center 6279 is at 0.399838 1.640078 2.120059 ESP Fit Center 6280 is at 0.611024 1.274292 2.120059 ESP Fit Center 6281 is at 1.033397 1.274292 2.120059 ESP Fit Center 6282 is at 1.656557 1.640078 2.021154 ESP Fit Center 6283 is at 1.544775 2.057251 2.021154 ESP Fit Center 6284 is at 1.239384 2.362643 2.021154 ESP Fit Center 6285 is at 0.822211 2.474424 2.021154 ESP Fit Center 6286 is at 1.239384 0.917513 2.021154 ESP Fit Center 6287 is at 1.544775 1.222905 2.021154 ESP Fit Center 6288 is at 2.047985 1.640078 1.859019 ESP Fit Center 6289 is at 1.974062 2.059317 1.859019 ESP Fit Center 6290 is at 1.761208 2.427990 1.859019 ESP Fit Center 6291 is at 1.435098 2.701629 1.859019 ESP Fit Center 6292 is at 1.035064 2.847230 1.859019 ESP Fit Center 6293 is at 1.435098 0.578526 1.859019 ESP Fit Center 6294 is at 1.761208 0.852165 1.859019 ESP Fit Center 6295 is at 1.974062 1.220838 1.859019 ESP Fit Center 6296 is at 2.196611 2.433588 1.637647 ESP Fit Center 6297 is at 1.944403 2.762271 1.637647 ESP Fit Center 6298 is at 1.615721 3.014478 1.637647 ESP Fit Center 6299 is at 1.615721 0.265678 1.637647 ESP Fit Center 6300 is at 1.944403 0.517885 1.637647 ESP Fit Center 6301 is at 2.196611 0.846568 1.637647 ESP Fit Center 6302 is at 2.012570 3.132741 1.362489 ESP Fit Center 6303 is at 2.089256 3.419393 1.040321 ESP Fit Center 6304 is at 2.025070 3.723490 0.679075 ESP Fit Center 6305 is at 1.452581 4.129355 -1.381045 ESP Fit Center 6306 is at 1.239959 4.009247 -1.772473 ESP Fit Center 6307 is at 0.822211 4.045795 -1.772473 ESP Fit Center 6308 is at 0.926146 3.821950 -2.133719 ESP Fit Center 6309 is at 0.511346 3.802190 -2.133719 ESP Fit Center 6310 is at 0.107781 3.704286 -2.133719 ESP Fit Center 6311 is at -0.269962 3.531777 -2.133719 ESP Fit Center 6312 is at -0.608232 3.290896 -2.133719 ESP Fit Center 6313 is at -0.894801 2.990351 -2.133719 ESP Fit Center 6314 is at -1.119313 2.641003 -2.133719 ESP Fit Center 6315 is at 0.822211 3.549266 -2.455887 ESP Fit Center 6316 is at 0.397376 3.501399 -2.455887 ESP Fit Center 6317 is at -0.006155 3.360197 -2.455887 ESP Fit Center 6318 is at -0.368149 3.132741 -2.455887 ESP Fit Center 6319 is at -0.670453 2.830437 -2.455887 ESP Fit Center 6320 is at -0.897909 2.468444 -2.455887 ESP Fit Center 6321 is at 0.822211 3.227098 -2.731045 ESP Fit Center 6322 is at 0.411460 3.173022 -2.731045 ESP Fit Center 6323 is at 0.028701 3.014478 -2.731045 ESP Fit Center 6324 is at -0.299982 2.762271 -2.731045 ESP Fit Center 6325 is at -0.552189 2.433588 -2.731045 ESP Fit Center 6326 is at -0.710733 2.050829 -2.731045 ESP Fit Center 6327 is at 0.609357 2.847230 -2.952417 ESP Fit Center 6328 is at 0.209324 2.701629 -2.952417 ESP Fit Center 6329 is at -0.116787 2.427990 -2.952417 ESP Fit Center 6330 is at -0.329640 2.059317 -2.952417 ESP Fit Center 6331 is at 0.822211 2.474424 -3.114552 ESP Fit Center 6332 is at 0.405038 2.362643 -3.114552 ESP Fit Center 6333 is at 0.099646 2.057251 -3.114552 ESP Fit Center 6334 is at -0.012135 1.640078 -3.114552 ESP Fit Center 6335 is at 0.611024 2.005864 -3.213458 ESP Fit Center 6336 is at 0.399838 1.640078 -3.213458 ESP Fit Center 6337 is at 0.611024 1.274292 -3.213458 ESP Fit Center 6338 is at -0.374090 -2.325177 0.977962 ESP Fit Center 6339 is at -0.169175 -2.791125 0.778357 ESP Fit Center 6340 is at 0.247592 -2.791125 0.778357 ESP Fit Center 6341 is at -0.472270 -3.048487 0.509733 ESP Fit Center 6342 is at -0.065022 -3.133114 0.509733 ESP Fit Center 6343 is at 0.349957 -3.104729 0.509733 ESP Fit Center 6344 is at -0.475883 -3.329849 0.182414 ESP Fit Center 6345 is at -0.065218 -3.402260 0.182414 ESP Fit Center 6346 is at 0.351076 -3.378013 0.182414 ESP Fit Center 6347 is at 0.750557 -3.258417 0.182414 ESP Fit Center 6348 is at -0.577460 -3.507233 -0.191022 ESP Fit Center 6349 is at -0.169386 -3.593972 -0.191022 ESP Fit Center 6350 is at 0.247803 -3.593972 -0.191022 ESP Fit Center 6351 is at 0.655876 -3.507233 -0.191022 ESP Fit Center 6352 is at 1.036998 -3.337547 -0.191022 ESP Fit Center 6353 is at -0.771505 -3.566559 -0.596223 ESP Fit Center 6354 is at -0.374090 -3.687114 -0.596223 ESP Fit Center 6355 is at 0.039208 -3.727820 -0.596223 ESP Fit Center 6356 is at 0.452506 -3.687114 -0.596223 ESP Fit Center 6357 is at 0.849922 -3.566559 -0.596223 ESP Fit Center 6358 is at 1.216182 -3.370789 -0.596223 ESP Fit Center 6359 is at -1.040792 -3.479939 -1.017618 ESP Fit Center 6360 is at -0.667258 -3.650526 -1.017618 ESP Fit Center 6361 is at -0.268192 -3.747338 -1.017618 ESP Fit Center 6362 is at 0.141985 -3.766877 -1.017618 ESP Fit Center 6363 is at 0.548448 -3.708437 -1.017618 ESP Fit Center 6364 is at 0.936505 -3.574129 -1.017618 ESP Fit Center 6365 is at -1.137765 -3.370789 -1.439013 ESP Fit Center 6366 is at -0.771505 -3.566559 -1.439013 ESP Fit Center 6367 is at -0.374090 -3.687114 -1.439013 ESP Fit Center 6368 is at 0.039208 -3.727820 -1.439013 ESP Fit Center 6369 is at 0.452506 -3.687114 -1.439013 ESP Fit Center 6370 is at 0.849922 -3.566559 -1.439013 ESP Fit Center 6371 is at -1.296095 -3.092329 -1.844214 ESP Fit Center 6372 is at -0.958582 -3.337547 -1.844214 ESP Fit Center 6373 is at -0.577460 -3.507233 -1.844214 ESP Fit Center 6374 is at -0.169386 -3.593972 -1.844214 ESP Fit Center 6375 is at 0.247803 -3.593972 -1.844214 ESP Fit Center 6376 is at 0.655876 -3.507233 -1.844214 ESP Fit Center 6377 is at -1.193264 -2.915668 -2.217649 ESP Fit Center 6378 is at -0.858779 -3.164683 -2.217649 ESP Fit Center 6379 is at -0.475883 -3.329849 -2.217649 ESP Fit Center 6380 is at -0.065218 -3.402260 -2.217649 ESP Fit Center 6381 is at 0.351076 -3.378013 -2.217649 ESP Fit Center 6382 is at 0.750557 -3.258417 -2.217649 ESP Fit Center 6383 is at -1.361695 -2.217822 -2.544968 ESP Fit Center 6384 is at -1.145575 -2.573217 -2.544968 ESP Fit Center 6385 is at -0.841585 -2.857124 -2.544968 ESP Fit Center 6386 is at -0.472270 -3.048487 -2.544968 ESP Fit Center 6387 is at -0.065022 -3.133114 -2.544968 ESP Fit Center 6388 is at 0.349957 -3.104729 -2.544968 ESP Fit Center 6389 is at 0.741889 -2.965436 -2.544968 ESP Fit Center 6390 is at -1.088453 -2.019759 -2.813592 ESP Fit Center 6391 is at -0.880069 -2.380690 -2.813592 ESP Fit Center 6392 is at -0.560807 -2.648582 -2.813592 ESP Fit Center 6393 is at -0.169175 -2.791125 -2.813592 ESP Fit Center 6394 is at 0.247592 -2.791125 -2.813592 ESP Fit Center 6395 is at -0.676645 -2.022622 -3.013198 ESP Fit Center 6396 is at -0.374090 -2.325177 -3.013198 ESP Fit Center 6397 is at 0.039208 -2.435920 -3.013198 ESP Fit Center 6398 is at 2.205588 -3.248175 -0.186886 ESP Fit Center 6399 is at 2.620567 -3.219790 -0.186886 ESP Fit Center 6400 is at 3.012499 -3.080497 -0.186886 ESP Fit Center 6401 is at 1.794727 -3.444910 -0.514205 ESP Fit Center 6402 is at 2.205392 -3.517321 -0.514205 ESP Fit Center 6403 is at 2.621686 -3.493075 -0.514205 ESP Fit Center 6404 is at 3.021167 -3.373478 -0.514205 ESP Fit Center 6405 is at 1.312028 -3.452608 -0.887640 ESP Fit Center 6406 is at 1.693150 -3.622294 -0.887640 ESP Fit Center 6407 is at 2.101223 -3.709033 -0.887640 ESP Fit Center 6408 is at 2.518413 -3.709033 -0.887640 ESP Fit Center 6409 is at 2.926486 -3.622294 -0.887640 ESP Fit Center 6410 is at 3.307608 -3.452608 -0.887640 ESP Fit Center 6411 is at 1.132845 -3.485850 -1.292841 ESP Fit Center 6412 is at 1.499105 -3.681621 -1.292841 ESP Fit Center 6413 is at 1.896520 -3.802175 -1.292841 ESP Fit Center 6414 is at 2.309818 -3.842881 -1.292841 ESP Fit Center 6415 is at 2.723116 -3.802175 -1.292841 ESP Fit Center 6416 is at 3.120532 -3.681621 -1.292841 ESP Fit Center 6417 is at 1.229818 -3.595000 -1.714236 ESP Fit Center 6418 is at 1.603352 -3.765587 -1.714236 ESP Fit Center 6419 is at 2.002418 -3.862400 -1.714236 ESP Fit Center 6420 is at 2.412595 -3.881939 -1.714236 ESP Fit Center 6421 is at 2.819058 -3.823498 -1.714236 ESP Fit Center 6422 is at 3.207115 -3.689190 -1.714236 ESP Fit Center 6423 is at 3.562741 -3.483869 -1.714236 ESP Fit Center 6424 is at 1.132845 -3.485850 -2.135631 ESP Fit Center 6425 is at 1.499105 -3.681621 -2.135631 ESP Fit Center 6426 is at 1.896520 -3.802175 -2.135631 ESP Fit Center 6427 is at 2.309818 -3.842881 -2.135631 ESP Fit Center 6428 is at 2.723116 -3.802175 -2.135631 ESP Fit Center 6429 is at 3.120532 -3.681621 -2.135631 ESP Fit Center 6430 is at 3.486792 -3.485850 -2.135631 ESP Fit Center 6431 is at 0.974515 -3.207390 -2.540833 ESP Fit Center 6432 is at 1.312028 -3.452608 -2.540833 ESP Fit Center 6433 is at 1.693150 -3.622294 -2.540833 ESP Fit Center 6434 is at 2.101223 -3.709033 -2.540833 ESP Fit Center 6435 is at 2.518413 -3.709033 -2.540833 ESP Fit Center 6436 is at 2.926486 -3.622294 -2.540833 ESP Fit Center 6437 is at 3.307608 -3.452608 -2.540833 ESP Fit Center 6438 is at 3.645122 -3.207390 -2.540833 ESP Fit Center 6439 is at 1.077346 -3.030730 -2.914268 ESP Fit Center 6440 is at 1.411831 -3.279745 -2.914268 ESP Fit Center 6441 is at 1.794727 -3.444910 -2.914268 ESP Fit Center 6442 is at 2.205392 -3.517321 -2.914268 ESP Fit Center 6443 is at 2.621686 -3.493075 -2.914268 ESP Fit Center 6444 is at 3.021167 -3.373478 -2.914268 ESP Fit Center 6445 is at 3.382300 -3.164978 -2.914268 ESP Fit Center 6446 is at 3.685614 -2.878815 -2.914268 ESP Fit Center 6447 is at 3.914760 -2.530417 -2.914268 ESP Fit Center 6448 is at 1.125035 -2.688278 -3.241587 ESP Fit Center 6449 is at 1.429025 -2.972185 -3.241587 ESP Fit Center 6450 is at 1.798340 -3.163548 -3.241587 ESP Fit Center 6451 is at 2.205588 -3.248175 -3.241587 ESP Fit Center 6452 is at 2.620567 -3.219790 -3.241587 ESP Fit Center 6453 is at 3.012499 -3.080497 -3.241587 ESP Fit Center 6454 is at 3.352316 -2.840628 -3.241587 ESP Fit Center 6455 is at 3.614816 -2.517972 -3.241587 ESP Fit Center 6456 is at 1.390541 -2.495751 -3.510211 ESP Fit Center 6457 is at 1.709802 -2.763643 -3.510211 ESP Fit Center 6458 is at 2.101435 -2.906186 -3.510211 ESP Fit Center 6459 is at 2.518202 -2.906186 -3.510211 ESP Fit Center 6460 is at 2.909834 -2.763643 -3.510211 ESP Fit Center 6461 is at 3.229096 -2.495751 -3.510211 ESP Fit Center 6462 is at 3.437479 -2.134820 -3.510211 ESP Fit Center 6463 is at 1.896520 -2.440239 -3.709816 ESP Fit Center 6464 is at 2.309818 -2.550981 -3.709816 ESP Fit Center 6465 is at 2.723116 -2.440239 -3.709816 ESP Fit Center 6466 is at 3.025672 -2.137683 -3.709816 ESP Fit Center 6467 is at 2.731213 -1.724385 -3.832733 ESP Fit Center 6468 is at 2.099121 -2.089324 -3.832733 ESP Fit Center 6469 is at 2.520516 -2.089324 -3.832733 ESP Fit Center 6470 is at 6.547448 0.748696 -3.054460 ESP Fit Center 6471 is at 6.438913 1.153752 -3.054460 ESP Fit Center 6472 is at 6.362624 0.330948 -3.415706 ESP Fit Center 6473 is at 6.323150 0.744338 -3.415706 ESP Fit Center 6474 is at 6.206155 1.142787 -3.415706 ESP Fit Center 6475 is at 3.463849 2.395156 -3.415706 ESP Fit Center 6476 is at 6.323150 -0.082442 -3.415706 ESP Fit Center 6477 is at 6.039599 0.755782 -3.737874 ESP Fit Center 6478 is at 5.898397 1.159314 -3.737874 ESP Fit Center 6479 is at 5.670942 1.521307 -3.737874 ESP Fit Center 6480 is at 4.178278 2.240136 -3.737874 ESP Fit Center 6481 is at 3.753444 2.192269 -3.737874 ESP Fit Center 6482 is at 3.349912 2.051067 -3.737874 ESP Fit Center 6483 is at 2.987919 1.823611 -3.737874 ESP Fit Center 6484 is at 5.300471 1.453141 -4.013032 ESP Fit Center 6485 is at 4.971788 1.705348 -4.013032 ESP Fit Center 6486 is at 4.589029 1.863892 -4.013032 ESP Fit Center 6487 is at 4.178278 1.917968 -4.013032 ESP Fit Center 6488 is at 3.767527 1.863892 -4.013032 ESP Fit Center 6489 is at 3.384768 1.705348 -4.013032 ESP Fit Center 6490 is at 3.056085 1.453141 -4.013032 ESP Fit Center 6491 is at 2.803878 1.124458 -4.013032 ESP Fit Center 6492 is at 3.544943 2.850481 1.020283 ESP Fit Center 6493 is at 3.242388 3.153037 1.020283 ESP Fit Center 6494 is at 3.956751 2.847618 0.820677 ESP Fit Center 6495 is at 3.748367 3.208549 0.820677 ESP Fit Center 6496 is at 3.429106 3.476441 0.820677 ESP Fit Center 6497 is at 3.037473 3.618984 0.820677 ESP Fit Center 6498 is at 2.620706 3.618984 0.820677 ESP Fit Center 6499 is at 4.299802 2.849257 0.552054 ESP Fit Center 6500 is at 4.134088 3.230770 0.552054 ESP Fit Center 6501 is at 3.871588 3.553426 0.552054 ESP Fit Center 6502 is at 3.531770 3.793295 0.552054 ESP Fit Center 6503 is at 3.139838 3.932588 0.552054 ESP Fit Center 6504 is at 2.724860 3.960973 0.552054 ESP Fit Center 6505 is at 2.317611 3.876346 0.552054 ESP Fit Center 6506 is at 4.576653 2.851363 0.224735 ESP Fit Center 6507 is at 4.434031 3.243215 0.224735 ESP Fit Center 6508 is at 4.204886 3.591613 0.224735 ESP Fit Center 6509 is at 3.901571 3.877776 0.224735 ESP Fit Center 6510 is at 3.540439 4.086276 0.224735 ESP Fit Center 6511 is at 3.140957 4.205873 0.224735 ESP Fit Center 6512 is at 2.724663 4.230119 0.224735 ESP Fit Center 6513 is at 2.313999 4.157708 0.224735 ESP Fit Center 6514 is at 4.781061 2.852088 -0.148701 ESP Fit Center 6515 is at 4.652143 3.248859 -0.148701 ESP Fit Center 6516 is at 4.443548 3.610156 -0.148701 ESP Fit Center 6517 is at 4.164393 3.920188 -0.148701 ESP Fit Center 6518 is at 3.826880 4.165406 -0.148701 ESP Fit Center 6519 is at 3.445758 4.335092 -0.148701 ESP Fit Center 6520 is at 3.037685 4.421831 -0.148701 ESP Fit Center 6521 is at 2.620495 4.421831 -0.148701 ESP Fit Center 6522 is at 2.212422 4.335092 -0.148701 ESP Fit Center 6523 is at 4.786325 3.247897 -0.553902 ESP Fit Center 6524 is at 4.590555 3.614157 -0.553902 ESP Fit Center 6525 is at 4.327093 3.935186 -0.553902 ESP Fit Center 6526 is at 4.006063 4.198648 -0.553902 ESP Fit Center 6527 is at 3.639803 4.394419 -0.553902 ESP Fit Center 6528 is at 3.242388 4.514973 -0.553902 ESP Fit Center 6529 is at 2.829090 4.555679 -0.553902 ESP Fit Center 6530 is at 2.415792 4.514973 -0.553902 ESP Fit Center 6531 is at 2.018376 4.394419 -0.553902 ESP Fit Center 6532 is at 4.646197 3.604967 -0.975297 ESP Fit Center 6533 is at 4.392355 3.927754 -0.975297 ESP Fit Center 6534 is at 4.082013 4.196667 -0.975297 ESP Fit Center 6535 is at 3.726386 4.401988 -0.975297 ESP Fit Center 6536 is at 3.338329 4.536296 -0.975297 ESP Fit Center 6537 is at 2.931867 4.594737 -0.975297 ESP Fit Center 6538 is at 2.521690 4.575198 -0.975297 ESP Fit Center 6539 is at 2.122623 4.478385 -0.975297 ESP Fit Center 6540 is at 1.749090 4.307798 -0.975297 ESP Fit Center 6541 is at 4.590555 3.614157 -1.396692 ESP Fit Center 6542 is at 4.327093 3.935186 -1.396692 ESP Fit Center 6543 is at 4.006063 4.198648 -1.396692 ESP Fit Center 6544 is at 3.639803 4.394419 -1.396692 ESP Fit Center 6545 is at 3.242388 4.514973 -1.396692 ESP Fit Center 6546 is at 2.829090 4.555679 -1.396692 ESP Fit Center 6547 is at 2.415792 4.514973 -1.396692 ESP Fit Center 6548 is at 2.018376 4.394419 -1.396692 ESP Fit Center 6549 is at 1.652116 4.198648 -1.396692 ESP Fit Center 6550 is at 4.443548 3.610156 -1.801893 ESP Fit Center 6551 is at 4.164393 3.920188 -1.801893 ESP Fit Center 6552 is at 3.826880 4.165406 -1.801893 ESP Fit Center 6553 is at 3.445758 4.335092 -1.801893 ESP Fit Center 6554 is at 3.037685 4.421831 -1.801893 ESP Fit Center 6555 is at 2.620495 4.421831 -1.801893 ESP Fit Center 6556 is at 2.212422 4.335092 -1.801893 ESP Fit Center 6557 is at 1.831300 4.165406 -1.801893 ESP Fit Center 6558 is at 4.204886 3.591613 -2.175329 ESP Fit Center 6559 is at 3.901571 3.877776 -2.175329 ESP Fit Center 6560 is at 3.540439 4.086276 -2.175329 ESP Fit Center 6561 is at 3.140957 4.205873 -2.175329 ESP Fit Center 6562 is at 2.724663 4.230119 -2.175329 ESP Fit Center 6563 is at 2.313999 4.157708 -2.175329 ESP Fit Center 6564 is at 1.931103 3.992543 -2.175329 ESP Fit Center 6565 is at 3.871588 3.553426 -2.502648 ESP Fit Center 6566 is at 3.531770 3.793295 -2.502648 ESP Fit Center 6567 is at 3.139838 3.932588 -2.502648 ESP Fit Center 6568 is at 2.724860 3.960973 -2.502648 ESP Fit Center 6569 is at 2.317611 3.876346 -2.502648 ESP Fit Center 6570 is at 3.748367 3.208549 -2.771271 ESP Fit Center 6571 is at 3.429106 3.476441 -2.771271 ESP Fit Center 6572 is at 3.037473 3.618984 -2.771271 ESP Fit Center 6573 is at 2.620706 3.618984 -2.771271 ESP Fit Center 6574 is at 3.544943 2.850481 -2.970877 ESP Fit Center 6575 is at 3.242388 3.153037 -2.970877 ESP Fit Center 6576 is at 0.642463 2.936299 1.886851 ESP Fit Center 6577 is at 0.845064 3.287213 1.763935 ESP Fit Center 6578 is at 1.351043 3.342726 1.564329 ESP Fit Center 6579 is at 1.031782 3.610618 1.564329 ESP Fit Center 6580 is at 1.474264 3.687603 1.295705 ESP Fit Center 6581 is at 1.134446 3.927472 1.295705 ESP Fit Center 6582 is at 0.742514 4.066765 1.295705 ESP Fit Center 6583 is at 1.807562 3.725790 0.968387 ESP Fit Center 6584 is at 1.504247 4.011953 0.968387 ESP Fit Center 6585 is at 1.143115 4.220453 0.968387 ESP Fit Center 6586 is at 0.743633 4.340050 0.968387 ESP Fit Center 6587 is at 1.767069 4.054365 0.594951 ESP Fit Center 6588 is at 1.429556 4.299583 0.594951 ESP Fit Center 6589 is at 1.048434 4.469269 0.594951 ESP Fit Center 6590 is at 0.640361 4.556008 0.594951 ESP Fit Center 6591 is at 1.929769 4.069363 0.189750 ESP Fit Center 6592 is at 1.608739 4.332825 0.189750 ESP Fit Center 6593 is at 1.242479 4.528595 0.189750 ESP Fit Center 6594 is at 0.845064 4.649150 0.189750 ESP Fit Center 6595 is at 0.431766 4.689856 0.189750 ESP Fit Center 6596 is at 1.684689 4.330844 -0.231645 ESP Fit Center 6597 is at 1.329062 4.536165 -0.231645 ESP Fit Center 6598 is at 0.941005 4.670473 -0.231645 ESP Fit Center 6599 is at 0.534543 4.728914 -0.231645 ESP Fit Center 6600 is at 1.608739 4.332825 -0.653040 ESP Fit Center 6601 is at 1.242479 4.528595 -0.653040 ESP Fit Center 6602 is at 0.845064 4.649150 -0.653040 ESP Fit Center 6603 is at 0.431766 4.689856 -0.653040 ESP Fit Center 6604 is at 0.018468 4.649150 -0.653040 ESP Fit Center 6605 is at 1.429556 4.299583 -1.058241 ESP Fit Center 6606 is at 1.048434 4.469269 -1.058241 ESP Fit Center 6607 is at 0.640361 4.556008 -1.058241 ESP Fit Center 6608 is at 0.223171 4.556008 -1.058241 ESP Fit Center 6609 is at 1.143115 4.220453 -1.431677 ESP Fit Center 6610 is at 0.743633 4.340050 -1.431677 ESP Fit Center 6611 is at 0.327339 4.364296 -1.431677 ESP Fit Center 6612 is at -0.083325 4.291885 -1.431677 ESP Fit Center 6613 is at 0.742514 4.066765 -1.758996 ESP Fit Center 6614 is at 0.327536 4.095150 -1.758996 ESP Fit Center 6615 is at -0.079713 4.010523 -1.758996 ESP Fit Center 6616 is at -0.449027 3.819160 -1.758996 ESP Fit Center 6617 is at 6.284491 -3.013446 -0.932708 ESP Fit Center 6618 is at 6.631456 -2.788754 -0.932708 ESP Fit Center 6619 is at 6.205331 -3.017562 -1.355081 ESP Fit Center 6620 is at 6.562129 -2.798916 -1.355081 ESP Fit Center 6621 is at 6.399130 -2.791183 -1.767054 ESP Fit Center 6622 is at 6.197507 -2.724875 -2.158482 ESP Fit Center 6623 is at 5.902058 -2.628414 -2.519728 ESP Fit Center 6624 is at 5.419482 -2.502784 -2.841896 ESP Fit Center 6625 is at 5.823014 -2.361582 -2.841896 ESP Fit Center 6626 is at 4.994648 -2.228483 -3.117054 ESP Fit Center 6627 is at 5.405399 -2.174407 -3.117054 ESP Fit Center 6628 is at 5.788158 -2.015863 -3.117054 ESP Fit Center 6629 is at 5.607535 -1.703015 -3.338426 ESP Fit Center 6630 is at 4.605265 1.706522 2.440341 ESP Fit Center 6631 is at 4.201733 1.565321 2.440341 ESP Fit Center 6632 is at 4.315669 1.909410 2.118173 ESP Fit Center 6633 is at 3.937926 1.736900 2.118173 ESP Fit Center 6634 is at 3.827240 1.928614 1.756927 ESP Fit Center 6635 is at 3.998604 2.196772 1.365498 ESP Fit Center 6636 is at 3.625617 1.994921 1.365498 ESP Fit Center 6637 is at 7.458818 0.678982 -0.303194 ESP Fit Center 6638 is at 3.794149 -2.170929 -3.263983 ESP Fit Center 6639 is at 4.207447 -2.211635 -3.263983 ESP Fit Center 6640 is at 4.620745 -2.170929 -3.263983 ESP Fit Center 6641 is at 5.018160 -2.050374 -3.263983 ESP Fit Center 6642 is at 6.203027 -0.093139 -3.669184 ESP Fit Center 6643 is at 6.159419 0.321766 -3.669184 ESP Fit Center 6644 is at 3.590779 -1.991048 -3.669184 ESP Fit Center 6645 is at 3.998852 -2.077787 -3.669184 ESP Fit Center 6646 is at 4.416042 -2.077787 -3.669184 ESP Fit Center 6647 is at 4.824115 -1.991048 -3.669184 ESP Fit Center 6648 is at 5.205237 -1.821362 -3.669184 ESP Fit Center 6649 is at 5.542750 -1.576144 -3.669184 ESP Fit Center 6650 is at 5.821905 -1.266111 -3.669184 ESP Fit Center 6651 is at 6.030500 -0.904814 -3.669184 ESP Fit Center 6652 is at 6.159419 -0.508043 -3.669184 ESP Fit Center 6653 is at 6.003421 -0.093139 -4.042620 ESP Fit Center 6654 is at 5.955011 0.321041 -4.042620 ESP Fit Center 6655 is at 5.812388 0.712893 -4.042620 ESP Fit Center 6656 is at 5.583243 1.061291 -4.042620 ESP Fit Center 6657 is at 2.706932 0.893765 -4.042620 ESP Fit Center 6658 is at 2.423616 -0.301639 -4.042620 ESP Fit Center 6659 is at 2.519783 -0.707398 -4.042620 ESP Fit Center 6660 is at 2.706932 -1.080043 -4.042620 ESP Fit Center 6661 is at 2.974975 -1.399483 -4.042620 ESP Fit Center 6662 is at 3.309460 -1.648498 -4.042620 ESP Fit Center 6663 is at 3.692356 -1.813663 -4.042620 ESP Fit Center 6664 is at 4.103020 -1.886075 -4.042620 ESP Fit Center 6665 is at 4.519315 -1.861828 -4.042620 ESP Fit Center 6666 is at 4.918796 -1.742231 -4.042620 ESP Fit Center 6667 is at 5.279928 -1.533731 -4.042620 ESP Fit Center 6668 is at 5.583243 -1.247569 -4.042620 ESP Fit Center 6669 is at 5.812388 -0.899171 -4.042620 ESP Fit Center 6670 is at 5.955011 -0.507319 -4.042620 ESP Fit Center 6671 is at 5.734798 -0.093139 -4.369939 ESP Fit Center 6672 is at 5.678159 0.318936 -4.369939 ESP Fit Center 6673 is at 5.512445 0.700448 -4.369939 ESP Fit Center 6674 is at 5.249945 1.023104 -4.369939 ESP Fit Center 6675 is at 4.910128 1.262973 -4.369939 ESP Fit Center 6676 is at 4.518196 1.402266 -4.369939 ESP Fit Center 6677 is at 4.103217 1.430651 -4.369939 ESP Fit Center 6678 is at 3.695968 1.346024 -4.369939 ESP Fit Center 6679 is at 3.326654 1.154661 -4.369939 ESP Fit Center 6680 is at 3.022664 0.870754 -4.369939 ESP Fit Center 6681 is at 2.806544 0.515359 -4.369939 ESP Fit Center 6682 is at 2.694322 0.114835 -4.369939 ESP Fit Center 6683 is at 2.694322 -0.301113 -4.369939 ESP Fit Center 6684 is at 2.806544 -0.701637 -4.369939 ESP Fit Center 6685 is at 3.022664 -1.057031 -4.369939 ESP Fit Center 6686 is at 3.326654 -1.340938 -4.369939 ESP Fit Center 6687 is at 3.695968 -1.532302 -4.369939 ESP Fit Center 6688 is at 4.103217 -1.616929 -4.369939 ESP Fit Center 6689 is at 4.518196 -1.588543 -4.369939 ESP Fit Center 6690 is at 4.910128 -1.449251 -4.369939 ESP Fit Center 6691 is at 5.249945 -1.209382 -4.369939 ESP Fit Center 6692 is at 5.512445 -0.886726 -4.369939 ESP Fit Center 6693 is at 5.678159 -0.505213 -4.369939 ESP Fit Center 6694 is at 5.407479 -0.093139 -4.638562 ESP Fit Center 6695 is at 5.335108 0.317296 -4.638562 ESP Fit Center 6696 is at 5.126725 0.678227 -4.638562 ESP Fit Center 6697 is at 4.807463 0.946119 -4.638562 ESP Fit Center 6698 is at 4.415830 1.088662 -4.638562 ESP Fit Center 6699 is at 3.999064 1.088662 -4.638562 ESP Fit Center 6700 is at 3.607431 0.946119 -4.638562 ESP Fit Center 6701 is at 3.288169 0.678227 -4.638562 ESP Fit Center 6702 is at 3.079786 0.317296 -4.638562 ESP Fit Center 6703 is at 3.007415 -0.093139 -4.638562 ESP Fit Center 6704 is at 3.079786 -0.503574 -4.638562 ESP Fit Center 6705 is at 3.288169 -0.864504 -4.638562 ESP Fit Center 6706 is at 3.607431 -1.132397 -4.638562 ESP Fit Center 6707 is at 3.999064 -1.274939 -4.638562 ESP Fit Center 6708 is at 4.415830 -1.274939 -4.638562 ESP Fit Center 6709 is at 4.807463 -1.132397 -4.638562 ESP Fit Center 6710 is at 5.126725 -0.864504 -4.638562 ESP Fit Center 6711 is at 5.335108 -0.503574 -4.638562 ESP Fit Center 6712 is at 5.034043 -0.093139 -4.838168 ESP Fit Center 6713 is at 4.923300 0.320159 -4.838168 ESP Fit Center 6714 is at 4.620745 0.622715 -4.838168 ESP Fit Center 6715 is at 4.207447 0.733457 -4.838168 ESP Fit Center 6716 is at 3.794149 0.622715 -4.838168 ESP Fit Center 6717 is at 3.491594 0.320159 -4.838168 ESP Fit Center 6718 is at 3.380851 -0.093139 -4.838168 ESP Fit Center 6719 is at 3.491594 -0.506437 -4.838168 ESP Fit Center 6720 is at 3.794149 -0.808992 -4.838168 ESP Fit Center 6721 is at 4.207447 -0.919735 -4.838168 ESP Fit Center 6722 is at 4.620745 -0.808992 -4.838168 ESP Fit Center 6723 is at 4.923300 -0.506437 -4.838168 ESP Fit Center 6724 is at 4.628842 -0.093139 -4.961084 ESP Fit Center 6725 is at 4.418145 0.271800 -4.961084 ESP Fit Center 6726 is at 3.996749 0.271800 -4.961084 ESP Fit Center 6727 is at 3.786052 -0.093139 -4.961084 ESP Fit Center 6728 is at 3.996749 -0.458078 -4.961084 ESP Fit Center 6729 is at 4.418145 -0.458078 -4.961084 ESP Fit Center 6730 is at 4.207447 -0.093139 -5.002588 ESP Fit Center 6731 is at 4.943520 2.828131 -0.283985 ESP Fit Center 6732 is at 5.705253 2.773319 -0.611304 ESP Fit Center 6733 is at 5.344121 2.981819 -0.611304 ESP Fit Center 6734 is at 4.944639 3.101416 -0.611304 ESP Fit Center 6735 is at 6.455824 2.144402 -0.984739 ESP Fit Center 6736 is at 6.247230 2.505698 -0.984739 ESP Fit Center 6737 is at 5.968075 2.815731 -0.984739 ESP Fit Center 6738 is at 5.630561 3.060949 -0.984739 ESP Fit Center 6739 is at 5.249440 3.230635 -0.984739 ESP Fit Center 6740 is at 4.841366 3.317374 -0.984739 ESP Fit Center 6741 is at 6.710561 1.746024 -1.389941 ESP Fit Center 6742 is at 6.590007 2.143440 -1.389941 ESP Fit Center 6743 is at 6.394237 2.509700 -1.389941 ESP Fit Center 6744 is at 6.130775 2.830729 -1.389941 ESP Fit Center 6745 is at 5.809745 3.094191 -1.389941 ESP Fit Center 6746 is at 5.443485 3.289961 -1.389941 ESP Fit Center 6747 is at 5.046070 3.410516 -1.389941 ESP Fit Center 6748 is at 6.792772 1.332726 -1.811336 ESP Fit Center 6749 is at 6.753738 1.741509 -1.811336 ESP Fit Center 6750 is at 6.638046 2.135517 -1.811336 ESP Fit Center 6751 is at 6.449879 2.500510 -1.811336 ESP Fit Center 6752 is at 6.196037 2.823297 -1.811336 ESP Fit Center 6753 is at 5.885695 3.092210 -1.811336 ESP Fit Center 6754 is at 5.530068 3.297531 -1.811336 ESP Fit Center 6755 is at 5.142011 3.431839 -1.811336 ESP Fit Center 6756 is at 4.735549 3.490280 -1.811336 ESP Fit Center 6757 is at 6.751268 1.332726 -2.232731 ESP Fit Center 6758 is at 6.710561 1.746024 -2.232731 ESP Fit Center 6759 is at 6.590007 2.143440 -2.232731 ESP Fit Center 6760 is at 6.394237 2.509700 -2.232731 ESP Fit Center 6761 is at 6.130775 2.830729 -2.232731 ESP Fit Center 6762 is at 5.809745 3.094191 -2.232731 ESP Fit Center 6763 is at 5.443485 3.289961 -2.232731 ESP Fit Center 6764 is at 5.046070 3.410516 -2.232731 ESP Fit Center 6765 is at 4.632772 3.451222 -2.232731 ESP Fit Center 6766 is at 6.628351 1.332726 -2.637932 ESP Fit Center 6767 is at 6.584743 1.747630 -2.637932 ESP Fit Center 6768 is at 6.455824 2.144402 -2.637932 ESP Fit Center 6769 is at 6.247230 2.505698 -2.637932 ESP Fit Center 6770 is at 5.968075 2.815731 -2.637932 ESP Fit Center 6771 is at 5.630561 3.060949 -2.637932 ESP Fit Center 6772 is at 5.249440 3.230635 -2.637932 ESP Fit Center 6773 is at 4.841366 3.317374 -2.637932 ESP Fit Center 6774 is at 4.424177 3.317374 -2.637932 ESP Fit Center 6775 is at 4.016104 3.230635 -2.637932 ESP Fit Center 6776 is at 6.428746 1.332726 -3.011367 ESP Fit Center 6777 is at 6.380335 1.746906 -3.011367 ESP Fit Center 6778 is at 6.237713 2.138758 -3.011367 ESP Fit Center 6779 is at 6.008568 2.487156 -3.011367 ESP Fit Center 6780 is at 5.705253 2.773319 -3.011367 ESP Fit Center 6781 is at 5.344121 2.981819 -3.011367 ESP Fit Center 6782 is at 4.944639 3.101416 -3.011367 ESP Fit Center 6783 is at 4.528345 3.125662 -3.011367 ESP Fit Center 6784 is at 4.117680 3.053251 -3.011367 ESP Fit Center 6785 is at 3.734784 2.888086 -3.011367 ESP Fit Center 6786 is at 6.103484 1.744800 -3.338686 ESP Fit Center 6787 is at 5.937770 2.126313 -3.338686 ESP Fit Center 6788 is at 5.675270 2.448969 -3.338686 ESP Fit Center 6789 is at 5.335452 2.688838 -3.338686 ESP Fit Center 6790 is at 4.943520 2.828131 -3.338686 ESP Fit Center 6791 is at 4.528541 2.856516 -3.338686 ESP Fit Center 6792 is at 4.121293 2.771889 -3.338686 ESP Fit Center 6793 is at 3.751979 2.580526 -3.338686 ESP Fit Center 6794 is at 5.760433 1.743161 -3.607310 ESP Fit Center 6795 is at 5.552049 2.104092 -3.607310 ESP Fit Center 6796 is at 5.232787 2.371984 -3.607310 ESP Fit Center 6797 is at 4.841155 2.514527 -3.607310 ESP Fit Center 6798 is at 4.424388 2.514527 -3.607310 ESP Fit Center 6799 is at 4.032756 2.371984 -3.607310 ESP Fit Center 6800 is at 5.046070 2.048579 -3.806915 ESP Fit Center 6801 is at 4.632772 2.159322 -3.806915 ESP Fit Center 6802 is at 3.143553 -2.252489 0.553128 ESP Fit Center 6803 is at 3.359673 -2.607883 0.553128 ESP Fit Center 6804 is at 3.311984 -2.950335 0.225809 ESP Fit Center 6805 is at 3.646469 -3.199350 0.225809 ESP Fit Center 6806 is at 3.209153 -3.126996 -0.147627 ESP Fit Center 6807 is at 3.546667 -3.372214 -0.147627 ESP Fit Center 6808 is at 3.927788 -3.541900 -0.147627 ESP Fit Center 6809 is at 4.335862 -3.628639 -0.147627 ESP Fit Center 6810 is at 4.753051 -3.628639 -0.147627 ESP Fit Center 6811 is at 3.367483 -3.405456 -0.552828 ESP Fit Center 6812 is at 3.733743 -3.601226 -0.552828 ESP Fit Center 6813 is at 4.131158 -3.721781 -0.552828 ESP Fit Center 6814 is at 4.544456 -3.762487 -0.552828 ESP Fit Center 6815 is at 4.957755 -3.721781 -0.552828 ESP Fit Center 6816 is at 5.355170 -3.601226 -0.552828 ESP Fit Center 6817 is at 5.721430 -3.405456 -0.552828 ESP Fit Center 6818 is at 6.042459 -3.141994 -0.552828 ESP Fit Center 6819 is at 3.464456 -3.514606 -0.974223 ESP Fit Center 6820 is at 3.837990 -3.685193 -0.974223 ESP Fit Center 6821 is at 4.237056 -3.782005 -0.974223 ESP Fit Center 6822 is at 4.647233 -3.801544 -0.974223 ESP Fit Center 6823 is at 5.053696 -3.743104 -0.974223 ESP Fit Center 6824 is at 5.441753 -3.608796 -0.974223 ESP Fit Center 6825 is at 5.797379 -3.403475 -0.974223 ESP Fit Center 6826 is at 6.107722 -3.134561 -0.974223 ESP Fit Center 6827 is at 3.733743 -3.601226 -1.395618 ESP Fit Center 6828 is at 4.131158 -3.721781 -1.395618 ESP Fit Center 6829 is at 4.544456 -3.762487 -1.395618 ESP Fit Center 6830 is at 4.957755 -3.721781 -1.395618 ESP Fit Center 6831 is at 5.355170 -3.601226 -1.395618 ESP Fit Center 6832 is at 5.721430 -3.405456 -1.395618 ESP Fit Center 6833 is at 6.042459 -3.141994 -1.395618 ESP Fit Center 6834 is at 3.927788 -3.541900 -1.800819 ESP Fit Center 6835 is at 4.335862 -3.628639 -1.800819 ESP Fit Center 6836 is at 4.753051 -3.628639 -1.800819 ESP Fit Center 6837 is at 5.161125 -3.541900 -1.800819 ESP Fit Center 6838 is at 5.542246 -3.372214 -1.800819 ESP Fit Center 6839 is at 5.879760 -3.126996 -1.800819 ESP Fit Center 6840 is at 4.029365 -3.364515 -2.174254 ESP Fit Center 6841 is at 4.440030 -3.436927 -2.174254 ESP Fit Center 6842 is at 4.856324 -3.412680 -2.174254 ESP Fit Center 6843 is at 5.255806 -3.293083 -2.174254 ESP Fit Center 6844 is at 5.616938 -3.084583 -2.174254 ESP Fit Center 6845 is at 4.032978 -3.083154 -2.501573 ESP Fit Center 6846 is at 4.440226 -3.167781 -2.501573 ESP Fit Center 6847 is at 4.855205 -3.139395 -2.501573 ESP Fit Center 6848 is at 5.247137 -3.000103 -2.501573 ESP Fit Center 6849 is at 5.586954 -2.760234 -2.501573 ESP Fit Center 6850 is at 3.944441 -2.683249 -2.770197 ESP Fit Center 6851 is at 4.336073 -2.825791 -2.770197 ESP Fit Center 6852 is at 4.752840 -2.825791 -2.770197 ESP Fit Center 6853 is at 5.144472 -2.683249 -2.770197 ESP Fit Center 6854 is at 4.131158 -2.359844 -2.969803 ESP Fit Center 6855 is at 4.544456 -2.470587 -2.969803 ESP Fit Center 6856 is at 7.849068 0.120161 -0.483875 ESP Fit Center 6857 is at 7.640473 0.481458 -0.483875 ESP Fit Center 6858 is at 8.144511 -0.691514 -0.889076 ESP Fit Center 6859 is at 8.103805 -0.278216 -0.889076 ESP Fit Center 6860 is at 7.983251 0.119199 -0.889076 ESP Fit Center 6861 is at 7.787480 0.485459 -0.889076 ESP Fit Center 6862 is at 7.524018 0.806489 -0.889076 ESP Fit Center 6863 is at 7.202989 1.069951 -0.889076 ESP Fit Center 6864 is at 6.836729 -2.648750 -0.889076 ESP Fit Center 6865 is at 7.202989 -2.452979 -0.889076 ESP Fit Center 6866 is at 7.524018 -2.189517 -0.889076 ESP Fit Center 6867 is at 7.787480 -1.868488 -0.889076 ESP Fit Center 6868 is at 7.983251 -1.502228 -0.889076 ESP Fit Center 6869 is at 8.103805 -1.104812 -0.889076 ESP Fit Center 6870 is at 8.186015 -0.691514 -1.310471 ESP Fit Center 6871 is at 8.146981 -0.282732 -1.310471 ESP Fit Center 6872 is at 8.031290 0.111277 -1.310471 ESP Fit Center 6873 is at 7.843123 0.476270 -1.310471 ESP Fit Center 6874 is at 7.589281 0.799056 -1.310471 ESP Fit Center 6875 is at 7.278938 1.067970 -1.310471 ESP Fit Center 6876 is at 6.923312 1.273291 -1.310471 ESP Fit Center 6877 is at 6.923312 -2.656319 -1.310471 ESP Fit Center 6878 is at 7.278938 -2.450998 -1.310471 ESP Fit Center 6879 is at 7.589281 -2.182085 -1.310471 ESP Fit Center 6880 is at 7.843123 -1.859298 -1.310471 ESP Fit Center 6881 is at 8.031290 -1.494305 -1.310471 ESP Fit Center 6882 is at 8.146981 -1.100297 -1.310471 ESP Fit Center 6883 is at 8.144511 -0.691514 -1.731866 ESP Fit Center 6884 is at 8.103805 -0.278216 -1.731866 ESP Fit Center 6885 is at 7.983251 0.119199 -1.731866 ESP Fit Center 6886 is at 7.787480 0.485459 -1.731866 ESP Fit Center 6887 is at 7.524018 0.806489 -1.731866 ESP Fit Center 6888 is at 7.202989 1.069951 -1.731866 ESP Fit Center 6889 is at 6.836729 1.265721 -1.731866 ESP Fit Center 6890 is at 6.836729 -2.648750 -1.731866 ESP Fit Center 6891 is at 7.202989 -2.452979 -1.731866 ESP Fit Center 6892 is at 7.524018 -2.189517 -1.731866 ESP Fit Center 6893 is at 7.787480 -1.868488 -1.731866 ESP Fit Center 6894 is at 7.983251 -1.502228 -1.731866 ESP Fit Center 6895 is at 8.103805 -1.104812 -1.731866 ESP Fit Center 6896 is at 8.021595 -0.691514 -2.137068 ESP Fit Center 6897 is at 7.977987 -0.276610 -2.137068 ESP Fit Center 6898 is at 7.849068 0.120161 -2.137068 ESP Fit Center 6899 is at 7.640473 0.481458 -2.137068 ESP Fit Center 6900 is at 7.361319 0.791491 -2.137068 ESP Fit Center 6901 is at 7.023805 1.036709 -2.137068 ESP Fit Center 6902 is at 6.642683 -2.589423 -2.137068 ESP Fit Center 6903 is at 7.023805 -2.419737 -2.137068 ESP Fit Center 6904 is at 7.361319 -2.174519 -2.137068 ESP Fit Center 6905 is at 7.640473 -1.864487 -2.137068 ESP Fit Center 6906 is at 7.849068 -1.503190 -2.137068 ESP Fit Center 6907 is at 7.977987 -1.106419 -2.137068 ESP Fit Center 6908 is at 7.821990 -0.691514 -2.510503 ESP Fit Center 6909 is at 7.773579 -0.277334 -2.510503 ESP Fit Center 6910 is at 7.630957 0.114518 -2.510503 ESP Fit Center 6911 is at 7.401811 0.462916 -2.510503 ESP Fit Center 6912 is at 7.098497 0.749078 -2.510503 ESP Fit Center 6913 is at 6.737364 0.957578 -2.510503 ESP Fit Center 6914 is at 6.337883 -2.460204 -2.510503 ESP Fit Center 6915 is at 6.737364 -2.340607 -2.510503 ESP Fit Center 6916 is at 7.098497 -2.132107 -2.510503 ESP Fit Center 6917 is at 7.401811 -1.845944 -2.510503 ESP Fit Center 6918 is at 7.630957 -1.497546 -2.510503 ESP Fit Center 6919 is at 7.773579 -1.105694 -2.510503 ESP Fit Center 6920 is at 7.553366 -0.691514 -2.837822 ESP Fit Center 6921 is at 7.496728 -0.279440 -2.837822 ESP Fit Center 6922 is at 7.331013 0.102073 -2.837822 ESP Fit Center 6923 is at 7.068513 0.424729 -2.837822 ESP Fit Center 6924 is at 6.728696 0.664598 -2.837822 ESP Fit Center 6925 is at 6.336764 -2.186919 -2.837822 ESP Fit Center 6926 is at 6.728696 -2.047626 -2.837822 ESP Fit Center 6927 is at 7.068513 -1.807757 -2.837822 ESP Fit Center 6928 is at 7.331013 -1.485101 -2.837822 ESP Fit Center 6929 is at 7.496728 -1.103589 -2.837822 ESP Fit Center 6930 is at 7.226047 -0.691514 -3.106446 ESP Fit Center 6931 is at 7.153676 -0.281079 -3.106446 ESP Fit Center 6932 is at 6.945293 0.079851 -3.106446 ESP Fit Center 6933 is at 6.626031 0.347744 -3.106446 ESP Fit Center 6934 is at 6.234399 -1.873315 -3.106446 ESP Fit Center 6935 is at 6.626031 -1.730772 -3.106446 ESP Fit Center 6936 is at 6.945293 -1.462880 -3.106446 ESP Fit Center 6937 is at 7.153676 -1.101949 -3.106446 ESP Fit Center 6938 is at 6.852611 -0.691514 -3.306051 ESP Fit Center 6939 is at 6.741869 -0.278216 -3.306051 ESP Fit Center 6940 is at 6.439313 0.024339 -3.306051 ESP Fit Center 6941 is at 6.026015 -1.518110 -3.306051 ESP Fit Center 6942 is at 6.439313 -1.407368 -3.306051 ESP Fit Center 6943 is at 6.741869 -1.104812 -3.306051 ESP Fit Center 6944 is at 6.447410 -0.691514 -3.428968 ESP Fit Center 6945 is at 6.236713 -1.056453 -3.428968 ESP Fit Center 6946 is at 6.682904 -3.400416 2.592323 ESP Fit Center 6947 is at 3.431381 -1.973562 2.200894 ESP Fit Center 6948 is at 6.891595 -3.491352 2.200894 ESP Fit Center 6949 is at 7.264582 -3.289501 2.200894 ESP Fit Center 6950 is at 7.599259 -3.029012 2.200894 ESP Fit Center 6951 is at 7.886497 -2.716989 2.200894 ESP Fit Center 6952 is at 7.070783 -3.515881 1.788922 ESP Fit Center 6953 is at 7.427582 -3.297234 1.788922 ESP Fit Center 6954 is at 7.745783 -3.025464 1.788922 ESP Fit Center 6955 is at 7.149944 -3.511764 1.366549 ESP Fit Center 6956 is at 7.496909 -3.287072 1.366549 ESP Fit Center 6957 is at 7.070783 -3.515881 0.944176 ESP Fit Center 6958 is at 7.427582 -3.297234 0.944176 ESP Fit Center 6959 is at 6.891595 -3.491352 0.532203 ESP Fit Center 6960 is at 7.264582 -3.289501 0.532203 ESP Fit Center 6961 is at 7.062959 -3.223194 0.140774 ESP Fit Center 6962 is at 6.767510 -3.126732 -0.220472 ESP Fit Center 6963 is at 6.284935 -3.001102 -0.542640 ESP Fit Center 6964 is at 6.688466 -2.859901 -0.542640 ESP Fit Center 6965 is at 3.409988 0.933853 2.731168 ESP Fit Center 6966 is at 3.090726 0.665960 2.731168 ESP Fit Center 6967 is at 2.882343 0.305030 2.731168 ESP Fit Center 6968 is at 2.809972 -0.105405 2.731168 ESP Fit Center 6969 is at 3.905774 1.418385 2.462544 ESP Fit Center 6970 is at 3.498525 1.333758 2.462544 ESP Fit Center 6971 is at 3.129211 1.142394 2.462544 ESP Fit Center 6972 is at 2.825221 0.858488 2.462544 ESP Fit Center 6973 is at 2.609100 0.503093 2.462544 ESP Fit Center 6974 is at 2.496879 0.102569 2.462544 ESP Fit Center 6975 is at 2.496879 -0.313379 2.462544 ESP Fit Center 6976 is at 2.609100 -0.713903 2.462544 ESP Fit Center 6977 is at 2.825221 -1.069298 2.462544 ESP Fit Center 6978 is at 3.494912 1.615120 2.135225 ESP Fit Center 6979 is at 3.112016 1.449954 2.135225 ESP Fit Center 6980 is at 2.777531 1.200939 2.135225 ESP Fit Center 6981 is at 2.509489 0.881499 2.135225 ESP Fit Center 6982 is at 2.322340 0.508854 2.135225 ESP Fit Center 6983 is at 2.226173 0.103095 2.135225 ESP Fit Center 6984 is at 2.226173 -0.313905 2.135225 ESP Fit Center 6985 is at 2.322340 -0.719664 2.135225 ESP Fit Center 6986 is at 2.509489 -1.092309 2.135225 ESP Fit Center 6987 is at 2.777531 -1.411749 2.135225 ESP Fit Center 6988 is at 3.112016 -1.660764 2.135225 ESP Fit Center 6989 is at 3.393336 1.792504 1.761789 ESP Fit Center 6990 is at 3.012214 1.622818 1.761789 ESP Fit Center 6991 is at 2.674700 1.377600 1.761789 ESP Fit Center 6992 is at 2.395546 1.067567 1.761789 ESP Fit Center 6993 is at 2.186951 0.706270 1.761789 ESP Fit Center 6994 is at 2.058032 0.309499 1.761789 ESP Fit Center 6995 is at 2.014424 -0.105405 1.761789 ESP Fit Center 6996 is at 2.058032 -0.520309 1.761789 ESP Fit Center 6997 is at 2.186951 -0.917080 1.761789 ESP Fit Center 6998 is at 2.395546 -1.278377 1.761789 ESP Fit Center 6999 is at 2.674700 -1.588410 1.761789 ESP Fit Center 7000 is at 3.012214 -1.833628 1.761789 ESP Fit Center 7001 is at 1.891507 -0.105405 1.356588 ESP Fit Center 7002 is at 1.932214 -0.518703 1.356588 ESP Fit Center 7003 is at 2.052768 -0.916118 1.356588 ESP Fit Center 7004 is at 2.248538 -1.282378 1.356588 ESP Fit Center 7005 is at 2.512001 -1.603408 1.356588 ESP Fit Center 7006 is at 2.833030 -1.866870 1.356588 ESP Fit Center 7007 is at 3.199290 -2.062640 1.356588 ESP Fit Center 7008 is at 2.930004 -1.976020 0.935193 ESP Fit Center 7009 is at 4.891170 1.881070 2.372420 ESP Fit Center 7010 is at 5.801934 2.337217 2.103796 ESP Fit Center 7011 is at 5.386956 2.365602 2.103796 ESP Fit Center 7012 is at 4.979707 2.280975 2.103796 ESP Fit Center 7013 is at 4.610393 2.089612 2.103796 ESP Fit Center 7014 is at 6.563667 2.282405 1.776477 ESP Fit Center 7015 is at 6.202535 2.490905 1.776477 ESP Fit Center 7016 is at 5.803053 2.610502 1.776477 ESP Fit Center 7017 is at 5.386759 2.634748 1.776477 ESP Fit Center 7018 is at 4.976095 2.562337 1.776477 ESP Fit Center 7019 is at 4.593199 2.397172 1.776477 ESP Fit Center 7020 is at 4.258713 2.148157 1.776477 ESP Fit Center 7021 is at 7.314239 1.653488 1.403042 ESP Fit Center 7022 is at 7.105644 2.014785 1.403042 ESP Fit Center 7023 is at 6.826489 2.324817 1.403042 ESP Fit Center 7024 is at 6.488976 2.570035 1.403042 ESP Fit Center 7025 is at 6.107854 2.739722 1.403042 ESP Fit Center 7026 is at 5.699781 2.826460 1.403042 ESP Fit Center 7027 is at 5.282591 2.826460 1.403042 ESP Fit Center 7028 is at 4.874518 2.739722 1.403042 ESP Fit Center 7029 is at 4.493396 2.570035 1.403042 ESP Fit Center 7030 is at 4.155882 2.324817 1.403042 ESP Fit Center 7031 is at 7.568976 1.255110 0.997841 ESP Fit Center 7032 is at 7.448421 1.652526 0.997841 ESP Fit Center 7033 is at 7.252651 2.018786 0.997841 ESP Fit Center 7034 is at 6.989189 2.339815 0.997841 ESP Fit Center 7035 is at 6.668159 2.603278 0.997841 ESP Fit Center 7036 is at 6.301899 2.799048 0.997841 ESP Fit Center 7037 is at 5.904484 2.919602 0.997841 ESP Fit Center 7038 is at 5.491186 2.960309 0.997841 ESP Fit Center 7039 is at 5.077888 2.919602 0.997841 ESP Fit Center 7040 is at 4.680472 2.799048 0.997841 ESP Fit Center 7041 is at 4.314212 2.603278 0.997841 ESP Fit Center 7042 is at 3.993183 2.339815 0.997841 ESP Fit Center 7043 is at 7.651186 0.841812 0.576446 ESP Fit Center 7044 is at 7.612152 1.250595 0.576446 ESP Fit Center 7045 is at 7.496461 1.644603 0.576446 ESP Fit Center 7046 is at 7.308293 2.009597 0.576446 ESP Fit Center 7047 is at 7.054451 2.332383 0.576446 ESP Fit Center 7048 is at 6.744109 2.601296 0.576446 ESP Fit Center 7049 is at 6.388482 2.806617 0.576446 ESP Fit Center 7050 is at 6.000425 2.940925 0.576446 ESP Fit Center 7051 is at 5.593963 2.999366 0.576446 ESP Fit Center 7052 is at 5.183786 2.979827 0.576446 ESP Fit Center 7053 is at 4.784719 2.883014 0.576446 ESP Fit Center 7054 is at 4.411186 2.712427 0.576446 ESP Fit Center 7055 is at 7.609682 0.841812 0.155051 ESP Fit Center 7056 is at 7.568976 1.255110 0.155051 ESP Fit Center 7057 is at 7.448421 1.652526 0.155051 ESP Fit Center 7058 is at 7.252651 2.018786 0.155051 ESP Fit Center 7059 is at 6.989189 2.339815 0.155051 ESP Fit Center 7060 is at 6.668159 2.603278 0.155051 ESP Fit Center 7061 is at 6.301899 2.799048 0.155051 ESP Fit Center 7062 is at 5.904484 2.919602 0.155051 ESP Fit Center 7063 is at 5.491186 2.960309 0.155051 ESP Fit Center 7064 is at 5.077888 2.919602 0.155051 ESP Fit Center 7065 is at 4.680472 2.799048 0.155051 ESP Fit Center 7066 is at 7.486766 0.841812 -0.250151 ESP Fit Center 7067 is at 7.443157 1.256717 -0.250151 ESP Fit Center 7068 is at 7.314239 1.653488 -0.250151 ESP Fit Center 7069 is at 7.105644 2.014785 -0.250151 ESP Fit Center 7070 is at 6.826489 2.324817 -0.250151 ESP Fit Center 7071 is at 6.488976 2.570035 -0.250151 ESP Fit Center 7072 is at 6.107854 2.739722 -0.250151 ESP Fit Center 7073 is at 5.699781 2.826460 -0.250151 ESP Fit Center 7074 is at 5.282591 2.826460 -0.250151 ESP Fit Center 7075 is at 7.238749 1.255993 -0.623586 ESP Fit Center 7076 is at 7.096127 1.647844 -0.623586 ESP Fit Center 7077 is at 6.866982 1.996242 -0.623586 ESP Fit Center 7078 is at 6.563667 2.282405 -0.623586 ESP Fit Center 7079 is at 6.202535 2.490905 -0.623586 ESP Fit Center 7080 is at 6.961898 1.253887 -0.950905 ESP Fit Center 7081 is at 6.796184 1.635399 -0.950905 ESP Fit Center 7082 is at 6.533684 1.958055 -0.950905 ESP Fit Center 7083 is at 8.679446 -1.187885 2.166228 ESP Fit Center 7084 is at 8.631035 -0.773705 2.166228 ESP Fit Center 7085 is at 8.259268 -2.342315 2.166228 ESP Fit Center 7086 is at 8.488413 -1.993917 2.166228 ESP Fit Center 7087 is at 8.631035 -1.602065 2.166228 ESP Fit Center 7088 is at 8.879051 -1.187885 1.792792 ESP Fit Center 7089 is at 8.835443 -0.772981 1.792792 ESP Fit Center 7090 is at 8.706524 -0.376210 1.792792 ESP Fit Center 7091 is at 8.497930 -0.014913 1.792792 ESP Fit Center 7092 is at 7.881261 -2.916108 1.792792 ESP Fit Center 7093 is at 8.218775 -2.670890 1.792792 ESP Fit Center 7094 is at 8.497930 -2.360858 1.792792 ESP Fit Center 7095 is at 8.706524 -1.999561 1.792792 ESP Fit Center 7096 is at 8.835443 -1.602790 1.792792 ESP Fit Center 7097 is at 9.001968 -1.187885 1.387591 ESP Fit Center 7098 is at 8.961261 -0.774587 1.387591 ESP Fit Center 7099 is at 8.840707 -0.377172 1.387591 ESP Fit Center 7100 is at 8.644937 -0.010912 1.387591 ESP Fit Center 7101 is at 8.381475 0.310118 1.387591 ESP Fit Center 7102 is at 8.060445 0.573580 1.387591 ESP Fit Center 7103 is at 7.694185 -3.145120 1.387591 ESP Fit Center 7104 is at 8.060445 -2.949350 1.387591 ESP Fit Center 7105 is at 8.381475 -2.685888 1.387591 ESP Fit Center 7106 is at 8.644937 -2.364859 1.387591 ESP Fit Center 7107 is at 8.840707 -1.998599 1.387591 ESP Fit Center 7108 is at 8.961261 -1.601183 1.387591 ESP Fit Center 7109 is at 9.043472 -1.187885 0.966196 ESP Fit Center 7110 is at 9.004438 -0.779102 0.966196 ESP Fit Center 7111 is at 8.888746 -0.385094 0.966196 ESP Fit Center 7112 is at 8.700579 -0.020101 0.966196 ESP Fit Center 7113 is at 8.446737 0.302686 0.966196 ESP Fit Center 7114 is at 8.136394 0.571599 0.966196 ESP Fit Center 7115 is at 7.780768 0.776920 0.966196 ESP Fit Center 7116 is at 7.780768 -3.152690 0.966196 ESP Fit Center 7117 is at 8.136394 -2.947369 0.966196 ESP Fit Center 7118 is at 8.446737 -2.678456 0.966196 ESP Fit Center 7119 is at 8.700579 -2.355669 0.966196 ESP Fit Center 7120 is at 8.888746 -1.990676 0.966196 ESP Fit Center 7121 is at 9.004438 -1.596668 0.966196 ESP Fit Center 7122 is at 9.001968 -1.187885 0.544801 ESP Fit Center 7123 is at 8.961261 -0.774587 0.544801 ESP Fit Center 7124 is at 8.840707 -0.377172 0.544801 ESP Fit Center 7125 is at 8.644937 -0.010912 0.544801 ESP Fit Center 7126 is at 8.381475 0.310118 0.544801 ESP Fit Center 7127 is at 8.060445 0.573580 0.544801 ESP Fit Center 7128 is at 7.694185 0.769350 0.544801 ESP Fit Center 7129 is at 7.694185 -3.145120 0.544801 ESP Fit Center 7130 is at 8.060445 -2.949350 0.544801 ESP Fit Center 7131 is at 8.381475 -2.685888 0.544801 ESP Fit Center 7132 is at 8.644937 -2.364859 0.544801 ESP Fit Center 7133 is at 8.840707 -1.998599 0.544801 ESP Fit Center 7134 is at 8.961261 -1.601183 0.544801 ESP Fit Center 7135 is at 8.879051 -1.187885 0.139600 ESP Fit Center 7136 is at 8.835443 -0.772981 0.139600 ESP Fit Center 7137 is at 8.706524 -0.376210 0.139600 ESP Fit Center 7138 is at 8.497930 -0.014913 0.139600 ESP Fit Center 7139 is at 8.218775 0.295120 0.139600 ESP Fit Center 7140 is at 7.881261 0.540338 0.139600 ESP Fit Center 7141 is at 7.500140 -3.085794 0.139600 ESP Fit Center 7142 is at 7.881261 -2.916108 0.139600 ESP Fit Center 7143 is at 8.218775 -2.670890 0.139600 ESP Fit Center 7144 is at 8.497930 -2.360858 0.139600 ESP Fit Center 7145 is at 8.706524 -1.999561 0.139600 ESP Fit Center 7146 is at 8.835443 -1.602790 0.139600 ESP Fit Center 7147 is at 8.679446 -1.187885 -0.233836 ESP Fit Center 7148 is at 8.631035 -0.773705 -0.233836 ESP Fit Center 7149 is at 8.488413 -0.381853 -0.233836 ESP Fit Center 7150 is at 8.259268 -0.033455 -0.233836 ESP Fit Center 7151 is at 7.955953 0.252708 -0.233836 ESP Fit Center 7152 is at 7.594821 0.461207 -0.233836 ESP Fit Center 7153 is at 7.195339 -2.956575 -0.233836 ESP Fit Center 7154 is at 7.594821 -2.836978 -0.233836 ESP Fit Center 7155 is at 7.955953 -2.628478 -0.233836 ESP Fit Center 7156 is at 8.259268 -2.342315 -0.233836 ESP Fit Center 7157 is at 8.488413 -1.993917 -0.233836 ESP Fit Center 7158 is at 8.631035 -1.602065 -0.233836 ESP Fit Center 7159 is at 8.410822 -1.187885 -0.561155 ESP Fit Center 7160 is at 8.354184 -0.775811 -0.561155 ESP Fit Center 7161 is at 8.188470 -0.394298 -0.561155 ESP Fit Center 7162 is at 7.194220 -2.683290 -0.561155 ESP Fit Center 7163 is at 7.586152 -2.543997 -0.561155 ESP Fit Center 7164 is at 7.925970 -2.304128 -0.561155 ESP Fit Center 7165 is at 8.188470 -1.981472 -0.561155 ESP Fit Center 7166 is at 8.354184 -1.599959 -0.561155 ESP Fit Center 7167 is at 8.083503 -1.187885 -0.829778 ESP Fit Center 7168 is at 7.483487 -2.227143 -0.829778 ESP Fit Center 7169 is at 7.802749 -1.959251 -0.829778 ESP Fit Center 7170 is at 8.011132 -1.598320 -0.829778 ESP Fit Center 7171 is at 4.800241 -3.176565 3.116445 ESP Fit Center 7172 is at 5.191874 -3.319108 3.116445 ESP Fit Center 7173 is at 3.999354 -2.745805 2.847821 ESP Fit Center 7174 is at 4.215474 -3.101200 2.847821 ESP Fit Center 7175 is at 4.519464 -3.385107 2.847821 ESP Fit Center 7176 is at 4.888778 -3.576470 2.847821 ESP Fit Center 7177 is at 5.296027 -3.661097 2.847821 ESP Fit Center 7178 is at 5.711006 -3.632712 2.847821 ESP Fit Center 7179 is at 6.102938 -3.493419 2.847821 ESP Fit Center 7180 is at 3.616426 -2.345807 2.520502 ESP Fit Center 7181 is at 3.712593 -2.751567 2.520502 ESP Fit Center 7182 is at 3.899742 -3.124211 2.520502 ESP Fit Center 7183 is at 4.167785 -3.443652 2.520502 ESP Fit Center 7184 is at 4.502270 -3.692667 2.520502 ESP Fit Center 7185 is at 4.885166 -3.857832 2.520502 ESP Fit Center 7186 is at 5.295830 -3.930243 2.520502 ESP Fit Center 7187 is at 5.712125 -3.905997 2.520502 ESP Fit Center 7188 is at 6.111606 -3.786400 2.520502 ESP Fit Center 7189 is at 6.472739 -3.577900 2.520502 ESP Fit Center 7190 is at 3.404677 -2.137307 2.147067 ESP Fit Center 7191 is at 3.448286 -2.552212 2.147067 ESP Fit Center 7192 is at 3.577204 -2.948983 2.147067 ESP Fit Center 7193 is at 3.785799 -3.310280 2.147067 ESP Fit Center 7194 is at 4.064954 -3.620312 2.147067 ESP Fit Center 7195 is at 4.402467 -3.865530 2.147067 ESP Fit Center 7196 is at 4.783589 -4.035216 2.147067 ESP Fit Center 7197 is at 5.191662 -4.121955 2.147067 ESP Fit Center 7198 is at 5.608852 -4.121955 2.147067 ESP Fit Center 7199 is at 6.016925 -4.035216 2.147067 ESP Fit Center 7200 is at 6.398047 -3.865530 2.147067 ESP Fit Center 7201 is at 6.735561 -3.620312 2.147067 ESP Fit Center 7202 is at 3.281761 -2.137307 1.741866 ESP Fit Center 7203 is at 3.322467 -2.550605 1.741866 ESP Fit Center 7204 is at 3.443022 -2.948021 1.741866 ESP Fit Center 7205 is at 3.638792 -3.314281 1.741866 ESP Fit Center 7206 is at 3.902254 -3.635310 1.741866 ESP Fit Center 7207 is at 4.223284 -3.898773 1.741866 ESP Fit Center 7208 is at 4.589544 -4.094543 1.741866 ESP Fit Center 7209 is at 4.986959 -4.215097 1.741866 ESP Fit Center 7210 is at 5.400257 -4.255804 1.741866 ESP Fit Center 7211 is at 5.813555 -4.215097 1.741866 ESP Fit Center 7212 is at 6.210970 -4.094543 1.741866 ESP Fit Center 7213 is at 6.577231 -3.898773 1.741866 ESP Fit Center 7214 is at 6.898260 -3.635310 1.741866 ESP Fit Center 7215 is at 3.250038 -2.342628 1.320470 ESP Fit Center 7216 is at 3.327752 -2.745850 1.320470 ESP Fit Center 7217 is at 3.480373 -3.127077 1.320470 ESP Fit Center 7218 is at 3.702382 -3.472531 1.320470 ESP Fit Center 7219 is at 3.985758 -3.769726 1.320470 ESP Fit Center 7220 is at 4.320257 -4.007922 1.320470 ESP Fit Center 7221 is at 4.693790 -4.178509 1.320470 ESP Fit Center 7222 is at 5.092857 -4.275322 1.320470 ESP Fit Center 7223 is at 5.503034 -4.294861 1.320470 ESP Fit Center 7224 is at 5.909496 -4.236420 1.320470 ESP Fit Center 7225 is at 6.297554 -4.102112 1.320470 ESP Fit Center 7226 is at 6.653180 -3.896791 1.320470 ESP Fit Center 7227 is at 6.963523 -3.627878 1.320470 ESP Fit Center 7228 is at 3.322467 -2.550605 0.899075 ESP Fit Center 7229 is at 3.443022 -2.948021 0.899075 ESP Fit Center 7230 is at 3.638792 -3.314281 0.899075 ESP Fit Center 7231 is at 3.902254 -3.635310 0.899075 ESP Fit Center 7232 is at 4.223284 -3.898773 0.899075 ESP Fit Center 7233 is at 4.589544 -4.094543 0.899075 ESP Fit Center 7234 is at 4.986959 -4.215097 0.899075 ESP Fit Center 7235 is at 5.400257 -4.255804 0.899075 ESP Fit Center 7236 is at 5.813555 -4.215097 0.899075 ESP Fit Center 7237 is at 6.210970 -4.094543 0.899075 ESP Fit Center 7238 is at 6.577231 -3.898773 0.899075 ESP Fit Center 7239 is at 6.898260 -3.635310 0.899075 ESP Fit Center 7240 is at 3.577204 -2.948983 0.493874 ESP Fit Center 7241 is at 3.785799 -3.310280 0.493874 ESP Fit Center 7242 is at 4.064954 -3.620312 0.493874 ESP Fit Center 7243 is at 4.402467 -3.865530 0.493874 ESP Fit Center 7244 is at 4.783589 -4.035216 0.493874 ESP Fit Center 7245 is at 5.191662 -4.121955 0.493874 ESP Fit Center 7246 is at 5.608852 -4.121955 0.493874 ESP Fit Center 7247 is at 6.016925 -4.035216 0.493874 ESP Fit Center 7248 is at 6.398047 -3.865530 0.493874 ESP Fit Center 7249 is at 6.735561 -3.620312 0.493874 ESP Fit Center 7250 is at 4.502270 -3.692667 0.120439 ESP Fit Center 7251 is at 4.885166 -3.857832 0.120439 ESP Fit Center 7252 is at 5.295830 -3.930243 0.120439 ESP Fit Center 7253 is at 5.712125 -3.905997 0.120439 ESP Fit Center 7254 is at 6.111606 -3.786400 0.120439 ESP Fit Center 7255 is at 6.472739 -3.577900 0.120439 ESP Fit Center 7256 is at 5.296027 -3.661097 -0.206880 ESP Fit Center 7257 is at 5.711006 -3.632712 -0.206880 ESP Fit Center 7258 is at 6.102938 -3.493419 -0.206880 ESP Fit Center 7259 is at 6.000273 -3.176565 -0.475504 ESP Fit Center 7260 is at 5.901712 -0.658332 5.524591 ESP Fit Center 7261 is at 6.324085 -0.658332 5.491350 ESP Fit Center 7262 is at 6.112899 -0.292546 5.491350 ESP Fit Center 7263 is at 5.690526 -0.292546 5.491350 ESP Fit Center 7264 is at 5.479339 -0.658332 5.491350 ESP Fit Center 7265 is at 5.690526 -1.024118 5.491350 ESP Fit Center 7266 is at 6.624277 -0.241159 5.392444 ESP Fit Center 7267 is at 6.318885 0.064233 5.392444 ESP Fit Center 7268 is at 5.901712 0.176014 5.392444 ESP Fit Center 7269 is at 5.484539 0.064233 5.392444 ESP Fit Center 7270 is at 5.179148 -0.241159 5.392444 ESP Fit Center 7271 is at 5.067366 -0.658332 5.392444 ESP Fit Center 7272 is at 5.179148 -1.075505 5.392444 ESP Fit Center 7273 is at 5.484539 -1.380897 5.392444 ESP Fit Center 7274 is at 7.053563 -0.239093 5.230309 ESP Fit Center 7275 is at 6.840710 0.129581 5.230309 ESP Fit Center 7276 is at 6.514599 0.403220 5.230309 ESP Fit Center 7277 is at 6.114566 0.548820 5.230309 ESP Fit Center 7278 is at 5.688859 0.548820 5.230309 ESP Fit Center 7279 is at 5.288825 0.403220 5.230309 ESP Fit Center 7280 is at 4.962715 -1.446245 5.230309 ESP Fit Center 7281 is at 5.288825 -1.719884 5.230309 ESP Fit Center 7282 is at 7.276112 0.135178 5.008937 ESP Fit Center 7283 is at 7.023905 0.463861 5.008937 ESP Fit Center 7284 is at 6.695222 0.716068 5.008937 ESP Fit Center 7285 is at 6.312463 0.874612 5.008937 ESP Fit Center 7286 is at 5.901712 0.928688 5.008937 ESP Fit Center 7287 is at 5.490961 0.874612 5.008937 ESP Fit Center 7288 is at 5.108202 0.716068 5.008937 ESP Fit Center 7289 is at 5.108202 -2.032732 5.008937 ESP Fit Center 7290 is at 7.621831 0.170034 4.733779 ESP Fit Center 7291 is at 5.476878 1.202989 4.733779 ESP Fit Center 7292 is at 5.073346 1.061787 4.733779 ESP Fit Center 7293 is at 4.711353 -2.150996 4.733779 ESP Fit Center 7294 is at 5.073346 -2.378451 4.733779 ESP Fit Center 7295 is at 7.929589 0.153507 4.411611 ESP Fit Center 7296 is at 5.187283 1.405877 4.411611 ESP Fit Center 7297 is at 4.809539 1.233367 4.411611 ESP Fit Center 7298 is at 4.809539 -2.550031 4.411611 ESP Fit Center 7299 is at 8.270882 -0.240584 4.050365 ESP Fit Center 7300 is at 8.162347 0.164472 4.050365 ESP Fit Center 7301 is at 4.698853 1.425081 4.050365 ESP Fit Center 7302 is at 4.698853 -2.741745 4.050365 ESP Fit Center 7303 is at 5.078908 -2.918967 4.050365 ESP Fit Center 7304 is at 8.434543 -0.235677 3.658937 ESP Fit Center 7305 is at 4.870218 1.693239 3.658937 ESP Fit Center 7306 is at 4.497230 1.491388 3.658937 ESP Fit Center 7307 is at 4.497230 -2.808052 3.658937 ESP Fit Center 7308 is at 4.870218 -3.009903 3.658937 ESP Fit Center 7309 is at 5.271342 -3.147609 3.658937 ESP Fit Center 7310 is at 8.568471 -0.658332 3.246964 ESP Fit Center 7311 is at 8.535639 -0.241159 3.246964 ESP Fit Center 7312 is at 4.691029 1.717767 3.246964 ESP Fit Center 7313 is at 4.334231 1.499121 3.246964 ESP Fit Center 7314 is at 4.334231 -2.815785 3.246964 ESP Fit Center 7315 is at 4.691029 -3.034431 3.246964 ESP Fit Center 7316 is at 5.077639 -3.194570 3.246964 ESP Fit Center 7317 is at 5.484539 -3.292258 3.246964 ESP Fit Center 7318 is at 8.601712 -0.658332 2.824591 ESP Fit Center 7319 is at 8.570069 -0.246179 2.824591 ESP Fit Center 7320 is at 4.434080 1.607955 2.824591 ESP Fit Center 7321 is at 8.570069 -1.070485 2.824591 ESP Fit Center 7322 is at 8.568471 -0.658332 2.402218 ESP Fit Center 7323 is at 8.535639 -0.241159 2.402218 ESP Fit Center 7324 is at 8.535639 -1.075505 2.402218 ESP Fit Center 7325 is at 8.330432 0.175448 1.990245 ESP Fit Center 7326 is at 4.878956 -0.609028 5.384519 ESP Fit Center 7327 is at 4.668259 -0.244089 5.343016 ESP Fit Center 7328 is at 4.457561 -0.609028 5.343016 ESP Fit Center 7329 is at 4.668259 -0.973967 5.343016 ESP Fit Center 7330 is at 4.878956 0.217568 5.220099 ESP Fit Center 7331 is at 4.465658 0.106826 5.220099 ESP Fit Center 7332 is at 4.163103 -0.195730 5.220099 ESP Fit Center 7333 is at 4.052360 -0.609028 5.220099 ESP Fit Center 7334 is at 4.163103 -1.022326 5.220099 ESP Fit Center 7335 is at 4.465658 -1.324881 5.220099 ESP Fit Center 7336 is at 4.878956 -1.435624 5.220099 ESP Fit Center 7337 is at 4.670573 0.572773 5.020494 ESP Fit Center 7338 is at 4.278941 0.430230 5.020494 ESP Fit Center 7339 is at 3.959679 0.162338 5.020494 ESP Fit Center 7340 is at 3.751296 -0.198593 5.020494 ESP Fit Center 7341 is at 3.678925 -0.609028 5.020494 ESP Fit Center 7342 is at 3.751296 -1.019463 5.020494 ESP Fit Center 7343 is at 3.959679 -1.380393 5.020494 ESP Fit Center 7344 is at 4.278941 -1.648286 5.020494 ESP Fit Center 7345 is at 4.670573 -1.790828 5.020494 ESP Fit Center 7346 is at 4.774726 0.914762 4.751870 ESP Fit Center 7347 is at 4.367478 0.830135 4.751870 ESP Fit Center 7348 is at 3.998163 0.638772 4.751870 ESP Fit Center 7349 is at 3.694173 0.354865 4.751870 ESP Fit Center 7350 is at 3.478053 -0.000530 4.751870 ESP Fit Center 7351 is at 3.365832 -0.401054 4.751870 ESP Fit Center 7352 is at 3.365832 -0.817002 4.751870 ESP Fit Center 7353 is at 3.478053 -1.217526 4.751870 ESP Fit Center 7354 is at 3.694173 -1.572920 4.751870 ESP Fit Center 7355 is at 3.998163 -1.856827 4.751870 ESP Fit Center 7356 is at 4.367478 -2.048191 4.751870 ESP Fit Center 7357 is at 4.363865 1.111497 4.424551 ESP Fit Center 7358 is at 3.980969 0.946332 4.424551 ESP Fit Center 7359 is at 3.646484 0.697317 4.424551 ESP Fit Center 7360 is at 3.378442 0.377876 4.424551 ESP Fit Center 7361 is at 3.191293 0.005232 4.424551 ESP Fit Center 7362 is at 3.095126 -0.400528 4.424551 ESP Fit Center 7363 is at 3.095126 -0.817528 4.424551 ESP Fit Center 7364 is at 3.191293 -1.223287 4.424551 ESP Fit Center 7365 is at 3.378442 -1.595932 4.424551 ESP Fit Center 7366 is at 3.646484 -1.915372 4.424551 ESP Fit Center 7367 is at 3.980969 -2.164387 4.424551 ESP Fit Center 7368 is at 4.363865 -2.329552 4.424551 ESP Fit Center 7369 is at 4.262288 1.288881 4.051116 ESP Fit Center 7370 is at 3.881167 1.119195 4.051116 ESP Fit Center 7371 is at 3.543653 0.873977 4.051116 ESP Fit Center 7372 is at 3.264498 0.563945 4.051116 ESP Fit Center 7373 is at 3.055904 0.202648 4.051116 ESP Fit Center 7374 is at 2.926985 -0.194123 4.051116 ESP Fit Center 7375 is at 2.883377 -0.609028 4.051116 ESP Fit Center 7376 is at 2.926985 -1.023932 4.051116 ESP Fit Center 7377 is at 3.055904 -1.420703 4.051116 ESP Fit Center 7378 is at 3.264498 -1.782000 4.051116 ESP Fit Center 7379 is at 3.543653 -2.092033 4.051116 ESP Fit Center 7380 is at 3.881167 -2.337251 4.051116 ESP Fit Center 7381 is at 4.262288 -2.506937 4.051116 ESP Fit Center 7382 is at 4.068243 1.348208 3.645914 ESP Fit Center 7383 is at 3.701983 1.152437 3.645914 ESP Fit Center 7384 is at 3.380953 0.888975 3.645914 ESP Fit Center 7385 is at 3.117491 0.567946 3.645914 ESP Fit Center 7386 is at 2.921721 0.201686 3.645914 ESP Fit Center 7387 is at 2.801167 -0.195730 3.645914 ESP Fit Center 7388 is at 2.760460 -0.609028 3.645914 ESP Fit Center 7389 is at 2.801167 -1.022326 3.645914 ESP Fit Center 7390 is at 2.921721 -1.419741 3.645914 ESP Fit Center 7391 is at 3.117491 -1.786001 3.645914 ESP Fit Center 7392 is at 3.380953 -2.107031 3.645914 ESP Fit Center 7393 is at 3.701983 -2.370493 3.645914 ESP Fit Center 7394 is at 4.068243 -2.566263 3.645914 ESP Fit Center 7395 is at 4.172490 1.432174 3.224519 ESP Fit Center 7396 is at 3.798956 1.261587 3.224519 ESP Fit Center 7397 is at 3.464457 1.023391 3.224519 ESP Fit Center 7398 is at 3.181082 0.726196 3.224519 ESP Fit Center 7399 is at 2.959072 0.380742 3.224519 ESP Fit Center 7400 is at 2.806452 -0.000485 3.224519 ESP Fit Center 7401 is at 2.728737 -0.403707 3.224519 ESP Fit Center 7402 is at 2.728737 -0.814349 3.224519 ESP Fit Center 7403 is at 2.806452 -1.217570 3.224519 ESP Fit Center 7404 is at 2.959072 -1.598797 3.224519 ESP Fit Center 7405 is at 3.181082 -1.944251 3.224519 ESP Fit Center 7406 is at 3.464457 -2.241447 3.224519 ESP Fit Center 7407 is at 3.798956 -2.479643 3.224519 ESP Fit Center 7408 is at 4.068243 1.348208 2.803124 ESP Fit Center 7409 is at 3.701983 1.152437 2.803124 ESP Fit Center 7410 is at 3.380953 0.888975 2.803124 ESP Fit Center 7411 is at 3.117491 0.567946 2.803124 ESP Fit Center 7412 is at 2.921721 0.201686 2.803124 ESP Fit Center 7413 is at 2.801167 -0.195730 2.803124 ESP Fit Center 7414 is at 2.760460 -0.609028 2.803124 ESP Fit Center 7415 is at 2.801167 -1.022326 2.803124 ESP Fit Center 7416 is at 2.921721 -1.419741 2.803124 ESP Fit Center 7417 is at 3.117491 -1.786001 2.803124 ESP Fit Center 7418 is at 3.380953 -2.107031 2.803124 ESP Fit Center 7419 is at 3.701983 -2.370493 2.803124 ESP Fit Center 7420 is at 3.055904 -1.420703 2.397923 ESP Fit Center 7421 is at 3.264498 -1.782000 2.397923 ESP Fit Center 7422 is at 7.076665 0.753328 4.862821 ESP Fit Center 7423 is at 6.774110 1.055883 4.862821 ESP Fit Center 7424 is at 6.360812 1.166626 4.862821 ESP Fit Center 7425 is at 7.488473 0.750465 4.663216 ESP Fit Center 7426 is at 7.280089 1.111395 4.663216 ESP Fit Center 7427 is at 6.960828 1.379288 4.663216 ESP Fit Center 7428 is at 6.569195 1.521830 4.663216 ESP Fit Center 7429 is at 6.152428 1.521830 4.663216 ESP Fit Center 7430 is at 5.760796 1.379288 4.663216 ESP Fit Center 7431 is at 7.888162 0.340030 4.394592 ESP Fit Center 7432 is at 7.831524 0.752104 4.394592 ESP Fit Center 7433 is at 7.665810 1.133617 4.394592 ESP Fit Center 7434 is at 7.403310 1.456273 4.394592 ESP Fit Center 7435 is at 7.063492 1.696142 4.394592 ESP Fit Center 7436 is at 6.671560 1.835435 4.394592 ESP Fit Center 7437 is at 6.256582 1.863820 4.394592 ESP Fit Center 7438 is at 5.849333 1.779193 4.394592 ESP Fit Center 7439 is at 5.480019 1.587829 4.394592 ESP Fit Center 7440 is at 8.156786 0.340030 4.067273 ESP Fit Center 7441 is at 8.108375 0.754210 4.067273 ESP Fit Center 7442 is at 7.965753 1.146062 4.067273 ESP Fit Center 7443 is at 7.736608 1.494460 4.067273 ESP Fit Center 7444 is at 7.433293 1.780623 4.067273 ESP Fit Center 7445 is at 7.072161 1.989123 4.067273 ESP Fit Center 7446 is at 6.672679 2.108719 4.067273 ESP Fit Center 7447 is at 6.256385 2.132966 4.067273 ESP Fit Center 7448 is at 5.845721 2.060555 4.067273 ESP Fit Center 7449 is at 5.462825 1.895389 4.067273 ESP Fit Center 7450 is at 5.128339 1.646374 4.067273 ESP Fit Center 7451 is at 8.356392 0.340030 3.693838 ESP Fit Center 7452 is at 8.312783 0.754934 3.693838 ESP Fit Center 7453 is at 8.183865 1.151705 3.693838 ESP Fit Center 7454 is at 7.975270 1.513002 3.693838 ESP Fit Center 7455 is at 7.696115 1.823035 3.693838 ESP Fit Center 7456 is at 7.358602 2.068253 3.693838 ESP Fit Center 7457 is at 6.977480 2.237939 3.693838 ESP Fit Center 7458 is at 6.569407 2.324678 3.693838 ESP Fit Center 7459 is at 6.152217 2.324678 3.693838 ESP Fit Center 7460 is at 5.744144 2.237939 3.693838 ESP Fit Center 7461 is at 5.363022 2.068253 3.693838 ESP Fit Center 7462 is at 5.025508 1.823035 3.693838 ESP Fit Center 7463 is at 8.479308 0.340030 3.288637 ESP Fit Center 7464 is at 8.438602 0.753328 3.288637 ESP Fit Center 7465 is at 8.318047 1.150743 3.288637 ESP Fit Center 7466 is at 8.122277 1.517003 3.288637 ESP Fit Center 7467 is at 7.858815 1.838033 3.288637 ESP Fit Center 7468 is at 7.537785 2.101495 3.288637 ESP Fit Center 7469 is at 7.171525 2.297265 3.288637 ESP Fit Center 7470 is at 6.774110 2.417820 3.288637 ESP Fit Center 7471 is at 6.360812 2.458526 3.288637 ESP Fit Center 7472 is at 5.947514 2.417820 3.288637 ESP Fit Center 7473 is at 5.550098 2.297265 3.288637 ESP Fit Center 7474 is at 5.183838 2.101495 3.288637 ESP Fit Center 7475 is at 4.862809 1.838033 3.288637 ESP Fit Center 7476 is at 8.520812 0.340030 2.867242 ESP Fit Center 7477 is at 8.481778 0.748813 2.867242 ESP Fit Center 7478 is at 8.366086 1.142821 2.867242 ESP Fit Center 7479 is at 8.177919 1.507814 2.867242 ESP Fit Center 7480 is at 7.924077 1.830601 2.867242 ESP Fit Center 7481 is at 7.613735 2.099514 2.867242 ESP Fit Center 7482 is at 7.258108 2.304835 2.867242 ESP Fit Center 7483 is at 6.870051 2.439143 2.867242 ESP Fit Center 7484 is at 6.463589 2.497583 2.867242 ESP Fit Center 7485 is at 6.053412 2.478044 2.867242 ESP Fit Center 7486 is at 5.654345 2.381232 2.867242 ESP Fit Center 7487 is at 5.280812 2.210645 2.867242 ESP Fit Center 7488 is at 4.946313 1.972449 2.867242 ESP Fit Center 7489 is at 8.479308 0.340030 2.445847 ESP Fit Center 7490 is at 8.438602 0.753328 2.445847 ESP Fit Center 7491 is at 8.318047 1.150743 2.445847 ESP Fit Center 7492 is at 8.122277 1.517003 2.445847 ESP Fit Center 7493 is at 7.858815 1.838033 2.445847 ESP Fit Center 7494 is at 7.537785 2.101495 2.445847 ESP Fit Center 7495 is at 7.171525 2.297265 2.445847 ESP Fit Center 7496 is at 6.774110 2.417820 2.445847 ESP Fit Center 7497 is at 6.360812 2.458526 2.445847 ESP Fit Center 7498 is at 5.947514 2.417820 2.445847 ESP Fit Center 7499 is at 5.550098 2.297265 2.445847 ESP Fit Center 7500 is at 5.183838 2.101495 2.445847 ESP Fit Center 7501 is at 4.862809 1.838033 2.445847 ESP Fit Center 7502 is at 8.356392 0.340030 2.040645 ESP Fit Center 7503 is at 8.312783 0.754934 2.040645 ESP Fit Center 7504 is at 8.183865 1.151705 2.040645 ESP Fit Center 7505 is at 7.975270 1.513002 2.040645 ESP Fit Center 7506 is at 7.696115 1.823035 2.040645 ESP Fit Center 7507 is at 7.358602 2.068253 2.040645 ESP Fit Center 7508 is at 6.977480 2.237939 2.040645 ESP Fit Center 7509 is at 6.569407 2.324678 2.040645 ESP Fit Center 7510 is at 6.152217 2.324678 2.040645 ESP Fit Center 7511 is at 8.108375 0.754210 1.667210 ESP Fit Center 7512 is at 7.965753 1.146062 1.667210 ESP Fit Center 7513 is at 7.736608 1.494460 1.667210 ESP Fit Center 7514 is at 7.433293 1.780623 1.667210 ESP Fit Center 7515 is at 7.072161 1.989123 1.667210 ESP Fit Center 7516 is at 7.831524 0.752104 1.339891 ESP Fit Center 7517 is at 7.665810 1.133617 1.339891 ESP Fit Center 7518 is at 6.496547 -1.361636 5.585229 ESP Fit Center 7519 is at 6.917942 -1.361636 5.543725 ESP Fit Center 7520 is at 6.707244 -0.996697 5.543725 ESP Fit Center 7521 is at 6.285849 -0.996697 5.543725 ESP Fit Center 7522 is at 6.075151 -1.361636 5.543725 ESP Fit Center 7523 is at 6.285849 -1.726575 5.543725 ESP Fit Center 7524 is at 6.707244 -1.726575 5.543725 ESP Fit Center 7525 is at 7.323143 -1.361636 5.420809 ESP Fit Center 7526 is at 7.212400 -0.948338 5.420809 ESP Fit Center 7527 is at 6.909845 -0.645782 5.420809 ESP Fit Center 7528 is at 5.780693 -1.774934 5.420809 ESP Fit Center 7529 is at 6.083248 -2.077489 5.420809 ESP Fit Center 7530 is at 6.496547 -2.188232 5.420809 ESP Fit Center 7531 is at 6.909845 -2.077489 5.420809 ESP Fit Center 7532 is at 7.212400 -1.774934 5.420809 ESP Fit Center 7533 is at 7.696578 -1.361636 5.221204 ESP Fit Center 7534 is at 7.624207 -0.951201 5.221204 ESP Fit Center 7535 is at 7.415824 -0.590270 5.221204 ESP Fit Center 7536 is at 5.577269 -2.133001 5.221204 ESP Fit Center 7537 is at 5.896531 -2.400894 5.221204 ESP Fit Center 7538 is at 6.288163 -2.543436 5.221204 ESP Fit Center 7539 is at 6.704930 -2.543436 5.221204 ESP Fit Center 7540 is at 7.096562 -2.400894 5.221204 ESP Fit Center 7541 is at 7.415824 -2.133001 5.221204 ESP Fit Center 7542 is at 7.624207 -1.772071 5.221204 ESP Fit Center 7543 is at 8.023897 -1.361636 4.952580 ESP Fit Center 7544 is at 7.967259 -0.949561 4.952580 ESP Fit Center 7545 is at 7.801545 -0.568049 4.952580 ESP Fit Center 7546 is at 7.539045 -0.245393 4.952580 ESP Fit Center 7547 is at 5.311763 -2.325528 4.952580 ESP Fit Center 7548 is at 5.615753 -2.609435 4.952580 ESP Fit Center 7549 is at 5.985068 -2.800799 4.952580 ESP Fit Center 7550 is at 6.392316 -2.885426 4.952580 ESP Fit Center 7551 is at 6.807295 -2.857040 4.952580 ESP Fit Center 7552 is at 7.199227 -2.717748 4.952580 ESP Fit Center 7553 is at 7.539045 -2.477879 4.952580 ESP Fit Center 7554 is at 7.801545 -2.155223 4.952580 ESP Fit Center 7555 is at 7.967259 -1.773710 4.952580 ESP Fit Center 7556 is at 8.292521 -1.361636 4.625261 ESP Fit Center 7557 is at 8.244110 -0.947456 4.625261 ESP Fit Center 7558 is at 8.101488 -0.555604 4.625261 ESP Fit Center 7559 is at 7.872343 -0.207206 4.625261 ESP Fit Center 7560 is at 5.264074 -2.667980 4.625261 ESP Fit Center 7561 is at 5.598559 -2.916995 4.625261 ESP Fit Center 7562 is at 5.981455 -3.082160 4.625261 ESP Fit Center 7563 is at 6.392120 -3.154572 4.625261 ESP Fit Center 7564 is at 6.808414 -3.130325 4.625261 ESP Fit Center 7565 is at 7.207896 -3.010728 4.625261 ESP Fit Center 7566 is at 7.569028 -2.802228 4.625261 ESP Fit Center 7567 is at 7.872343 -2.516066 4.625261 ESP Fit Center 7568 is at 8.101488 -2.167668 4.625261 ESP Fit Center 7569 is at 8.244110 -1.775816 4.625261 ESP Fit Center 7570 is at 8.492126 -1.361636 4.251825 ESP Fit Center 7571 is at 8.448518 -0.946731 4.251825 ESP Fit Center 7572 is at 8.319599 -0.549960 4.251825 ESP Fit Center 7573 is at 5.161243 -2.844641 4.251825 ESP Fit Center 7574 is at 5.498757 -3.089859 4.251825 ESP Fit Center 7575 is at 5.879878 -3.259545 4.251825 ESP Fit Center 7576 is at 6.287952 -3.346284 4.251825 ESP Fit Center 7577 is at 6.705141 -3.346284 4.251825 ESP Fit Center 7578 is at 7.113215 -3.259545 4.251825 ESP Fit Center 7579 is at 7.494336 -3.089859 4.251825 ESP Fit Center 7580 is at 7.831850 -2.844641 4.251825 ESP Fit Center 7581 is at 8.111005 -2.534608 4.251825 ESP Fit Center 7582 is at 8.319599 -2.173311 4.251825 ESP Fit Center 7583 is at 8.448518 -1.776540 4.251825 ESP Fit Center 7584 is at 8.615043 -1.361636 3.846624 ESP Fit Center 7585 is at 8.574336 -0.948338 3.846624 ESP Fit Center 7586 is at 8.453782 -0.550922 3.846624 ESP Fit Center 7587 is at 5.319573 -3.123101 3.846624 ESP Fit Center 7588 is at 5.685833 -3.318871 3.846624 ESP Fit Center 7589 is at 6.083248 -3.439426 3.846624 ESP Fit Center 7590 is at 6.496547 -3.480132 3.846624 ESP Fit Center 7591 is at 6.909845 -3.439426 3.846624 ESP Fit Center 7592 is at 7.307260 -3.318871 3.846624 ESP Fit Center 7593 is at 7.673520 -3.123101 3.846624 ESP Fit Center 7594 is at 7.994550 -2.859639 3.846624 ESP Fit Center 7595 is at 8.258012 -2.538609 3.846624 ESP Fit Center 7596 is at 8.453782 -2.172349 3.846624 ESP Fit Center 7597 is at 8.574336 -1.774934 3.846624 ESP Fit Center 7598 is at 8.656547 -1.361636 3.425229 ESP Fit Center 7599 is at 8.617513 -0.952853 3.425229 ESP Fit Center 7600 is at 5.790080 -3.402838 3.425229 ESP Fit Center 7601 is at 6.189147 -3.499650 3.425229 ESP Fit Center 7602 is at 6.599323 -3.519189 3.425229 ESP Fit Center 7603 is at 7.005786 -3.460749 3.425229 ESP Fit Center 7604 is at 7.393843 -3.326441 3.425229 ESP Fit Center 7605 is at 7.749469 -3.121120 3.425229 ESP Fit Center 7606 is at 8.059812 -2.852206 3.425229 ESP Fit Center 7607 is at 8.313654 -2.529420 3.425229 ESP Fit Center 7608 is at 8.501821 -2.164427 3.425229 ESP Fit Center 7609 is at 8.617513 -1.770418 3.425229 ESP Fit Center 7610 is at 8.615043 -1.361636 3.003834 ESP Fit Center 7611 is at 6.083248 -3.439426 3.003834 ESP Fit Center 7612 is at 6.496547 -3.480132 3.003834 ESP Fit Center 7613 is at 6.909845 -3.439426 3.003834 ESP Fit Center 7614 is at 7.307260 -3.318871 3.003834 ESP Fit Center 7615 is at 7.673520 -3.123101 3.003834 ESP Fit Center 7616 is at 7.994550 -2.859639 3.003834 ESP Fit Center 7617 is at 8.258012 -2.538609 3.003834 ESP Fit Center 7618 is at 8.453782 -2.172349 3.003834 ESP Fit Center 7619 is at 8.574336 -1.774934 3.003834 ESP Fit Center 7620 is at 7.113215 -3.259545 2.598633 ESP Fit Center 7621 is at 7.494336 -3.089859 2.598633 ESP Fit Center 7622 is at 7.831850 -2.844641 2.598633 ESP Fit Center 7623 is at 8.111005 -2.534608 2.598633 ESP Fit Center 7624 is at 8.319599 -2.173311 2.598633 ESP Fit Center 7625 is at 8.448518 -1.776540 2.598633 ESP Fit Center 7626 is at -4.244597 -1.629312 3.255853 ESP Fit Center 7627 is at -3.836098 -1.629312 3.227911 ESP Fit Center 7628 is at -4.040348 -1.275540 3.227911 ESP Fit Center 7629 is at -4.040348 -1.983083 3.227911 ESP Fit Center 7630 is at -7.379828 -1.035711 0.233524 ESP Fit Center 7631 is at -7.477402 -1.442138 0.233524 ESP Fit Center 7632 is at -7.510196 -1.858826 0.233524 ESP Fit Center 7633 is at -7.477402 -2.275513 0.233524 ESP Fit Center 7634 is at -7.605695 -1.244198 -0.142032 ESP Fit Center 7635 is at -7.665783 -1.652484 -0.142032 ESP Fit Center 7636 is at -7.665783 -2.065167 -0.142032 ESP Fit Center 7637 is at -7.719607 -1.248136 -0.536303 ESP Fit Center 7638 is at -7.776638 -1.653933 -0.536303 ESP Fit Center 7639 is at -7.776638 -2.063718 -0.536303 ESP Fit Center 7640 is at -7.832256 -1.650044 -0.941943 ESP Fit Center 7641 is at -7.832256 -2.067607 -0.941943 ESP Fit Center 7642 is at -7.832256 -1.650044 -1.351398 ESP Fit Center 7643 is at -7.832256 -2.067607 -1.351398 ESP Fit Center 7644 is at -7.776638 -1.653933 -1.757039 ESP Fit Center 7645 is at -7.776638 -2.063718 -1.757039 ESP Fit Center 7646 is at -3.938880 -4.652318 -1.757039 ESP Fit Center 7647 is at -3.558934 -4.498810 -1.757039 ESP Fit Center 7648 is at -3.204050 -4.293918 -1.757039 ESP Fit Center 7649 is at -7.665783 -2.065167 -2.151310 ESP Fit Center 7650 is at -4.131553 -4.593692 -2.151310 ESP Fit Center 7651 is at -3.740973 -4.460444 -2.151310 ESP Fit Center 7652 is at -3.373956 -4.271748 -2.151310 ESP Fit Center 7653 is at -4.023426 0.674462 -2.526866 ESP Fit Center 7654 is at -7.510196 -1.858826 -2.526866 ESP Fit Center 7655 is at -7.477402 -2.275513 -2.526866 ESP Fit Center 7656 is at -4.429853 -4.489687 -2.526866 ESP Fit Center 7657 is at -4.023426 -4.392113 -2.526866 ESP Fit Center 7658 is at -3.561511 0.228195 -2.876712 ESP Fit Center 7659 is at -3.932703 0.415347 -2.876712 ESP Fit Center 7660 is at -4.330185 0.537074 -2.876712 ESP Fit Center 7661 is at -7.288621 -1.650974 -2.876712 ESP Fit Center 7662 is at -7.288621 -2.066677 -2.876712 ESP Fit Center 7663 is at -7.218367 -2.476401 -2.876712 ESP Fit Center 7664 is at -4.742521 -4.307527 -2.876712 ESP Fit Center 7665 is at -4.330185 -4.254725 -2.876712 ESP Fit Center 7666 is at -3.935740 0.135550 -3.194330 ESP Fit Center 7667 is at -4.329637 0.271879 -3.194330 ESP Fit Center 7668 is at -7.029121 -1.650414 -3.194330 ESP Fit Center 7669 is at -7.029121 -2.067237 -3.194330 ESP Fit Center 7670 is at -6.950237 -2.476526 -3.194330 ESP Fit Center 7671 is at -6.795320 -2.863491 -3.194330 ESP Fit Center 7672 is at -5.158567 -4.029017 -3.194330 ESP Fit Center 7673 is at -4.742217 -4.048850 -3.194330 ESP Fit Center 7674 is at -4.329637 -3.989530 -3.194330 ESP Fit Center 7675 is at -4.340039 -0.034571 -3.473805 ESP Fit Center 7676 is at -4.744042 0.031662 -3.473805 ESP Fit Center 7677 is at -6.728706 -1.654128 -3.473805 ESP Fit Center 7678 is at -6.728706 -2.063523 -3.473805 ESP Fit Center 7679 is at -6.640698 -2.463348 -3.473805 ESP Fit Center 7680 is at -6.468798 -2.834905 -3.473805 ESP Fit Center 7681 is at -6.221042 -3.160822 -3.473805 ESP Fit Center 7682 is at -5.909016 -3.425859 -3.473805 ESP Fit Center 7683 is at -5.547310 -3.617624 -3.473805 ESP Fit Center 7684 is at -5.152837 -3.727148 -3.473805 ESP Fit Center 7685 is at -4.744042 -3.749313 -3.473805 ESP Fit Center 7686 is at -4.529403 -0.332676 -3.709929 ESP Fit Center 7687 is at -4.952914 -0.303707 -3.709929 ESP Fit Center 7688 is at -6.276246 -1.237817 -3.709929 ESP Fit Center 7689 is at -6.390774 -1.646575 -3.709929 ESP Fit Center 7690 is at -6.390774 -2.071076 -3.709929 ESP Fit Center 7691 is at -6.276246 -2.479834 -3.709929 ESP Fit Center 7692 is at -6.055682 -2.842535 -3.709929 ESP Fit Center 7693 is at -5.745442 -3.132279 -3.709929 ESP Fit Center 7694 is at -5.368535 -3.327576 -3.709929 ESP Fit Center 7695 is at -4.952914 -3.413944 -3.709929 ESP Fit Center 7696 is at -4.638996 -0.681780 -3.898305 ESP Fit Center 7697 is at -5.054086 -0.681780 -3.898305 ESP Fit Center 7698 is at -5.444142 -0.823749 -3.898305 ESP Fit Center 7699 is at -5.762120 -1.090564 -3.898305 ESP Fit Center 7700 is at -5.969665 -1.450042 -3.898305 ESP Fit Center 7701 is at -6.041744 -1.858826 -3.898305 ESP Fit Center 7702 is at -5.969665 -2.267609 -3.898305 ESP Fit Center 7703 is at -5.762120 -2.627087 -3.898305 ESP Fit Center 7704 is at -5.444142 -2.893902 -3.898305 ESP Fit Center 7705 is at -5.054086 -3.035871 -3.898305 ESP Fit Center 7706 is at -4.846541 -1.049435 -4.035423 ESP Fit Center 7707 is at -5.251236 -1.157873 -4.035423 ESP Fit Center 7708 is at -5.547493 -1.454130 -4.035423 ESP Fit Center 7709 is at -5.655931 -1.858826 -4.035423 ESP Fit Center 7710 is at -5.547493 -2.263521 -4.035423 ESP Fit Center 7711 is at -5.251236 -2.559778 -4.035423 ESP Fit Center 7712 is at -4.846541 -2.668216 -4.035423 ESP Fit Center 7713 is at -5.050791 -1.505054 -4.118729 ESP Fit Center 7714 is at -5.255041 -1.858826 -4.118729 ESP Fit Center 7715 is at -5.050791 -2.212597 -4.118729 ESP Fit Center 7716 is at -4.846541 -1.858826 -4.146671 ESP Fit Center 7717 is at -3.414699 -2.722737 3.395685 ESP Fit Center 7718 is at -2.997380 -2.722737 3.364411 ESP Fit Center 7719 is at -3.206040 -2.361329 3.364411 ESP Fit Center 7720 is at -3.623358 -2.361329 3.364411 ESP Fit Center 7721 is at -3.832017 -2.722737 3.364411 ESP Fit Center 7722 is at -3.623358 -3.084145 3.364411 ESP Fit Center 7723 is at -3.206040 -3.084145 3.364411 ESP Fit Center 7724 is at -2.589384 -2.722737 3.271289 ESP Fit Center 7725 is at -2.699955 -2.310080 3.271289 ESP Fit Center 7726 is at -3.002042 -2.007994 3.271289 ESP Fit Center 7727 is at -3.414699 -1.897422 3.271289 ESP Fit Center 7728 is at -3.827356 -2.007994 3.271289 ESP Fit Center 7729 is at -4.129442 -2.310080 3.271289 ESP Fit Center 7730 is at -4.240013 -2.722737 3.271289 ESP Fit Center 7731 is at -4.129442 -3.135394 3.271289 ESP Fit Center 7732 is at -3.827356 -3.437480 3.271289 ESP Fit Center 7733 is at -3.414699 -3.548051 3.271289 ESP Fit Center 7734 is at -3.002042 -3.437480 3.271289 ESP Fit Center 7735 is at -2.699955 -3.135394 3.271289 ESP Fit Center 7736 is at -2.199824 -2.722737 3.118398 ESP Fit Center 7737 is at -2.273090 -2.307225 3.118398 ESP Fit Center 7738 is at -2.484051 -1.941831 3.118398 ESP Fit Center 7739 is at -2.807262 -1.670625 3.118398 ESP Fit Center 7740 is at -3.203738 -1.526319 3.118398 ESP Fit Center 7741 is at -4.629573 -2.722737 3.118398 ESP Fit Center 7742 is at -4.556307 -3.138249 3.118398 ESP Fit Center 7743 is at -4.345347 -3.503643 3.118398 ESP Fit Center 7744 is at -4.022136 -3.774849 3.118398 ESP Fit Center 7745 is at -3.625660 -3.919155 3.118398 ESP Fit Center 7746 is at -3.203738 -3.919155 3.118398 ESP Fit Center 7747 is at -2.807262 -3.774849 3.118398 ESP Fit Center 7748 is at -2.484051 -3.503643 3.118398 ESP Fit Center 7749 is at -2.273090 -3.138249 3.118398 ESP Fit Center 7750 is at -1.837403 -2.722737 2.909154 ESP Fit Center 7751 is at -1.891148 -2.314503 2.909154 ESP Fit Center 7752 is at -2.048720 -1.934089 2.909154 ESP Fit Center 7753 is at -2.299382 -1.607420 2.909154 ESP Fit Center 7754 is at -4.938250 -3.130971 2.909154 ESP Fit Center 7755 is at -4.780677 -3.511385 2.909154 ESP Fit Center 7756 is at -3.414699 -4.300033 2.909154 ESP Fit Center 7757 is at -3.006465 -4.246288 2.909154 ESP Fit Center 7758 is at -2.626051 -4.088716 2.909154 ESP Fit Center 7759 is at -2.299382 -3.838054 2.909154 ESP Fit Center 7760 is at -2.048720 -3.511385 2.909154 ESP Fit Center 7761 is at -1.891148 -3.130971 2.909154 ESP Fit Center 7762 is at -1.510215 -2.722737 2.648230 ESP Fit Center 7763 is at -1.554741 -2.313329 2.648230 ESP Fit Center 7764 is at -1.686236 -1.923065 2.648230 ESP Fit Center 7765 is at -2.905195 -4.557802 2.648230 ESP Fit Center 7766 is at -2.522623 -4.405371 2.648230 ESP Fit Center 7767 is at -2.181762 -4.174262 2.648230 ESP Fit Center 7768 is at -1.898553 -3.875281 2.648230 ESP Fit Center 7769 is at -1.686236 -3.522409 2.648230 ESP Fit Center 7770 is at -1.554741 -3.132145 2.648230 ESP Fit Center 7771 is at -1.225571 -2.722737 2.341456 ESP Fit Center 7772 is at -1.265131 -2.308442 2.341456 ESP Fit Center 7773 is at -2.898592 -4.850157 2.341456 ESP Fit Center 7774 is at -2.505302 -4.714038 2.341456 ESP Fit Center 7775 is at -2.144880 -4.505948 2.341456 ESP Fit Center 7776 is at -1.830352 -4.233408 2.341456 ESP Fit Center 7777 is at -1.573087 -3.906269 2.341456 ESP Fit Center 7778 is at -1.382382 -3.536354 2.341456 ESP Fit Center 7779 is at -1.265131 -3.137032 2.341456 ESP Fit Center 7780 is at -0.989828 -2.722737 1.995685 ESP Fit Center 7781 is at -1.024707 -2.312932 1.995685 ESP Fit Center 7782 is at -2.510570 -4.972748 1.995685 ESP Fit Center 7783 is at -2.143321 -4.787585 1.995685 ESP Fit Center 7784 is at -1.812648 -4.543021 1.995685 ESP Fit Center 7785 is at -1.528062 -4.246090 1.995685 ESP Fit Center 7786 is at -1.297752 -3.905334 1.995685 ESP Fit Center 7787 is at -1.128342 -3.530558 1.995685 ESP Fit Center 7788 is at -1.024707 -3.132542 1.995685 ESP Fit Center 7789 is at -0.808252 -2.722737 1.618640 ESP Fit Center 7790 is at -2.231397 -5.045098 1.618640 ESP Fit Center 7791 is at -1.882668 -4.831396 1.618640 ESP Fit Center 7792 is at -1.571663 -4.565773 1.618640 ESP Fit Center 7793 is at -1.306039 -4.254768 1.618640 ESP Fit Center 7794 is at -1.092338 -3.906039 1.618640 ESP Fit Center 7795 is at -0.935821 -3.528173 1.618640 ESP Fit Center 7796 is at -0.840342 -3.130475 1.618640 ESP Fit Center 7797 is at -2.110620 -5.120898 1.218744 ESP Fit Center 7798 is at -1.759826 -4.893726 1.218744 ESP Fit Center 7799 is at -1.447820 -4.615668 1.218744 ESP Fit Center 7800 is at -1.181917 -4.293241 1.218744 ESP Fit Center 7801 is at -0.968348 -3.934003 1.218744 ESP Fit Center 7802 is at -0.812119 -3.546373 1.218744 ESP Fit Center 7803 is at -0.716893 -3.139439 1.218744 ESP Fit Center 7804 is at -2.018613 -5.140828 0.804929 ESP Fit Center 7805 is at -1.673809 -4.905744 0.804929 ESP Fit Center 7806 is at -1.367893 -4.621895 0.804929 ESP Fit Center 7807 is at -1.107699 -4.295623 0.804929 ESP Fit Center 7808 is at -0.899040 -3.934214 0.804929 ESP Fit Center 7809 is at -0.746576 -3.545744 0.804929 ESP Fit Center 7810 is at -2.018613 -5.140828 0.386441 ESP Fit Center 7811 is at -1.673809 -4.905744 0.386441 ESP Fit Center 7812 is at -1.367893 -4.621895 0.386441 ESP Fit Center 7813 is at -1.107699 -4.295623 0.386441 ESP Fit Center 7814 is at -0.899040 -3.934214 0.386441 ESP Fit Center 7815 is at -0.746576 -3.545744 0.386441 ESP Fit Center 7816 is at -2.110620 -5.120898 -0.027374 ESP Fit Center 7817 is at -1.759826 -4.893726 -0.027374 ESP Fit Center 7818 is at -1.447820 -4.615668 -0.027374 ESP Fit Center 7819 is at -1.181917 -4.293241 -0.027374 ESP Fit Center 7820 is at -0.968348 -3.934003 -0.027374 ESP Fit Center 7821 is at -2.231397 -5.045098 -0.427270 ESP Fit Center 7822 is at -1.882668 -4.831396 -0.427270 ESP Fit Center 7823 is at -1.571663 -4.565773 -0.427270 ESP Fit Center 7824 is at -1.306039 -4.254768 -0.427270 ESP Fit Center 7825 is at -1.092338 -3.906039 -0.427270 ESP Fit Center 7826 is at -2.510570 -4.972748 -0.804315 ESP Fit Center 7827 is at -2.143321 -4.787585 -0.804315 ESP Fit Center 7828 is at -1.812648 -4.543021 -0.804315 ESP Fit Center 7829 is at 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ESP Fit Center 8068 is at -3.329720 1.821500 3.745533 ESP Fit Center 8069 is at -2.921220 1.821500 3.717590 ESP Fit Center 8070 is at -3.125470 2.175271 3.717590 ESP Fit Center 8071 is at -3.533970 2.175271 3.717590 ESP Fit Center 8072 is at -3.738220 1.821500 3.717590 ESP Fit Center 8073 is at -3.533970 1.467729 3.717590 ESP Fit Center 8074 is at -3.125470 1.467729 3.717590 ESP Fit Center 8075 is at -2.520330 1.821500 3.634284 ESP Fit Center 8076 is at -2.628767 2.226195 3.634284 ESP Fit Center 8077 is at -2.925025 2.522452 3.634284 ESP Fit Center 8078 is at -3.329720 2.630890 3.634284 ESP Fit Center 8079 is at -3.734415 2.522452 3.634284 ESP Fit Center 8080 is at -4.030672 2.226195 3.634284 ESP Fit Center 8081 is at -4.139110 1.821500 3.634284 ESP Fit Center 8082 is at -4.030672 1.416805 3.634284 ESP Fit Center 8083 is at -3.329720 1.012110 3.634284 ESP Fit Center 8084 is at -2.925025 1.120547 3.634284 ESP Fit Center 8085 is at -2.628767 1.416805 3.634284 ESP Fit Center 8086 is at 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ESP Fit Center 8105 is at -2.265789 0.682308 3.308791 ESP Fit Center 8106 is at -1.997892 1.011597 3.308791 ESP Fit Center 8107 is at -2.442899 3.494221 3.072666 ESP Fit Center 8108 is at -2.823218 3.645754 3.072666 ESP Fit Center 8109 is at -2.104047 0.378526 3.072666 ESP Fit Center 8110 is at -5.567108 3.549155 -0.259106 ESP Fit Center 8111 is at -5.794814 3.204978 -0.259106 ESP Fit Center 8112 is at -3.746407 4.452361 -0.634662 ESP Fit Center 8113 is at -4.152835 4.354787 -0.634662 ESP Fit Center 8114 is at -4.538994 4.194834 -0.634662 ESP Fit Center 8115 is at -4.895377 3.976443 -0.634662 ESP Fit Center 8116 is at -5.213209 3.704989 -0.634662 ESP Fit Center 8117 is at -5.484663 3.387157 -0.634662 ESP Fit Center 8118 is at -5.703054 3.030774 -0.634662 ESP Fit Center 8119 is at -3.641029 4.252558 -0.984508 ESP Fit Center 8120 is at -4.047402 4.164978 -0.984508 ESP Fit Center 8121 is at -4.433129 4.009980 -0.984508 ESP Fit Center 8122 is at -4.787112 3.792024 -0.984508 ESP Fit Center 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Fit Center 8288 is at -6.729093 2.964943 1.667904 ESP Fit Center 8289 is at -7.061469 2.711585 1.667904 ESP Fit Center 8290 is at -7.351273 2.410458 1.667904 ESP Fit Center 8291 is at -7.591715 2.068623 1.667904 ESP Fit Center 8292 is at -7.777158 1.694090 1.667904 ESP Fit Center 8293 is at -7.903256 1.295639 1.667904 ESP Fit Center 8294 is at -7.967052 0.882609 1.667904 ESP Fit Center 8295 is at -7.967052 0.464681 1.667904 ESP Fit Center 8296 is at -7.903256 0.051651 1.667904 ESP Fit Center 8297 is at -7.777158 -0.346800 1.667904 ESP Fit Center 8298 is at -7.591715 -0.721333 1.667904 ESP Fit Center 8299 is at -7.351273 -1.063168 1.667904 ESP Fit Center 8300 is at -6.265358 3.272803 1.254090 ESP Fit Center 8301 is at -6.641349 3.091736 1.254090 ESP Fit Center 8302 is at -6.986154 2.856652 1.254090 ESP Fit Center 8303 is at -7.292070 2.572803 1.254090 ESP Fit Center 8304 is at -7.552263 2.246531 1.254090 ESP Fit Center 8305 is at -7.760922 1.885122 1.254090 ESP Fit Center 8306 is at 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8343 is at -7.353923 2.205676 0.021890 ESP Fit Center 8344 is at -7.567624 1.856947 0.021890 ESP Fit Center 8345 is at -7.724142 1.479081 0.021890 ESP Fit Center 8346 is at -7.819620 1.081383 0.021890 ESP Fit Center 8347 is at -7.851710 0.673645 0.021890 ESP Fit Center 8348 is at -7.819620 0.265907 0.021890 ESP Fit Center 8349 is at -7.724142 -0.131791 0.021890 ESP Fit Center 8350 is at -7.567624 -0.509657 0.021890 ESP Fit Center 8351 is at -5.955321 2.992226 -0.355155 ESP Fit Center 8352 is at -6.336950 2.838875 -0.355155 ESP Fit Center 8353 is at -6.687172 2.623234 -0.355155 ESP Fit Center 8354 is at -6.995914 2.351508 -0.355155 ESP Fit Center 8355 is at -7.254293 2.031512 -0.355155 ESP Fit Center 8356 is at -7.454875 1.672452 -0.355155 ESP Fit Center 8357 is at -7.591891 1.284659 -0.355155 ESP Fit Center 8358 is at -7.661399 0.879288 -0.355155 ESP Fit Center 8359 is at -7.661399 0.468002 -0.355155 ESP Fit Center 8360 is at -7.591891 0.062631 -0.355155 ESP Fit Center 8361 is at 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2.743240 ESP Fit Center 8398 is at -1.742406 -1.209307 2.743240 ESP Fit Center 8399 is at -1.446149 -0.913050 2.743240 ESP Fit Center 8400 is at -1.549500 -1.543431 2.606122 ESP Fit Center 8401 is at -1.231522 -1.276617 2.606122 ESP Fit Center 8402 is at -1.023977 -0.917138 2.606122 ESP Fit Center 8403 is at -1.429974 -1.892347 2.417746 ESP Fit Center 8404 is at -1.083170 -1.647547 2.417746 ESP Fit Center 8405 is at -0.815273 -1.318257 2.417746 ESP Fit Center 8406 is at -0.646152 -0.928901 2.417746 ESP Fit Center 8407 is at -0.921428 -1.951329 2.181622 ESP Fit Center 8408 is at -0.639887 -1.654109 2.181622 ESP Fit Center 8409 is at -0.428821 -1.303316 2.181622 ESP Fit Center 8410 is at -0.875322 -2.294319 1.902147 ESP Fit Center 8411 is at -0.560309 -2.021358 1.902147 ESP Fit Center 8412 is at -0.302646 -1.693714 1.902147 ESP Fit Center 8413 is at -0.111647 -1.323228 1.902147 ESP Fit Center 8414 is at -0.527847 -2.348185 1.584529 ESP Fit Center 8415 is at -0.240206 -2.048065 1.584529 ESP Fit Center 8416 is at -0.581444 -2.663297 1.234683 ESP Fit Center 8417 is at -3.209576 1.058679 -2.472646 ESP Fit Center 8418 is at -3.521602 0.793642 -2.472646 ESP Fit Center 8419 is at -3.046003 0.765099 -2.708770 ESP Fit Center 8420 is at -3.356243 0.475355 -2.708770 ESP Fit Center 8421 is at -2.744703 0.526722 -2.897146 ESP Fit Center 8422 is at -3.062680 0.259907 -2.897146 ESP Fit Center 8423 is at -1.549500 -1.543431 -2.897146 ESP Fit Center 8424 is at -2.147101 0.301036 -3.034264 ESP Fit Center 8425 is at -2.551796 0.192598 -3.034264 ESP Fit Center 8426 is at -2.848054 -0.103660 -3.034264 ESP Fit Center 8427 is at -1.742406 -1.209307 -3.034264 ESP Fit Center 8428 is at -1.738601 -0.508355 -3.117570 ESP Fit Center 8429 is at -1.942851 -0.154583 -3.117570 ESP Fit Center 8430 is at -2.351351 -0.154583 -3.117570 ESP Fit Center 8431 is at -2.555601 -0.508355 -3.117570 ESP Fit Center 8432 is at -1.942851 -0.862126 -3.117570 ESP Fit Center 8433 is at -2.147101 -0.508355 -3.145512 ESP Fit Center 8434 is at -1.200296 0.245701 2.859486 ESP Fit Center 8435 is at -0.595156 0.599472 2.776180 ESP Fit Center 8436 is at -1.404546 -0.209918 2.776180 ESP Fit Center 8437 is at -0.999851 -0.101480 2.776180 ESP Fit Center 8438 is at -0.703593 0.194777 2.776180 ESP Fit Center 8439 is at -0.209343 0.599472 2.639063 ESP Fit Center 8440 is at -0.806944 -0.435604 2.639063 ESP Fit Center 8441 is at -0.488967 -0.168790 2.639063 ESP Fit Center 8442 is at -0.281422 0.190689 2.639063 ESP Fit Center 8443 is at 0.154206 0.599472 2.450687 ESP Fit Center 8444 is at 0.096403 1.020019 2.450687 ESP Fit Center 8445 is at -0.340615 -0.539720 2.450687 ESP Fit Center 8446 is at -0.072718 -0.210430 2.450687 ESP Fit Center 8447 is at 0.096403 0.178926 2.450687 ESP Fit Center 8448 is at -0.178873 -0.843502 2.214563 ESP Fit Center 8449 is at -3.198703 1.203994 -2.439705 ESP Fit Center 8450 is at -1.510919 2.154590 -2.675830 ESP Fit Center 8451 is at -1.926540 2.068223 -2.675830 ESP Fit Center 8452 is at -2.303448 1.872926 -2.675830 ESP Fit Center 8453 is at -2.613687 1.583182 -2.675830 ESP Fit Center 8454 is at -2.834251 1.220481 -2.675830 ESP Fit Center 8455 is at -1.612091 1.776518 -2.864205 ESP Fit Center 8456 is at -2.002148 1.634549 -2.864205 ESP Fit Center 8457 is at -2.320125 1.367734 -2.864205 ESP Fit Center 8458 is at -2.527670 1.008256 -2.864205 ESP Fit Center 8459 is at -1.809241 1.300425 -3.001323 ESP Fit Center 8460 is at -2.105499 1.004167 -3.001323 ESP Fit Center 8461 is at -2.213936 0.599472 -3.001323 ESP Fit Center 8462 is at -1.608796 0.953244 -3.084629 ESP Fit Center 8463 is at -1.813046 0.599472 -3.084629 ESP Fit Center 8464 is at -1.608796 0.245701 -3.084629 ESP Fit Center 8465 is at -5.065318 -1.511795 3.379272 ESP Fit Center 8466 is at -4.648562 -1.511795 3.342810 ESP Fit Center 8467 is at -4.856940 -1.150874 3.342810 ESP Fit Center 8468 is at -5.273696 -1.150874 3.342810 ESP Fit Center 8469 is at -5.482073 -1.511795 3.342810 ESP Fit Center 8470 is at 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ESP Fit Center 8778 is at -4.954885 4.719746 1.071852 ESP Fit Center 8779 is at -5.297575 4.479792 1.071852 ESP Fit Center 8780 is at -5.593391 4.183975 1.071852 ESP Fit Center 8781 is at -5.833346 3.841285 1.071852 ESP Fit Center 8782 is at -6.010147 3.462133 1.071852 ESP Fit Center 8783 is at -3.437619 4.983433 0.655096 ESP Fit Center 8784 is at -3.860924 5.002444 0.655096 ESP Fit Center 8785 is at -4.280822 4.945565 0.655096 ESP Fit Center 8786 is at -4.683815 4.814624 0.655096 ESP Fit Center 8787 is at -5.056951 4.613831 0.655096 ESP Fit Center 8788 is at -5.388238 4.349639 0.655096 ESP Fit Center 8789 is at -5.667028 4.030538 0.655096 ESP Fit Center 8790 is at -5.884359 3.666786 0.655096 ESP Fit Center 8791 is at -3.647575 4.893993 0.251003 ESP Fit Center 8792 is at -4.075842 4.873592 0.251003 ESP Fit Center 8793 is at -4.492509 4.772510 0.251003 ESP Fit Center 8794 is at -4.882516 4.594399 0.251003 ESP Fit Center 8795 is at -5.231767 4.345699 0.251003 ESP Fit Center 8796 is at 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ESP Fit Center 8833 is at -1.328186 1.851244 -2.878765 ESP Fit Center 8834 is at -0.852587 1.822701 -3.114889 ESP Fit Center 8835 is at -1.162827 1.532957 -3.114889 ESP Fit Center 8836 is at -1.383390 1.170256 -3.114889 ESP Fit Center 8837 is at -1.497919 0.761498 -3.114889 ESP Fit Center 8838 is at -1.497919 0.336998 -3.114889 ESP Fit Center 8839 is at -0.551287 1.584324 -3.303265 ESP Fit Center 8840 is at -0.869264 1.317510 -3.303265 ESP Fit Center 8841 is at -1.076809 0.958031 -3.303265 ESP Fit Center 8842 is at -1.148888 0.549248 -3.303265 ESP Fit Center 8843 is at 0.046315 1.358638 -3.440383 ESP Fit Center 8844 is at -0.358380 1.250200 -3.440383 ESP Fit Center 8845 is at -0.654638 0.953943 -3.440383 ESP Fit Center 8846 is at -0.763076 0.549248 -3.440383 ESP Fit Center 8847 is at 0.250565 0.903019 -3.523689 ESP Fit Center 8848 is at -0.157935 0.903019 -3.523689 ESP Fit Center 8849 is at -2.837142 -4.039781 -1.886434 ESP Fit Center 8850 is at -2.494452 -3.799826 -1.886434 ESP Fit Center 8851 is at -2.198635 -3.504010 -1.886434 ESP Fit Center 8852 is at -3.306768 -4.209179 -2.303189 ESP Fit Center 8853 is at -2.917135 -4.042641 -2.303189 ESP Fit Center 8854 is at -2.563500 -3.809209 -2.303189 ESP Fit Center 8855 is at -2.257228 -3.516383 -2.303189 ESP Fit Center 8856 is at -2.008165 -3.173577 -2.303189 ESP Fit Center 8857 is at -3.505444 -4.153010 -2.707282 ESP Fit Center 8858 is at -3.100272 -4.012778 -2.707282 ESP Fit Center 8859 is at -2.728961 -3.798402 -2.707282 ESP Fit Center 8860 is at -2.404932 -3.517629 -2.707282 ESP Fit Center 8861 is at -2.139895 -3.180607 -2.707282 ESP Fit Center 8862 is at -1.943429 -2.799516 -2.707282 ESP Fit Center 8863 is at -1.822635 -2.388131 -2.707282 ESP Fit Center 8864 is at -1.958681 -1.961320 -3.086434 ESP Fit Center 8865 is at -2.001227 -1.542929 -3.086434 ESP Fit Center 8866 is at -2.127124 -1.141667 -3.086434 ESP Fit Center 8867 is at -2.937711 -0.197446 -3.086434 ESP Fit Center 8868 is at -3.315281 -0.012239 -3.086434 ESP Fit Center 8869 is at -4.142414 -4.037113 -3.086434 ESP Fit Center 8870 is at -3.722405 -4.015813 -3.086434 ESP Fit Center 8871 is at -3.315281 -3.910401 -3.086434 ESP Fit Center 8872 is at -2.937711 -3.725194 -3.086434 ESP Fit Center 8873 is at -2.605151 -3.467773 -3.086434 ESP Fit Center 8874 is at -2.331217 -3.148678 -3.086434 ESP Fit Center 8875 is at -2.127124 -2.780973 -3.086434 ESP Fit Center 8876 is at -2.001227 -2.379711 -3.086434 ESP Fit Center 8877 is at -2.198635 -1.961320 -3.429124 ESP Fit Center 8878 is at -2.248192 -1.537331 -3.429124 ESP Fit Center 8879 is at -2.394192 -1.136199 -3.429124 ESP Fit Center 8880 is at -2.628764 -0.779550 -3.429124 ESP Fit Center 8881 is at -2.939262 -0.486611 -3.429124 ESP Fit Center 8882 is at -3.308947 -0.273173 -3.429124 ESP Fit Center 8883 is at -3.717889 -0.150744 -3.429124 ESP Fit Center 8884 is at -4.144042 -3.796716 -3.429124 ESP Fit Center 8885 is at -3.717889 -3.771895 -3.429124 ESP Fit Center 8886 is at -3.308947 -3.649466 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ESP Fit Center 9013 is at -5.267050 -5.522952 0.201778 ESP Fit Center 9014 is at -4.893913 -5.723745 0.201778 ESP Fit Center 9015 is at -4.490920 -5.854686 0.201778 ESP Fit Center 9016 is at -4.071023 -5.911564 0.201778 ESP Fit Center 9017 is at -3.647718 -5.892554 0.201778 ESP Fit Center 9018 is at -3.234610 -5.798265 0.201778 ESP Fit Center 9019 is at -2.844977 -5.631727 0.201778 ESP Fit Center 9020 is at -2.491341 -5.398295 0.201778 ESP Fit Center 9021 is at -5.441866 -5.254819 -0.202315 ESP Fit Center 9022 is at -5.092615 -5.503520 -0.202315 ESP Fit Center 9023 is at -4.702608 -5.681631 -0.202315 ESP Fit Center 9024 is at -4.285941 -5.782713 -0.202315 ESP Fit Center 9025 is at -3.857674 -5.803114 -0.202315 ESP Fit Center 9026 is at -3.433285 -5.742096 -0.202315 ESP Fit Center 9027 is at -3.028114 -5.601865 -0.202315 ESP Fit Center 9028 is at -2.656803 -5.387488 -0.202315 ESP Fit Center 9029 is at -5.237222 -5.194002 -0.581467 ESP Fit Center 9030 is at -4.880326 -5.416457 -0.581467 ESP Fit Center 9031 is at -4.485955 -5.562516 -0.581467 ESP Fit Center 9032 is at -4.070256 -5.626199 -0.581467 ESP Fit Center 9033 is at -3.650247 -5.604899 -0.581467 ESP Fit Center 9034 is at -3.243123 -5.499487 -0.581467 ESP Fit Center 9035 is at -2.865552 -5.314280 -0.581467 ESP Fit Center 9036 is at -4.884237 -5.142599 -0.924157 ESP Fit Center 9037 is at -4.492273 -5.311676 -0.924157 ESP Fit Center 9038 is at -4.071883 -5.385802 -0.924157 ESP Fit Center 9039 is at -3.645730 -5.360981 -0.924157 ESP Fit Center 9040 is at -3.236788 -5.238552 -0.924157 ESP Fit Center 9041 is at -2.867103 -5.025115 -0.924157 ESP Fit Center 9042 is at -4.481599 -5.004023 -1.219973 ESP Fit Center 9043 is at -4.070260 -5.089500 -1.219973 ESP Fit Center 9044 is at -3.651114 -5.060829 -1.219973 ESP Fit Center 9045 is at -3.255246 -4.920138 -1.219973 ESP Fit Center 9046 is at -3.756606 -4.732175 -1.459927 ESP Fit Center 9047 is at 0.426789 -1.086583 1.969793 ESP Fit Center 9048 is at 0.835289 -1.086583 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is at -0.069731 -2.491610 1.324869 ESP Fit Center 9068 is at 0.324743 -2.601135 1.324869 ESP Fit Center 9069 is at 0.733538 -2.623299 1.324869 ESP Fit Center 9070 is at 1.137540 -2.557066 1.324869 ESP Fit Center 9071 is at 1.517859 -2.405533 1.324869 ESP Fit Center 9072 is at 1.856712 -2.175786 1.324869 ESP Fit Center 9073 is at 0.319012 -2.903003 1.045394 ESP Fit Center 9074 is at 0.735362 -2.922836 1.045394 ESP Fit Center 9075 is at 1.147942 -2.863516 1.045394 ESP Fit Center 9076 is at 1.541839 -2.727187 1.045394 ESP Fit Center 9077 is at 0.735058 -3.181513 0.727776 ESP Fit Center 9078 is at 1.147394 -3.128712 0.727776 ESP Fit Center 9079 is at 1.544876 -3.006984 0.727776 ESP Fit Center 9080 is at 1.047726 -3.363674 0.377930 ESP Fit Center 9081 is at 1.454153 -3.266099 0.377930 ESP Fit Center 9082 is at 1.346026 -3.467678 0.002374 ESP Fit Center 9083 is at -1.472657 -1.350513 -3.049925 ESP Fit Center 9084 is at -1.317740 -1.737477 -3.049925 ESP Fit Center 9085 is at 0.319012 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ESP Fit Center 9140 is at 0.839463 0.769202 -3.717852 ESP Fit Center 9141 is at 0.527437 -2.099829 -3.717852 ESP Fit Center 9142 is at 0.839463 -2.364866 -3.717852 ESP Fit Center 9143 is at 1.201169 -2.556630 -3.717852 ESP Fit Center 9144 is at 1.003037 0.475621 -3.953976 ESP Fit Center 9145 is at 0.692797 0.185877 -3.953976 ESP Fit Center 9146 is at 0.472233 -0.176824 -3.953976 ESP Fit Center 9147 is at 0.472233 -1.418841 -3.953976 ESP Fit Center 9148 is at 0.692797 -1.781542 -3.953976 ESP Fit Center 9149 is at 1.003037 -2.071285 -3.953976 ESP Fit Center 9150 is at 1.379944 -2.266583 -3.953976 ESP Fit Center 9151 is at 1.304336 0.237244 -4.142352 ESP Fit Center 9152 is at 0.986359 -0.029570 -4.142352 ESP Fit Center 9153 is at 0.778814 -0.389049 -4.142352 ESP Fit Center 9154 is at 0.706735 -0.797832 -4.142352 ESP Fit Center 9155 is at 0.778814 -1.206616 -4.142352 ESP Fit Center 9156 is at 0.986359 -1.566094 -4.142352 ESP Fit Center 9157 is at 1.304336 -1.832909 -4.142352 ESP Fit Center 9158 is at 1.694393 -1.974878 -4.142352 ESP Fit Center 9159 is at 2.109483 -1.974878 -4.142352 ESP Fit Center 9160 is at 2.499540 -1.832909 -4.142352 ESP Fit Center 9161 is at 2.817517 -1.566094 -4.142352 ESP Fit Center 9162 is at 1.901938 0.011558 -4.279470 ESP Fit Center 9163 is at 1.497243 -0.096880 -4.279470 ESP Fit Center 9164 is at 1.200986 -0.393137 -4.279470 ESP Fit Center 9165 is at 1.092548 -0.797832 -4.279470 ESP Fit Center 9166 is at 1.200986 -1.202527 -4.279470 ESP Fit Center 9167 is at 1.497243 -1.498785 -4.279470 ESP Fit Center 9168 is at 1.901938 -1.607222 -4.279470 ESP Fit Center 9169 is at 2.306633 -1.498785 -4.279470 ESP Fit Center 9170 is at 2.602891 -1.202527 -4.279470 ESP Fit Center 9171 is at 2.310438 -0.797832 -4.362776 ESP Fit Center 9172 is at 2.106188 -0.444061 -4.362776 ESP Fit Center 9173 is at 1.697688 -0.444061 -4.362776 ESP Fit Center 9174 is at 1.493438 -0.797832 -4.362776 ESP Fit Center 9175 is at 1.697688 -1.151603 -4.362776 ESP Fit Center 9176 is at 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ESP Fit Center 9195 is at 2.626182 2.262993 1.909736 ESP Fit Center 9196 is at 3.137065 2.330302 1.772618 ESP Fit Center 9197 is at 2.819088 2.597117 1.772618 ESP Fit Center 9198 is at 2.429031 2.739086 1.772618 ESP Fit Center 9199 is at 3.553314 2.371943 1.584242 ESP Fit Center 9200 is at 3.285418 2.701233 1.584242 ESP Fit Center 9201 is at 2.938614 2.946033 1.584242 ESP Fit Center 9202 is at 2.538624 3.088190 1.584242 ESP Fit Center 9203 is at 3.728701 2.707795 1.348118 ESP Fit Center 9204 is at 3.447160 3.005014 1.348118 ESP Fit Center 9205 is at 3.108307 3.234762 1.348118 ESP Fit Center 9206 is at 2.727988 3.386295 1.348118 ESP Fit Center 9207 is at 2.323986 3.452528 1.348118 ESP Fit Center 9208 is at 4.065942 2.747400 1.068643 ESP Fit Center 9209 is at 2.738390 3.692745 1.068643 ESP Fit Center 9210 is at 2.325810 3.752065 1.068643 ESP Fit Center 9211 is at 1.510901 4.412044 -1.589384 ESP Fit Center 9212 is at 1.708039 4.341802 -1.983655 ESP Fit Center 9213 is at 1.308774 4.237420 -1.983655 ESP Fit Center 9214 is at 1.804799 4.192902 -2.359211 ESP Fit Center 9215 is at 1.398372 4.095328 -2.359211 ESP Fit Center 9216 is at 1.910177 3.993099 -2.709057 ESP Fit Center 9217 is at 1.503804 3.905519 -2.709057 ESP Fit Center 9218 is at 1.118078 3.750521 -2.709057 ESP Fit Center 9219 is at 2.738390 3.692745 -3.026676 ESP Fit Center 9220 is at 2.325810 3.752065 -3.026676 ESP Fit Center 9221 is at 1.909460 3.732232 -3.026676 ESP Fit Center 9222 is at 1.504388 3.633962 -3.026676 ESP Fit Center 9223 is at 1.125233 3.460808 -3.026676 ESP Fit Center 9224 is at 3.447160 3.005014 -3.306150 ESP Fit Center 9225 is at 3.108307 3.234762 -3.306150 ESP Fit Center 9226 is at 2.727988 3.386295 -3.306150 ESP Fit Center 9227 is at 2.323986 3.452528 -3.306150 ESP Fit Center 9228 is at 1.915191 3.430364 -3.306150 ESP Fit Center 9229 is at 1.520717 3.320839 -3.306150 ESP Fit Center 9230 is at 1.159011 3.129074 -3.306150 ESP Fit Center 9231 is at 0.846986 2.864037 -3.306150 ESP Fit Center 9232 is at 3.285418 2.701233 -3.542274 ESP Fit Center 9233 is at 2.938614 2.946033 -3.542274 ESP Fit Center 9234 is at 2.538624 3.088190 -3.542274 ESP Fit Center 9235 is at 2.115114 3.117159 -3.542274 ESP Fit Center 9236 is at 1.699492 3.030792 -3.542274 ESP Fit Center 9237 is at 1.322585 2.835494 -3.542274 ESP Fit Center 9238 is at 1.012345 2.545750 -3.542274 ESP Fit Center 9239 is at 0.791782 2.183049 -3.542274 ESP Fit Center 9240 is at 0.677253 1.774291 -3.542274 ESP Fit Center 9241 is at 0.677253 1.349791 -3.542274 ESP Fit Center 9242 is at 2.819088 2.597117 -3.730650 ESP Fit Center 9243 is at 2.429031 2.739086 -3.730650 ESP Fit Center 9244 is at 2.013942 2.739086 -3.730650 ESP Fit Center 9245 is at 1.623885 2.597117 -3.730650 ESP Fit Center 9246 is at 1.305908 2.330302 -3.730650 ESP Fit Center 9247 is at 1.098363 1.970824 -3.730650 ESP Fit Center 9248 is at 1.026283 1.562041 -3.730650 ESP Fit Center 9249 is at 2.626182 2.262993 -3.867768 ESP Fit Center 9250 is at 2.221487 2.371431 -3.867768 ESP Fit Center 9251 is at 1.816791 2.262993 -3.867768 ESP Fit Center 9252 is at 1.520534 1.966736 -3.867768 ESP Fit Center 9253 is at 1.412096 1.562041 -3.867768 ESP Fit Center 9254 is at 2.425737 1.915812 -3.951074 ESP Fit Center 9255 is at 2.017237 1.915812 -3.951074 ESP Fit Center 9256 is at 0.822211 1.640078 2.453301 ESP Fit Center 9257 is at 1.230711 1.640078 2.425359 ESP Fit Center 9258 is at 1.026461 1.993849 2.425359 ESP Fit Center 9259 is at 0.617961 1.993849 2.425359 ESP Fit Center 9260 is at 0.413711 1.640078 2.425359 ESP Fit Center 9261 is at 0.617961 1.286306 2.425359 ESP Fit Center 9262 is at 1.026461 1.286306 2.425359 ESP Fit Center 9263 is at 1.631601 1.640078 2.342053 ESP Fit Center 9264 is at 1.523163 2.044773 2.342053 ESP Fit Center 9265 is at 1.226906 2.341030 2.342053 ESP Fit Center 9266 is at 0.822211 2.449468 2.342053 ESP Fit Center 9267 is at 0.822211 0.830687 2.342053 ESP Fit Center 9268 is at 1.226906 0.939125 2.342053 ESP Fit Center 9269 is at 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is at 1.709031 3.312799 1.780435 ESP Fit Center 9289 is at 2.093990 3.426042 1.500960 ESP Fit Center 9290 is at 1.733011 3.634453 1.500960 ESP Fit Center 9291 is at 2.107241 3.727099 1.183342 ESP Fit Center 9292 is at 2.031485 4.013412 0.833496 ESP Fit Center 9293 is at 1.238898 4.270939 -1.926894 ESP Fit Center 9294 is at 0.822211 4.303733 -1.926894 ESP Fit Center 9295 is at 0.405523 4.270939 -1.926894 ESP Fit Center 9296 is at 0.926230 4.088779 -2.276740 ESP Fit Center 9297 is at 0.510902 4.071136 -2.276740 ESP Fit Center 9298 is at 0.104529 3.983556 -2.276740 ESP Fit Center 9299 is at -0.281198 3.828558 -2.276740 ESP Fit Center 9300 is at -0.635181 3.610602 -2.276740 ESP Fit Center 9301 is at 0.926534 3.830102 -2.594358 ESP Fit Center 9302 is at 0.510184 3.810269 -2.594358 ESP Fit Center 9303 is at 0.105112 3.712000 -2.594358 ESP Fit Center 9304 is at -0.274043 3.538845 -2.594358 ESP Fit Center 9305 is at -0.613577 3.297065 -2.594358 ESP Fit Center 9306 is at -0.901217 2.995396 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Center 9325 is at 0.121258 2.044773 -3.435451 ESP Fit Center 9326 is at 0.012820 1.640078 -3.435451 ESP Fit Center 9327 is at 0.617961 1.993849 -3.518757 ESP Fit Center 9328 is at 0.413711 1.640078 -3.518757 ESP Fit Center 9329 is at 0.617961 1.286306 -3.518757 ESP Fit Center 9330 is at -0.169169 -2.791093 1.060843 ESP Fit Center 9331 is at -0.477407 -3.062941 0.820889 ESP Fit Center 9332 is at -0.066069 -3.148418 0.820889 ESP Fit Center 9333 is at 0.353078 -3.119748 0.820889 ESP Fit Center 9334 is at -0.488081 -3.370594 0.525073 ESP Fit Center 9335 is at -0.067691 -3.444720 0.525073 ESP Fit Center 9336 is at 0.358462 -3.419900 0.525073 ESP Fit Center 9337 is at -0.481763 -3.621435 0.182382 ESP Fit Center 9338 is at -0.066064 -3.685117 0.182382 ESP Fit Center 9339 is at 0.353945 -3.663817 0.182382 ESP Fit Center 9340 is at 0.761069 -3.558405 0.182382 ESP Fit Center 9341 is at -0.698416 -3.740549 -0.196769 ESP Fit Center 9342 is at -0.281749 -3.841631 -0.196769 ESP Fit Center 9343 is at 0.146518 -3.862032 -0.196769 ESP Fit Center 9344 is at 0.570907 -3.801014 -0.196769 ESP Fit Center 9345 is at 0.976078 -3.660783 -0.196769 ESP Fit Center 9346 is at -0.889721 -3.782663 -0.600862 ESP Fit Center 9347 is at -0.486728 -3.913604 -0.600862 ESP Fit Center 9348 is at -0.066831 -3.970483 -0.600862 ESP Fit Center 9349 is at 0.356474 -3.951472 -0.600862 ESP Fit Center 9350 is at 0.769582 -3.857183 -0.600862 ESP Fit Center 9351 is at 1.159215 -3.690646 -0.600862 ESP Fit Center 9352 is at -1.160792 -3.687785 -1.017618 ESP Fit Center 9353 is at -0.781640 -3.864586 -1.017618 ESP Fit Center 9354 is at -0.377547 -3.972863 -1.017618 ESP Fit Center 9355 is at 0.039208 -4.009324 -1.017618 ESP Fit Center 9356 is at 0.455964 -3.972863 -1.017618 ESP Fit Center 9357 is at 0.860057 -3.864586 -1.017618 ESP Fit Center 9358 is at -1.262858 -3.581870 -1.434373 ESP Fit Center 9359 is at -0.889721 -3.782663 -1.434373 ESP Fit Center 9360 is at -0.486728 -3.913604 -1.434373 ESP Fit Center 9361 is at -0.066831 -3.970483 -1.434373 ESP Fit Center 9362 is at 0.356474 -3.951472 -1.434373 ESP Fit Center 9363 is at 0.769582 -3.857183 -1.434373 ESP Fit Center 9364 is at -1.088423 -3.562438 -1.838466 ESP Fit Center 9365 is at -0.698416 -3.740549 -1.838466 ESP Fit Center 9366 is at -0.281749 -3.841631 -1.838466 ESP Fit Center 9367 is at 0.146518 -3.862032 -1.838466 ESP Fit Center 9368 is at 0.570907 -3.801014 -1.838466 ESP Fit Center 9369 is at -1.233030 -3.252921 -2.217618 ESP Fit Center 9370 is at -0.876134 -3.475376 -2.217618 ESP Fit Center 9371 is at -0.481763 -3.621435 -2.217618 ESP Fit Center 9372 is at -0.066064 -3.685117 -2.217618 ESP Fit Center 9373 is at 0.353945 -3.663817 -2.217618 ESP Fit Center 9374 is at 0.761069 -3.558405 -2.217618 ESP Fit Center 9375 is at -1.496842 -2.619600 -2.560308 ESP Fit Center 9376 is at -1.222451 -2.946605 -2.560308 ESP Fit Center 9377 is at -0.880045 -3.201517 -2.560308 ESP Fit Center 9378 is at -0.488081 -3.370594 -2.560308 ESP Fit Center 9379 is at -0.067691 -3.444720 -2.560308 ESP Fit Center 9380 is at 0.358462 -3.419900 -2.560308 ESP Fit Center 9381 is at -1.489113 -1.819387 -2.856124 ESP Fit Center 9382 is at -1.375765 -2.223933 -2.856124 ESP Fit Center 9383 is at -1.157474 -2.582897 -2.856124 ESP Fit Center 9384 is at -0.850431 -2.869656 -2.856124 ESP Fit Center 9385 is at -0.477407 -3.062941 -2.856124 ESP Fit Center 9386 is at -0.066069 -3.148418 -2.856124 ESP Fit Center 9387 is at 0.353078 -3.119748 -2.856124 ESP Fit Center 9388 is at -0.880045 -2.380669 -3.096079 ESP Fit Center 9389 is at -0.560792 -2.648554 -3.096079 ESP Fit Center 9390 is at -0.169169 -2.791093 -3.096079 ESP Fit Center 9391 is at 2.202919 -3.559781 -0.171546 ESP Fit Center 9392 is at 2.629072 -3.534961 -0.171546 ESP Fit Center 9393 is at 3.038014 -3.412532 -0.171546 ESP Fit Center 9394 is at 1.788847 -3.736496 -0.514236 ESP Fit Center 9395 is at 2.204546 -3.800179 -0.514236 ESP Fit Center 9396 is at 2.624555 -3.778878 -0.514236 ESP Fit Center 9397 is at 3.031679 -3.673466 -0.514236 ESP Fit Center 9398 is at 1.572194 -3.855610 -0.893388 ESP Fit Center 9399 is at 1.988861 -3.956692 -0.893388 ESP Fit Center 9400 is at 2.417128 -3.977093 -0.893388 ESP Fit Center 9401 is at 2.841517 -3.916075 -0.893388 ESP Fit Center 9402 is at 3.246688 -3.775844 -0.893388 ESP Fit Center 9403 is at 1.380888 -3.897725 -1.297481 ESP Fit Center 9404 is at 1.783881 -4.028665 -1.297481 ESP Fit Center 9405 is at 2.203779 -4.085544 -1.297481 ESP Fit Center 9406 is at 2.627084 -4.066533 -1.297481 ESP Fit Center 9407 is at 3.040192 -3.972244 -1.297481 ESP Fit Center 9408 is at 3.429825 -3.805707 -1.297481 ESP Fit Center 9409 is at 1.109818 -3.802846 -1.714236 ESP Fit Center 9410 is at 1.488970 -3.979648 -1.714236 ESP Fit Center 9411 is at 1.893063 -4.087924 -1.714236 ESP Fit Center 9412 is at 2.309818 -4.124385 -1.714236 ESP Fit Center 9413 is at 2.726574 -4.087924 -1.714236 ESP Fit Center 9414 is at 3.130667 -3.979648 -1.714236 ESP Fit Center 9415 is at 3.509818 -3.802846 -1.714236 ESP Fit Center 9416 is at 1.007752 -3.696931 -2.130992 ESP Fit Center 9417 is at 1.380888 -3.897725 -2.130992 ESP Fit Center 9418 is at 1.783881 -4.028665 -2.130992 ESP Fit Center 9419 is at 2.203779 -4.085544 -2.130992 ESP Fit Center 9420 is at 2.627084 -4.066533 -2.130992 ESP Fit Center 9421 is at 3.040192 -3.972244 -2.130992 ESP Fit Center 9422 is at 3.429825 -3.805707 -2.130992 ESP Fit Center 9423 is at 0.832936 -3.428799 -2.535085 ESP Fit Center 9424 is at 1.182187 -3.677500 -2.535085 ESP Fit Center 9425 is at 1.572194 -3.855610 -2.535085 ESP Fit Center 9426 is at 1.988861 -3.956692 -2.535085 ESP Fit Center 9427 is at 2.417128 -3.977093 -2.535085 ESP Fit Center 9428 is at 2.841517 -3.916075 -2.535085 ESP Fit Center 9429 is at 3.246688 -3.775844 -2.535085 ESP Fit Center 9430 is at 3.617999 -3.561468 -2.535085 ESP Fit Center 9431 is at 1.037580 -3.367982 -2.914236 ESP Fit Center 9432 is at 1.394476 -3.590437 -2.914236 ESP Fit Center 9433 is at 1.788847 -3.736496 -2.914236 ESP Fit Center 9434 is at 2.204546 -3.800179 -2.914236 ESP Fit Center 9435 is at 2.624555 -3.778878 -2.914236 ESP Fit Center 9436 is at 3.031679 -3.673466 -2.914236 ESP Fit Center 9437 is at 3.409249 -3.488259 -2.914236 ESP Fit Center 9438 is at 3.741809 -3.230839 -2.914236 ESP Fit Center 9439 is at 1.048158 -3.061667 -3.256927 ESP Fit Center 9440 is at 1.390565 -3.316579 -3.256927 ESP Fit Center 9441 is at 1.782529 -3.485655 -3.256927 ESP Fit Center 9442 is at 2.202919 -3.559781 -3.256927 ESP Fit Center 9443 is at 2.629072 -3.534961 -3.256927 ESP Fit Center 9444 is at 3.038014 -3.412532 -3.256927 ESP Fit Center 9445 is at 3.407698 -3.199094 -3.256927 ESP Fit Center 9446 is at 3.718196 -2.906155 -3.256927 ESP Fit Center 9447 is at 3.952768 -2.549506 -3.256927 ESP Fit Center 9448 is at 1.420179 -2.984717 -3.552743 ESP Fit Center 9449 is at 1.793203 -3.178002 -3.552743 ESP Fit Center 9450 is at 2.204541 -3.263479 -3.552743 ESP Fit Center 9451 is at 2.623688 -3.234809 -3.552743 ESP Fit Center 9452 is at 3.019556 -3.094117 -3.552743 ESP Fit Center 9453 is at 3.362786 -2.851839 -3.552743 ESP Fit Center 9454 is at 3.627923 -2.525942 -3.552743 ESP Fit Center 9455 is at 1.709818 -2.763616 -3.792697 ESP Fit Center 9456 is at 2.101441 -2.906155 -3.792697 ESP Fit Center 9457 is at 2.518196 -2.906155 -3.792697 ESP Fit Center 9458 is at 2.909818 -2.763616 -3.792697 ESP Fit Center 9459 is at 3.229072 -2.495730 -3.792697 ESP Fit Center 9460 is at 1.899394 -2.435261 -3.969499 ESP Fit Center 9461 is at 2.309818 -2.545234 -3.969499 ESP Fit Center 9462 is at 2.720242 -2.435261 -3.969499 ESP Fit Center 9463 is at 3.020694 -2.134809 -3.969499 ESP Fit Center 9464 is at 2.518196 -2.085306 -4.077775 ESP Fit Center 9465 is at 6.885207 1.145341 -2.833325 ESP Fit Center 9466 is at 6.809140 0.747635 -3.208881 ESP Fit Center 9467 is at 6.711565 1.154063 -3.208881 ESP Fit Center 9468 is at 6.629188 0.330948 -3.558727 ESP Fit Center 9469 is at 6.593934 0.745154 -3.558727 ESP Fit Center 9470 is at 6.489186 1.147443 -3.558727 ESP Fit Center 9471 is at 6.317957 1.526244 -3.558727 ESP Fit Center 9472 is at 3.460596 2.674426 -3.558727 ESP Fit Center 9473 is at 6.370786 0.330948 -3.876345 ESP Fit Center 9474 is at 6.331165 0.745883 -3.876345 ESP Fit Center 9475 is at 6.213732 1.145821 -3.876345 ESP Fit Center 9476 is at 6.022733 1.516307 -3.876345 ESP Fit Center 9477 is at 5.765071 1.843952 -3.876345 ESP Fit Center 9478 is at 4.282602 2.520972 -3.876345 ESP Fit Center 9479 is at 3.866252 2.501139 -3.876345 ESP Fit Center 9480 is at 3.461179 2.402870 -3.876345 ESP Fit Center 9481 is at 3.082024 2.229715 -3.876345 ESP Fit Center 9482 is at 5.896558 1.125909 -4.155820 ESP Fit Center 9483 is at 5.685492 1.476702 -4.155820 ESP Fit Center 9484 is at 5.403951 1.773922 -4.155820 ESP Fit Center 9485 is at 5.065099 2.003669 -4.155820 ESP Fit Center 9486 is at 4.684780 2.155202 -4.155820 ESP Fit Center 9487 is at 4.280777 2.221435 -4.155820 ESP Fit Center 9488 is at 3.871982 2.199271 -4.155820 ESP Fit Center 9489 is at 3.477509 2.089746 -4.155820 ESP Fit Center 9490 is at 3.115803 1.897981 -4.155820 ESP Fit Center 9491 is at 2.803777 1.632944 -4.155820 ESP Fit Center 9492 is at 5.242209 1.470140 -4.391944 ESP Fit Center 9493 is at 4.895405 1.714941 -4.391944 ESP Fit Center 9494 is at 4.495416 1.857097 -4.391944 ESP Fit Center 9495 is at 4.071905 1.886066 -4.391944 ESP Fit Center 9496 is at 3.656284 1.799699 -4.391944 ESP Fit Center 9497 is at 3.279377 1.604401 -4.391944 ESP Fit Center 9498 is at 2.969137 1.314657 -4.391944 ESP Fit Center 9499 is at 3.748343 3.208528 1.103164 ESP Fit Center 9500 is at 3.429090 3.476414 1.103164 ESP Fit Center 9501 is at 3.037468 3.618953 1.103164 ESP Fit Center 9502 is at 4.147194 3.238740 0.863210 ESP Fit Center 9503 is at 3.882058 3.564637 0.863210 ESP Fit Center 9504 is at 3.538828 3.806915 0.863210 ESP Fit Center 9505 is at 3.142959 3.947607 0.863210 ESP Fit Center 9506 is at 2.723813 3.976277 0.863210 ESP Fit Center 9507 is at 4.472039 3.262304 0.567393 ESP Fit Center 9508 is at 4.237468 3.618953 0.567393 ESP Fit Center 9509 is at 3.926970 3.911892 0.567393 ESP Fit Center 9510 is at 3.557285 4.125330 0.567393 ESP Fit Center 9511 is at 3.148343 4.247759 0.567393 ESP Fit Center 9512 is at 2.722190 4.272579 0.567393 ESP Fit Center 9513 is at 2.301800 4.198453 0.567393 ESP Fit Center 9514 is at 4.739108 3.256836 0.224703 ESP Fit Center 9515 is at 4.535015 3.624542 0.224703 ESP Fit Center 9516 is at 4.261081 3.943637 0.224703 ESP Fit Center 9517 is at 3.928521 4.201057 0.224703 ESP Fit Center 9518 is at 3.550950 4.386264 0.224703 ESP Fit Center 9519 is at 3.143827 4.491676 0.224703 ESP Fit Center 9520 is at 2.723817 4.512976 0.224703 ESP Fit Center 9521 is at 2.308118 4.449294 0.224703 ESP Fit Center 9522 is at 4.922803 3.275380 -0.154449 ESP Fit Center 9523 is at 4.726337 3.656470 -0.154449 ESP Fit Center 9524 is at 4.461300 3.993492 -0.154449 ESP Fit Center 9525 is at 4.137270 4.274266 -0.154449 ESP Fit Center 9526 is at 3.765960 4.488642 -0.154449 ESP Fit Center 9527 is at 3.360788 4.628873 -0.154449 ESP Fit Center 9528 is at 2.936399 4.689891 -0.154449 ESP Fit Center 9529 is at 2.508132 4.669490 -0.154449 ESP Fit Center 9530 is at 2.091466 4.568408 -0.154449 ESP Fit Center 9531 is at 4.858067 3.649440 -0.558541 ESP Fit Center 9532 is at 4.609003 3.992247 -0.558541 ESP Fit Center 9533 is at 4.302732 4.285072 -0.558541 ESP Fit Center 9534 is at 3.949097 4.518505 -0.558541 ESP Fit Center 9535 is at 3.559463 4.685042 -0.558541 ESP Fit Center 9536 is at 3.146355 4.779331 -0.558541 ESP Fit Center 9537 is at 2.723050 4.798342 -0.558541 ESP Fit Center 9538 is at 2.303153 4.741463 -0.558541 ESP Fit Center 9539 is at 1.900160 4.610523 -0.558541 ESP Fit Center 9540 is at 4.907551 3.637183 -0.975297 ESP Fit Center 9541 is at 4.667596 3.979873 -0.975297 ESP Fit Center 9542 is at 4.371780 4.275690 -0.975297 ESP Fit Center 9543 is at 4.029090 4.515644 -0.975297 ESP Fit Center 9544 is at 3.649938 4.692446 -0.975297 ESP Fit Center 9545 is at 3.245845 4.800722 -0.975297 ESP Fit Center 9546 is at 2.829090 4.837183 -0.975297 ESP Fit Center 9547 is at 2.412334 4.800722 -0.975297 ESP Fit Center 9548 is at 2.008241 4.692446 -0.975297 ESP Fit Center 9549 is at 1.629090 4.515644 -0.975297 ESP Fit Center 9550 is at 4.609003 3.992247 -1.392053 ESP Fit Center 9551 is at 4.302732 4.285072 -1.392053 ESP Fit Center 9552 is at 3.949097 4.518505 -1.392053 ESP Fit Center 9553 is at 3.559463 4.685042 -1.392053 ESP Fit Center 9554 is at 3.146355 4.779331 -1.392053 ESP Fit Center 9555 is at 2.723050 4.798342 -1.392053 ESP Fit Center 9556 is at 2.303153 4.741463 -1.392053 ESP Fit Center 9557 is at 1.900160 4.610523 -1.392053 ESP Fit Center 9558 is at 4.461300 3.993492 -1.796145 ESP Fit Center 9559 is at 4.137270 4.274266 -1.796145 ESP Fit Center 9560 is at 3.765960 4.488642 -1.796145 ESP Fit Center 9561 is at 3.360788 4.628873 -1.796145 ESP Fit Center 9562 is at 2.936399 4.689891 -1.796145 ESP Fit Center 9563 is at 2.508132 4.669490 -1.796145 ESP Fit Center 9564 is at 2.091466 4.568408 -1.796145 ESP Fit Center 9565 is at 4.261081 3.943637 -2.175297 ESP Fit Center 9566 is at 3.928521 4.201057 -2.175297 ESP Fit Center 9567 is at 3.550950 4.386264 -2.175297 ESP Fit Center 9568 is at 3.143827 4.491676 -2.175297 ESP Fit Center 9569 is at 2.723817 4.512976 -2.175297 ESP Fit Center 9570 is at 2.308118 4.449294 -2.175297 ESP Fit Center 9571 is at 1.913748 4.303235 -2.175297 ESP Fit Center 9572 is at 4.237468 3.618953 -2.517987 ESP Fit Center 9573 is at 3.926970 3.911892 -2.517987 ESP Fit Center 9574 is at 3.557285 4.125330 -2.517987 ESP Fit Center 9575 is at 3.148343 4.247759 -2.517987 ESP Fit Center 9576 is at 2.722190 4.272579 -2.517987 ESP Fit Center 9577 is at 2.301800 4.198453 -2.517987 ESP Fit Center 9578 is at 3.882058 3.564637 -2.813804 ESP Fit Center 9579 is at 3.538828 3.806915 -2.813804 ESP Fit Center 9580 is at 3.142959 3.947607 -2.813804 ESP Fit Center 9581 is at 2.723813 3.976277 -2.813804 ESP Fit Center 9582 is at 3.748343 3.208528 -3.053758 ESP Fit Center 9583 is at 3.429090 3.476414 -3.053758 ESP Fit Center 9584 is at 3.037468 3.618953 -3.053758 ESP Fit Center 9585 is at 0.842190 3.282236 2.023617 ESP Fit Center 9586 is at 1.031766 3.610591 1.846816 ESP Fit Center 9587 is at 1.484734 3.698814 1.606861 ESP Fit Center 9588 is at 1.141504 3.941092 1.606861 ESP Fit Center 9589 is at 1.529646 4.046069 1.311045 ESP Fit Center 9590 is at 1.159961 4.259507 1.311045 ESP Fit Center 9591 is at 1.863757 4.077814 0.968355 ESP Fit Center 9592 is at 1.531197 4.335234 0.968355 ESP Fit Center 9593 is at 1.153626 4.520441 0.968355 ESP Fit Center 9594 is at 0.746503 4.625853 0.968355 ESP Fit Center 9595 is at 2.063976 4.127669 0.589203 ESP Fit Center 9596 is at 1.739946 4.408443 0.589203 ESP Fit Center 9597 is at 1.368636 4.622819 0.589203 ESP Fit Center 9598 is at 0.963464 4.763050 0.589203 ESP Fit Center 9599 is at 1.905408 4.419249 0.185110 ESP Fit Center 9600 is at 1.551773 4.652682 0.185110 ESP Fit Center 9601 is at 1.162139 4.819219 0.185110 ESP Fit Center 9602 is at 0.749031 4.913508 0.185110 ESP Fit Center 9603 is at 1.631766 4.649821 -0.231645 ESP Fit Center 9604 is at 1.252614 4.826622 -0.231645 ESP Fit Center 9605 is at 0.848521 4.934899 -0.231645 ESP Fit Center 9606 is at 0.431766 4.971360 -0.231645 ESP Fit Center 9607 is at 1.551773 4.652682 -0.648401 ESP Fit Center 9608 is at 1.162139 4.819219 -0.648401 ESP Fit Center 9609 is at 0.749031 4.913508 -0.648401 ESP Fit Center 9610 is at 0.325726 4.932519 -0.648401 ESP Fit Center 9611 is at 1.368636 4.622819 -1.052494 ESP Fit Center 9612 is at 0.963464 4.763050 -1.052494 ESP Fit Center 9613 is at 0.539075 4.824068 -1.052494 ESP Fit Center 9614 is at 0.110808 4.803667 -1.052494 ESP Fit Center 9615 is at 1.153626 4.520441 -1.431645 ESP Fit Center 9616 is at 0.746503 4.625853 -1.431645 ESP Fit Center 9617 is at 0.326493 4.647153 -1.431645 ESP Fit Center 9618 is at -0.089206 4.583471 -1.431645 ESP Fit Center 9619 is at 0.751019 4.381936 -1.774335 ESP Fit Center 9620 is at 0.324866 4.406756 -1.774335 ESP Fit Center 9621 is at -0.095524 4.332630 -1.774335 ESP Fit Center 9622 is at 6.306695 -3.331559 -0.727981 ESP Fit Center 9623 is at 6.306695 -3.331559 -1.137435 ESP Fit Center 9624 is at 6.668316 -3.122778 -1.137435 ESP Fit Center 9625 is at 6.282254 -3.281448 -1.543076 ESP Fit Center 9626 is at 6.637138 -3.076555 -1.543076 ESP Fit Center 9627 is at 6.100216 -3.243082 -1.937347 ESP Fit Center 9628 is at 6.467233 -3.054385 -1.937347 ESP Fit Center 9629 is at 6.203922 -3.014797 -2.312903 ESP Fit Center 9630 is at 5.908485 -2.915635 -2.662749 ESP Fit Center 9631 is at 6.279678 -2.728484 -2.662749 ESP Fit Center 9632 is at 5.511551 -2.772167 -2.980367 ESP Fit Center 9633 is at 5.905449 -2.635838 -2.980367 ESP Fit Center 9634 is at 6.266427 -2.427427 -2.980367 ESP Fit Center 9635 is at 4.688352 -2.509786 -3.259842 ESP Fit Center 9636 is at 5.097147 -2.531950 -3.259842 ESP Fit Center 9637 is at 5.501150 -2.465717 -3.259842 ESP Fit Center 9638 is at 5.881469 -2.314184 -3.259842 ESP Fit Center 9639 is at 6.220321 -2.084437 -3.259842 ESP Fit Center 9640 is at 5.311785 -2.167612 -3.495966 ESP Fit Center 9641 is at 5.711775 -2.025456 -3.495966 ESP Fit Center 9642 is at 6.058579 -1.780655 -3.495966 ESP Fit Center 9643 is at 4.313000 1.917123 2.578812 ESP Fit Center 9644 is at 3.933845 1.743969 2.578812 ESP Fit Center 9645 is at 4.312417 2.188680 2.261193 ESP Fit Center 9646 is at 3.926690 2.033682 2.261193 ESP Fit Center 9647 is at 4.206984 2.378488 1.911347 ESP Fit Center 9648 is at 3.820825 2.218536 1.911347 ESP Fit Center 9649 is at 3.737574 2.359178 1.535791 ESP Fit Center 9650 is at 4.101407 -2.454297 -3.259344 ESP Fit Center 9651 is at 3.886490 -2.325446 -3.663436 ESP Fit Center 9652 is at 4.314757 -2.345847 -3.663436 ESP Fit Center 9653 is at 4.739145 -2.284829 -3.663436 ESP Fit Center 9654 is at 5.144317 -2.144597 -3.663436 ESP Fit Center 9655 is at 5.515627 -1.930221 -3.663436 ESP Fit Center 9656 is at 5.839657 -1.649448 -3.663436 ESP Fit Center 9657 is at 6.104694 -1.312426 -3.663436 ESP Fit Center 9658 is at 6.285908 -0.093139 -4.042588 ESP Fit Center 9659 is at 6.243362 0.325252 -4.042588 ESP Fit Center 9660 is at 3.292105 -1.959190 -4.042588 ESP Fit Center 9661 is at 3.686475 -2.105249 -4.042588 ESP Fit Center 9662 is at 4.102175 -2.168932 -4.042588 ESP Fit Center 9663 is at 4.522184 -2.147632 -4.042588 ESP Fit Center 9664 is at 4.929307 -2.042220 -4.042588 ESP Fit Center 9665 is at 5.306878 -1.857013 -4.042588 ESP Fit Center 9666 is at 5.639438 -1.599592 -4.042588 ESP Fit Center 9667 is at 5.913372 -1.280497 -4.042588 ESP Fit Center 9668 is at 6.117465 -0.912792 -4.042588 ESP Fit Center 9669 is at 6.243362 -0.511530 -4.042588 ESP Fit Center 9670 is at 6.045954 -0.093139 -4.385278 ESP Fit Center 9671 is at 5.996396 0.330850 -4.385278 ESP Fit Center 9672 is at 5.850397 0.731982 -4.385278 ESP Fit Center 9673 is at 5.615825 1.088631 -4.385278 ESP Fit Center 9674 is at 2.671397 0.917137 -4.385278 ESP Fit Center 9675 is at 2.479816 0.535668 -4.385278 ESP Fit Center 9676 is at 2.381372 0.120299 -4.385278 ESP Fit Center 9677 is at 2.381372 -0.306576 -4.385278 ESP Fit Center 9678 is at 2.479816 -0.721945 -4.385278 ESP Fit Center 9679 is at 2.671397 -1.103415 -4.385278 ESP Fit Center 9680 is at 2.945787 -1.430420 -4.385278 ESP Fit Center 9681 is at 3.288194 -1.685332 -4.385278 ESP Fit Center 9682 is at 3.680157 -1.854409 -4.385278 ESP Fit Center 9683 is at 4.100547 -1.928535 -4.385278 ESP Fit Center 9684 is at 4.526700 -1.903714 -4.385278 ESP Fit Center 9685 is at 4.935642 -1.781285 -4.385278 ESP Fit Center 9686 is at 5.305327 -1.567848 -4.385278 ESP Fit Center 9687 is at 5.615825 -1.274908 -4.385278 ESP Fit Center 9688 is at 5.850397 -0.918259 -4.385278 ESP Fit Center 9689 is at 5.996396 -0.517128 -4.385278 ESP Fit Center 9690 is at 5.750137 -0.093139 -4.681095 ESP Fit Center 9691 is at 5.692930 0.323074 -4.681095 ESP Fit Center 9692 is at 5.525551 0.708418 -4.681095 ESP Fit Center 9693 is at 5.260415 1.034315 -4.681095 ESP Fit Center 9694 is at 4.917185 1.276593 -4.681095 ESP Fit Center 9695 is at 4.521317 1.417285 -4.681095 ESP Fit Center 9696 is at 4.102170 1.445955 -4.681095 ESP Fit Center 9697 is at 3.690831 1.360478 -4.681095 ESP Fit Center 9698 is at 3.317808 1.167193 -4.681095 ESP Fit Center 9699 is at 3.010765 0.880434 -4.681095 ESP Fit Center 9700 is at 2.792474 0.521471 -4.681095 ESP Fit Center 9701 is at 2.679125 0.116924 -4.681095 ESP Fit Center 9702 is at 2.679125 -0.303202 -4.681095 ESP Fit Center 9703 is at 2.792474 -0.707748 -4.681095 ESP Fit Center 9704 is at 3.010765 -1.066712 -4.681095 ESP Fit Center 9705 is at 3.317808 -1.353470 -4.681095 ESP Fit Center 9706 is at 3.690831 -1.546756 -4.681095 ESP Fit Center 9707 is at 4.102170 -1.632233 -4.681095 ESP Fit Center 9708 is at 4.521317 -1.603562 -4.681095 ESP Fit Center 9709 is at 4.917185 -1.462871 -4.681095 ESP Fit Center 9710 is at 5.260415 -1.220592 -4.681095 ESP Fit Center 9711 is at 5.525551 -0.894696 -4.681095 ESP Fit Center 9712 is at 5.692930 -0.509352 -4.681095 ESP Fit Center 9713 is at 5.407447 -0.093139 -4.921049 ESP Fit Center 9714 is at 5.335078 0.317285 -4.921049 ESP Fit Center 9715 is at 5.126700 0.678206 -4.921049 ESP Fit Center 9716 is at 4.807447 0.946092 -4.921049 ESP Fit Center 9717 is at 4.415825 1.088631 -4.921049 ESP Fit Center 9718 is at 3.999069 1.088631 -4.921049 ESP Fit Center 9719 is at 3.607447 0.946092 -4.921049 ESP Fit Center 9720 is at 3.288194 0.678206 -4.921049 ESP Fit Center 9721 is at 3.079816 0.317285 -4.921049 ESP Fit Center 9722 is at 3.007447 -0.093139 -4.921049 ESP Fit Center 9723 is at 3.079816 -0.503563 -4.921049 ESP Fit Center 9724 is at 3.288194 -0.864484 -4.921049 ESP Fit Center 9725 is at 3.607447 -1.132369 -4.921049 ESP Fit Center 9726 is at 3.999069 -1.274908 -4.921049 ESP Fit Center 9727 is at 4.415825 -1.274908 -4.921049 ESP Fit Center 9728 is at 4.807447 -1.132369 -4.921049 ESP Fit Center 9729 is at 5.126700 -0.864484 -4.921049 ESP Fit Center 9730 is at 5.335078 -0.503563 -4.921049 ESP Fit Center 9731 is at 5.028295 -0.093139 -5.097850 ESP Fit Center 9732 is at 4.918322 0.317285 -5.097850 ESP Fit Center 9733 is at 4.617871 0.617737 -5.097850 ESP Fit Center 9734 is at 4.207447 0.727710 -5.097850 ESP Fit Center 9735 is at 3.797023 0.617737 -5.097850 ESP Fit Center 9736 is at 3.496571 0.317285 -5.097850 ESP Fit Center 9737 is at 3.386599 -0.093139 -5.097850 ESP Fit Center 9738 is at 3.496571 -0.503563 -5.097850 ESP Fit Center 9739 is at 3.797023 -0.804014 -5.097850 ESP Fit Center 9740 is at 4.207447 -0.913987 -5.097850 ESP Fit Center 9741 is at 4.617871 -0.804014 -5.097850 ESP Fit Center 9742 is at 4.918322 -0.503563 -5.097850 ESP Fit Center 9743 is at 4.624203 -0.093139 -5.206127 ESP Fit Center 9744 is at 4.415825 0.267782 -5.206127 ESP Fit Center 9745 is at 3.999069 0.267782 -5.206127 ESP Fit Center 9746 is at 3.790691 -0.093139 -5.206127 ESP Fit Center 9747 is at 3.999069 -0.454060 -5.206127 ESP Fit Center 9748 is at 4.415825 -0.454060 -5.206127 ESP Fit Center 9749 is at 4.207447 -0.093139 -5.242588 ESP Fit Center 9750 is at 5.732203 3.096600 -0.611336 ESP Fit Center 9751 is at 5.354632 3.281807 -0.611336 ESP Fit Center 9752 is at 6.530019 2.552013 -0.990487 ESP Fit Center 9753 is at 6.264982 2.889035 -0.990487 ESP Fit Center 9754 is at 5.940952 3.169809 -0.990487 ESP Fit Center 9755 is at 5.569641 3.384185 -0.990487 ESP Fit Center 9756 is at 5.164470 3.524416 -0.990487 ESP Fit Center 9757 is at 6.958327 1.754752 -1.394580 ESP Fit Center 9758 is at 6.845599 2.163214 -1.394580 ESP Fit Center 9759 is at 6.661748 2.544983 -1.394580 ESP Fit Center 9760 is at 6.412685 2.887790 -1.394580 ESP Fit Center 9761 is at 6.106414 3.180615 -1.394580 ESP Fit Center 9762 is at 5.752778 3.414048 -1.394580 ESP Fit Center 9763 is at 5.363145 3.580585 -1.394580 ESP Fit Center 9764 is at 4.950037 3.674874 -1.394580 ESP Fit Center 9765 is at 6.996310 1.749482 -1.811336 ESP Fit Center 9766 is at 6.888034 2.153574 -1.811336 ESP Fit Center 9767 is at 6.711233 2.532726 -1.811336 ESP Fit Center 9768 is at 6.471278 2.875416 -1.811336 ESP Fit Center 9769 is at 6.175462 3.171233 -1.811336 ESP Fit Center 9770 is at 5.832772 3.411187 -1.811336 ESP Fit Center 9771 is at 5.453620 3.587988 -1.811336 ESP Fit Center 9772 is at 5.049527 3.696265 -1.811336 ESP Fit Center 9773 is at 6.996310 1.332726 -2.228091 ESP Fit Center 9774 is at 6.958327 1.754752 -2.228091 ESP Fit Center 9775 is at 6.845599 2.163214 -2.228091 ESP Fit Center 9776 is at 6.661748 2.544983 -2.228091 ESP Fit Center 9777 is at 6.412685 2.887790 -2.228091 ESP Fit Center 9778 is at 6.106414 3.180615 -2.228091 ESP Fit Center 9779 is at 5.752778 3.414048 -2.228091 ESP Fit Center 9780 is at 5.363145 3.580585 -2.228091 ESP Fit Center 9781 is at 4.950037 3.674874 -2.228091 ESP Fit Center 9782 is at 4.526732 3.693885 -2.228091 ESP Fit Center 9783 is at 6.847278 1.759537 -2.632184 ESP Fit Center 9784 is at 6.726485 2.170922 -2.632184 ESP Fit Center 9785 is at 6.530019 2.552013 -2.632184 ESP Fit Center 9786 is at 6.264982 2.889035 -2.632184 ESP Fit Center 9787 is at 5.940952 3.169809 -2.632184 ESP Fit Center 9788 is at 5.569641 3.384185 -2.632184 ESP Fit Center 9789 is at 5.164470 3.524416 -2.632184 ESP Fit Center 9790 is at 4.740081 3.585434 -2.632184 ESP Fit Center 9791 is at 4.311814 3.565033 -2.632184 ESP Fit Center 9792 is at 6.668686 1.751117 -3.011336 ESP Fit Center 9793 is at 6.542790 2.152379 -3.011336 ESP Fit Center 9794 is at 6.338696 2.520085 -3.011336 ESP Fit Center 9795 is at 6.064762 2.839180 -3.011336 ESP Fit Center 9796 is at 5.732203 3.096600 -3.011336 ESP Fit Center 9797 is at 5.354632 3.281807 -3.011336 ESP Fit Center 9798 is at 4.947508 3.387219 -3.011336 ESP Fit Center 9799 is at 4.527499 3.408519 -3.011336 ESP Fit Center 9800 is at 4.111800 3.344837 -3.011336 ESP Fit Center 9801 is at 6.421721 1.756715 -3.354026 ESP Fit Center 9802 is at 6.275721 2.157846 -3.354026 ESP Fit Center 9803 is at 6.041149 2.514495 -3.354026 ESP Fit Center 9804 is at 5.730652 2.807435 -3.354026 ESP Fit Center 9805 is at 5.360967 3.020873 -3.354026 ESP Fit Center 9806 is at 4.952025 3.143302 -3.354026 ESP Fit Center 9807 is at 4.525872 3.168122 -3.354026 ESP Fit Center 9808 is at 4.105482 3.093996 -3.354026 ESP Fit Center 9809 is at 3.713518 2.924920 -3.354026 ESP Fit Center 9810 is at 6.118255 1.748939 -3.649842 ESP Fit Center 9811 is at 5.950876 2.134283 -3.649842 ESP Fit Center 9812 is at 5.685740 2.460180 -3.649842 ESP Fit Center 9813 is at 5.342509 2.702458 -3.649842 ESP Fit Center 9814 is at 4.946641 2.843150 -3.649842 ESP Fit Center 9815 is at 4.527495 2.871820 -3.649842 ESP Fit Center 9816 is at 4.116156 2.786343 -3.649842 ESP Fit Center 9817 is at 5.552025 2.104071 -3.889797 ESP Fit Center 9818 is at 5.232772 2.371957 -3.889797 ESP Fit Center 9819 is at 4.841149 2.514495 -3.889797 ESP Fit Center 9820 is at 4.424394 2.514495 -3.889797 ESP Fit Center 9821 is at 3.282797 -2.981272 0.568468 ESP Fit Center 9822 is at 3.272218 -3.287587 0.225777 ESP Fit Center 9823 is at 3.629114 -3.510042 0.225777 ESP Fit Center 9824 is at 3.416825 -3.597105 -0.153374 ESP Fit Center 9825 is at 3.806832 -3.775215 -0.153374 ESP Fit Center 9826 is at 4.223499 -3.876298 -0.153374 ESP Fit Center 9827 is at 4.651766 -3.896699 -0.153374 ESP Fit Center 9828 is at 3.242390 -3.616537 -0.557467 ESP Fit Center 9829 is at 3.615527 -3.817330 -0.557467 ESP Fit Center 9830 is at 4.018520 -3.948271 -0.557467 ESP Fit Center 9831 is at 4.438417 -4.005149 -0.557467 ESP Fit Center 9832 is at 4.861722 -3.986139 -0.557467 ESP Fit Center 9833 is at 5.274830 -3.891850 -0.557467 ESP Fit Center 9834 is at 5.664463 -3.725312 -0.557467 ESP Fit Center 9835 is at 3.723608 -3.899253 -0.974223 ESP Fit Center 9836 is at 4.127701 -4.007529 -0.974223 ESP Fit Center 9837 is at 4.544456 -4.043991 -0.974223 ESP Fit Center 9838 is at 4.961212 -4.007529 -0.974223 ESP Fit Center 9839 is at 5.365305 -3.899253 -0.974223 ESP Fit Center 9840 is at 5.744456 -3.722452 -0.974223 ESP Fit Center 9841 is at 6.087147 -3.482497 -0.974223 ESP Fit Center 9842 is at 3.615527 -3.817330 -1.390978 ESP Fit Center 9843 is at 4.018520 -3.948271 -1.390978 ESP Fit Center 9844 is at 4.438417 -4.005149 -1.390978 ESP Fit Center 9845 is at 4.861722 -3.986139 -1.390978 ESP Fit Center 9846 is at 5.274830 -3.891850 -1.390978 ESP Fit Center 9847 is at 5.664463 -3.725312 -1.390978 ESP Fit Center 9848 is at 6.018099 -3.491880 -1.390978 ESP Fit Center 9849 is at 3.806832 -3.775215 -1.795071 ESP Fit Center 9850 is at 4.223499 -3.876298 -1.795071 ESP Fit Center 9851 is at 4.651766 -3.896699 -1.795071 ESP Fit Center 9852 is at 5.076155 -3.835681 -1.795071 ESP Fit Center 9853 is at 5.481326 -3.695449 -1.795071 ESP Fit Center 9854 is at 5.852637 -3.481073 -1.795071 ESP Fit Center 9855 is at 4.023485 -3.656101 -2.174223 ESP Fit Center 9856 is at 4.439184 -3.719784 -2.174223 ESP Fit Center 9857 is at 4.859193 -3.698484 -2.174223 ESP Fit Center 9858 is at 5.266317 -3.593072 -2.174223 ESP Fit Center 9859 is at 5.643888 -3.407865 -2.174223 ESP Fit Center 9860 is at 4.017167 -3.405261 -2.516913 ESP Fit Center 9861 is at 4.437557 -3.479387 -2.516913 ESP Fit Center 9862 is at 4.863710 -3.454566 -2.516913 ESP Fit Center 9863 is at 5.272652 -3.332137 -2.516913 ESP Fit Center 9864 is at 5.642337 -3.118700 -2.516913 ESP Fit Center 9865 is at 4.027841 -3.097608 -2.812729 ESP Fit Center 9866 is at 4.439180 -3.183085 -2.812729 ESP Fit Center 9867 is at 4.858326 -3.154414 -2.812729 ESP Fit Center 9868 is at 5.254194 -3.013723 -2.812729 ESP Fit Center 9869 is at 4.336079 -2.825760 -3.052684 ESP Fit Center 9870 is at 4.752834 -2.825760 -3.052684 ESP Fit Center 9871 is at 7.923263 0.527773 -0.489623 ESP Fit Center 9872 is at 8.389554 -0.691514 -0.893716 ESP Fit Center 9873 is at 8.351571 -0.269488 -0.893716 ESP Fit Center 9874 is at 8.238842 0.138974 -0.893716 ESP Fit Center 9875 is at 8.054992 0.520743 -0.893716 ESP Fit Center 9876 is at 7.805929 0.863549 -0.893716 ESP Fit Center 9877 is at 7.499657 1.156375 -0.893716 ESP Fit Center 9878 is at 7.146022 -2.772836 -0.893716 ESP Fit Center 9879 is at 8.426015 -0.691514 -1.310471 ESP Fit Center 9880 is at 8.389554 -0.274759 -1.310471 ESP Fit Center 9881 is at 8.281278 0.129334 -1.310471 ESP Fit Center 9882 is at 8.104476 0.508486 -1.310471 ESP Fit Center 9883 is at 7.864522 0.851176 -1.310471 ESP Fit Center 9884 is at 7.568705 1.146992 -1.310471 ESP Fit Center 9885 is at 7.226015 1.386947 -1.310471 ESP Fit Center 9886 is at 7.226015 -2.769975 -1.310471 ESP Fit Center 9887 is at 7.568705 -2.530021 -1.310471 ESP Fit Center 9888 is at 7.864522 -2.234205 -1.310471 ESP Fit Center 9889 is at 8.104476 -1.891514 -1.310471 ESP Fit Center 9890 is at 8.281278 -1.512363 -1.310471 ESP Fit Center 9891 is at 8.389554 -1.108270 -1.310471 ESP Fit Center 9892 is at 8.389554 -0.691514 -1.727227 ESP Fit Center 9893 is at 8.351571 -0.269488 -1.727227 ESP Fit Center 9894 is at 8.238842 0.138974 -1.727227 ESP Fit Center 9895 is at 8.054992 0.520743 -1.727227 ESP Fit Center 9896 is at 7.805929 0.863549 -1.727227 ESP Fit Center 9897 is at 7.499657 1.156375 -1.727227 ESP Fit Center 9898 is at 7.146022 1.389807 -1.727227 ESP Fit Center 9899 is at 6.756389 -2.939373 -1.727227 ESP Fit Center 9900 is at 7.146022 -2.772836 -1.727227 ESP Fit Center 9901 is at 7.499657 -2.539403 -1.727227 ESP Fit Center 9902 is at 7.805929 -2.246578 -1.727227 ESP Fit Center 9903 is at 8.054992 -1.903772 -1.727227 ESP Fit Center 9904 is at 8.238842 -1.522002 -1.727227 ESP Fit Center 9905 is at 8.351571 -1.113540 -1.727227 ESP Fit Center 9906 is at 8.281278 -0.691514 -2.131320 ESP Fit Center 9907 is at 8.240522 -0.264703 -2.131320 ESP Fit Center 9908 is at 8.119728 0.146682 -2.131320 ESP Fit Center 9909 is at 7.923263 0.527773 -2.131320 ESP Fit Center 9910 is at 7.658225 0.864795 -2.131320 ESP Fit Center 9911 is at 7.334196 1.145568 -2.131320 ESP Fit Center 9912 is at 6.962885 -2.742973 -2.131320 ESP Fit Center 9913 is at 7.334196 -2.528597 -2.131320 ESP Fit Center 9914 is at 7.658225 -2.247823 -2.131320 ESP Fit Center 9915 is at 7.923263 -1.910801 -2.131320 ESP Fit Center 9916 is at 8.119728 -1.529711 -2.131320 ESP Fit Center 9917 is at 8.240522 -1.118325 -2.131320 ESP Fit Center 9918 is at 8.104476 -0.691514 -2.510471 ESP Fit Center 9919 is at 8.061930 -0.273123 -2.510471 ESP Fit Center 9920 is at 7.936033 0.128139 -2.510471 ESP Fit Center 9921 is at 7.731940 0.495844 -2.510471 ESP Fit Center 9922 is at 7.458006 0.814939 -2.510471 ESP Fit Center 9923 is at 7.125446 1.072360 -2.510471 ESP Fit Center 9924 is at 6.747876 -2.640595 -2.510471 ESP Fit Center 9925 is at 7.125446 -2.455388 -2.510471 ESP Fit Center 9926 is at 7.458006 -2.197968 -2.510471 ESP Fit Center 9927 is at 7.731940 -1.878873 -2.510471 ESP Fit Center 9928 is at 7.936033 -1.511168 -2.510471 ESP Fit Center 9929 is at 8.061930 -1.109905 -2.510471 ESP Fit Center 9930 is at 7.864522 -0.691514 -2.853162 ESP Fit Center 9931 is at 7.814965 -0.267525 -2.853162 ESP Fit Center 9932 is at 7.668965 0.133606 -2.853162 ESP Fit Center 9933 is at 7.434393 0.490255 -2.853162 ESP Fit Center 9934 is at 7.123895 0.783195 -2.853162 ESP Fit Center 9935 is at 6.754211 -2.379661 -2.853162 ESP Fit Center 9936 is at 7.123895 -2.166223 -2.853162 ESP Fit Center 9937 is at 7.434393 -1.873284 -2.853162 ESP Fit Center 9938 is at 7.668965 -1.516635 -2.853162 ESP Fit Center 9939 is at 7.814965 -1.115503 -2.853162 ESP Fit Center 9940 is at 7.568705 -0.691514 -3.148978 ESP Fit Center 9941 is at 7.511498 -0.275301 -3.148978 ESP Fit Center 9942 is at 7.344120 0.110043 -3.148978 ESP Fit Center 9943 is at 7.078983 0.435939 -3.148978 ESP Fit Center 9944 is at 6.339885 -2.201938 -3.148978 ESP Fit Center 9945 is at 6.735753 -2.061246 -3.148978 ESP Fit Center 9946 is at 7.078983 -1.818968 -3.148978 ESP Fit Center 9947 is at 7.344120 -1.493071 -3.148978 ESP Fit Center 9948 is at 7.511498 -1.107727 -3.148978 ESP Fit Center 9949 is at 7.226015 -0.691514 -3.388932 ESP Fit Center 9950 is at 7.153646 -0.281090 -3.388932 ESP Fit Center 9951 is at 6.945269 0.079831 -3.388932 ESP Fit Center 9952 is at 6.234393 -1.873284 -3.388932 ESP Fit Center 9953 is at 6.626015 -1.730745 -3.388932 ESP Fit Center 9954 is at 6.945269 -1.462859 -3.388932 ESP Fit Center 9955 is at 7.153646 -1.101938 -3.388932 ESP Fit Center 9956 is at 6.846864 -0.691514 -3.565734 ESP Fit Center 9957 is at 6.736891 -0.281090 -3.565734 ESP Fit Center 9958 is at 6.436439 -1.402390 -3.565734 ESP Fit Center 9959 is at 6.736891 -1.101938 -3.565734 ESP Fit Center 9960 is at 6.442771 -0.691514 -3.674010 ESP Fit Center 9961 is at 6.683215 -3.673068 2.746744 ESP Fit Center 9962 is at 3.219840 -2.149595 2.371187 ESP Fit Center 9963 is at 6.965668 -3.741400 2.371187 ESP Fit Center 9964 is at 7.332685 -3.552704 2.371187 ESP Fit Center 9965 is at 7.668317 -3.312580 2.371187 ESP Fit Center 9966 is at 7.965409 -3.026147 2.371187 ESP Fit Center 9967 is at 8.217631 -2.699509 2.371187 ESP Fit Center 9968 is at 7.147707 -3.779766 1.976917 ESP Fit Center 9969 is at 7.502591 -3.574874 1.976917 ESP Fit Center 9970 is at 7.825506 -3.322585 1.976917 ESP Fit Center 9971 is at 8.110166 -3.027811 1.976917 ESP Fit Center 9972 is at 7.172148 -3.829878 1.571276 ESP Fit Center 9973 is at 7.533768 -3.621096 1.571276 ESP Fit Center 9974 is at 7.862812 -3.364018 1.571276 ESP Fit Center 9975 is at 7.172148 -3.829878 1.161821 ESP Fit Center 9976 is at 7.533768 -3.621096 1.161821 ESP Fit Center 9977 is at 7.147707 -3.779766 0.756181 ESP Fit Center 9978 is at 7.502591 -3.574874 0.756181 ESP Fit Center 9979 is at 6.965668 -3.741400 0.361910 ESP Fit Center 9980 is at 7.332685 -3.552704 0.361910 ESP Fit Center 9981 is at 6.683215 -3.673068 -0.013647 ESP Fit Center 9982 is at 7.069375 -3.513116 -0.013647 ESP Fit Center 9983 is at 6.773938 -3.413954 -0.363492 ESP Fit Center 9984 is at 7.145130 -3.226802 -0.363492 ESP Fit Center 9985 is at 6.770901 -3.134157 -0.681111 ESP Fit Center 9986 is at 7.131880 -2.925746 -0.681111 ESP Fit Center 9987 is at 3.493388 1.348212 2.773700 ESP Fit Center 9988 is at 3.120365 1.154926 2.773700 ESP Fit Center 9989 is at 2.813321 0.868168 2.773700 ESP Fit Center 9990 is at 2.595031 0.509204 2.773700 ESP Fit Center 9991 is at 2.481682 0.104658 2.773700 ESP Fit Center 9992 is at 2.481682 -0.315468 2.773700 ESP Fit Center 9993 is at 3.482714 1.655865 2.477883 ESP Fit Center 9994 is at 3.090750 1.486788 2.477883 ESP Fit Center 9995 is at 2.748344 1.231876 2.477883 ESP Fit Center 9996 is at 2.473954 0.904871 2.477883 ESP Fit Center 9997 is at 2.282373 0.523401 2.477883 ESP Fit Center 9998 is at 2.183928 0.108033 2.477883 ESP Fit Center 9999 is at 2.183928 -0.318843 2.477883 ESP Fit Center **** is at 2.282373 -0.734211 2.477883 ESP Fit Center **** is at 2.473954 -1.115681 2.477883 ESP Fit Center **** is at 2.748344 -1.442686 2.477883 ESP Fit Center **** is at 3.489032 1.906705 2.135193 ESP Fit Center **** is at 3.094662 1.760647 2.135193 ESP Fit Center **** is at 2.737765 1.538191 2.135193 ESP Fit Center **** is at 2.432955 1.248447 2.135193 ESP Fit Center **** is at 2.192708 0.903276 2.135193 ESP Fit Center **** is at 2.026862 0.516810 2.135193 ESP Fit Center **** is at 1.942207 0.104869 2.135193 ESP Fit Center **** is at 1.942207 -0.315679 2.135193 ESP Fit Center **** is at 2.026862 -0.727620 2.135193 ESP Fit Center **** is at 2.192708 -1.114086 2.135193 ESP Fit Center **** is at 2.432955 -1.459257 2.135193 ESP Fit Center **** is at 2.737765 -1.749002 2.135193 ESP Fit Center **** is at 1.764953 -0.319781 1.756042 ESP Fit Center **** is at 1.846095 -0.740786 1.756042 ESP Fit Center **** is at 2.005447 -1.138826 1.756042 ESP Fit Center **** is at 2.237248 -1.499516 1.756042 ESP Fit Center **** is at 2.533121 -1.809819 1.756042 ESP Fit Center **** is at 2.882373 -2.058519 1.756042 ESP Fit Center **** is at 2.707937 -2.077951 1.351949 ESP Fit Center **** is at 4.974570 2.295429 2.414952 ESP Fit Center **** is at 5.810439 2.652388 2.119136 ESP Fit Center **** is at 5.384286 2.677209 2.119136 ESP Fit Center **** is at 4.963896 2.603082 2.119136 ESP Fit Center **** is at 4.571932 2.434006 2.119136 ESP Fit Center **** is at 6.590617 2.605686 1.776446 ESP Fit Center **** is at 6.213046 2.790894 1.776446 ESP Fit Center **** is at 5.805923 2.896305 1.776446 ESP Fit Center **** is at 5.385913 2.917606 1.776446 ESP Fit Center **** is at 4.970214 2.853923 1.776446 ESP Fit Center **** is at 4.575844 2.707864 1.776446 ESP Fit Center **** is at 4.218947 2.485409 1.776446 ESP Fit Center **** is at 7.388433 2.061099 1.397294 ESP Fit Center **** is at 7.123396 2.398122 1.397294 ESP Fit Center **** is at 6.799366 2.678895 1.397294 ESP Fit Center **** is at 6.428056 2.893271 1.397294 ESP Fit Center **** is at 6.022884 3.033502 1.397294 ESP Fit Center **** is at 5.598495 3.094520 1.397294 ESP Fit Center **** is at 5.170228 3.074119 1.397294 ESP Fit Center **** is at 4.753562 2.973037 1.397294 ESP Fit Center **** is at 4.363555 2.794927 1.397294 ESP Fit Center **** is at 4.014303 2.546226 1.397294 ESP Fit Center **** is at 7.816741 1.263838 0.993201 ESP Fit Center **** is at 7.704013 1.672300 0.993201 ESP Fit Center **** is at 7.520163 2.054070 0.993201 ESP Fit Center **** is at 7.271099 2.396876 0.993201 ESP Fit Center **** is at 6.964828 2.689701 0.993201 ESP Fit Center **** is at 6.611193 2.923134 0.993201 ESP Fit Center **** is at 6.221559 3.089671 0.993201 ESP Fit Center **** is at 5.808451 3.183960 0.993201 ESP Fit Center **** is at 5.385146 3.202971 0.993201 ESP Fit Center **** is at 4.965249 3.146092 0.993201 ESP Fit Center **** is at 4.562256 3.015152 0.993201 ESP Fit Center **** is at 4.189119 2.814358 0.993201 ESP Fit Center **** is at 7.854724 1.258568 0.576446 ESP Fit Center **** is at 7.746448 1.662661 0.576446 ESP Fit Center **** is at 7.569647 2.041812 0.576446 ESP Fit Center **** is at 7.329692 2.384503 0.576446 ESP Fit Center **** is at 7.033876 2.680319 0.576446 ESP Fit Center **** is at 6.691186 2.920273 0.576446 ESP Fit Center **** is at 6.312034 3.097075 0.576446 ESP Fit Center **** is at 5.907941 3.205351 0.576446 ESP Fit Center **** is at 5.491186 3.241812 0.576446 ESP Fit Center **** is at 5.074430 3.205351 0.576446 ESP Fit Center **** is at 4.670337 3.097075 0.576446 ESP Fit Center **** is at 7.816741 1.263838 0.159690 ESP Fit Center **** is at 7.704013 1.672300 0.159690 ESP Fit Center **** is at 7.520163 2.054070 0.159690 ESP Fit Center **** is at 7.271099 2.396876 0.159690 ESP Fit Center **** is at 6.964828 2.689701 0.159690 ESP Fit Center **** is at 6.611193 2.923134 0.159690 ESP Fit Center **** is at 6.221559 3.089671 0.159690 ESP Fit Center **** is at 5.808451 3.183960 0.159690 ESP Fit Center **** is at 5.385146 3.202971 0.159690 ESP Fit Center **** is at 4.965249 3.146092 0.159690 ESP Fit Center **** is at 7.705693 1.268624 -0.244403 ESP Fit Center **** is at 7.584899 1.680009 -0.244403 ESP Fit Center **** is at 7.388433 2.061099 -0.244403 ESP Fit Center **** is at 7.123396 2.398122 -0.244403 ESP Fit Center **** is at 6.799366 2.678895 -0.244403 ESP Fit Center **** is at 6.428056 2.893271 -0.244403 ESP Fit Center **** is at 6.022884 3.033502 -0.244403 ESP Fit Center **** is at 5.598495 3.094520 -0.244403 ESP Fit Center **** is at 5.170228 3.074119 -0.244403 ESP Fit Center **** is at 7.527101 1.260203 -0.623554 ESP Fit Center **** is at 7.401204 1.661466 -0.623554 ESP Fit Center **** is at 7.197111 2.029171 -0.623554 ESP Fit Center **** is at 6.923177 2.348266 -0.623554 ESP Fit Center **** is at 6.590617 2.605686 -0.623554 ESP Fit Center **** is at 6.213046 2.790894 -0.623554 ESP Fit Center **** is at 7.134135 1.666933 -0.966245 ESP Fit Center **** is at 6.899564 2.023582 -0.966245 ESP Fit Center **** is at 8.961933 -1.187885 2.166196 ESP Fit Center **** is at 8.919386 -0.769494 2.166196 ESP Fit Center **** is at 8.315462 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Center **** is at 8.003478 -3.269207 1.382952 ESP Fit Center **** is at 8.357114 -3.035774 1.382952 ESP Fit Center **** is at 8.663385 -2.742949 1.382952 ESP Fit Center **** is at 8.912448 -2.400142 1.382952 ESP Fit Center **** is at 9.096299 -2.018373 1.382952 ESP Fit Center **** is at 9.209027 -1.609911 1.382952 ESP Fit Center **** is at 9.283472 -1.187885 0.966196 ESP Fit Center **** is at 9.247010 -0.771130 0.966196 ESP Fit Center **** is at 9.138734 -0.367037 0.966196 ESP Fit Center **** is at 8.961933 0.012115 0.966196 ESP Fit Center **** is at 8.721978 0.354805 0.966196 ESP Fit Center **** is at 8.426162 0.650622 0.966196 ESP Fit Center **** is at 8.083472 0.890576 0.966196 ESP Fit Center **** is at 8.083472 -3.266346 0.966196 ESP Fit Center **** is at 8.426162 -3.026392 0.966196 ESP Fit Center **** is at 8.721978 -2.730575 0.966196 ESP Fit Center **** is at 8.961933 -2.387885 0.966196 ESP Fit Center **** is at 9.138734 -2.008734 0.966196 ESP Fit Center **** is at 9.247010 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**** is at 8.515682 0.368424 0.145348 ESP Fit Center **** is at 8.191652 0.649197 0.145348 ESP Fit Center **** is at 7.820341 -3.239344 0.145348 ESP Fit Center **** is at 8.191652 -3.024968 0.145348 ESP Fit Center **** is at 8.515682 -2.744194 0.145348 ESP Fit Center **** is at 8.780719 -2.407172 0.145348 ESP Fit Center **** is at 8.977185 -2.026081 0.145348 ESP Fit Center **** is at 9.097978 -1.614696 0.145348 ESP Fit Center **** is at 8.961933 -1.187885 -0.233804 ESP Fit Center **** is at 8.919386 -0.769494 -0.233804 ESP Fit Center **** is at 8.793489 -0.368232 -0.233804 ESP Fit Center **** is at 8.589396 -0.000526 -0.233804 ESP Fit Center **** is at 8.315462 0.318568 -0.233804 ESP Fit Center **** is at 7.982903 0.575989 -0.233804 ESP Fit Center **** is at 7.605332 -3.136966 -0.233804 ESP Fit Center **** is at 7.982903 -2.951759 -0.233804 ESP Fit Center **** is at 8.315462 -2.694339 -0.233804 ESP Fit Center **** is at 8.589396 -2.375244 -0.233804 ESP Fit Center **** is at 8.793489 -2.007538 -0.233804 ESP Fit Center **** is at 8.919386 -1.606276 -0.233804 ESP Fit Center **** is at 8.721978 -1.187885 -0.576494 ESP Fit Center **** is at 8.672421 -0.763896 -0.576494 ESP Fit Center **** is at 8.526421 -0.362765 -0.576494 ESP Fit Center **** is at 8.291849 -0.006116 -0.576494 ESP Fit Center **** is at 7.202725 -2.998461 -0.576494 ESP Fit Center **** is at 7.611667 -2.876032 -0.576494 ESP Fit Center **** is at 7.981352 -2.662594 -0.576494 ESP Fit Center **** is at 8.291849 -2.369654 -0.576494 ESP Fit Center **** is at 8.526421 -2.013005 -0.576494 ESP Fit Center **** is at 8.672421 -1.611874 -0.576494 ESP Fit Center **** is at 8.426162 -1.187885 -0.872311 ESP Fit Center **** is at 7.593209 -2.557617 -0.872311 ESP Fit Center **** is at 7.936440 -2.315339 -0.872311 ESP Fit Center **** is at 8.201576 -1.989442 -0.872311 ESP Fit Center **** is at 8.368955 -1.604098 -0.872311 ESP Fit Center **** is at 4.203575 -3.110881 3.158977 ESP Fit Center **** is at 4.510618 -3.397639 3.158977 ESP Fit Center **** is at 4.883642 -3.590924 3.158977 ESP Fit Center **** is at 5.294980 -3.676401 3.158977 ESP Fit Center **** is at 5.714127 -3.647731 3.158977 ESP Fit Center **** is at 3.672626 -2.766114 2.863161 ESP Fit Center **** is at 3.864207 -3.147583 2.863161 ESP Fit Center **** is at 4.138597 -3.474589 2.863161 ESP Fit Center **** is at 4.481004 -3.729501 2.863161 ESP Fit Center **** is at 4.872967 -3.898577 2.863161 ESP Fit Center **** is at 5.293357 -3.972704 2.863161 ESP Fit Center **** is at 5.719510 -3.947883 2.863161 ESP Fit Center **** is at 6.128452 -3.825454 2.863161 ESP Fit Center **** is at 3.332460 -2.347582 2.520470 ESP Fit Center **** is at 3.417116 -2.759522 2.520470 ESP Fit Center **** is at 3.582962 -3.145989 2.520470 ESP Fit Center **** is at 3.823208 -3.491160 2.520470 ESP Fit Center **** is at 4.128019 -3.780904 2.520470 ESP Fit Center **** is at 4.484915 -4.003359 2.520470 ESP Fit Center **** is at 4.879286 -4.149418 2.520470 ESP Fit Center **** is at 5.294985 -4.213101 2.520470 ESP Fit Center **** is at 5.714994 -4.191800 2.520470 ESP Fit Center **** is at 6.122117 -4.086389 2.520470 ESP Fit Center **** is at 6.499688 -3.901181 2.520470 ESP Fit Center **** is at 3.155207 -2.351684 2.141319 ESP Fit Center **** is at 3.236349 -2.772688 2.141319 ESP Fit Center **** is at 3.395700 -3.170728 2.141319 ESP Fit Center **** is at 3.627501 -3.531418 2.141319 ESP Fit Center **** is at 3.923374 -3.841721 2.141319 ESP Fit Center **** is at 4.272626 -4.090422 2.141319 ESP Fit Center **** is at 4.662633 -4.268532 2.141319 ESP Fit Center **** is at 5.079300 -4.369614 2.141319 ESP Fit Center **** is at 5.507567 -4.390015 2.141319 ESP Fit Center **** is at 5.931955 -4.328997 2.141319 ESP Fit Center **** is at 6.337127 -4.188766 2.141319 ESP Fit Center **** is at 6.708438 -3.974390 2.141319 ESP Fit Center **** is at 3.046233 -2.349173 1.737226 ESP Fit Center **** is at 3.121894 -2.766096 1.737226 ESP Fit Center **** is at 3.270782 -3.162808 1.737226 ESP Fit Center **** is at 3.488114 -3.526560 1.737226 ESP Fit Center **** is at 3.766904 -3.845661 1.737226 ESP Fit Center **** is at 4.098191 -4.109853 1.737226 ESP Fit Center **** is at 4.471327 -4.310647 1.737226 ESP Fit Center **** is at 4.874320 -4.441587 1.737226 ESP Fit Center **** is at 5.294217 -4.498466 1.737226 ESP Fit Center **** is at 5.717523 -4.479455 1.737226 ESP Fit Center **** is at 6.130631 -4.385166 1.737226 ESP Fit Center **** is at 6.520264 -4.218629 1.737226 ESP Fit Center **** is at 6.873899 -3.985196 1.737226 ESP Fit Center **** is at 3.036718 -2.554063 1.320470 ESP Fit Center **** is at 3.144995 -2.958156 1.320470 ESP Fit Center **** is at 3.321796 -3.337307 1.320470 ESP Fit Center **** is at 3.561750 -3.679998 1.320470 ESP Fit Center **** is at 3.857567 -3.975814 1.320470 ESP Fit Center **** is at 4.200257 -4.215768 1.320470 ESP Fit Center **** is at 4.579409 -4.392570 1.320470 ESP Fit Center **** is at 4.983501 -4.500846 1.320470 ESP Fit Center **** is at 5.400257 -4.537307 1.320470 ESP Fit Center **** is at 5.817013 -4.500846 1.320470 ESP Fit Center **** is at 6.221105 -4.392570 1.320470 ESP Fit Center **** is at 6.600257 -4.215768 1.320470 ESP Fit Center **** is at 6.942947 -3.975814 1.320470 ESP Fit Center **** is at 3.121894 -2.766096 0.903715 ESP Fit Center **** is at 3.270782 -3.162808 0.903715 ESP Fit Center **** is at 3.488114 -3.526560 0.903715 ESP Fit Center **** is at 3.766904 -3.845661 0.903715 ESP Fit Center **** is at 4.098191 -4.109853 0.903715 ESP Fit Center **** is at 4.471327 -4.310647 0.903715 ESP Fit Center **** is at 4.874320 -4.441587 0.903715 ESP Fit Center **** is at 5.294217 -4.498466 0.903715 ESP Fit Center **** is at 5.717523 -4.479455 0.903715 ESP Fit Center **** is at 6.130631 -4.385166 0.903715 ESP Fit Center **** is at 6.520264 -4.218629 0.903715 ESP Fit Center **** is at 6.873899 -3.985196 0.903715 ESP Fit Center **** is at 3.395700 -3.170728 0.499622 ESP Fit Center **** is at 3.627501 -3.531418 0.499622 ESP Fit Center **** is at 3.923374 -3.841721 0.499622 ESP Fit Center **** is at 4.272626 -4.090422 0.499622 ESP Fit Center **** is at 4.662633 -4.268532 0.499622 ESP Fit Center **** is at 5.079300 -4.369614 0.499622 ESP Fit Center **** is at 5.507567 -4.390015 0.499622 ESP Fit Center **** is at 5.931955 -4.328997 0.499622 ESP Fit Center **** is at 6.337127 -4.188766 0.499622 ESP Fit Center **** is at 6.708438 -3.974390 0.499622 ESP Fit Center **** is at 4.128019 -3.780904 0.120470 ESP Fit Center **** is at 4.484915 -4.003359 0.120470 ESP Fit Center **** is at 4.879286 -4.149418 0.120470 ESP Fit Center **** is at 5.294985 -4.213101 0.120470 ESP Fit Center **** is at 5.714994 -4.191800 0.120470 ESP Fit Center **** is at 6.122117 -4.086389 0.120470 ESP Fit Center **** is at 6.499688 -3.901181 0.120470 ESP Fit Center **** is at 5.293357 -3.972704 -0.222220 ESP Fit Center **** is at 5.719510 -3.947883 -0.222220 ESP Fit Center **** is at 6.128452 -3.825454 -0.222220 ESP Fit Center **** is at 6.498137 -3.612016 -0.222220 ESP Fit Center **** is at 6.109995 -3.507039 -0.518036 ESP Fit Center **** is at 5.901712 -0.658332 5.824591 ESP Fit Center **** is at 6.310212 -0.658332 5.796649 ESP Fit Center **** is at 6.105962 -0.304561 5.796649 ESP Fit Center **** is at 5.697462 -0.304561 5.796649 ESP Fit Center **** is at 5.493212 -0.658332 5.796649 ESP Fit Center **** is at 5.697462 -1.012103 5.796649 ESP Fit Center **** is at 6.105962 -1.012103 5.796649 ESP Fit Center **** is at 6.711103 -0.658332 5.713343 ESP Fit Center **** is at 6.602665 -0.253637 5.713343 ESP Fit Center **** is at 6.306407 0.042621 5.713343 ESP Fit Center **** is at 5.901712 0.151058 5.713343 ESP Fit Center **** is at 5.497017 0.042621 5.713343 ESP Fit Center **** is at 5.200760 -0.253637 5.713343 ESP Fit Center **** is at 5.092322 -0.658332 5.713343 ESP Fit Center **** is at 5.200760 -1.063027 5.713343 ESP Fit Center **** is at 5.497017 -1.359285 5.713343 ESP Fit Center **** is at 7.024836 -0.249548 5.576225 ESP Fit Center **** is at 6.817291 0.109930 5.576225 ESP Fit Center **** is at 6.499314 0.376744 5.576225 ESP Fit Center **** is at 6.109257 0.518713 5.576225 ESP Fit Center **** is at 5.694167 0.518713 5.576225 ESP Fit Center **** is at 5.304111 0.376744 5.576225 ESP Fit Center **** is at 4.986133 0.109930 5.576225 ESP Fit Center **** is at 4.986133 -1.426594 5.576225 ESP Fit Center **** is at 5.304111 -1.693408 5.576225 ESP Fit Center **** is at 7.402661 -0.237786 5.387849 ESP Fit Center **** is at 7.233540 0.151570 5.387849 ESP Fit Center **** is at 6.965643 0.480860 5.387849 ESP Fit Center **** is at 6.618839 0.725661 5.387849 ESP Fit Center **** is at 6.218850 0.867817 5.387849 ESP Fit Center **** is at 5.795339 0.896786 5.387849 ESP Fit Center **** is at 5.379718 0.810419 5.387849 ESP Fit Center **** is at 5.002811 0.615121 5.387849 ESP Fit Center **** is at 4.692571 -1.642042 5.387849 ESP Fit Center **** is at 5.002811 -1.931785 5.387849 ESP Fit Center **** is at 7.750713 -0.251336 5.151725 ESP Fit Center **** is at 7.619992 0.136629 5.151725 ESP Fit Center **** is at 7.408926 0.487422 5.151725 ESP Fit Center **** is at 7.127385 0.784642 5.151725 ESP Fit Center **** is at 6.788533 1.014389 5.151725 ESP Fit Center **** is at 6.408214 1.165922 5.151725 ESP Fit Center **** is at 6.004211 1.232155 5.151725 ESP Fit Center **** is at 5.595416 1.209991 5.151725 ESP Fit Center **** is at 5.200943 1.100466 5.151725 ESP Fit Center **** is at 4.839237 0.908702 5.151725 ESP Fit Center **** is at 4.839237 -2.225366 5.151725 ESP Fit Center **** is at 5.200943 -2.417130 5.151725 ESP Fit Center **** is at 8.054599 -0.243397 4.872251 ESP Fit Center **** is at 7.937166 0.156541 4.872251 ESP Fit Center **** is at 7.746167 0.527027 4.872251 ESP Fit Center **** is at 5.589686 1.511859 4.872251 ESP Fit Center **** is at 5.184613 1.413590 4.872251 ESP Fit Center **** is at 4.805458 1.240436 4.872251 ESP Fit Center **** is at 4.465925 -2.315319 4.872251 ESP Fit Center **** is at 4.805458 -2.557100 4.872251 ESP Fit Center **** is at 8.317368 -0.244126 4.554632 ESP Fit Center **** is at 8.212620 0.158164 4.554632 ESP Fit Center **** is at 5.184030 1.685146 4.554632 ESP Fit Center **** is at 4.798304 1.530149 4.554632 ESP Fit Center **** is at 4.444320 -2.628856 4.554632 ESP Fit Center **** is at 4.798304 -2.846813 4.554632 ESP Fit Center **** is at 8.532574 -0.241644 4.204786 ESP Fit Center **** is at 8.434999 0.164783 4.204786 ESP Fit Center **** is at 5.078597 1.874955 4.204786 ESP Fit Center **** is at 4.692438 1.715003 4.204786 ESP Fit Center **** is at 4.336055 -2.813275 4.204786 ESP Fit Center **** is at 4.692438 -3.031667 4.204786 ESP Fit Center **** is at 5.078597 -3.191619 4.204786 ESP Fit Center **** is at 8.698371 -0.246749 3.829230 ESP Fit Center **** is at 8.608641 0.156062 3.829230 ESP Fit Center **** is at 4.609188 1.855645 3.829230 ESP Fit Center **** is at 4.256924 1.640661 3.829230 ESP Fit Center **** is at 4.256924 -2.957325 3.829230 ESP Fit Center **** is at 4.609188 -3.172309 3.829230 ESP Fit Center **** is at 4.988999 -3.333712 3.829230 ESP Fit Center **** is at 8.838965 -0.658332 3.434959 ESP Fit Center **** is at 8.810379 -0.249546 3.434959 ESP Fit Center **** is at 8.725180 0.151284 3.434959 ESP Fit Center **** is at 4.433086 1.885403 3.434959 ESP Fit Center **** is at 4.093359 1.656254 3.434959 ESP Fit Center **** is at 4.093359 -2.972918 3.434959 ESP Fit Center **** is at 4.433086 -3.202067 3.434959 ESP Fit Center **** is at 4.801398 -3.381705 3.434959 ESP Fit Center **** is at 5.191127 -3.508335 3.434959 ESP Fit Center **** is at 8.894719 -0.658332 3.029318 ESP Fit Center **** is at 8.865591 -0.241786 3.029318 ESP Fit Center **** is at 8.778775 0.166652 3.029318 ESP Fit Center **** is at 4.405209 1.933687 3.029318 ESP Fit Center **** is at 4.059034 1.700189 3.029318 ESP Fit Center **** is at 3.748724 -2.737449 3.029318 ESP Fit Center **** is at 8.865591 -1.074878 3.029318 ESP Fit Center **** is at 8.894719 -0.658332 2.619864 ESP Fit Center **** is at 8.865591 -0.241786 2.619864 ESP Fit Center **** is at 8.778775 0.166652 2.619864 ESP Fit Center **** is at 4.405209 1.933687 2.619864 ESP Fit Center **** is at 8.778775 -1.483316 2.619864 ESP Fit Center **** is at 8.865591 -1.074878 2.619864 ESP Fit Center **** is at 8.810379 -0.249546 2.214223 ESP Fit Center **** is at 8.725180 0.151284 2.214223 ESP Fit Center **** is at 4.670579 -0.248107 5.588058 ESP Fit Center **** is at 4.462201 -0.609028 5.588058 ESP Fit Center **** is at 4.670579 -0.969949 5.588058 ESP Fit Center **** is at 4.468532 0.101848 5.479782 ESP Fit Center **** is at 4.168081 -0.198604 5.479782 ESP Fit Center **** is at 4.058108 -0.609028 5.479782 ESP Fit Center **** is at 4.168081 -1.019452 5.479782 ESP Fit Center **** is at 4.468532 -1.319903 5.479782 ESP Fit Center **** is at 4.670579 0.572742 5.302980 ESP Fit Center **** is at 4.278956 0.430203 5.302980 ESP Fit Center **** is at 3.959703 0.162317 5.302980 ESP Fit Center **** is at 3.751325 -0.198604 5.302980 ESP Fit Center **** is at 3.678956 -0.609028 5.302980 ESP Fit Center **** is at 3.751325 -1.019452 5.302980 ESP Fit Center **** is at 3.959703 -1.380373 5.302980 ESP Fit Center **** is at 4.278956 -1.648258 5.302980 ESP Fit Center **** is at 4.362341 0.844589 5.063026 ESP Fit Center **** is at 3.989317 0.651304 5.063026 ESP Fit Center **** is at 3.682274 0.364545 5.063026 ESP Fit Center **** is at 3.463983 0.005582 5.063026 ESP Fit Center **** is at 3.350635 -0.398965 5.063026 ESP Fit Center **** is at 3.350635 -0.819091 5.063026 ESP Fit Center **** is at 3.463983 -1.223637 5.063026 ESP Fit Center **** is at 3.682274 -1.582601 5.063026 ESP Fit Center **** is at 3.989317 -1.869359 5.063026 ESP Fit Center **** is at 4.362341 -2.062644 5.063026 ESP Fit Center **** is at 4.351667 1.152242 4.767210 ESP Fit Center **** is at 3.959703 0.983166 4.767210 ESP Fit Center **** is at 3.617297 0.728254 4.767210 ESP Fit Center **** is at 3.342907 0.401248 4.767210 ESP Fit Center **** is at 3.151325 0.019779 4.767210 ESP Fit Center **** is at 3.052881 -0.395590 4.767210 ESP Fit Center **** is at 3.052881 -0.822465 4.767210 ESP Fit Center **** is at 3.151325 -1.237834 4.767210 ESP Fit Center **** is at 3.342907 -1.619304 4.767210 ESP Fit Center **** is at 3.617297 -1.946309 4.767210 ESP Fit Center **** is at 3.959703 -2.201221 4.767210 ESP Fit Center **** is at 4.351667 -2.370298 4.767210 ESP Fit Center **** is at 4.357985 1.403083 4.424519 ESP Fit Center **** is at 3.963614 1.257024 4.424519 ESP Fit Center **** is at 3.606718 1.034569 4.424519 ESP Fit Center **** is at 3.301907 0.744825 4.424519 ESP Fit Center **** is at 3.061661 0.399653 4.424519 ESP Fit Center **** is at 2.895815 0.013187 4.424519 ESP Fit Center **** is at 2.811159 -0.398753 4.424519 ESP Fit Center **** is at 2.811159 -0.819302 4.424519 ESP Fit Center **** is at 2.895815 -1.231242 4.424519 ESP Fit Center **** is at 3.061661 -1.617709 4.424519 ESP Fit Center **** is at 3.301907 -1.962880 4.424519 ESP Fit Center **** is at 3.606718 -2.252624 4.424519 ESP Fit Center **** is at 3.963614 -2.475079 4.424519 ESP Fit Center **** is at 4.141332 1.522197 4.045368 ESP Fit Center **** is at 3.751325 1.344087 4.045368 ESP Fit Center **** is at 3.402074 1.095386 4.045368 ESP Fit Center **** is at 3.106201 0.785083 4.045368 ESP Fit Center **** is at 2.874399 0.424393 4.045368 ESP Fit Center **** is at 2.715048 0.026353 4.045368 ESP Fit Center **** is at 2.633906 -0.394651 4.045368 ESP Fit Center **** is at 2.633906 -0.823404 4.045368 ESP Fit Center **** is at 2.715048 -1.244409 4.045368 ESP Fit Center **** is at 2.874399 -1.642449 4.045368 ESP Fit Center **** is at 3.106201 -2.003138 4.045368 ESP Fit Center **** is at 3.402074 -2.313441 4.045368 ESP Fit Center **** is at 3.751325 -2.562142 4.045368 ESP Fit Center **** is at 3.950027 1.564312 3.641275 ESP Fit Center **** is at 3.576890 1.363518 3.641275 ESP Fit Center **** is at 3.245603 1.099326 3.641275 ESP Fit Center **** is at 2.966814 0.780225 3.641275 ESP Fit Center **** is at 2.749482 0.416473 3.641275 ESP Fit Center **** is at 2.600593 0.019761 3.641275 ESP Fit Center **** is at 2.524933 -0.397162 3.641275 ESP Fit Center **** is at 2.524933 -0.820894 3.641275 ESP Fit Center **** is at 2.600593 -1.237816 3.641275 ESP Fit Center **** is at 2.749482 -1.634529 3.641275 ESP Fit Center **** is at 2.966814 -1.998281 3.641275 ESP Fit Center **** is at 3.245603 -2.317381 3.641275 ESP Fit Center **** is at 3.576890 -2.581574 3.641275 ESP Fit Center **** is at 3.678956 1.469433 3.224519 ESP Fit Center **** is at 3.336266 1.229479 3.224519 ESP Fit Center **** is at 3.040450 0.933663 3.224519 ESP Fit Center **** is at 2.800495 0.590972 3.224519 ESP Fit Center **** is at 2.623694 0.211821 3.224519 ESP Fit Center **** is at 2.515418 -0.192272 3.224519 ESP Fit Center **** is at 2.478956 -0.609028 3.224519 ESP Fit Center **** is at 2.515418 -1.025783 3.224519 ESP Fit Center **** is at 2.623694 -1.429876 3.224519 ESP Fit Center **** is at 2.800495 -1.809028 3.224519 ESP Fit Center **** is at 3.040450 -2.151718 3.224519 ESP Fit Center **** is at 3.336266 -2.447534 3.224519 ESP Fit Center **** is at 3.678956 -2.687489 3.224519 ESP Fit Center **** is at 3.576890 1.363518 2.807764 ESP Fit Center **** is at 2.524933 -0.397162 2.807764 ESP Fit Center **** is at 2.524933 -0.820894 2.807764 ESP Fit Center **** is at 2.600593 -1.237816 2.807764 ESP Fit Center **** is at 2.749482 -1.634529 2.807764 ESP Fit Center **** is at 2.966814 -1.998281 2.807764 ESP Fit Center **** is at 3.245603 -2.317381 2.807764 ESP Fit Center **** is at 2.874399 -1.642449 2.403671 ESP Fit Center **** is at 3.106201 -2.003138 2.403671 ESP Fit Center **** is at 7.488443 0.750454 4.945703 ESP Fit Center **** is at 7.280065 1.111375 4.945703 ESP Fit Center **** is at 6.960812 1.379260 4.945703 ESP Fit Center **** is at 6.569190 1.521799 4.945703 ESP Fit Center **** is at 6.152434 1.521799 4.945703 ESP Fit Center **** is at 7.846295 0.756243 4.705748 ESP Fit Center **** is at 7.678916 1.141587 4.705748 ESP Fit Center **** is at 7.413780 1.467483 4.705748 ESP Fit Center **** is at 7.070550 1.709762 4.705748 ESP Fit Center **** is at 6.674681 1.850453 4.705748 ESP Fit Center **** is at 6.255535 1.879124 4.705748 ESP Fit Center **** is at 5.844196 1.793647 4.705748 ESP Fit Center **** is at 8.149761 0.764019 4.409932 ESP Fit Center **** is at 8.003761 1.165150 4.409932 ESP Fit Center **** is at 7.769190 1.521799 4.409932 ESP Fit Center **** is at 7.458692 1.814739 4.409932 ESP Fit Center **** is at 7.089007 2.028176 4.409932 ESP Fit Center **** is at 6.680065 2.150606 4.409932 ESP Fit Center **** is at 6.253912 2.175426 4.409932 ESP Fit Center **** is at 5.833522 2.101300 4.409932 ESP Fit Center **** is at 5.441558 1.932223 4.409932 ESP Fit Center **** is at 8.396727 0.758421 4.067242 ESP Fit Center **** is at 8.270830 1.159683 4.067242 ESP Fit Center **** is at 8.066737 1.527389 4.067242 ESP Fit Center **** is at 7.792803 1.846483 4.067242 ESP Fit Center **** is at 7.460243 2.103904 4.067242 ESP Fit Center **** is at 7.082672 2.289111 4.067242 ESP Fit Center **** is at 6.675548 2.394523 4.067242 ESP Fit Center **** is at 6.255539 2.415823 4.067242 ESP Fit Center **** is at 5.839840 2.352140 4.067242 ESP Fit Center **** is at 5.445470 2.206082 4.067242 ESP Fit Center **** is at 5.088573 1.983626 4.067242 ESP Fit Center **** is at 8.616074 0.340030 3.688090 ESP Fit Center **** is at 8.575319 0.766841 3.688090 ESP Fit Center **** is at 8.454525 1.178226 3.688090 ESP Fit Center **** is at 8.258059 1.559317 3.688090 ESP Fit Center **** is at 7.993022 1.896339 3.688090 ESP Fit Center **** is at 7.668992 2.177112 3.688090 ESP Fit Center **** is at 7.297682 2.391489 3.688090 ESP Fit Center **** is at 6.892510 2.531720 3.688090 ESP Fit Center **** is at 6.468121 2.592738 3.688090 ESP Fit Center **** is at 6.039854 2.572337 3.688090 ESP Fit Center **** is at 5.623188 2.471255 3.688090 ESP Fit Center **** is at 5.233181 2.293144 3.688090 ESP Fit Center **** is at 4.883929 2.044443 3.688090 ESP Fit Center **** is at 8.724350 0.340030 3.283997 ESP Fit Center **** is at 8.686367 0.762056 3.283997 ESP Fit Center **** is at 8.573639 1.170518 3.283997 ESP Fit Center **** is at 8.389789 1.552287 3.283997 ESP Fit Center **** is at 8.140725 1.895093 3.283997 ESP Fit Center **** is at 7.834454 2.187919 3.283997 ESP Fit Center **** is at 7.480819 2.421351 3.283997 ESP Fit Center **** is at 7.091185 2.587889 3.283997 ESP Fit Center **** is at 6.678077 2.682178 3.283997 ESP Fit Center **** is at 6.254772 2.701189 3.283997 ESP Fit Center **** is at 5.834875 2.644310 3.283997 ESP Fit Center **** is at 5.431882 2.513369 3.283997 ESP Fit Center **** is at 5.058745 2.312576 3.283997 ESP Fit Center **** is at 8.760812 0.340030 2.867242 ESP Fit Center **** is at 8.724350 0.756786 2.867242 ESP Fit Center **** is at 8.616074 1.160878 2.867242 ESP Fit Center **** is at 8.439273 1.540030 2.867242 ESP Fit Center **** is at 8.199318 1.882720 2.867242 ESP Fit Center **** is at 7.903502 2.178537 2.867242 ESP Fit Center **** is at 7.560812 2.418491 2.867242 ESP Fit Center **** is at 7.181660 2.595292 2.867242 ESP Fit Center **** is at 6.777567 2.703569 2.867242 ESP Fit Center **** is at 6.360812 2.740030 2.867242 ESP Fit Center **** is at 5.944056 2.703569 2.867242 ESP Fit Center **** is at 5.539963 2.595292 2.867242 ESP Fit Center **** is at 5.160812 2.418491 2.867242 ESP Fit Center **** is at 4.818121 2.178537 2.867242 ESP Fit Center **** is at 8.724350 0.340030 2.450486 ESP Fit Center **** is at 8.686367 0.762056 2.450486 ESP Fit Center **** is at 8.573639 1.170518 2.450486 ESP Fit Center **** is at 8.389789 1.552287 2.450486 ESP Fit Center **** is at 8.140725 1.895093 2.450486 ESP Fit Center **** is at 7.834454 2.187919 2.450486 ESP Fit Center **** is at 7.480819 2.421351 2.450486 ESP Fit Center **** is at 7.091185 2.587889 2.450486 ESP Fit Center **** is at 6.678077 2.682178 2.450486 ESP Fit Center **** is at 6.254772 2.701189 2.450486 ESP Fit Center **** is at 5.834875 2.644310 2.450486 ESP Fit Center **** is at 5.431882 2.513369 2.450486 ESP Fit Center **** is at 5.058745 2.312576 2.450486 ESP Fit Center **** is at 8.575319 0.766841 2.046393 ESP Fit Center **** is at 8.454525 1.178226 2.046393 ESP Fit Center **** is at 8.258059 1.559317 2.046393 ESP Fit Center **** is at 7.993022 1.896339 2.046393 ESP Fit Center **** is at 7.668992 2.177112 2.046393 ESP Fit Center **** is at 7.297682 2.391489 2.046393 ESP Fit Center **** is at 6.892510 2.531720 2.046393 ESP Fit Center **** is at 6.468121 2.592738 2.046393 ESP Fit Center **** is at 8.396727 0.758421 1.667242 ESP Fit Center **** is at 8.270830 1.159683 1.667242 ESP Fit Center **** is at 8.066737 1.527389 1.667242 ESP Fit Center **** is at 7.792803 1.846483 1.667242 ESP Fit Center **** is at 7.460243 2.103904 1.667242 ESP Fit Center **** is at 7.082672 2.289111 1.667242 ESP Fit Center **** is at 8.003761 1.165150 1.324551 ESP Fit Center **** is at 7.769190 1.521799 1.324551 ESP Fit Center **** is at 6.496547 -1.361636 5.825229 ESP Fit Center **** is at 6.913302 -1.361636 5.788768 ESP Fit Center **** is at 6.704924 -1.000715 5.788768 ESP Fit Center **** is at 6.288169 -1.000715 5.788768 ESP Fit Center **** is at 6.079791 -1.361636 5.788768 ESP Fit Center **** is at 6.288169 -1.722557 5.788768 ESP Fit Center **** is at 6.704924 -1.722557 5.788768 ESP Fit Center **** is at 7.317395 -1.361636 5.680491 ESP Fit Center **** is at 7.207422 -0.951212 5.680491 ESP Fit Center **** is at 6.906971 -0.650760 5.680491 ESP Fit Center **** is at 5.785671 -1.772060 5.680491 ESP Fit Center **** is at 6.086122 -2.072511 5.680491 ESP Fit Center **** is at 6.496547 -2.182484 5.680491 ESP Fit Center **** is at 6.906971 -2.072511 5.680491 ESP Fit Center **** is at 7.207422 -1.772060 5.680491 ESP Fit Center **** is at 7.696547 -1.361636 5.503690 ESP Fit Center **** is at 7.624178 -0.951212 5.503690 ESP Fit Center **** is at 7.415800 -0.590291 5.503690 ESP Fit Center **** is at 5.577293 -2.132981 5.503690 ESP Fit Center **** is at 5.896547 -2.400866 5.503690 ESP Fit Center **** is at 6.288169 -2.543405 5.503690 ESP Fit Center **** is at 6.704924 -2.543405 5.503690 ESP Fit Center **** is at 7.096547 -2.400866 5.503690 ESP Fit Center **** is at 7.415800 -2.132981 5.503690 ESP Fit Center **** is at 7.624178 -1.772060 5.503690 ESP Fit Center **** is at 8.039237 -1.361636 5.263736 ESP Fit Center **** is at 7.982030 -0.945423 5.263736 ESP Fit Center **** is at 7.814651 -0.560079 5.263736 ESP Fit Center **** is at 5.299864 -2.335209 5.263736 ESP Fit Center **** is at 5.606907 -2.621967 5.263736 ESP Fit Center **** is at 5.979931 -2.815252 5.263736 ESP Fit Center **** is at 6.391270 -2.900730 5.263736 ESP Fit Center **** is at 6.810416 -2.872059 5.263736 ESP Fit Center **** is at 7.206284 -2.731368 5.263736 ESP Fit Center **** is at 7.549515 -2.489089 5.263736 ESP Fit Center **** is at 7.814651 -2.163193 5.263736 ESP Fit Center **** is at 7.982030 -1.777849 5.263736 ESP Fit Center **** is at 8.335053 -1.361636 4.967919 ESP Fit Center **** is at 8.285496 -0.937647 4.967919 ESP Fit Center **** is at 8.139496 -0.536515 4.967919 ESP Fit Center **** is at 5.234887 -2.698917 4.967919 ESP Fit Center **** is at 5.577293 -2.953829 4.967919 ESP Fit Center **** is at 5.969257 -3.122906 4.967919 ESP Fit Center **** is at 6.389647 -3.197032 4.967919 ESP Fit Center **** is at 6.815800 -3.172211 4.967919 ESP Fit Center **** is at 7.224742 -3.049782 4.967919 ESP Fit Center **** is at 7.594427 -2.836345 4.967919 ESP Fit Center **** is at 7.904924 -2.543405 4.967919 ESP Fit Center **** is at 8.139496 -2.186756 4.967919 ESP Fit Center **** is at 8.285496 -1.785625 4.967919 ESP Fit Center **** is at 8.575008 -1.361636 4.625229 ESP Fit Center **** is at 8.532461 -0.943245 4.625229 ESP Fit Center **** is at 8.406565 -0.541982 4.625229 ESP Fit Center **** is at 5.224308 -3.005232 4.625229 ESP Fit Center **** is at 5.581205 -3.227687 4.625229 ESP Fit Center **** is at 5.975575 -3.373746 4.625229 ESP Fit Center **** is at 6.391274 -3.437429 4.625229 ESP Fit Center **** is at 6.811283 -3.416129 4.625229 ESP Fit Center **** is at 7.218407 -3.310717 4.625229 ESP Fit Center **** is at 7.595978 -3.125510 4.625229 ESP Fit Center **** is at 7.928537 -2.868089 4.625229 ESP Fit Center **** is at 8.202471 -2.548994 4.625229 ESP Fit Center **** is at 8.406565 -2.181289 4.625229 ESP Fit Center **** is at 8.532461 -1.780027 4.625229 ESP Fit Center **** is at 8.751809 -1.361636 4.246077 ESP Fit Center **** is at 8.711053 -0.934825 4.246077 ESP Fit Center **** is at 8.590260 -0.523439 4.246077 ESP Fit Center **** is at 5.368915 -3.314750 4.246077 ESP Fit Center **** is at 5.758923 -3.492860 4.246077 ESP Fit Center **** is at 6.175589 -3.593943 4.246077 ESP Fit Center **** is at 6.603856 -3.614344 4.246077 ESP Fit Center **** is at 7.028245 -3.553326 4.246077 ESP Fit Center **** is at 7.433416 -3.413094 4.246077 ESP Fit Center **** is at 7.804727 -3.198718 4.246077 ESP Fit Center **** is at 8.128757 -2.917945 4.246077 ESP Fit Center **** is at 8.393794 -2.580923 4.246077 ESP Fit Center **** is at 8.590260 -2.199832 4.246077 ESP Fit Center **** is at 8.711053 -1.788447 4.246077 ESP Fit Center **** is at 8.860085 -1.361636 3.841985 ESP Fit Center **** is at 8.822102 -0.939610 3.841985 ESP Fit Center **** is at 5.567617 -3.534975 3.841985 ESP Fit Center **** is at 5.970610 -3.665915 3.841985 ESP Fit Center **** is at 6.390507 -3.722794 3.841985 ESP Fit Center **** is at 6.813812 -3.703784 3.841985 ESP Fit Center **** is at 7.226920 -3.609495 3.841985 ESP Fit Center **** is at 7.616553 -3.442957 3.841985 ESP Fit Center **** is at 7.970189 -3.209525 3.841985 ESP Fit Center **** is at 8.276460 -2.916699 3.841985 ESP Fit Center **** is at 8.525523 -2.573893 3.841985 ESP Fit Center **** is at 8.709374 -2.192124 3.841985 ESP Fit Center **** is at 8.822102 -1.783662 3.841985 ESP Fit Center **** is at 8.896547 -1.361636 3.425229 ESP Fit Center **** is at 8.860085 -0.944880 3.425229 ESP Fit Center **** is at 5.675698 -3.616898 3.425229 ESP Fit Center **** is at 6.079791 -3.725174 3.425229 ESP Fit Center **** is at 6.496547 -3.761636 3.425229 ESP Fit Center **** is at 6.913302 -3.725174 3.425229 ESP Fit Center **** is at 7.317395 -3.616898 3.425229 ESP Fit Center **** is at 7.696547 -3.440097 3.425229 ESP Fit Center **** is at 8.039237 -3.200142 3.425229 ESP Fit Center **** is at 8.335053 -2.904326 3.425229 ESP Fit Center **** is at 8.575008 -2.561636 3.425229 ESP Fit Center **** is at 8.751809 -2.182484 3.425229 ESP Fit Center **** is at 8.860085 -1.778391 3.425229 ESP Fit Center **** is at 8.860085 -1.361636 3.008474 ESP Fit Center **** is at 6.390507 -3.722794 3.008474 ESP Fit Center **** is at 6.813812 -3.703784 3.008474 ESP Fit Center **** is at 7.226920 -3.609495 3.008474 ESP Fit Center **** is at 7.616553 -3.442957 3.008474 ESP Fit Center **** is at 7.970189 -3.209525 3.008474 ESP Fit Center **** is at 8.276460 -2.916699 3.008474 ESP Fit Center **** is at 8.525523 -2.573893 3.008474 ESP Fit Center **** is at 8.709374 -2.192124 3.008474 ESP Fit Center **** is at 8.822102 -1.783662 3.008474 ESP Fit Center **** is at 7.433416 -3.413094 2.604381 ESP Fit Center **** is at 7.804727 -3.198718 2.604381 ESP Fit Center **** is at 8.128757 -2.917945 2.604381 ESP Fit Center **** is at 8.393794 -2.580923 2.604381 ESP Fit Center **** is at 8.590260 -2.199832 2.604381 ESP Fit Center **** is at 8.711053 -1.788447 2.604381 Entering OneElI... OneElI was handed 2147246807 working-precision words. Calculate electrostatic properties NBasis = 374 MinDer = 0 MaxDer = 0 NGrid = 10701 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 2 Levels= 1 BoxLen= 22.46 SMaxX= 23.37 Shift= 10.361341 6.709295 5.371713 Box 1 Number 0 centers from 1 to 128: Box 2 Number 4 centers from 129 to 132: ShPair: Thresh= 1.00D-06 NBox= 2 BxSize= 2.25D+01 RnKept= 1.26D+01 NSMCal= 8778 NSMKep= 3242 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 34692642 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 178671933 working-precision words and 3242 shell-pairs PRISM was handed 178671933 working-precision words and 3242 shell-pairs PRISM was handed 178671933 working-precision words and 3242 shell-pairs PRISM was handed 178671933 working-precision words and 3242 shell-pairs PRISM was handed 178671933 working-precision words and 3242 shell-pairs PRISM was handed 178671933 working-precision words and 3242 shell-pairs PRISM was handed 178671933 working-precision words and 3242 shell-pairs PRISM was handed 178671933 working-precision words and 3242 shell-pairs PRISM was handed 178671933 working-precision words and 3242 shell-pairs PRISM was handed 178671933 working-precision words and 3242 shell-pairs PRISM was handed 178671933 working-precision words and 3242 shell-pairs PRISM was handed 178671933 working-precision words and 3242 shell-pairs IPart= 7 NShTot= 2835765 NBatch= 2668 AvBLen= 1062.9 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 2867868 NBatch= 2707 AvBLen= 1059.4 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 2932074 NBatch= 2779 AvBLen= 1055.1 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 3060486 NBatch= 2929 AvBLen= 1044.9 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 2685951 NBatch= 2478 AvBLen= 1083.9 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 2728755 NBatch= 2512 AvBLen= 1086.3 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 2825064 NBatch= 2661 AvBLen= 1061.7 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 2825064 NBatch= 2661 AvBLen= 1061.7 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 2942775 NBatch= 2796 AvBLen= 1052.5 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 2974878 NBatch= 2827 AvBLen= 1052.3 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 2996280 NBatch= 2847 AvBLen= 1052.4 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 3017682 NBatch= 2868 AvBLen= 1052.2 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 10657 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00149 RRMS= 0.09787: ESP charges: 1 1 C 0.345347 2 C -0.418812 3 O -0.725725 4 O -0.664936 5 C 0.911461 6 N -0.722721 7 C 0.773758 8 O -0.641951 9 N -0.147408 10 C 0.067074 11 C -0.452151 12 H 0.080729 13 H 0.118021 14 H 0.116425 15 H 0.425931 16 H 0.233642 17 C 0.211318 18 H 0.104977 19 H 0.466318 20 C -0.263785 21 C -0.173812 22 C 0.177394 23 C -0.306452 24 C -0.201773 25 H 0.140356 26 H 0.170087 27 C -0.257895 28 H 0.167934 29 H 0.232291 30 C 0.020361 31 C -0.025587 32 H 0.073642 33 H 0.096626 34 H -0.008594 35 H 0.012882 36 C 0.134566 37 H 0.042556 38 H 0.023857 39 H -0.021179 40 H -0.016379 41 C -0.289148 42 H 0.062563 43 H 0.062294 44 H 0.065901 Sum of ESP charges = 0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.426076 2 C -0.079389 3 O -0.259408 4 O -0.664936 5 C 0.911461 6 N -0.296790 7 C 0.773758 8 O -0.641951 9 N -0.147408 10 C 0.300716 11 C -0.452151 17 C 0.211318 20 C -0.123429 21 C -0.003726 22 C 0.177394 23 C -0.138518 24 C 0.030518 27 C -0.087628 30 C 0.024649 31 C 0.040827 36 C 0.097007 41 C -0.098390 Charge= 0.00000 Dipole= -0.5220 -4.3936 -1.6482 Tot= 4.7216 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.609346 2 Atom -14.716170 3 Atom -22.275849 4 Atom -22.344847 5 Atom -14.584000 6 Atom -18.265948 7 Atom -14.540877 8 Atom -22.340151 9 Atom -18.257284 10 Atom -14.647190 11 Atom -14.695456 12 Atom -1.096820 13 Atom -1.098249 14 Atom -1.095597 15 Atom -0.960921 16 Atom -1.049012 17 Atom -14.708851 18 Atom -1.096592 19 Atom -0.951777 20 Atom -14.724729 21 Atom -14.731879 22 Atom -14.730973 23 Atom -14.743289 24 Atom -14.745733 25 Atom -1.097972 26 Atom -1.104717 27 Atom -14.730156 28 Atom -1.115833 29 Atom -1.127482 30 Atom -14.735010 31 Atom -14.743359 32 Atom -1.128991 33 Atom -1.124244 34 Atom -1.131233 35 Atom -1.134225 36 Atom -14.739617 37 Atom -1.139507 38 Atom -1.136741 39 Atom -1.138079 40 Atom -1.137481 41 Atom -14.745011 42 Atom -1.133782 43 Atom -1.133447 44 Atom -1.135685 45 Fit 0.000845 46 Fit 0.007420 47 Fit -0.000612 48 Fit 0.000860 49 Fit 0.009154 50 Fit 0.015705 51 Fit 0.009715 52 Fit 0.014821 53 Fit 0.009091 54 Fit 0.010301 55 Fit 0.029824 56 Fit 0.020156 57 Fit 0.023694 58 Fit 0.019849 59 Fit 0.019415 60 Fit 0.011322 61 Fit 0.020417 62 Fit 0.016035 63 Fit 0.011126 64 Fit 0.011687 65 Fit 0.012601 66 Fit 0.011306 67 Fit 0.011108 68 Fit 0.012071 69 Fit 0.013183 70 Fit 0.013879 71 Fit 0.012006 72 Fit 0.011497 73 Fit 0.011173 74 Fit 0.010992 75 Fit 0.011568 76 Fit 0.012583 77 Fit 0.011691 78 Fit 0.011499 79 Fit 0.012774 80 Fit -0.016788 81 Fit -0.022563 82 Fit -0.020357 83 Fit -0.013814 84 Fit -0.008737 85 Fit -0.008951 86 Fit -0.016474 87 Fit -0.026102 88 Fit -0.025023 89 Fit -0.019917 90 Fit -0.013133 91 Fit -0.007070 92 Fit -0.002435 93 Fit 0.001531 94 Fit 0.004466 95 Fit 0.003420 96 Fit -0.003516 97 Fit -0.013477 98 Fit -0.021979 99 Fit -0.027524 100 Fit -0.026295 101 Fit -0.021554 102 Fit -0.014710 103 Fit -0.006825 104 Fit 0.016071 105 Fit 0.005584 106 Fit -0.006695 107 Fit -0.017272 108 Fit -0.024486 109 Fit -0.026949 110 Fit -0.025222 111 Fit -0.020412 112 Fit -0.013669 113 Fit 0.001373 114 Fit -0.010660 115 Fit -0.019612 116 Fit -0.025108 117 Fit -0.024382 118 Fit -0.021470 119 Fit -0.015260 120 Fit 0.000238 121 Fit -0.011365 122 Fit -0.019383 123 Fit -0.023738 124 Fit -0.019580 125 Fit -0.014799 126 Fit 0.011914 127 Fit -0.001919 128 Fit -0.011887 129 Fit -0.018186 130 Fit -0.020760 131 Fit -0.011977 132 Fit 0.011916 133 Fit -0.001394 134 Fit -0.010464 135 Fit -0.015420 136 Fit -0.016024 137 Fit 0.012409 138 Fit -0.000293 139 Fit -0.008417 140 Fit -0.011831 141 Fit -0.009812 142 Fit 0.013512 143 Fit 0.001354 144 Fit -0.005983 145 Fit -0.007974 146 Fit -0.003132 147 Fit 0.005231 148 Fit -0.002746 149 Fit -0.004693 150 Fit 0.001585 151 Fit 0.008684 152 Fit 0.000496 153 Fit -0.001858 154 Fit 0.003950 155 Fit 0.015788 156 Fit 0.006236 157 Fit 0.001418 158 Fit 0.004437 159 Fit 0.015894 160 Fit 0.013537 161 Fit 0.006941 162 Fit 0.006648 163 Fit -0.029250 164 Fit -0.035090 165 Fit -0.037860 166 Fit -0.032009 167 Fit -0.020959 168 Fit -0.017215 169 Fit -0.025458 170 Fit -0.039123 171 Fit -0.042844 172 Fit -0.043756 173 Fit -0.041282 174 Fit -0.033897 175 Fit -0.021436 176 Fit -0.008853 177 Fit -0.020666 178 Fit -0.031923 179 Fit -0.041597 180 Fit -0.044932 181 Fit -0.046880 182 Fit -0.047482 183 Fit -0.046067 184 Fit -0.041247 185 Fit -0.031174 186 Fit -0.014897 187 Fit -0.026578 188 Fit -0.035979 189 Fit -0.042263 190 Fit -0.045023 191 Fit -0.047249 192 Fit -0.048891 193 Fit -0.049690 194 Fit -0.049155 195 Fit -0.046344 196 Fit -0.039735 197 Fit -0.027210 198 Fit -0.031442 199 Fit -0.038301 200 Fit -0.039861 201 Fit -0.042627 202 Fit -0.045663 203 Fit -0.048263 204 Fit -0.050080 205 Fit -0.050940 206 Fit -0.050422 207 Fit -0.047614 208 Fit -0.040972 209 Fit -0.028050 210 Fit -0.022601 211 Fit -0.032581 212 Fit -0.040889 213 Fit -0.045533 214 Fit -0.048693 215 Fit -0.050645 216 Fit -0.051498 217 Fit -0.050957 218 Fit -0.048242 219 Fit -0.042012 220 Fit -0.030104 221 Fit -0.041522 222 Fit -0.046729 223 Fit -0.049686 224 Fit -0.051197 225 Fit -0.051363 226 Fit -0.049720 227 Fit -0.045284 228 Fit -0.036479 229 Fit -0.020798 230 Fit -0.044792 231 Fit -0.048624 232 Fit -0.050485 233 Fit -0.050842 234 Fit -0.049437 235 Fit -0.045489 236 Fit -0.037765 237 Fit -0.024571 238 Fit -0.043899 239 Fit -0.047901 240 Fit -0.049609 241 Fit -0.049626 242 Fit -0.047744 243 Fit -0.043265 244 Fit -0.035209 245 Fit -0.022601 246 Fit -0.005169 247 Fit -0.045010 248 Fit -0.047747 249 Fit -0.048226 250 Fit -0.046643 251 Fit -0.042505 252 Fit -0.035047 253 Fit -0.023720 254 Fit -0.008944 255 Fit -0.041495 256 Fit -0.045310 257 Fit -0.046251 258 Fit -0.044897 259 Fit -0.040996 260 Fit -0.033987 261 Fit -0.023511 262 Fit -0.039587 263 Fit -0.043098 264 Fit -0.043369 265 Fit -0.040610 266 Fit -0.034408 267 Fit -0.024295 268 Fit -0.037105 269 Fit -0.039889 270 Fit -0.039081 271 Fit -0.034049 272 Fit -0.024400 273 Fit -0.031110 274 Fit -0.034787 275 Fit -0.030512 276 Fit -0.019293 277 Fit -0.021079 278 Fit -0.026257 279 Fit 0.006550 280 Fit 0.001564 281 Fit -0.002564 282 Fit 0.009860 283 Fit -0.005175 284 Fit -0.014558 285 Fit -0.008619 286 Fit 0.017618 287 Fit 0.012070 288 Fit 0.004483 289 Fit -0.012542 290 Fit 0.020420 291 Fit 0.012771 292 Fit 0.006086 293 Fit -0.001697 294 Fit -0.019389 295 Fit 0.032606 296 Fit -0.000393 297 Fit -0.007867 298 Fit -0.012409 299 Fit -0.002893 300 Fit -0.010042 301 Fit 0.003010 302 Fit -0.009351 303 Fit 0.003115 304 Fit 0.012486 305 Fit 0.019920 306 Fit 0.027309 307 Fit 0.031023 308 Fit -0.010620 309 Fit -0.012225 310 Fit -0.006730 311 Fit 0.003331 312 Fit 0.012673 313 Fit 0.019154 314 Fit 0.020854 315 Fit -0.001198 316 Fit 0.005852 317 Fit 0.012840 318 Fit 0.005975 319 Fit 0.007014 320 Fit 0.005959 321 Fit 0.008161 322 Fit 0.011036 323 Fit 0.007594 324 Fit 0.006970 325 Fit 0.007193 326 Fit 0.005758 327 Fit 0.005021 328 Fit 0.009249 329 Fit 0.014201 330 Fit 0.005596 331 Fit 0.003449 332 Fit 0.012234 333 Fit 0.010991 334 Fit 0.008354 335 Fit 0.007245 336 Fit 0.002534 337 Fit 0.002550 338 Fit 0.010136 339 Fit 0.005263 340 Fit 0.018149 341 Fit 0.014723 342 Fit 0.011623 343 Fit -0.004503 344 Fit 0.022952 345 Fit 0.032235 346 Fit 0.014171 347 Fit 0.002795 348 Fit -0.004524 349 Fit 0.007762 350 Fit 0.014384 351 Fit 0.016127 352 Fit 0.014063 353 Fit 0.009745 354 Fit 0.005044 355 Fit -0.001072 356 Fit 0.005488 357 Fit 0.009137 358 Fit 0.010090 359 Fit 0.009585 360 Fit 0.009741 361 Fit 0.005094 362 Fit 0.006834 363 Fit 0.008323 364 Fit 0.009998 365 Fit 0.014169 366 Fit 0.010346 367 Fit 0.010085 368 Fit 0.012771 369 Fit 0.019627 370 Fit 0.015708 371 Fit 0.020891 372 Fit 0.029723 373 Fit 0.023665 374 Fit -0.000411 375 Fit 0.010083 376 Fit 0.005506 377 Fit -0.006817 378 Fit -0.006958 379 Fit 0.006142 380 Fit 0.016431 381 Fit 0.002608 382 Fit 0.011288 383 Fit 0.015942 384 Fit -0.002581 385 Fit 0.008088 386 Fit 0.012999 387 Fit 0.017290 388 Fit 0.021089 389 Fit 0.025904 390 Fit 0.004027 391 Fit 0.006744 392 Fit -0.001786 393 Fit 0.015879 394 Fit 0.011091 395 Fit 0.009452 396 Fit 0.038210 397 Fit 0.026955 398 Fit 0.023350 399 Fit 0.020635 400 Fit 0.021519 401 Fit 0.031585 402 Fit 0.027734 403 Fit 0.026453 404 Fit 0.029182 405 Fit -0.035196 406 Fit -0.026996 407 Fit -0.031329 408 Fit -0.038532 409 Fit -0.040744 410 Fit -0.036989 411 Fit -0.030459 412 Fit -0.015205 413 Fit -0.017926 414 Fit -0.024713 415 Fit -0.033439 416 Fit -0.040681 417 Fit -0.044227 418 Fit -0.044317 419 Fit -0.041764 420 Fit -0.037011 421 Fit -0.030760 422 Fit -0.024003 423 Fit -0.017887 424 Fit -0.007328 425 Fit -0.015690 426 Fit -0.026665 427 Fit -0.036876 428 Fit -0.043602 429 Fit -0.046656 430 Fit -0.047002 431 Fit -0.045477 432 Fit -0.042303 433 Fit -0.037296 434 Fit -0.030698 435 Fit -0.023635 436 Fit -0.016576 437 Fit -0.008840 438 Fit -0.015063 439 Fit -0.029333 440 Fit -0.039605 441 Fit -0.045558 442 Fit -0.048174 443 Fit -0.048573 444 Fit -0.047548 445 Fit -0.045380 446 Fit -0.041820 447 Fit -0.036290 448 Fit -0.028459 449 Fit -0.007191 450 Fit -0.026475 451 Fit -0.038757 452 Fit -0.045573 453 Fit -0.048650 454 Fit -0.049372 455 Fit -0.048672 456 Fit -0.046980 457 Fit -0.044190 458 Fit -0.039642 459 Fit -0.032140 460 Fit -0.024166 461 Fit -0.037535 462 Fit -0.044877 463 Fit -0.048361 464 Fit -0.049447 465 Fit -0.049095 466 Fit -0.047821 467 Fit -0.045696 468 Fit -0.042305 469 Fit -0.036641 470 Fit -0.014558 471 Fit -0.032020 472 Fit -0.041710 473 Fit -0.046648 474 Fit -0.048642 475 Fit -0.048855 476 Fit -0.047980 477 Fit -0.046269 478 Fit -0.043515 479 Fit -0.038957 480 Fit -0.030957 481 Fit -0.012847 482 Fit -0.030196 483 Fit -0.040019 484 Fit -0.045146 485 Fit -0.047314 486 Fit -0.047654 487 Fit -0.046833 488 Fit -0.045082 489 Fit -0.042171 490 Fit -0.037318 491 Fit -0.028847 492 Fit -0.018449 493 Fit -0.032002 494 Fit -0.039884 495 Fit -0.043937 496 Fit -0.045480 497 Fit -0.045389 498 Fit -0.044110 499 Fit -0.041644 500 Fit -0.037503 501 Fit -0.030578 502 Fit -0.015916 503 Fit -0.029016 504 Fit -0.036921 505 Fit -0.040963 506 Fit -0.042331 507 Fit -0.041805 508 Fit -0.039665 509 Fit -0.035629 510 Fit -0.028802 511 Fit -0.017345 512 Fit -0.012479 513 Fit -0.024906 514 Fit -0.032663 515 Fit -0.036554 516 Fit -0.037505 517 Fit -0.036059 518 Fit -0.032147 519 Fit -0.024936 520 Fit -0.014764 521 Fit -0.024891 522 Fit -0.029770 523 Fit -0.030230 524 Fit -0.026469 525 Fit -0.014194 526 Fit -0.020403 527 Fit -0.019110 528 Fit -0.003829 529 Fit -0.006626 530 Fit 0.012943 531 Fit 0.011640 532 Fit 0.008914 533 Fit 0.006409 534 Fit 0.010507 535 Fit 0.020797 536 Fit 0.002823 537 Fit -0.000133 538 Fit 0.003387 539 Fit 0.010147 540 Fit 0.020378 541 Fit -0.003714 542 Fit 0.003173 543 Fit 0.027867 544 Fit 0.027749 545 Fit 0.025518 546 Fit 0.022100 547 Fit 0.021747 548 Fit 0.021131 549 Fit 0.008445 550 Fit 0.003121 551 Fit 0.010971 552 Fit 0.002456 553 Fit -0.002428 554 Fit -0.002441 555 Fit -0.000932 556 Fit -0.001215 557 Fit -0.009358 558 Fit -0.003183 559 Fit -0.001183 560 Fit -0.003308 561 Fit -0.004236 562 Fit 0.000978 563 Fit 0.000499 564 Fit -0.003392 565 Fit 0.005041 566 Fit 0.007135 567 Fit 0.004441 568 Fit -0.000466 569 Fit 0.034780 570 Fit 0.021791 571 Fit 0.013710 572 Fit 0.018605 573 Fit 0.022760 574 Fit 0.012397 575 Fit 0.002586 576 Fit 0.009557 577 Fit 0.016460 578 Fit 0.022830 579 Fit 0.031950 580 Fit 0.022020 581 Fit 0.012979 582 Fit 0.007316 583 Fit 0.011328 584 Fit 0.019003 585 Fit 0.023493 586 Fit 0.021169 587 Fit 0.015424 588 Fit 0.009241 589 Fit 0.000053 590 Fit 0.008881 591 Fit -0.000002 592 Fit -0.006975 593 Fit -0.002796 594 Fit -0.000577 595 Fit -0.005857 596 Fit -0.007748 597 Fit -0.012963 598 Fit -0.011023 599 Fit -0.007584 600 Fit -0.010499 601 Fit -0.012534 602 Fit -0.015909 603 Fit -0.009181 604 Fit -0.002467 605 Fit 0.036372 606 Fit -0.010654 607 Fit 0.018773 608 Fit 0.019641 609 Fit -0.009439 610 Fit -0.001836 611 Fit 0.004260 612 Fit 0.007393 613 Fit 0.008306 614 Fit -0.009026 615 Fit -0.003363 616 Fit -0.000132 617 Fit 0.001275 618 Fit -0.006798 619 Fit -0.003583 620 Fit -0.002070 621 Fit -0.007537 622 Fit 0.004313 623 Fit 0.005088 624 Fit -0.000371 625 Fit -0.003929 626 Fit 0.003474 627 Fit 0.009642 628 Fit 0.008514 629 Fit 0.005597 630 Fit 0.005084 631 Fit -0.003426 632 Fit -0.018610 633 Fit -0.008583 634 Fit 0.002786 635 Fit 0.011036 636 Fit 0.015484 637 Fit 0.015290 638 Fit 0.010100 639 Fit 0.005301 640 Fit -0.019086 641 Fit -0.003618 642 Fit 0.007460 643 Fit 0.015215 644 Fit 0.020581 645 Fit 0.023444 646 Fit 0.021654 647 Fit -0.020874 648 Fit -0.003827 649 Fit 0.007777 650 Fit 0.016167 651 Fit 0.022839 652 Fit 0.028704 653 Fit 0.033683 654 Fit -0.010758 655 Fit 0.003173 656 Fit 0.013004 657 Fit 0.020760 658 Fit 0.027860 659 Fit 0.035548 660 Fit 0.044973 661 Fit -0.018292 662 Fit -0.001547 663 Fit 0.009835 664 Fit 0.018539 665 Fit 0.026316 666 Fit 0.034694 667 Fit 0.045584 668 Fit -0.005850 669 Fit 0.007037 670 Fit 0.016616 671 Fit 0.025068 672 Fit 0.034180 673 Fit -0.007638 674 Fit 0.005694 675 Fit 0.015745 676 Fit -0.017577 677 Fit -0.005546 678 Fit 0.004308 679 Fit -0.014282 680 Fit -0.007002 681 Fit -0.000773 682 Fit 0.004474 683 Fit 0.002684 684 Fit -0.005582 685 Fit -0.006909 686 Fit -0.004659 687 Fit -0.001314 688 Fit 0.001939 689 Fit 0.004753 690 Fit 0.007307 691 Fit 0.024843 692 Fit 0.018896 693 Fit 0.011140 694 Fit 0.005401 695 Fit 0.002829 696 Fit 0.002678 697 Fit 0.003774 698 Fit 0.005242 699 Fit 0.006624 700 Fit 0.007822 701 Fit 0.009116 702 Fit 0.019779 703 Fit 0.018674 704 Fit 0.015796 705 Fit 0.012260 706 Fit 0.009537 707 Fit 0.008179 708 Fit 0.007931 709 Fit 0.008267 710 Fit 0.008750 711 Fit 0.009160 712 Fit 0.009542 713 Fit 0.010374 714 Fit 0.015884 715 Fit 0.015086 716 Fit 0.013609 717 Fit 0.012118 718 Fit 0.011149 719 Fit 0.010736 720 Fit 0.010618 721 Fit 0.010538 722 Fit 0.010417 723 Fit 0.010484 724 Fit 0.013789 725 Fit 0.013729 726 Fit 0.013356 727 Fit 0.012746 728 Fit 0.012222 729 Fit 0.011830 730 Fit 0.011446 731 Fit 0.011046 732 Fit 0.010932 733 Fit 0.012555 734 Fit 0.012607 735 Fit 0.012705 736 Fit 0.012482 737 Fit 0.012069 738 Fit 0.011540 739 Fit 0.011173 740 Fit 0.011871 741 Fit 0.011971 742 Fit 0.011526 743 Fit 0.011344 744 Fit 0.011441 745 Fit 0.033031 746 Fit 0.038367 747 Fit 0.048508 748 Fit 0.023727 749 Fit 0.027508 750 Fit 0.032730 751 Fit 0.039558 752 Fit 0.049457 753 Fit 0.015993 754 Fit 0.018918 755 Fit 0.022836 756 Fit 0.027144 757 Fit 0.031804 758 Fit 0.037169 759 Fit 0.044035 760 Fit 0.053828 761 Fit 0.014591 762 Fit 0.018097 763 Fit 0.021813 764 Fit 0.025495 765 Fit 0.029133 766 Fit 0.032866 767 Fit 0.036947 768 Fit 0.041681 769 Fit 0.047175 770 Fit 0.011952 771 Fit 0.014815 772 Fit 0.018163 773 Fit 0.021472 774 Fit 0.024574 775 Fit 0.027438 776 Fit 0.030098 777 Fit 0.032592 778 Fit 0.034866 779 Fit 0.036560 780 Fit 0.036692 781 Fit 0.033691 782 Fit 0.012596 783 Fit 0.015432 784 Fit 0.018485 785 Fit 0.021350 786 Fit 0.023868 787 Fit 0.025972 788 Fit 0.027610 789 Fit 0.028673 790 Fit 0.028910 791 Fit 0.027894 792 Fit 0.025332 793 Fit 0.011608 794 Fit 0.013359 795 Fit 0.016081 796 Fit 0.018800 797 Fit 0.021133 798 Fit 0.022889 799 Fit 0.023936 800 Fit 0.024127 801 Fit 0.023290 802 Fit 0.021460 803 Fit 0.012999 804 Fit 0.015330 805 Fit 0.017691 806 Fit 0.019491 807 Fit 0.020421 808 Fit 0.020308 809 Fit 0.019180 810 Fit 0.017875 811 Fit 0.013698 812 Fit 0.015698 813 Fit 0.017121 814 Fit 0.017339 815 Fit 0.016497 816 Fit 0.013555 817 Fit 0.014854 818 Fit 0.014858 819 Fit 0.018655 820 Fit 0.016306 821 Fit 0.020390 822 Fit 0.022517 823 Fit 0.018643 824 Fit 0.014793 825 Fit 0.019757 826 Fit 0.024427 827 Fit 0.025763 828 Fit 0.022610 829 Fit 0.015721 830 Fit 0.009519 831 Fit 0.010102 832 Fit 0.017588 833 Fit 0.024134 834 Fit 0.027734 835 Fit 0.027724 836 Fit 0.023750 837 Fit 0.015539 838 Fit 0.003931 839 Fit 0.004008 840 Fit 0.015263 841 Fit 0.023485 842 Fit 0.028210 843 Fit 0.029542 844 Fit 0.027420 845 Fit 0.021381 846 Fit 0.010409 847 Fit 0.001198 848 Fit 0.014865 849 Fit 0.023567 850 Fit 0.028362 851 Fit 0.029868 852 Fit 0.028224 853 Fit 0.023059 854 Fit 0.013270 855 Fit -0.003413 856 Fit 0.007764 857 Fit 0.019353 858 Fit 0.025937 859 Fit 0.028850 860 Fit 0.028608 861 Fit 0.025150 862 Fit 0.017774 863 Fit 0.004733 864 Fit 0.007550 865 Fit 0.018904 866 Fit 0.025002 867 Fit 0.027302 868 Fit 0.026328 869 Fit 0.021982 870 Fit 0.013533 871 Fit -0.000493 872 Fit 0.000588 873 Fit 0.014208 874 Fit 0.021592 875 Fit 0.024526 876 Fit 0.023795 877 Fit 0.019592 878 Fit 0.011912 879 Fit 0.012629 880 Fit 0.019125 881 Fit 0.021206 882 Fit 0.019565 883 Fit 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**** Fit -0.000964 **** Fit -0.001530 **** Fit -0.002193 **** Fit -0.001325 **** Fit -0.000826 **** Fit -0.000421 **** Fit -0.000109 **** Fit 0.000108 **** Fit 0.000224 **** Fit 0.000229 **** Fit 0.000118 **** Fit -0.000116 **** Fit -0.000473 **** Fit -0.000949 **** Fit -0.001487 **** Fit -0.002086 **** Fit -0.000956 **** Fit -0.000626 **** Fit -0.000356 **** Fit -0.000142 **** Fit 0.000012 **** Fit 0.000094 **** Fit 0.000090 **** Fit -0.000012 **** Fit -0.000219 **** Fit -0.000537 **** Fit -0.000963 **** Fit -0.001415 **** Fit -0.000537 **** Fit -0.000422 **** Fit -0.000309 **** Fit -0.000223 **** Fit -0.000191 **** Fit -0.000236 **** Fit -0.000374 **** Fit -0.000615 **** Fit -0.000965 **** Fit -0.000778 **** Fit -0.000681 **** Fit -0.000618 **** Fit -0.000623 **** Fit -0.000721 **** Fit -0.000931 ----------------------------------------------------------------- Leave Link 602 at Tue May 7 10:00:07 2024, MaxMem= 2147483648 cpu: 3.1 elap: 0.4 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 0.061870167 -0.030204185 0.030852191 2 6 0.002074774 0.001211355 -0.002702285 3 8 0.031955454 -0.016545781 0.005434644 4 8 0.037535460 -0.018836603 0.010179202 5 6 -0.100516100 0.028185633 -0.012245101 6 7 0.022381025 -0.040045151 0.027524039 7 6 0.091028489 0.015407674 -0.026146937 8 8 -0.052140586 -0.005056922 0.011839679 9 7 -0.057612028 0.014291564 -0.016765123 10 6 0.000352356 0.028018458 -0.016226620 11 6 -0.006024555 -0.009339654 0.007124122 12 1 -0.015123150 -0.004040759 0.008326150 13 1 -0.001883004 -0.012690757 0.001946860 14 1 -0.006847489 0.007360305 0.000701533 15 1 0.005095368 0.014997964 -0.010405394 16 1 0.012257486 -0.008578547 0.003716764 17 6 0.027939952 -0.027256562 0.015407686 18 1 0.009927771 0.001142786 -0.006142273 19 1 -0.035474697 0.027677817 -0.012399505 20 6 0.015895515 0.041387945 -0.029144149 21 6 -0.037631685 0.020246560 -0.009403975 22 6 0.002585884 -0.028620158 0.025825334 23 6 0.050571552 0.020864480 -0.018581366 24 6 -0.056348346 -0.002877183 0.007494709 25 1 0.007458139 -0.007534151 0.004192040 26 1 -0.002891336 -0.007381927 0.005860767 27 6 0.002229852 -0.021344045 0.007565498 28 1 -0.003102382 0.006625308 -0.004003955 29 1 -0.001861960 0.004940396 -0.003140930 30 6 -0.002060686 0.016864977 -0.007870457 31 6 -0.001799142 -0.014812643 0.014555971 32 1 -0.004492369 0.008974512 -0.006985309 33 1 0.006909390 -0.007550099 0.007625497 34 1 -0.009705902 0.005136090 -0.001827366 35 1 0.009978404 -0.000859454 -0.000086152 36 6 0.001297222 0.009051911 -0.012005879 37 1 -0.010922491 0.000576312 0.001579072 38 1 0.008183433 -0.003536910 0.001529226 39 1 0.010125723 -0.001309278 -0.001138233 40 1 -0.008938460 0.004091598 -0.001135875 41 6 -0.002385063 -0.008666271 0.003546663 42 1 -0.010557975 -0.002770598 -0.000756469 43 1 0.007808437 -0.007954377 -0.000760877 44 1 0.002857549 0.010758371 -0.002953417 ------------------------------------------------------------------- Cartesian Forces: Max 0.100516100 RMS 0.021543357 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.058119206 RMS 0.010845404 Search for a local minimum. Step number 1 out of a maximum of 246 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 0.00230 0.00230 0.00289 0.00300 Eigenvalues --- 0.00545 0.00613 0.01380 0.01427 0.01487 Eigenvalues --- 0.01505 0.01539 0.01630 0.01834 0.01871 Eigenvalues --- 0.01875 0.01953 0.02048 0.02061 0.02103 Eigenvalues --- 0.02161 0.02243 0.02409 0.02462 0.02483 Eigenvalues --- 0.02541 0.02589 0.03660 0.03903 0.03905 Eigenvalues --- 0.04322 0.04848 0.04925 0.04944 0.05445 Eigenvalues --- 0.05595 0.05688 0.05728 0.05751 0.05760 Eigenvalues --- 0.05790 0.07603 0.07652 0.07935 0.08086 Eigenvalues --- 0.08908 0.11654 0.11690 0.11922 0.12566 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.17363 0.19828 Eigenvalues --- 0.21938 0.21945 0.21982 0.22000 0.22080 Eigenvalues --- 0.22969 0.22999 0.23941 0.23998 0.24990 Eigenvalues --- 0.24996 0.24997 0.24998 0.24999 0.25000 Eigenvalues --- 0.25000 0.27317 0.28220 0.28251 0.28873 Eigenvalues --- 0.28944 0.30689 0.31191 0.33276 0.33532 Eigenvalues --- 0.33538 0.33646 0.33661 0.33688 0.33709 Eigenvalues --- 0.33716 0.33721 0.33736 0.33736 0.33748 Eigenvalues --- 0.33751 0.33763 0.33789 0.33789 0.33870 Eigenvalues --- 0.34978 0.36238 0.37818 0.38156 0.38812 Eigenvalues --- 0.38826 0.39346 0.43355 0.44925 0.47944 Eigenvalues --- 0.48728 0.50141 0.51494 0.52220 0.55066 Eigenvalues --- 0.56241 0.56828 0.58525 0.58901 0.87643 Eigenvalues --- 0.91165 RFO step: Lambda=-6.39076033D-02 EMin= 2.30000000D-03 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.748 Iteration 1 RMS(Cart)= 0.09347259 RMS(Int)= 0.00126243 Iteration 2 RMS(Cart)= 0.00330346 RMS(Int)= 0.00014027 Iteration 3 RMS(Cart)= 0.00000364 RMS(Int)= 0.00014025 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00014025 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.91660 -0.00551 0.00000 -0.01192 -0.01192 2.90469 R2 2.67234 -0.00966 0.00000 -0.01454 -0.01454 2.65780 R3 2.61999 0.05812 0.00000 0.08005 0.08005 2.70004 R4 2.07932 -0.01735 0.00000 -0.03243 -0.03243 2.04689 R5 2.08127 -0.01272 0.00000 -0.02384 -0.02384 2.05744 R6 2.07688 -0.00930 0.00000 -0.01732 -0.01732 2.05956 R7 2.08117 -0.01159 0.00000 -0.02172 -0.02172 2.05945 R8 1.87871 -0.04665 0.00000 -0.06334 -0.06334 1.81536 R9 2.32401 -0.04197 0.00000 -0.03219 -0.03219 2.29181 R10 2.51217 0.04452 0.00000 0.05191 0.05201 2.56418 R11 2.80716 -0.00507 0.00000 -0.00796 -0.00784 2.79932 R12 2.56375 0.00530 0.00000 0.00728 0.00727 2.57102 R13 1.85087 0.01890 0.00000 0.02444 0.02444 1.87531 R14 2.34038 -0.05320 0.00000 -0.04234 -0.04234 2.29804 R15 2.57013 0.00080 0.00000 0.00004 -0.00007 2.57006 R16 2.63107 -0.00149 0.00000 -0.00391 -0.00401 2.62706 R17 2.52103 0.00978 0.00000 0.01061 0.01062 2.53165 R18 1.99151 0.00725 0.00000 0.01186 0.01186 2.00337 R19 2.86609 -0.00408 0.00000 -0.00823 -0.00823 2.85787 R20 2.79568 -0.03094 0.00000 -0.05645 -0.05642 2.73926 R21 2.52966 0.02736 0.00000 0.03209 0.03200 2.56166 R22 2.51434 0.02487 0.00000 0.02824 0.02835 2.54269 R23 1.99880 0.01122 0.00000 0.01857 0.01857 2.01737 R24 2.76220 -0.02889 0.00000 -0.05018 -0.05009 2.71210 R25 2.00839 0.00971 0.00000 0.01631 0.01631 2.02470 R26 2.51529 0.02835 0.00000 0.03233 0.03229 2.54759 R27 2.85649 0.00517 0.00000 0.01029 0.01029 2.86678 R28 2.77150 -0.03172 0.00000 -0.05571 -0.05582 2.71568 R29 2.01331 0.00721 0.00000 0.01220 0.01220 2.02551 R30 1.99900 0.00558 0.00000 0.00924 0.00924 2.00824 R31 2.93657 -0.00188 0.00000 -0.00417 -0.00417 2.93241 R32 2.07758 -0.00759 0.00000 -0.01414 -0.01414 2.06344 R33 2.07906 -0.01212 0.00000 -0.02265 -0.02265 2.05641 R34 2.91593 -0.00245 0.00000 -0.00530 -0.00530 2.91063 R35 2.07823 -0.01046 0.00000 -0.01951 -0.01951 2.05872 R36 2.07778 -0.00896 0.00000 -0.01671 -0.01671 2.06107 R37 2.90119 0.00198 0.00000 0.00419 0.00419 2.90538 R38 2.07550 -0.01035 0.00000 -0.01924 -0.01924 2.05627 R39 2.07688 -0.00831 0.00000 -0.01549 -0.01549 2.06140 R40 2.07860 -0.00931 0.00000 -0.01738 -0.01738 2.06122 R41 2.07753 -0.00904 0.00000 -0.01686 -0.01686 2.06067 R42 2.90269 0.00097 0.00000 0.00205 0.00205 2.90474 R43 2.07733 -0.01004 0.00000 -0.01872 -0.01872 2.05861 R44 2.07811 -0.01023 0.00000 -0.01908 -0.01908 2.05903 R45 2.07804 -0.00954 0.00000 -0.01781 -0.01781 2.06023 A1 1.90951 0.00476 0.00000 0.01818 0.01852 1.92803 A2 1.91683 0.01100 0.00000 0.03430 0.03443 1.95127 A3 1.89909 -0.00244 0.00000 0.00066 0.00070 1.89979 A4 1.89781 -0.01146 0.00000 -0.03662 -0.03706 1.86075 A5 1.94155 0.00036 0.00000 -0.00600 -0.00645 1.93509 A6 1.89901 -0.00200 0.00000 -0.00985 -0.01030 1.88871 A7 1.90893 0.00222 0.00000 0.00753 0.00749 1.91641 A8 1.90977 0.00470 0.00000 0.01540 0.01536 1.92512 A9 1.91517 0.00108 0.00000 0.00384 0.00381 1.91897 A10 1.90952 -0.00363 0.00000 -0.01258 -0.01264 1.89688 A11 1.91024 -0.00138 0.00000 -0.00396 -0.00398 1.90626 A12 1.91017 -0.00301 0.00000 -0.01026 -0.01030 1.89987 A13 1.90118 -0.00232 0.00000 -0.00774 -0.00774 1.89344 A14 2.06987 -0.00059 0.00000 -0.00277 -0.00289 2.06698 A15 2.12262 0.02331 0.00000 0.05421 0.05409 2.17671 A16 2.09068 -0.02271 0.00000 -0.05140 -0.05118 2.03950 A17 2.11606 0.03068 0.00000 0.08318 0.08327 2.19933 A18 2.08946 -0.01412 0.00000 -0.03752 -0.03757 2.05189 A19 2.07767 -0.01656 0.00000 -0.04566 -0.04571 2.03196 A20 2.10192 0.00412 0.00000 0.01128 0.01128 2.11321 A21 2.09158 -0.02403 0.00000 -0.05997 -0.06015 2.03143 A22 2.08954 0.01994 0.00000 0.04900 0.04901 2.13855 A23 2.06179 0.00302 0.00000 0.01076 0.01086 2.07265 A24 2.10220 -0.00356 0.00000 -0.00492 -0.00481 2.09739 A25 2.11885 0.00055 0.00000 -0.00574 -0.00595 2.11290 A26 2.09961 0.02500 0.00000 0.05855 0.05847 2.15809 A27 2.07957 -0.02603 0.00000 -0.07449 -0.07445 2.00513 A28 2.10400 0.00103 0.00000 0.01593 0.01597 2.11997 A29 2.04950 -0.00948 0.00000 -0.02454 -0.02440 2.02509 A30 2.14180 0.00370 0.00000 0.00978 0.00971 2.15152 A31 2.09187 0.00579 0.00000 0.01477 0.01470 2.10657 A32 2.08859 -0.00507 0.00000 -0.01170 -0.01167 2.07692 A33 2.12517 0.01420 0.00000 0.03424 0.03427 2.15944 A34 2.06941 -0.00914 0.00000 -0.02254 -0.02260 2.04682 A35 2.10460 0.00554 0.00000 0.01350 0.01364 2.11824 A36 2.09602 -0.00076 0.00000 -0.00003 -0.00010 2.09592 A37 2.08257 -0.00478 0.00000 -0.01347 -0.01354 2.06903 A38 2.09806 0.00510 0.00000 0.01225 0.01245 2.11051 A39 2.09215 -0.00093 0.00000 -0.00071 -0.00081 2.09134 A40 2.09297 -0.00417 0.00000 -0.01154 -0.01164 2.08133 A41 2.09049 -0.01236 0.00000 -0.03038 -0.03033 2.06017 A42 2.09878 -0.00134 0.00000 -0.00275 -0.00277 2.09601 A43 2.09383 0.01370 0.00000 0.03311 0.03309 2.12692 A44 2.09948 0.00765 0.00000 0.01938 0.01924 2.11872 A45 2.09002 0.00040 0.00000 0.00441 0.00449 2.09451 A46 2.09369 -0.00804 0.00000 -0.02380 -0.02372 2.06996 A47 2.10431 0.00321 0.00000 0.00778 0.00758 2.11188 A48 2.09967 0.00096 0.00000 0.00466 0.00476 2.10443 A49 2.07921 -0.00416 0.00000 -0.01244 -0.01234 2.06687 A50 1.93634 0.01453 0.00000 0.04363 0.04332 1.97966 A51 1.89549 -0.00423 0.00000 -0.00613 -0.00711 1.88838 A52 1.92474 -0.00399 0.00000 -0.01242 -0.01233 1.91241 A53 1.85086 0.00206 0.00000 0.01915 0.01878 1.86963 A54 1.92162 -0.00555 0.00000 -0.01724 -0.01704 1.90457 A55 1.93352 -0.00248 0.00000 -0.02567 -0.02573 1.90778 A56 1.94088 0.01386 0.00000 0.04079 0.04068 1.98156 A57 1.91094 -0.00342 0.00000 -0.00607 -0.00627 1.90467 A58 1.89988 -0.00395 0.00000 -0.00991 -0.01001 1.88987 A59 1.90999 -0.00327 0.00000 -0.00486 -0.00501 1.90498 A60 1.89521 -0.00325 0.00000 -0.00645 -0.00647 1.88873 A61 1.90659 -0.00013 0.00000 -0.01435 -0.01450 1.89209 A62 1.90318 0.01536 0.00000 0.04491 0.04481 1.94799 A63 1.91967 -0.00371 0.00000 -0.00686 -0.00703 1.91264 A64 1.91212 -0.00429 0.00000 -0.01025 -0.01035 1.90177 A65 1.90795 -0.00387 0.00000 -0.00690 -0.00705 1.90091 A66 1.90980 -0.00385 0.00000 -0.00791 -0.00796 1.90184 A67 1.91104 0.00039 0.00000 -0.01281 -0.01299 1.89805 A68 1.91028 -0.00329 0.00000 -0.00560 -0.00573 1.90455 A69 1.91049 -0.00368 0.00000 -0.00772 -0.00782 1.90268 A70 1.90717 0.01411 0.00000 0.04168 0.04157 1.94875 A71 1.91157 -0.00008 0.00000 -0.01443 -0.01458 1.89699 A72 1.91134 -0.00354 0.00000 -0.00676 -0.00691 1.90443 A73 1.91295 -0.00349 0.00000 -0.00707 -0.00717 1.90578 A74 1.91154 0.00394 0.00000 0.01293 0.01280 1.92434 A75 1.90994 0.00420 0.00000 0.01377 0.01362 1.92356 A76 1.90992 0.00773 0.00000 0.02637 0.02616 1.93608 A77 1.91091 -0.00455 0.00000 -0.01627 -0.01633 1.89458 A78 1.91054 -0.00559 0.00000 -0.01811 -0.01831 1.89223 A79 1.91094 -0.00574 0.00000 -0.01867 -0.01888 1.89206 D1 -3.12963 0.00191 0.00000 0.00450 0.00436 -3.12527 D2 1.06210 0.00214 0.00000 0.00594 0.00578 1.06788 D3 -1.03398 0.00225 0.00000 0.00664 0.00649 -1.02749 D4 -1.04784 -0.00254 0.00000 -0.00841 -0.00830 -1.05614 D5 -3.13930 -0.00231 0.00000 -0.00698 -0.00688 3.13701 D6 1.04781 -0.00220 0.00000 -0.00627 -0.00617 1.04164 D7 1.02909 0.00005 0.00000 0.00022 0.00027 1.02937 D8 -1.06237 0.00028 0.00000 0.00165 0.00170 -1.06067 D9 3.12474 0.00039 0.00000 0.00236 0.00240 3.12715 D10 -1.07226 0.00278 0.00000 0.00512 0.00498 -1.06728 D11 3.11742 -0.00652 0.00000 -0.02533 -0.02505 3.09238 D12 1.02642 0.00309 0.00000 0.01405 0.01391 1.04033 D13 1.67776 -0.00137 0.00000 -0.00474 -0.00460 1.67316 D14 -1.49142 -0.00091 0.00000 -0.00084 -0.00065 -1.49206 D15 -2.51648 0.00402 0.00000 0.01558 0.01518 -2.50131 D16 0.59753 0.00448 0.00000 0.01948 0.01913 0.61665 D17 -0.39922 -0.00368 0.00000 -0.01983 -0.01964 -0.41886 D18 2.71479 -0.00323 0.00000 -0.01593 -0.01569 2.69910 D19 3.14038 -0.00012 0.00000 -0.00072 -0.00052 3.13986 D20 -0.00308 0.00011 0.00000 0.00091 0.00098 -0.00209 D21 -0.00825 0.00055 0.00000 0.00493 0.00495 -0.00329 D22 3.13148 0.00078 0.00000 0.00656 0.00646 3.13793 D23 3.13232 0.00044 0.00000 0.00469 0.00484 3.13716 D24 -0.00318 0.00025 0.00000 0.00275 0.00285 -0.00032 D25 -0.00201 -0.00014 0.00000 -0.00089 -0.00075 -0.00276 D26 -3.13751 -0.00033 0.00000 -0.00283 -0.00273 -3.14024 D27 3.13799 0.00156 0.00000 0.01273 0.01243 -3.13277 D28 0.01482 -0.00082 0.00000 -0.00710 -0.00710 0.00772 D29 -0.00175 0.00132 0.00000 0.01110 0.01094 0.00919 D30 -3.12492 -0.00106 0.00000 -0.00872 -0.00859 -3.13351 D31 3.10254 0.00106 0.00000 0.00918 0.00911 3.11164 D32 -0.01120 0.00066 0.00000 0.00522 0.00510 -0.00610 D33 -0.02076 -0.00114 0.00000 -0.01011 -0.01031 -0.03107 D34 -3.13450 -0.00153 0.00000 -0.01407 -0.01432 3.13437 D35 -3.11224 -0.00047 0.00000 -0.00467 -0.00485 -3.11709 D36 0.02710 -0.00072 0.00000 -0.00655 -0.00657 0.02053 D37 0.00086 0.00004 0.00000 -0.00037 -0.00055 0.00032 D38 3.14020 -0.00021 0.00000 -0.00226 -0.00226 3.13794 D39 0.00553 -0.00017 0.00000 -0.00144 -0.00137 0.00416 D40 3.14121 0.00001 0.00000 0.00043 0.00054 -3.14143 D41 -3.13377 0.00011 0.00000 0.00059 0.00056 -3.13321 D42 0.00191 0.00030 0.00000 0.00246 0.00248 0.00439 D43 3.12579 -0.00020 0.00000 -0.00217 -0.00212 3.12366 D44 -0.01803 -0.00030 0.00000 -0.00297 -0.00294 -0.02096 D45 -0.00957 -0.00035 0.00000 -0.00403 -0.00406 -0.01363 D46 3.12980 -0.00045 0.00000 -0.00483 -0.00488 3.12493 D47 -3.14101 -0.00001 0.00000 -0.00023 -0.00021 -3.14123 D48 -0.00011 0.00002 0.00000 0.00011 0.00013 0.00002 D49 0.00273 0.00005 0.00000 0.00047 0.00048 0.00320 D50 -3.13955 0.00008 0.00000 0.00081 0.00082 -3.13873 D51 -3.13972 0.00008 0.00000 0.00056 0.00058 -3.13914 D52 0.00005 0.00005 0.00000 0.00048 0.00048 0.00052 D53 -0.00032 -0.00001 0.00000 -0.00021 -0.00021 -0.00053 D54 3.13944 -0.00004 0.00000 -0.00030 -0.00031 3.13913 D55 -0.00019 0.00007 0.00000 0.00052 0.00054 0.00035 D56 -3.13938 0.00021 0.00000 0.00192 0.00193 -3.13745 D57 -3.14110 0.00004 0.00000 0.00018 0.00020 -3.14091 D58 0.00290 0.00018 0.00000 0.00157 0.00159 0.00448 D59 -0.00499 -0.00015 0.00000 -0.00170 -0.00168 -0.00668 D60 -3.13271 -0.00018 0.00000 -0.00112 -0.00113 -3.13384 D61 3.13419 -0.00029 0.00000 -0.00308 -0.00305 3.13114 D62 0.00648 -0.00032 0.00000 -0.00250 -0.00250 0.00398 D63 0.00740 0.00020 0.00000 0.00199 0.00198 0.00939 D64 -3.13431 0.00007 0.00000 0.00072 0.00070 -3.13361 D65 3.13516 0.00011 0.00000 0.00112 0.00112 3.13628 D66 -0.00656 -0.00002 0.00000 -0.00015 -0.00016 -0.00671 D67 -1.06963 -0.00336 0.00000 -0.02165 -0.02165 -1.09128 D68 0.95801 0.00481 0.00000 0.02246 0.02236 0.98036 D69 3.07976 -0.00344 0.00000 -0.02088 -0.02078 3.05897 D70 2.08586 -0.00318 0.00000 -0.02056 -0.02056 2.06531 D71 -2.16968 0.00499 0.00000 0.02355 0.02345 -2.14623 D72 -0.04793 -0.00327 0.00000 -0.01979 -0.01969 -0.06762 D73 -0.00486 -0.00013 0.00000 -0.00111 -0.00112 -0.00598 D74 3.13854 -0.00011 0.00000 -0.00104 -0.00104 3.13750 D75 3.13686 -0.00000 0.00000 0.00016 0.00014 3.13700 D76 -0.00293 0.00002 0.00000 0.00023 0.00022 -0.00271 D77 -1.08602 0.00029 0.00000 0.00145 0.00171 -1.08431 D78 1.02681 0.00288 0.00000 0.01770 0.01797 1.04479 D79 3.10995 -0.00166 0.00000 -0.00924 -0.00892 3.10104 D80 -3.14103 -0.00351 0.00000 -0.02537 -0.02568 3.11647 D81 -1.02821 -0.00092 0.00000 -0.00912 -0.00942 -1.03762 D82 1.05493 -0.00546 0.00000 -0.03606 -0.03630 1.01863 D83 1.04960 0.00125 0.00000 0.00340 0.00337 1.05297 D84 -3.12076 0.00384 0.00000 0.01965 0.01964 -3.10112 D85 -1.03762 -0.00070 0.00000 -0.00729 -0.00725 -1.04487 D86 -3.13022 0.00060 0.00000 0.00494 0.00498 -3.12525 D87 1.06092 -0.00189 0.00000 -0.01019 -0.01016 1.05076 D88 -1.04049 0.00265 0.00000 0.01637 0.01634 -1.02415 D89 1.03958 -0.00189 0.00000 -0.01056 -0.01056 1.02902 D90 -1.05246 -0.00438 0.00000 -0.02570 -0.02570 -1.07816 D91 3.12931 0.00016 0.00000 0.00086 0.00081 3.13012 D92 -1.04022 0.00210 0.00000 0.01344 0.01347 -1.02676 D93 -3.13226 -0.00040 0.00000 -0.00169 -0.00168 -3.13394 D94 1.04951 0.00414 0.00000 0.02486 0.02483 1.07434 D95 1.04628 -0.00245 0.00000 -0.01482 -0.01483 1.03145 D96 -1.04896 0.00191 0.00000 0.01101 0.01099 -1.03797 D97 3.13920 -0.00018 0.00000 -0.00110 -0.00109 3.13811 D98 -3.13764 0.00001 0.00000 -0.00007 -0.00007 -3.13771 D99 1.05031 0.00438 0.00000 0.02576 0.02575 1.07605 D100 -1.04472 0.00228 0.00000 0.01365 0.01367 -1.03105 D101 -1.04489 -0.00420 0.00000 -0.02472 -0.02472 -1.06961 D102 -3.14013 0.00017 0.00000 0.00110 0.00110 -3.13903 D103 1.04803 -0.00193 0.00000 -0.01100 -0.01098 1.03705 D104 1.04814 -0.00044 0.00000 -0.00279 -0.00282 1.04532 D105 -1.04672 0.00013 0.00000 0.00078 0.00081 -1.04591 D106 -3.14064 -0.00014 0.00000 -0.00089 -0.00089 -3.14153 D107 3.14041 0.00199 0.00000 0.01168 0.01164 -3.13114 D108 1.04555 0.00257 0.00000 0.01525 0.01528 1.06083 D109 -1.04837 0.00230 0.00000 0.01358 0.01357 -1.03480 D110 -1.04537 -0.00245 0.00000 -0.01457 -0.01460 -1.05997 D111 -3.14023 -0.00187 0.00000 -0.01101 -0.01096 3.13199 D112 1.04903 -0.00214 0.00000 -0.01267 -0.01266 1.03637 Item Value Threshold Converged? Maximum Force 0.058119 0.000450 NO RMS Force 0.010845 0.000300 NO Maximum Displacement 0.385782 0.001800 NO RMS Displacement 0.093055 0.001200 NO Predicted change in Energy=-3.324649D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.766071 -5.207644 1.854092 2 6 0 7.220439 -4.854841 3.279484 3 8 0 6.275593 -6.524925 1.806132 4 8 0 2.823929 -1.985811 0.045200 5 6 0 3.650040 -2.751063 0.495479 6 7 0 4.960156 -2.515316 0.232396 7 6 0 6.009847 -3.268427 0.659014 8 8 0 7.153847 -2.968021 0.376433 9 7 0 5.704738 -4.360153 1.410471 10 6 0 4.386015 -4.670367 1.722465 11 6 0 3.336716 -3.941039 1.320185 12 1 0 7.603743 -5.082909 1.178814 13 1 0 7.582361 -3.828398 3.307807 14 1 0 8.025985 -5.517884 3.594586 15 1 0 5.181822 -1.722598 -0.321913 16 1 0 4.260196 -5.543800 2.309984 17 6 0 1.928152 -4.340439 1.699045 18 1 0 6.386025 -4.960306 3.972541 19 1 0 6.983992 -7.123062 2.057630 20 6 0 1.726208 -5.536964 2.491984 21 6 0 0.493867 -5.936558 2.855465 22 6 0 -0.668154 -5.188500 2.468336 23 6 0 -0.487460 -4.070437 1.737087 24 6 0 0.824917 -3.638382 1.341887 25 1 0 2.563981 -6.122422 2.800256 26 1 0 0.373390 -6.823021 3.445058 27 6 0 -2.047985 -5.650712 2.897077 28 1 0 -1.332810 -3.483733 1.437029 29 1 0 0.912462 -2.751792 0.762525 30 6 0 -2.435729 -7.042713 2.331433 31 6 0 -2.502437 -7.084697 0.793211 32 1 0 -2.057239 -5.732220 3.985915 33 1 0 -2.790824 -4.919420 2.584675 34 1 0 -1.714939 -7.782370 2.678163 35 1 0 -3.418234 -7.309430 2.722720 36 6 0 -2.912100 -8.475581 0.281930 37 1 0 -1.529330 -6.829082 0.378782 38 1 0 -3.233363 -6.351311 0.449942 39 1 0 -3.889227 -8.733602 0.692277 40 1 0 -2.183323 -9.209756 0.626849 41 6 0 -2.983770 -8.517255 -1.252955 42 1 0 -2.013147 -8.272344 -1.682642 43 1 0 -3.715347 -7.795694 -1.615385 44 1 0 -3.275074 -9.508002 -1.602464 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.537095 0.000000 3 O 1.406449 2.419231 0.000000 4 O 5.403035 6.166136 5.968117 0.000000 5 C 4.194076 4.992426 4.780520 1.212774 0.000000 6 N 3.624894 4.457242 4.503774 2.208819 1.356906 7 C 2.400135 3.293798 3.462843 3.488831 2.421383 8 O 2.711044 3.462980 3.932803 4.452262 3.512535 9 N 1.428800 2.456679 2.273469 3.974988 2.765532 10 C 2.443493 3.239182 2.648942 3.529897 2.393926 11 C 3.694566 4.444906 3.943299 2.389865 1.481335 12 H 1.083168 2.147498 2.058378 5.807213 4.640713 13 H 2.163778 1.088750 3.351706 6.056600 4.953078 14 H 2.170934 1.089872 2.697512 7.220462 6.033959 15 H 4.403452 5.190083 5.365376 2.400773 2.017975 16 H 2.569095 3.190240 2.297455 4.455491 3.385868 17 C 4.917473 5.547134 4.866589 3.013618 2.634309 18 H 2.166434 1.089816 2.674613 6.079487 4.945334 19 H 1.938490 2.587210 0.960650 6.909945 5.715761 20 C 5.090735 5.592140 4.705674 4.449993 3.930446 21 C 6.393325 6.826176 5.905559 5.379143 5.067380 22 C 7.459582 7.937203 7.102124 5.321978 5.336672 23 C 7.343067 7.899746 7.195009 4.263032 4.516773 24 C 6.166218 6.792405 6.185266 2.899731 3.079783 25 H 4.403363 4.849641 3.863464 4.976893 4.225823 26 H 6.782845 7.126236 6.132776 6.400217 6.001441 27 C 8.886603 9.310389 8.440164 6.730547 6.829578 28 H 8.290819 8.856221 8.202004 4.632433 5.123682 29 H 6.441077 7.109746 6.639942 2.180594 2.750573 30 C 9.395130 9.946214 8.742493 7.646119 7.669783 31 C 9.515989 10.280474 8.853992 7.411365 7.531401 32 H 9.092340 9.345810 8.649620 7.306889 7.324171 33 H 9.589112 10.035553 9.240330 6.824987 7.109940 34 H 8.901451 9.421942 8.135736 7.818817 7.672102 35 H 10.435137 10.932354 9.768616 8.629869 8.700564 36 C 10.335285 11.169756 9.515354 8.664594 8.710763 37 H 8.580168 9.427097 7.940193 6.520692 6.593158 38 H 10.162101 10.932873 9.606750 7.477446 7.768211 39 H 11.283509 12.048366 10.461477 9.540328 9.626529 40 H 9.880015 10.697313 8.952781 8.808875 8.704028 41 C 10.754844 11.750837 9.953049 8.835968 8.961776 42 H 9.948646 11.025477 9.161235 8.118081 8.203684 43 H 11.339991 12.336927 10.636753 8.903618 9.173492 44 H 11.457114 12.475621 10.570360 9.823237 9.900242 6 7 8 9 10 6 N 0.000000 7 C 1.360526 0.000000 8 O 2.244542 1.216072 0.000000 9 N 2.312074 1.360016 2.259908 0.000000 10 C 2.682198 2.394409 3.517198 1.390181 0.000000 11 C 2.418993 2.834639 4.050669 2.406519 1.339693 12 H 3.804838 2.470434 2.306290 2.045058 3.289304 13 H 4.249506 3.130890 3.084935 2.721785 3.665903 14 H 5.451518 4.212180 4.197492 3.391001 4.180013 15 H 0.992369 2.009336 2.434676 3.198639 3.674525 16 H 3.738721 3.311239 4.329720 2.072884 1.060139 17 C 3.830820 4.346390 5.562438 3.787646 2.480018 18 H 4.690391 3.739442 4.182194 2.718186 3.024392 19 H 5.353383 4.214653 4.485492 3.112711 3.588528 20 C 4.969357 5.182239 6.366654 4.287570 2.901331 21 C 6.207505 6.509174 7.701502 5.632605 4.246851 22 C 6.619910 7.180252 8.395849 6.512986 5.135115 23 C 5.861656 6.634791 7.839405 6.207570 4.910283 24 C 4.426336 5.242774 6.437145 4.933387 3.727097 25 H 5.034558 4.960262 6.073881 3.860239 2.567081 26 H 7.065121 7.222661 8.381651 6.215186 4.868512 27 C 8.126825 8.695566 9.910812 7.998766 6.613407 28 H 6.479999 7.386898 8.568206 7.091960 5.847609 29 H 4.089106 5.124545 6.257053 5.096329 4.082645 30 C 8.922017 9.400531 10.601184 8.620412 7.248108 31 C 8.768355 9.329572 10.505453 8.669595 7.358212 32 H 8.583776 9.067327 10.271965 8.292392 6.911314 33 H 8.449297 9.158917 10.372115 8.594540 7.232735 34 H 8.847627 9.171966 10.350424 8.268628 6.915168 35 H 9.969085 10.463140 11.667124 9.677234 8.298884 36 C 9.874190 10.337204 11.474556 9.615626 8.355674 37 H 7.793807 8.342421 9.502913 7.713089 6.438699 38 H 9.049637 9.746016 10.924568 9.207442 7.905682 39 H 10.825440 11.307560 12.461588 10.568209 9.276357 40 H 9.797980 10.120695 11.234087 9.292698 8.059940 41 C 10.066553 10.587302 11.671340 9.993273 8.829802 42 H 9.243251 9.741200 10.789319 9.189034 8.094336 43 H 10.322840 10.965784 12.058737 10.473621 9.302740 44 H 10.958255 11.412990 12.467950 10.780313 9.651432 11 12 13 14 15 11 C 0.000000 12 H 4.419431 0.000000 13 H 4.689225 2.471207 0.000000 14 H 5.445052 2.490672 1.770144 0.000000 15 H 3.319997 4.405630 4.834444 6.150807 0.000000 16 H 2.097942 3.559673 3.869759 3.978950 4.730525 17 C 1.512319 5.747541 5.900879 6.493306 4.639367 18 H 4.167995 3.050045 1.776037 1.772911 5.511369 19 H 4.896092 2.306216 3.574325 2.454502 6.170498 20 C 2.552220 6.039536 6.154616 6.395568 5.865890 21 C 3.797495 7.354604 7.409163 7.579867 7.059044 22 C 4.348954 8.372472 8.403903 8.772969 7.349842 23 C 3.849009 8.173391 8.224825 8.833128 6.472447 24 C 2.530061 6.932945 7.040170 7.775768 5.041932 25 H 2.747028 5.395263 5.541145 5.552469 5.996622 26 H 4.647818 7.774436 7.807424 7.764532 7.957725 27 C 5.865542 9.819913 9.809847 10.098963 8.835275 28 H 4.693320 9.082181 9.115858 9.817325 6.973944 29 H 2.757228 7.097933 7.219771 8.140888 4.523569 30 C 6.630546 10.293705 10.566327 10.647447 9.662864 31 C 6.652518 10.309739 10.891732 11.006829 9.436283 32 H 6.277675 10.081468 9.849175 10.093091 9.329440 33 H 6.332687 10.490482 10.455440 10.880324 9.068131 34 H 6.489926 9.816973 10.122753 10.042576 9.658498 35 H 7.677403 11.350111 11.553052 11.616365 10.697824 36 C 7.790234 11.085918 11.869539 11.805227 10.558360 37 H 5.736326 9.332856 10.030265 10.166843 8.462075 38 H 7.052140 10.935400 11.467884 11.719911 9.635148 39 H 8.693514 12.068664 12.747524 12.678191 11.509417 40 H 7.662306 10.635892 11.468005 11.254660 10.545285 41 C 8.216529 11.393141 12.426949 12.397967 10.663540 42 H 7.509874 10.528295 11.693033 11.671348 9.824374 43 H 8.556139 11.970319 12.946638 13.045731 10.849662 44 H 9.124074 12.069201 13.200475 13.063089 11.565959 16 17 18 19 20 16 H 0.000000 17 C 2.694393 0.000000 18 H 2.761106 5.042385 0.000000 19 H 3.158609 5.782135 2.949908 0.000000 20 C 2.540525 1.449553 4.923259 5.508961 0.000000 21 C 3.825838 2.437637 6.076055 6.645754 1.345532 22 C 4.943677 2.837573 7.216380 7.903577 2.419701 23 C 5.003923 2.430952 7.282439 8.077367 2.760597 24 C 4.045859 1.355571 6.292356 7.112628 2.395759 25 H 1.858040 2.189157 4.163266 4.592305 1.067547 26 H 4.246417 3.410140 6.316623 6.761290 2.095807 27 C 6.336344 4.354511 8.530288 9.189619 3.797575 28 H 6.023922 3.381785 8.257693 9.099398 3.832267 29 H 4.625718 2.105350 6.718753 7.592679 3.377928 30 C 6.861677 5.171621 9.211569 9.424042 4.428857 31 C 7.099871 5.289764 9.676050 9.570400 4.812769 32 H 6.538672 4.801060 8.478487 9.348613 4.072398 33 H 7.083939 4.836145 9.281294 10.033984 4.559993 34 H 6.391321 5.106630 8.675544 8.745921 4.113149 35 H 7.889619 6.200537 10.158934 10.425132 5.446114 36 C 8.009380 6.521936 10.603438 10.144706 5.918928 37 H 6.236995 4.459890 8.891585 8.682258 4.090687 38 H 7.763070 5.678477 10.338096 10.371818 5.424983 39 H 8.899714 7.359033 11.427104 11.076322 6.707500 40 H 7.602047 6.462513 10.133371 9.510052 5.679134 41 C 8.602965 7.091338 11.302688 10.595283 6.714953 42 H 7.920912 6.513795 10.653487 9.811167 6.236391 43 H 9.169996 7.400899 11.887054 11.332224 7.182120 44 H 9.370295 8.042215 12.045706 11.150455 7.585938 21 22 23 24 25 21 C 0.000000 22 C 1.435184 0.000000 23 C 2.386667 1.348125 0.000000 24 C 2.771664 2.429200 1.437076 0.000000 25 H 2.079174 3.380692 3.827828 3.364764 0.000000 26 H 1.071425 2.170358 3.351857 3.843062 2.388577 27 C 2.558213 1.517035 2.505611 3.836881 4.637038 28 H 3.371210 2.100379 1.071855 2.165353 4.899597 29 H 3.833843 3.368336 2.156009 1.062717 4.270950 30 C 3.175016 2.565380 3.603253 4.816688 5.105275 31 C 3.814310 3.125092 3.746572 4.821765 5.533787 32 H 2.797823 2.127965 3.206705 4.436425 4.786828 33 H 3.449217 2.142818 2.597050 4.032265 5.492507 34 H 2.883970 2.804986 4.021290 5.040747 4.591240 35 H 4.148125 3.482240 4.477945 5.778202 6.099336 36 C 4.966924 4.540987 5.234659 6.203813 6.470455 37 H 3.320224 2.792736 3.246631 4.080517 4.808129 38 H 4.455425 3.465017 3.794617 4.962377 6.259838 39 H 5.631550 5.108566 5.865898 6.971830 7.273633 40 H 4.779948 4.675180 5.524598 6.371891 6.065660 41 C 5.969345 5.503698 5.911524 6.711386 7.276076 42 H 5.686425 5.343194 5.628347 6.219001 6.757858 43 H 6.415790 5.723602 5.961196 6.829545 7.856696 44 H 6.843483 6.482711 6.963513 7.741547 8.058576 26 27 28 29 30 26 H 0.000000 27 C 2.745477 0.000000 28 H 4.253720 2.709061 0.000000 29 H 4.905251 4.660933 2.456000 0.000000 30 C 3.029781 1.551762 3.831805 5.664262 0.000000 31 C 3.920605 2.586328 3.840504 5.516932 1.540240 32 H 2.718516 1.091924 3.475242 5.300219 2.144285 33 H 3.791597 1.088207 2.346080 4.661884 2.167626 34 H 2.422724 2.168595 4.490513 5.989959 1.089427 35 H 3.890344 2.158547 4.542901 6.585541 1.090669 36 C 4.850853 3.945322 5.361618 6.900725 2.545682 37 H 3.608660 2.828316 3.514238 4.768008 2.163341 38 H 4.711888 2.807922 3.579028 5.499283 2.157374 39 H 5.421995 4.213730 5.886514 7.670932 2.767416 40 H 4.491724 4.223629 5.845263 7.162932 2.768644 41 C 6.017664 5.129866 5.941214 7.244539 3.914391 42 H 5.838613 5.277119 5.755519 6.709286 4.219403 43 H 6.578141 5.267195 5.795405 7.246517 4.216843 44 H 6.782174 6.052297 7.021590 8.293070 4.717806 31 32 33 34 35 31 C 0.000000 32 H 3.495820 0.000000 33 H 2.825055 1.778276 0.000000 34 H 2.158690 2.455707 3.059861 0.000000 35 H 2.147602 2.436301 2.474844 1.768296 0.000000 36 C 1.537462 4.687891 4.238352 2.766888 2.752005 37 H 1.088130 3.806994 3.178702 2.496069 3.048399 38 H 1.090844 3.777518 2.608302 3.052623 2.473396 39 H 2.156910 4.817938 4.397232 3.094530 2.524440 40 H 2.155316 4.836577 4.754906 2.542578 3.086894 41 C 2.543757 6.005051 5.263939 4.195673 4.177749 42 H 2.789221 6.211820 5.482415 4.398366 4.723207 43 H 2.788906 6.195305 5.173799 4.736703 4.375372 44 H 3.494085 6.853439 6.230708 4.871919 4.854011 36 37 38 39 40 36 C 0.000000 37 H 2.152299 0.000000 38 H 2.154985 1.771174 0.000000 39 H 1.090750 3.048703 2.482780 0.000000 40 H 1.090458 2.481300 3.050342 1.772318 0.000000 41 C 1.537123 2.761863 2.766491 2.156522 2.157298 42 H 2.170015 2.562528 3.118848 3.061482 2.498289 43 H 2.169621 3.112829 2.565955 2.497040 3.061744 44 H 2.179125 3.761591 3.765476 2.498543 2.500141 41 42 43 44 41 C 0.000000 42 H 1.089367 0.000000 43 H 1.089592 1.768955 0.000000 44 H 1.090227 1.767976 1.768052 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.247829 -1.714753 0.250655 2 6 0 -4.844112 -2.001426 -1.136762 3 8 0 -3.338896 -2.724814 0.613586 4 8 0 -1.569247 2.972861 0.461039 5 6 0 -2.102538 1.886951 0.376056 6 7 0 -3.405087 1.776702 0.739928 7 6 0 -4.151892 0.639993 0.705205 8 8 0 -5.319465 0.645352 1.045172 9 7 0 -3.521446 -0.484559 0.272119 10 6 0 -2.187287 -0.454041 -0.117358 11 6 0 -1.433644 0.653410 -0.098614 12 1 0 -5.054221 -1.644414 0.970404 13 1 0 -5.532994 -1.205163 -1.413857 14 1 0 -5.387975 -2.945848 -1.126815 15 1 0 -3.862676 2.596022 1.062608 16 1 0 -1.793642 -1.385977 -0.434271 17 6 0 0.012866 0.610412 -0.537783 18 1 0 -4.047926 -2.061301 -1.878518 19 1 0 -3.811181 -3.560515 0.650961 20 6 0 0.580355 -0.653232 -0.964826 21 6 0 1.861767 -0.746055 -1.364607 22 6 0 2.714531 0.408180 -1.381543 23 6 0 2.191446 1.588307 -0.992796 24 6 0 0.824890 1.695602 -0.561289 25 1 0 -0.019846 -1.536075 -0.966655 26 1 0 2.254730 -1.691966 -1.678906 27 6 0 4.153559 0.283982 -1.845402 28 1 0 2.798065 2.471954 -1.000165 29 1 0 0.462494 2.648526 -0.261336 30 6 0 5.009203 -0.657214 -0.956590 31 6 0 5.139649 -0.176339 0.500833 32 1 0 4.151988 -0.138335 -2.852350 33 1 0 4.615255 1.269106 -1.869111 34 1 0 4.569877 -1.654087 -0.965987 35 1 0 6.009737 -0.717693 -1.386513 36 6 0 6.013634 -1.127332 1.334831 37 1 0 4.152517 -0.115384 0.954575 38 1 0 5.590508 0.816951 0.507372 39 1 0 7.005503 -1.187871 0.885090 40 1 0 5.565005 -2.121195 1.326661 41 6 0 6.148524 -0.645722 2.788310 42 1 0 5.167883 -0.588628 3.259271 43 1 0 6.604666 0.343398 2.816346 44 1 0 6.770090 -1.328037 3.368565 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5053130 0.1095327 0.1035637 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1739.0532445218 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.70D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999986 0.001002 -0.003471 -0.003979 Ang= 0.62 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.100257177 A.U. after 14 cycles NFock= 14 Conv=0.60D-08 -V/T= 2.0014 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.022617247 -0.015275865 0.017995977 2 6 -0.003626850 0.001809139 -0.004814438 3 8 0.012950543 -0.004376379 0.001505575 4 8 0.015630048 -0.012641283 0.007503250 5 6 -0.049169729 0.016126847 -0.007811227 6 7 0.011177453 -0.015894483 0.010231500 7 6 0.042348093 0.012071394 -0.013023814 8 8 -0.023312940 -0.005870916 0.006615920 9 7 -0.027358234 0.003224703 -0.004263971 10 6 0.002395686 0.013317587 -0.006461256 11 6 -0.000642197 -0.004889373 0.003527583 12 1 -0.005981155 0.000448175 -0.000457430 13 1 -0.000555125 -0.003963254 0.000657801 14 1 -0.002116282 0.002204079 -0.000577028 15 1 0.000892710 0.004572954 -0.002868453 16 1 0.005709992 -0.003132726 0.000904250 17 6 0.019074043 -0.021242967 0.012069304 18 1 0.003560044 0.000232681 -0.001374655 19 1 -0.011355945 0.008186186 -0.004091801 20 6 0.012198353 0.024058863 -0.016870813 21 6 -0.025304738 0.008964192 -0.003388595 22 6 0.003978951 -0.020801873 0.014913403 23 6 0.027220837 0.015759473 -0.013228010 24 6 -0.031905776 -0.000518649 0.003645612 25 1 0.000846935 -0.003251174 0.001842355 26 1 -0.000049868 -0.002691371 0.002123328 27 6 0.004079466 -0.012681195 -0.000881678 28 1 -0.001332371 0.002556482 -0.001633906 29 1 0.000575729 0.003916420 -0.002650728 30 6 0.000261707 0.010078115 -0.006936172 31 6 -0.001531911 -0.008469986 0.008204973 32 1 -0.003823477 0.004555119 -0.002814556 33 1 0.001486726 -0.000923377 0.003980111 34 1 -0.003921794 -0.000024562 0.000649708 35 1 0.004009958 -0.001443725 0.001958816 36 6 0.001019037 0.007008159 -0.006949156 37 1 -0.003301098 0.002446448 -0.000657093 38 1 0.003867854 0.000366855 -0.001026504 39 1 0.003754105 -0.002364882 0.000607328 40 1 -0.004168583 -0.000076299 0.000884631 41 6 -0.000312637 -0.002031200 0.005400109 42 1 -0.003196003 -0.000609195 -0.000878063 43 1 0.002366811 -0.002255062 -0.001136093 44 1 0.000944386 0.003525927 -0.000426092 ------------------------------------------------------------------- Cartesian Forces: Max 0.049169729 RMS 0.010854628 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.024918910 RMS 0.004946555 Search for a local minimum. Step number 2 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -3.27D-02 DEPred=-3.32D-02 R= 9.85D-01 TightC=F SS= 1.41D+00 RLast= 3.22D-01 DXNew= 5.0454D-01 9.6736D-01 Trust test= 9.85D-01 RLast= 3.22D-01 DXMaxT set to 5.05D-01 ITU= 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00230 0.00230 0.00289 0.00300 Eigenvalues --- 0.00545 0.00613 0.01379 0.01413 0.01485 Eigenvalues --- 0.01505 0.01539 0.01631 0.01833 0.01871 Eigenvalues --- 0.01888 0.01954 0.02053 0.02069 0.02110 Eigenvalues --- 0.02167 0.02247 0.02429 0.02464 0.02477 Eigenvalues --- 0.02551 0.02592 0.03415 0.03633 0.03650 Eigenvalues --- 0.04052 0.04785 0.04850 0.04873 0.05253 Eigenvalues --- 0.05479 0.05534 0.05586 0.05597 0.05608 Eigenvalues --- 0.05630 0.08036 0.08060 0.08336 0.08384 Eigenvalues --- 0.09351 0.11993 0.12008 0.12222 0.12867 Eigenvalues --- 0.15638 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16180 0.17866 0.19837 Eigenvalues --- 0.20641 0.21971 0.21995 0.22001 0.22060 Eigenvalues --- 0.22276 0.22958 0.23742 0.23995 0.24832 Eigenvalues --- 0.24993 0.24997 0.24998 0.25000 0.25000 Eigenvalues --- 0.27221 0.28068 0.28240 0.28683 0.28909 Eigenvalues --- 0.29487 0.30383 0.31237 0.32840 0.33449 Eigenvalues --- 0.33535 0.33558 0.33654 0.33678 0.33695 Eigenvalues --- 0.33713 0.33720 0.33731 0.33744 0.33748 Eigenvalues --- 0.33758 0.33781 0.33788 0.33855 0.34297 Eigenvalues --- 0.35315 0.36312 0.37842 0.38231 0.38772 Eigenvalues --- 0.39037 0.39430 0.43344 0.44441 0.48157 Eigenvalues --- 0.49597 0.50686 0.51805 0.52374 0.54928 Eigenvalues --- 0.56142 0.56287 0.57154 0.59104 0.85626 Eigenvalues --- 0.90402 RFO step: Lambda=-1.29701952D-02 EMin= 2.29998993D-03 Quartic linear search produced a step of 0.63766. Iteration 1 RMS(Cart)= 0.14704523 RMS(Int)= 0.00306516 Iteration 2 RMS(Cart)= 0.00786254 RMS(Int)= 0.00022915 Iteration 3 RMS(Cart)= 0.00001012 RMS(Int)= 0.00022902 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00022902 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90469 -0.00641 -0.00760 -0.02680 -0.03440 2.87029 R2 2.65780 -0.00404 -0.00927 -0.00494 -0.01421 2.64360 R3 2.70004 0.02062 0.05104 0.01496 0.06600 2.76604 R4 2.04689 -0.00429 -0.02068 0.00254 -0.01814 2.02875 R5 2.05744 -0.00390 -0.01520 -0.00168 -0.01688 2.04056 R6 2.05956 -0.00307 -0.01105 -0.00223 -0.01327 2.04629 R7 2.05945 -0.00362 -0.01385 -0.00184 -0.01568 2.04377 R8 1.81536 -0.01454 -0.04039 -0.00530 -0.04569 1.76968 R9 2.29181 -0.02141 -0.02053 -0.01737 -0.03790 2.25391 R10 2.56418 0.02010 0.03316 0.02179 0.05509 2.61927 R11 2.79932 -0.00530 -0.00500 -0.01812 -0.02299 2.77633 R12 2.57102 0.00322 0.00464 0.00636 0.01101 2.58203 R13 1.87531 0.00545 0.01558 0.00070 0.01628 1.89159 R14 2.29804 -0.02492 -0.02700 -0.01883 -0.04582 2.25222 R15 2.57006 0.00321 -0.00005 0.00909 0.00890 2.57896 R16 2.62706 -0.00518 -0.00256 -0.01721 -0.01991 2.60716 R17 2.53165 0.00145 0.00677 -0.00445 0.00230 2.53395 R18 2.00337 0.00240 0.00756 0.00156 0.00913 2.01250 R19 2.85787 -0.00819 -0.00525 -0.03580 -0.04105 2.81682 R20 2.73926 -0.01928 -0.03598 -0.04830 -0.08420 2.65505 R21 2.56166 0.01498 0.02041 0.02036 0.04065 2.60231 R22 2.54269 0.01519 0.01808 0.02242 0.04067 2.58336 R23 2.01737 0.00298 0.01184 -0.00056 0.01128 2.02866 R24 2.71210 -0.01636 -0.03194 -0.03531 -0.06714 2.64496 R25 2.02470 0.00340 0.01040 0.00289 0.01329 2.03799 R26 2.54759 0.01665 0.02059 0.02371 0.04424 2.59182 R27 2.86678 -0.00052 0.00656 -0.00981 -0.00324 2.86354 R28 2.71568 -0.02132 -0.03560 -0.05440 -0.09016 2.62552 R29 2.02551 0.00291 0.00778 0.00375 0.01154 2.03705 R30 2.00824 0.00476 0.00590 0.01300 0.01889 2.02714 R31 2.93241 -0.00535 -0.00266 -0.02742 -0.03008 2.90232 R32 2.06344 -0.00311 -0.00902 -0.00464 -0.01366 2.04978 R33 2.05641 -0.00278 -0.01444 0.00279 -0.01166 2.04476 R34 2.91063 -0.00393 -0.00338 -0.01783 -0.02121 2.88943 R35 2.05872 -0.00237 -0.01244 0.00252 -0.00993 2.04879 R36 2.06107 -0.00256 -0.01066 -0.00028 -0.01093 2.05013 R37 2.90538 -0.00217 0.00267 -0.01463 -0.01196 2.89342 R38 2.05627 -0.00213 -0.01227 0.00349 -0.00877 2.04749 R39 2.06140 -0.00202 -0.00987 0.00136 -0.00851 2.05289 R40 2.06122 -0.00258 -0.01108 0.00008 -0.01100 2.05022 R41 2.06067 -0.00245 -0.01075 0.00030 -0.01045 2.05022 R42 2.90474 -0.00291 0.00131 -0.01712 -0.01582 2.88892 R43 2.05861 -0.00264 -0.01194 0.00074 -0.01119 2.04741 R44 2.05903 -0.00270 -0.01217 0.00067 -0.01150 2.04753 R45 2.06023 -0.00332 -0.01136 -0.00307 -0.01442 2.04581 A1 1.92803 0.00238 0.01181 0.01797 0.02973 1.95776 A2 1.95127 0.00034 0.02196 -0.02086 0.00120 1.95246 A3 1.89979 0.00162 0.00045 0.02462 0.02485 1.92463 A4 1.86075 -0.00121 -0.02363 0.02028 -0.00389 1.85686 A5 1.93509 -0.00098 -0.00411 -0.00257 -0.00795 1.92714 A6 1.88871 -0.00234 -0.00657 -0.04132 -0.04818 1.84053 A7 1.91641 0.00102 0.00477 0.00423 0.00890 1.92531 A8 1.92512 -0.00001 0.00979 -0.01494 -0.00515 1.91997 A9 1.91897 0.00149 0.00243 0.01307 0.01541 1.93439 A10 1.89688 -0.00091 -0.00806 -0.00248 -0.01056 1.88632 A11 1.90626 -0.00077 -0.00254 0.00118 -0.00153 1.90473 A12 1.89987 -0.00088 -0.00657 -0.00117 -0.00774 1.89214 A13 1.89344 0.00200 -0.00494 0.02494 0.02001 1.91345 A14 2.06698 0.00338 -0.00184 0.02116 0.01915 2.08613 A15 2.17671 0.00664 0.03449 -0.00017 0.03415 2.21086 A16 2.03950 -0.01002 -0.03263 -0.02098 -0.05332 1.98618 A17 2.19933 0.01049 0.05310 0.01754 0.07080 2.27013 A18 2.05189 -0.00557 -0.02395 -0.01512 -0.03915 2.01274 A19 2.03196 -0.00491 -0.02914 -0.00243 -0.03165 2.00031 A20 2.11321 0.00558 0.00720 0.02606 0.03324 2.14645 A21 2.03143 -0.01061 -0.03836 -0.02136 -0.05990 1.97153 A22 2.13855 0.00504 0.03125 -0.00470 0.02653 2.16508 A23 2.07265 -0.00350 0.00692 -0.02581 -0.01884 2.05381 A24 2.09739 0.00132 -0.00307 0.01540 0.01237 2.10976 A25 2.11290 0.00219 -0.00380 0.01085 0.00672 2.11962 A26 2.15809 0.00746 0.03729 -0.00233 0.03483 2.19292 A27 2.00513 -0.00983 -0.04747 -0.02008 -0.06750 1.93763 A28 2.11997 0.00237 0.01018 0.02238 0.03261 2.15257 A29 2.02509 0.00050 -0.01556 0.01627 0.00086 2.02595 A30 2.15152 -0.01181 0.00619 -0.07775 -0.07163 2.07989 A31 2.10657 0.01131 0.00937 0.06149 0.07078 2.17735 A32 2.07692 0.00936 -0.00744 0.06684 0.05943 2.13635 A33 2.15944 -0.00751 0.02185 -0.07081 -0.04894 2.11050 A34 2.04682 -0.00185 -0.01441 0.00397 -0.01049 2.03633 A35 2.11824 0.00065 0.00870 -0.00619 0.00275 2.12099 A36 2.09592 0.00210 -0.00007 0.02051 0.02032 2.11624 A37 2.06903 -0.00275 -0.00863 -0.01432 -0.02307 2.04596 A38 2.11051 0.00201 0.00794 0.00460 0.01282 2.12333 A39 2.09134 -0.00132 -0.00052 -0.00961 -0.01027 2.08107 A40 2.08133 -0.00069 -0.00742 0.00501 -0.00256 2.07877 A41 2.06017 -0.00443 -0.01934 -0.00552 -0.02482 2.03535 A42 2.09601 0.00103 -0.00177 0.00847 0.00668 2.10269 A43 2.12692 0.00340 0.02110 -0.00291 0.01816 2.14508 A44 2.11872 0.00230 0.01227 0.00094 0.01298 2.13169 A45 2.09451 0.00045 0.00286 0.00336 0.00634 2.10085 A46 2.06996 -0.00276 -0.01513 -0.00431 -0.01932 2.05064 A47 2.11188 0.00131 0.00483 0.00224 0.00679 2.11867 A48 2.10443 -0.00085 0.00304 -0.00973 -0.00655 2.09788 A49 2.06687 -0.00047 -0.00787 0.00750 -0.00023 2.06664 A50 1.97966 0.00324 0.02763 0.00024 0.02709 2.00675 A51 1.88838 -0.00048 -0.00454 0.01628 0.01000 1.89838 A52 1.91241 -0.00112 -0.00787 -0.00395 -0.01168 1.90072 A53 1.86963 0.00154 0.01197 0.01605 0.02707 1.89671 A54 1.90457 -0.00086 -0.01087 0.00377 -0.00675 1.89782 A55 1.90778 -0.00246 -0.01641 -0.03368 -0.04998 1.85780 A56 1.98156 0.00139 0.02594 -0.01284 0.01287 1.99443 A57 1.90467 0.00029 -0.00400 0.01168 0.00736 1.91203 A58 1.88987 -0.00104 -0.00638 -0.00380 -0.01042 1.87945 A59 1.90498 -0.00010 -0.00319 0.00956 0.00614 1.91112 A60 1.88873 0.00094 -0.00413 0.02079 0.01669 1.90543 A61 1.89209 -0.00163 -0.00924 -0.02663 -0.03597 1.85612 A62 1.94799 0.00291 0.02858 -0.00393 0.02431 1.97230 A63 1.91264 -0.00050 -0.00448 0.00592 0.00107 1.91371 A64 1.90177 -0.00045 -0.00660 0.00833 0.00148 1.90325 A65 1.90091 -0.00019 -0.00449 0.01103 0.00626 1.90717 A66 1.90184 -0.00041 -0.00508 0.00797 0.00272 1.90456 A67 1.89805 -0.00146 -0.00829 -0.03025 -0.03863 1.85942 A68 1.90455 -0.00020 -0.00365 0.00933 0.00540 1.90995 A69 1.90268 -0.00031 -0.00498 0.00861 0.00342 1.90610 A70 1.94875 0.00272 0.02651 -0.00294 0.02324 1.97199 A71 1.89699 -0.00152 -0.00930 -0.02924 -0.03861 1.85838 A72 1.90443 -0.00037 -0.00441 0.00742 0.00268 1.90710 A73 1.90578 -0.00043 -0.00457 0.00589 0.00108 1.90686 A74 1.92434 0.00217 0.00816 0.01046 0.01840 1.94274 A75 1.92356 0.00227 0.00869 0.01077 0.01923 1.94279 A76 1.93608 0.00133 0.01668 -0.00858 0.00789 1.94397 A77 1.89458 -0.00229 -0.01041 -0.00766 -0.01831 1.87627 A78 1.89223 -0.00182 -0.01168 -0.00261 -0.01448 1.87775 A79 1.89206 -0.00188 -0.01204 -0.00282 -0.01506 1.87700 D1 -3.12527 0.00000 0.00278 -0.00607 -0.00330 -3.12857 D2 1.06788 0.00048 0.00369 0.00368 0.00739 1.07527 D3 -1.02749 0.00063 0.00414 0.00625 0.01047 -1.01702 D4 -1.05614 0.00028 -0.00529 0.01778 0.01262 -1.04352 D5 3.13701 0.00076 -0.00439 0.02753 0.02331 -3.12286 D6 1.04164 0.00090 -0.00394 0.03011 0.02640 1.06804 D7 1.02937 -0.00135 0.00017 -0.03037 -0.03045 0.99892 D8 -1.06067 -0.00087 0.00108 -0.02062 -0.01976 -1.08043 D9 3.12715 -0.00073 0.00153 -0.01804 -0.01667 3.11047 D10 -1.06728 -0.00073 0.00317 -0.01583 -0.01264 -1.07992 D11 3.09238 -0.00178 -0.01597 -0.01354 -0.02929 3.06309 D12 1.04033 0.00225 0.00887 0.02541 0.03403 1.07436 D13 1.67316 -0.00077 -0.00293 -0.01563 -0.01834 1.65482 D14 -1.49206 -0.00018 -0.00041 0.00566 0.00545 -1.48661 D15 -2.50131 0.00157 0.00968 0.00722 0.01644 -2.48486 D16 0.61665 0.00217 0.01220 0.02851 0.04024 0.65689 D17 -0.41886 -0.00147 -0.01252 -0.00652 -0.01879 -0.43765 D18 2.69910 -0.00088 -0.01001 0.01477 0.00500 2.70410 D19 3.13986 -0.00006 -0.00033 -0.00258 -0.00263 3.13724 D20 -0.00209 0.00008 0.00063 0.00134 0.00210 0.00000 D21 -0.00329 0.00019 0.00316 0.00164 0.00483 0.00153 D22 3.13793 0.00034 0.00412 0.00557 0.00955 -3.13570 D23 3.13716 0.00023 0.00308 0.00409 0.00732 -3.13870 D24 -0.00032 0.00012 0.00182 0.00253 0.00459 0.00426 D25 -0.00276 -0.00003 -0.00048 -0.00045 -0.00074 -0.00350 D26 -3.14024 -0.00014 -0.00174 -0.00201 -0.00348 3.13947 D27 -3.13277 0.00052 0.00793 0.00405 0.01175 -3.12102 D28 0.00772 -0.00022 -0.00453 0.00123 -0.00334 0.00438 D29 0.00919 0.00038 0.00697 0.00017 0.00705 0.01624 D30 -3.13351 -0.00037 -0.00548 -0.00265 -0.00804 -3.14155 D31 3.11164 0.00067 0.00581 0.01611 0.02175 3.13339 D32 -0.00610 0.00008 0.00325 -0.00544 -0.00226 -0.00836 D33 -0.03107 -0.00009 -0.00657 0.01326 0.00648 -0.02459 D34 3.13437 -0.00068 -0.00913 -0.00828 -0.01753 3.11684 D35 -3.11709 -0.00040 -0.00310 -0.01414 -0.01762 -3.13471 D36 0.02053 -0.00062 -0.00419 -0.02131 -0.02548 -0.00495 D37 0.00032 0.00013 -0.00035 0.00715 0.00674 0.00705 D38 3.13794 -0.00009 -0.00144 -0.00002 -0.00113 3.13681 D39 0.00416 -0.00010 -0.00087 -0.00379 -0.00462 -0.00046 D40 -3.14143 -0.00006 0.00035 -0.00262 -0.00208 3.13968 D41 -3.13321 0.00015 0.00036 0.00394 0.00438 -3.12883 D42 0.00439 0.00020 0.00158 0.00511 0.00692 0.01131 D43 3.12366 -0.00025 -0.00135 -0.01705 -0.01838 3.10528 D44 -0.02096 -0.00024 -0.00187 -0.01494 -0.01679 -0.03775 D45 -0.01363 -0.00034 -0.00259 -0.01856 -0.02118 -0.03481 D46 3.12493 -0.00033 -0.00311 -0.01645 -0.01959 3.10534 D47 -3.14123 -0.00004 -0.00014 -0.00126 -0.00133 3.14062 D48 0.00002 -0.00004 0.00008 -0.00193 -0.00181 -0.00179 D49 0.00320 -0.00004 0.00030 -0.00309 -0.00279 0.00042 D50 -3.13873 -0.00004 0.00052 -0.00377 -0.00327 3.14118 D51 -3.13914 -0.00002 0.00037 -0.00152 -0.00110 -3.14024 D52 0.00052 0.00003 0.00030 0.00083 0.00118 0.00171 D53 -0.00053 0.00001 -0.00014 0.00066 0.00053 -0.00001 D54 3.13913 0.00006 -0.00020 0.00301 0.00281 -3.14125 D55 0.00035 0.00006 0.00034 0.00137 0.00172 0.00207 D56 -3.13745 0.00016 0.00123 0.00354 0.00477 -3.13268 D57 -3.14091 0.00005 0.00013 0.00203 0.00218 -3.13873 D58 0.00448 0.00016 0.00101 0.00420 0.00522 0.00970 D59 -0.00668 0.00002 -0.00107 0.00298 0.00189 -0.00479 D60 -3.13384 -0.00002 -0.00072 0.00051 -0.00021 -3.13405 D61 3.13114 -0.00008 -0.00194 0.00079 -0.00117 3.12997 D62 0.00398 -0.00013 -0.00159 -0.00168 -0.00327 0.00071 D63 0.00939 -0.00005 0.00127 -0.00543 -0.00416 0.00523 D64 -3.13361 -0.00007 0.00045 -0.00402 -0.00356 -3.13716 D65 3.13628 -0.00003 0.00072 -0.00282 -0.00212 3.13416 D66 -0.00671 -0.00004 -0.00010 -0.00141 -0.00151 -0.00823 D67 -1.09128 -0.00157 -0.01380 -0.03345 -0.04737 -1.13865 D68 0.98036 0.00201 0.01426 -0.00227 0.01198 0.99235 D69 3.05897 -0.00188 -0.01325 -0.03557 -0.04868 3.01029 D70 2.06531 -0.00155 -0.01311 -0.03599 -0.04923 2.01607 D71 -2.14623 0.00203 0.01495 -0.00481 0.01012 -2.13612 D72 -0.06762 -0.00186 -0.01256 -0.03812 -0.05055 -0.11817 D73 -0.00598 0.00004 -0.00072 0.00370 0.00301 -0.00297 D74 3.13750 -0.00002 -0.00067 0.00142 0.00078 3.13827 D75 3.13700 0.00006 0.00009 0.00231 0.00240 3.13940 D76 -0.00271 0.00000 0.00014 0.00002 0.00017 -0.00254 D77 -1.08431 0.00057 0.00109 -0.00229 -0.00085 -1.08516 D78 1.04479 0.00160 0.01146 0.00978 0.02167 1.06645 D79 3.10104 -0.00077 -0.00568 -0.01773 -0.02290 3.07813 D80 3.11647 -0.00180 -0.01638 -0.03341 -0.05035 3.06612 D81 -1.03762 -0.00077 -0.00600 -0.02134 -0.02783 -1.06545 D82 1.01863 -0.00314 -0.02315 -0.04885 -0.07240 0.94623 D83 1.05297 0.00072 0.00215 -0.00445 -0.00232 1.05065 D84 -3.10112 0.00175 0.01252 0.00762 0.02020 -3.08093 D85 -1.04487 -0.00062 -0.00462 -0.01988 -0.02437 -1.06925 D86 -3.12525 0.00049 0.00318 0.00564 0.00880 -3.11644 D87 1.05076 -0.00083 -0.00648 -0.00965 -0.01617 1.03459 D88 -1.02415 0.00151 0.01042 0.01861 0.02900 -0.99515 D89 1.02902 -0.00076 -0.00673 -0.00761 -0.01438 1.01464 D90 -1.07816 -0.00208 -0.01639 -0.02290 -0.03935 -1.11751 D91 3.13012 0.00026 0.00052 0.00536 0.00581 3.13593 D92 -1.02676 0.00071 0.00859 0.00716 0.01583 -1.01092 D93 -3.13394 -0.00060 -0.00107 -0.00814 -0.00914 3.14011 D94 1.07434 0.00173 0.01583 0.02012 0.03603 1.11037 D95 1.03145 -0.00113 -0.00945 -0.01292 -0.02246 1.00900 D96 -1.03797 0.00100 0.00701 0.01195 0.01896 -1.01901 D97 3.13811 0.00001 -0.00070 0.00071 0.00001 3.13812 D98 -3.13771 -0.00002 -0.00004 -0.00063 -0.00067 -3.13838 D99 1.07605 0.00211 0.01642 0.02423 0.04075 1.11680 D100 -1.03105 0.00111 0.00872 0.01300 0.02180 -1.00925 D101 -1.06961 -0.00213 -0.01576 -0.02610 -0.04195 -1.11156 D102 -3.13903 0.00000 0.00070 -0.00123 -0.00053 -3.13956 D103 1.03705 -0.00099 -0.00700 -0.01246 -0.01949 1.01757 D104 1.04532 -0.00007 -0.00180 0.00106 -0.00074 1.04458 D105 -1.04591 -0.00006 0.00052 -0.00293 -0.00243 -1.04834 D106 -3.14153 -0.00006 -0.00057 -0.00091 -0.00148 3.14017 D107 -3.13114 0.00117 0.00742 0.01581 0.02326 -3.10788 D108 1.06083 0.00118 0.00974 0.01181 0.02157 1.08239 D109 -1.03480 0.00118 0.00865 0.01384 0.02251 -1.01228 D110 -1.05997 -0.00114 -0.00931 -0.01177 -0.02107 -1.08104 D111 3.13199 -0.00112 -0.00699 -0.01576 -0.02277 3.10923 D112 1.03637 -0.00112 -0.00807 -0.01373 -0.02182 1.01455 Item Value Threshold Converged? Maximum Force 0.024919 0.000450 NO RMS Force 0.004947 0.000300 NO Maximum Displacement 0.545512 0.001800 NO RMS Displacement 0.144884 0.001200 NO Predicted change in Energy=-1.210290D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.927244 -5.111671 1.908674 2 6 0 7.370103 -4.664220 3.290955 3 8 0 6.543408 -6.456738 1.886953 4 8 0 2.691931 -2.218177 0.071107 5 6 0 3.551570 -2.911912 0.520918 6 7 0 4.878119 -2.624665 0.240011 7 6 0 6.019406 -3.261418 0.638669 8 8 0 7.110028 -2.889230 0.334595 9 7 0 5.775193 -4.345619 1.430723 10 6 0 4.489877 -4.712119 1.772873 11 6 0 3.369289 -4.086490 1.384401 12 1 0 7.706687 -4.933013 1.192367 13 1 0 7.646705 -3.620533 3.276380 14 1 0 8.233612 -5.236319 3.606572 15 1 0 5.028856 -1.824907 -0.342775 16 1 0 4.491601 -5.580582 2.389256 17 6 0 1.989030 -4.501541 1.764529 18 1 0 6.579797 -4.811414 4.014438 19 1 0 7.272664 -6.995853 2.120454 20 6 0 1.734119 -5.637610 2.550898 21 6 0 0.460643 -6.001184 2.889889 22 6 0 -0.650979 -5.262162 2.468965 23 6 0 -0.397204 -4.152112 1.704442 24 6 0 0.893403 -3.775027 1.354486 25 1 0 2.533826 -6.257206 2.910077 26 1 0 0.307872 -6.875728 3.502187 27 6 0 -2.050438 -5.684070 2.868587 28 1 0 -1.208568 -3.536669 1.351012 29 1 0 1.022876 -2.897305 0.751530 30 6 0 -2.510399 -7.032036 2.293923 31 6 0 -2.582975 -7.072535 0.767165 32 1 0 -2.105100 -5.731129 3.950882 33 1 0 -2.749226 -4.917881 2.559626 34 1 0 -1.853743 -7.819602 2.646024 35 1 0 -3.491878 -7.247070 2.703107 36 6 0 -3.077777 -8.417100 0.227091 37 1 0 -1.606403 -6.857178 0.350183 38 1 0 -3.246841 -6.284627 0.422757 39 1 0 -4.057146 -8.633800 0.640555 40 1 0 -2.416877 -9.205364 0.571939 41 6 0 -3.154782 -8.455519 -1.299238 42 1 0 -2.184645 -8.276280 -1.747072 43 1 0 -3.833231 -7.700611 -1.678464 44 1 0 -3.505647 -9.416771 -1.652651 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518894 0.000000 3 O 1.398931 2.422348 0.000000 4 O 5.448563 6.183514 6.008043 0.000000 5 C 4.261453 5.032384 4.835592 1.192718 0.000000 6 N 3.628850 4.435993 4.491147 2.230062 1.386057 7 C 2.420851 3.290420 3.470283 3.533067 2.495242 8 O 2.729538 3.458076 3.931665 4.476530 3.563406 9 N 1.463726 2.470973 2.292406 3.985106 2.797814 10 C 2.473630 3.256159 2.696980 3.514024 2.385070 11 C 3.739639 4.469366 3.993203 2.382047 1.469171 12 H 1.073567 2.142338 2.038972 5.811655 4.669121 13 H 2.147495 1.079816 3.345419 6.065490 4.986467 14 H 2.145925 1.082848 2.702462 7.233182 6.070062 15 H 4.413130 5.171763 5.359050 2.405656 2.027294 16 H 2.526498 3.152547 2.286891 4.463002 3.390596 17 C 4.977850 5.595747 4.957836 2.928395 2.552453 18 H 2.155253 1.081516 2.689723 6.114756 4.998295 19 H 1.927254 2.610763 0.936473 6.928862 5.751838 20 C 5.259050 5.767104 4.923521 4.331199 3.854008 21 C 6.600829 7.049039 6.181702 5.218746 4.970860 22 C 7.600397 8.085231 7.316075 5.117676 5.194225 23 C 7.389858 7.944201 7.315512 3.993826 4.304839 24 C 6.204915 6.818227 6.276755 2.702877 2.916445 25 H 4.649428 5.106099 4.142866 4.939484 4.234959 26 H 7.033297 7.403410 6.454955 6.256902 5.926328 27 C 9.046980 9.484992 8.684170 6.506026 6.676743 28 H 8.305604 8.867262 8.301034 4.311666 4.872195 29 H 6.411237 7.061017 6.665961 1.926118 2.539229 30 C 9.638741 10.209062 9.081190 7.428215 7.540984 31 C 9.777132 10.546718 9.215422 7.202356 7.416473 32 H 9.281033 9.557890 8.920930 7.099647 7.191005 33 H 9.700276 10.148891 9.443178 6.564092 6.919557 34 H 9.218585 9.769939 8.540828 7.659590 7.603875 35 H 10.665325 11.180308 10.099391 8.393847 8.553695 36 C 10.670240 11.516491 9.958181 8.469977 8.622161 37 H 8.848662 9.697158 8.303098 6.330394 6.496073 38 H 10.348709 11.116285 9.900630 7.206156 7.589679 39 H 11.604755 12.384030 10.893340 9.329230 9.520865 40 H 10.288721 11.126546 9.464191 8.670152 8.673667 41 C 11.095912 12.092023 10.402011 8.658310 8.889303 42 H 10.315316 11.389552 9.627865 7.986700 8.174618 43 H 11.634345 12.626539 11.042375 8.700334 9.072166 44 H 11.834785 12.857212 11.057762 9.654070 9.840828 6 7 8 9 10 6 N 0.000000 7 C 1.366352 0.000000 8 O 2.249525 1.191823 0.000000 9 N 2.276889 1.364728 2.259281 0.000000 10 C 2.618753 2.393828 3.500966 1.379647 0.000000 11 C 2.392306 2.874018 4.065545 2.420262 1.340910 12 H 3.773096 2.438797 2.295391 2.032859 3.276225 13 H 4.228045 3.120030 3.078462 2.726676 3.663013 14 H 5.423450 4.196593 4.180562 3.401690 4.201523 15 H 1.000986 2.001995 2.433699 3.171167 3.619732 16 H 3.675064 3.282874 4.280323 2.022751 1.064968 17 C 3.767447 4.364561 5.555977 3.804046 2.509710 18 H 4.682294 3.756640 4.185353 2.745894 3.066307 19 H 5.327026 4.208605 4.481082 3.121200 3.616650 20 C 4.929785 5.259904 6.431640 4.387973 3.009328 21 C 6.159288 6.593493 7.773551 5.754520 4.375401 22 C 6.518861 7.200486 8.391637 6.573711 5.216847 23 C 5.683897 6.565218 7.734978 6.181493 4.919537 24 C 4.294572 5.201162 6.361701 4.915613 3.740028 25 H 5.081370 5.126725 6.238429 4.043403 2.739829 26 H 7.042761 7.340612 8.496771 6.370557 5.016063 27 C 8.017124 8.715742 9.906886 8.068420 6.702313 28 H 6.254105 7.268204 8.405434 7.030908 5.833688 29 H 3.898574 5.011050 6.101420 5.014323 4.044352 30 C 8.844980 9.471800 10.656192 8.752884 7.393062 31 C 8.702263 9.409681 10.566053 8.816766 7.523845 32 H 8.496236 9.114703 10.299151 8.388674 7.019674 33 H 8.295531 9.128135 10.308786 8.617866 7.284636 34 H 8.837095 9.316276 10.488111 8.470312 7.117609 35 H 9.873719 10.517216 11.704744 9.793670 8.426133 36 C 9.841177 10.464664 11.591388 9.818389 8.566546 37 H 7.744375 8.435975 9.577110 7.871687 6.617398 38 H 8.913119 9.749346 10.899598 9.282933 8.009519 39 H 10.775393 11.419255 12.561826 10.755824 9.471711 40 H 9.830196 10.320166 11.432927 9.563715 8.326748 41 C 10.044683 10.719137 11.790645 10.202373 9.049404 42 H 9.261311 9.906919 10.942787 9.429077 8.345207 43 H 10.263205 11.052148 12.122570 10.641655 9.492993 44 H 10.954561 11.570011 12.619449 11.016250 9.889204 11 12 13 14 15 11 C 0.000000 12 H 4.423404 0.000000 13 H 4.700318 2.463598 0.000000 14 H 5.470082 2.489585 1.750500 0.000000 15 H 3.294246 4.380384 4.814114 6.124176 0.000000 16 H 2.121704 3.491227 3.818830 3.950066 4.675224 17 C 1.490597 5.762390 5.922091 6.551933 4.565702 18 H 4.213071 3.041176 1.761028 1.755564 5.505447 19 H 4.923668 2.303265 3.587319 2.495582 6.151492 20 C 2.537808 6.165520 6.289165 6.596885 5.810795 21 C 3.793780 7.518492 7.579997 7.843322 6.982834 22 C 4.326782 8.461006 8.496966 8.957163 7.209794 23 C 3.780635 8.157517 8.213285 8.904190 6.248929 24 C 2.495579 6.912890 7.023150 7.815749 4.877052 25 H 2.781671 5.609145 5.764352 5.832227 6.037508 26 H 4.651573 7.990736 8.031547 8.094190 7.910891 27 C 5.841961 9.928509 9.922654 10.320213 8.678847 28 H 4.610878 9.025338 9.062557 9.855513 6.686142 29 H 2.705613 7.000841 7.125521 8.100430 4.288987 30 C 6.638841 10.488478 10.759663 10.971847 9.534502 31 C 6.687817 10.518341 11.084171 11.332806 9.311796 32 H 6.265828 10.223383 10.000364 10.356271 9.197140 33 H 6.285586 10.544939 10.501058 11.037220 8.859400 34 H 6.542774 10.091945 10.406155 10.457091 9.604138 35 H 7.668368 11.534516 11.728105 11.930904 10.548941 36 C 7.852274 11.374326 12.137534 12.226438 10.464189 37 H 5.788250 9.547007 10.230275 10.490813 8.356471 38 H 7.037737 11.063406 11.571945 11.959784 9.431983 39 H 8.739752 12.344557 13.002329 13.092092 11.396639 40 H 7.768056 11.005656 11.822861 11.764151 10.523630 41 C 8.297821 11.687072 12.688006 12.811157 10.575999 42 H 7.629328 10.846943 11.981924 12.101361 9.778898 43 H 8.620864 12.209462 13.152431 13.401979 10.716554 44 H 9.214137 12.406234 13.500618 13.525746 11.497387 16 17 18 19 20 16 H 0.000000 17 C 2.795975 0.000000 18 H 2.755612 5.121840 0.000000 19 H 3.132021 5.853637 2.973048 0.000000 20 C 2.762805 1.404995 5.128854 5.718880 0.000000 21 C 4.083646 2.418952 6.334367 6.927122 1.367056 22 C 5.153045 2.836269 7.407819 8.118575 2.415857 23 C 5.139058 2.412432 7.378977 8.190654 2.732349 24 C 4.156658 1.377083 6.362744 7.187169 2.367999 25 H 2.135874 2.165974 4.436193 4.860626 1.073518 26 H 4.518806 3.388585 6.622751 7.101545 2.114726 27 C 6.560392 4.351393 8.749598 9.444613 3.798152 28 H 6.143896 3.365503 8.329312 9.191806 3.809605 29 H 4.681258 2.129130 6.722332 7.598151 3.354529 30 C 7.151491 5.189270 9.514357 9.784668 4.475086 31 C 7.409908 5.339287 9.980674 9.948412 4.886514 32 H 6.780694 4.801451 8.733690 9.638073 4.087579 33 H 7.273086 4.822509 9.442376 10.244468 4.540756 34 H 6.733687 5.153006 9.057944 9.178567 4.200345 35 H 8.161594 6.201549 10.444646 10.783225 5.470335 36 C 8.367573 6.585427 10.982427 10.617740 6.023287 37 H 6.555393 4.525101 9.199228 9.054884 4.182055 38 H 8.015379 5.691581 10.565668 10.679326 5.455051 39 H 9.244521 7.409125 11.795689 11.542858 6.794506 40 H 8.010541 6.554406 10.587622 10.058183 5.820302 41 C 8.963115 7.174916 11.673761 11.070526 6.831216 42 H 8.303509 6.633216 11.046073 10.297472 6.386849 43 H 9.504930 7.482444 12.214243 11.758799 7.289641 44 H 9.747273 8.125766 12.451561 11.673437 7.707595 21 22 23 24 25 21 C 0.000000 22 C 1.399655 0.000000 23 C 2.358018 1.371535 0.000000 24 C 2.738707 2.416351 1.389363 0.000000 25 H 2.089029 3.365662 3.804723 3.357390 0.000000 26 H 1.078459 2.142554 3.338727 3.817042 2.384960 27 C 2.531115 1.515318 2.536791 3.821407 4.620139 28 H 3.350857 2.130271 1.077959 2.115445 4.882369 29 H 3.810873 3.368074 2.121135 1.072715 4.269806 30 C 3.200769 2.573040 3.620365 4.803802 5.140449 31 C 3.862301 3.147409 3.766292 4.827392 5.607004 32 H 2.789565 2.128492 3.233681 4.422514 4.783270 33 H 3.403803 2.128236 2.617202 4.003401 5.461433 34 H 2.953388 2.831694 4.056916 5.057022 4.664930 35 H 4.148438 3.473527 4.489220 5.753655 6.109973 36 C 5.044558 4.568258 5.249587 6.212096 6.584349 37 H 3.384600 2.818891 3.257846 4.093570 4.904541 38 H 4.462345 3.459899 3.782958 4.930298 6.293142 39 H 5.692152 5.129620 5.883244 6.973185 7.364771 40 H 4.890786 4.718680 5.558507 6.407721 6.218359 41 C 6.053416 5.537681 5.928376 6.733280 7.410208 42 H 5.803018 5.404813 5.667156 6.273382 6.930344 43 H 6.495788 5.768356 5.986834 6.852012 7.979821 44 H 6.930538 6.511345 6.974892 7.760399 8.202230 26 27 28 29 30 26 H 0.000000 27 C 2.717190 0.000000 28 H 4.251642 2.760999 0.000000 29 H 4.889294 4.657602 2.397396 0.000000 30 C 3.070340 1.535843 3.847264 5.653230 0.000000 31 C 3.984480 2.574375 3.838258 5.516789 1.529019 32 H 2.708111 1.084696 3.518345 5.296287 2.145260 33 H 3.750657 1.082038 2.396273 4.645502 2.144128 34 H 2.509282 2.156089 4.520711 6.007750 1.084174 35 H 3.900580 2.132628 4.561660 6.565982 1.084883 36 C 4.956279 3.937307 5.345630 6.896270 2.551885 37 H 3.687807 2.813487 3.490805 4.770198 2.150793 38 H 4.740072 2.788214 3.545066 5.460085 2.145281 39 H 5.507553 4.206176 5.882168 7.663310 2.773392 40 H 4.630099 4.219998 5.848168 7.187195 2.774406 41 C 6.126940 5.125551 5.916643 7.249291 3.918206 42 H 5.977366 5.295458 5.745848 6.742742 4.240743 43 H 6.683436 5.283982 5.779706 7.249717 4.239899 44 H 6.897259 6.040884 6.991006 8.294037 4.717301 31 32 33 34 35 31 C 0.000000 32 H 3.487663 0.000000 33 H 2.807685 1.735472 0.000000 34 H 2.149419 2.475390 3.037983 0.000000 35 H 2.145795 2.403783 2.448927 1.736242 0.000000 36 C 1.531131 4.693311 4.218199 2.776059 2.769676 37 H 1.083488 3.805485 3.154133 2.501664 3.040276 38 H 1.086340 3.749347 2.584923 3.039702 2.487235 39 H 2.150990 4.816041 4.381957 3.088658 2.548857 40 H 2.148176 4.856415 4.737496 2.557202 3.087461 41 C 2.551397 6.007320 5.250732 4.202641 4.194371 42 H 2.815858 6.241058 5.490469 4.429147 4.751024 43 H 2.817573 6.209254 5.184599 4.757492 4.418189 44 H 3.493175 6.851647 6.209305 4.874253 4.866253 36 37 38 39 40 36 C 0.000000 37 H 2.147894 0.000000 38 H 2.148095 1.739000 0.000000 39 H 1.084931 3.040862 2.494523 0.000000 40 H 1.084928 2.493997 3.040033 1.738354 0.000000 41 C 1.528753 2.769975 2.772456 2.146821 2.146643 42 H 2.171367 2.597440 3.130990 3.055297 2.508973 43 H 2.171453 3.128186 2.600768 2.509747 3.055267 44 H 2.171599 3.764304 3.766248 2.485153 2.485742 41 42 43 44 41 C 0.000000 42 H 1.083443 0.000000 43 H 1.083508 1.747552 0.000000 44 H 1.082596 1.747765 1.747336 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.456869 -1.578332 0.390905 2 6 0 -5.085286 -1.895643 -0.954994 3 8 0 -3.651682 -2.623036 0.857035 4 8 0 -1.328153 2.878221 0.198270 5 6 0 -1.931735 1.849550 0.208417 6 7 0 -3.264584 1.843345 0.588716 7 6 0 -4.150225 0.806340 0.673443 8 8 0 -5.287374 0.949353 1.000371 9 7 0 -3.599926 -0.393419 0.326698 10 6 0 -2.282740 -0.492885 -0.071491 11 6 0 -1.413438 0.524440 -0.157524 12 1 0 -5.217902 -1.342347 1.110409 13 1 0 -5.688588 -1.065891 -1.291952 14 1 0 -5.726326 -2.764111 -0.869017 15 1 0 -3.642839 2.735973 0.837938 16 1 0 -2.027268 -1.501678 -0.297828 17 6 0 0.007520 0.393753 -0.588429 18 1 0 -4.324678 -2.104421 -1.694969 19 1 0 -4.173142 -3.390948 0.981017 20 6 0 0.585221 -0.845409 -0.912076 21 6 0 1.890421 -0.944345 -1.306420 22 6 0 2.715488 0.181984 -1.404816 23 6 0 2.146407 1.389839 -1.091225 24 6 0 0.821110 1.500234 -0.689068 25 1 0 0.017975 -1.755261 -0.858753 26 1 0 2.293818 -1.913352 -1.554151 27 6 0 4.155915 0.042588 -1.854182 28 1 0 2.725749 2.296963 -1.150242 29 1 0 0.438215 2.474603 -0.455158 30 6 0 5.059302 -0.751461 -0.899095 31 6 0 5.211311 -0.126023 0.487851 32 1 0 4.173158 -0.436444 -2.827216 33 1 0 4.577468 1.029667 -1.991205 34 1 0 4.682534 -1.763270 -0.800489 35 1 0 6.037003 -0.833447 -1.362074 36 6 0 6.144854 -0.921867 1.404089 37 1 0 4.238490 -0.039114 0.956906 38 1 0 5.594413 0.884878 0.380859 39 1 0 7.120916 -1.007676 0.938241 40 1 0 5.764646 -1.932427 1.510291 41 6 0 6.300337 -0.293569 2.789063 42 1 0 5.346877 -0.223109 3.298768 43 1 0 6.709644 0.707522 2.723677 44 1 0 6.963525 -0.877046 3.414962 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5289954 0.1063877 0.1015451 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1738.6706211272 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.45D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.998598 0.052230 -0.002790 0.008143 Ang= 6.07 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.106690773 A.U. after 15 cycles NFock= 15 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 -0.002185104 -0.001578072 -0.000465865 2 6 -0.001009226 -0.000988914 -0.001010237 3 8 -0.011140948 0.009326092 -0.002411948 4 8 0.008086301 0.011398552 -0.009463904 5 6 0.008975288 -0.005982671 0.004300759 6 7 0.001777979 0.010017644 -0.008099647 7 6 -0.014014253 -0.001418312 0.003374599 8 8 0.010031973 0.004125682 -0.003801348 9 7 -0.001025660 -0.004809286 0.001520265 10 6 0.002351708 -0.001126736 0.001784553 11 6 -0.000491097 -0.000628297 0.000561455 12 1 0.002684780 0.000613531 -0.001421718 13 1 0.000621811 0.002367077 -0.000336122 14 1 0.001917487 -0.001252175 0.000928271 15 1 -0.000872160 -0.001592617 0.001278385 16 1 -0.005189206 -0.002419617 0.001624405 17 6 0.006118594 -0.007640253 0.004518535 18 1 -0.001764696 -0.000424500 0.001442950 19 1 0.010254440 -0.007382664 0.003326319 20 6 0.008390929 0.001487607 -0.001850510 21 6 -0.008785813 -0.002853566 0.003124984 22 6 0.000998729 -0.007803137 0.005422695 23 6 -0.003811336 0.005453046 -0.004016207 24 6 -0.010729251 0.009000743 -0.004532116 25 1 0.002428325 0.000282802 -0.000436010 26 1 0.001345257 0.000850459 -0.000712299 27 6 0.002023396 0.000728930 -0.002547983 28 1 -0.000466353 -0.001557282 0.001093034 29 1 -0.003992255 -0.007214756 0.005406397 30 6 0.000581698 0.001434476 -0.001153517 31 6 -0.001346526 -0.001906004 0.000951465 32 1 -0.000409744 -0.000293482 0.001930293 33 1 -0.001936329 0.002471175 -0.000411987 34 1 0.001419395 -0.001937730 0.000603096 35 1 -0.001907706 -0.001211748 0.000865673 36 6 0.000925521 0.002487940 -0.001606293 37 1 0.001733302 0.000616813 -0.000961946 38 1 -0.000866442 0.001609571 -0.000977114 39 1 -0.001869016 -0.000645316 0.001022482 40 1 0.001073318 -0.001766317 0.000819484 41 6 0.000209068 0.000319309 0.001326289 42 1 0.002061976 0.000442826 -0.000398969 43 1 -0.001400129 0.001681494 -0.000285542 44 1 -0.000798027 -0.002282315 -0.000325109 ------------------------------------------------------------------- Cartesian Forces: Max 0.014014253 RMS 0.004167432 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.042691822 RMS 0.005565269 Search for a local minimum. Step number 3 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 3 DE= -6.43D-03 DEPred=-1.21D-02 R= 5.32D-01 TightC=F SS= 1.41D+00 RLast= 3.91D-01 DXNew= 8.4853D-01 1.1740D+00 Trust test= 5.32D-01 RLast= 3.91D-01 DXMaxT set to 8.49D-01 ITU= 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00230 0.00230 0.00289 0.00300 Eigenvalues --- 0.00544 0.00612 0.01359 0.01457 0.01457 Eigenvalues --- 0.01505 0.01536 0.01638 0.01842 0.01872 Eigenvalues --- 0.01885 0.01948 0.02056 0.02075 0.02109 Eigenvalues --- 0.02174 0.02247 0.02443 0.02466 0.02468 Eigenvalues --- 0.02569 0.02593 0.03268 0.03418 0.03442 Eigenvalues --- 0.03798 0.04630 0.04724 0.04766 0.05123 Eigenvalues --- 0.05298 0.05344 0.05405 0.05418 0.05481 Eigenvalues --- 0.05608 0.08346 0.08359 0.08500 0.08562 Eigenvalues --- 0.09686 0.12223 0.12231 0.12350 0.13088 Eigenvalues --- 0.15190 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16054 0.16283 0.17996 0.18648 Eigenvalues --- 0.20301 0.21913 0.21931 0.21980 0.22012 Eigenvalues --- 0.22633 0.22947 0.23741 0.23990 0.24796 Eigenvalues --- 0.24996 0.24999 0.25000 0.25000 0.26057 Eigenvalues --- 0.27374 0.27854 0.28245 0.28813 0.28933 Eigenvalues --- 0.29859 0.31079 0.31365 0.32907 0.33535 Eigenvalues --- 0.33558 0.33654 0.33677 0.33695 0.33713 Eigenvalues --- 0.33719 0.33731 0.33743 0.33748 0.33758 Eigenvalues --- 0.33781 0.33788 0.33853 0.34038 0.35121 Eigenvalues --- 0.35419 0.37829 0.38199 0.38557 0.38889 Eigenvalues --- 0.39306 0.43170 0.43920 0.46974 0.48985 Eigenvalues --- 0.50685 0.51514 0.52057 0.53254 0.55642 Eigenvalues --- 0.56096 0.56921 0.58329 0.61831 0.88461 Eigenvalues --- 0.90527 RFO step: Lambda=-9.40052760D-03 EMin= 2.29949038D-03 Quartic linear search produced a step of -0.31676. Iteration 1 RMS(Cart)= 0.12249410 RMS(Int)= 0.00267966 Iteration 2 RMS(Cart)= 0.00898849 RMS(Int)= 0.00006033 Iteration 3 RMS(Cart)= 0.00002407 RMS(Int)= 0.00005973 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00005973 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87029 0.00078 0.01089 -0.02021 -0.00932 2.86098 R2 2.64360 -0.00164 0.00450 -0.00992 -0.00542 2.63818 R3 2.76604 -0.00083 -0.02091 0.03142 0.01052 2.77656 R4 2.02875 0.00300 0.00575 -0.00133 0.00442 2.03316 R5 2.04056 0.00245 0.00535 -0.00297 0.00238 2.04294 R6 2.04629 0.00246 0.00420 -0.00158 0.00262 2.04891 R7 2.04377 0.00231 0.00497 -0.00276 0.00221 2.04597 R8 1.76968 0.01306 0.01447 -0.00368 0.01079 1.78046 R9 2.25391 0.00437 0.01201 -0.01793 -0.00592 2.24799 R10 2.61927 0.00026 -0.01745 0.03027 0.01279 2.63205 R11 2.77633 0.01828 0.00728 0.02054 0.02780 2.80413 R12 2.58203 -0.00194 -0.00349 0.00419 0.00068 2.58271 R13 1.89159 -0.00215 -0.00516 0.00452 -0.00064 1.89095 R14 2.25222 0.01144 0.01452 -0.01633 -0.00182 2.25040 R15 2.57896 0.00392 -0.00282 0.01082 0.00802 2.58698 R16 2.60716 -0.00214 0.00631 -0.01654 -0.01020 2.59696 R17 2.53395 -0.00150 -0.00073 -0.00194 -0.00264 2.53131 R18 2.01250 0.00290 -0.00289 0.00916 0.00626 2.01876 R19 2.81682 0.01239 0.01300 -0.00119 0.01181 2.82863 R20 2.65505 0.00047 0.02667 -0.04818 -0.02152 2.63354 R21 2.60231 0.01584 -0.01288 0.04154 0.02867 2.63098 R22 2.58336 0.00696 -0.01288 0.03089 0.01799 2.60135 R23 2.02866 0.00150 -0.00357 0.00723 0.00365 2.03231 R24 2.64496 -0.00198 0.02127 -0.04258 -0.02132 2.62364 R25 2.03799 -0.00128 -0.00421 0.00431 0.00010 2.03810 R26 2.59182 0.00637 -0.01401 0.03245 0.01845 2.61027 R27 2.86354 -0.00032 0.00103 -0.00471 -0.00368 2.85985 R28 2.62552 0.00553 0.02856 -0.04286 -0.01429 2.61123 R29 2.03705 -0.00090 -0.00365 0.00443 0.00078 2.03783 R30 2.02714 -0.00942 -0.00598 -0.00417 -0.01015 2.01699 R31 2.90232 0.00112 0.00953 -0.01769 -0.00816 2.89417 R32 2.04978 0.00196 0.00433 -0.00335 0.00097 2.05075 R33 2.04476 0.00312 0.00369 0.00175 0.00544 2.05019 R34 2.88943 0.00043 0.00672 -0.01292 -0.00620 2.88322 R35 2.04879 0.00246 0.00314 0.00115 0.00429 2.05308 R36 2.05013 0.00229 0.00346 -0.00037 0.00310 2.05323 R37 2.89342 -0.00047 0.00379 -0.01014 -0.00635 2.88707 R38 2.04749 0.00206 0.00278 0.00110 0.00388 2.05138 R39 2.05289 0.00201 0.00270 0.00056 0.00326 2.05614 R40 2.05022 0.00221 0.00348 -0.00046 0.00303 2.05325 R41 2.05022 0.00220 0.00331 -0.00019 0.00312 2.05334 R42 2.88892 -0.00032 0.00501 -0.01214 -0.00713 2.88180 R43 2.04741 0.00208 0.00355 -0.00061 0.00294 2.05035 R44 2.04753 0.00215 0.00364 -0.00063 0.00301 2.05055 R45 2.04581 0.00239 0.00457 -0.00242 0.00214 2.04795 A1 1.95776 -0.00029 -0.00942 0.01361 0.00423 1.96199 A2 1.95246 -0.00021 -0.00038 -0.00866 -0.00904 1.94343 A3 1.92463 -0.00021 -0.00787 0.01758 0.00971 1.93435 A4 1.85686 -0.00070 0.00123 -0.00193 -0.00060 1.85627 A5 1.92714 0.00066 0.00252 0.00172 0.00447 1.93162 A6 1.84053 0.00082 0.01526 -0.02544 -0.01014 1.83039 A7 1.92531 -0.00043 -0.00282 0.00312 0.00032 1.92563 A8 1.91997 0.00041 0.00163 -0.00471 -0.00308 1.91689 A9 1.93439 -0.00022 -0.00488 0.00921 0.00435 1.93874 A10 1.88632 0.00005 0.00334 -0.00481 -0.00148 1.88484 A11 1.90473 0.00028 0.00049 0.00047 0.00100 1.90573 A12 1.89214 -0.00007 0.00245 -0.00372 -0.00128 1.89086 A13 1.91345 -0.00029 -0.00634 0.01430 0.00796 1.92140 A14 2.08613 -0.01953 -0.00607 -0.03680 -0.04285 2.04328 A15 2.21086 0.01719 -0.01082 0.05797 0.04717 2.25803 A16 1.98618 0.00234 0.01689 -0.02114 -0.00431 1.98187 A17 2.27013 -0.00235 -0.02243 0.02877 0.00630 2.27643 A18 2.01274 0.00065 0.01240 -0.01984 -0.00742 2.00532 A19 2.00031 0.00171 0.01003 -0.00894 0.00111 2.00142 A20 2.14645 -0.00223 -0.01053 0.01584 0.00531 2.15176 A21 1.97153 0.00209 0.01897 -0.02644 -0.00746 1.96407 A22 2.16508 0.00014 -0.00840 0.01064 0.00223 2.16731 A23 2.05381 0.00195 0.00597 -0.00950 -0.00357 2.05023 A24 2.10976 -0.00236 -0.00392 0.00403 0.00007 2.10983 A25 2.11962 0.00041 -0.00213 0.00547 0.00338 2.12300 A26 2.19292 0.00421 -0.01103 0.02531 0.01433 2.20725 A27 1.93763 0.00311 0.02138 -0.01908 0.00228 1.93991 A28 2.15257 -0.00732 -0.01033 -0.00631 -0.01667 2.13591 A29 2.02595 -0.00670 -0.00027 -0.01203 -0.01231 2.01365 A30 2.07989 0.04269 0.02269 0.05761 0.08029 2.16018 A31 2.17735 -0.03599 -0.02242 -0.04559 -0.06801 2.10933 A32 2.13635 -0.02776 -0.01882 -0.02819 -0.04702 2.08933 A33 2.11050 0.03251 0.01550 0.04267 0.05817 2.16867 A34 2.03633 -0.00475 0.00332 -0.01449 -0.01117 2.02516 A35 2.12099 0.00486 -0.00087 0.01258 0.01169 2.13268 A36 2.11624 -0.00444 -0.00644 -0.00018 -0.00661 2.10963 A37 2.04596 -0.00042 0.00731 -0.01240 -0.00509 2.04087 A38 2.12333 -0.00032 -0.00406 0.00342 -0.00065 2.12268 A39 2.08107 -0.00104 0.00325 -0.01013 -0.00687 2.07420 A40 2.07877 0.00136 0.00081 0.00670 0.00752 2.08628 A41 2.03535 0.00054 0.00786 -0.01212 -0.00426 2.03109 A42 2.10269 0.00201 -0.00212 0.01105 0.00894 2.11163 A43 2.14508 -0.00255 -0.00575 0.00110 -0.00465 2.14043 A44 2.13169 0.00082 -0.00411 0.00860 0.00451 2.13620 A45 2.10085 -0.00218 -0.00201 -0.00484 -0.00686 2.09399 A46 2.05064 0.00137 0.00612 -0.00376 0.00235 2.05299 A47 2.11867 -0.00116 -0.00215 0.00202 -0.00011 2.11856 A48 2.09788 0.00351 0.00208 0.00674 0.00881 2.10669 A49 2.06664 -0.00235 0.00007 -0.00876 -0.00870 2.05794 A50 2.00675 -0.00073 -0.00858 0.00927 0.00085 2.00760 A51 1.89838 0.00024 -0.00317 0.00820 0.00535 1.90373 A52 1.90072 0.00033 0.00370 -0.00403 -0.00034 1.90038 A53 1.89671 0.00008 -0.00858 0.01444 0.00606 1.90276 A54 1.89782 0.00036 0.00214 0.00006 0.00213 1.89995 A55 1.85780 -0.00025 0.01583 -0.03136 -0.01556 1.84224 A56 1.99443 -0.00068 -0.00408 -0.00005 -0.00408 1.99036 A57 1.91203 0.00028 -0.00233 0.00744 0.00517 1.91720 A58 1.87945 0.00061 0.00330 -0.00233 0.00103 1.88048 A59 1.91112 0.00020 -0.00194 0.00513 0.00323 1.91435 A60 1.90543 -0.00009 -0.00529 0.01166 0.00636 1.91179 A61 1.85612 -0.00029 0.01139 -0.02386 -0.01246 1.84366 A62 1.97230 -0.00059 -0.00770 0.00759 -0.00003 1.97227 A63 1.91371 0.00020 -0.00034 0.00237 0.00211 1.91583 A64 1.90325 0.00035 -0.00047 0.00471 0.00429 1.90754 A65 1.90717 0.00019 -0.00198 0.00568 0.00375 1.91092 A66 1.90456 0.00017 -0.00086 0.00397 0.00315 1.90771 A67 1.85942 -0.00030 0.01224 -0.02642 -0.01418 1.84523 A68 1.90995 0.00012 -0.00171 0.00492 0.00327 1.91322 A69 1.90610 0.00023 -0.00108 0.00468 0.00363 1.90973 A70 1.97199 -0.00047 -0.00736 0.00769 0.00040 1.97239 A71 1.85838 -0.00024 0.01223 -0.02565 -0.01342 1.84497 A72 1.90710 0.00022 -0.00085 0.00380 0.00302 1.91012 A73 1.90686 0.00014 -0.00034 0.00249 0.00220 1.90906 A74 1.94274 -0.00051 -0.00583 0.00855 0.00276 1.94550 A75 1.94279 -0.00049 -0.00609 0.00907 0.00303 1.94582 A76 1.94397 -0.00043 -0.00250 -0.00088 -0.00336 1.94061 A77 1.87627 0.00049 0.00580 -0.00808 -0.00223 1.87404 A78 1.87775 0.00052 0.00459 -0.00477 -0.00016 1.87760 A79 1.87700 0.00052 0.00477 -0.00500 -0.00020 1.87680 D1 -3.12857 0.00060 0.00105 0.00255 0.00359 -3.12498 D2 1.07527 0.00056 -0.00234 0.00950 0.00714 1.08241 D3 -1.01702 0.00052 -0.00332 0.01131 0.00796 -1.00906 D4 -1.04352 -0.00064 -0.00400 0.00347 -0.00054 -1.04405 D5 -3.12286 -0.00068 -0.00739 0.01043 0.00302 -3.11985 D6 1.06804 -0.00072 -0.00836 0.01223 0.00383 1.07187 D7 0.99892 0.00011 0.00965 -0.02227 -0.01257 0.98635 D8 -1.08043 0.00007 0.00626 -0.01532 -0.00902 -1.08945 D9 3.11047 0.00003 0.00528 -0.01351 -0.00820 3.10227 D10 -1.07992 -0.00027 0.00400 -0.01301 -0.00905 -1.08897 D11 3.06309 0.00063 0.00928 -0.00928 -0.00001 3.06308 D12 1.07436 -0.00027 -0.01078 0.02076 0.01003 1.08440 D13 1.65482 0.00013 0.00581 -0.01270 -0.00691 1.64791 D14 -1.48661 0.00046 -0.00173 0.01099 0.00925 -1.47736 D15 -2.48486 -0.00082 -0.00521 -0.00241 -0.00755 -2.49241 D16 0.65689 -0.00049 -0.01275 0.02128 0.00861 0.66551 D17 -0.43765 -0.00001 0.00595 -0.01339 -0.00751 -0.44516 D18 2.70410 0.00033 -0.00159 0.01029 0.00866 2.71276 D19 3.13724 0.00029 0.00083 0.00422 0.00485 -3.14110 D20 0.00000 0.00035 -0.00066 0.00861 0.00775 0.00776 D21 0.00153 -0.00017 -0.00153 -0.00145 -0.00293 -0.00139 D22 -3.13570 -0.00011 -0.00303 0.00294 -0.00002 -3.13572 D23 -3.13870 -0.00039 -0.00232 -0.00743 -0.01005 3.13443 D24 0.00426 -0.00013 -0.00145 -0.00230 -0.00379 0.00047 D25 -0.00350 -0.00004 0.00023 -0.00169 -0.00149 -0.00498 D26 3.13947 0.00022 0.00110 0.00344 0.00477 -3.13895 D27 -3.12102 -0.00008 -0.00372 0.00423 0.00049 -3.12053 D28 0.00438 0.00031 0.00106 0.00627 0.00727 0.01165 D29 0.01624 -0.00014 -0.00223 -0.00015 -0.00243 0.01381 D30 -3.14155 0.00025 0.00255 0.00189 0.00435 -3.13719 D31 3.13339 0.00008 -0.00689 0.01576 0.00894 -3.14085 D32 -0.00836 -0.00025 0.00072 -0.00807 -0.00735 -0.01571 D33 -0.02459 0.00045 -0.00205 0.01788 0.01583 -0.00876 D34 3.11684 0.00012 0.00555 -0.00595 -0.00046 3.11638 D35 -3.13471 -0.00029 0.00558 -0.01852 -0.01283 3.13564 D36 -0.00495 -0.00041 0.00807 -0.02575 -0.01769 -0.02264 D37 0.00705 0.00006 -0.00213 0.00607 0.00401 0.01106 D38 3.13681 -0.00007 0.00036 -0.00117 -0.00084 3.13597 D39 -0.00046 0.00008 0.00146 -0.00050 0.00090 0.00044 D40 3.13968 -0.00012 0.00066 -0.00586 -0.00503 3.13465 D41 -3.12883 0.00014 -0.00139 0.00763 0.00610 -3.12273 D42 0.01131 -0.00006 -0.00219 0.00227 0.00018 0.01148 D43 3.10528 -0.00069 0.00582 -0.04386 -0.03806 3.06722 D44 -0.03775 -0.00094 0.00532 -0.04949 -0.04423 -0.08198 D45 -0.03481 -0.00043 0.00671 -0.03829 -0.03153 -0.06634 D46 3.10534 -0.00069 0.00620 -0.04392 -0.03770 3.06764 D47 3.14062 -0.00012 0.00042 -0.00519 -0.00459 3.13603 D48 -0.00179 -0.00016 0.00057 -0.00650 -0.00578 -0.00757 D49 0.00042 0.00009 0.00088 0.00017 0.00103 0.00144 D50 3.14118 0.00006 0.00104 -0.00114 -0.00016 3.14102 D51 -3.14024 0.00016 0.00035 0.00290 0.00340 -3.13684 D52 0.00171 0.00008 -0.00037 0.00289 0.00262 0.00433 D53 -0.00001 -0.00011 -0.00017 -0.00243 -0.00260 -0.00261 D54 -3.14125 -0.00018 -0.00089 -0.00244 -0.00337 3.13857 D55 0.00207 -0.00003 -0.00055 0.00039 -0.00012 0.00195 D56 -3.13268 -0.00006 -0.00151 0.00177 0.00026 -3.13243 D57 -3.13873 0.00001 -0.00069 0.00165 0.00102 -3.13771 D58 0.00970 -0.00002 -0.00165 0.00303 0.00140 0.01110 D59 -0.00479 -0.00002 -0.00060 0.00137 0.00076 -0.00403 D60 -3.13405 -0.00005 0.00007 -0.00152 -0.00148 -3.13554 D61 3.12997 -0.00001 0.00037 -0.00007 0.00032 3.13029 D62 0.00071 -0.00003 0.00103 -0.00296 -0.00192 -0.00121 D63 0.00523 0.00001 0.00132 -0.00365 -0.00235 0.00287 D64 -3.13716 0.00005 0.00113 -0.00219 -0.00106 -3.13822 D65 3.13416 0.00007 0.00067 -0.00061 0.00003 3.13420 D66 -0.00823 0.00010 0.00048 0.00085 0.00133 -0.00690 D67 -1.13865 -0.00015 0.01500 -0.04113 -0.02609 -1.16474 D68 0.99235 -0.00037 -0.00380 -0.00963 -0.01344 0.97891 D69 3.01029 -0.00036 0.01542 -0.04460 -0.02920 2.98109 D70 2.01607 -0.00020 0.01560 -0.04411 -0.02848 1.98759 D71 -2.13612 -0.00042 -0.00321 -0.01262 -0.01583 -2.15195 D72 -0.11817 -0.00041 0.01601 -0.04758 -0.03160 -0.14977 D73 -0.00297 0.00006 -0.00095 0.00436 0.00342 0.00045 D74 3.13827 0.00014 -0.00025 0.00437 0.00418 -3.14073 D75 3.13940 0.00003 -0.00076 0.00293 0.00216 3.14156 D76 -0.00254 0.00011 -0.00005 0.00295 0.00291 0.00037 D77 -1.08516 -0.00034 0.00027 -0.01328 -0.01306 -1.09822 D78 1.06645 -0.00035 -0.00686 -0.00083 -0.00777 1.05868 D79 3.07813 -0.00022 0.00725 -0.02643 -0.01926 3.05887 D80 3.06612 -0.00021 0.01595 -0.04138 -0.02533 3.04080 D81 -1.06545 -0.00022 0.00881 -0.02893 -0.02003 -1.08548 D82 0.94623 -0.00008 0.02293 -0.05453 -0.03152 0.91471 D83 1.05065 -0.00015 0.00074 -0.01203 -0.01128 1.03936 D84 -3.08093 -0.00015 -0.00640 0.00042 -0.00599 -3.08692 D85 -1.06925 -0.00002 0.00772 -0.02517 -0.01748 -1.08673 D86 -3.11644 -0.00008 -0.00279 0.00523 0.00245 -3.11399 D87 1.03459 -0.00006 0.00512 -0.00903 -0.00390 1.03069 D88 -0.99515 -0.00001 -0.00919 0.01869 0.00951 -0.98563 D89 1.01464 -0.00011 0.00456 -0.00846 -0.00389 1.01075 D90 -1.11751 -0.00009 0.01247 -0.02273 -0.01024 -1.12776 D91 3.13593 -0.00004 -0.00184 0.00500 0.00317 3.13910 D92 -1.01092 0.00018 -0.00502 0.01071 0.00566 -1.00526 D93 3.14011 0.00019 0.00289 -0.00356 -0.00069 3.13942 D94 1.11037 0.00024 -0.01141 0.02417 0.01273 1.12310 D95 1.00900 0.00001 0.00711 -0.01290 -0.00577 1.00323 D96 -1.01901 0.00010 -0.00601 0.01247 0.00646 -1.01255 D97 3.13812 0.00006 -0.00000 0.00076 0.00076 3.13888 D98 -3.13838 0.00000 0.00021 -0.00055 -0.00034 -3.13872 D99 1.11680 0.00009 -0.01291 0.02482 0.01188 1.12869 D100 -1.00925 0.00006 -0.00691 0.01311 0.00618 -1.00307 D101 -1.11156 -0.00016 0.01329 -0.02679 -0.01348 -1.12504 D102 -3.13956 -0.00007 0.00017 -0.00142 -0.00125 -3.14082 D103 1.01757 -0.00011 0.00617 -0.01313 -0.00695 1.01062 D104 1.04458 0.00000 0.00023 0.00004 0.00026 1.04484 D105 -1.04834 0.00006 0.00077 -0.00161 -0.00083 -1.04917 D106 3.14017 0.00002 0.00047 -0.00082 -0.00035 3.13983 D107 -3.10788 -0.00000 -0.00737 0.01430 0.00692 -3.10096 D108 1.08239 0.00005 -0.00683 0.01265 0.00582 1.08821 D109 -1.01228 0.00002 -0.00713 0.01344 0.00631 -1.00598 D110 -1.08104 -0.00008 0.00668 -0.01291 -0.00624 -1.08729 D111 3.10923 -0.00003 0.00721 -0.01456 -0.00733 3.10189 D112 1.01455 -0.00006 0.00691 -0.01377 -0.00685 1.00770 Item Value Threshold Converged? Maximum Force 0.042692 0.000450 NO RMS Force 0.005565 0.000300 NO Maximum Displacement 0.416976 0.001800 NO RMS Displacement 0.129187 0.001200 NO Predicted change in Energy=-6.771224D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.834115 -5.161318 1.982657 2 6 0 7.217603 -4.686386 3.368104 3 8 0 6.384391 -6.482955 1.978515 4 8 0 2.883417 -2.072038 -0.149547 5 6 0 3.640203 -2.820071 0.382269 6 7 0 4.998982 -2.614887 0.155169 7 6 0 6.088189 -3.297638 0.619264 8 8 0 7.209700 -2.995237 0.356739 9 7 0 5.743722 -4.351455 1.422316 10 6 0 4.431458 -4.636294 1.714542 11 6 0 3.355250 -3.971998 1.273210 12 1 0 7.652311 -5.036350 1.295267 13 1 0 7.544284 -3.656380 3.335042 14 1 0 8.037167 -5.285645 3.748595 15 1 0 5.214316 -1.839263 -0.439253 16 1 0 4.354866 -5.493125 2.347948 17 6 0 1.975293 -4.398778 1.665805 18 1 0 6.384601 -4.773697 4.054170 19 1 0 7.072042 -7.059680 2.265274 20 6 0 1.800288 -5.547231 2.435592 21 6 0 0.555613 -5.982697 2.830710 22 6 0 -0.600282 -5.298400 2.479682 23 6 0 -0.431093 -4.157962 1.718923 24 6 0 0.814431 -3.712825 1.319051 25 1 0 2.644124 -6.136882 2.746793 26 1 0 0.483392 -6.874335 3.433170 27 6 0 -1.960936 -5.785720 2.928489 28 1 0 -1.289645 -3.579883 1.416269 29 1 0 0.862230 -2.821972 0.733118 30 6 0 -2.403402 -7.120729 2.322233 31 6 0 -2.567678 -7.090591 0.805666 32 1 0 -1.968783 -5.868742 4.010490 33 1 0 -2.701189 -5.029479 2.689389 34 1 0 -1.701179 -7.902237 2.598805 35 1 0 -3.346845 -7.397818 2.784473 36 6 0 -3.046300 -8.422544 0.230415 37 1 0 -1.627524 -6.811921 0.339989 38 1 0 -3.273722 -6.307859 0.536012 39 1 0 -3.988838 -8.702112 0.693032 40 1 0 -2.342860 -9.205824 0.499301 41 6 0 -3.214163 -8.391479 -1.284980 42 1 0 -2.279829 -8.154890 -1.783244 43 1 0 -3.941447 -7.645818 -1.589110 44 1 0 -3.552273 -9.349859 -1.661356 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.513964 0.000000 3 O 1.396064 2.419269 0.000000 4 O 5.449583 6.163916 6.020104 0.000000 5 C 4.271270 5.019575 4.847193 1.189583 0.000000 6 N 3.632043 4.419994 4.495098 2.205256 1.392823 7 C 2.426633 3.280293 3.475851 3.516209 2.505368 8 O 2.734334 3.453747 3.933888 4.452566 3.573883 9 N 1.469291 2.463858 2.294146 3.980934 2.802074 10 C 2.473923 3.240275 2.700701 3.527983 2.387404 11 C 3.744369 4.451596 3.997256 2.420064 1.483883 12 H 1.075904 2.146649 2.041352 5.798016 4.673592 13 H 2.144323 1.081076 3.342910 6.031267 4.965896 14 H 2.140403 1.084236 2.701556 7.216919 6.061723 15 H 4.418760 5.158996 5.364564 2.360340 2.028476 16 H 2.527886 3.144330 2.288059 4.484025 3.394090 17 C 4.928489 5.519271 4.886893 3.087703 2.629012 18 H 2.154873 1.082683 2.688849 6.101515 4.983094 19 H 1.933975 2.621058 0.942181 6.946402 5.770398 20 C 5.068875 5.563986 4.700904 4.464648 3.877992 21 C 6.388540 6.808181 5.911949 5.440023 5.050916 22 C 7.452254 7.891970 7.102112 5.427561 5.340690 23 C 7.338905 7.842295 7.205817 4.339152 4.489103 24 C 6.226965 6.793162 6.255635 3.021533 3.107983 25 H 4.369399 4.838045 3.834007 4.996900 4.193374 26 H 6.735732 7.081027 6.090237 6.454304 5.975827 27 C 8.867772 9.254586 8.428111 6.836189 6.830158 28 H 8.295613 8.798140 8.224036 4.705297 5.094102 29 H 6.534316 7.128110 6.741518 2.329526 2.800042 30 C 9.449144 9.979159 8.817608 7.716828 7.667091 31 C 9.669597 10.397019 9.048995 7.470792 7.546813 32 H 9.061101 9.284412 8.618682 7.434024 7.342963 33 H 9.562367 9.947904 9.228526 6.927758 7.100531 34 H 8.985739 9.512002 8.232591 7.909688 7.698818 35 H 10.454510 10.922456 9.807318 8.705663 8.691674 36 C 10.551234 11.364491 9.785488 8.696829 8.724682 37 H 8.776228 9.587682 8.184361 6.561610 6.609508 38 H 10.275004 10.987166 9.766812 7.504834 7.745364 39 H 11.460221 12.201081 10.685550 9.586224 9.638321 40 H 10.137812 10.957089 9.261047 8.867123 8.751490 41 C 11.048949 12.008357 10.316253 8.854660 8.989028 42 H 10.305700 11.347604 9.592439 8.144271 8.258118 43 H 11.620800 12.564100 10.986497 8.928501 9.200847 44 H 11.777086 12.768464 10.963807 9.832108 9.927046 6 7 8 9 10 6 N 0.000000 7 C 1.366713 0.000000 8 O 2.252237 1.190862 0.000000 9 N 2.275075 1.368970 2.263598 0.000000 10 C 2.615303 2.395076 3.500760 1.374250 0.000000 11 C 2.406994 2.889872 4.080535 2.423018 1.339510 12 H 3.768748 2.434456 2.289734 2.031733 3.272572 13 H 4.204148 3.102315 3.069096 2.717292 3.643616 14 H 5.410751 4.188484 4.175567 3.397672 4.190485 15 H 1.000649 2.002740 2.439556 3.171248 3.615947 16 H 3.675244 3.288300 4.284207 2.022158 1.068283 17 C 3.821908 4.384480 5.575177 3.776583 2.468104 18 H 4.667184 3.750359 4.185058 2.741472 3.050821 19 H 5.339130 4.222591 4.492344 3.132011 3.626125 20 C 4.902103 5.171635 6.332144 4.243498 2.876244 21 C 6.184189 6.535245 7.702099 5.617917 4.252154 22 C 6.629959 7.224946 8.414706 6.500855 5.132469 23 C 5.857655 6.667117 7.847879 6.184962 4.886024 24 C 4.480017 5.336160 6.506953 4.971561 3.753944 25 H 4.966521 4.944620 6.035460 3.814380 2.551837 26 H 7.019882 7.219735 8.351949 6.170861 4.852807 27 C 8.135474 8.735644 9.924780 7.980440 6.607386 28 H 6.486017 7.426123 8.585061 7.075564 5.825461 29 H 4.182060 5.248796 6.360979 5.161712 4.122420 30 C 8.932753 9.466956 10.643993 8.651842 7.297742 31 C 8.815294 9.452262 10.609928 8.772826 7.472452 32 H 8.602373 9.111848 10.288414 8.275477 6.910383 33 H 8.458437 9.194446 10.382924 8.566312 7.209686 34 H 8.878039 9.262567 10.416778 8.331789 7.004109 35 H 9.972086 10.512824 11.692616 9.683708 8.323027 36 C 9.922756 10.481161 11.604186 9.760065 8.512061 37 H 7.846008 8.482948 9.626208 7.846055 6.582858 38 H 9.067564 9.834314 10.995806 9.269700 7.972005 39 H 10.868510 11.435044 12.573335 10.685634 9.406155 40 H 9.872260 10.295807 11.394872 9.476796 8.261284 41 C 10.143904 10.775300 11.852071 10.192886 9.030729 42 H 9.350410 9.969386 11.011480 9.440291 8.346041 43 H 10.405962 11.152451 12.237741 10.664146 9.490885 44 H 11.035559 11.609009 12.659936 10.995844 9.866831 11 12 13 14 15 11 C 0.000000 12 H 4.426971 0.000000 13 H 4.679612 2.465090 0.000000 14 H 5.456514 2.495812 1.751703 0.000000 15 H 3.307146 4.378783 4.793325 6.114254 0.000000 16 H 2.113793 3.491407 3.810561 3.945149 4.675238 17 C 1.496847 5.724712 5.860986 6.470769 4.633968 18 H 4.189681 3.047560 1.763634 1.756827 5.492843 19 H 4.932799 2.317647 3.598592 2.505775 6.165903 20 C 2.500080 5.983938 6.113740 6.378955 5.802529 21 C 3.782417 7.322314 7.382928 7.569811 7.040186 22 C 4.342943 8.341272 8.352355 8.730168 7.368539 23 C 3.817019 8.142019 8.152918 8.780812 6.473387 24 C 2.554414 6.964833 7.025548 7.781025 5.095180 25 H 2.713646 5.329169 5.523631 5.550957 5.935176 26 H 4.619151 7.703390 7.760222 7.725473 7.920180 27 C 5.855883 9.779749 9.749286 10.044138 8.854402 28 H 4.663611 9.060602 9.040234 9.764158 6.983855 29 H 2.798107 7.164125 7.219147 8.163485 4.613114 30 C 6.646581 10.320692 10.582248 10.696145 9.672090 31 C 6.710088 10.435889 10.974667 11.152640 9.470253 32 H 6.279782 10.031488 9.790261 10.026346 9.361294 33 H 6.309063 10.446941 10.357219 10.793508 9.089615 34 H 6.539988 9.869159 10.200388 10.149086 9.685737 35 H 7.677124 11.347938 11.529014 11.618370 10.704365 36 C 7.866042 11.272111 12.021459 12.044125 10.584224 37 H 5.810688 9.496344 10.151347 10.361195 8.493840 38 H 7.067035 11.025943 11.484519 11.802619 9.641902 39 H 8.754782 12.219527 12.862835 12.869868 11.535979 40 H 7.775624 10.859168 11.687317 11.561603 10.595188 41 C 8.320657 11.661682 12.629724 12.711235 10.709156 42 H 7.654581 10.855871 11.956029 12.052975 9.892202 43 H 8.656305 12.228826 13.118114 13.324740 10.902580 44 H 9.232927 12.364897 13.435523 13.420153 11.608431 16 17 18 19 20 16 H 0.000000 17 C 2.706525 0.000000 18 H 2.747471 5.028602 0.000000 19 H 3.137510 5.780709 2.983026 0.000000 20 C 2.556654 1.393608 4.922812 5.487066 0.000000 21 C 3.860967 2.425138 6.077469 6.628986 1.376577 22 C 4.960723 2.846982 7.179340 7.874810 2.413835 23 C 5.008367 2.418990 7.230919 8.063219 2.724472 24 C 4.094237 1.392255 6.295484 7.159223 2.362969 25 H 1.870866 2.153340 4.190307 4.548612 1.075451 26 H 4.251325 3.387880 6.294647 6.693925 2.119099 27 C 6.349173 4.360261 8.481706 9.146448 3.800872 28 H 6.032332 3.375304 8.202302 9.096570 3.802257 29 H 4.684148 2.143626 6.733141 7.672511 3.347448 30 C 6.951543 5.197393 9.259437 9.475812 4.489962 31 C 7.269948 5.350166 9.801228 9.749646 4.910981 32 H 6.549326 4.818099 8.424966 9.284429 4.097507 33 H 7.079510 4.828560 9.191280 9.990877 4.538256 34 H 6.522456 5.163444 8.791227 8.819894 4.222908 35 H 7.945739 6.210541 10.158700 10.437294 5.480818 36 C 8.236668 6.592983 10.810970 10.410518 6.051416 37 H 6.446713 4.534461 9.063313 8.913504 4.211993 38 H 7.883036 5.698525 10.392992 10.516197 5.471064 39 H 9.091410 7.418614 11.590424 11.292147 6.819367 40 H 7.877891 6.566191 10.413905 9.816566 5.856637 41 C 8.881938 7.181869 11.564218 10.962846 6.861277 42 H 8.256568 6.641565 10.980902 10.249267 6.422290 43 H 9.432037 7.493034 12.112925 11.683183 7.319140 44 H 9.668079 8.132477 12.343012 11.555925 7.739177 21 22 23 24 25 21 C 0.000000 22 C 1.388372 0.000000 23 C 2.353575 1.381296 0.000000 24 C 2.739419 2.421265 1.381802 0.000000 25 H 2.095875 3.361633 3.798632 3.355932 0.000000 26 H 1.078514 2.137069 3.339702 3.817621 2.384054 27 C 2.526139 1.513369 2.540288 3.819665 4.622002 28 H 3.343521 2.135267 1.078372 2.110512 4.876790 29 H 3.805797 3.364836 2.104606 1.067343 4.268333 30 C 3.210832 2.568447 3.609983 4.793187 5.160013 31 C 3.883706 3.144029 3.741570 4.807445 5.642731 32 H 2.788806 2.131069 3.246927 4.431490 4.790380 33 H 3.396374 2.128404 2.618144 3.996372 5.459121 34 H 2.971788 2.829510 4.050543 5.051459 4.692550 35 H 4.151372 3.470456 4.487056 5.748292 6.122343 36 C 5.068349 4.560973 5.219350 6.186422 6.628524 37 H 3.414292 2.815006 3.221243 4.065231 4.949279 38 H 4.476067 3.456030 3.755247 4.905135 6.319627 39 H 5.711123 5.124420 5.861681 6.953868 7.402332 40 H 4.921907 4.714494 5.533827 6.388546 6.272132 41 C 6.078844 5.529212 5.889956 6.700772 7.460424 42 H 5.834957 5.399347 5.626583 6.239441 6.988484 43 H 6.521068 5.764445 5.952378 6.822332 8.027870 44 H 6.956376 6.502059 6.937135 7.728330 8.255321 26 27 28 29 30 26 H 0.000000 27 C 2.722963 0.000000 28 H 4.250290 2.757382 0.000000 29 H 4.884204 4.644752 2.381531 0.000000 30 C 3.102978 1.531527 3.820840 5.627518 0.000000 31 C 4.032316 2.564605 3.785666 5.476371 1.525736 32 H 2.712504 1.085210 3.525633 5.295149 2.146294 33 H 3.754765 1.084916 2.390527 4.625801 2.144017 34 H 2.554427 2.157732 4.500055 5.988401 1.086445 35 H 3.919893 2.130809 4.547602 6.546964 1.086521 36 C 5.011319 3.925615 5.286156 6.848045 2.546319 37 H 3.745348 2.804386 3.423245 4.719441 2.150963 38 H 4.778109 2.778486 3.486154 5.412612 2.146812 39 H 5.554275 4.197022 5.834890 7.623025 2.769237 40 H 4.693734 4.212355 5.796663 7.147087 2.770265 41 C 6.183412 5.110174 5.843968 7.190905 3.909492 42 H 6.040380 5.283473 5.669923 6.681664 4.235528 43 H 6.737781 5.271725 5.709306 7.192882 4.235552 44 H 6.954783 6.025124 6.919818 8.236180 4.707218 31 32 33 34 35 31 C 0.000000 32 H 3.481736 0.000000 33 H 2.795428 1.728030 0.000000 34 H 2.150566 2.489893 3.043183 0.000000 35 H 2.148759 2.395881 2.456613 1.731222 0.000000 36 C 1.527773 4.687420 4.204586 2.772966 2.768321 37 H 1.085542 3.805079 3.138397 2.509276 3.045463 38 H 1.088063 3.737337 2.568868 3.044675 2.499787 39 H 2.151600 4.807716 4.373982 3.083043 2.547050 40 H 2.149096 4.858447 4.729350 2.553236 3.082026 41 C 2.545792 5.996430 5.230851 4.196697 4.191112 42 H 2.813902 6.236231 5.472676 4.427304 4.751392 43 H 2.816110 6.197171 5.166142 4.756384 4.420779 44 H 3.487108 6.840720 6.190235 4.865299 4.859842 36 37 38 39 40 36 C 0.000000 37 H 2.149194 0.000000 38 H 2.148720 1.732764 0.000000 39 H 1.086531 3.045203 2.503695 0.000000 40 H 1.086580 2.503569 3.044019 1.732196 0.000000 41 C 1.524981 2.766396 2.767856 2.146892 2.146156 42 H 2.171161 2.595609 3.127026 3.058121 2.513652 43 H 2.171466 3.125867 2.598487 2.515189 3.057869 44 H 2.166731 3.761804 3.762948 2.480586 2.480295 41 42 43 44 41 C 0.000000 42 H 1.084998 0.000000 43 H 1.085103 1.748662 0.000000 44 H 1.083730 1.749835 1.749409 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.327414 -1.637896 0.475230 2 6 0 -4.906344 -2.055529 -0.859877 3 8 0 -3.459468 -2.596006 1.002191 4 8 0 -1.560430 3.038658 0.060982 5 6 0 -2.043088 1.952362 0.106926 6 7 0 -3.380833 1.868614 0.485582 7 6 0 -4.195328 0.780344 0.627605 8 8 0 -5.341081 0.858190 0.942792 9 7 0 -3.550519 -0.396455 0.356597 10 6 0 -2.232475 -0.423491 -0.031469 11 6 0 -1.424957 0.634618 -0.181823 12 1 0 -5.110226 -1.407851 1.176553 13 1 0 -5.558845 -1.283998 -1.244205 14 1 0 -5.491744 -2.960255 -0.740101 15 1 0 -3.819344 2.746774 0.680108 16 1 0 -1.898804 -1.425348 -0.193259 17 6 0 0.000299 0.458780 -0.604050 18 1 0 -4.122219 -2.250086 -1.580639 19 1 0 -3.924404 -3.399128 1.165087 20 6 0 0.518931 -0.824350 -0.767575 21 6 0 1.819738 -1.045102 -1.160175 22 6 0 2.691688 0.005085 -1.413924 23 6 0 2.180844 1.278647 -1.255629 24 6 0 0.876184 1.509496 -0.863268 25 1 0 -0.089616 -1.692620 -0.587654 26 1 0 2.162313 -2.060927 -1.278217 27 6 0 4.116787 -0.254024 -1.852375 28 1 0 2.806769 2.137083 -1.440535 29 1 0 0.556152 2.522889 -0.764097 30 6 0 5.007770 -0.919612 -0.799419 31 6 0 5.216056 -0.081302 0.458247 32 1 0 4.106525 -0.868705 -2.746659 33 1 0 4.568799 0.686042 -2.150711 34 1 0 4.598457 -1.889096 -0.529370 35 1 0 5.969075 -1.126128 -1.261772 36 6 0 6.138717 -0.750353 1.475674 37 1 0 4.257457 0.129140 0.922149 38 1 0 5.628259 0.886707 0.180890 39 1 0 7.099990 -0.959333 1.014337 40 1 0 5.729181 -1.717718 1.753415 41 6 0 6.350017 0.089090 2.731165 42 1 0 5.412426 0.283193 3.241524 43 1 0 6.796128 1.049983 2.496394 44 1 0 7.006418 -0.413046 3.432213 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5172283 0.1073675 0.1017493 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.5470620188 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.45D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999089 0.042248 -0.000794 -0.005913 Ang= 4.89 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.108921974 A.U. after 14 cycles NFock= 14 Conv=0.54D-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 -0.004946641 0.002128283 -0.005275082 2 6 0.002008617 -0.000888596 0.001907790 3 8 -0.006506334 0.003746940 -0.001309287 4 8 -0.014874604 0.002450146 -0.000664449 5 6 0.011640817 -0.008472091 0.004986021 6 7 0.005890795 0.003907154 -0.003146063 7 6 -0.019543426 -0.001906080 0.002420453 8 8 0.011467889 0.003527551 -0.002919922 9 7 0.004477540 -0.004190087 0.001211912 10 6 0.005920007 -0.003645432 0.003232301 11 6 -0.001031148 0.005612656 -0.003807661 12 1 0.002356499 -0.000413982 0.000835519 13 1 0.000358954 0.001428728 -0.000244400 14 1 0.001203348 -0.000633893 0.001229535 15 1 -0.001556328 -0.001436309 0.001176214 16 1 -0.001490773 0.002357263 -0.001228446 17 6 -0.000200004 0.001221362 -0.000793821 18 1 -0.001382664 -0.000237432 0.000446694 19 1 0.005020747 -0.002925105 0.001990143 20 6 0.002071241 -0.006215348 0.003224817 21 6 -0.000157847 -0.003821681 0.003312296 22 6 0.000227382 -0.001116115 0.001071503 23 6 -0.007716857 0.002649107 -0.001463773 24 6 0.007405893 0.003765442 -0.002895462 25 1 -0.003119103 0.000219816 -0.000584911 26 1 0.000735921 0.000931653 -0.000805129 27 6 -0.000608042 0.004489126 -0.000234926 28 1 0.000265825 -0.001467680 0.001041231 29 1 0.003036144 0.002149871 -0.001944201 30 6 -0.000290695 -0.001445381 0.001355439 31 6 -0.000430910 0.000518517 -0.001104027 32 1 0.000957269 -0.001292976 0.001585504 33 1 -0.000803300 0.000829015 -0.000930241 34 1 0.001588713 -0.000220914 -0.000412595 35 1 -0.001584702 -0.000353645 -0.000383073 36 6 0.000220129 -0.000312519 0.000504114 37 1 0.001106692 -0.000734329 -0.000103978 38 1 -0.001290043 0.000282003 0.000184052 39 1 -0.001483729 0.000536780 0.000280181 40 1 0.001461724 -0.000430483 -0.000097627 41 6 -0.000266603 -0.000198392 -0.001738634 42 1 0.001196214 0.000194020 0.000207434 43 1 -0.000842543 0.000847154 0.000430781 44 1 -0.000492066 -0.001434116 -0.000546225 ------------------------------------------------------------------- Cartesian Forces: Max 0.019543426 RMS 0.003608216 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.019121858 RMS 0.003164661 Search for a local minimum. Step number 4 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 3 4 DE= -2.23D-03 DEPred=-6.77D-03 R= 3.30D-01 Trust test= 3.30D-01 RLast= 2.12D-01 DXMaxT set to 8.49D-01 ITU= 0 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00230 0.00230 0.00289 0.00300 Eigenvalues --- 0.00537 0.00610 0.01369 0.01394 0.01470 Eigenvalues --- 0.01505 0.01533 0.01608 0.01836 0.01872 Eigenvalues --- 0.01891 0.01942 0.02056 0.02075 0.02113 Eigenvalues --- 0.02176 0.02248 0.02440 0.02464 0.02466 Eigenvalues --- 0.02565 0.02592 0.03261 0.03386 0.03409 Eigenvalues --- 0.03765 0.04663 0.04714 0.04745 0.05118 Eigenvalues --- 0.05274 0.05390 0.05414 0.05435 0.05471 Eigenvalues --- 0.05629 0.08379 0.08394 0.08541 0.08683 Eigenvalues --- 0.09735 0.12248 0.12256 0.12378 0.13110 Eigenvalues --- 0.15529 0.15999 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16050 0.16158 0.16364 0.17866 0.20169 Eigenvalues --- 0.21369 0.21881 0.21937 0.21974 0.22023 Eigenvalues --- 0.22490 0.22950 0.23827 0.23991 0.24806 Eigenvalues --- 0.24997 0.24999 0.24999 0.25459 0.26124 Eigenvalues --- 0.27517 0.28240 0.28430 0.28909 0.29186 Eigenvalues --- 0.30758 0.30942 0.31301 0.32917 0.33535 Eigenvalues --- 0.33558 0.33662 0.33683 0.33695 0.33713 Eigenvalues --- 0.33724 0.33733 0.33745 0.33753 0.33763 Eigenvalues --- 0.33783 0.33795 0.33862 0.34067 0.35152 Eigenvalues --- 0.35381 0.37832 0.38200 0.38615 0.38893 Eigenvalues --- 0.39302 0.42863 0.43789 0.46632 0.49421 Eigenvalues --- 0.50726 0.51459 0.52212 0.54239 0.55022 Eigenvalues --- 0.56114 0.56861 0.59349 0.80636 0.88610 Eigenvalues --- 0.92267 RFO step: Lambda=-2.52135226D-03 EMin= 2.29576859D-03 Quartic linear search produced a step of -0.41034. Iteration 1 RMS(Cart)= 0.18964821 RMS(Int)= 0.00613166 Iteration 2 RMS(Cart)= 0.01737777 RMS(Int)= 0.00005924 Iteration 3 RMS(Cart)= 0.00013395 RMS(Int)= 0.00004031 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00004031 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86098 0.00351 0.00382 0.00961 0.01343 2.87441 R2 2.63818 -0.00030 0.00222 0.00015 0.00237 2.64055 R3 2.77656 -0.00278 -0.00432 -0.00792 -0.01224 2.76432 R4 2.03316 0.00121 -0.00181 0.00415 0.00234 2.03550 R5 2.04294 0.00148 -0.00098 0.00437 0.00339 2.04633 R6 2.04891 0.00169 -0.00108 0.00442 0.00334 2.05225 R7 2.04597 0.00137 -0.00090 0.00409 0.00318 2.04915 R8 1.78046 0.00606 -0.00443 0.01407 0.00965 1.79011 R9 2.24799 0.01130 0.00243 0.00952 0.01195 2.25994 R10 2.63205 -0.00073 -0.00525 -0.00530 -0.01054 2.62151 R11 2.80413 -0.00826 -0.01141 0.00274 -0.00867 2.79546 R12 2.58271 -0.00196 -0.00028 -0.00335 -0.00363 2.57908 R13 1.89095 -0.00215 0.00026 -0.00373 -0.00347 1.88748 R14 2.25040 0.01234 0.00074 0.01273 0.01347 2.26388 R15 2.58698 0.00407 -0.00329 0.00382 0.00053 2.58751 R16 2.59696 0.00043 0.00418 0.00182 0.00600 2.60295 R17 2.53131 0.00275 0.00109 0.00144 0.00253 2.53383 R18 2.01876 -0.00251 -0.00257 -0.00182 -0.00439 2.01437 R19 2.82863 -0.00101 -0.00485 0.01110 0.00625 2.83489 R20 2.63354 0.00721 0.00883 0.01713 0.02597 2.65950 R21 2.63098 -0.00127 -0.01176 0.00141 -0.01035 2.62063 R22 2.60135 0.00274 -0.00738 0.00059 -0.00679 2.59456 R23 2.03231 -0.00274 -0.00150 -0.00282 -0.00432 2.02799 R24 2.62364 0.00476 0.00875 0.01064 0.01940 2.64304 R25 2.03810 -0.00127 -0.00004 -0.00306 -0.00310 2.03500 R26 2.61027 0.00310 -0.00757 0.00041 -0.00716 2.60311 R27 2.85985 0.00070 0.00151 0.00159 0.00310 2.86295 R28 2.61123 0.00579 0.00586 0.01870 0.02456 2.63579 R29 2.03783 -0.00129 -0.00032 -0.00283 -0.00315 2.03467 R30 2.01699 0.00300 0.00417 -0.00365 0.00052 2.01750 R31 2.89417 0.00328 0.00335 0.00949 0.01284 2.90700 R32 2.05075 0.00167 -0.00040 0.00430 0.00390 2.05465 R33 2.05019 0.00133 -0.00223 0.00394 0.00171 2.05190 R34 2.88322 0.00205 0.00255 0.00582 0.00836 2.89159 R35 2.05308 0.00108 -0.00176 0.00317 0.00141 2.05449 R36 2.05323 0.00130 -0.00127 0.00358 0.00231 2.05554 R37 2.88707 0.00112 0.00260 0.00307 0.00568 2.89275 R38 2.05138 0.00081 -0.00159 0.00247 0.00088 2.05226 R39 2.05614 0.00099 -0.00134 0.00279 0.00145 2.05759 R40 2.05325 0.00127 -0.00124 0.00348 0.00224 2.05548 R41 2.05334 0.00123 -0.00128 0.00338 0.00210 2.05543 R42 2.88180 0.00167 0.00292 0.00435 0.00728 2.88908 R43 2.05035 0.00098 -0.00121 0.00302 0.00181 2.05216 R44 2.05055 0.00103 -0.00124 0.00314 0.00191 2.05245 R45 2.04795 0.00161 -0.00088 0.00441 0.00353 2.05149 A1 1.96199 -0.00063 -0.00174 -0.00863 -0.01040 1.95158 A2 1.94343 0.00139 0.00371 0.00501 0.00870 1.95212 A3 1.93435 -0.00132 -0.00399 -0.00832 -0.01248 1.92187 A4 1.85627 -0.00138 0.00024 -0.00626 -0.00598 1.85029 A5 1.93162 0.00084 -0.00183 -0.00020 -0.00214 1.92947 A6 1.83039 0.00126 0.00416 0.02059 0.02477 1.85516 A7 1.92563 -0.00034 -0.00013 -0.00232 -0.00247 1.92317 A8 1.91689 0.00126 0.00126 0.00656 0.00783 1.92472 A9 1.93874 -0.00096 -0.00179 -0.00566 -0.00745 1.93129 A10 1.88484 -0.00022 0.00061 0.00187 0.00248 1.88732 A11 1.90573 0.00039 -0.00041 -0.00082 -0.00127 1.90447 A12 1.89086 -0.00011 0.00052 0.00060 0.00114 1.89200 A13 1.92140 -0.00177 -0.00327 -0.00858 -0.01185 1.90956 A14 2.04328 0.00963 0.01758 -0.00013 0.01740 2.06068 A15 2.25803 -0.01284 -0.01936 -0.01109 -0.03049 2.22754 A16 1.98187 0.00321 0.00177 0.01125 0.01300 1.99488 A17 2.27643 -0.00483 -0.00258 -0.01631 -0.01888 2.25755 A18 2.00532 0.00135 0.00304 0.00598 0.00901 2.01433 A19 2.00142 0.00347 -0.00045 0.01034 0.00988 2.01129 A20 2.15176 -0.00253 -0.00218 -0.00995 -0.01217 2.13959 A21 1.96407 0.00402 0.00306 0.01363 0.01667 1.98074 A22 2.16731 -0.00149 -0.00092 -0.00378 -0.00473 2.16258 A23 2.05023 0.00352 0.00147 0.00988 0.01129 2.06152 A24 2.10983 -0.00163 -0.00003 -0.00658 -0.00667 2.10316 A25 2.12300 -0.00190 -0.00139 -0.00308 -0.00451 2.11849 A26 2.20725 -0.00413 -0.00588 -0.00548 -0.01136 2.19589 A27 1.93991 0.00377 -0.00094 0.01597 0.01502 1.95493 A28 2.13591 0.00036 0.00684 -0.01039 -0.00357 2.13234 A29 2.01365 0.00363 0.00505 0.00014 0.00517 2.01881 A30 2.16018 -0.01909 -0.03295 0.00816 -0.02483 2.13535 A31 2.10933 0.01546 0.02791 -0.00821 0.01966 2.12899 A32 2.08933 0.01618 0.01929 -0.00126 0.01800 2.10733 A33 2.16867 -0.01912 -0.02387 -0.00067 -0.02457 2.14410 A34 2.02516 0.00294 0.00458 0.00202 0.00657 2.03172 A35 2.13268 -0.00261 -0.00480 -0.00087 -0.00566 2.12702 A36 2.10963 0.00283 0.00271 -0.00029 0.00242 2.11205 A37 2.04087 -0.00023 0.00209 0.00116 0.00324 2.04411 A38 2.12268 -0.00043 0.00027 -0.00205 -0.00178 2.12090 A39 2.07420 -0.00046 0.00282 -0.00057 0.00224 2.07644 A40 2.08628 0.00089 -0.00308 0.00264 -0.00045 2.08584 A41 2.03109 0.00210 0.00175 0.00582 0.00757 2.03866 A42 2.11163 0.00075 -0.00367 0.00144 -0.00223 2.10940 A43 2.14043 -0.00285 0.00191 -0.00727 -0.00536 2.13506 A44 2.13620 -0.00186 -0.00185 -0.00342 -0.00528 2.13092 A45 2.09399 -0.00037 0.00281 -0.00401 -0.00120 2.09279 A46 2.05299 0.00223 -0.00097 0.00744 0.00648 2.05947 A47 2.11856 -0.00015 0.00005 -0.00148 -0.00145 2.11711 A48 2.10669 -0.00288 -0.00361 -0.00332 -0.00693 2.09976 A49 2.05794 0.00303 0.00357 0.00480 0.00837 2.06631 A50 2.00760 -0.00033 -0.00035 -0.00437 -0.00478 2.00283 A51 1.90373 -0.00025 -0.00220 -0.00603 -0.00832 1.89541 A52 1.90038 0.00038 0.00014 0.00356 0.00371 1.90409 A53 1.90276 -0.00024 -0.00249 -0.00597 -0.00854 1.89422 A54 1.89995 -0.00009 -0.00087 0.00113 0.00027 1.90023 A55 1.84224 0.00062 0.00638 0.01335 0.01976 1.86200 A56 1.99036 0.00115 0.00167 0.00073 0.00240 1.99276 A57 1.91720 -0.00068 -0.00212 -0.00353 -0.00566 1.91154 A58 1.88048 0.00034 -0.00042 0.00391 0.00349 1.88397 A59 1.91435 -0.00036 -0.00133 -0.00328 -0.00462 1.90973 A60 1.91179 -0.00113 -0.00261 -0.00717 -0.00978 1.90201 A61 1.84366 0.00065 0.00511 0.01020 0.01531 1.85897 A62 1.97227 0.00073 0.00001 -0.00190 -0.00191 1.97036 A63 1.91583 -0.00024 -0.00087 -0.00134 -0.00223 1.91360 A64 1.90754 -0.00031 -0.00176 -0.00208 -0.00386 1.90368 A65 1.91092 -0.00048 -0.00154 -0.00333 -0.00488 1.90605 A66 1.90771 -0.00033 -0.00129 -0.00255 -0.00385 1.90386 A67 1.84523 0.00062 0.00582 0.01214 0.01797 1.86320 A68 1.91322 -0.00041 -0.00134 -0.00317 -0.00452 1.90870 A69 1.90973 -0.00033 -0.00149 -0.00237 -0.00387 1.90586 A70 1.97239 0.00063 -0.00017 -0.00192 -0.00211 1.97028 A71 1.84497 0.00059 0.00551 0.01171 0.01722 1.86219 A72 1.91012 -0.00024 -0.00124 -0.00188 -0.00314 1.90699 A73 1.90906 -0.00026 -0.00090 -0.00145 -0.00236 1.90670 A74 1.94550 -0.00089 -0.00113 -0.00497 -0.00611 1.93939 A75 1.94582 -0.00089 -0.00124 -0.00503 -0.00628 1.93954 A76 1.94061 0.00035 0.00138 0.00168 0.00307 1.94368 A77 1.87404 0.00083 0.00091 0.00334 0.00423 1.87827 A78 1.87760 0.00035 0.00006 0.00273 0.00280 1.88039 A79 1.87680 0.00036 0.00008 0.00281 0.00290 1.87970 D1 -3.12498 0.00049 -0.00147 0.00331 0.00188 -3.12310 D2 1.08241 0.00019 -0.00293 -0.00165 -0.00454 1.07787 D3 -1.00906 0.00011 -0.00327 -0.00307 -0.00627 -1.01533 D4 -1.04405 -0.00074 0.00022 -0.00708 -0.00684 -1.05090 D5 -3.11985 -0.00105 -0.00124 -0.01204 -0.01326 -3.13311 D6 1.07187 -0.00112 -0.00157 -0.01345 -0.01500 1.05687 D7 0.98635 0.00085 0.00516 0.01633 0.02142 1.00776 D8 -1.08945 0.00055 0.00370 0.01137 0.01500 -1.07445 D9 3.10227 0.00047 0.00337 0.00995 0.01326 3.11553 D10 -1.08897 0.00067 0.00371 0.00452 0.00827 -1.08069 D11 3.06308 0.00026 0.00000 0.00773 0.00772 3.07080 D12 1.08440 -0.00088 -0.00412 -0.01294 -0.01708 1.06732 D13 1.64791 0.00001 0.00284 0.00871 0.01163 1.65954 D14 -1.47736 0.00027 -0.00380 -0.00655 -0.01027 -1.48764 D15 -2.49241 -0.00083 0.00310 -0.00299 0.00011 -2.49230 D16 0.66551 -0.00058 -0.00353 -0.01825 -0.02179 0.64371 D17 -0.44516 0.00010 0.00308 0.00358 0.00658 -0.43858 D18 2.71276 0.00035 -0.00355 -0.01168 -0.01532 2.69744 D19 -3.14110 -0.00019 -0.00199 -0.00984 -0.01197 3.13011 D20 0.00776 -0.00011 -0.00318 -0.01103 -0.01434 -0.00658 D21 -0.00139 -0.00004 0.00120 0.00231 0.00352 0.00212 D22 -3.13572 0.00004 0.00001 0.00113 0.00116 -3.13457 D23 3.13443 0.00034 0.00412 0.01956 0.02350 -3.12525 D24 0.00047 0.00002 0.00156 0.00586 0.00736 0.00782 D25 -0.00498 0.00013 0.00061 0.00554 0.00617 0.00119 D26 -3.13895 -0.00019 -0.00196 -0.00817 -0.00997 3.13426 D27 -3.12053 0.00011 -0.00020 0.00194 0.00171 -3.11883 D28 0.01165 -0.00005 -0.00298 -0.01018 -0.01322 -0.00157 D29 0.01381 0.00003 0.00100 0.00311 0.00406 0.01787 D30 -3.13719 -0.00014 -0.00179 -0.00901 -0.01086 3.13513 D31 -3.14085 0.00032 -0.00367 -0.00506 -0.00871 3.13363 D32 -0.01571 0.00006 0.00302 0.01028 0.01338 -0.00233 D33 -0.00876 0.00014 -0.00649 -0.01734 -0.02390 -0.03266 D34 3.11638 -0.00011 0.00019 -0.00200 -0.00182 3.11456 D35 3.13564 -0.00023 0.00527 0.01250 0.01771 -3.12983 D36 -0.02264 -0.00008 0.00726 0.01942 0.02668 0.00404 D37 0.01106 -0.00001 -0.00164 -0.00352 -0.00506 0.00600 D38 3.13597 0.00014 0.00035 0.00341 0.00390 3.13987 D39 0.00044 -0.00013 -0.00037 -0.00517 -0.00557 -0.00513 D40 3.13465 0.00001 0.00206 0.00818 0.01030 -3.13824 D41 -3.12273 -0.00032 -0.00250 -0.01305 -0.01554 -3.13826 D42 0.01148 -0.00017 -0.00007 0.00030 0.00033 0.01182 D43 3.06722 -0.00075 0.01562 0.09159 0.10719 -3.10877 D44 -0.08198 -0.00049 0.01815 0.10535 0.12345 0.04147 D45 -0.06634 -0.00103 0.01294 0.07712 0.09011 0.02377 D46 3.06764 -0.00077 0.01547 0.09088 0.10637 -3.10918 D47 3.13603 -0.00008 0.00188 0.00726 0.00927 -3.13788 D48 -0.00757 -0.00027 0.00237 0.00464 0.00711 -0.00046 D49 0.00144 -0.00022 -0.00042 -0.00539 -0.00584 -0.00440 D50 3.14102 -0.00041 0.00007 -0.00801 -0.00800 3.13302 D51 -3.13684 -0.00007 -0.00139 -0.00455 -0.00584 3.14050 D52 0.00433 -0.00006 -0.00108 -0.00464 -0.00563 -0.00130 D53 -0.00261 0.00024 0.00107 0.00874 0.00981 0.00721 D54 3.13857 0.00025 0.00138 0.00865 0.01003 -3.13459 D55 0.00195 0.00009 0.00005 0.00131 0.00137 0.00331 D56 -3.13243 -0.00006 -0.00011 -0.00211 -0.00223 -3.13466 D57 -3.13771 0.00027 -0.00042 0.00384 0.00345 -3.13426 D58 0.01110 0.00012 -0.00058 0.00041 -0.00015 0.01095 D59 -0.00403 0.00003 -0.00031 -0.00032 -0.00066 -0.00470 D60 -3.13554 -0.00009 0.00061 0.00059 0.00119 -3.13435 D61 3.13029 0.00017 -0.00013 0.00311 0.00297 3.13326 D62 -0.00121 0.00005 0.00079 0.00403 0.00482 0.00361 D63 0.00287 -0.00000 0.00097 0.00377 0.00472 0.00760 D64 -3.13822 -0.00007 0.00043 0.00138 0.00184 -3.13638 D65 3.13420 0.00014 -0.00001 0.00289 0.00286 3.13706 D66 -0.00690 0.00007 -0.00055 0.00050 -0.00003 -0.00692 D67 -1.16474 0.00006 0.01070 0.07036 0.08105 -1.08369 D68 0.97891 -0.00068 0.00551 0.05470 0.06024 1.03915 D69 2.98109 0.00012 0.01198 0.06922 0.08120 3.06229 D70 1.98759 -0.00010 0.01169 0.07126 0.08293 2.07052 D71 -2.15195 -0.00084 0.00650 0.05560 0.06212 -2.08983 D72 -0.14977 -0.00004 0.01296 0.07011 0.08308 -0.06669 D73 0.00045 -0.00014 -0.00140 -0.00831 -0.00969 -0.00924 D74 -3.14073 -0.00014 -0.00171 -0.00823 -0.00990 3.13256 D75 3.14156 -0.00007 -0.00088 -0.00598 -0.00686 3.13470 D76 0.00037 -0.00008 -0.00120 -0.00590 -0.00707 -0.00669 D77 -1.09822 -0.00056 0.00536 0.07805 0.08342 -1.01480 D78 1.05868 -0.00072 0.00319 0.07152 0.07473 1.13341 D79 3.05887 -0.00012 0.00790 0.08388 0.09180 -3.13251 D80 3.04080 0.00020 0.01039 0.09373 0.10410 -3.13828 D81 -1.08548 0.00003 0.00822 0.08721 0.09541 -0.99007 D82 0.91471 0.00064 0.01294 0.09957 0.11248 1.02719 D83 1.03936 -0.00036 0.00463 0.08050 0.08513 1.12449 D84 -3.08692 -0.00053 0.00246 0.07397 0.07644 -3.01048 D85 -1.08673 0.00008 0.00717 0.08633 0.09351 -0.99322 D86 -3.11399 -0.00027 -0.00100 -0.00917 -0.01017 -3.12417 D87 1.03069 0.00002 0.00160 -0.00256 -0.00096 1.02973 D88 -0.98563 -0.00042 -0.00390 -0.01521 -0.01911 -1.00475 D89 1.01075 0.00006 0.00160 -0.00251 -0.00092 1.00983 D90 -1.12776 0.00035 0.00420 0.00409 0.00829 -1.11947 D91 3.13910 -0.00009 -0.00130 -0.00856 -0.00986 3.12925 D92 -1.00526 0.00012 -0.00232 -0.00887 -0.01120 -1.01646 D93 3.13942 0.00041 0.00028 -0.00227 -0.00199 3.13743 D94 1.12310 -0.00003 -0.00522 -0.01492 -0.02014 1.10296 D95 1.00323 0.00016 0.00237 0.00700 0.00935 1.01258 D96 -1.01255 -0.00014 -0.00265 -0.00395 -0.00660 -1.01915 D97 3.13888 -0.00000 -0.00031 0.00094 0.00063 3.13951 D98 -3.13872 0.00000 0.00014 0.00151 0.00165 -3.13706 D99 1.12869 -0.00030 -0.00488 -0.00943 -0.01430 1.11439 D100 -1.00307 -0.00017 -0.00254 -0.00454 -0.00707 -1.01014 D101 -1.12504 0.00030 0.00553 0.01278 0.01830 -1.10674 D102 -3.14082 -0.00000 0.00051 0.00183 0.00235 -3.13847 D103 1.01062 0.00013 0.00285 0.00672 0.00957 1.02019 D104 1.04484 -0.00005 -0.00011 0.00039 0.00029 1.04514 D105 -1.04917 0.00011 0.00034 0.00296 0.00329 -1.04588 D106 3.13983 0.00002 0.00014 0.00164 0.00178 -3.14157 D107 -3.10096 -0.00031 -0.00284 -0.00637 -0.00920 -3.11016 D108 1.08821 -0.00015 -0.00239 -0.00381 -0.00621 1.08201 D109 -1.00598 -0.00024 -0.00259 -0.00512 -0.00771 -1.01369 D110 -1.08729 0.00012 0.00256 0.00580 0.00836 -1.07892 D111 3.10189 0.00029 0.00301 0.00836 0.01136 3.11325 D112 1.00770 0.00020 0.00281 0.00704 0.00985 1.01755 Item Value Threshold Converged? Maximum Force 0.019122 0.000450 NO RMS Force 0.003165 0.000300 NO Maximum Displacement 0.746551 0.001800 NO RMS Displacement 0.201028 0.001200 NO Predicted change in Energy=-9.790512D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.785971 -5.238823 1.814223 2 6 0 7.239664 -4.933818 3.233657 3 8 0 6.290973 -6.540127 1.695559 4 8 0 2.812498 -1.895746 0.168803 5 6 0 3.600114 -2.700633 0.571317 6 7 0 4.946212 -2.479200 0.319460 7 6 0 6.028428 -3.229725 0.677482 8 8 0 7.151971 -2.909449 0.412416 9 7 0 5.701985 -4.354233 1.387245 10 6 0 4.392653 -4.656452 1.689918 11 6 0 3.319546 -3.931545 1.342326 12 1 0 7.596825 -5.078271 1.123592 13 1 0 7.600301 -3.914919 3.299934 14 1 0 8.049172 -5.598289 3.521029 15 1 0 5.155118 -1.648893 -0.194905 16 1 0 4.309799 -5.563410 2.243838 17 6 0 1.927254 -4.340470 1.722821 18 1 0 6.422243 -5.067458 3.933524 19 1 0 6.978388 -7.158438 1.901722 20 6 0 1.702021 -5.498115 2.490777 21 6 0 0.437597 -5.896134 2.848406 22 6 0 -0.693975 -5.170299 2.462545 23 6 0 -0.478010 -4.035388 1.712308 24 6 0 0.802324 -3.624865 1.341259 25 1 0 2.519154 -6.111403 2.819194 26 1 0 0.319516 -6.786502 3.442508 27 6 0 -2.081776 -5.618007 2.873425 28 1 0 -1.313481 -3.436305 1.392341 29 1 0 0.900877 -2.740058 0.752017 30 6 0 -2.498605 -6.998101 2.336752 31 6 0 -2.469558 -7.112129 0.811121 32 1 0 -2.131746 -5.640013 3.959326 33 1 0 -2.805721 -4.879302 2.542938 34 1 0 -1.859390 -7.764122 2.768724 35 1 0 -3.507525 -7.203366 2.687658 36 6 0 -2.912450 -8.488457 0.308286 37 1 0 -1.467043 -6.904886 0.448593 38 1 0 -3.121036 -6.350868 0.384963 39 1 0 -3.918270 -8.696615 0.666224 40 1 0 -2.264756 -9.250747 0.735454 41 6 0 -2.886171 -8.601332 -1.216149 42 1 0 -1.886462 -8.429742 -1.604021 43 1 0 -3.546390 -7.870647 -1.674239 44 1 0 -3.204236 -9.585697 -1.545371 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521072 0.000000 3 O 1.397318 2.417848 0.000000 4 O 5.447205 6.182476 6.000087 0.000000 5 C 4.258745 5.032047 4.821448 1.195909 0.000000 6 N 3.637931 4.447203 4.493680 2.217171 1.387243 7 C 2.429511 3.302281 3.473352 3.518587 2.487552 8 O 2.743173 3.473495 3.945833 4.462954 3.561536 9 N 1.462817 2.471763 2.284753 3.984707 2.796068 10 C 2.466288 3.250467 2.674300 3.525929 2.388433 11 C 3.734671 4.466432 3.969743 2.403898 1.479296 12 H 1.077141 2.144949 2.041916 5.824935 4.683148 13 H 2.150160 1.082870 3.343661 6.066637 4.992127 14 H 2.153620 1.086005 2.703823 7.236642 6.073823 15 H 4.425367 5.185663 5.365463 2.383503 2.027631 16 H 2.534039 3.155984 2.275881 4.472073 3.390645 17 C 4.941914 5.554852 4.886847 3.029076 2.610265 18 H 2.157104 1.084366 2.682251 6.104354 4.987054 19 H 1.931218 2.606003 0.947286 6.932068 5.749325 20 C 5.135320 5.615674 4.772488 4.427390 3.887543 21 C 6.465558 6.880595 6.000483 5.368755 5.039631 22 C 7.508303 7.974533 7.159204 5.317829 5.302377 23 C 7.363699 7.917334 7.217558 4.217573 4.440105 24 C 6.215511 6.836217 6.224913 2.899190 3.045430 25 H 4.469574 4.882797 3.958912 4.988225 4.225492 26 H 6.845558 7.166903 6.226623 6.391526 5.974981 27 C 8.938827 9.353455 8.505328 6.717449 6.789304 28 H 8.308319 8.876332 8.219086 4.571003 5.035743 29 H 6.481238 7.152017 6.662127 2.169631 2.705566 30 C 9.464219 9.994978 8.824825 7.677359 7.666770 31 C 9.496331 10.241226 8.823623 7.451399 7.507311 32 H 9.180855 9.425956 8.767956 7.268641 7.278240 33 H 9.626050 10.069252 9.285809 6.789883 7.047596 34 H 9.057068 9.540418 8.311334 7.938764 7.763615 35 H 10.515626 10.997774 9.870903 8.628914 8.675946 36 C 10.338634 11.147138 9.509128 8.732602 8.716742 37 H 8.529534 9.351387 7.866053 6.594258 6.585354 38 H 10.071158 10.838229 9.504704 7.423050 7.650673 39 H 11.307298 12.051964 10.485162 9.581361 9.617011 40 H 9.958661 10.733634 9.026060 8.955202 8.793613 41 C 10.678949 11.652638 9.846145 8.908300 8.949032 42 H 9.852789 10.904623 9.018222 8.241131 8.225406 43 H 11.218446 12.208659 10.483298 8.918055 9.101872 44 H 11.401159 12.391696 10.485138 9.913366 9.908766 6 7 8 9 10 6 N 0.000000 7 C 1.364792 0.000000 8 O 2.249250 1.197993 0.000000 9 N 2.286286 1.369250 2.267190 0.000000 10 C 2.631540 2.395064 3.506831 1.377424 0.000000 11 C 2.408651 2.876214 4.073929 2.420062 1.340847 12 H 3.798361 2.464956 2.325394 2.045522 3.281063 13 H 4.241308 3.133293 3.090264 2.730380 3.664836 14 H 5.441242 4.216546 4.206936 3.407344 4.196445 15 H 0.998811 2.005682 2.438291 3.181372 3.630333 16 H 3.690610 3.294425 4.298320 2.033235 1.065958 17 C 3.814164 4.375626 5.573387 3.789643 2.485783 18 H 4.683930 3.759542 4.193770 2.740620 3.053183 19 H 5.341213 4.223266 4.505782 3.123692 3.604278 20 C 4.934900 5.210703 6.381437 4.304180 2.930747 21 C 6.196661 6.563538 7.741909 5.676816 4.303647 22 C 6.606552 7.221009 8.418631 6.536861 5.170569 23 C 5.812395 6.637295 7.821386 6.196747 4.910152 24 C 4.419098 5.282886 6.456979 4.953864 3.751826 25 H 5.033108 5.020558 6.124385 3.907498 2.627195 26 H 7.050716 7.272393 8.419943 6.253880 4.919262 27 C 8.109714 8.735070 9.932519 8.024512 6.651580 28 H 6.422684 7.379520 8.538249 7.075266 5.842711 29 H 4.076750 5.151418 6.262603 5.104872 4.092032 30 C 8.939531 9.469113 10.656160 8.668407 7.306925 31 C 8.757819 9.343804 10.506917 8.643612 7.341157 32 H 8.563693 9.119672 10.306501 8.344830 6.977492 33 H 8.414084 9.178410 10.371841 8.601883 7.252165 34 H 8.957986 9.335509 10.503555 8.408938 7.064665 35 H 9.969542 10.524497 11.714918 9.727473 8.360328 36 C 9.892920 10.379300 11.507769 9.615844 8.364073 37 H 7.793151 8.351124 9.500117 7.666933 6.397842 38 H 8.948441 9.671597 10.834149 9.101474 7.812137 39 H 10.833075 11.350057 12.494236 10.579483 9.297436 40 H 9.900755 10.248559 11.357427 9.373881 8.144916 41 C 10.059066 10.578755 11.653928 9.928340 8.774314 42 H 9.262514 9.741197 10.781138 9.118223 8.032126 43 H 10.255087 10.897058 11.975914 10.357137 9.202011 44 H 10.973135 11.427228 12.476227 10.737282 9.616511 11 12 13 14 15 11 C 0.000000 12 H 4.433728 0.000000 13 H 4.707161 2.467765 0.000000 14 H 5.467554 2.494542 1.756161 0.000000 15 H 3.308006 4.411463 4.829875 6.146661 0.000000 16 H 2.110998 3.506402 3.828872 3.951625 4.688867 17 C 1.500157 5.748692 5.903544 6.503348 4.619671 18 H 4.198969 3.045567 1.765673 1.760349 5.507823 19 H 4.910488 2.305439 3.586389 2.490542 6.170514 20 C 2.527740 6.065821 6.160435 6.431002 5.826944 21 C 3.799147 7.409348 7.445362 7.647039 7.039588 22 C 4.347155 8.398729 8.430434 8.817380 7.326270 23 C 3.816950 8.163159 8.233722 8.855900 6.408194 24 C 2.535834 6.951619 7.080467 7.820651 5.021063 25 H 2.752009 5.452080 5.556412 5.597942 5.995590 26 H 4.643461 7.826536 7.827908 7.820843 7.937811 27 C 5.861970 9.850307 9.839971 10.151644 8.805745 28 H 4.659689 9.064317 9.128170 9.841989 6.896155 29 H 2.760084 7.102186 7.263227 8.181383 4.492869 30 C 6.651581 10.347715 10.602906 10.705959 9.674853 31 C 6.626615 10.274546 10.854419 10.967178 9.433701 32 H 6.283641 10.148993 9.905730 10.190434 9.288975 33 H 6.313368 10.500815 10.477995 10.922559 9.017000 34 H 6.598837 9.966959 10.226647 10.170369 9.766394 35 H 7.689190 11.413542 11.600542 11.697351 10.686568 36 C 7.789253 11.078762 11.848424 11.782697 10.588602 37 H 5.705344 9.270699 9.964275 10.084910 8.478948 38 H 6.946277 10.818393 11.374444 11.626471 9.536223 39 H 8.691892 12.078867 12.746706 12.687363 11.521210 40 H 7.736060 10.714989 11.505084 11.290570 10.663408 41 C 8.177018 11.303962 12.341943 12.289867 10.679030 42 H 7.484468 10.421371 11.594441 11.532566 9.876709 43 H 8.470966 11.823555 12.831168 12.907806 10.798837 44 H 9.103184 12.004299 13.129079 12.969465 11.605836 16 17 18 19 20 16 H 0.000000 17 C 2.728289 0.000000 18 H 2.750168 5.061684 0.000000 19 H 3.127702 5.786786 2.968116 0.000000 20 C 2.620258 1.407348 4.954542 5.562707 0.000000 21 C 3.933212 2.430250 6.138418 6.728415 1.372984 22 C 5.023956 2.847219 7.267388 7.945588 2.418482 23 C 5.053761 2.424559 7.322054 8.086235 2.738269 24 C 4.107917 1.386775 6.354872 7.137507 2.374849 25 H 1.959016 2.165314 4.191141 4.671488 1.073167 26 H 4.342249 3.394882 6.359205 6.844920 2.115905 27 C 6.422740 4.362146 8.587506 9.241412 3.804985 28 H 6.072142 3.380695 8.304198 9.103232 3.814560 29 H 4.670932 2.134767 6.784119 7.601319 3.357379 30 C 6.958544 5.198860 9.265991 9.488327 4.463063 31 C 7.100063 5.276860 9.643351 9.510796 4.777903 32 H 6.666504 4.813133 8.573169 9.462235 4.107863 33 H 7.154586 4.833631 9.334049 10.066499 4.550317 34 H 6.570962 5.210949 8.787162 8.900835 4.230330 35 H 7.999812 6.218032 10.233015 10.515421 5.485072 36 C 8.028895 6.529123 10.582159 10.106269 5.915974 37 H 6.196319 4.440849 8.818261 8.573283 4.023988 38 H 7.700183 5.596142 10.262242 10.244564 5.331371 39 H 8.944661 7.366312 11.435569 11.073825 6.719156 40 H 7.687422 6.531360 10.158322 9.548489 5.735740 41 C 8.542977 7.068349 11.209548 10.445696 6.665039 42 H 7.836807 6.506494 10.535841 9.617277 6.183770 43 H 9.077135 7.345948 11.776184 11.138477 7.107888 44 H 9.327252 8.032788 11.962520 11.020883 7.554480 21 22 23 24 25 21 C 0.000000 22 C 1.398636 0.000000 23 C 2.364621 1.377505 0.000000 24 C 2.750124 2.425811 1.394799 0.000000 25 H 2.092862 3.367057 3.810253 3.363728 0.000000 26 H 1.076873 2.144669 3.346382 3.826787 2.383838 27 C 2.534802 1.515010 2.534746 3.825987 4.627627 28 H 3.352187 2.129756 1.076703 2.124805 4.886834 29 H 3.817105 3.372763 2.121643 1.067616 4.272939 30 C 3.177641 2.571647 3.640110 4.823469 5.118289 31 C 3.752429 3.106541 3.774220 4.811161 5.470014 32 H 2.810919 2.127950 3.218501 4.418581 4.811754 33 H 3.412678 2.133217 2.611585 4.004452 5.472539 34 H 2.961736 2.860045 4.114327 5.124044 4.680350 35 H 4.159169 3.478520 4.490585 5.761359 6.126218 36 C 4.939146 4.535707 5.265700 6.206538 6.438740 37 H 3.225575 2.768108 3.287731 4.087226 4.705224 38 H 4.351920 3.405982 3.756179 4.872202 6.147729 39 H 5.619447 5.104679 5.886995 6.961489 7.263541 40 H 4.797989 4.701090 5.598810 6.436189 6.089601 41 C 5.906448 5.487303 5.934892 6.701534 7.190359 42 H 5.625347 5.346303 5.682616 6.244285 6.659503 43 H 6.342332 5.704483 5.965975 6.784630 7.750916 44 H 6.795668 6.469972 6.989328 7.740586 7.992330 26 27 28 29 30 26 H 0.000000 27 C 2.730465 0.000000 28 H 4.253668 2.746582 0.000000 29 H 4.893918 4.656090 2.407935 0.000000 30 C 3.034679 1.538319 3.870765 5.674398 0.000000 31 C 3.848268 2.576019 3.896924 5.520718 1.530162 32 H 2.755037 1.087272 3.480703 5.281417 2.147495 33 H 3.770113 1.085819 2.373372 4.639249 2.150847 34 H 2.481403 2.160146 4.574107 6.076792 1.087191 35 H 3.922986 2.140242 4.547794 6.565199 1.087745 36 C 4.813066 3.938203 5.408893 6.912485 2.550903 37 H 3.488458 2.813141 3.597957 4.800510 2.153590 38 H 4.623393 2.794565 3.574457 5.417422 2.148445 39 H 5.414343 4.209783 5.914646 7.662382 2.773277 40 H 4.480972 4.219147 5.928251 7.239515 2.773672 41 C 5.939118 5.125612 5.996256 7.250513 3.917098 42 H 5.747525 5.290702 5.851574 6.759636 4.237217 43 H 6.503976 5.282114 5.835511 7.210259 4.236419 44 H 6.717980 6.043860 7.072492 8.306186 4.718522 31 32 33 34 35 31 C 0.000000 32 H 3.491767 0.000000 33 H 2.845648 1.743295 0.000000 34 H 2.151653 2.450215 3.044456 0.000000 35 H 2.146414 2.440078 2.432026 1.742805 0.000000 36 C 1.530776 4.696086 4.246301 2.772607 2.768933 37 H 1.086008 3.790379 3.206451 2.505041 3.044022 38 H 1.088831 3.776252 2.630929 3.044890 2.485666 39 H 2.151826 4.835184 4.396783 3.086913 2.546507 40 H 2.149734 4.842359 4.761216 2.551188 3.089878 41 C 2.549728 6.010333 5.290626 4.199334 4.192863 42 H 2.812298 6.228449 5.536058 4.423198 4.748722 43 H 2.812815 6.222057 5.223153 4.753655 4.412814 44 H 3.494474 6.857138 6.246859 4.872182 4.866829 36 37 38 39 40 36 C 0.000000 37 H 2.148624 0.000000 38 H 2.149111 1.745473 0.000000 39 H 1.087714 3.044038 2.493435 0.000000 40 H 1.087688 2.494333 3.043905 1.745269 0.000000 41 C 1.528833 2.768252 2.771878 2.148868 2.148639 42 H 2.170948 2.591202 3.130806 3.058345 2.508047 43 H 2.171169 3.124547 2.594411 2.509639 3.058412 44 H 2.173734 3.765698 3.767921 2.488265 2.489373 41 42 43 44 41 C 0.000000 42 H 1.085958 0.000000 43 H 1.086111 1.752962 0.000000 44 H 1.085600 1.753910 1.753589 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.250229 -1.776833 0.114018 2 6 0 -4.825185 -1.961023 -1.282105 3 8 0 -3.338584 -2.785208 0.437408 4 8 0 -1.601181 2.954508 0.632668 5 6 0 -2.080297 1.868920 0.483857 6 7 0 -3.412776 1.690995 0.826327 7 6 0 -4.185856 0.569516 0.740934 8 8 0 -5.342380 0.557728 1.053183 9 7 0 -3.518917 -0.516185 0.239644 10 6 0 -2.195113 -0.435797 -0.132349 11 6 0 -1.422209 0.656851 -0.051048 12 1 0 -5.045111 -1.738706 0.839926 13 1 0 -5.512829 -1.156777 -1.512193 14 1 0 -5.369010 -2.898984 -1.344470 15 1 0 -3.875336 2.500928 1.183638 16 1 0 -1.826194 -1.365981 -0.499665 17 6 0 0.013406 0.648778 -0.486267 18 1 0 -4.033579 -1.974348 -2.023071 19 1 0 -3.780802 -3.622923 0.432130 20 6 0 0.594663 -0.513274 -1.027013 21 6 0 1.907116 -0.547792 -1.428710 22 6 0 2.735859 0.573262 -1.316448 23 6 0 2.170489 1.713479 -0.789400 24 6 0 0.839252 1.757311 -0.375455 25 1 0 0.024964 -1.415847 -1.138782 26 1 0 2.302230 -1.460251 -1.842183 27 6 0 4.179488 0.521305 -1.773058 28 1 0 2.761987 2.607074 -0.684954 29 1 0 0.464230 2.669924 0.032343 30 6 0 5.057665 -0.491545 -1.018495 31 6 0 5.117313 -0.265097 0.493643 32 1 0 4.199662 0.274847 -2.831837 33 1 0 4.619006 1.509292 -1.674525 34 1 0 4.703869 -1.499747 -1.219341 35 1 0 6.064629 -0.430504 -1.425296 36 6 0 6.017636 -1.273568 1.211752 37 1 0 4.116063 -0.319642 0.910698 38 1 0 5.484071 0.741421 0.688487 39 1 0 7.022447 -1.217764 0.799003 40 1 0 5.654752 -2.280026 1.015731 41 6 0 6.079455 -1.045428 2.722203 42 1 0 5.093771 -1.126164 3.170773 43 1 0 6.465837 -0.057036 2.953343 44 1 0 6.723641 -1.773065 3.206038 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5010756 0.1096462 0.1031355 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1738.2699096201 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.57D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.990040 -0.140678 0.004744 -0.002935 Ang= -16.19 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.110413200 A.U. after 14 cycles NFock= 14 Conv=0.48D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000363602 -0.000942619 0.000875432 2 6 -0.000808943 0.000733870 -0.000210753 3 8 -0.000089313 -0.000217412 0.000090982 4 8 -0.001224381 -0.000490352 -0.000457323 5 6 -0.000528410 -0.000932301 0.002365675 6 7 0.001603115 -0.000250210 -0.001629908 7 6 -0.001715656 0.002622979 0.001983580 8 8 0.000542510 -0.001188282 -0.000516138 9 7 -0.000091241 -0.001428927 -0.001568499 10 6 0.001454009 -0.000105042 0.001161515 11 6 -0.000614540 0.001556950 -0.000431644 12 1 -0.000191047 0.001133233 -0.000706223 13 1 0.000227445 0.000208441 0.000019646 14 1 0.000078639 -0.000130899 -0.000148428 15 1 -0.000398164 -0.000260639 0.000306755 16 1 -0.001189646 -0.000368857 -0.000609942 17 6 0.001636990 -0.004339696 0.001300338 18 1 -0.000139340 -0.000095938 0.000182097 19 1 0.000049465 -0.000292004 0.000036105 20 6 0.002626841 0.002828352 -0.002041556 21 6 -0.003780524 0.000470245 0.000284815 22 6 0.002226946 -0.002883459 0.002715403 23 6 0.002175355 0.002574363 -0.002737941 24 6 -0.003214222 0.000812022 0.000199970 25 1 0.000201187 0.000248821 0.000463020 26 1 0.000690719 0.000228100 -0.000125366 27 6 0.000511503 -0.000311138 -0.001038614 28 1 -0.000103928 -0.000569686 0.000104815 29 1 0.000827019 0.000641659 -0.000031259 30 6 0.000445171 0.001010277 -0.001146329 31 6 -0.001024221 -0.001008117 0.000521496 32 1 -0.001225026 0.000252812 0.000181515 33 1 0.000216943 0.000500573 0.000336392 34 1 -0.000099704 -0.000400166 -0.000023868 35 1 0.000395584 -0.000725597 0.000979162 36 6 0.000203126 0.001086235 -0.000775656 37 1 -0.000318795 0.000480894 -0.000414424 38 1 0.000609666 0.000541368 -0.000496115 39 1 0.000056568 -0.000673251 0.000418652 40 1 -0.000443863 -0.000483607 0.000388215 41 6 0.000034047 0.000155524 0.000210350 42 1 0.000210863 0.000045212 -0.000070525 43 1 -0.000134935 0.000135677 -0.000076703 44 1 -0.000051418 -0.000169410 0.000131284 ------------------------------------------------------------------- Cartesian Forces: Max 0.004339696 RMS 0.001143577 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003278095 RMS 0.000665090 Search for a local minimum. Step number 5 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 2 3 4 5 DE= -1.49D-03 DEPred=-9.79D-04 R= 1.52D+00 TightC=F SS= 1.41D+00 RLast= 4.21D-01 DXNew= 1.4270D+00 1.2642D+00 Trust test= 1.52D+00 RLast= 4.21D-01 DXMaxT set to 1.26D+00 ITU= 1 0 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00221 0.00230 0.00232 0.00289 0.00300 Eigenvalues --- 0.00350 0.00624 0.01364 0.01417 0.01472 Eigenvalues --- 0.01505 0.01540 0.01661 0.01836 0.01872 Eigenvalues --- 0.01886 0.01933 0.02061 0.02074 0.02111 Eigenvalues --- 0.02185 0.02283 0.02439 0.02464 0.02468 Eigenvalues --- 0.02580 0.02591 0.03292 0.03437 0.03459 Eigenvalues --- 0.03835 0.04717 0.04752 0.04778 0.05249 Eigenvalues --- 0.05320 0.05418 0.05451 0.05495 0.05562 Eigenvalues --- 0.05614 0.08319 0.08336 0.08529 0.08679 Eigenvalues --- 0.09654 0.12205 0.12213 0.12371 0.13059 Eigenvalues --- 0.15667 0.15923 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16053 0.16142 0.16244 0.17939 0.20174 Eigenvalues --- 0.21552 0.21919 0.21975 0.22010 0.22188 Eigenvalues --- 0.22528 0.22984 0.23789 0.24080 0.24819 Eigenvalues --- 0.24938 0.24995 0.24999 0.25483 0.26100 Eigenvalues --- 0.27525 0.28244 0.28470 0.28912 0.29248 Eigenvalues --- 0.30976 0.31252 0.32788 0.33087 0.33535 Eigenvalues --- 0.33557 0.33670 0.33694 0.33703 0.33712 Eigenvalues --- 0.33727 0.33738 0.33746 0.33754 0.33771 Eigenvalues --- 0.33786 0.33847 0.33974 0.34149 0.35246 Eigenvalues --- 0.35811 0.37823 0.38190 0.38576 0.38903 Eigenvalues --- 0.39304 0.43458 0.43910 0.47732 0.49499 Eigenvalues --- 0.50776 0.51519 0.52316 0.54366 0.54906 Eigenvalues --- 0.56149 0.57074 0.58911 0.72156 0.89093 Eigenvalues --- 0.92200 RFO step: Lambda=-1.09257316D-03 EMin= 2.21351129D-03 Quartic linear search produced a step of -0.16235. Iteration 1 RMS(Cart)= 0.16307247 RMS(Int)= 0.00439223 Iteration 2 RMS(Cart)= 0.00817494 RMS(Int)= 0.00002947 Iteration 3 RMS(Cart)= 0.00002963 RMS(Int)= 0.00002491 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00002491 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87441 -0.00020 -0.00218 0.00234 0.00016 2.87457 R2 2.64055 0.00048 -0.00038 0.00029 -0.00009 2.64046 R3 2.76432 -0.00058 0.00199 -0.00103 0.00095 2.76528 R4 2.03550 0.00048 -0.00038 0.00162 0.00124 2.03674 R5 2.04633 0.00027 -0.00055 0.00148 0.00093 2.04726 R6 2.05225 0.00010 -0.00054 0.00134 0.00080 2.05305 R7 2.04915 0.00023 -0.00052 0.00135 0.00083 2.04999 R8 1.79011 0.00023 -0.00157 0.00352 0.00195 1.79207 R9 2.25994 0.00063 -0.00194 0.00302 0.00108 2.26102 R10 2.62151 0.00038 0.00171 0.00055 0.00226 2.62377 R11 2.79546 -0.00234 0.00141 -0.00548 -0.00407 2.79140 R12 2.57908 -0.00066 0.00059 -0.00184 -0.00125 2.57784 R13 1.88748 -0.00046 0.00056 -0.00130 -0.00074 1.88674 R14 2.26388 0.00031 -0.00219 0.00354 0.00135 2.26523 R15 2.58751 0.00051 -0.00009 0.00247 0.00238 2.58989 R16 2.60295 -0.00066 -0.00097 -0.00079 -0.00176 2.60119 R17 2.53383 -0.00035 -0.00041 0.00046 0.00005 2.53389 R18 2.01437 0.00009 0.00071 -0.00026 0.00046 2.01483 R19 2.83489 -0.00279 -0.00102 -0.00375 -0.00476 2.83012 R20 2.65950 -0.00328 -0.00422 -0.00322 -0.00743 2.65207 R21 2.62063 0.00110 0.00168 0.00298 0.00467 2.62529 R22 2.59456 0.00183 0.00110 0.00387 0.00497 2.59954 R23 2.02799 0.00015 0.00070 -0.00032 0.00038 2.02837 R24 2.64304 -0.00146 -0.00315 -0.00100 -0.00415 2.63888 R25 2.03500 -0.00033 0.00050 -0.00125 -0.00075 2.03425 R26 2.60311 0.00220 0.00116 0.00447 0.00563 2.60874 R27 2.86295 0.00020 -0.00050 0.00126 0.00076 2.86371 R28 2.63579 -0.00262 -0.00399 -0.00114 -0.00513 2.63066 R29 2.03467 -0.00027 0.00051 -0.00117 -0.00066 2.03402 R30 2.01750 0.00063 -0.00008 0.00068 0.00060 2.01810 R31 2.90700 0.00016 -0.00208 0.00350 0.00142 2.90842 R32 2.05465 0.00023 -0.00063 0.00165 0.00102 2.05566 R33 2.05190 0.00009 -0.00028 0.00104 0.00077 2.05267 R34 2.89159 0.00014 -0.00136 0.00212 0.00076 2.89235 R35 2.05449 0.00021 -0.00023 0.00111 0.00088 2.05537 R36 2.05554 0.00009 -0.00038 0.00103 0.00066 2.05620 R37 2.89275 -0.00012 -0.00092 0.00073 -0.00019 2.89256 R38 2.05226 -0.00006 -0.00014 0.00024 0.00010 2.05236 R39 2.05759 0.00021 -0.00024 0.00106 0.00082 2.05842 R40 2.05548 0.00021 -0.00036 0.00126 0.00090 2.05638 R41 2.05543 0.00023 -0.00034 0.00127 0.00093 2.05636 R42 2.88908 -0.00021 -0.00118 0.00092 -0.00027 2.88881 R43 2.05216 0.00023 -0.00029 0.00106 0.00077 2.05293 R44 2.05245 0.00021 -0.00031 0.00105 0.00074 2.05319 R45 2.05149 0.00013 -0.00057 0.00136 0.00079 2.05228 A1 1.95158 0.00009 0.00169 -0.00027 0.00142 1.95300 A2 1.95212 -0.00091 -0.00141 -0.00236 -0.00377 1.94835 A3 1.92187 0.00049 0.00203 0.00022 0.00225 1.92412 A4 1.85029 0.00070 0.00097 -0.00118 -0.00021 1.85008 A5 1.92947 0.00011 0.00035 0.00533 0.00569 1.93516 A6 1.85516 -0.00052 -0.00402 -0.00175 -0.00578 1.84938 A7 1.92317 0.00010 0.00040 0.00011 0.00052 1.92368 A8 1.92472 -0.00033 -0.00127 0.00074 -0.00053 1.92419 A9 1.93129 0.00010 0.00121 -0.00090 0.00031 1.93160 A10 1.88732 0.00004 -0.00040 -0.00044 -0.00084 1.88648 A11 1.90447 0.00002 0.00021 0.00078 0.00099 1.90546 A12 1.89200 0.00007 -0.00018 -0.00029 -0.00048 1.89152 A13 1.90956 0.00033 0.00192 -0.00149 0.00043 1.90999 A14 2.06068 0.00113 -0.00282 0.00426 0.00133 2.06201 A15 2.22754 -0.00112 0.00495 -0.00628 -0.00142 2.22611 A16 1.99488 -0.00001 -0.00211 0.00231 0.00014 1.99501 A17 2.25755 -0.00098 0.00306 -0.00630 -0.00321 2.25434 A18 2.01433 0.00019 -0.00146 0.00064 -0.00083 2.01350 A19 2.01129 0.00079 -0.00160 0.00563 0.00402 2.01531 A20 2.13959 0.00070 0.00198 -0.00084 0.00101 2.14060 A21 1.98074 0.00069 -0.00271 0.00533 0.00254 1.98328 A22 2.16258 -0.00137 0.00077 -0.00393 -0.00328 2.15930 A23 2.06152 -0.00085 -0.00183 0.00124 -0.00064 2.06088 A24 2.10316 0.00095 0.00108 0.00029 0.00132 2.10449 A25 2.11849 -0.00011 0.00073 -0.00146 -0.00075 2.11774 A26 2.19589 -0.00117 0.00184 -0.00423 -0.00238 2.19351 A27 1.95493 0.00172 -0.00244 0.01082 0.00835 1.96327 A28 2.13234 -0.00055 0.00058 -0.00665 -0.00610 2.12624 A29 2.01881 0.00157 -0.00084 0.00436 0.00353 2.02234 A30 2.13535 -0.00241 0.00403 -0.00640 -0.00240 2.13295 A31 2.12899 0.00085 -0.00319 0.00212 -0.00110 2.12789 A32 2.10733 0.00127 -0.00292 0.00548 0.00254 2.10987 A33 2.14410 -0.00274 0.00399 -0.00986 -0.00589 2.13821 A34 2.03172 0.00148 -0.00107 0.00446 0.00337 2.03510 A35 2.12702 -0.00063 0.00092 -0.00217 -0.00126 2.12576 A36 2.11205 0.00024 -0.00039 0.00127 0.00087 2.11292 A37 2.04411 0.00039 -0.00053 0.00093 0.00040 2.04451 A38 2.12090 -0.00031 0.00029 -0.00101 -0.00072 2.12018 A39 2.07644 -0.00051 -0.00036 -0.00350 -0.00386 2.07258 A40 2.08584 0.00082 0.00007 0.00449 0.00456 2.09040 A41 2.03866 0.00032 -0.00123 0.00249 0.00125 2.03991 A42 2.10940 0.00116 0.00036 0.00405 0.00442 2.11382 A43 2.13506 -0.00148 0.00087 -0.00656 -0.00568 2.12938 A44 2.13092 -0.00033 0.00086 -0.00160 -0.00075 2.13017 A45 2.09279 -0.00031 0.00019 -0.00334 -0.00314 2.08965 A46 2.05947 0.00065 -0.00105 0.00494 0.00389 2.06337 A47 2.11711 -0.00052 0.00023 -0.00211 -0.00187 2.11524 A48 2.09976 -0.00049 0.00112 -0.00399 -0.00286 2.09690 A49 2.06631 0.00102 -0.00136 0.00609 0.00473 2.07105 A50 2.00283 0.00103 0.00078 0.00525 0.00602 2.00885 A51 1.89541 -0.00011 0.00135 0.00005 0.00140 1.89682 A52 1.90409 -0.00029 -0.00060 0.00025 -0.00035 1.90373 A53 1.89422 -0.00022 0.00139 -0.00055 0.00083 1.89505 A54 1.90023 -0.00020 -0.00004 -0.00097 -0.00102 1.89920 A55 1.86200 -0.00029 -0.00321 -0.00476 -0.00798 1.85403 A56 1.99276 0.00050 -0.00039 0.00516 0.00476 1.99751 A57 1.91154 0.00007 0.00092 0.00226 0.00315 1.91469 A58 1.88397 -0.00029 -0.00057 -0.00169 -0.00225 1.88172 A59 1.90973 0.00004 0.00075 0.00236 0.00308 1.91282 A60 1.90201 -0.00007 0.00159 -0.00378 -0.00219 1.89982 A61 1.85897 -0.00031 -0.00249 -0.00515 -0.00763 1.85134 A62 1.97036 -0.00044 0.00031 0.00124 0.00155 1.97191 A63 1.91360 0.00026 0.00036 0.00131 0.00167 1.91527 A64 1.90368 0.00025 0.00063 0.00102 0.00165 1.90533 A65 1.90605 0.00021 0.00079 0.00028 0.00107 1.90712 A66 1.90386 0.00021 0.00062 0.00054 0.00116 1.90502 A67 1.86320 -0.00050 -0.00292 -0.00475 -0.00767 1.85554 A68 1.90870 0.00023 0.00073 0.00085 0.00158 1.91028 A69 1.90586 0.00019 0.00063 0.00059 0.00121 1.90708 A70 1.97028 -0.00029 0.00034 0.00153 0.00187 1.97216 A71 1.86219 -0.00044 -0.00280 -0.00437 -0.00716 1.85503 A72 1.90699 0.00015 0.00051 0.00062 0.00113 1.90811 A73 1.90670 0.00015 0.00038 0.00043 0.00082 1.90751 A74 1.93939 0.00003 0.00099 -0.00103 -0.00004 1.93935 A75 1.93954 0.00003 0.00102 -0.00098 0.00004 1.93957 A76 1.94368 -0.00026 -0.00050 0.00000 -0.00050 1.94318 A77 1.87827 0.00001 -0.00069 0.00084 0.00015 1.87842 A78 1.88039 0.00010 -0.00045 0.00063 0.00018 1.88057 A79 1.87970 0.00010 -0.00047 0.00066 0.00019 1.87989 D1 -3.12310 -0.00002 -0.00030 -0.00074 -0.00105 -3.12415 D2 1.07787 0.00007 0.00074 -0.00074 -0.00000 1.07787 D3 -1.01533 0.00013 0.00102 -0.00027 0.00074 -1.01459 D4 -1.05090 0.00032 0.00111 -0.00402 -0.00291 -1.05381 D5 -3.13311 0.00041 0.00215 -0.00402 -0.00187 -3.13498 D6 1.05687 0.00047 0.00243 -0.00355 -0.00112 1.05575 D7 1.00776 -0.00058 -0.00348 -0.00755 -0.01102 0.99675 D8 -1.07445 -0.00048 -0.00243 -0.00755 -0.00997 -1.08442 D9 3.11553 -0.00042 -0.00215 -0.00708 -0.00923 3.10630 D10 -1.08069 -0.00045 -0.00134 -0.00215 -0.00351 -1.08420 D11 3.07080 0.00015 -0.00125 0.00168 0.00043 3.07123 D12 1.06732 0.00032 0.00277 0.00178 0.00456 1.07188 D13 1.65954 -0.00026 -0.00189 -0.00861 -0.01051 1.64903 D14 -1.48764 0.00009 0.00167 0.00608 0.00774 -1.47989 D15 -2.49230 -0.00023 -0.00002 -0.01111 -0.01113 -2.50343 D16 0.64371 0.00012 0.00354 0.00358 0.00712 0.65083 D17 -0.43858 -0.00001 -0.00107 -0.00641 -0.00747 -0.44605 D18 2.69744 0.00034 0.00249 0.00827 0.01077 2.70821 D19 3.13011 0.00018 0.00194 0.00887 0.01088 3.14099 D20 -0.00658 0.00033 0.00233 0.01376 0.01612 0.00954 D21 0.00212 -0.00035 -0.00057 -0.01189 -0.01246 -0.01033 D22 -3.13457 -0.00019 -0.00019 -0.00700 -0.00721 3.14141 D23 -3.12525 -0.00058 -0.00382 -0.02248 -0.02623 3.13171 D24 0.00782 -0.00029 -0.00119 -0.01187 -0.01304 -0.00522 D25 0.00119 0.00002 -0.00100 0.00076 -0.00025 0.00094 D26 3.13426 0.00031 0.00162 0.01137 0.01294 -3.13599 D27 -3.11883 -0.00028 -0.00028 -0.00668 -0.00701 -3.12583 D28 -0.00157 0.00055 0.00215 0.01821 0.02038 0.01881 D29 0.01787 -0.00043 -0.00066 -0.01157 -0.01227 0.00560 D30 3.13513 0.00040 0.00176 0.01331 0.01512 -3.13294 D31 3.13363 -0.00009 0.00141 0.00117 0.00254 3.13617 D32 -0.00233 -0.00045 -0.00217 -0.01365 -0.01586 -0.01820 D33 -0.03266 0.00079 0.00388 0.02649 0.03033 -0.00234 D34 3.11456 0.00043 0.00029 0.01167 0.01192 3.12648 D35 -3.12983 -0.00016 -0.00288 -0.01033 -0.01322 3.14013 D36 0.00404 -0.00057 -0.00433 -0.02061 -0.02500 -0.02096 D37 0.00600 0.00020 0.00082 0.00485 0.00563 0.01163 D38 3.13987 -0.00021 -0.00063 -0.00544 -0.00615 3.13372 D39 -0.00513 0.00003 0.00090 0.00210 0.00303 -0.00211 D40 -3.13824 -0.00024 -0.00167 -0.00843 -0.01011 3.13484 D41 -3.13826 0.00046 0.00252 0.01329 0.01577 -3.12249 D42 0.01182 0.00020 -0.00005 0.00277 0.00263 0.01445 D43 -3.10877 0.00014 -0.01740 -0.00465 -0.02204 -3.13082 D44 0.04147 -0.00014 -0.02004 -0.01602 -0.03602 0.00545 D45 0.02377 0.00044 -0.01463 0.00663 -0.00805 0.01572 D46 -3.10918 0.00017 -0.01727 -0.00474 -0.02202 -3.13120 D47 -3.13788 -0.00006 -0.00151 -0.00436 -0.00594 3.13937 D48 -0.00046 0.00016 -0.00115 0.00247 0.00125 0.00079 D49 -0.00440 0.00018 0.00095 0.00623 0.00719 0.00280 D50 3.13302 0.00039 0.00130 0.01306 0.01438 -3.13578 D51 3.14050 0.00001 0.00095 0.00139 0.00228 -3.14041 D52 -0.00130 0.00000 0.00091 0.00126 0.00212 0.00082 D53 0.00721 -0.00026 -0.00159 -0.00953 -0.01113 -0.00393 D54 -3.13459 -0.00026 -0.00163 -0.00966 -0.01129 3.13730 D55 0.00331 -0.00006 -0.00022 -0.00092 -0.00114 0.00217 D56 -3.13466 0.00007 0.00036 0.00256 0.00291 -3.13174 D57 -3.13426 -0.00026 -0.00056 -0.00749 -0.00806 3.14086 D58 0.01095 -0.00013 0.00002 -0.00401 -0.00401 0.00695 D59 -0.00470 0.00001 0.00011 -0.00129 -0.00117 -0.00587 D60 -3.13435 0.00008 -0.00019 0.00016 -0.00003 -3.13438 D61 3.13326 -0.00012 -0.00048 -0.00480 -0.00529 3.12797 D62 0.00361 -0.00005 -0.00078 -0.00335 -0.00415 -0.00054 D63 0.00760 -0.00009 -0.00077 -0.00208 -0.00285 0.00474 D64 -3.13638 -0.00001 -0.00030 -0.00074 -0.00106 -3.13744 D65 3.13706 -0.00015 -0.00046 -0.00347 -0.00393 3.13313 D66 -0.00692 -0.00007 0.00000 -0.00212 -0.00214 -0.00906 D67 -1.08369 -0.00049 -0.01316 -0.05151 -0.06466 -1.14835 D68 1.03915 -0.00016 -0.00978 -0.04862 -0.05840 0.98075 D69 3.06229 -0.00073 -0.01318 -0.05412 -0.06730 2.99499 D70 2.07052 -0.00043 -0.01346 -0.05005 -0.06351 2.00700 D71 -2.08983 -0.00010 -0.01008 -0.04716 -0.05725 -2.14708 D72 -0.06669 -0.00066 -0.01349 -0.05266 -0.06615 -0.13285 D73 -0.00924 0.00023 0.00157 0.00784 0.00939 0.00015 D74 3.13256 0.00024 0.00161 0.00797 0.00954 -3.14109 D75 3.13470 0.00016 0.00111 0.00653 0.00763 -3.14086 D76 -0.00669 0.00017 0.00115 0.00666 0.00778 0.00109 D77 -1.01480 -0.00056 -0.01354 -0.11908 -0.13263 -1.14743 D78 1.13341 -0.00009 -0.01213 -0.11056 -0.12269 1.01072 D79 -3.13251 -0.00058 -0.01490 -0.11640 -0.13131 3.01937 D80 -3.13828 -0.00095 -0.01690 -0.12229 -0.13919 3.00571 D81 -0.99007 -0.00048 -0.01549 -0.11377 -0.12926 -1.11933 D82 1.02719 -0.00097 -0.01826 -0.11962 -0.13788 0.88932 D83 1.12449 -0.00037 -0.01382 -0.11582 -0.12965 0.99484 D84 -3.01048 0.00009 -0.01241 -0.10730 -0.11971 -3.13019 D85 -0.99322 -0.00040 -0.01518 -0.11314 -0.12833 -1.12155 D86 -3.12417 0.00028 0.00165 0.02404 0.02570 -3.09846 D87 1.02973 0.00012 0.00016 0.02189 0.02205 1.05178 D88 -1.00475 0.00043 0.00310 0.02628 0.02939 -0.97536 D89 1.00983 -0.00020 0.00015 0.01559 0.01574 1.02557 D90 -1.11947 -0.00036 -0.00135 0.01344 0.01209 -1.10738 D91 3.12925 -0.00005 0.00160 0.01783 0.01942 -3.13451 D92 -1.01646 0.00019 0.00182 0.02257 0.02439 -0.99207 D93 3.13743 0.00003 0.00032 0.02042 0.02074 -3.12501 D94 1.10296 0.00034 0.00327 0.02481 0.02808 1.13104 D95 1.01258 -0.00016 -0.00152 -0.00336 -0.00488 1.00770 D96 -1.01915 0.00013 0.00107 0.00107 0.00214 -1.01700 D97 3.13951 -0.00000 -0.00010 -0.00093 -0.00103 3.13848 D98 -3.13706 0.00003 -0.00027 -0.00064 -0.00091 -3.13798 D99 1.11439 0.00032 0.00232 0.00379 0.00611 1.12050 D100 -1.01014 0.00019 0.00115 0.00179 0.00294 -1.00720 D101 -1.10674 -0.00034 -0.00297 -0.00587 -0.00884 -1.11558 D102 -3.13847 -0.00004 -0.00038 -0.00143 -0.00182 -3.14028 D103 1.02019 -0.00018 -0.00155 -0.00343 -0.00499 1.01520 D104 1.04514 0.00001 -0.00005 -0.00148 -0.00153 1.04361 D105 -1.04588 -0.00005 -0.00053 -0.00119 -0.00172 -1.04760 D106 -3.14157 -0.00002 -0.00029 -0.00137 -0.00166 3.13995 D107 -3.11016 0.00021 0.00149 0.00108 0.00258 -3.10759 D108 1.08201 0.00016 0.00101 0.00137 0.00238 1.08439 D109 -1.01369 0.00018 0.00125 0.00119 0.00244 -1.01124 D110 -1.07892 -0.00015 -0.00136 -0.00356 -0.00492 -1.08385 D111 3.11325 -0.00020 -0.00184 -0.00328 -0.00512 3.10813 D112 1.01755 -0.00018 -0.00160 -0.00346 -0.00506 1.01250 Item Value Threshold Converged? Maximum Force 0.003278 0.000450 NO RMS Force 0.000665 0.000300 NO Maximum Displacement 0.801046 0.001800 NO RMS Displacement 0.164030 0.001200 NO Predicted change in Energy=-6.957774D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.875903 -5.153384 1.923813 2 6 0 7.289440 -4.748062 3.330448 3 8 0 6.425355 -6.475066 1.873547 4 8 0 2.828004 -2.034226 0.033170 5 6 0 3.636093 -2.780330 0.504215 6 7 0 4.979166 -2.535820 0.250968 7 6 0 6.075371 -3.231366 0.669786 8 8 0 7.194336 -2.903634 0.391559 9 7 0 5.771198 -4.331501 1.428389 10 6 0 4.467894 -4.652851 1.733125 11 6 0 3.381796 -3.973706 1.336765 12 1 0 7.691517 -4.999229 1.236310 13 1 0 7.616862 -3.715423 3.341538 14 1 0 8.113965 -5.367040 3.673009 15 1 0 5.169168 -1.732604 -0.310801 16 1 0 4.393309 -5.538153 2.322582 17 6 0 1.997566 -4.405117 1.711872 18 1 0 6.462197 -4.866998 4.022062 19 1 0 7.128974 -7.058138 2.127041 20 6 0 1.788482 -5.536699 2.515227 21 6 0 0.525597 -5.948186 2.873162 22 6 0 -0.612992 -5.258808 2.450778 23 6 0 -0.410757 -4.142500 1.664205 24 6 0 0.863395 -3.717780 1.298074 25 1 0 2.614341 -6.117659 2.879319 26 1 0 0.422369 -6.818036 3.498870 27 6 0 -1.999957 -5.714049 2.857667 28 1 0 -1.256206 -3.574454 1.316240 29 1 0 0.957238 -2.846220 0.688110 30 6 0 -2.430804 -7.079372 2.292871 31 6 0 -2.593434 -7.112726 0.771334 32 1 0 -2.047809 -5.757464 3.943556 33 1 0 -2.723747 -4.964133 2.551664 34 1 0 -1.721214 -7.844025 2.600741 35 1 0 -3.379735 -7.345852 2.753812 36 6 0 -3.080190 -8.467789 0.251869 37 1 0 -1.648877 -6.864937 0.296003 38 1 0 -3.299563 -6.339973 0.470108 39 1 0 -4.028528 -8.717308 0.723621 40 1 0 -2.376716 -9.241503 0.552914 41 6 0 -3.246884 -8.500126 -1.267363 42 1 0 -2.306798 -8.288133 -1.768845 43 1 0 -3.970285 -7.759878 -1.597841 44 1 0 -3.591041 -9.472742 -1.606494 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521158 0.000000 3 O 1.397270 2.419039 0.000000 4 O 5.448777 6.175869 6.004081 0.000000 5 C 4.259461 5.020608 4.827642 1.196480 0.000000 6 N 3.639733 4.440110 4.499098 2.219579 1.388440 7 C 2.430553 3.294458 3.477516 3.519065 2.486146 8 O 2.740543 3.471027 3.942429 4.466449 3.562160 9 N 1.463322 2.469091 2.284942 3.985787 2.796230 10 C 2.466861 3.243705 2.678029 3.526512 2.389235 11 C 3.734307 4.454669 3.975951 2.401589 1.477144 12 H 1.077798 2.147130 2.046297 5.821731 4.680378 13 H 2.150975 1.083361 3.345193 6.058456 4.977079 14 H 2.153633 1.086427 2.705031 7.231698 6.064953 15 H 4.428112 5.181432 5.370319 2.385443 2.027880 16 H 2.543686 3.166641 2.282247 4.468679 3.389014 17 C 4.939940 5.544487 4.890414 3.021389 2.604446 18 H 2.157735 1.084807 2.683908 6.094524 4.971548 19 H 1.932210 2.609672 0.948320 6.937026 5.756164 20 C 5.136006 5.616677 4.774189 4.416846 3.880129 21 C 6.469881 6.884691 6.006994 5.355905 5.032137 22 C 7.508153 7.967629 7.165949 5.299360 5.290244 23 C 7.361026 7.901652 7.226142 4.194600 4.424713 24 C 6.213112 6.818069 6.234516 2.879935 3.032636 25 H 4.472553 4.892429 3.957669 4.982033 4.221713 26 H 6.848356 7.174247 6.228575 6.378322 5.966494 27 C 8.942445 9.351446 8.516662 6.695378 6.775729 28 H 8.306225 8.857904 8.229856 4.549653 5.022411 29 H 6.471520 7.120094 6.668890 2.141973 2.685968 30 C 9.511069 10.049613 8.886652 7.629863 7.647764 31 C 9.738357 10.479117 9.108241 7.465122 7.592630 32 H 9.169346 9.411642 8.751823 7.275107 7.280051 33 H 9.622022 10.045751 9.297787 6.763809 7.029126 34 H 9.033726 9.555592 8.292735 7.812911 7.664018 35 H 10.520168 10.996013 9.882961 8.611114 8.667556 36 C 10.625651 11.438672 9.846632 8.737581 8.804506 37 H 8.845963 9.673806 8.236132 6.591458 6.682685 38 H 10.347046 11.083443 9.826593 7.501830 7.795867 39 H 11.534672 12.273828 10.753309 9.599602 9.697540 40 H 10.207990 11.015456 9.320607 8.905285 8.826268 41 C 11.129022 12.092642 10.369108 8.966801 9.123044 42 H 10.381925 11.429027 9.633521 8.290042 8.415500 43 H 11.697678 12.654662 11.034972 9.036594 9.331213 44 H 11.860727 12.848380 11.019298 9.961132 10.073477 6 7 8 9 10 6 N 0.000000 7 C 1.364132 0.000000 8 O 2.249895 1.198708 0.000000 9 N 2.288690 1.370509 2.266967 0.000000 10 C 2.634389 2.394846 3.506144 1.376492 0.000000 11 C 2.407917 2.872503 4.071109 2.417778 1.340875 12 H 3.794223 2.461345 2.313507 2.042151 3.280022 13 H 4.230901 3.122301 3.088674 2.728767 3.658109 14 H 5.436279 4.211451 4.204997 3.405762 4.191306 15 H 0.998420 2.007247 2.442525 3.184570 3.632803 16 H 3.694430 3.298838 4.302940 2.038178 1.066200 17 C 3.810309 4.369454 5.568133 3.784981 2.482810 18 H 4.674924 3.750024 4.191823 2.737038 3.043408 19 H 5.347212 4.228221 4.502896 3.125095 3.608590 20 C 4.930781 5.205538 6.377009 4.300668 2.927818 21 C 6.193094 6.560180 7.739491 5.676035 4.303404 22 C 6.597428 7.212257 8.410803 6.531697 5.166974 23 C 5.799132 6.624869 7.809729 6.189338 4.905757 24 C 4.408291 5.272194 6.447124 4.947743 3.749138 25 H 5.032911 5.019109 6.123337 3.906572 2.625849 26 H 7.046321 7.268036 8.416499 6.251377 4.916519 27 C 8.099641 8.727053 9.925479 8.021541 6.650100 28 H 6.410416 7.368014 8.527409 7.068954 5.839697 29 H 4.057506 5.132637 6.244408 5.091983 4.084199 30 C 8.928656 9.476105 10.662790 8.693156 7.334396 31 C 8.863585 9.498603 10.661198 8.839345 7.539124 32 H 8.566947 9.115086 10.304284 8.336444 6.968541 33 H 8.397904 9.163429 10.357610 8.592210 7.244764 34 H 8.865301 9.262394 10.429524 8.357540 7.017223 35 H 9.963527 10.520037 11.710018 9.725360 8.359387 36 C 10.007071 10.555523 11.685256 9.840739 8.586119 37 H 7.916707 8.544388 9.690380 7.922002 6.661347 38 H 9.113559 9.878901 11.042486 9.339752 8.048291 39 H 10.934933 11.497271 12.643645 10.759491 9.472492 40 H 9.958231 10.371749 11.480403 9.553171 8.324501 41 C 10.273567 10.881950 11.962100 10.294189 9.128103 42 H 9.500211 10.088536 11.132462 9.546269 8.448404 43 H 10.526232 11.250101 12.336514 10.761428 9.589152 44 H 11.181212 11.729269 12.785529 11.103801 9.966486 11 12 13 14 15 11 C 0.000000 12 H 4.431194 0.000000 13 H 4.692718 2.466924 0.000000 14 H 5.458281 2.500250 1.756366 0.000000 15 H 3.306314 4.407566 4.823107 6.144241 0.000000 16 H 2.107720 3.514058 3.840822 3.961845 4.692426 17 C 1.497637 5.744581 5.891348 6.494744 4.614390 18 H 4.183020 3.047807 1.767057 1.760744 5.501823 19 H 4.917275 2.312782 3.589816 2.494001 6.176182 20 C 2.523959 6.063854 6.161968 6.432804 5.821220 21 C 3.796967 7.411492 7.449204 7.652503 7.033598 22 C 4.341756 8.396856 8.420570 8.812795 7.313946 23 C 3.810403 8.158672 8.212095 8.843397 6.390916 24 C 2.531667 6.947602 7.055853 7.805839 5.006903 25 H 2.750454 5.452346 5.568626 5.607070 5.994390 26 H 4.639301 7.827372 7.836561 7.829199 7.931413 27 C 5.857064 9.852128 9.834218 10.152665 8.791328 28 H 4.655201 9.060802 9.102365 9.826893 6.879324 29 H 2.751448 7.091297 7.221273 8.153705 4.469711 30 C 6.659251 10.387719 10.647603 10.771677 9.650213 31 C 6.773223 10.510152 11.063352 11.230117 9.506562 32 H 6.281541 10.136990 9.896374 10.172869 9.294289 33 H 6.303538 10.498053 10.445639 10.903016 8.996366 34 H 6.528225 9.927439 10.236884 10.198821 9.659394 35 H 7.687503 11.418497 11.595283 11.698964 10.676335 36 C 7.945505 11.359124 12.106112 12.109002 10.664483 37 H 5.894920 9.571207 10.249324 10.438436 8.555395 38 H 7.140790 11.099031 11.588861 11.894276 9.672490 39 H 8.819899 12.306357 12.941694 12.936898 11.595419 40 H 7.843760 10.946837 11.755236 11.610377 10.680352 41 C 8.438565 11.754713 12.734062 12.778592 10.841785 42 H 7.785833 10.945965 12.062533 12.113581 10.049423 43 H 8.774971 12.314675 13.229401 13.399128 11.023343 44 H 9.355353 12.465551 13.536869 13.480991 11.761369 16 17 18 19 20 16 H 0.000000 17 C 2.719618 0.000000 18 H 2.760250 5.048093 0.000000 19 H 3.135675 5.791566 2.972675 0.000000 20 C 2.611941 1.403415 4.956073 5.566535 0.000000 21 C 3.928162 2.428240 6.142650 6.737453 1.375615 22 C 5.015727 2.844254 7.258151 7.954901 2.418359 23 C 5.045825 2.423068 7.302183 8.097080 2.739468 24 C 4.101665 1.389245 6.331460 7.148612 2.376071 25 H 1.952053 2.162440 4.204284 4.672508 1.073369 26 H 4.334757 3.390691 6.368657 6.849680 2.115572 27 C 6.418029 4.359626 8.583784 9.256229 3.808017 28 H 6.065134 3.381354 8.280452 9.116178 3.815509 29 H 4.660964 2.135540 6.745617 7.609278 3.356784 30 C 6.996053 5.205733 9.325780 9.561240 4.497962 31 C 7.328044 5.412305 9.880029 9.816626 4.972546 32 H 6.645573 4.813970 8.556827 9.444831 4.099511 33 H 7.143841 4.827892 9.303390 10.081730 4.548558 34 H 6.540780 5.142519 8.823324 8.897631 4.201075 35 H 7.992117 6.216826 10.228235 10.531315 5.480915 36 C 8.289982 6.664871 10.873692 10.475228 6.117029 37 H 6.509638 4.620817 9.146846 8.968874 4.301699 38 H 7.953292 5.774532 10.491806 10.583741 5.542199 39 H 9.142814 7.475657 11.651606 11.367159 6.867586 40 H 7.917055 6.623304 10.454552 9.879429 5.909748 41 C 8.946147 7.290350 11.638037 11.011801 6.960230 42 H 8.318268 6.761712 11.051427 10.282247 6.534139 43 H 9.500289 7.604201 12.197899 11.728629 7.417766 44 H 9.729772 8.241657 12.408107 11.605530 7.837110 21 22 23 24 25 21 C 0.000000 22 C 1.396438 0.000000 23 C 2.366187 1.380485 0.000000 24 C 2.751312 2.425533 1.392086 0.000000 25 H 2.095617 3.367040 3.811690 3.365348 0.000000 26 H 1.076478 2.145149 3.349416 3.827478 2.383089 27 C 2.536431 1.515412 2.533707 3.823114 4.631967 28 H 3.351632 2.130246 1.076355 2.124520 4.887970 29 H 3.818764 3.375381 2.122384 1.067933 4.271968 30 C 3.218172 2.577563 3.619534 4.810579 5.169362 31 C 3.937282 3.190564 3.792564 4.873683 5.705671 32 H 2.793660 2.129729 3.237822 4.431026 4.795621 33 H 3.410273 2.133611 2.610093 3.999059 5.471121 34 H 2.952385 2.816734 4.036791 5.040143 4.674931 35 H 4.149619 3.478857 4.501504 5.769422 6.119899 36 C 5.120671 4.606498 5.275290 6.261708 6.697334 37 H 3.494355 2.880236 3.288857 4.149730 5.040533 38 H 4.534315 3.508509 3.820988 4.989153 6.389678 39 H 5.747053 5.158506 5.907777 7.018276 7.452042 40 H 4.965169 4.751260 5.576719 6.447100 6.330973 41 C 6.155320 5.591789 5.968803 6.807841 7.564727 42 H 5.919969 5.463607 5.706756 6.351711 7.108726 43 H 6.594320 5.823924 6.032960 6.934648 8.130139 44 H 7.031111 6.564105 7.015921 7.835694 8.359777 26 27 28 29 30 26 H 0.000000 27 C 2.738173 0.000000 28 H 4.254681 2.739896 0.000000 29 H 4.895077 4.655794 2.413339 0.000000 30 C 3.108589 1.539069 3.823342 5.654526 0.000000 31 C 4.076930 2.580949 3.821580 5.551331 1.530567 32 H 2.724763 1.087809 3.506417 5.301281 2.149160 33 H 3.772559 1.086225 2.368789 4.637676 2.151052 34 H 2.540519 2.163447 4.482791 5.984172 1.087656 35 H 3.910204 2.139476 4.560640 6.582032 1.088094 36 C 5.052981 3.942102 5.329590 6.934923 2.552467 37 H 3.814526 2.830181 3.467327 4.805796 2.155196 38 H 4.822315 2.789480 3.541093 5.511278 2.150330 39 H 5.578506 4.205808 5.872471 7.702519 2.774545 40 H 4.731461 4.230457 5.826977 7.213402 2.775821 41 C 6.245784 5.131562 5.907626 7.311988 3.919157 42 H 6.112148 5.303270 5.730642 6.804775 4.239577 43 H 6.794037 5.283859 5.777185 7.324623 4.239190 44 H 7.015672 6.048806 6.984528 8.358399 4.720107 31 32 33 34 35 31 C 0.000000 32 H 3.492483 0.000000 33 H 2.793386 1.738859 0.000000 34 H 2.154599 2.502708 3.049796 0.000000 35 H 2.145421 2.390083 2.478663 1.738475 0.000000 36 C 1.530676 4.694701 4.206151 2.784438 2.758294 37 H 1.086060 3.832791 3.139491 2.505127 3.044334 38 H 1.089267 3.737787 2.560737 3.048435 2.496703 39 H 2.153243 4.801240 4.373845 3.099984 2.534462 40 H 2.150898 4.872695 4.734060 2.564415 3.073026 41 C 2.551110 6.009464 5.230859 4.209557 4.185671 42 H 2.813583 6.253230 5.467139 4.430962 4.742732 43 H 2.815585 6.197795 5.156398 4.763769 4.411015 44 H 3.495563 6.854773 6.194354 4.883626 4.855983 36 37 38 39 40 36 C 0.000000 37 H 2.149357 0.000000 38 H 2.150198 1.740880 0.000000 39 H 1.088189 3.045796 2.499477 0.000000 40 H 1.088181 2.498763 3.045879 1.741380 0.000000 41 C 1.528692 2.769763 2.772696 2.149920 2.149475 42 H 2.171105 2.592671 3.129507 3.059564 2.510850 43 H 2.171367 3.126740 2.596616 2.511823 3.059481 44 H 2.173572 3.767246 3.769811 2.488275 2.488192 41 42 43 44 41 C 0.000000 42 H 1.086364 0.000000 43 H 1.086504 1.753706 0.000000 44 H 1.086018 1.754690 1.754367 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.359225 -1.670836 0.381706 2 6 0 -4.949777 -2.014006 -0.977487 3 8 0 -3.485600 -2.662319 0.835694 4 8 0 -1.525757 2.980923 0.234178 5 6 0 -2.053876 1.907356 0.223839 6 7 0 -3.387196 1.829695 0.603298 7 6 0 -4.200793 0.736975 0.673144 8 8 0 -5.350579 0.806976 1.004798 9 7 0 -3.576941 -0.435108 0.333549 10 6 0 -2.257313 -0.456530 -0.057417 11 6 0 -1.448686 0.609897 -0.139892 12 1 0 -5.146333 -1.495659 1.096844 13 1 0 -5.607941 -1.220686 -1.310857 14 1 0 -5.530527 -2.930034 -0.914676 15 1 0 -3.812169 2.698035 0.852749 16 1 0 -1.914246 -1.440895 -0.281277 17 6 0 -0.018940 0.488220 -0.568773 18 1 0 -4.163866 -2.156987 -1.711453 19 1 0 -3.960815 -3.475669 0.944981 20 6 0 0.524160 -0.757086 -0.920663 21 6 0 1.833913 -0.889982 -1.319666 22 6 0 2.689593 0.211239 -1.391518 23 6 0 2.157334 1.438493 -1.050510 24 6 0 0.832884 1.582884 -0.646916 25 1 0 -0.071716 -1.649381 -0.891298 26 1 0 2.196993 -1.867377 -1.587392 27 6 0 4.128524 0.056792 -1.841071 28 1 0 2.775255 2.318767 -1.093297 29 1 0 0.477321 2.558088 -0.395851 30 6 0 5.022051 -0.768590 -0.898157 31 6 0 5.256038 -0.130068 0.473037 32 1 0 4.138347 -0.409179 -2.823977 33 1 0 4.568559 1.041791 -1.967686 34 1 0 4.600270 -1.762951 -0.770327 35 1 0 5.982908 -0.909707 -1.388858 36 6 0 6.196542 -0.948705 1.360873 37 1 0 4.306286 0.002017 0.982990 38 1 0 5.671516 0.867586 0.336769 39 1 0 7.150598 -1.079724 0.854151 40 1 0 5.783893 -1.946340 1.497189 41 6 0 6.433898 -0.309054 2.728868 42 1 0 5.501679 -0.195982 3.275101 43 1 0 6.877966 0.677437 2.628217 44 1 0 7.102506 -0.911906 3.336295 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5194584 0.1062286 0.1006875 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1733.6233182171 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.57D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.995787 0.091462 -0.005970 0.002677 Ang= 10.52 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.110993076 A.U. after 13 cycles NFock= 13 Conv=0.99D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000229750 0.000331113 0.000433440 2 6 -0.000155355 0.000172032 0.000001217 3 8 0.001135589 -0.000472914 0.000283758 4 8 0.000652124 0.000327295 0.000688433 5 6 -0.000256916 -0.001599645 -0.001231871 6 7 -0.000086877 0.000353203 0.000911824 7 6 0.000017192 -0.000595465 -0.001926370 8 8 -0.000580217 0.000006826 0.001226413 9 7 -0.000156254 -0.000055727 -0.000149055 10 6 0.000630269 0.000095214 0.000141565 11 6 -0.000054863 0.001079897 0.000079919 12 1 -0.000223263 0.000000789 -0.000103747 13 1 0.000003611 -0.000107739 -0.000016681 14 1 -0.000088510 0.000044136 -0.000125461 15 1 0.000079602 -0.000045609 0.000113508 16 1 0.000069321 -0.000007344 -0.000289371 17 6 0.000451852 -0.001204824 0.001328423 18 1 0.000088240 -0.000005221 -0.000087236 19 1 -0.000766971 0.000481179 -0.000264292 20 6 0.000801643 0.001214064 -0.000921844 21 6 -0.001950802 0.000547649 -0.000010449 22 6 0.000743696 -0.001848217 0.000679974 23 6 0.001589277 0.000960723 -0.001458734 24 6 -0.002214866 0.000077815 -0.000065797 25 1 -0.000107624 -0.000032813 0.000062592 26 1 -0.000040568 -0.000104216 0.000010271 27 6 0.000100115 -0.000328297 -0.000271825 28 1 -0.000066924 -0.000078841 0.000161566 29 1 0.000166493 -0.000132141 0.000008414 30 6 -0.000747798 0.000329211 0.000196109 31 6 0.000026972 0.000243191 0.000389982 32 1 -0.000171569 -0.000445432 -0.000216214 33 1 0.000171353 0.000165437 0.000185700 34 1 0.000292422 0.000234647 -0.000284068 35 1 0.000008210 -0.000118523 0.000196925 36 6 0.000223144 -0.000011578 0.000089417 37 1 0.000505065 0.000262307 -0.000152726 38 1 0.000050590 -0.000011609 0.000065396 39 1 0.000073133 0.000029297 0.000043435 40 1 -0.000091009 -0.000009384 0.000022741 41 6 0.000076942 0.000202817 0.000014115 42 1 -0.000070634 -0.000030880 0.000025455 43 1 0.000034053 -0.000052406 0.000014150 44 1 0.000069864 0.000139982 0.000201001 ------------------------------------------------------------------- Cartesian Forces: Max 0.002214866 RMS 0.000581344 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001731509 RMS 0.000364897 Search for a local minimum. Step number 6 out of a maximum of 246 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 2 3 4 5 6 DE= -5.80D-04 DEPred=-6.96D-04 R= 8.33D-01 TightC=F SS= 1.41D+00 RLast= 4.38D-01 DXNew= 2.1262D+00 1.3131D+00 Trust test= 8.33D-01 RLast= 4.38D-01 DXMaxT set to 1.31D+00 ITU= 1 1 0 1 1 0 Eigenvalues --- 0.00195 0.00230 0.00237 0.00289 0.00300 Eigenvalues --- 0.00361 0.00545 0.01362 0.01421 0.01474 Eigenvalues --- 0.01505 0.01535 0.01699 0.01866 0.01869 Eigenvalues --- 0.01886 0.01887 0.02058 0.02073 0.02107 Eigenvalues --- 0.02198 0.02431 0.02458 0.02467 0.02519 Eigenvalues --- 0.02589 0.02672 0.03407 0.03430 0.03472 Eigenvalues --- 0.03794 0.04723 0.04760 0.04793 0.05233 Eigenvalues --- 0.05387 0.05421 0.05453 0.05495 0.05577 Eigenvalues --- 0.05633 0.08356 0.08370 0.08586 0.08670 Eigenvalues --- 0.09726 0.12228 0.12238 0.12417 0.13118 Eigenvalues --- 0.15228 0.15830 0.15999 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16012 Eigenvalues --- 0.16070 0.16121 0.16243 0.17931 0.20193 Eigenvalues --- 0.21902 0.21926 0.21978 0.22019 0.22344 Eigenvalues --- 0.22948 0.23252 0.23675 0.24130 0.24468 Eigenvalues --- 0.24959 0.24999 0.25012 0.25279 0.26119 Eigenvalues --- 0.27746 0.28280 0.28615 0.28911 0.29642 Eigenvalues --- 0.30354 0.31325 0.31721 0.32847 0.33535 Eigenvalues --- 0.33553 0.33663 0.33690 0.33696 0.33712 Eigenvalues --- 0.33727 0.33742 0.33745 0.33755 0.33769 Eigenvalues --- 0.33785 0.33833 0.33952 0.34315 0.35105 Eigenvalues --- 0.35668 0.37797 0.38166 0.38552 0.38898 Eigenvalues --- 0.39331 0.43522 0.44114 0.48145 0.49486 Eigenvalues --- 0.50755 0.51594 0.52298 0.54713 0.55517 Eigenvalues --- 0.56255 0.57387 0.58292 0.69168 0.89436 Eigenvalues --- 0.92623 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 6 5 RFO step: Lambda=-3.38231568D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.32597 -0.32597 Iteration 1 RMS(Cart)= 0.09648072 RMS(Int)= 0.00146148 Iteration 2 RMS(Cart)= 0.00311392 RMS(Int)= 0.00002965 Iteration 3 RMS(Cart)= 0.00000296 RMS(Int)= 0.00002962 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00002962 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87457 -0.00022 0.00005 -0.00051 -0.00046 2.87411 R2 2.64046 -0.00013 -0.00003 -0.00035 -0.00037 2.64008 R3 2.76528 -0.00039 0.00031 -0.00057 -0.00026 2.76502 R4 2.03674 -0.00010 0.00040 -0.00051 -0.00010 2.03664 R5 2.04726 -0.00010 0.00030 -0.00040 -0.00010 2.04716 R6 2.05305 -0.00013 0.00026 -0.00042 -0.00016 2.05289 R7 2.04999 -0.00012 0.00027 -0.00044 -0.00017 2.04982 R8 1.79207 -0.00094 0.00064 -0.00203 -0.00139 1.79067 R9 2.26102 -0.00051 0.00035 -0.00047 -0.00012 2.26090 R10 2.62377 -0.00043 0.00074 -0.00077 -0.00002 2.62375 R11 2.79140 -0.00055 -0.00133 -0.00125 -0.00258 2.78881 R12 2.57784 -0.00066 -0.00041 -0.00111 -0.00150 2.57633 R13 1.88674 -0.00009 -0.00024 -0.00003 -0.00027 1.88647 R14 2.26523 -0.00082 0.00044 -0.00088 -0.00044 2.26479 R15 2.58989 -0.00061 0.00078 -0.00124 -0.00045 2.58943 R16 2.60119 -0.00055 -0.00057 -0.00081 -0.00139 2.59981 R17 2.53389 0.00024 0.00002 0.00059 0.00059 2.53448 R18 2.01483 -0.00016 0.00015 -0.00046 -0.00031 2.01452 R19 2.83012 0.00015 -0.00155 0.00113 -0.00043 2.82970 R20 2.65207 -0.00105 -0.00242 -0.00177 -0.00420 2.64787 R21 2.62529 0.00082 0.00152 0.00089 0.00241 2.62770 R22 2.59954 0.00070 0.00162 0.00070 0.00232 2.60186 R23 2.02837 -0.00004 0.00012 -0.00016 -0.00003 2.02834 R24 2.63888 -0.00161 -0.00135 -0.00356 -0.00491 2.63397 R25 2.03425 0.00009 -0.00024 0.00032 0.00007 2.03432 R26 2.60874 0.00094 0.00184 0.00102 0.00286 2.61160 R27 2.86371 -0.00054 0.00025 -0.00156 -0.00131 2.86240 R28 2.63066 -0.00151 -0.00167 -0.00308 -0.00475 2.62591 R29 2.03402 -0.00004 -0.00021 -0.00005 -0.00026 2.03376 R30 2.01810 -0.00010 0.00020 -0.00021 -0.00002 2.01808 R31 2.90842 -0.00150 0.00046 -0.00492 -0.00445 2.90396 R32 2.05566 -0.00019 0.00033 -0.00058 -0.00025 2.05541 R33 2.05267 -0.00005 0.00025 -0.00025 -0.00000 2.05266 R34 2.89235 -0.00082 0.00025 -0.00260 -0.00235 2.89000 R35 2.05537 -0.00005 0.00029 -0.00027 0.00001 2.05538 R36 2.05620 0.00011 0.00021 0.00022 0.00044 2.05663 R37 2.89256 -0.00048 -0.00006 -0.00137 -0.00143 2.89112 R38 2.05236 0.00057 0.00003 0.00147 0.00151 2.05386 R39 2.05842 -0.00006 0.00027 -0.00026 0.00001 2.05842 R40 2.05638 -0.00005 0.00029 -0.00024 0.00005 2.05643 R41 2.05636 -0.00005 0.00030 -0.00023 0.00007 2.05644 R42 2.88881 -0.00027 -0.00009 -0.00068 -0.00077 2.88804 R43 2.05293 -0.00008 0.00025 -0.00033 -0.00008 2.05285 R44 2.05319 -0.00006 0.00024 -0.00028 -0.00004 2.05316 R45 2.05228 -0.00021 0.00026 -0.00063 -0.00038 2.05190 A1 1.95300 -0.00002 0.00046 0.00036 0.00081 1.95382 A2 1.94835 -0.00025 -0.00123 -0.00028 -0.00151 1.94684 A3 1.92412 0.00017 0.00073 0.00043 0.00115 1.92527 A4 1.85008 0.00035 -0.00007 0.00170 0.00163 1.85171 A5 1.93516 -0.00012 0.00185 -0.00091 0.00094 1.93610 A6 1.84938 -0.00013 -0.00188 -0.00137 -0.00325 1.84612 A7 1.92368 0.00001 0.00017 0.00005 0.00022 1.92390 A8 1.92419 -0.00013 -0.00017 -0.00062 -0.00079 1.92339 A9 1.93160 0.00001 0.00010 0.00006 0.00016 1.93176 A10 1.88648 0.00003 -0.00027 -0.00010 -0.00037 1.88611 A11 1.90546 0.00002 0.00032 0.00042 0.00074 1.90620 A12 1.89152 0.00006 -0.00016 0.00019 0.00004 1.89156 A13 1.90999 0.00021 0.00014 0.00093 0.00107 1.91106 A14 2.06201 -0.00050 0.00043 -0.00174 -0.00149 2.06052 A15 2.22611 0.00034 -0.00046 0.00132 0.00066 2.22678 A16 1.99501 0.00017 0.00004 0.00078 0.00070 1.99571 A17 2.25434 -0.00003 -0.00105 0.00006 -0.00092 2.25341 A18 2.01350 0.00010 -0.00027 0.00058 0.00027 2.01377 A19 2.01531 -0.00007 0.00131 -0.00065 0.00062 2.01593 A20 2.14060 0.00043 0.00033 0.00139 0.00154 2.14214 A21 1.98328 0.00008 0.00083 -0.00010 0.00066 1.98394 A22 2.15930 -0.00051 -0.00107 -0.00119 -0.00244 2.15686 A23 2.06088 -0.00059 -0.00021 -0.00172 -0.00203 2.05885 A24 2.10449 0.00047 0.00043 0.00130 0.00163 2.10611 A25 2.11774 0.00011 -0.00024 0.00025 -0.00002 2.11772 A26 2.19351 -0.00010 -0.00078 0.00022 -0.00054 2.19297 A27 1.96327 -0.00002 0.00272 -0.00096 0.00174 1.96502 A28 2.12624 0.00012 -0.00199 0.00083 -0.00118 2.12506 A29 2.02234 -0.00022 0.00115 -0.00103 0.00013 2.02247 A30 2.13295 0.00012 -0.00078 0.00050 -0.00030 2.13265 A31 2.12789 0.00009 -0.00036 0.00055 0.00017 2.12805 A32 2.10987 0.00017 0.00083 0.00063 0.00144 2.11131 A33 2.13821 -0.00017 -0.00192 -0.00029 -0.00222 2.13599 A34 2.03510 0.00000 0.00110 -0.00032 0.00077 2.03587 A35 2.12576 0.00005 -0.00041 0.00039 -0.00002 2.12574 A36 2.11292 0.00009 0.00028 0.00056 0.00084 2.11376 A37 2.04451 -0.00015 0.00013 -0.00095 -0.00082 2.04368 A38 2.12018 -0.00012 -0.00024 -0.00046 -0.00069 2.11949 A39 2.07258 0.00009 -0.00126 0.00070 -0.00056 2.07202 A40 2.09040 0.00003 0.00149 -0.00024 0.00125 2.09165 A41 2.03991 0.00017 0.00041 0.00047 0.00087 2.04078 A42 2.11382 -0.00017 0.00144 -0.00095 0.00048 2.11430 A43 2.12938 -0.00000 -0.00185 0.00056 -0.00130 2.12808 A44 2.13017 0.00001 -0.00024 0.00013 -0.00012 2.13005 A45 2.08965 -0.00017 -0.00102 -0.00086 -0.00189 2.08776 A46 2.06337 0.00017 0.00127 0.00074 0.00201 2.06537 A47 2.11524 -0.00012 -0.00061 -0.00020 -0.00081 2.11443 A48 2.09690 -0.00012 -0.00093 -0.00061 -0.00154 2.09535 A49 2.07105 0.00024 0.00154 0.00081 0.00235 2.07340 A50 2.00885 -0.00173 0.00196 -0.00817 -0.00621 2.00263 A51 1.89682 0.00086 0.00046 0.00541 0.00587 1.90269 A52 1.90373 0.00033 -0.00012 -0.00061 -0.00074 1.90300 A53 1.89505 0.00025 0.00027 0.00115 0.00142 1.89648 A54 1.89920 0.00058 -0.00033 0.00122 0.00087 1.90007 A55 1.85403 -0.00020 -0.00260 0.00176 -0.00085 1.85318 A56 1.99751 -0.00166 0.00155 -0.00809 -0.00656 1.99095 A57 1.91469 0.00034 0.00103 -0.00400 -0.00302 1.91167 A58 1.88172 0.00060 -0.00073 0.00675 0.00603 1.88775 A59 1.91282 0.00029 0.00100 -0.00423 -0.00328 1.90954 A60 1.89982 0.00072 -0.00071 0.00754 0.00684 1.90666 A61 1.85134 -0.00018 -0.00249 0.00320 0.00072 1.85206 A62 1.97191 -0.00023 0.00051 -0.00064 -0.00014 1.97178 A63 1.91527 -0.00002 0.00054 -0.00119 -0.00065 1.91462 A64 1.90533 0.00004 0.00054 0.00009 0.00063 1.90596 A65 1.90712 0.00012 0.00035 0.00032 0.00067 1.90778 A66 1.90502 0.00015 0.00038 0.00141 0.00179 1.90681 A67 1.85554 -0.00005 -0.00250 0.00006 -0.00244 1.85310 A68 1.91028 0.00003 0.00051 -0.00053 -0.00001 1.91027 A69 1.90708 0.00012 0.00040 0.00065 0.00105 1.90812 A70 1.97216 -0.00029 0.00061 -0.00093 -0.00032 1.97183 A71 1.85503 -0.00007 -0.00234 -0.00015 -0.00248 1.85254 A72 1.90811 0.00014 0.00037 0.00048 0.00085 1.90896 A73 1.90751 0.00009 0.00027 0.00052 0.00079 1.90830 A74 1.93935 0.00006 -0.00001 0.00037 0.00036 1.93971 A75 1.93957 0.00005 0.00001 0.00033 0.00034 1.93992 A76 1.94318 -0.00022 -0.00016 -0.00125 -0.00141 1.94177 A77 1.87842 -0.00001 0.00005 0.00033 0.00038 1.87880 A78 1.88057 0.00007 0.00006 0.00010 0.00016 1.88073 A79 1.87989 0.00007 0.00006 0.00016 0.00022 1.88011 D1 -3.12415 -0.00013 -0.00034 -0.00240 -0.00274 -3.12689 D2 1.07787 -0.00010 -0.00000 -0.00192 -0.00192 1.07594 D3 -1.01459 -0.00008 0.00024 -0.00180 -0.00156 -1.01615 D4 -1.05381 0.00013 -0.00095 -0.00019 -0.00114 -1.05495 D5 -3.13498 0.00016 -0.00061 0.00029 -0.00032 -3.13530 D6 1.05575 0.00017 -0.00037 0.00041 0.00004 1.05579 D7 0.99675 -0.00008 -0.00359 -0.00179 -0.00539 0.99136 D8 -1.08442 -0.00005 -0.00325 -0.00131 -0.00457 -1.08899 D9 3.10630 -0.00004 -0.00301 -0.00119 -0.00420 3.10210 D10 -1.08420 -0.00007 -0.00114 0.00040 -0.00075 -1.08495 D11 3.07123 0.00002 0.00014 -0.00058 -0.00044 3.07078 D12 1.07188 0.00005 0.00149 0.00054 0.00203 1.07391 D13 1.64903 -0.00019 -0.00343 -0.00924 -0.01266 1.63637 D14 -1.47989 0.00009 0.00252 0.00554 0.00806 -1.47183 D15 -2.50343 -0.00013 -0.00363 -0.00786 -0.01149 -2.51492 D16 0.65083 0.00015 0.00232 0.00691 0.00923 0.66007 D17 -0.44605 -0.00017 -0.00244 -0.00875 -0.01119 -0.45724 D18 2.70821 0.00011 0.00351 0.00603 0.00954 2.71775 D19 3.14099 -0.00031 0.00355 -0.01780 -0.01422 3.12677 D20 0.00954 -0.00026 0.00526 -0.01574 -0.01046 -0.00092 D21 -0.01033 0.00038 -0.00406 0.01848 0.01443 0.00409 D22 3.14141 0.00044 -0.00235 0.02054 0.01819 -3.12359 D23 3.13171 0.00048 -0.00855 0.02749 0.01896 -3.13252 D24 -0.00522 0.00041 -0.00425 0.02463 0.02039 0.01517 D25 0.00094 -0.00029 -0.00008 -0.01285 -0.01293 -0.01200 D26 -3.13599 -0.00035 0.00422 -0.01571 -0.01150 3.13569 D27 -3.12583 0.00047 -0.00228 0.01988 0.01761 -3.10823 D28 0.01881 -0.00031 0.00664 -0.01522 -0.00858 0.01023 D29 0.00560 0.00042 -0.00400 0.01782 0.01384 0.01944 D30 -3.13294 -0.00036 0.00493 -0.01728 -0.01234 3.13790 D31 3.13617 0.00043 0.00083 0.02156 0.02235 -3.12467 D32 -0.01820 0.00015 -0.00517 0.00667 0.00150 -0.01670 D33 -0.00234 -0.00036 0.00989 -0.01398 -0.00409 -0.00643 D34 3.12648 -0.00064 0.00389 -0.02887 -0.02495 3.10153 D35 3.14013 -0.00042 -0.00431 -0.01938 -0.02371 3.11642 D36 -0.02096 -0.00029 -0.00815 -0.01352 -0.02169 -0.04266 D37 0.01163 -0.00013 0.00183 -0.00410 -0.00226 0.00936 D38 3.13372 0.00001 -0.00200 0.00176 -0.00025 3.13347 D39 -0.00211 0.00020 0.00099 0.00722 0.00821 0.00610 D40 3.13484 0.00026 -0.00330 0.01007 0.00678 -3.14157 D41 -3.12249 0.00005 0.00514 0.00087 0.00599 -3.11650 D42 0.01445 0.00011 0.00086 0.00372 0.00456 0.01901 D43 -3.13082 0.00001 -0.00719 -0.02023 -0.02741 3.12496 D44 0.00545 0.00009 -0.01174 -0.01478 -0.02651 -0.02106 D45 0.01572 -0.00006 -0.00262 -0.02326 -0.02589 -0.01017 D46 -3.13120 0.00002 -0.00718 -0.01781 -0.02499 3.12700 D47 3.13937 0.00006 -0.00194 0.00314 0.00119 3.14056 D48 0.00079 0.00004 0.00041 0.00057 0.00097 0.00175 D49 0.00280 -0.00001 0.00235 -0.00200 0.00035 0.00314 D50 -3.13578 -0.00003 0.00469 -0.00457 0.00012 -3.13566 D51 -3.14041 -0.00002 0.00074 -0.00146 -0.00072 -3.14113 D52 0.00082 -0.00002 0.00069 -0.00129 -0.00061 0.00022 D53 -0.00393 0.00005 -0.00363 0.00378 0.00015 -0.00378 D54 3.13730 0.00005 -0.00368 0.00394 0.00026 3.13756 D55 0.00217 -0.00005 -0.00037 -0.00190 -0.00228 -0.00010 D56 -3.13174 -0.00005 0.00095 -0.00239 -0.00145 -3.13319 D57 3.14086 -0.00002 -0.00263 0.00057 -0.00206 3.13880 D58 0.00695 -0.00003 -0.00131 0.00008 -0.00123 0.00571 D59 -0.00587 0.00006 -0.00038 0.00393 0.00355 -0.00232 D60 -3.13438 -0.00005 -0.00001 -0.00329 -0.00330 -3.13768 D61 3.12797 0.00006 -0.00172 0.00443 0.00271 3.13067 D62 -0.00054 -0.00004 -0.00135 -0.00279 -0.00415 -0.00469 D63 0.00474 -0.00002 -0.00093 -0.00214 -0.00308 0.00167 D64 -3.13744 -0.00002 -0.00034 -0.00188 -0.00223 -3.13967 D65 3.13313 0.00009 -0.00128 0.00514 0.00385 3.13698 D66 -0.00906 0.00009 -0.00070 0.00540 0.00470 -0.00436 D67 -1.14835 -0.00022 -0.02108 -0.04365 -0.06472 -1.21307 D68 0.98075 -0.00043 -0.01904 -0.04367 -0.06271 0.91804 D69 2.99499 -0.00002 -0.02194 -0.03897 -0.06091 2.93407 D70 2.00700 -0.00034 -0.02070 -0.05124 -0.07194 1.93506 D71 -2.14708 -0.00055 -0.01866 -0.05126 -0.06992 -2.21701 D72 -0.13285 -0.00014 -0.02156 -0.04656 -0.06813 -0.20098 D73 0.00015 -0.00003 0.00306 -0.00176 0.00130 0.00145 D74 -3.14109 -0.00004 0.00311 -0.00192 0.00118 -3.13990 D75 -3.14086 -0.00004 0.00249 -0.00201 0.00046 -3.14040 D76 0.00109 -0.00004 0.00254 -0.00218 0.00035 0.00144 D77 -1.14743 0.00046 -0.04323 0.01858 -0.02466 -1.17209 D78 1.01072 -0.00011 -0.03999 0.00393 -0.03605 0.97467 D79 3.01937 0.00019 -0.04280 0.00932 -0.03349 2.98588 D80 3.00571 0.00035 -0.04537 0.01630 -0.02909 2.97662 D81 -1.11933 -0.00023 -0.04213 0.00165 -0.04048 -1.15980 D82 0.88932 0.00007 -0.04494 0.00703 -0.03791 0.85140 D83 0.99484 0.00013 -0.04226 0.01296 -0.02931 0.96553 D84 -3.13019 -0.00044 -0.03902 -0.00169 -0.04070 3.11229 D85 -1.12155 -0.00014 -0.04183 0.00369 -0.03814 -1.15969 D86 -3.09846 -0.00033 0.00838 -0.02839 -0.02000 -3.11846 D87 1.05178 -0.00031 0.00719 -0.02749 -0.02029 1.03149 D88 -0.97536 -0.00026 0.00958 -0.02695 -0.01735 -0.99271 D89 1.02557 0.00021 0.00513 -0.01388 -0.00876 1.01680 D90 -1.10738 0.00023 0.00394 -0.01298 -0.00906 -1.11643 D91 -3.13451 0.00028 0.00633 -0.01244 -0.00612 -3.14064 D92 -0.99207 -0.00013 0.00795 -0.01959 -0.01164 -1.00371 D93 -3.12501 -0.00012 0.00676 -0.01869 -0.01193 -3.13694 D94 1.13104 -0.00007 0.00915 -0.01815 -0.00900 1.12204 D95 1.00770 0.00003 -0.00159 0.00151 -0.00008 1.00762 D96 -1.01700 0.00003 0.00070 0.00162 0.00232 -1.01469 D97 3.13848 0.00003 -0.00033 0.00111 0.00078 3.13926 D98 -3.13798 -0.00006 -0.00030 -0.00022 -0.00052 -3.13850 D99 1.12050 -0.00006 0.00199 -0.00012 0.00188 1.12238 D100 -1.00720 -0.00006 0.00096 -0.00062 0.00033 -1.00687 D101 -1.11558 0.00003 -0.00288 0.00081 -0.00207 -1.11764 D102 -3.14028 0.00003 -0.00059 0.00092 0.00033 -3.13995 D103 1.01520 0.00003 -0.00163 0.00041 -0.00121 1.01399 D104 1.04361 0.00006 -0.00050 0.00082 0.00032 1.04393 D105 -1.04760 -0.00000 -0.00056 -0.00007 -0.00063 -1.04823 D106 3.13995 0.00003 -0.00054 0.00035 -0.00019 3.13977 D107 -3.10759 -0.00000 0.00084 -0.00014 0.00070 -3.10689 D108 1.08439 -0.00006 0.00078 -0.00103 -0.00025 1.08413 D109 -1.01124 -0.00003 0.00080 -0.00061 0.00019 -1.01105 D110 -1.08385 0.00003 -0.00161 0.00024 -0.00136 -1.08521 D111 3.10813 -0.00002 -0.00167 -0.00064 -0.00231 3.10582 D112 1.01250 0.00000 -0.00165 -0.00022 -0.00187 1.01063 Item Value Threshold Converged? Maximum Force 0.001732 0.000450 NO RMS Force 0.000365 0.000300 NO Maximum Displacement 0.356541 0.001800 NO RMS Displacement 0.097642 0.001200 NO Predicted change in Energy=-1.767512D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.905845 -5.110540 1.982297 2 6 0 7.287216 -4.608104 3.366239 3 8 0 6.494672 -6.445517 2.006469 4 8 0 2.810812 -2.168385 -0.077723 5 6 0 3.628488 -2.888423 0.416606 6 7 0 4.968174 -2.626231 0.163180 7 6 0 6.073742 -3.282347 0.616960 8 8 0 7.189061 -2.934471 0.349770 9 7 0 5.786261 -4.351290 1.424646 10 6 0 4.488321 -4.682105 1.738690 11 6 0 3.392104 -4.040333 1.308314 12 1 0 7.724694 -4.972272 1.295346 13 1 0 7.586865 -3.568188 3.317826 14 1 0 8.123168 -5.181762 3.756426 15 1 0 5.146379 -1.840032 -0.425625 16 1 0 4.425319 -5.540143 2.368162 17 6 0 2.014346 -4.473578 1.703692 18 1 0 6.453681 -4.707878 4.053172 19 1 0 7.210226 -6.991491 2.302795 20 6 0 1.818640 -5.583498 2.536230 21 6 0 0.559732 -5.995996 2.911323 22 6 0 -0.583630 -5.326246 2.478959 23 6 0 -0.394333 -4.229225 1.660039 24 6 0 0.872225 -3.805050 1.276874 25 1 0 2.650349 -6.148604 2.911731 26 1 0 0.467106 -6.850772 3.559139 27 6 0 -1.965192 -5.782884 2.899833 28 1 0 -1.247276 -3.678937 1.302385 29 1 0 0.958504 -2.949495 0.643595 30 6 0 -2.413879 -7.120407 2.290575 31 6 0 -2.636551 -7.073549 0.778277 32 1 0 -1.995862 -5.866548 3.983855 33 1 0 -2.687676 -5.016275 2.634867 34 1 0 -1.681978 -7.890232 2.524456 35 1 0 -3.337625 -7.423158 2.779945 36 6 0 -3.113370 -8.408695 0.203235 37 1 0 -1.716669 -6.776337 0.281547 38 1 0 -3.369127 -6.301083 0.547757 39 1 0 -4.036175 -8.706967 0.696876 40 1 0 -2.383112 -9.181712 0.434300 41 6 0 -3.339038 -8.361050 -1.307547 42 1 0 -2.424473 -8.099459 -1.832178 43 1 0 -4.091345 -7.621837 -1.568401 44 1 0 -3.674619 -9.321896 -1.685915 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520915 0.000000 3 O 1.397072 2.419336 0.000000 4 O 5.446949 6.152341 6.017353 0.000000 5 C 4.257965 5.004391 4.836899 1.196415 0.000000 6 N 3.638070 4.423276 4.507200 2.218528 1.388427 7 C 2.428751 3.284613 3.480454 3.517131 2.484872 8 O 2.735075 3.451053 3.943891 4.465278 3.561499 9 N 1.463183 2.467510 2.286078 3.984405 2.795015 10 C 2.467251 3.238550 2.684543 3.525929 2.388412 11 C 3.734431 4.441770 3.987262 2.400664 1.475776 12 H 1.077745 2.147697 2.046730 5.821798 4.679051 13 H 2.150878 1.083310 3.345380 6.024938 4.954584 14 H 2.152784 1.086345 2.703965 7.211260 6.051112 15 H 4.426064 5.159811 5.379914 2.384056 2.027923 16 H 2.546853 3.171011 2.287519 4.467408 3.387496 17 C 4.940659 5.530400 4.904441 3.020217 2.602837 18 H 2.157571 1.084717 2.685156 6.064966 4.951438 19 H 1.932185 2.611009 0.947583 6.948673 5.763828 20 C 5.139084 5.616550 4.784244 4.413633 3.877084 21 C 6.474586 6.884201 6.020327 5.352790 5.029699 22 C 7.509024 7.953189 7.181808 5.294426 5.285661 23 C 7.360242 7.877872 7.245022 4.188058 4.418932 24 C 6.213413 6.794296 6.254301 2.876061 3.029397 25 H 4.477798 4.907164 3.960615 4.980434 4.220329 26 H 6.853627 7.181968 6.237512 6.375302 5.964063 27 C 8.943669 9.338346 8.532671 6.688846 6.770049 28 H 8.305730 8.829518 8.251512 4.544727 5.018225 29 H 6.467852 7.086351 6.687956 2.135762 2.680311 30 C 9.538965 10.078688 8.938594 7.578176 7.611283 31 C 9.816333 10.547849 9.234831 7.380185 7.542996 32 H 9.155226 9.388326 8.736957 7.299106 7.295738 33 H 9.616152 10.009994 9.314136 6.760325 7.024412 34 H 9.042751 9.587879 8.319442 7.726321 7.593561 35 H 10.531530 11.007067 9.911009 8.578006 8.641523 36 C 10.697082 11.516131 9.970967 8.609085 8.716167 37 H 8.945120 9.761481 8.397077 6.469960 6.610961 38 H 10.442717 11.152025 9.972122 7.460701 7.786530 39 H 11.589409 12.334722 10.850249 9.499173 9.627100 40 H 10.259408 11.091862 9.421970 8.742183 8.703167 41 C 11.240397 12.200253 10.552432 8.813752 9.026005 42 H 10.513738 11.555518 9.849968 8.103330 8.297605 43 H 11.825915 12.763421 11.235087 8.921997 9.270452 44 H 11.964009 12.957852 11.194719 9.788760 9.957185 6 7 8 9 10 6 N 0.000000 7 C 1.363337 0.000000 8 O 2.249927 1.198476 0.000000 9 N 2.288316 1.370270 2.265079 0.000000 10 C 2.634218 2.393984 3.503901 1.375758 0.000000 11 C 2.407283 2.871184 4.069229 2.417068 1.341189 12 H 3.792639 2.457986 2.309470 2.039573 3.279461 13 H 4.206734 3.109006 3.060914 2.727554 3.651774 14 H 5.421821 4.202876 4.186667 3.404118 4.187246 15 H 0.998278 2.006804 2.443683 3.184238 3.632448 16 H 3.694255 3.298735 4.301361 2.038568 1.066037 17 C 3.809326 4.367919 5.565935 3.784200 2.482995 18 H 4.655322 3.739524 4.171443 2.735279 3.036467 19 H 5.353526 4.229820 4.502684 3.125617 3.613896 20 C 4.929134 5.204305 6.374902 4.300695 2.928443 21 C 6.192088 6.559900 7.738378 5.677312 4.305251 22 C 6.593591 7.208687 8.406472 6.529750 5.166005 23 C 5.793674 6.619712 7.803913 6.186280 4.904243 24 C 4.405306 5.269202 6.443590 4.946511 3.749486 25 H 5.033284 5.020062 6.123251 3.908415 2.627696 26 H 7.045487 7.268043 8.415589 6.252750 4.918061 27 C 8.094769 8.722881 9.920516 8.019393 6.648895 28 H 6.406074 7.363722 8.522528 7.066658 5.838988 29 H 4.051265 5.126126 6.237500 5.087466 4.081762 30 C 8.900456 9.464217 10.653884 8.698284 7.340998 31 C 8.831128 9.500971 10.670438 8.875374 7.576622 32 H 8.578753 9.117707 10.303711 8.331087 6.963354 33 H 8.392472 9.156468 10.349180 8.585712 7.239457 34 H 8.803968 9.220757 10.391543 8.337164 6.998722 35 H 9.942045 10.507077 11.698940 9.722064 8.357214 36 C 9.937295 10.528706 11.667420 9.856867 8.604115 37 H 7.869213 8.544646 9.699310 7.967527 6.709022 38 H 9.119376 9.913896 11.083709 9.401689 8.110419 39 H 10.878348 11.473592 12.627277 10.769486 9.484299 40 H 9.853387 10.312820 11.430734 9.542139 8.316519 41 C 10.201027 10.867262 11.959738 10.335093 9.169610 42 H 9.412167 10.070874 11.129153 9.595407 8.498007 43 H 10.489487 11.266587 12.365208 10.826907 9.653473 44 H 11.088234 11.696578 12.765687 11.130623 9.994457 11 12 13 14 15 11 C 0.000000 12 H 4.431707 0.000000 13 H 4.675155 2.465943 0.000000 14 H 5.447851 2.501916 1.756023 0.000000 15 H 3.305352 4.406857 4.791234 6.125193 0.000000 16 H 2.107188 3.515578 3.845236 3.966082 4.692121 17 C 1.497412 5.746610 5.871808 6.483283 4.612937 18 H 4.165707 3.048111 1.767408 1.760628 5.476605 19 H 4.927107 2.314493 3.590424 2.494318 6.183953 20 C 2.522880 6.065878 6.159934 6.434077 5.818932 21 C 3.796917 7.415934 7.445810 7.653936 7.031684 22 C 4.339406 8.399672 8.399491 8.801201 7.309125 23 C 3.807426 8.161110 8.178309 8.823264 6.384178 24 C 2.531034 6.951193 7.021963 7.785865 5.002818 25 H 2.750627 5.453938 5.585038 5.621392 5.994322 26 H 4.639007 7.831099 7.843759 7.838354 7.929783 27 C 5.854061 9.855220 9.814346 10.142490 8.785169 28 H 4.653438 9.064712 9.061804 9.802348 6.873602 29 H 2.748488 7.092090 7.174222 8.124355 4.462335 30 C 6.645383 10.411322 10.662475 10.813714 9.613407 31 C 6.769492 10.584807 11.102031 11.323418 9.455849 32 H 6.286792 10.125069 9.876978 10.144724 9.309562 33 H 6.298883 10.498272 10.398537 10.870126 8.990414 34 H 6.484368 9.925256 10.257727 10.246680 9.588241 35 H 7.674533 11.427414 11.597180 11.718667 10.650131 36 C 7.913594 11.422143 12.150152 12.218758 10.571956 37 H 5.885535 9.665494 10.298881 10.556507 8.483432 38 H 7.169636 11.198102 11.626510 11.984209 9.662416 39 H 8.793785 12.354115 12.975803 13.024497 11.521028 40 H 7.781439 10.983102 11.799441 11.722544 10.551444 41 C 8.415438 11.860230 12.796131 12.928027 10.737959 42 H 7.757046 11.070967 12.135973 12.288131 9.923538 43 H 8.780927 12.443474 13.292399 13.546294 10.957680 44 H 9.316592 12.559916 13.600132 13.636259 11.635146 16 17 18 19 20 16 H 0.000000 17 C 2.718800 0.000000 18 H 2.765173 5.028186 0.000000 19 H 3.141081 5.804824 2.975074 0.000000 20 C 2.612451 1.401194 4.954940 5.577287 0.000000 21 C 3.930087 2.427350 6.140171 6.752065 1.376843 22 C 5.014738 2.842105 7.237698 7.971716 2.416684 23 C 5.044699 2.421435 7.269903 8.116191 2.738433 24 C 4.101942 1.390519 6.298855 7.167717 2.375828 25 H 1.953512 2.160918 4.224206 4.676937 1.073352 26 H 4.336314 3.389349 6.377707 6.860602 2.116357 27 C 6.417182 4.356806 8.565235 9.273914 3.806487 28 H 6.064511 3.380928 8.241983 9.138006 3.814389 29 H 4.658798 2.135752 6.701798 7.627234 3.355574 30 C 7.019820 5.192235 9.357385 9.624976 4.509617 31 C 7.399262 5.408057 9.947545 9.964432 5.015913 32 H 6.629371 4.818846 8.528898 9.425683 4.089763 33 H 7.137245 4.823963 9.255869 10.098525 4.542946 34 H 6.545718 5.099999 8.868670 8.940255 4.192313 35 H 7.998663 6.204993 10.240290 10.567458 5.480038 36 C 8.351486 6.635509 10.956575 10.629828 6.144048 37 H 6.603495 4.609302 9.233542 9.155391 4.359458 38 H 8.040291 5.801529 10.550535 10.746140 5.601953 39 H 9.187972 7.452789 11.717274 11.489271 6.886083 40 H 7.959621 6.566241 10.545157 10.016011 5.917768 41 C 9.041769 7.269025 11.746503 11.233754 7.006502 42 H 8.432828 6.734426 11.178631 10.542913 6.589162 43 H 9.610595 7.609047 12.300034 11.962818 7.478686 44 H 9.815609 8.207310 12.522330 11.824570 7.872612 21 22 23 24 25 21 C 0.000000 22 C 1.393837 0.000000 23 C 2.365889 1.381998 0.000000 24 C 2.751239 2.424574 1.389572 0.000000 25 H 2.096179 3.364845 3.810621 3.365520 0.000000 26 H 1.076517 2.143599 3.349801 3.827438 2.383008 27 C 2.533928 1.514716 2.533484 3.820571 4.630022 28 H 3.350033 2.130347 1.076218 2.123403 4.886791 29 H 3.818740 3.375749 2.121564 1.067923 4.270957 30 C 3.239134 2.569885 3.582607 4.776783 5.193904 31 C 3.990894 3.187455 3.727630 4.821120 5.775678 32 H 2.774553 2.133316 3.262797 4.450106 4.776639 33 H 3.403225 2.132463 2.613266 3.998013 5.463820 34 H 2.960248 2.789707 3.975955 4.976860 4.685329 35 H 4.152523 3.474496 4.485350 5.750893 6.123536 36 C 5.162029 4.591295 5.194556 6.183140 6.757545 37 H 3.564640 2.866210 3.183802 4.064677 5.136415 38 H 4.595156 3.526874 3.791987 4.975024 6.468826 39 H 5.777154 5.150258 5.851570 6.961148 7.494024 40 H 4.994474 4.720528 5.475839 6.341581 6.377549 41 C 6.212307 5.580317 5.877911 6.720946 7.653103 42 H 5.985887 5.446587 5.594262 6.243106 7.215561 43 H 6.659115 5.827085 5.966619 6.877535 8.227541 44 H 7.079968 6.547183 6.920331 7.738702 8.438800 26 27 28 29 30 26 H 0.000000 27 C 2.736995 0.000000 28 H 4.253538 2.737488 0.000000 29 H 4.895082 4.654750 2.414861 0.000000 30 C 3.159435 1.536711 3.765793 5.610883 0.000000 31 C 4.173190 2.572458 3.705154 5.472694 1.529321 32 H 2.686129 1.087678 3.540665 5.328678 2.148045 33 H 3.764613 1.086223 2.374602 4.640191 2.149621 34 H 2.601848 2.159175 4.406522 5.909371 1.087662 35 H 3.925653 2.142066 4.535630 6.560059 1.088324 36 C 5.148691 3.935078 5.202024 6.824730 2.550679 37 H 3.939166 2.811430 3.294894 4.683198 2.154224 38 H 4.907878 2.787800 3.456496 5.474552 2.149699 39 H 5.649562 4.206216 5.781495 7.622213 2.772886 40 H 4.829249 4.219662 5.685441 7.074654 2.774110 41 C 6.360213 5.122152 5.754077 7.180581 3.916836 42 H 6.243937 5.288609 5.545475 6.640491 4.237423 43 H 6.904034 5.278958 5.645937 7.226665 4.237573 44 H 7.125373 6.039523 6.831173 8.215835 4.716831 31 32 33 34 35 31 C 0.000000 32 H 3.484690 0.000000 33 H 2.771627 1.738200 0.000000 34 H 2.151121 2.514690 3.046842 0.000000 35 H 2.149513 2.381756 2.497312 1.739138 0.000000 36 C 1.529917 4.690887 4.195541 2.775923 2.767852 37 H 1.086858 3.822663 3.094962 2.504517 3.047601 38 H 1.089270 3.725782 2.543843 3.046178 2.498541 39 H 2.152586 4.799488 4.381263 3.090201 2.544664 40 H 2.151025 4.872332 4.720818 2.555046 3.083125 41 C 2.549865 6.002133 5.210991 4.201400 4.193714 42 H 2.812818 6.244665 5.434132 4.424401 4.750043 43 H 2.814950 6.188670 5.140691 4.756948 4.417655 44 H 3.493550 6.848646 6.179125 4.873141 4.864430 36 37 38 39 40 36 C 0.000000 37 H 2.149767 0.000000 38 H 2.150845 1.739928 0.000000 39 H 1.088217 3.046299 2.501093 0.000000 40 H 1.088220 2.500662 3.046822 1.739812 0.000000 41 C 1.528287 2.769227 2.772458 2.150202 2.149724 42 H 2.170970 2.592194 3.128996 3.059863 2.511952 43 H 2.171239 3.126702 2.596943 2.512375 3.059752 44 H 2.172056 3.766211 3.769340 2.487278 2.486555 41 42 43 44 41 C 0.000000 42 H 1.086323 0.000000 43 H 1.086483 1.753900 0.000000 44 H 1.085819 1.754597 1.754329 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.419486 -1.544443 0.570564 2 6 0 -5.013686 -2.007603 -0.750644 3 8 0 -3.589198 -2.514137 1.138124 4 8 0 -1.441190 2.962367 -0.127772 5 6 0 -1.995835 1.911291 0.010131 6 7 0 -3.332283 1.922486 0.386308 7 6 0 -4.177330 0.872131 0.589627 8 8 0 -5.330325 1.015446 0.883579 9 7 0 -3.590471 -0.351189 0.397987 10 6 0 -2.273470 -0.460923 0.015652 11 6 0 -1.433605 0.562735 -0.197740 12 1 0 -5.202954 -1.260558 1.254027 13 1 0 -5.639568 -1.230660 -1.172771 14 1 0 -5.629149 -2.889426 -0.596576 15 1 0 -3.732872 2.827693 0.515484 16 1 0 -1.959458 -1.474671 -0.085070 17 6 0 -0.011338 0.346756 -0.613376 18 1 0 -4.229197 -2.257219 -1.456959 19 1 0 -4.095891 -3.291722 1.329274 20 6 0 0.501512 -0.945954 -0.784347 21 6 0 1.805943 -1.164152 -1.167159 22 6 0 2.680994 -0.105314 -1.403655 23 6 0 2.177804 1.171230 -1.238872 24 6 0 0.862677 1.401241 -0.853585 25 1 0 -0.112082 -1.811790 -0.623368 26 1 0 2.145868 -2.178007 -1.291402 27 6 0 4.113377 -0.353021 -1.829433 28 1 0 2.815450 2.020770 -1.411885 29 1 0 0.527758 2.409265 -0.743240 30 6 0 5.010894 -0.964679 -0.742318 31 6 0 5.279139 -0.034343 0.441466 32 1 0 4.116957 -1.011745 -2.694946 33 1 0 4.551635 0.584109 -2.160488 34 1 0 4.566363 -1.889526 -0.381679 35 1 0 5.957571 -1.243374 -1.201209 36 6 0 6.200681 -0.655973 1.492648 37 1 0 4.338306 0.245000 0.908434 38 1 0 5.723263 0.890909 0.076541 39 1 0 7.144770 -0.933713 1.028137 40 1 0 5.758896 -1.581382 1.856886 41 6 0 6.471411 0.274903 2.674103 42 1 0 5.548806 0.542749 3.181209 43 1 0 6.946669 1.195514 2.346917 44 1 0 7.125741 -0.193991 3.402795 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5293691 0.1058566 0.1005647 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1734.5592999220 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.56D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.996911 0.078458 -0.000545 0.003571 Ang= 9.01 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.111138533 A.U. after 13 cycles NFock= 13 Conv=0.34D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000222026 0.000491051 -0.000036471 2 6 0.000150681 -0.000009482 0.000043068 3 8 0.000142211 0.000165197 -0.000026871 4 8 0.000261726 -0.000616633 -0.001049698 5 6 0.000225796 0.001950649 0.002249511 6 7 -0.000256604 -0.001121776 -0.001086240 7 6 0.000326250 0.001615589 0.002079028 8 8 -0.000098371 -0.000488611 -0.000796691 9 7 -0.000441305 -0.001151665 -0.000962834 10 6 0.000075508 0.000284256 0.000016002 11 6 0.000034931 -0.000459712 -0.000654729 12 1 0.000081543 -0.000340525 0.000182479 13 1 -0.000065132 -0.000101796 -0.000031287 14 1 -0.000035986 0.000013786 -0.000023688 15 1 0.000062908 0.000013784 -0.000041012 16 1 0.000312845 0.000070820 0.000274800 17 6 0.000388449 -0.000520946 0.000279478 18 1 0.000045533 -0.000008713 -0.000063475 19 1 -0.000105772 0.000073563 -0.000018928 20 6 0.000543653 0.000235915 -0.000384531 21 6 -0.000589078 0.000302154 0.000430742 22 6 -0.000181237 -0.000723814 0.000240960 23 6 0.000399727 0.000394421 -0.000538651 24 6 -0.000924145 0.000238879 -0.000275562 25 1 -0.000012226 -0.000160734 -0.000147063 26 1 -0.000202726 -0.000121397 0.000077052 27 6 -0.000329585 0.000595007 0.000430547 28 1 -0.000057349 0.000152584 0.000145892 29 1 -0.000064366 -0.000213034 0.000018870 30 6 0.000049165 -0.000577929 0.000014552 31 6 0.000113553 0.000110418 -0.000201128 32 1 0.000475688 -0.000267466 -0.000253282 33 1 -0.000039904 0.000145765 0.000288144 34 1 0.000170885 0.000070096 0.000074696 35 1 -0.000111154 0.000200418 -0.000393792 36 6 -0.000012911 -0.000192053 0.000076145 37 1 0.000109738 -0.000171008 0.000159908 38 1 -0.000220953 -0.000183902 0.000074166 39 1 -0.000077030 0.000160693 -0.000076012 40 1 0.000102455 0.000184295 -0.000109424 41 6 -0.000026619 -0.000040806 -0.000022490 42 1 -0.000048666 -0.000014919 0.000040579 43 1 0.000038947 -0.000036161 0.000013706 44 1 0.000010950 0.000053741 -0.000016466 ------------------------------------------------------------------- Cartesian Forces: Max 0.002249511 RMS 0.000484010 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000890724 RMS 0.000223754 Search for a local minimum. Step number 7 out of a maximum of 246 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 2 3 4 6 7 DE= -1.45D-04 DEPred=-1.77D-04 R= 8.23D-01 TightC=F SS= 1.41D+00 RLast= 2.20D-01 DXNew= 2.2084D+00 6.5879D-01 Trust test= 8.23D-01 RLast= 2.20D-01 DXMaxT set to 1.31D+00 ITU= 1 1 1 0 1 1 0 Eigenvalues --- 0.00148 0.00230 0.00237 0.00289 0.00300 Eigenvalues --- 0.00379 0.00447 0.01361 0.01439 0.01471 Eigenvalues --- 0.01505 0.01551 0.01688 0.01818 0.01875 Eigenvalues --- 0.01884 0.01936 0.02060 0.02082 0.02118 Eigenvalues --- 0.02213 0.02436 0.02457 0.02466 0.02572 Eigenvalues --- 0.02592 0.03182 0.03406 0.03429 0.03762 Eigenvalues --- 0.04629 0.04754 0.04800 0.05102 0.05231 Eigenvalues --- 0.05393 0.05430 0.05449 0.05497 0.05589 Eigenvalues --- 0.05661 0.08364 0.08373 0.08528 0.08659 Eigenvalues --- 0.09709 0.12234 0.12244 0.12372 0.13100 Eigenvalues --- 0.15012 0.15863 0.15999 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16007 0.16010 Eigenvalues --- 0.16053 0.16153 0.16242 0.17945 0.20199 Eigenvalues --- 0.21674 0.21899 0.22002 0.22010 0.22359 Eigenvalues --- 0.22924 0.22966 0.23688 0.24106 0.24384 Eigenvalues --- 0.24935 0.24992 0.25020 0.25076 0.26198 Eigenvalues --- 0.27938 0.28295 0.28620 0.28884 0.29063 Eigenvalues --- 0.29832 0.31185 0.31749 0.32859 0.33535 Eigenvalues --- 0.33554 0.33668 0.33691 0.33696 0.33715 Eigenvalues --- 0.33732 0.33745 0.33746 0.33756 0.33776 Eigenvalues --- 0.33785 0.33826 0.33963 0.34163 0.35180 Eigenvalues --- 0.35595 0.37807 0.38183 0.38549 0.38892 Eigenvalues --- 0.39331 0.43527 0.44298 0.48238 0.49497 Eigenvalues --- 0.50398 0.51618 0.52255 0.54703 0.55971 Eigenvalues --- 0.56510 0.57424 0.59230 0.68521 0.89610 Eigenvalues --- 0.93173 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 7 6 5 RFO step: Lambda=-2.47542703D-04. DidBck=F Rises=F RFO-DIIS coefs: 2.11710 -1.31932 0.20222 Iteration 1 RMS(Cart)= 0.13061468 RMS(Int)= 0.00247952 Iteration 2 RMS(Cart)= 0.00613570 RMS(Int)= 0.00004479 Iteration 3 RMS(Cart)= 0.00001209 RMS(Int)= 0.00004463 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00004463 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87411 -0.00008 -0.00055 -0.00021 -0.00075 2.87336 R2 2.64008 -0.00024 -0.00040 -0.00001 -0.00041 2.63968 R3 2.76502 -0.00014 -0.00049 -0.00055 -0.00104 2.76398 R4 2.03664 -0.00010 -0.00036 -0.00024 -0.00061 2.03604 R5 2.04716 -0.00011 -0.00030 -0.00033 -0.00062 2.04653 R6 2.05289 -0.00004 -0.00033 -0.00021 -0.00055 2.05234 R7 2.04982 -0.00007 -0.00036 -0.00020 -0.00056 2.04926 R8 1.79067 -0.00013 -0.00195 -0.00043 -0.00238 1.78829 R9 2.26090 -0.00012 -0.00035 -0.00003 -0.00039 2.26051 R10 2.62375 -0.00011 -0.00048 -0.00045 -0.00092 2.62283 R11 2.78881 0.00039 -0.00206 0.00024 -0.00183 2.78699 R12 2.57633 -0.00010 -0.00143 0.00021 -0.00120 2.57513 R13 1.88647 0.00005 -0.00015 0.00017 0.00002 1.88649 R14 2.26479 -0.00006 -0.00076 -0.00016 -0.00092 2.26387 R15 2.58943 -0.00005 -0.00099 -0.00025 -0.00124 2.58820 R16 2.59981 -0.00032 -0.00119 0.00001 -0.00120 2.59860 R17 2.53448 0.00015 0.00065 0.00000 0.00063 2.53511 R18 2.01452 0.00009 -0.00044 0.00020 -0.00024 2.01428 R19 2.82970 0.00055 0.00049 -0.00009 0.00039 2.83009 R20 2.64787 -0.00006 -0.00318 0.00017 -0.00302 2.64486 R21 2.62770 0.00089 0.00175 -0.00027 0.00148 2.62918 R22 2.60186 0.00060 0.00159 -0.00022 0.00136 2.60322 R23 2.02834 0.00002 -0.00011 0.00010 -0.00002 2.02832 R24 2.63397 -0.00034 -0.00465 0.00069 -0.00396 2.63001 R25 2.03432 0.00016 0.00023 0.00029 0.00053 2.03485 R26 2.61160 0.00062 0.00206 -0.00028 0.00178 2.61337 R27 2.86240 -0.00017 -0.00162 0.00010 -0.00152 2.86088 R28 2.62591 -0.00010 -0.00427 0.00039 -0.00388 2.62203 R29 2.03376 0.00007 -0.00016 0.00021 0.00006 2.03381 R30 2.01808 -0.00019 -0.00014 0.00016 0.00001 2.01810 R31 2.90396 0.00050 -0.00526 0.00313 -0.00213 2.90183 R32 2.05541 -0.00025 -0.00048 -0.00060 -0.00108 2.05433 R33 2.05266 0.00006 -0.00016 -0.00006 -0.00022 2.05244 R34 2.89000 0.00006 -0.00278 0.00105 -0.00173 2.88827 R35 2.05538 0.00008 -0.00016 0.00009 -0.00007 2.05531 R36 2.05663 -0.00014 0.00035 -0.00066 -0.00030 2.05633 R37 2.89112 -0.00006 -0.00156 0.00033 -0.00124 2.88989 R38 2.05386 -0.00003 0.00166 -0.00078 0.00088 2.05475 R39 2.05842 0.00000 -0.00016 -0.00008 -0.00024 2.05818 R40 2.05643 -0.00001 -0.00012 -0.00014 -0.00027 2.05617 R41 2.05644 -0.00009 -0.00010 -0.00033 -0.00044 2.05600 R42 2.88804 -0.00001 -0.00080 0.00019 -0.00061 2.88743 R43 2.05285 -0.00006 -0.00024 -0.00020 -0.00045 2.05240 R44 2.05316 -0.00005 -0.00019 -0.00021 -0.00040 2.05275 R45 2.05190 -0.00005 -0.00058 -0.00011 -0.00070 2.05120 A1 1.95382 0.00006 0.00062 -0.00004 0.00058 1.95440 A2 1.94684 0.00011 -0.00092 0.00018 -0.00074 1.94610 A3 1.92527 -0.00011 0.00083 -0.00021 0.00062 1.92589 A4 1.85171 -0.00018 0.00187 -0.00097 0.00089 1.85261 A5 1.93610 -0.00006 -0.00010 -0.00044 -0.00054 1.93556 A6 1.84612 0.00020 -0.00247 0.00155 -0.00092 1.84521 A7 1.92390 -0.00005 0.00014 -0.00018 -0.00005 1.92385 A8 1.92339 0.00000 -0.00078 -0.00030 -0.00108 1.92231 A9 1.93176 -0.00003 0.00012 0.00004 0.00016 1.93192 A10 1.88611 0.00004 -0.00024 0.00024 -0.00001 1.88610 A11 1.90620 0.00003 0.00063 0.00013 0.00076 1.90696 A12 1.89156 0.00002 0.00014 0.00009 0.00022 1.89178 A13 1.91106 0.00001 0.00111 0.00011 0.00122 1.91227 A14 2.06052 -0.00036 -0.00194 0.00115 -0.00114 2.05938 A15 2.22678 0.00038 0.00103 0.00017 0.00085 2.22763 A16 1.99571 -0.00000 0.00075 -0.00010 0.00044 1.99614 A17 2.25341 0.00020 -0.00038 0.00047 0.00018 2.25360 A18 2.01377 -0.00005 0.00047 -0.00002 0.00040 2.01417 A19 2.01593 -0.00015 -0.00012 -0.00049 -0.00066 2.01527 A20 2.14214 -0.00003 0.00152 0.00031 0.00162 2.14377 A21 1.98394 -0.00018 0.00022 -0.00055 -0.00041 1.98352 A22 2.15686 0.00022 -0.00206 0.00126 -0.00101 2.15585 A23 2.05885 0.00007 -0.00214 0.00025 -0.00201 2.05684 A24 2.10611 -0.00019 0.00155 -0.00047 0.00096 2.10707 A25 2.11772 0.00012 0.00013 0.00021 0.00028 2.11801 A26 2.19297 0.00020 -0.00012 0.00002 -0.00007 2.19290 A27 1.96502 -0.00041 0.00026 -0.00167 -0.00142 1.96359 A28 2.12506 0.00021 -0.00008 0.00154 0.00145 2.12651 A29 2.02247 -0.00034 -0.00057 -0.00010 -0.00062 2.02185 A30 2.13265 0.00073 0.00015 -0.00041 -0.00028 2.13237 A31 2.12805 -0.00039 0.00041 0.00047 0.00086 2.12892 A32 2.11131 -0.00037 0.00110 -0.00032 0.00079 2.11210 A33 2.13599 0.00058 -0.00128 0.00025 -0.00103 2.13496 A34 2.03587 -0.00021 0.00018 0.00006 0.00024 2.03612 A35 2.12574 0.00009 0.00023 -0.00029 -0.00006 2.12568 A36 2.11376 -0.00001 0.00077 -0.00007 0.00069 2.11446 A37 2.04368 -0.00008 -0.00100 0.00037 -0.00063 2.04305 A38 2.11949 0.00009 -0.00063 0.00035 -0.00027 2.11922 A39 2.07202 0.00015 0.00015 0.00078 0.00093 2.07295 A40 2.09165 -0.00024 0.00047 -0.00111 -0.00064 2.09101 A41 2.04078 -0.00002 0.00072 -0.00024 0.00047 2.04125 A42 2.11430 -0.00044 -0.00035 -0.00132 -0.00170 2.11260 A43 2.12808 0.00046 -0.00030 0.00157 0.00125 2.12933 A44 2.13005 0.00000 0.00002 -0.00012 -0.00009 2.12996 A45 2.08776 -0.00001 -0.00147 0.00045 -0.00102 2.08674 A46 2.06537 0.00001 0.00145 -0.00033 0.00112 2.06649 A47 2.11443 0.00004 -0.00052 0.00024 -0.00028 2.11415 A48 2.09535 0.00002 -0.00115 0.00020 -0.00095 2.09441 A49 2.07340 -0.00007 0.00167 -0.00044 0.00123 2.07463 A50 2.00263 -0.00084 -0.00816 -0.00066 -0.00882 1.99382 A51 1.90269 0.00009 0.00627 -0.00310 0.00318 1.90586 A52 1.90300 0.00026 -0.00075 0.00169 0.00093 1.90392 A53 1.89648 0.00024 0.00142 -0.00030 0.00114 1.89762 A54 1.90007 0.00035 0.00118 0.00222 0.00338 1.90346 A55 1.85318 -0.00005 0.00067 0.00021 0.00086 1.85404 A56 1.99095 0.00007 -0.00830 0.00279 -0.00556 1.98539 A57 1.91167 -0.00016 -0.00401 0.00016 -0.00394 1.90773 A58 1.88775 0.00013 0.00719 -0.00130 0.00593 1.89368 A59 1.90954 0.00002 -0.00428 0.00140 -0.00298 1.90656 A60 1.90666 -0.00019 0.00809 -0.00348 0.00463 1.91129 A61 1.85206 0.00013 0.00235 0.00021 0.00258 1.85465 A62 1.97178 0.00026 -0.00047 0.00079 0.00032 1.97209 A63 1.91462 -0.00017 -0.00106 -0.00050 -0.00156 1.91306 A64 1.90596 -0.00004 0.00037 0.00011 0.00048 1.90644 A65 1.90778 -0.00006 0.00053 -0.00029 0.00024 1.90802 A66 1.90681 -0.00017 0.00177 -0.00127 0.00050 1.90731 A67 1.85310 0.00018 -0.00117 0.00118 0.00000 1.85310 A68 1.91027 -0.00004 -0.00033 0.00017 -0.00016 1.91010 A69 1.90812 -0.00008 0.00092 -0.00069 0.00023 1.90835 A70 1.97183 0.00009 -0.00074 0.00027 -0.00047 1.97136 A71 1.85254 0.00012 -0.00132 0.00093 -0.00040 1.85215 A72 1.90896 -0.00006 0.00072 -0.00035 0.00037 1.90933 A73 1.90830 -0.00003 0.00072 -0.00028 0.00044 1.90874 A74 1.93971 -0.00003 0.00041 -0.00016 0.00024 1.93995 A75 1.93992 -0.00001 0.00038 -0.00005 0.00033 1.94025 A76 1.94177 0.00006 -0.00148 0.00048 -0.00100 1.94077 A77 1.87880 0.00001 0.00039 -0.00009 0.00031 1.87911 A78 1.88073 -0.00001 0.00014 -0.00009 0.00005 1.88078 A79 1.88011 -0.00002 0.00021 -0.00011 0.00009 1.88020 D1 -3.12689 0.00001 -0.00285 0.00207 -0.00078 -3.12767 D2 1.07594 -0.00000 -0.00215 0.00208 -0.00007 1.07588 D3 -1.01615 -0.00000 -0.00189 0.00214 0.00025 -1.01591 D4 -1.05495 -0.00010 -0.00068 0.00093 0.00024 -1.05470 D5 -3.13530 -0.00012 0.00002 0.00094 0.00096 -3.13434 D6 1.05579 -0.00012 0.00028 0.00100 0.00127 1.05707 D7 0.99136 0.00014 -0.00379 0.00283 -0.00096 0.99040 D8 -1.08899 0.00013 -0.00308 0.00284 -0.00025 -1.08923 D9 3.10210 0.00012 -0.00283 0.00290 0.00007 3.10217 D10 -1.08495 0.00008 -0.00013 0.00092 0.00079 -1.08416 D11 3.07078 0.00003 -0.00058 0.00135 0.00077 3.07156 D12 1.07391 -0.00007 0.00134 0.00028 0.00163 1.07554 D13 1.63637 -0.00008 -0.01201 -0.00132 -0.01333 1.62304 D14 -1.47183 -0.00001 0.00744 -0.00092 0.00652 -1.46531 D15 -2.51492 -0.00006 -0.01058 -0.00190 -0.01248 -2.52739 D16 0.66007 0.00001 0.00888 -0.00149 0.00738 0.66745 D17 -0.45724 -0.00012 -0.01098 -0.00213 -0.01311 -0.47034 D18 2.71775 -0.00005 0.00847 -0.00172 0.00675 2.72450 D19 3.12677 0.00041 -0.01809 0.03085 0.01276 3.13953 D20 -0.00092 0.00050 -0.01495 0.03379 0.01886 0.01794 D21 0.00409 -0.00058 0.01864 -0.03271 -0.01406 -0.00997 D22 -3.12359 -0.00049 0.02178 -0.02976 -0.00797 -3.13156 D23 -3.13252 -0.00069 0.02648 -0.05085 -0.02435 3.12632 D24 0.01517 -0.00063 0.02542 -0.04534 -0.01992 -0.00474 D25 -0.01200 0.00040 -0.01440 0.01994 0.00553 -0.00646 D26 3.13569 0.00047 -0.01546 0.02544 0.00997 -3.13752 D27 -3.10823 -0.00028 0.02109 -0.01766 0.00346 -3.10477 D28 0.01023 0.00051 -0.01370 0.03039 0.01668 0.02692 D29 0.01944 -0.00037 0.01794 -0.02060 -0.00263 0.01681 D30 3.13790 0.00042 -0.01685 0.02744 0.01059 -3.13469 D31 -3.12467 -0.00020 0.02445 -0.01554 0.00889 -3.11577 D32 -0.01670 -0.00028 0.00488 -0.01596 -0.01108 -0.02778 D33 -0.00643 0.00059 -0.01071 0.03296 0.02227 0.01583 D34 3.10153 0.00052 -0.03028 0.03253 0.00230 3.10383 D35 3.11642 0.00013 -0.02381 0.00837 -0.01546 3.10096 D36 -0.04266 0.00003 -0.01918 0.00113 -0.01806 -0.06072 D37 0.00936 0.00020 -0.00367 0.00879 0.00514 0.01450 D38 3.13347 0.00010 0.00096 0.00155 0.00254 3.13601 D39 0.00610 -0.00026 0.00856 -0.01060 -0.00205 0.00405 D40 -3.14157 -0.00032 0.00962 -0.01609 -0.00648 3.13513 D41 -3.11650 -0.00014 0.00350 -0.00270 0.00081 -3.11570 D42 0.01901 -0.00020 0.00456 -0.00820 -0.00362 0.01539 D43 3.12496 -0.00024 -0.02616 -0.04348 -0.06965 3.05531 D44 -0.02106 -0.00022 -0.02233 -0.04699 -0.06932 -0.09038 D45 -0.01017 -0.00017 -0.02730 -0.03764 -0.06494 -0.07511 D46 3.12700 -0.00016 -0.02346 -0.04115 -0.06461 3.06239 D47 3.14056 -0.00005 0.00253 -0.00509 -0.00254 3.13801 D48 0.00175 -0.00012 0.00083 -0.00689 -0.00605 -0.00430 D49 0.00314 -0.00006 -0.00107 -0.00178 -0.00285 0.00030 D50 -3.13566 -0.00013 -0.00277 -0.00358 -0.00636 3.14117 D51 -3.14113 0.00008 -0.00127 0.00486 0.00360 -3.13753 D52 0.00022 0.00004 -0.00111 0.00276 0.00166 0.00188 D53 -0.00378 0.00009 0.00241 0.00150 0.00391 0.00013 D54 3.13756 0.00005 0.00257 -0.00060 0.00198 3.13954 D55 -0.00010 0.00005 -0.00231 0.00254 0.00023 0.00012 D56 -3.13319 -0.00005 -0.00221 -0.00073 -0.00293 -3.13613 D57 3.13880 0.00011 -0.00067 0.00427 0.00360 -3.14078 D58 0.00571 0.00002 -0.00057 0.00100 0.00044 0.00616 D59 -0.00232 -0.00006 0.00420 -0.00283 0.00137 -0.00095 D60 -3.13768 -0.00013 -0.00369 -0.00415 -0.00783 3.13767 D61 3.13067 0.00004 0.00409 0.00048 0.00458 3.13525 D62 -0.00469 -0.00003 -0.00379 -0.00084 -0.00463 -0.00932 D63 0.00167 0.00009 -0.00286 0.00258 -0.00028 0.00139 D64 -3.13967 0.00008 -0.00228 0.00262 0.00035 -3.13933 D65 3.13698 0.00015 0.00510 0.00390 0.00901 -3.13720 D66 -0.00436 0.00014 0.00568 0.00394 0.00963 0.00527 D67 -1.21307 -0.00004 -0.05922 -0.01835 -0.07757 -1.29064 D68 0.91804 -0.00024 -0.05824 -0.02155 -0.07980 0.83824 D69 2.93407 -0.00010 -0.05444 -0.02208 -0.07652 2.85755 D70 1.93506 -0.00010 -0.06752 -0.01973 -0.08724 1.84783 D71 -2.21701 -0.00030 -0.06653 -0.02293 -0.08947 -2.30648 D72 -0.20098 -0.00017 -0.06273 -0.02346 -0.08619 -0.28717 D73 0.00145 -0.00011 -0.00045 -0.00201 -0.00246 -0.00101 D74 -3.13990 -0.00007 -0.00061 0.00006 -0.00054 -3.14044 D75 -3.14040 -0.00010 -0.00102 -0.00206 -0.00308 3.13971 D76 0.00144 -0.00005 -0.00118 0.00002 -0.00116 0.00028 D77 -1.17209 -0.00001 -0.00073 0.00659 0.00585 -1.16624 D78 0.97467 -0.00006 -0.01546 0.01053 -0.00491 0.96977 D79 2.98588 0.00009 -0.01085 0.01015 -0.00070 2.98518 D80 2.97662 0.00026 -0.00435 0.01130 0.00693 2.98355 D81 -1.15980 0.00022 -0.01908 0.01524 -0.00382 -1.16363 D82 0.85140 0.00036 -0.01447 0.01486 0.00039 0.85179 D83 0.96553 -0.00000 -0.00653 0.01003 0.00348 0.96901 D84 3.11229 -0.00005 -0.02126 0.01397 -0.00728 3.10502 D85 -1.15969 0.00010 -0.01666 0.01359 -0.00307 -1.16276 D86 -3.11846 -0.00008 -0.02754 0.00240 -0.02512 3.13961 D87 1.03149 -0.00006 -0.02712 0.00259 -0.02451 1.00697 D88 -0.99271 -0.00016 -0.02533 0.00139 -0.02392 -1.01663 D89 1.01680 0.00007 -0.01297 -0.00086 -0.01385 1.00295 D90 -1.11643 0.00009 -0.01256 -0.00067 -0.01325 -1.12968 D91 -3.14064 -0.00001 -0.01077 -0.00187 -0.01265 3.12990 D92 -1.00371 -0.00000 -0.01793 0.00007 -0.01787 -1.02158 D93 -3.13694 0.00002 -0.01752 0.00026 -0.01727 3.12897 D94 1.12204 -0.00008 -0.01573 -0.00094 -0.01667 1.10537 D95 1.00762 0.00006 0.00090 -0.00126 -0.00036 1.00727 D96 -1.01469 -0.00002 0.00215 -0.00207 0.00008 -1.01460 D97 3.13926 0.00002 0.00107 -0.00140 -0.00032 3.13894 D98 -3.13850 -0.00002 -0.00040 -0.00157 -0.00197 -3.14046 D99 1.12238 -0.00010 0.00086 -0.00238 -0.00153 1.12085 D100 -1.00687 -0.00006 -0.00022 -0.00171 -0.00193 -1.00880 D101 -1.11764 0.00007 -0.00052 -0.00103 -0.00155 -1.11919 D102 -3.13995 -0.00001 0.00073 -0.00184 -0.00111 -3.14106 D103 1.01399 0.00002 -0.00035 -0.00117 -0.00151 1.01248 D104 1.04393 -0.00002 0.00067 -0.00049 0.00018 1.04411 D105 -1.04823 -0.00000 -0.00035 -0.00024 -0.00060 -1.04882 D106 3.13977 -0.00001 0.00013 -0.00039 -0.00027 3.13950 D107 -3.10689 -0.00005 0.00026 -0.00034 -0.00009 -3.10698 D108 1.08413 -0.00004 -0.00077 -0.00009 -0.00086 1.08328 D109 -1.01105 -0.00005 -0.00028 -0.00024 -0.00053 -1.01158 D110 -1.08521 0.00005 -0.00053 0.00041 -0.00011 -1.08532 D111 3.10582 0.00006 -0.00155 0.00067 -0.00088 3.10493 D112 1.01063 0.00005 -0.00107 0.00052 -0.00055 1.01008 Item Value Threshold Converged? Maximum Force 0.000891 0.000450 NO RMS Force 0.000224 0.000300 YES Maximum Displacement 0.487477 0.001800 NO RMS Displacement 0.133535 0.001200 NO Predicted change in Energy=-1.306902D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.929958 -5.048350 2.056666 2 6 0 7.282695 -4.413000 3.392286 3 8 0 6.559477 -6.387896 2.196561 4 8 0 2.776344 -2.400548 -0.262395 5 6 0 3.607871 -3.045949 0.305885 6 7 0 4.941489 -2.778001 0.030118 7 6 0 6.059986 -3.365005 0.541338 8 8 0 7.168078 -3.016991 0.247754 9 7 0 5.794238 -4.375913 1.426375 10 6 0 4.503901 -4.709904 1.764664 11 6 0 3.394348 -4.129274 1.283575 12 1 0 7.749955 -4.946555 1.365229 13 1 0 7.551556 -3.373219 3.252958 14 1 0 8.131851 -4.923801 3.836730 15 1 0 5.103986 -2.040990 -0.623323 16 1 0 4.460129 -5.517973 2.458404 17 6 0 2.024784 -4.565386 1.704250 18 1 0 6.446587 -4.477249 4.079863 19 1 0 7.286632 -6.883050 2.545267 20 6 0 1.846830 -5.662615 2.554716 21 6 0 0.594903 -6.075025 2.955063 22 6 0 -0.555860 -5.417300 2.530687 23 6 0 -0.384031 -4.331969 1.691016 24 6 0 0.872727 -3.909493 1.282012 25 1 0 2.685983 -6.221102 2.923468 26 1 0 0.514665 -6.922467 3.614526 27 6 0 -1.927796 -5.880976 2.971968 28 1 0 -1.245489 -3.791259 1.339118 29 1 0 0.946762 -3.064219 0.633548 30 6 0 -2.406268 -7.171499 2.291068 31 6 0 -2.665131 -7.017504 0.792636 32 1 0 -1.924113 -6.034868 4.048118 33 1 0 -2.648196 -5.090980 2.780777 34 1 0 -1.669337 -7.955727 2.448689 35 1 0 -3.316772 -7.505228 2.784734 36 6 0 -3.137967 -8.313059 0.131876 37 1 0 -1.759819 -6.671758 0.299539 38 1 0 -3.411871 -6.240360 0.635589 39 1 0 -4.044623 -8.660206 0.623175 40 1 0 -2.392910 -9.090255 0.288646 41 6 0 -3.400009 -8.157100 -1.365348 42 1 0 -2.501905 -7.844295 -1.889888 43 1 0 -4.168020 -7.412330 -1.553661 44 1 0 -3.731621 -9.092354 -1.805278 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520517 0.000000 3 O 1.396857 2.419300 0.000000 4 O 5.444393 6.141160 6.021420 0.000000 5 C 4.255715 4.989893 4.843061 1.196211 0.000000 6 N 3.635298 4.411195 4.510288 2.217180 1.387941 7 C 2.426257 3.274326 3.482401 3.515462 2.483970 8 O 2.730437 3.442392 3.940970 4.464032 3.560800 9 N 1.462635 2.466107 2.286231 3.982674 2.793654 10 C 2.466894 3.234038 2.688417 3.525131 2.387395 11 C 3.734021 4.432426 3.994115 2.400093 1.474810 12 H 1.077423 2.147550 2.045926 5.819632 4.678822 13 H 2.150247 1.082979 3.344918 6.008864 4.934066 14 H 2.151438 1.086054 2.702977 7.200770 6.038178 15 H 4.422752 5.147652 5.381988 2.382744 2.027740 16 H 2.545976 3.171747 2.287486 4.467238 3.386825 17 C 4.941476 5.524339 4.911960 3.019778 2.601976 18 H 2.157111 1.084420 2.685170 6.052981 4.934556 19 H 1.931857 2.611245 0.946324 6.951150 5.768142 20 C 5.144275 5.640185 4.781563 4.409217 3.873687 21 C 6.480286 6.905075 6.020744 5.349065 5.027069 22 C 7.509880 7.949460 7.188999 5.292040 5.282964 23 C 7.358080 7.853635 7.259112 4.187382 4.416754 24 C 6.211855 6.767161 6.270407 2.878519 3.029777 25 H 4.487540 4.961732 3.944638 4.975391 4.217015 26 H 6.862596 7.221706 6.231865 6.371300 5.961747 27 C 8.943760 9.336207 8.537683 6.686061 6.766756 28 H 8.302596 8.793861 8.270141 4.546874 5.017785 29 H 6.462250 7.040873 6.707638 2.142555 2.681267 30 C 9.577465 10.134002 9.000419 7.492771 7.558504 31 C 9.876289 10.606643 9.352049 7.213808 7.440479 32 H 9.128728 9.371546 8.690465 7.340511 7.317157 33 H 9.605581 9.972772 9.316895 6.776795 7.031758 34 H 9.085945 9.673684 8.380635 7.614071 7.519738 35 H 10.562283 11.058015 9.956640 8.512862 8.601195 36 C 10.757615 11.594435 10.099980 8.372116 8.560319 37 H 9.013056 9.820088 8.537561 6.255860 6.477548 38 H 10.506845 11.194301 10.093868 7.337884 7.719439 39 H 11.642244 12.410273 10.958370 9.300169 9.496379 40 H 10.314008 11.186001 9.544010 8.472132 8.517236 41 C 11.317365 12.278988 10.724209 8.514796 8.833305 42 H 10.599653 11.636733 10.046333 7.755194 8.073097 43 H 11.907476 12.828766 11.410207 8.660804 9.109757 44 H 12.039014 13.047075 11.368179 9.461203 9.740850 6 7 8 9 10 6 N 0.000000 7 C 1.362702 0.000000 8 O 2.249929 1.197987 0.000000 9 N 2.286927 1.369616 2.263461 0.000000 10 C 2.632942 2.393049 3.502115 1.375121 0.000000 11 C 2.406396 2.870653 4.068309 2.416753 1.341524 12 H 3.791125 2.456845 2.304463 2.038185 3.279088 13 H 4.189682 3.094792 3.050444 2.725797 3.645538 14 H 5.410468 4.193099 4.176785 3.402121 4.183447 15 H 0.998286 2.005839 2.443733 3.182700 3.631211 16 H 3.692659 3.296962 4.298241 2.036966 1.065911 17 C 3.808495 4.367624 5.565284 3.784428 2.484061 18 H 4.642543 3.729304 4.163889 2.734379 3.031221 19 H 5.355100 4.230488 4.498782 3.124884 3.616006 20 C 4.926613 5.204170 6.374722 4.302416 2.931188 21 C 6.190192 6.560290 7.738716 5.679520 4.308233 22 C 6.590872 7.206861 8.404314 6.528991 5.166080 23 C 5.790904 6.616807 7.800418 6.184090 4.903074 24 C 4.404809 5.268086 6.441871 4.945671 3.749538 25 H 5.031275 5.021527 6.124945 3.912449 2.632750 26 H 7.044243 7.269842 8.417589 6.256743 4.922543 27 C 8.091354 8.720249 9.917594 8.017722 6.647986 28 H 6.404598 7.361258 8.519313 7.064502 5.837849 29 H 4.050172 5.122893 6.233445 5.084008 4.079331 30 C 8.854618 9.446079 10.634998 8.706968 7.354385 31 C 8.741596 9.462113 10.629817 8.884850 7.593740 32 H 8.595813 9.119842 10.306226 8.318570 6.949032 33 H 8.397578 9.155682 10.347795 8.580233 7.233961 34 H 8.738499 9.189948 10.360267 8.340572 7.008004 35 H 9.906234 10.492753 11.683862 9.728734 8.367635 36 C 9.794123 10.452428 11.587767 9.846884 8.605049 37 H 7.755093 8.493670 9.647142 7.975239 6.725299 38 H 9.062735 9.899123 11.066881 9.426237 8.141041 39 H 10.756499 11.408285 12.558323 10.761202 9.486050 40 H 9.680124 10.212433 11.326902 9.515715 8.302536 41 C 10.023105 10.774560 11.862011 10.325952 9.173437 42 H 9.206404 9.963979 11.017302 9.584011 8.500675 43 H 10.342559 11.197409 12.291103 10.832683 9.670398 44 H 10.884051 11.583812 12.646280 11.109922 9.988702 11 12 13 14 15 11 C 0.000000 12 H 4.432372 0.000000 13 H 4.661810 2.465415 0.000000 14 H 5.440019 2.500935 1.755516 0.000000 15 H 3.304551 4.404293 4.773992 6.113153 0.000000 16 H 2.108221 3.513474 3.845544 3.966657 4.690523 17 C 1.497620 5.747852 5.862165 6.478596 4.612121 18 H 4.154092 3.047663 1.767375 1.760294 5.464239 19 H 4.932041 2.314556 3.590255 2.494179 6.184615 20 C 2.522250 6.064198 6.186500 6.456849 5.815941 21 C 3.796934 7.415914 7.468837 7.675171 7.029233 22 C 4.338023 8.400384 8.392267 8.799182 7.306238 23 C 3.805685 8.163674 8.144471 8.801966 6.381464 24 C 2.531182 6.955479 6.984196 7.762106 5.002516 25 H 2.750777 5.449439 5.647372 5.672259 5.991644 26 H 4.639810 7.830260 7.889597 7.878170 7.927803 27 C 5.851867 9.854624 9.809481 10.142016 8.781661 28 H 4.652465 9.069366 9.012522 9.770119 6.872442 29 H 2.747281 7.096617 7.111969 8.083559 4.461976 30 C 6.627014 10.438219 10.700955 10.885457 9.550901 31 C 6.730541 10.634412 11.122711 11.411614 9.334335 32 H 6.289675 10.098014 9.874460 10.119366 9.336359 33 H 6.299113 10.495054 10.354159 10.832931 8.999259 34 H 6.452917 9.947465 10.328171 10.352899 9.502593 35 H 7.660919 11.447019 11.636722 11.783100 10.601034 36 C 7.842296 11.463043 12.182327 12.337821 10.384555 37 H 5.830780 9.723570 10.310420 10.649517 8.331117 38 H 7.155501 11.260225 11.630471 12.051479 9.578068 39 H 8.735203 12.387652 13.013046 13.135988 11.360670 40 H 7.687234 11.009404 11.847534 11.862497 10.330889 41 C 8.330875 11.919956 12.812145 13.057551 10.501207 42 H 7.657549 11.139718 12.145430 12.425788 9.650498 43 H 8.718817 12.515513 13.295355 13.657815 10.755785 44 H 9.216974 12.612150 13.623669 13.782273 11.366032 16 17 18 19 20 16 H 0.000000 17 C 2.721594 0.000000 18 H 2.767354 5.020324 0.000000 19 H 3.140080 5.810846 2.974650 0.000000 20 C 2.619070 1.399597 4.988881 5.575034 0.000000 21 C 3.936617 2.426541 6.169301 6.752784 1.377563 22 C 5.017519 2.840507 7.233111 7.978303 2.415300 23 C 5.045927 2.420134 7.237751 8.128766 2.737397 24 C 4.103725 1.391300 6.262447 7.181646 2.375308 25 H 1.964248 2.159878 4.303535 4.663388 1.073342 26 H 4.344641 3.389018 6.432987 6.855976 2.117802 27 C 6.418808 4.354397 8.563187 9.278573 3.803890 28 H 6.065346 3.380426 8.194529 9.154839 3.813410 29 H 4.657763 2.135892 6.642426 7.644089 3.354501 30 C 7.064670 5.174012 9.425063 9.700523 4.520518 31 C 7.469452 5.370217 10.014098 10.105810 5.029756 32 H 6.599463 4.821502 8.514446 9.371008 4.072939 33 H 7.128431 4.824095 9.207571 10.097910 4.536863 34 H 6.596446 5.069037 8.979352 9.020496 4.199171 35 H 8.033422 6.192119 10.303844 10.624342 5.487342 36 C 8.423557 6.570496 11.052770 10.795446 6.143550 37 H 6.684285 4.553376 9.297947 9.323423 4.371740 38 H 8.112514 5.788332 10.590599 10.886592 5.627679 39 H 9.250541 7.400944 11.811491 11.629706 6.886626 40 H 8.027029 6.480308 10.667233 10.181239 5.904167 41 C 9.130600 7.193833 11.838374 11.450783 7.008472 42 H 8.531667 6.645298 11.271665 10.789349 6.589820 43 H 9.702072 7.554462 12.370173 12.177455 7.491240 44 H 9.902522 8.120740 12.630518 12.050318 7.867132 21 22 23 24 25 21 C 0.000000 22 C 1.391743 0.000000 23 C 2.365242 1.382938 0.000000 24 C 2.750602 2.423537 1.387519 0.000000 25 H 2.096414 3.363022 3.809560 3.365384 0.000000 26 H 1.076796 2.141555 3.349362 3.827119 2.384134 27 C 2.530207 1.513913 2.534457 3.819112 4.626553 28 H 3.348717 2.130595 1.076248 2.122282 4.885773 29 H 3.818139 3.375501 2.120481 1.067931 4.270191 30 C 3.263460 2.560985 3.537292 4.733992 5.218640 31 C 4.023950 3.167096 3.636289 4.734518 5.814561 32 H 2.746238 2.134503 3.290540 4.471115 4.748948 33 H 3.393583 2.132346 2.624904 4.004885 5.454447 34 H 2.986677 2.773115 3.918890 4.918865 4.712022 35 H 4.168417 3.470824 4.457215 5.721834 6.140138 36 C 5.187822 4.561469 5.085682 6.066290 6.788790 37 H 3.598974 2.828640 3.050182 3.940261 5.182012 38 H 4.632659 3.525000 3.731447 4.920222 6.512955 39 H 5.800523 5.130937 5.768349 6.869037 7.519417 40 H 5.012825 4.678900 5.351964 6.204148 6.400740 41 C 6.241820 5.547503 5.750575 6.580802 7.692940 42 H 6.016152 5.405450 5.444694 6.077150 7.260670 43 H 6.693460 5.806009 5.859618 6.761659 8.272911 44 H 7.105204 6.510919 6.789086 7.589033 8.472943 26 27 28 29 30 26 H 0.000000 27 C 2.731886 0.000000 28 H 4.252069 2.738368 0.000000 29 H 4.894795 4.654612 2.415033 0.000000 30 C 3.216428 1.535582 3.698600 5.555172 0.000000 31 C 4.252434 2.566096 3.566887 5.357196 1.528405 32 H 2.631249 1.087104 3.582317 5.359662 2.147471 33 H 3.748756 1.086104 2.394836 4.652105 2.151024 34 H 2.682660 2.155276 4.330542 5.836572 1.087624 35 H 3.963342 2.145346 4.491502 6.521342 1.088163 36 C 5.234913 3.930098 5.048325 6.669859 2.549638 37 H 4.028060 2.792030 3.105244 4.522332 2.152632 38 H 4.975643 2.791112 3.344587 5.393103 2.149155 39 H 5.723201 4.209740 5.661658 7.498607 2.771700 40 H 4.920851 4.209041 5.522629 6.898223 2.773355 41 C 6.453537 5.114731 5.569261 6.987664 3.915139 42 H 6.344134 5.274645 5.332182 6.411721 4.235823 43 H 6.991256 5.276833 5.479189 7.060520 4.236001 44 H 7.218976 6.032314 6.646028 8.010840 4.714477 31 32 33 34 35 31 C 0.000000 32 H 3.480351 0.000000 33 H 2.768480 1.738210 0.000000 34 H 2.148111 2.512526 3.045525 0.000000 35 H 2.151967 2.386965 2.505116 1.740666 0.000000 36 C 1.529262 4.690474 4.199803 2.766258 2.778887 37 H 1.087325 3.805847 3.073210 2.505116 3.048765 38 H 1.089144 3.728406 2.550708 3.044050 2.495548 39 H 2.151787 4.808243 4.398253 3.077463 2.556575 40 H 2.150444 4.867114 4.719120 2.544896 3.097787 41 C 2.548651 5.998980 5.211206 4.193168 4.201791 42 H 2.811791 6.234404 5.423768 4.419145 4.757212 43 H 2.814191 6.189705 5.146444 4.749473 4.422095 44 H 3.491642 6.846718 6.181966 4.862218 4.874348 36 37 38 39 40 36 C 0.000000 37 H 2.149715 0.000000 38 H 2.150542 1.740204 0.000000 39 H 1.088076 3.046144 2.501236 0.000000 40 H 1.087989 2.500010 3.046399 1.739255 0.000000 41 C 1.527963 2.769172 2.770881 2.150085 2.149587 42 H 2.170679 2.592128 3.127088 3.059604 2.512033 43 H 2.171027 3.127655 2.595783 2.512177 3.059500 44 H 2.170781 3.765307 3.767484 2.486384 2.485290 41 42 43 44 41 C 0.000000 42 H 1.086086 0.000000 43 H 1.086271 1.753733 0.000000 44 H 1.085451 1.754141 1.753920 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.491540 -1.342601 0.766440 2 6 0 -5.099092 -1.958016 -0.484206 3 8 0 -3.714969 -2.261077 1.476756 4 8 0 -1.305780 2.871071 -0.551632 5 6 0 -1.911546 1.875693 -0.281095 6 7 0 -3.244057 2.003394 0.085631 7 6 0 -4.136912 1.034328 0.433018 8 8 0 -5.281372 1.270184 0.697130 9 7 0 -3.603962 -0.227331 0.438292 10 6 0 -2.294166 -0.452230 0.085003 11 6 0 -1.409244 0.489066 -0.276327 12 1 0 -5.263671 -0.926831 1.392371 13 1 0 -5.682623 -1.219254 -1.019525 14 1 0 -5.758738 -2.777729 -0.215038 15 1 0 -3.602665 2.935023 0.078999 16 1 0 -2.026781 -1.482371 0.144003 17 6 0 0.004237 0.151624 -0.638364 18 1 0 -4.323698 -2.343124 -1.137218 19 1 0 -4.259508 -2.978075 1.768166 20 6 0 0.483971 -1.158494 -0.527381 21 6 0 1.779686 -1.487529 -0.859855 22 6 0 2.675664 -0.528681 -1.323302 23 6 0 2.205015 0.766875 -1.435288 24 6 0 0.901922 1.107951 -1.102387 25 1 0 -0.146898 -1.952928 -0.176750 26 1 0 2.096030 -2.512005 -0.760533 27 6 0 4.099253 -0.898877 -1.681466 28 1 0 2.861847 1.541489 -1.791457 29 1 0 0.591574 2.124169 -1.209452 30 6 0 5.004119 -1.168756 -0.470519 31 6 0 5.275755 0.069550 0.383199 32 1 0 4.090345 -1.782722 -2.314344 33 1 0 4.533851 -0.102427 -2.278471 34 1 0 4.553760 -1.940113 0.150054 35 1 0 5.947013 -1.577440 -0.828329 36 6 0 6.175892 -0.219338 1.585255 37 1 0 4.333846 0.486744 0.731096 38 1 0 5.737645 0.837640 -0.235615 39 1 0 7.119616 -0.635901 1.239178 40 1 0 5.715622 -0.986945 2.203842 41 6 0 6.449833 1.019987 2.435961 42 1 0 5.527014 1.439566 2.825757 43 1 0 6.943906 1.793342 1.854758 44 1 0 7.088544 0.782706 3.280916 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5399575 0.1063026 0.1006487 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.6200297607 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.56D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.994475 0.104861 0.000834 0.004765 Ang= 12.05 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.111335998 A.U. after 13 cycles NFock= 13 Conv=0.91D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000096943 0.000166869 -0.000167183 2 6 0.000362376 -0.000287402 0.000039763 3 8 -0.001346926 0.000826491 -0.000532735 4 8 -0.000423492 0.000595876 0.000227693 5 6 0.000118577 -0.000652368 -0.001654992 6 7 0.000270216 0.000405002 0.000001348 7 6 -0.000136713 0.000041219 0.000455367 8 8 0.000716543 0.000650526 -0.000611647 9 7 -0.000379983 -0.000732774 0.000132569 10 6 -0.000458891 0.000326643 0.000199219 11 6 0.000148637 -0.000362488 0.000616227 12 1 0.000315752 -0.000326292 0.000193694 13 1 -0.000014202 0.000124924 -0.000001639 14 1 0.000134732 -0.000012283 0.000173795 15 1 -0.000075651 0.000010444 -0.000073909 16 1 -0.000033953 0.000123871 0.000718284 17 6 0.000713267 -0.000312293 -0.000319379 18 1 -0.000111406 0.000002040 0.000069603 19 1 0.001039901 -0.000570000 0.000492120 20 6 0.000764106 -0.000495470 -0.000150805 21 6 0.000093413 -0.000166950 0.000772432 22 6 -0.000520884 -0.000045994 0.000358258 23 6 -0.000737941 0.000352274 0.000024339 24 6 0.000189662 0.001075189 0.000041512 25 1 0.000226721 -0.000312265 -0.000488682 26 1 -0.000121522 0.000022106 0.000053433 27 6 -0.000342137 0.000950461 0.000736443 28 1 -0.000021007 0.000203225 0.000099710 29 1 -0.000142326 -0.000193893 -0.000104035 30 6 0.000709447 -0.000751799 -0.000565363 31 6 0.000079484 -0.000083148 -0.000642914 32 1 0.000643147 -0.000096663 -0.000040697 33 1 -0.000307844 0.000081330 0.000174046 34 1 0.000062045 -0.000147337 0.000401076 35 1 -0.000243794 0.000357966 -0.000449099 36 6 -0.000228865 -0.000134541 -0.000000282 37 1 -0.000394626 -0.000557349 0.000210564 38 1 -0.000337686 -0.000094183 0.000017694 39 1 -0.000230197 0.000103576 -0.000064251 40 1 0.000242018 0.000142327 -0.000120526 41 6 -0.000059194 -0.000211474 0.000027362 42 1 0.000085569 0.000045296 -0.000013121 43 1 -0.000058535 0.000078580 -0.000002932 44 1 -0.000090898 -0.000139275 -0.000232360 ------------------------------------------------------------------- Cartesian Forces: Max 0.001654992 RMS 0.000419399 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002119226 RMS 0.000393660 Search for a local minimum. Step number 8 out of a maximum of 246 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 3 4 6 7 8 DE= -1.97D-04 DEPred=-1.31D-04 R= 1.51D+00 TightC=F SS= 1.41D+00 RLast= 2.61D-01 DXNew= 2.2084D+00 7.8166D-01 Trust test= 1.51D+00 RLast= 2.61D-01 DXMaxT set to 1.31D+00 ITU= 1 1 1 1 0 1 1 0 Eigenvalues --- 0.00013 0.00230 0.00242 0.00289 0.00300 Eigenvalues --- 0.00341 0.00892 0.01360 0.01438 0.01502 Eigenvalues --- 0.01505 0.01545 0.01741 0.01808 0.01880 Eigenvalues --- 0.01900 0.02051 0.02063 0.02092 0.02171 Eigenvalues --- 0.02252 0.02431 0.02464 0.02484 0.02582 Eigenvalues --- 0.02593 0.03403 0.03430 0.03634 0.04215 Eigenvalues --- 0.04743 0.04768 0.04890 0.05196 0.05375 Eigenvalues --- 0.05436 0.05444 0.05492 0.05585 0.05620 Eigenvalues --- 0.06124 0.08368 0.08402 0.08491 0.08652 Eigenvalues --- 0.09627 0.12239 0.12241 0.12290 0.13092 Eigenvalues --- 0.14933 0.15846 0.15997 0.15999 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16005 0.16017 Eigenvalues --- 0.16094 0.16169 0.16247 0.17936 0.20199 Eigenvalues --- 0.21506 0.21898 0.21991 0.22062 0.22415 Eigenvalues --- 0.22953 0.23573 0.23784 0.24122 0.24645 Eigenvalues --- 0.24969 0.24984 0.25009 0.25684 0.26324 Eigenvalues --- 0.27990 0.28328 0.28568 0.28912 0.29273 Eigenvalues --- 0.30987 0.31541 0.32851 0.33295 0.33535 Eigenvalues --- 0.33557 0.33665 0.33689 0.33696 0.33714 Eigenvalues --- 0.33731 0.33745 0.33748 0.33754 0.33769 Eigenvalues --- 0.33785 0.33827 0.34062 0.35174 0.35594 Eigenvalues --- 0.37754 0.38159 0.38363 0.38563 0.39147 Eigenvalues --- 0.42287 0.43533 0.44408 0.49124 0.49524 Eigenvalues --- 0.51462 0.51749 0.52292 0.54747 0.56095 Eigenvalues --- 0.56870 0.57955 0.68921 0.72910 0.90155 Eigenvalues --- 1.00875 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 8 7 6 5 RFO step: Lambda=-6.73073872D-04. DidBck=F Rises=F RFO-DIIS coefs: 3.00000 -0.90359 -1.14936 0.05295 Iteration 1 RMS(Cart)= 0.32225885 RMS(Int)= 0.04553258 Iteration 2 RMS(Cart)= 0.35233830 RMS(Int)= 0.01602234 Iteration 3 RMS(Cart)= 0.04088377 RMS(Int)= 0.00028614 Iteration 4 RMS(Cart)= 0.00045775 RMS(Int)= 0.00024775 Iteration 5 RMS(Cart)= 0.00000016 RMS(Int)= 0.00024775 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87336 0.00026 -0.00202 -0.00132 -0.00334 2.87002 R2 2.63968 -0.00017 -0.00122 0.00039 -0.00083 2.63884 R3 2.76398 0.00037 -0.00241 -0.00409 -0.00650 2.75748 R4 2.03604 0.00009 -0.00139 -0.00107 -0.00247 2.03357 R5 2.04653 0.00012 -0.00140 -0.00118 -0.00258 2.04395 R6 2.05234 0.00018 -0.00131 -0.00127 -0.00258 2.04976 R7 2.04926 0.00013 -0.00135 -0.00104 -0.00240 2.04686 R8 1.78829 0.00128 -0.00639 -0.00437 -0.01076 1.77753 R9 2.26051 0.00051 -0.00096 -0.00069 -0.00165 2.25886 R10 2.62283 0.00051 -0.00198 -0.00396 -0.00609 2.61674 R11 2.78699 0.00086 -0.00627 -0.00202 -0.00840 2.77859 R12 2.57513 0.00054 -0.00398 -0.00088 -0.00492 2.57021 R13 1.88649 0.00004 -0.00022 0.00017 -0.00006 1.88643 R14 2.26387 0.00100 -0.00240 -0.00196 -0.00436 2.25950 R15 2.58820 0.00108 -0.00309 -0.00326 -0.00626 2.58194 R16 2.59860 0.00018 -0.00383 -0.00049 -0.00417 2.59443 R17 2.53511 -0.00028 0.00191 0.00008 0.00205 2.53716 R18 2.01428 0.00037 -0.00084 -0.00025 -0.00108 2.01320 R19 2.83009 0.00004 0.00058 -0.00070 -0.00012 2.82997 R20 2.64486 0.00040 -0.01024 -0.00280 -0.01308 2.63178 R21 2.62918 0.00101 0.00534 -0.00169 0.00361 2.63279 R22 2.60322 0.00083 0.00500 -0.00130 0.00372 2.60693 R23 2.02832 0.00017 -0.00009 0.00009 -0.00001 2.02832 R24 2.63001 0.00089 -0.01308 -0.00274 -0.01577 2.61424 R25 2.03485 0.00002 0.00117 0.00099 0.00216 2.03701 R26 2.61337 0.00073 0.00639 -0.00095 0.00548 2.61885 R27 2.86088 0.00040 -0.00452 -0.00209 -0.00661 2.85427 R28 2.62203 0.00103 -0.01270 -0.00387 -0.01657 2.60546 R29 2.03381 0.00009 -0.00014 0.00035 0.00022 2.03403 R30 2.01810 -0.00010 -0.00002 0.00029 0.00027 2.01837 R31 2.90183 0.00195 -0.00923 -0.00057 -0.00980 2.89203 R32 2.05433 -0.00002 -0.00249 -0.00240 -0.00489 2.04944 R33 2.05244 0.00023 -0.00049 -0.00066 -0.00115 2.05129 R34 2.88827 0.00089 -0.00608 -0.00146 -0.00754 2.88073 R35 2.05531 0.00021 -0.00018 -0.00029 -0.00047 2.05484 R36 2.05633 -0.00011 -0.00016 -0.00123 -0.00139 2.05494 R37 2.88989 0.00038 -0.00404 -0.00134 -0.00538 2.88451 R38 2.05475 -0.00060 0.00341 0.00016 0.00357 2.05832 R39 2.05818 0.00016 -0.00051 -0.00058 -0.00110 2.05709 R40 2.05617 0.00013 -0.00052 -0.00074 -0.00126 2.05491 R41 2.05600 0.00005 -0.00084 -0.00117 -0.00201 2.05399 R42 2.88743 0.00021 -0.00205 -0.00078 -0.00283 2.88460 R43 2.05240 0.00009 -0.00102 -0.00090 -0.00193 2.05048 R44 2.05275 0.00010 -0.00088 -0.00084 -0.00172 2.05103 R45 2.05120 0.00024 -0.00185 -0.00131 -0.00315 2.04805 A1 1.95440 -0.00001 0.00198 0.00088 0.00286 1.95726 A2 1.94610 0.00051 -0.00293 -0.00134 -0.00429 1.94182 A3 1.92589 -0.00027 0.00238 0.00131 0.00366 1.92955 A4 1.85261 -0.00054 0.00359 0.00224 0.00583 1.85844 A5 1.93556 0.00008 -0.00034 -0.00110 -0.00144 1.93412 A6 1.84521 0.00024 -0.00510 -0.00217 -0.00727 1.83794 A7 1.92385 -0.00002 0.00012 -0.00006 0.00005 1.92391 A8 1.92231 0.00020 -0.00300 -0.00292 -0.00593 1.91639 A9 1.93192 -0.00006 0.00049 0.00074 0.00122 1.93314 A10 1.88610 -0.00005 -0.00037 0.00024 -0.00014 1.88596 A11 1.90696 -0.00001 0.00228 0.00129 0.00357 1.91053 A12 1.89178 -0.00006 0.00052 0.00073 0.00125 1.89303 A13 1.91227 -0.00021 0.00358 0.00271 0.00629 1.91856 A14 2.05938 0.00023 -0.00398 -0.00075 -0.00529 2.05409 A15 2.22763 -0.00002 0.00250 0.00021 0.00213 2.22976 A16 1.99614 -0.00020 0.00163 0.00029 0.00132 1.99746 A17 2.25360 0.00006 -0.00047 0.00082 0.00032 2.25392 A18 2.01417 -0.00011 0.00113 0.00140 0.00241 2.01657 A19 2.01527 0.00005 -0.00086 -0.00236 -0.00335 2.01192 A20 2.14377 -0.00055 0.00488 0.00219 0.00681 2.15057 A21 1.98352 -0.00015 -0.00024 -0.00098 -0.00103 1.98250 A22 2.15585 0.00070 -0.00452 -0.00100 -0.00578 2.15008 A23 2.05684 0.00075 -0.00621 -0.00386 -0.01192 2.04493 A24 2.10707 -0.00068 0.00363 0.00139 0.00303 2.11010 A25 2.11801 -0.00008 0.00058 0.00081 0.00019 2.11820 A26 2.19290 0.00020 -0.00060 -0.00120 -0.00136 2.19154 A27 1.96359 -0.00007 -0.00138 -0.00340 -0.00501 1.95859 A28 2.12651 -0.00013 0.00194 0.00460 0.00631 2.13283 A29 2.02185 0.00017 -0.00128 -0.00028 -0.00141 2.02044 A30 2.13237 0.00073 -0.00076 -0.00066 -0.00157 2.13080 A31 2.12892 -0.00090 0.00197 0.00087 0.00269 2.13160 A32 2.11210 -0.00074 0.00302 -0.00157 0.00148 2.11358 A33 2.13496 0.00068 -0.00417 0.00052 -0.00363 2.13133 A34 2.03612 0.00005 0.00115 0.00102 0.00213 2.03824 A35 2.12568 -0.00007 -0.00007 -0.00083 -0.00093 2.12475 A36 2.11446 -0.00016 0.00226 -0.00039 0.00182 2.11627 A37 2.04305 0.00024 -0.00219 0.00122 -0.00102 2.04203 A38 2.11922 0.00019 -0.00126 -0.00018 -0.00136 2.11785 A39 2.07295 0.00003 0.00145 0.00315 0.00452 2.07747 A40 2.09101 -0.00022 -0.00016 -0.00294 -0.00318 2.08783 A41 2.04125 -0.00009 0.00183 0.00054 0.00221 2.04346 A42 2.11260 -0.00032 -0.00311 -0.00511 -0.00857 2.10403 A43 2.12933 0.00040 0.00137 0.00453 0.00553 2.13486 A44 2.12996 -0.00010 -0.00028 -0.00035 -0.00055 2.12941 A45 2.08674 0.00011 -0.00395 0.00011 -0.00388 2.08286 A46 2.06649 -0.00001 0.00423 0.00024 0.00442 2.07091 A47 2.11415 0.00002 -0.00136 -0.00020 -0.00157 2.11257 A48 2.09441 0.00011 -0.00343 0.00015 -0.00329 2.09112 A49 2.07463 -0.00014 0.00479 0.00004 0.00482 2.07945 A50 1.99382 0.00096 -0.02476 -0.01289 -0.03765 1.95617 A51 1.90586 -0.00075 0.01272 0.00185 0.01447 1.92034 A52 1.90392 -0.00003 0.00106 0.00345 0.00453 1.90845 A53 1.89762 -0.00018 0.00379 -0.00003 0.00379 1.90141 A54 1.90346 -0.00025 0.00777 0.00695 0.01462 1.91807 A55 1.85404 0.00020 0.00122 0.00167 0.00273 1.85677 A56 1.98539 0.00212 -0.01857 -0.00485 -0.02389 1.96150 A57 1.90773 -0.00069 -0.01135 -0.00530 -0.01746 1.89027 A58 1.89368 -0.00064 0.01859 0.00543 0.02427 1.91795 A59 1.90656 -0.00027 -0.00972 -0.00181 -0.01244 1.89412 A60 1.91129 -0.00103 0.01688 0.00339 0.02050 1.93179 A61 1.85465 0.00040 0.00636 0.00375 0.01038 1.86502 A62 1.97209 0.00035 0.00040 -0.00036 0.00004 1.97213 A63 1.91306 -0.00003 -0.00392 -0.00170 -0.00562 1.90745 A64 1.90644 -0.00008 0.00157 0.00095 0.00252 1.90896 A65 1.90802 -0.00021 0.00116 0.00029 0.00144 1.90947 A66 1.90731 -0.00026 0.00290 -0.00015 0.00274 1.91006 A67 1.85310 0.00022 -0.00226 0.00106 -0.00120 1.85190 A68 1.91010 -0.00004 -0.00043 0.00045 0.00003 1.91013 A69 1.90835 -0.00017 0.00154 0.00005 0.00159 1.90994 A70 1.97136 0.00030 -0.00140 -0.00165 -0.00304 1.96832 A71 1.85215 0.00018 -0.00314 0.00021 -0.00293 1.84922 A72 1.90933 -0.00017 0.00161 0.00045 0.00207 1.91140 A73 1.90874 -0.00010 0.00169 0.00060 0.00229 1.91103 A74 1.93995 -0.00008 0.00088 0.00035 0.00123 1.94118 A75 1.94025 -0.00006 0.00103 0.00052 0.00155 1.94180 A76 1.94077 0.00024 -0.00352 -0.00185 -0.00537 1.93540 A77 1.87911 0.00002 0.00102 0.00060 0.00161 1.88072 A78 1.88078 -0.00006 0.00027 0.00021 0.00048 1.88126 A79 1.88020 -0.00007 0.00042 0.00024 0.00065 1.88085 D1 -3.12767 0.00012 -0.00451 -0.00095 -0.00545 -3.13313 D2 1.07588 0.00008 -0.00224 0.00062 -0.00162 1.07426 D3 -1.01591 0.00006 -0.00125 0.00111 -0.00013 -1.01603 D4 -1.05470 -0.00022 -0.00061 0.00157 0.00097 -1.05373 D5 -3.13434 -0.00027 0.00167 0.00314 0.00480 -3.12953 D6 1.05707 -0.00029 0.00265 0.00364 0.00629 1.06336 D7 0.99040 0.00022 -0.00724 -0.00113 -0.00838 0.98202 D8 -1.08923 0.00018 -0.00497 0.00044 -0.00454 -1.09378 D9 3.10217 0.00016 -0.00398 0.00094 -0.00305 3.09912 D10 -1.08416 0.00020 0.00095 0.00191 0.00287 -1.08128 D11 3.07156 -0.00007 0.00104 0.00157 0.00260 3.07416 D12 1.07554 -0.00010 0.00524 0.00344 0.00867 1.08421 D13 1.62304 -0.00004 -0.03999 -0.02387 -0.06372 1.55932 D14 -1.46531 -0.00001 0.02147 0.01086 0.03223 -1.43308 D15 -2.52739 -0.00010 -0.03696 -0.02214 -0.05897 -2.58636 D16 0.66745 -0.00007 0.02450 0.01259 0.03697 0.70442 D17 -0.47034 -0.00014 -0.03808 -0.02337 -0.06135 -0.53169 D18 2.72450 -0.00011 0.02338 0.01136 0.03459 2.75909 D19 3.13953 -0.00022 0.00935 0.01412 0.02335 -3.12031 D20 0.01794 -0.00026 0.02539 0.02292 0.04817 0.06611 D21 -0.00997 0.00012 -0.01165 -0.01770 -0.02929 -0.03926 D22 -3.13156 0.00008 0.00439 -0.00890 -0.00448 -3.13603 D23 3.12632 0.00033 -0.02653 -0.03053 -0.05712 3.06920 D24 -0.00474 0.00024 -0.01679 -0.02328 -0.04021 -0.04495 D25 -0.00646 -0.00005 -0.00310 0.00495 0.00189 -0.00457 D26 -3.13752 -0.00014 0.00664 0.01220 0.01880 -3.11872 D27 -3.10477 -0.00008 0.02659 0.00248 0.02886 -3.07591 D28 0.02692 -0.00007 0.02289 0.02553 0.04835 0.07526 D29 0.01681 -0.00005 0.01055 -0.00629 0.00415 0.02096 D30 -3.13469 -0.00004 0.00685 0.01677 0.02364 -3.11106 D31 -3.11577 0.00000 0.04216 0.01386 0.05560 -3.06017 D32 -0.02778 -0.00005 -0.01968 -0.02108 -0.04072 -0.06850 D33 0.01583 -0.00000 0.03844 0.03712 0.07516 0.09100 D34 3.10383 -0.00005 -0.02340 0.00217 -0.02116 3.08267 D35 3.10096 0.00011 -0.05621 -0.02382 -0.08050 3.02047 D36 -0.06072 0.00032 -0.05858 -0.02412 -0.08312 -0.14383 D37 0.01450 0.00011 0.00750 0.01228 0.01987 0.03437 D38 3.13601 0.00033 0.00513 0.01199 0.01725 -3.12993 D39 0.00405 -0.00006 0.00473 -0.00334 0.00128 0.00533 D40 3.13513 0.00004 -0.00500 -0.01058 -0.01567 3.11947 D41 -3.11570 -0.00029 0.00734 -0.00292 0.00428 -3.11142 D42 0.01539 -0.00019 -0.00238 -0.01017 -0.01267 0.00272 D43 3.05531 -0.00080 -0.16818 -0.21241 -0.38058 2.67473 D44 -0.09038 -0.00090 -0.16580 -0.21964 -0.38542 -0.47579 D45 -0.07511 -0.00090 -0.15783 -0.20471 -0.36257 -0.43768 D46 3.06239 -0.00100 -0.15545 -0.21194 -0.36740 2.69499 D47 3.13801 -0.00017 -0.00347 -0.01216 -0.01563 3.12238 D48 -0.00430 -0.00034 -0.01111 -0.02245 -0.03356 -0.03786 D49 0.00030 -0.00008 -0.00570 -0.00532 -0.01103 -0.01074 D50 3.14117 -0.00024 -0.01334 -0.01561 -0.02896 3.11221 D51 -3.13753 0.00016 0.00629 0.01271 0.01898 -3.11855 D52 0.00188 0.00015 0.00254 0.00876 0.01134 0.01321 D53 0.00013 0.00006 0.00858 0.00577 0.01434 0.01447 D54 3.13954 0.00005 0.00483 0.00182 0.00670 -3.13694 D55 0.00012 0.00012 -0.00197 0.00299 0.00104 0.00116 D56 -3.13613 -0.00002 -0.00761 -0.00551 -0.01308 3.13398 D57 -3.14078 0.00028 0.00538 0.01287 0.01824 -3.12254 D58 0.00616 0.00014 -0.00026 0.00438 0.00412 0.01027 D59 -0.00095 -0.00013 0.00670 -0.00086 0.00585 0.00490 D60 3.13767 -0.00011 -0.01928 -0.01488 -0.03399 3.10368 D61 3.13525 0.00000 0.01240 0.00774 0.02007 -3.12786 D62 -0.00932 0.00003 -0.01358 -0.00628 -0.01977 -0.02908 D63 0.00139 0.00012 -0.00378 0.00136 -0.00245 -0.00107 D64 -3.13933 0.00011 -0.00170 0.00323 0.00148 -3.13785 D65 -3.13720 0.00009 0.02244 0.01554 0.03818 -3.09903 D66 0.00527 0.00009 0.02453 0.01742 0.04210 0.04737 D67 -1.29064 0.00016 -0.22267 -0.12686 -0.34946 -1.64010 D68 0.83824 0.00003 -0.22527 -0.13444 -0.35983 0.47840 D69 2.85755 -0.00016 -0.21626 -0.12952 -0.34584 2.51171 D70 1.84783 0.00019 -0.24998 -0.14161 -0.39144 1.45639 D71 -2.30648 0.00006 -0.25258 -0.14918 -0.40182 -2.70830 D72 -0.28717 -0.00014 -0.24358 -0.14427 -0.38783 -0.67499 D73 -0.00101 -0.00009 -0.00399 -0.00399 -0.00793 -0.00894 D74 -3.14044 -0.00008 -0.00028 -0.00009 -0.00033 -3.14077 D75 3.13971 -0.00008 -0.00605 -0.00585 -0.01183 3.12788 D76 0.00028 -0.00008 -0.00234 -0.00194 -0.00424 -0.00396 D77 -1.16624 -0.00058 -0.00832 -0.01037 -0.01884 -1.18508 D78 0.96977 0.00002 -0.04284 -0.02001 -0.06256 0.90721 D79 2.98518 -0.00022 -0.03116 -0.01543 -0.04653 2.93865 D80 2.98355 -0.00014 -0.01066 -0.00391 -0.01479 2.96876 D81 -1.16363 0.00047 -0.04518 -0.01355 -0.05851 -1.22214 D82 0.85179 0.00022 -0.03350 -0.00896 -0.04249 0.80930 D83 0.96901 -0.00014 -0.01832 -0.00962 -0.02821 0.94080 D84 3.10502 0.00047 -0.05284 -0.01926 -0.07193 3.03309 D85 -1.16276 0.00022 -0.04116 -0.01467 -0.05590 -1.21866 D86 3.13961 0.00025 -0.07352 -0.01856 -0.09191 3.04770 D87 1.00697 0.00030 -0.07244 -0.01745 -0.08973 0.91725 D88 -1.01663 0.00010 -0.06842 -0.01830 -0.08655 -1.10318 D89 1.00295 -0.00012 -0.03814 -0.00700 -0.04531 0.95765 D90 -1.12968 -0.00007 -0.03706 -0.00589 -0.04313 -1.17281 D91 3.12990 -0.00028 -0.03304 -0.00675 -0.03995 3.08995 D92 -1.02158 0.00013 -0.04979 -0.01238 -0.06218 -1.08375 D93 3.12897 0.00018 -0.04872 -0.01128 -0.06000 3.06898 D94 1.10537 -0.00002 -0.04469 -0.01213 -0.05682 1.04855 D95 1.00727 0.00001 -0.00055 -0.00197 -0.00251 1.00476 D96 -1.01460 -0.00009 0.00259 -0.00250 0.00009 -1.01451 D97 3.13894 -0.00004 0.00027 -0.00219 -0.00192 3.13702 D98 -3.14046 0.00006 -0.00446 -0.00419 -0.00865 3.13408 D99 1.12085 -0.00004 -0.00132 -0.00472 -0.00604 1.11481 D100 -1.00880 0.00001 -0.00365 -0.00441 -0.00805 -1.01685 D101 -1.11919 0.00006 -0.00490 -0.00284 -0.00774 -1.12693 D102 -3.14106 -0.00004 -0.00176 -0.00338 -0.00514 3.13699 D103 1.01248 0.00001 -0.00409 -0.00306 -0.00715 1.00533 D104 1.04411 -0.00007 0.00078 -0.00021 0.00057 1.04468 D105 -1.04882 -0.00000 -0.00179 -0.00155 -0.00334 -1.05217 D106 3.13950 -0.00004 -0.00065 -0.00096 -0.00160 3.13790 D107 -3.10698 -0.00005 0.00045 -0.00043 0.00002 -3.10696 D108 1.08328 0.00002 -0.00212 -0.00177 -0.00389 1.07938 D109 -1.01158 -0.00001 -0.00098 -0.00118 -0.00216 -1.01374 D110 -1.08532 0.00002 -0.00145 0.00041 -0.00104 -1.08636 D111 3.10493 0.00009 -0.00403 -0.00093 -0.00496 3.09998 D112 1.01008 0.00005 -0.00289 -0.00034 -0.00322 1.00686 Item Value Threshold Converged? Maximum Force 0.002119 0.000450 NO RMS Force 0.000394 0.000300 NO Maximum Displacement 2.611983 0.001800 NO RMS Displacement 0.675866 0.001200 NO Predicted change in Energy=-7.607002D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.994130 -4.606891 2.403390 2 6 0 7.080103 -3.425249 3.353615 3 8 0 6.820823 -5.815583 3.080889 4 8 0 2.802253 -3.751144 -0.938689 5 6 0 3.639775 -3.972355 -0.115006 6 7 0 4.949526 -3.647621 -0.425732 7 6 0 6.075620 -3.817025 0.317963 8 8 0 7.154140 -3.436131 -0.030404 9 7 0 5.859125 -4.474549 1.495921 10 6 0 4.594719 -4.835151 1.891065 11 6 0 3.469214 -4.632739 1.187596 12 1 0 7.862307 -4.645296 1.768704 13 1 0 7.205356 -2.506202 2.797244 14 1 0 7.937281 -3.541599 4.008026 15 1 0 5.083529 -3.193876 -1.304752 16 1 0 4.593114 -5.328799 2.835127 17 6 0 2.129283 -5.083679 1.681472 18 1 0 6.188423 -3.358464 3.964897 19 1 0 7.559839 -5.978812 3.639455 20 6 0 2.012390 -6.141668 2.579551 21 6 0 0.786643 -6.553477 3.060240 22 6 0 -0.385610 -5.931936 2.668708 23 6 0 -0.273883 -4.883432 1.769429 24 6 0 0.946060 -4.467429 1.279905 25 1 0 2.875051 -6.684728 2.915640 26 1 0 0.746224 -7.382079 3.748528 27 6 0 -1.721777 -6.428532 3.168111 28 1 0 -1.162738 -4.371669 1.442942 29 1 0 0.979166 -3.653611 0.588973 30 6 0 -2.367220 -7.418983 2.196244 31 6 0 -2.792379 -6.757508 0.890285 32 1 0 -1.602384 -6.909113 4.132976 33 1 0 -2.383222 -5.582652 3.327092 34 1 0 -1.641956 -8.196760 1.969451 35 1 0 -3.214019 -7.906796 2.673176 36 6 0 -3.317823 -7.754183 -0.139518 37 1 0 -1.946744 -6.214758 0.469907 38 1 0 -3.557983 -6.011476 1.095850 39 1 0 -4.157293 -8.301761 0.282273 40 1 0 -2.551608 -8.496331 -0.348175 41 6 0 -3.748021 -7.085886 -1.442746 42 1 0 -2.920125 -6.559272 -1.906035 43 1 0 -4.543627 -6.367503 -1.272630 44 1 0 -4.111684 -7.820293 -2.151955 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518748 0.000000 3 O 1.396416 2.419773 0.000000 4 O 5.428962 6.068779 6.047133 0.000000 5 C 4.242246 4.915945 4.871375 1.195337 0.000000 6 N 3.620019 4.344223 4.527494 2.210118 1.384720 7 C 2.411753 3.221437 3.490461 3.506914 2.478897 8 O 2.705482 3.384846 3.931035 4.456808 3.556045 9 N 1.459196 2.458220 2.288090 3.974306 2.787974 10 C 2.464093 3.209986 2.707852 3.520726 2.383413 11 C 3.728788 4.380432 4.027028 2.396484 1.470365 12 H 1.076119 2.147627 2.043549 5.808066 4.672364 13 H 2.147704 1.081612 3.343699 5.907147 4.831581 14 H 2.144583 1.084687 2.697604 7.133191 5.971056 15 H 4.404239 5.073482 5.396794 2.376714 2.026314 16 H 2.544097 3.174499 2.293478 4.465184 3.384093 17 C 4.941177 5.482433 4.950212 3.015589 2.596914 18 H 2.155467 1.083152 2.686789 5.972060 4.849544 19 H 1.931334 2.613912 0.940630 6.968251 5.786946 20 C 5.215775 5.801709 4.845482 4.326257 3.822949 21 C 6.538620 7.034168 6.079164 5.282725 4.988461 22 C 7.502446 7.905026 7.219148 5.285038 5.271882 23 C 7.300849 7.662705 7.274866 4.251892 4.438229 24 C 6.153115 6.558421 6.290778 2.980046 3.073593 25 H 4.641834 5.338397 4.043740 4.844281 4.138428 26 H 6.967597 7.478669 6.308756 6.275423 5.909801 27 C 8.937014 9.302000 8.565005 6.670911 6.749660 28 H 8.216587 8.514154 8.276775 4.666730 5.064661 29 H 6.354577 6.702002 6.708854 2.380527 2.770564 30 C 9.776791 10.321886 9.368757 7.071371 7.301034 31 C 10.133628 10.706906 9.904525 6.609332 7.080981 32 H 9.065967 9.387773 8.558803 7.422626 7.358677 33 H 9.473123 9.706163 9.210283 6.959918 7.121628 34 H 9.362556 10.037805 8.861372 6.926165 7.077234 35 H 10.731657 11.247942 10.258530 8.155399 8.380231 36 C 11.077374 11.792308 10.813017 7.356516 7.919027 37 H 9.287779 9.878315 9.156790 5.532315 6.048115 38 H 10.725186 11.178324 10.568744 7.049897 7.578384 39 H 11.937564 12.629037 11.598808 8.404411 8.927253 40 H 10.668645 11.497347 10.333797 7.178393 7.671633 41 C 11.676129 12.395709 11.566218 7.367541 8.126284 42 H 10.985235 11.725638 10.968525 6.447244 7.275453 43 H 12.236533 12.851852 12.182301 7.805050 8.604934 44 H 12.426433 13.224364 12.284999 8.113723 8.890495 6 7 8 9 10 6 N 0.000000 7 C 1.360099 0.000000 8 O 2.249742 1.195678 0.000000 9 N 2.281213 1.366306 2.255004 0.000000 10 C 2.627483 2.388367 3.492841 1.372915 0.000000 11 C 2.400960 2.866183 4.061290 2.414904 1.342609 12 H 3.780899 2.446003 2.280432 2.028867 3.275385 13 H 4.096240 3.023474 2.977077 2.716647 3.613944 14 H 5.347536 4.142247 4.115015 3.391136 4.162634 15 H 0.998257 2.001441 2.443375 3.175758 3.625737 16 H 3.686000 3.289285 4.283960 2.031256 1.065337 17 C 3.802150 4.363158 5.558248 3.783806 2.486779 18 H 4.571225 3.677381 4.111091 2.729455 3.003544 19 H 5.364134 4.231847 4.483043 3.122494 3.627225 20 C 4.886590 5.198902 6.369411 4.330232 2.974798 21 C 6.158376 6.556030 7.734012 5.700799 4.338324 22 C 6.577030 7.193492 8.388210 6.518904 5.158617 23 C 5.799134 6.600013 7.778792 6.152705 4.870360 24 C 4.428207 5.259348 6.428121 4.917816 3.717720 25 H 4.969128 5.021482 6.127247 3.975574 2.725425 26 H 7.002740 7.271922 8.420939 6.298391 4.974728 27 C 8.071893 8.703029 9.897821 8.005270 6.638360 28 H 6.432415 7.346226 8.498026 7.022817 5.793440 29 H 4.097977 5.106270 6.209769 5.030954 4.020411 30 C 8.639022 9.369289 10.558284 8.765437 7.432221 31 C 8.446324 9.360310 10.526749 8.968122 7.698456 32 H 8.622451 9.114114 10.299128 8.279811 6.908803 33 H 8.461514 9.150098 10.336421 8.515713 7.163280 34 H 8.359378 9.026099 10.199721 8.387210 7.085384 35 H 9.715311 10.419724 11.610121 9.771806 8.427519 36 C 9.235520 10.195454 11.327819 9.881652 8.674810 37 H 7.412888 8.374398 9.528755 8.063041 6.834746 38 H 8.959951 9.910955 11.074765 9.550085 8.275424 39 H 10.251655 11.172584 12.317493 10.791159 9.550042 40 H 8.932134 9.837109 10.950258 9.503465 8.335972 41 C 9.407619 10.501879 11.583286 10.380370 9.261825 42 H 8.520588 9.663825 10.712741 9.643371 8.594384 43 H 9.911354 11.036455 12.123276 10.930023 9.791141 44 H 10.124058 11.220865 12.273575 11.131847 10.052787 11 12 13 14 15 11 C 0.000000 12 H 4.431378 0.000000 13 H 4.590412 2.462763 0.000000 14 H 5.395279 2.497665 1.753213 0.000000 15 H 3.299718 4.390257 4.669199 6.040731 0.000000 16 H 2.112347 3.506003 3.846076 3.969034 4.683695 17 C 1.497556 5.750422 5.801280 6.443890 4.606133 18 H 4.090388 3.046487 1.767460 1.758950 5.386750 19 H 4.955475 2.317210 3.590822 2.493655 6.191378 20 C 2.517288 6.092465 6.342783 6.626103 5.762741 21 C 3.793707 7.441387 7.592725 7.816734 6.985936 22 C 4.329118 8.396045 8.329161 8.762305 7.293616 23 C 3.796334 8.139674 7.914963 8.615977 6.403675 24 C 2.530248 6.935779 6.732571 7.561546 5.041928 25 H 2.747693 5.508853 6.018774 6.057949 5.905517 26 H 4.640249 7.877076 8.148589 8.156466 7.866949 27 C 5.838981 9.848499 9.757864 10.116187 8.762516 28 H 4.646326 9.035067 8.679810 9.490997 6.924802 29 H 2.741784 7.053569 6.705106 7.753570 4.543495 30 C 6.545569 10.607514 10.776401 11.157930 9.253224 31 C 6.618956 10.897495 11.030177 11.627037 8.918945 32 H 6.291124 10.014740 9.937106 10.117360 9.384737 33 H 6.303236 10.405675 10.083953 10.542407 9.105635 34 H 6.279936 10.148114 10.551901 10.843805 8.998966 35 H 7.588939 11.581902 11.736489 12.049409 10.338511 36 C 7.587392 11.760179 12.120362 12.713197 9.629999 37 H 5.687747 10.018362 10.145483 10.833191 7.854927 38 H 7.161761 11.521380 11.446883 12.112892 9.400930 39 H 8.511459 12.651087 13.000898 13.521061 10.677168 40 H 7.316846 11.303153 11.873233 12.391233 9.344859 41 C 8.063814 12.291037 12.606644 13.372328 9.652101 42 H 7.355660 11.551097 11.877440 12.726576 8.703213 43 H 8.559658 12.888868 13.019682 13.843560 10.136818 44 H 8.875985 12.993407 13.446543 14.192609 10.328283 16 17 18 19 20 16 H 0.000000 17 C 2.731569 0.000000 18 H 2.775538 4.966590 0.000000 19 H 3.141801 5.841738 2.975385 0.000000 20 C 2.717759 1.392678 5.206214 5.650142 0.000000 21 C 4.004963 2.421568 6.340799 6.822163 1.379530 22 C 5.017884 2.831759 7.177797 8.004667 2.408804 23 C 5.002172 2.413098 6.993354 8.127979 2.732489 24 C 4.057299 1.393210 5.993442 7.182884 2.372596 25 H 2.190152 2.154692 4.810759 4.792646 1.073338 26 H 4.455202 3.386475 6.771545 6.957471 2.123276 27 C 6.418577 4.341588 8.522408 9.304450 3.791133 28 H 5.998676 3.376575 7.837500 9.137337 3.808702 29 H 4.572973 2.135747 6.214526 7.616906 3.349683 30 C 7.295429 5.092855 9.634053 10.134271 4.578148 31 C 7.769757 5.258368 10.082735 10.739307 5.130174 32 H 6.524262 4.823631 8.563412 9.222546 4.008577 33 H 6.998266 4.829051 8.878451 9.955851 4.493631 34 H 6.917419 4.898617 9.418373 9.611516 4.236728 35 H 8.223358 6.124079 10.524342 10.987576 5.517227 36 C 8.792834 6.333921 11.248879 11.651442 6.197154 37 H 7.010630 4.400139 9.303457 10.023813 4.486723 38 H 8.362506 5.792128 10.500587 11.405128 5.766053 39 H 9.587762 7.199642 12.042912 12.407979 6.928815 40 H 8.438823 6.138111 11.017641 11.157081 5.911522 41 C 9.537404 6.950703 11.910885 12.446769 7.088917 42 H 8.968915 6.367425 11.299498 11.870932 6.680163 43 H 10.071376 7.409632 12.315149 13.068035 7.607343 44 H 10.336926 7.818816 12.783426 13.158872 7.918914 21 22 23 24 25 21 C 0.000000 22 C 1.383398 0.000000 23 C 2.362194 1.385837 0.000000 24 C 2.747108 2.418036 1.378751 0.000000 25 H 2.097518 3.355530 3.804504 3.363487 0.000000 26 H 1.077940 2.133066 3.346742 3.824816 2.389960 27 C 2.513845 1.510415 2.537724 3.811640 4.610879 28 H 3.343057 2.130930 1.076363 2.117258 4.880863 29 H 3.814898 3.373228 2.115672 1.068074 4.265610 30 C 3.382668 2.522164 3.315607 4.530913 5.342103 31 C 4.190434 3.104335 3.260043 4.401385 6.018897 32 H 2.642857 2.139976 3.384472 4.538326 4.645393 33 H 3.325922 2.132117 2.713767 4.064335 5.388256 34 H 3.128625 2.682685 3.590234 4.591428 4.856425 35 H 4.241060 3.449637 4.312990 5.574648 6.215224 36 C 5.341048 4.450236 4.599007 5.567604 6.987805 37 H 3.781000 2.711431 2.501930 3.475281 5.426987 38 H 4.798788 3.541774 3.537160 4.764909 6.719288 39 H 5.934316 5.053389 5.383073 6.460772 7.681359 40 H 5.151301 4.513232 4.767109 5.578206 6.586579 41 C 6.412762 5.435206 5.219052 6.025242 7.938610 42 H 6.197100 5.267408 4.829086 5.428942 7.539785 43 H 6.871691 5.745692 5.448606 6.345265 8.525200 44 H 7.263980 6.378739 6.223433 6.971380 8.705429 26 27 28 29 30 26 H 0.000000 27 C 2.708719 0.000000 28 H 4.245283 2.742156 0.000000 29 H 4.892700 4.652659 2.415083 0.000000 30 C 3.479149 1.530397 3.362195 5.287687 0.000000 31 C 4.591443 2.538289 2.941664 4.893824 1.524415 32 H 2.426408 1.084516 3.724002 5.461011 2.143798 33 H 3.634415 1.085494 2.550702 4.745961 2.156660 34 H 3.087430 2.137706 3.890782 5.423670 1.087373 35 H 4.137056 2.158011 4.268295 6.325842 1.087425 36 C 5.636651 3.904501 4.311609 5.984104 2.543972 37 H 4.400462 2.715993 2.226756 3.890322 2.146438 38 H 5.238458 2.799974 2.923463 5.138304 2.147058 39 H 6.074966 4.215304 5.075444 6.934159 2.765311 40 H 5.375893 4.162774 4.706368 6.066016 2.769251 41 C 6.872793 5.079152 4.730524 6.185037 3.906381 42 H 6.789197 5.215371 4.369172 5.465565 4.227706 43 H 7.363689 5.261820 4.773688 6.428998 4.227937 44 H 7.655520 5.995979 5.789004 7.126757 4.702238 31 32 33 34 35 31 C 0.000000 32 H 3.457473 0.000000 33 H 2.736006 1.737427 0.000000 34 H 2.135304 2.518023 3.037470 0.000000 35 H 2.162717 2.392437 2.553326 1.746623 0.000000 36 C 1.526417 4.680927 4.196000 2.729864 2.818743 37 H 1.089216 3.744167 2.958645 2.503969 3.053419 38 H 1.088563 3.722130 2.557811 3.034766 2.489680 39 H 2.148810 4.826483 4.451045 3.030596 2.600419 40 H 2.148316 4.847783 4.693130 2.507708 3.148794 41 C 2.542463 5.976929 5.183990 4.160846 4.230823 42 H 2.806246 6.191000 5.350483 4.397098 4.782401 43 H 2.810191 6.177769 5.142061 4.719849 4.439219 44 H 3.482140 6.828410 6.165596 4.819468 4.908683 36 37 38 39 40 36 C 0.000000 37 H 2.149671 0.000000 38 H 2.149614 1.740465 0.000000 39 H 1.087409 3.045868 2.503295 0.000000 40 H 1.086926 2.498138 3.045079 1.735957 0.000000 41 C 1.526465 2.767978 2.763140 2.149778 2.149150 42 H 2.169460 2.590610 3.117412 3.058683 2.512952 43 H 2.170120 3.131065 2.589971 2.511639 3.058540 44 H 2.164367 3.760168 3.758542 2.481805 2.478807 41 42 43 44 41 C 0.000000 42 H 1.085066 0.000000 43 H 1.085359 1.753207 0.000000 44 H 1.083781 1.752273 1.752252 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.781559 -0.924869 0.488781 2 6 0 -5.276517 -1.431681 -0.854630 3 8 0 -4.309540 -1.958857 1.299979 4 8 0 -0.801057 2.646689 -0.445677 5 6 0 -1.592558 1.769411 -0.264734 6 7 0 -2.914805 2.127359 -0.062280 7 6 0 -3.991036 1.333267 0.184725 8 8 0 -5.106624 1.752872 0.279805 9 7 0 -3.674483 0.011634 0.325698 10 6 0 -2.390880 -0.439282 0.141489 11 6 0 -1.327706 0.327811 -0.148043 12 1 0 -5.553606 -0.367515 0.990111 13 1 0 -5.626312 -0.606391 -1.459961 14 1 0 -6.105626 -2.115227 -0.706682 15 1 0 -3.113934 3.102248 -0.142630 16 1 0 -2.310858 -1.493047 0.276098 17 6 0 0.047466 -0.243690 -0.306040 18 1 0 -4.488737 -1.956790 -1.380826 19 1 0 -5.005519 -2.563731 1.485788 20 6 0 0.406054 -1.437508 0.315060 21 6 0 1.661806 -1.987322 0.160482 22 6 0 2.624830 -1.373803 -0.620522 23 6 0 2.274033 -0.181831 -1.234273 24 6 0 1.023205 0.377893 -1.082316 25 1 0 -0.280889 -1.962627 0.950995 26 1 0 1.894952 -2.909757 0.667148 27 6 0 4.009408 -1.965781 -0.738250 28 1 0 2.994452 0.324710 -1.853120 29 1 0 0.801551 1.298157 -1.577055 30 6 0 4.983300 -1.356908 0.273145 31 6 0 5.286385 0.107646 -0.021915 32 1 0 3.968770 -3.038772 -0.585885 33 1 0 4.381015 -1.813562 -1.746732 34 1 0 4.535635 -1.424687 1.261772 35 1 0 5.900265 -1.940746 0.301481 36 6 0 6.151745 0.765165 1.049891 37 1 0 4.350463 0.656421 -0.118287 38 1 0 5.783308 0.186226 -0.987246 39 1 0 7.083106 0.213255 1.151979 40 1 0 5.653318 0.690768 2.012929 41 6 0 6.457443 2.229571 0.746313 42 1 0 5.546173 2.814030 0.673076 43 1 0 6.993564 2.333383 -0.191664 44 1 0 7.069190 2.666529 1.526964 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6017351 0.1099344 0.0981042 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1745.3217133253 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.64D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.986093 0.165282 0.004374 0.016834 Ang= 19.13 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.109986173 A.U. after 16 cycles NFock= 16 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 0.001191784 -0.001525569 0.000136365 2 6 0.001794861 -0.001148540 0.000788886 3 8 -0.008280714 0.001103566 -0.005042986 4 8 -0.006700750 0.002608107 0.003239984 5 6 -0.000354628 -0.008181264 -0.008182361 6 7 0.003283249 0.005021849 -0.000821434 7 6 -0.001905254 -0.003772622 -0.000383771 8 8 0.004364518 0.003988437 -0.003655166 9 7 -0.001109344 0.000508830 0.002806943 10 6 -0.003803654 -0.000262274 0.000985463 11 6 0.001033780 -0.000042030 0.004310522 12 1 0.001657653 -0.000094336 0.000883166 13 1 -0.000026899 0.000957846 -0.000378172 14 1 0.000780717 0.000582311 0.001186297 15 1 -0.000680732 -0.000244163 -0.000317396 16 1 -0.002956064 -0.000305188 0.003223137 17 6 0.003222005 -0.000784503 -0.002007209 18 1 -0.000847211 0.000100615 0.000505500 19 1 0.006393326 -0.000668050 0.004416233 20 6 0.003994547 -0.002378513 0.000140496 21 6 0.000651630 -0.002187128 0.002862558 22 6 0.000065796 -0.001487605 0.003026044 23 6 -0.004611230 0.004441397 0.001400014 24 6 0.005331652 0.003440823 0.000266804 25 1 0.003041422 0.000233962 -0.001822974 26 1 0.000479363 0.000914033 -0.000432353 27 6 -0.000562304 0.002206586 0.001705501 28 1 0.001468949 0.001136099 0.000758211 29 1 0.000056169 0.001287823 -0.002060353 30 6 0.002886033 -0.000409474 -0.003297645 31 6 -0.001039735 -0.000619193 -0.003349632 32 1 0.002177751 0.000458579 0.000993693 33 1 -0.001910661 0.000207159 0.000018341 34 1 -0.000773011 -0.001767703 0.001395276 35 1 -0.000934953 0.001291576 -0.000524118 36 6 -0.001174850 0.000328391 -0.000182423 37 1 -0.004337483 -0.004611279 -0.000741911 38 1 -0.001112410 0.000282056 0.000146106 39 1 -0.000963561 -0.000041595 0.000013218 40 1 0.000956173 0.000156712 -0.000349194 41 6 -0.000179267 -0.001188436 -0.000122835 42 1 0.000639317 0.000376858 -0.000215234 43 1 -0.000533117 0.000527221 0.000210303 44 1 -0.000672862 -0.000441371 -0.001531894 ------------------------------------------------------------------- Cartesian Forces: Max 0.008280714 RMS 0.002483934 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.019971110 RMS 0.003128747 Search for a local minimum. Step number 9 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 3 4 6 7 9 8 DE= 1.35D-03 DEPred=-7.61D-04 R=-1.77D+00 Trust test=-1.77D+00 RLast= 1.24D+00 DXMaxT set to 6.57D-01 ITU= -1 1 1 1 1 0 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00238 0.00289 0.00289 0.00300 Eigenvalues --- 0.00385 0.00795 0.01394 0.01441 0.01504 Eigenvalues --- 0.01518 0.01543 0.01734 0.01785 0.01879 Eigenvalues --- 0.01904 0.02055 0.02069 0.02093 0.02147 Eigenvalues --- 0.02247 0.02435 0.02467 0.02482 0.02584 Eigenvalues --- 0.02586 0.03403 0.03439 0.03646 0.04282 Eigenvalues --- 0.04731 0.04761 0.04949 0.05173 0.05425 Eigenvalues --- 0.05432 0.05469 0.05484 0.05601 0.05651 Eigenvalues --- 0.06345 0.08238 0.08348 0.08414 0.08625 Eigenvalues --- 0.09291 0.12086 0.12226 0.12256 0.12863 Eigenvalues --- 0.14440 0.15803 0.15992 0.15999 0.15999 Eigenvalues --- 0.16000 0.16000 0.16002 0.16005 0.16017 Eigenvalues --- 0.16096 0.16169 0.16286 0.17931 0.20185 Eigenvalues --- 0.21136 0.21891 0.21962 0.21999 0.22241 Eigenvalues --- 0.22942 0.23358 0.23931 0.24052 0.24526 Eigenvalues --- 0.24904 0.24938 0.24995 0.25909 0.26607 Eigenvalues --- 0.28130 0.28297 0.28764 0.28908 0.29379 Eigenvalues --- 0.30973 0.31647 0.32813 0.33346 0.33535 Eigenvalues --- 0.33559 0.33663 0.33690 0.33697 0.33716 Eigenvalues --- 0.33730 0.33744 0.33747 0.33754 0.33767 Eigenvalues --- 0.33785 0.33823 0.34046 0.35084 0.35546 Eigenvalues --- 0.37791 0.38153 0.38520 0.38530 0.39153 Eigenvalues --- 0.43501 0.44167 0.44302 0.48141 0.49440 Eigenvalues --- 0.50395 0.51600 0.52259 0.54764 0.56119 Eigenvalues --- 0.56655 0.58573 0.66768 0.77785 0.90111 Eigenvalues --- 1.09677 RFO step: Lambda=-1.10433407D-03 EMin= 2.30128075D-03 Quartic linear search produced a step of -0.57381. Iteration 1 RMS(Cart)= 0.24885033 RMS(Int)= 0.00798993 Iteration 2 RMS(Cart)= 0.02734003 RMS(Int)= 0.00012385 Iteration 3 RMS(Cart)= 0.00028862 RMS(Int)= 0.00009475 Iteration 4 RMS(Cart)= 0.00000003 RMS(Int)= 0.00009475 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87002 0.00179 0.00192 -0.00160 0.00031 2.87033 R2 2.63884 -0.00045 0.00048 -0.00087 -0.00040 2.63845 R3 2.75748 0.00369 0.00373 0.00014 0.00387 2.76135 R4 2.03357 0.00082 0.00141 -0.00061 0.00081 2.03438 R5 2.04395 0.00101 0.00148 -0.00074 0.00074 2.04469 R6 2.04976 0.00127 0.00148 -0.00057 0.00091 2.05068 R7 2.04686 0.00099 0.00138 -0.00065 0.00073 2.04759 R8 1.77753 0.00776 0.00617 -0.00188 0.00430 1.78183 R9 2.25886 0.00294 0.00095 -0.00159 -0.00064 2.25822 R10 2.61674 0.00456 0.00349 0.00012 0.00367 2.62041 R11 2.77859 0.00016 0.00482 -0.00232 0.00253 2.78112 R12 2.57021 0.00439 0.00282 0.00048 0.00333 2.57355 R13 1.88643 0.00008 0.00003 0.00027 0.00030 1.88673 R14 2.25950 0.00627 0.00250 -0.00166 0.00084 2.26035 R15 2.58194 0.00822 0.00359 0.00064 0.00420 2.58614 R16 2.59443 0.00300 0.00239 -0.00062 0.00172 2.59615 R17 2.53716 -0.00375 -0.00118 -0.00144 -0.00265 2.53451 R18 2.01320 0.00300 0.00062 0.00191 0.00254 2.01573 R19 2.82997 -0.00715 0.00007 -0.00628 -0.00621 2.82376 R20 2.63178 -0.00047 0.00750 -0.00808 -0.00058 2.63120 R21 2.63279 0.00056 -0.00207 0.00144 -0.00063 2.63215 R22 2.60693 0.00420 -0.00213 0.00298 0.00084 2.60777 R23 2.02832 0.00176 0.00000 0.00157 0.00158 2.02989 R24 2.61424 0.00704 0.00905 -0.00348 0.00557 2.61982 R25 2.03701 -0.00100 -0.00124 0.00030 -0.00094 2.03607 R26 2.61885 0.00524 -0.00314 0.00447 0.00133 2.62019 R27 2.85427 0.00580 0.00379 0.00193 0.00573 2.86000 R28 2.60546 0.00498 0.00951 -0.00583 0.00368 2.60914 R29 2.03403 -0.00090 -0.00013 -0.00066 -0.00078 2.03325 R30 2.01837 0.00232 -0.00016 0.00138 0.00123 2.01959 R31 2.89203 0.01244 0.00562 0.00352 0.00914 2.90117 R32 2.04944 0.00092 0.00281 -0.00152 0.00129 2.05073 R33 2.05129 0.00133 0.00066 0.00029 0.00095 2.05224 R34 2.88073 0.00532 0.00433 -0.00080 0.00353 2.88426 R35 2.05484 0.00046 0.00027 -0.00036 -0.00009 2.05475 R36 2.05494 -0.00008 0.00080 -0.00052 0.00028 2.05521 R37 2.88451 0.00232 0.00309 -0.00150 0.00159 2.88609 R38 2.05832 -0.00538 -0.00205 -0.00215 -0.00420 2.05412 R39 2.05709 0.00100 0.00063 -0.00001 0.00062 2.05771 R40 2.05491 0.00077 0.00072 -0.00030 0.00042 2.05533 R41 2.05399 0.00063 0.00115 -0.00052 0.00063 2.05463 R42 2.88460 0.00131 0.00162 -0.00112 0.00050 2.88510 R43 2.05048 0.00076 0.00111 -0.00042 0.00069 2.05116 R44 2.05103 0.00077 0.00099 -0.00034 0.00065 2.05168 R45 2.04805 0.00153 0.00181 -0.00076 0.00105 2.04910 A1 1.95726 -0.00022 -0.00164 0.00049 -0.00115 1.95611 A2 1.94182 0.00254 0.00246 0.00026 0.00272 1.94454 A3 1.92955 -0.00123 -0.00210 0.00057 -0.00153 1.92802 A4 1.85844 -0.00251 -0.00335 0.00100 -0.00235 1.85609 A5 1.93412 0.00066 0.00083 -0.00238 -0.00156 1.93256 A6 1.83794 0.00084 0.00417 0.00003 0.00420 1.84213 A7 1.92391 0.00004 -0.00003 0.00002 -0.00001 1.92389 A8 1.91639 0.00129 0.00340 -0.00114 0.00227 1.91865 A9 1.93314 -0.00030 -0.00070 0.00040 -0.00030 1.93284 A10 1.88596 -0.00048 0.00008 -0.00002 0.00006 1.88602 A11 1.91053 -0.00012 -0.00205 0.00060 -0.00145 1.90908 A12 1.89303 -0.00044 -0.00072 0.00014 -0.00058 1.89245 A13 1.91856 -0.00136 -0.00361 0.00182 -0.00179 1.91678 A14 2.05409 0.00744 0.00304 0.00295 0.00622 2.06031 A15 2.22976 -0.00506 -0.00122 -0.00099 -0.00197 2.22779 A16 1.99746 -0.00219 -0.00076 -0.00297 -0.00349 1.99397 A17 2.25392 -0.00142 -0.00018 0.00043 0.00027 2.25418 A18 2.01657 0.00003 -0.00138 0.00059 -0.00074 2.01583 A19 2.01192 0.00140 0.00192 -0.00127 0.00070 2.01262 A20 2.15057 -0.00346 -0.00390 0.00051 -0.00331 2.14726 A21 1.98250 0.00064 0.00059 -0.00001 0.00052 1.98301 A22 2.15008 0.00283 0.00331 -0.00057 0.00283 2.15290 A23 2.04493 0.00444 0.00684 -0.00266 0.00488 2.04980 A24 2.11010 -0.00281 -0.00174 0.00003 -0.00097 2.10914 A25 2.11820 -0.00155 -0.00011 -0.00041 -0.00005 2.11814 A26 2.19154 -0.00157 0.00078 -0.00230 -0.00169 2.18985 A27 1.95859 0.00360 0.00287 0.00234 0.00530 1.96388 A28 2.13283 -0.00202 -0.00362 -0.00014 -0.00368 2.12915 A29 2.02044 0.00613 0.00081 0.00447 0.00521 2.02565 A30 2.13080 -0.00438 0.00090 -0.00160 -0.00063 2.13017 A31 2.13160 -0.00174 -0.00154 -0.00302 -0.00450 2.12711 A32 2.11358 -0.00136 -0.00085 -0.00346 -0.00430 2.10927 A33 2.13133 -0.00244 0.00208 0.00003 0.00212 2.13345 A34 2.03824 0.00380 -0.00122 0.00343 0.00220 2.04045 A35 2.12475 -0.00213 0.00054 -0.00211 -0.00158 2.12317 A36 2.11627 -0.00191 -0.00104 -0.00393 -0.00496 2.11131 A37 2.04203 0.00404 0.00059 0.00606 0.00665 2.04868 A38 2.11785 0.00096 0.00078 0.00086 0.00166 2.11951 A39 2.07747 -0.00091 -0.00259 0.00043 -0.00215 2.07532 A40 2.08783 -0.00006 0.00182 -0.00133 0.00051 2.08834 A41 2.04346 -0.00127 -0.00127 -0.00074 -0.00208 2.04138 A42 2.10403 -0.00152 0.00492 -0.00539 -0.00056 2.10347 A43 2.13486 0.00286 -0.00317 0.00674 0.00347 2.13833 A44 2.12941 -0.00101 0.00032 -0.00035 -0.00003 2.12938 A45 2.08286 0.00159 0.00223 0.00155 0.00376 2.08662 A46 2.07091 -0.00058 -0.00254 -0.00125 -0.00380 2.06711 A47 2.11257 -0.00034 0.00090 -0.00108 -0.00017 2.11241 A48 2.09112 0.00012 0.00189 -0.00010 0.00178 2.09290 A49 2.07945 0.00022 -0.00277 0.00119 -0.00158 2.07787 A50 1.95617 0.01876 0.02160 0.01066 0.03217 1.98834 A51 1.92034 -0.00813 -0.00830 -0.01065 -0.01873 1.90160 A52 1.90845 -0.00397 -0.00260 0.00482 0.00189 1.91034 A53 1.90141 -0.00593 -0.00218 -0.01297 -0.01498 1.88643 A54 1.91807 -0.00422 -0.00839 0.00932 0.00066 1.91874 A55 1.85677 0.00258 -0.00157 -0.00190 -0.00344 1.85333 A56 1.96150 0.01997 0.01371 0.01329 0.02706 1.98856 A57 1.89027 -0.00456 0.01002 -0.00236 0.00764 1.89791 A58 1.91795 -0.00729 -0.01393 -0.00438 -0.01825 1.89970 A59 1.89412 -0.00364 0.00714 -0.00182 0.00531 1.89943 A60 1.93179 -0.00802 -0.01176 -0.00482 -0.01652 1.91527 A61 1.86502 0.00283 -0.00595 -0.00051 -0.00655 1.85847 A62 1.97213 0.00057 -0.00002 -0.00197 -0.00199 1.97015 A63 1.90745 0.00152 0.00322 0.00256 0.00577 1.91322 A64 1.90896 -0.00027 -0.00144 0.00070 -0.00076 1.90821 A65 1.90947 -0.00186 -0.00083 -0.00401 -0.00483 1.90464 A66 1.91006 -0.00066 -0.00157 -0.00061 -0.00218 1.90787 A67 1.85190 0.00071 0.00069 0.00370 0.00438 1.85628 A68 1.91013 -0.00021 -0.00002 -0.00016 -0.00018 1.90995 A69 1.90994 -0.00072 -0.00091 -0.00004 -0.00095 1.90899 A70 1.96832 0.00157 0.00175 -0.00098 0.00077 1.96909 A71 1.84922 0.00058 0.00168 0.00089 0.00257 1.85179 A72 1.91140 -0.00077 -0.00119 0.00019 -0.00100 1.91040 A73 1.91103 -0.00051 -0.00131 0.00022 -0.00110 1.90993 A74 1.94118 -0.00036 -0.00070 0.00057 -0.00014 1.94105 A75 1.94180 -0.00032 -0.00089 0.00064 -0.00026 1.94155 A76 1.93540 0.00127 0.00308 -0.00099 0.00209 1.93749 A77 1.88072 0.00011 -0.00093 0.00015 -0.00077 1.87995 A78 1.88126 -0.00036 -0.00027 -0.00024 -0.00051 1.88074 A79 1.88085 -0.00038 -0.00037 -0.00014 -0.00051 1.88034 D1 -3.13313 0.00066 0.00313 -0.00089 0.00224 -3.13089 D2 1.07426 0.00042 0.00093 -0.00017 0.00076 1.07501 D3 -1.01603 0.00033 0.00007 0.00013 0.00020 -1.01583 D4 -1.05373 -0.00095 -0.00056 0.00088 0.00032 -1.05341 D5 -3.12953 -0.00119 -0.00276 0.00160 -0.00116 -3.13069 D6 1.06336 -0.00128 -0.00361 0.00191 -0.00171 1.06165 D7 0.98202 0.00087 0.00481 0.00143 0.00624 0.98826 D8 -1.09378 0.00064 0.00261 0.00215 0.00476 -1.08902 D9 3.09912 0.00055 0.00175 0.00246 0.00421 3.10333 D10 -1.08128 0.00090 -0.00165 0.00280 0.00114 -1.08014 D11 3.07416 -0.00044 -0.00149 0.00152 0.00003 3.07419 D12 1.08421 -0.00037 -0.00498 0.00212 -0.00285 1.08135 D13 1.55932 0.00031 0.03656 -0.01584 0.02067 1.58000 D14 -1.43308 -0.00008 -0.01849 0.00687 -0.01158 -1.44466 D15 -2.58636 -0.00007 0.03384 -0.01443 0.01935 -2.56700 D16 0.70442 -0.00046 -0.02122 0.00827 -0.01290 0.69152 D17 -0.53169 -0.00008 0.03520 -0.01668 0.01848 -0.51321 D18 2.75909 -0.00047 -0.01985 0.00603 -0.01377 2.74532 D19 -3.12031 -0.00144 -0.01340 0.00500 -0.00836 -3.12867 D20 0.06611 -0.00183 -0.02764 0.01234 -0.01526 0.05085 D21 -0.03926 0.00136 0.01681 -0.01132 0.00547 -0.03379 D22 -3.13603 0.00096 0.00257 -0.00399 -0.00143 -3.13746 D23 3.06920 0.00291 0.03278 -0.01303 0.01976 3.08896 D24 -0.04495 0.00256 0.02307 -0.00675 0.01636 -0.02859 D25 -0.00457 -0.00076 -0.00108 0.00511 0.00401 -0.00056 D26 -3.11872 -0.00111 -0.01079 0.01138 0.00061 -3.11811 D27 -3.07591 -0.00002 -0.01656 0.00702 -0.00946 -3.08537 D28 0.07526 -0.00115 -0.02774 0.01425 -0.01348 0.06179 D29 0.02096 0.00034 -0.00238 -0.00026 -0.00260 0.01836 D30 -3.11106 -0.00079 -0.01356 0.00696 -0.00662 -3.11768 D31 -3.06017 0.00005 -0.03191 0.01156 -0.02022 -3.08039 D32 -0.06850 0.00033 0.02337 -0.01122 0.01213 -0.05637 D33 0.09100 -0.00104 -0.04313 0.01878 -0.02421 0.06678 D34 3.08267 -0.00076 0.01214 -0.00400 0.00813 3.09080 D35 3.02047 0.00098 0.04619 -0.01636 0.03000 3.05047 D36 -0.14383 0.00151 0.04769 -0.02134 0.02650 -0.11733 D37 0.03437 0.00007 -0.01140 0.00749 -0.00394 0.03043 D38 -3.12993 0.00060 -0.00990 0.00252 -0.00744 -3.13738 D39 0.00533 0.00013 -0.00074 -0.00399 -0.00469 0.00064 D40 3.11947 0.00043 0.00899 -0.01025 -0.00123 3.11824 D41 -3.11142 -0.00052 -0.00246 0.00143 -0.00099 -3.11240 D42 0.00272 -0.00021 0.00727 -0.00483 0.00247 0.00519 D43 2.67473 -0.00113 0.21838 -0.09758 0.12080 2.79553 D44 -0.47579 -0.00158 0.22116 -0.09700 0.12414 -0.35166 D45 -0.43768 -0.00162 0.20805 -0.09102 0.11704 -0.32063 D46 2.69499 -0.00207 0.21082 -0.09044 0.12038 2.81537 D47 3.12238 -0.00051 0.00897 -0.00110 0.00788 3.13027 D48 -0.03786 -0.00049 0.01926 0.00023 0.01946 -0.01840 D49 -0.01074 -0.00005 0.00633 -0.00163 0.00471 -0.00602 D50 3.11221 -0.00003 0.01662 -0.00030 0.01629 3.12850 D51 -3.11855 0.00014 -0.01089 0.00132 -0.00957 -3.12812 D52 0.01321 0.00036 -0.00651 0.00202 -0.00451 0.00871 D53 0.01447 -0.00031 -0.00823 0.00184 -0.00639 0.00809 D54 -3.13694 -0.00009 -0.00385 0.00254 -0.00132 -3.13827 D55 0.00116 0.00075 -0.00060 0.00688 0.00627 0.00743 D56 3.13398 0.00037 0.00751 0.00029 0.00777 -3.14144 D57 -3.12254 0.00079 -0.01046 0.00570 -0.00479 -3.12733 D58 0.01027 0.00041 -0.00236 -0.00089 -0.00329 0.00698 D59 0.00490 -0.00107 -0.00336 -0.01176 -0.01510 -0.01020 D60 3.10368 0.00055 0.01951 0.00422 0.02357 3.12725 D61 -3.12786 -0.00068 -0.01152 -0.00514 -0.01660 3.13872 D62 -0.02908 0.00094 0.01134 0.01084 0.02207 -0.00701 D63 -0.00107 0.00069 0.00141 0.01206 0.01346 0.01239 D64 -3.13785 0.00133 -0.00085 0.02332 0.02251 -3.11534 D65 -3.09903 -0.00083 -0.02191 -0.00389 -0.02594 -3.12497 D66 0.04737 -0.00020 -0.02416 0.00737 -0.01689 0.03049 D67 -1.64010 0.00316 0.20052 -0.06605 0.13453 -1.50557 D68 0.47840 0.00260 0.20648 -0.08279 0.12366 0.60206 D69 2.51171 -0.00125 0.19845 -0.08839 0.11000 2.62171 D70 1.45639 0.00475 0.22461 -0.04943 0.17526 1.63165 D71 -2.70830 0.00419 0.23057 -0.06617 0.16439 -2.54391 D72 -0.67499 0.00034 0.22254 -0.07177 0.15073 -0.52427 D73 -0.00894 0.00002 0.00455 -0.00733 -0.00282 -0.01176 D74 -3.14077 -0.00020 0.00019 -0.00802 -0.00786 3.13456 D75 3.12788 -0.00061 0.00679 -0.01851 -0.01176 3.11612 D76 -0.00396 -0.00082 0.00243 -0.01920 -0.01680 -0.02075 D77 -1.18508 -0.00476 0.01081 -0.03199 -0.02131 -1.20639 D78 0.90721 0.00003 0.03590 -0.02761 0.00815 0.91536 D79 2.93865 -0.00318 0.02670 -0.03197 -0.00535 2.93329 D80 2.96876 -0.00272 0.00849 -0.01657 -0.00805 2.96071 D81 -1.22214 0.00206 0.03357 -0.01218 0.02141 -1.20072 D82 0.80930 -0.00115 0.02438 -0.01654 0.00791 0.81721 D83 0.94080 -0.00007 0.01619 -0.01209 0.00416 0.94496 D84 3.03309 0.00472 0.04127 -0.00771 0.03362 3.06671 D85 -1.21866 0.00151 0.03208 -0.01206 0.02012 -1.19854 D86 3.04770 0.00238 0.05274 -0.00609 0.04666 3.09436 D87 0.91725 0.00328 0.05149 -0.00146 0.05005 0.96730 D88 -1.10318 0.00173 0.04966 -0.00771 0.04197 -1.06122 D89 0.95765 -0.00192 0.02600 -0.01020 0.01580 0.97345 D90 -1.17281 -0.00102 0.02475 -0.00556 0.01920 -1.15361 D91 3.08995 -0.00257 0.02292 -0.01182 0.01111 3.10106 D92 -1.08375 0.00137 0.03568 -0.00576 0.02990 -1.05386 D93 3.06898 0.00228 0.03443 -0.00112 0.03329 3.10227 D94 1.04855 0.00072 0.03261 -0.00737 0.02521 1.07375 D95 1.00476 -0.00041 0.00144 -0.00232 -0.00088 1.00388 D96 -1.01451 -0.00059 -0.00005 -0.00327 -0.00332 -1.01784 D97 3.13702 -0.00049 0.00110 -0.00286 -0.00176 3.13526 D98 3.13408 0.00058 0.00496 -0.00327 0.00170 3.13577 D99 1.11481 0.00041 0.00347 -0.00422 -0.00075 1.11405 D100 -1.01685 0.00051 0.00462 -0.00381 0.00081 -1.01603 D101 -1.12693 0.00002 0.00444 -0.00143 0.00301 -1.12392 D102 3.13699 -0.00016 0.00295 -0.00238 0.00056 3.13755 D103 1.00533 -0.00006 0.00410 -0.00197 0.00213 1.00746 D104 1.04468 -0.00031 -0.00033 0.00003 -0.00030 1.04438 D105 -1.05217 0.00001 0.00192 -0.00098 0.00094 -1.05122 D106 3.13790 -0.00015 0.00092 -0.00056 0.00036 3.13826 D107 -3.10696 -0.00006 -0.00001 -0.00071 -0.00072 -3.10768 D108 1.07938 0.00025 0.00223 -0.00172 0.00052 1.07990 D109 -1.01374 0.00010 0.00124 -0.00130 -0.00006 -1.01380 D110 -1.08636 -0.00009 0.00060 0.00059 0.00118 -1.08518 D111 3.09998 0.00023 0.00284 -0.00042 0.00243 3.10240 D112 1.00686 0.00007 0.00185 -0.00001 0.00184 1.00870 Item Value Threshold Converged? Maximum Force 0.019971 0.000450 NO RMS Force 0.003129 0.000300 NO Maximum Displacement 1.075347 0.001800 NO RMS Displacement 0.267682 0.001200 NO Predicted change in Energy=-1.527895D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.015746 -4.784553 2.324742 2 6 0 7.212796 -3.779217 3.446158 3 8 0 6.766162 -6.069721 2.809968 4 8 0 2.812601 -3.191804 -0.736009 5 6 0 3.655559 -3.584185 0.014646 6 7 0 4.978437 -3.290160 -0.279251 7 6 0 6.107072 -3.631555 0.402145 8 8 0 7.199665 -3.269371 0.076912 9 7 0 5.871610 -4.431874 1.487003 10 6 0 4.594289 -4.775441 1.858232 11 6 0 3.473586 -4.415619 1.215278 12 1 0 7.866857 -4.784795 1.665527 13 1 0 7.393090 -2.793628 3.037699 14 1 0 8.073512 -4.057618 4.045537 15 1 0 5.123258 -2.723652 -1.088527 16 1 0 4.574005 -5.398882 2.723515 17 6 0 2.122993 -4.860393 1.674538 18 1 0 6.342331 -3.747661 4.090634 19 1 0 7.505180 -6.371046 3.312088 20 6 0 1.982975 -5.947433 2.533278 21 6 0 0.744866 -6.364025 2.978098 22 6 0 -0.418952 -5.723040 2.582339 23 6 0 -0.280487 -4.638053 1.730206 24 6 0 0.953762 -4.215597 1.278005 25 1 0 2.840497 -6.499545 2.870434 26 1 0 0.687776 -7.210668 3.642040 27 6 0 -1.767371 -6.208960 3.068308 28 1 0 -1.154579 -4.094847 1.416269 29 1 0 1.005258 -3.377384 0.617010 30 6 0 -2.373299 -7.326894 2.208065 31 6 0 -2.810093 -6.871208 0.818425 32 1 0 -1.663049 -6.582734 4.081751 33 1 0 -2.455347 -5.370531 3.124145 34 1 0 -1.639898 -8.122606 2.102053 35 1 0 -3.220835 -7.756857 2.736865 36 6 0 -3.348065 -8.014418 -0.039577 37 1 0 -1.971631 -6.405818 0.306618 38 1 0 -3.575287 -6.102556 0.915079 39 1 0 -4.183859 -8.487580 0.470827 40 1 0 -2.583330 -8.780705 -0.140176 41 6 0 -3.792772 -7.555550 -1.426148 42 1 0 -2.969655 -7.108654 -1.974709 43 1 0 -4.585696 -6.816825 -1.360495 44 1 0 -4.165676 -8.389342 -2.010546 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518915 0.000000 3 O 1.396206 2.418807 0.000000 4 O 5.437966 6.098957 6.040447 0.000000 5 C 4.250680 4.946437 4.864932 1.195000 0.000000 6 N 3.628308 4.371522 4.523847 2.215660 1.386662 7 C 2.418981 3.241981 3.489507 3.513164 2.482401 8 O 2.717047 3.407628 3.936938 4.462419 3.558605 9 N 1.461245 2.462322 2.287576 3.979584 2.792363 10 C 2.466003 3.220333 2.701480 3.523124 2.387282 11 C 3.730137 4.400400 4.014990 2.396277 1.471705 12 H 1.076547 2.147004 2.042623 5.818118 4.679946 13 H 2.148134 1.082003 3.343305 5.948134 4.871649 14 H 2.146727 1.085171 2.698954 7.161704 5.999211 15 H 4.413528 5.103307 5.393845 2.383815 2.027719 16 H 2.549220 3.179425 2.294134 4.465651 3.387424 17 C 4.936350 5.496696 4.930588 3.011724 2.594746 18 H 2.155691 1.083538 2.685460 6.005368 4.884582 19 H 1.931672 2.611713 0.942904 6.965268 5.784401 20 C 5.169580 5.734591 4.792743 4.355457 3.837445 21 C 6.499657 6.981005 6.030828 5.304065 4.998170 22 C 7.498124 7.922639 7.197074 5.278402 5.269668 23 C 7.321882 7.735075 7.271233 4.212012 4.421114 24 C 6.177947 6.638284 6.290364 2.925694 3.048683 25 H 4.546612 5.181567 3.949589 4.893706 4.161632 26 H 6.903949 7.374897 6.240262 6.311376 5.925969 27 C 8.928885 9.310737 8.538578 6.674744 6.754441 28 H 8.249560 8.615860 8.281344 4.602858 5.036145 29 H 6.404876 6.833671 6.726496 2.265300 2.725748 30 C 9.727861 10.296218 9.245135 7.256728 7.427388 31 C 10.157275 10.813126 9.813934 6.897026 7.297619 32 H 9.035598 9.329754 8.540036 7.398693 7.336228 33 H 9.522815 9.803517 9.253312 6.884687 7.085421 34 H 9.279675 9.951976 8.682011 7.224414 7.279863 35 H 10.667334 11.188626 10.128765 8.324837 8.491553 36 C 11.109933 11.900380 10.686409 7.854707 8.287380 37 H 9.352768 10.055319 9.095535 5.857118 6.301757 38 H 10.765420 11.321970 10.513670 7.211358 7.709612 39 H 11.940710 12.684834 11.455155 8.857322 9.257854 40 H 10.685846 11.568956 10.171813 7.791463 8.121055 41 C 11.771647 12.614380 11.473598 7.946668 8.563018 42 H 11.117327 12.006384 10.897644 7.092995 7.763562 43 H 12.341173 13.097152 12.116749 8.262297 8.958754 44 H 12.522517 13.434973 12.170582 8.794043 9.400142 6 7 8 9 10 6 N 0.000000 7 C 1.361863 0.000000 8 O 2.249697 1.196124 0.000000 9 N 2.284934 1.368528 2.259093 0.000000 10 C 2.631058 2.391062 3.497046 1.373826 0.000000 11 C 2.401011 2.865518 4.061210 2.413424 1.341207 12 H 3.789336 2.454167 2.294636 2.034069 3.278250 13 H 4.132705 3.049935 3.004997 2.720921 3.626571 14 H 5.373293 4.162057 4.139436 3.396253 4.171878 15 H 0.998414 2.003567 2.442851 3.179844 3.629467 16 H 3.691460 3.295831 4.293415 2.036626 1.066679 17 C 3.799537 4.359119 5.554850 3.777688 2.479570 18 H 4.600588 3.697806 4.132039 2.732877 3.015891 19 H 5.364141 4.234062 4.492226 3.124080 3.623939 20 C 4.893282 5.187793 6.357641 4.302683 2.940784 21 C 6.162962 6.546387 7.723872 5.678034 4.312280 22 C 6.575669 7.191422 8.386953 6.514449 5.153141 23 C 5.788870 6.601341 7.781989 6.160353 4.878392 24 C 4.413558 5.259738 6.430340 4.927036 3.728743 25 H 4.979102 4.998833 6.102469 3.921325 2.659487 26 H 7.011183 7.257806 8.405275 6.264025 4.936916 27 C 8.076601 8.703925 9.899362 8.000787 6.632494 28 H 6.413751 7.346746 8.501099 7.034623 5.805861 29 H 4.073946 5.112658 6.218846 5.054722 4.046769 30 C 8.748142 9.425157 10.613526 8.768101 7.428296 31 C 8.642338 9.496551 10.663880 9.042639 7.765199 32 H 8.600507 9.089761 10.274474 8.254090 6.882196 33 H 8.436361 9.151412 10.340201 8.538121 7.187074 34 H 8.533786 9.114537 10.285570 8.391813 7.080116 35 H 9.812054 10.463216 11.653312 9.761670 8.410529 36 C 9.576361 10.430927 11.566488 10.008370 8.784853 37 H 7.638980 8.542313 9.695501 8.173505 6.940961 38 H 9.083072 10.005850 11.172692 9.610522 8.330231 39 H 10.560467 11.379322 12.528746 10.890078 9.631238 40 H 9.345894 10.115876 11.230713 9.646037 8.458959 41 C 9.820542 10.804968 11.893872 10.566176 9.426503 42 H 8.979290 10.006330 11.061840 9.864916 8.794804 43 H 10.250809 11.295492 12.391340 11.097363 9.939798 44 H 10.611967 11.575275 12.638930 11.342024 10.235464 11 12 13 14 15 11 C 0.000000 12 H 4.431686 0.000000 13 H 4.616772 2.464154 0.000000 14 H 5.412749 2.497186 1.753962 0.000000 15 H 3.300256 4.400052 4.709859 6.069767 0.000000 16 H 2.110096 3.512736 3.851403 3.974076 4.689371 17 C 1.494271 5.744368 5.822684 6.455599 4.604539 18 H 4.116252 3.046467 1.767186 1.759288 5.418343 19 H 4.947126 2.314771 3.589676 2.492569 6.192127 20 C 2.511075 6.060097 6.282537 6.553851 5.776816 21 C 3.788104 7.412123 7.546534 7.756803 6.997147 22 C 4.327824 8.389009 8.355646 8.777045 7.292989 23 C 3.795747 8.148922 7.999702 8.688324 6.388322 24 C 2.528529 6.947304 6.825209 7.640355 5.021063 25 H 2.735524 5.445775 5.872641 5.893074 5.928046 26 H 4.632733 7.831389 8.052125 8.040748 7.885751 27 C 5.841012 9.839430 9.776476 10.120585 8.769688 28 H 4.643620 9.051213 8.796867 9.595421 6.896769 29 H 2.743811 7.082494 6.856012 7.885285 4.504902 30 C 6.606604 10.564914 10.799128 11.099564 9.394452 31 C 6.758109 10.911827 11.209674 11.695444 9.152964 32 H 6.268818 9.994490 9.872236 10.058735 9.363667 33 H 6.301418 10.441194 10.180354 10.650332 9.065750 34 H 6.377761 10.085133 10.529403 10.707548 9.223274 35 H 7.635075 11.528999 11.720902 11.956557 10.468556 36 C 7.814150 11.794588 12.332830 12.759186 10.042699 37 H 5.868300 10.063309 10.402150 10.972623 8.114323 38 H 7.254136 11.542198 11.651602 12.234217 9.544429 39 H 8.704685 12.663241 13.154303 13.514668 11.057888 40 H 7.587981 11.332884 12.061216 12.385314 9.847779 41 C 8.344835 12.376691 12.950883 13.527142 10.146764 42 H 7.677488 11.665403 12.293502 12.942323 9.247097 43 H 8.795023 12.975054 13.379893 14.039015 10.540010 44 H 9.195365 13.087709 13.798619 14.326119 10.919453 16 17 18 19 20 16 H 0.000000 17 C 2.719887 0.000000 18 H 2.778942 4.987836 0.000000 19 H 3.143773 5.825082 2.973298 0.000000 20 C 2.655284 1.392370 5.125264 5.592918 0.000000 21 C 3.957097 2.420623 6.278113 6.768563 1.379975 22 C 5.005460 2.833681 7.203612 7.984003 2.412885 23 C 5.013145 2.414384 7.087040 8.131557 2.735446 24 C 4.073797 1.392875 6.096435 7.190586 2.373656 25 H 2.058663 2.152161 4.617856 4.687306 1.074172 26 H 4.385092 3.384480 6.645874 6.876832 2.121947 27 C 6.402200 4.346972 8.536417 9.277171 3.797335 28 H 6.018810 3.375684 7.967210 9.152412 3.811041 29 H 4.610832 2.137057 6.378676 7.646858 3.351591 30 C 7.228275 5.156057 9.608183 9.985833 4.581027 31 C 7.766725 5.395521 10.209347 10.624188 5.173741 32 H 6.492084 4.805752 8.492575 9.202913 4.011842 33 H 7.040816 4.829368 8.998163 10.012414 4.514492 34 H 6.813037 4.998415 9.317219 9.389600 4.247652 35 H 8.143694 6.170457 10.457556 10.830454 5.513176 36 C 8.788339 6.543587 11.365193 11.477249 6.269928 37 H 7.049870 4.585356 9.513492 9.942032 4.561474 38 H 8.377145 5.881339 10.676555 11.339951 5.791107 39 H 9.555880 7.374401 12.098368 12.214176 6.981110 40 H 8.418129 6.388388 11.085968 10.931724 6.002160 41 C 9.585087 7.202389 12.151346 12.308438 7.184870 42 H 9.050052 6.656331 11.610243 11.756549 6.796979 43 H 10.128664 7.618763 12.591916 12.970005 7.685360 44 H 10.379606 8.098190 13.007221 12.985100 8.025906 21 22 23 24 25 21 C 0.000000 22 C 1.386347 0.000000 23 C 2.363802 1.386542 0.000000 24 C 2.747671 2.420334 1.380698 0.000000 25 H 2.102766 3.363029 3.808650 3.363334 0.000000 26 H 1.077443 2.135615 3.348282 3.824900 2.394844 27 C 2.518634 1.513446 2.543440 3.818802 4.621260 28 H 3.346098 2.133514 1.075949 2.116317 4.884445 29 H 3.816093 3.375352 2.116988 1.068723 4.265432 30 C 3.353061 2.555758 3.440650 4.649141 5.320423 31 C 4.190365 3.185473 3.495315 4.629264 6.023126 32 H 2.657807 2.129574 3.350078 4.506887 4.664347 33 H 3.354060 2.136520 2.685070 4.045260 5.420793 34 H 3.089848 2.734831 3.758773 4.761391 4.826870 35 H 4.210102 3.465665 4.402947 5.665338 6.191802 36 C 5.346236 4.550226 4.893056 5.888359 7.004377 37 H 3.810238 2.838292 2.830470 3.781347 5.453303 38 H 4.794595 3.589741 3.696608 4.919819 6.718876 39 H 5.923531 5.125981 5.625051 6.730269 7.684528 40 H 5.161479 4.630975 5.095387 5.946635 6.609490 41 C 6.434849 5.550561 5.550721 6.402915 7.973457 42 H 6.235578 5.403026 5.202104 5.860301 7.589749 43 H 6.887911 5.839868 5.730122 6.664358 8.552764 44 H 7.287105 6.499361 6.569634 7.378574 8.745385 26 27 28 29 30 26 H 0.000000 27 C 2.712994 0.000000 28 H 4.249315 2.752131 0.000000 29 H 4.893432 4.659846 2.412150 0.000000 30 C 3.382303 1.535233 3.543776 5.435507 0.000000 31 C 4.508118 2.566674 3.287297 5.177285 1.526283 32 H 2.472656 1.085199 3.681429 5.422045 2.137505 33 H 3.678796 1.085998 2.497240 4.715310 2.161779 34 H 2.936198 2.147542 4.114448 5.631993 1.087324 35 H 4.049062 2.149045 4.407233 6.444644 1.087573 36 C 5.521624 3.926476 4.721642 6.394108 2.544553 37 H 4.341114 2.776221 2.690629 4.257890 2.150632 38 H 5.180535 2.813588 3.184637 5.338240 2.148393 39 H 5.951464 4.216447 5.419087 7.284395 2.764654 40 H 5.241212 4.192138 5.140147 6.530481 2.769822 41 C 6.773536 5.110351 5.197679 6.682265 3.908285 42 H 6.703364 5.261839 4.886334 6.036499 4.230705 43 H 7.279422 5.284577 5.185764 6.855586 4.229597 44 H 7.543011 6.025005 6.265178 7.665660 4.705113 31 32 33 34 35 31 C 0.000000 32 H 3.471056 0.000000 33 H 2.773846 1.736139 0.000000 34 H 2.140808 2.508176 3.046891 0.000000 35 H 2.152556 2.369384 2.535845 1.742447 0.000000 36 C 1.527255 4.677001 4.218556 2.741554 2.791264 37 H 1.086992 3.791853 3.040437 2.506192 3.048264 38 H 1.088893 3.730287 2.582654 3.038954 2.486213 39 H 2.149585 4.798093 4.443404 3.043984 2.568326 40 H 2.148608 4.847954 4.722441 2.520069 3.119622 41 C 2.544030 5.984902 5.221895 4.171885 4.206937 42 H 2.807745 6.218080 5.411459 4.406398 4.762582 43 H 2.811301 6.181805 5.171281 4.729908 4.419827 44 H 3.485027 6.829573 6.197056 4.833651 4.881667 36 37 38 39 40 36 C 0.000000 37 H 2.145231 0.000000 38 H 2.149003 1.741811 0.000000 39 H 1.087633 3.042146 2.501211 0.000000 40 H 1.087261 2.492767 3.044671 1.738085 0.000000 41 C 1.526730 2.764221 2.764025 2.149452 2.148832 42 H 2.169871 2.587370 3.119278 3.058819 2.512073 43 H 2.170434 3.127543 2.590240 2.511302 3.058672 44 H 2.166513 3.757320 3.759951 2.483384 2.480982 41 42 43 44 41 C 0.000000 42 H 1.085429 0.000000 43 H 1.085704 1.753285 0.000000 44 H 1.084337 1.752687 1.752653 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.712731 -1.019204 0.695298 2 6 0 -5.282912 -1.632935 -0.571718 3 8 0 -4.119657 -1.976179 1.521043 4 8 0 -0.987931 2.695847 -0.681561 5 6 0 -1.722364 1.796362 -0.399499 6 7 0 -3.048281 2.097961 -0.127815 7 6 0 -4.064852 1.263673 0.226047 8 8 0 -5.190395 1.637139 0.382215 9 7 0 -3.673962 -0.037328 0.391789 10 6 0 -2.381705 -0.432656 0.144434 11 6 0 -1.380937 0.373864 -0.238746 12 1 0 -5.475629 -0.477060 1.227293 13 1 0 -5.724648 -0.865322 -1.193306 14 1 0 -6.058246 -2.349025 -0.319395 15 1 0 -3.301327 3.057849 -0.234652 16 1 0 -2.233655 -1.475185 0.314787 17 6 0 0.005512 -0.138509 -0.458008 18 1 0 -4.510088 -2.147441 -1.130359 19 1 0 -4.765608 -2.605500 1.796310 20 6 0 0.408373 -1.359502 0.076385 21 6 0 1.680381 -1.854487 -0.126875 22 6 0 2.619662 -1.152854 -0.866754 23 6 0 2.218440 0.061393 -1.402594 24 6 0 0.948836 0.565762 -1.202483 25 1 0 -0.262675 -1.950927 0.671158 26 1 0 1.945106 -2.804443 0.307162 27 6 0 4.014661 -1.706676 -1.061116 28 1 0 2.906320 0.629144 -2.004381 29 1 0 0.691778 1.509915 -1.632208 30 6 0 4.989385 -1.349759 0.070018 31 6 0 5.363111 0.129157 0.121769 32 1 0 3.958271 -2.788317 -1.128433 33 1 0 4.410398 -1.364317 -2.012733 34 1 0 4.541018 -1.631855 1.019578 35 1 0 5.888406 -1.952214 -0.037794 36 6 0 6.280758 0.469083 1.294323 37 1 0 4.460788 0.731480 0.189392 38 1 0 5.850549 0.410614 -0.810365 39 1 0 7.182999 -0.135367 1.234761 40 1 0 5.793313 0.192216 2.225923 41 6 0 6.660826 1.947053 1.339668 42 1 0 5.781254 2.576072 1.433712 43 1 0 7.185850 2.246059 0.437615 44 1 0 7.308727 2.156142 2.183642 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5870778 0.1066029 0.0973809 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1738.0716382321 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.62D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.990914 0.133898 0.000579 0.012682 Ang= 15.46 deg. B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999518 -0.030693 -0.003342 -0.003378 Ang= -3.56 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) = -990.112268167 A.U. after 14 cycles NFock= 14 Conv=0.33D-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 0.000590067 -0.001051649 -0.000637839 2 6 0.001121644 -0.000743095 0.000485815 3 8 -0.005902308 0.001289719 -0.002848151 4 8 -0.004140099 0.002508814 0.001504807 5 6 0.001426010 -0.006247100 -0.005601774 6 7 0.001692393 0.003732634 -0.000255409 7 6 -0.002475602 -0.003129300 -0.000178048 8 8 0.003576073 0.003016656 -0.002094462 9 7 0.000030122 0.000406174 0.002124391 10 6 -0.001245976 -0.000124015 0.000754880 11 6 0.000530597 0.000235467 0.002633881 12 1 0.001065200 -0.000010277 0.000329833 13 1 0.000047335 0.000770998 -0.000170560 14 1 0.000601481 0.000206500 0.000825668 15 1 -0.000384927 -0.000143128 -0.000117087 16 1 -0.001260898 0.000852492 0.001665348 17 6 0.001428789 0.000268339 -0.002693495 18 1 -0.000627351 0.000053077 0.000393855 19 1 0.004266732 -0.001114649 0.002650031 20 6 0.001511837 -0.003006150 0.001533338 21 6 0.001100888 -0.002423197 0.001185898 22 6 -0.000956617 0.000671558 0.001528960 23 6 -0.004659703 0.000943877 0.001438383 24 6 0.003798744 0.003181859 -0.000091975 25 1 0.000607301 -0.000564541 -0.001481674 26 1 0.000205624 0.000444751 -0.000170867 27 6 0.000139815 0.000677906 0.001432568 28 1 -0.000398806 -0.000247302 -0.000494357 29 1 0.000006394 0.000409840 -0.000583243 30 6 0.001802350 -0.000208262 -0.001818136 31 6 -0.000250707 0.000180885 -0.000873225 32 1 0.000959659 0.000564652 0.001085046 33 1 -0.001157224 -0.000095463 -0.000864772 34 1 0.000050827 -0.000765905 0.001082933 35 1 -0.000685111 0.000629075 -0.000268696 36 6 -0.000844241 0.000014552 -0.000077927 37 1 -0.000577879 -0.000697079 0.000073402 38 1 -0.000384729 0.000250994 -0.000000947 39 1 -0.000622008 -0.000092584 0.000019501 40 1 0.000595042 -0.000021281 -0.000223122 41 6 -0.000211892 -0.000738691 -0.000178361 42 1 0.000452054 0.000256274 -0.000155745 43 1 -0.000329692 0.000377002 0.000121472 44 1 -0.000491208 -0.000520428 -0.000990135 ------------------------------------------------------------------- Cartesian Forces: Max 0.006247100 RMS 0.001665413 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005111542 RMS 0.001220152 Search for a local minimum. Step number 10 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 9 8 10 DE= -9.32D-04 DEPred=-1.53D-03 R= 6.10D-01 TightC=F SS= 1.41D+00 RLast= 7.93D-01 DXNew= 1.1042D+00 2.3788D+00 Trust test= 6.10D-01 RLast= 7.93D-01 DXMaxT set to 1.10D+00 ITU= 1 -1 1 1 1 1 0 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00007 0.00230 0.00241 0.00289 0.00300 Eigenvalues --- 0.00343 0.00848 0.01434 0.01442 0.01504 Eigenvalues --- 0.01516 0.01542 0.01760 0.01788 0.01881 Eigenvalues --- 0.01907 0.02059 0.02085 0.02108 0.02167 Eigenvalues --- 0.02286 0.02433 0.02467 0.02489 0.02578 Eigenvalues --- 0.02657 0.03419 0.03440 0.03625 0.04328 Eigenvalues --- 0.04740 0.04765 0.04928 0.05190 0.05409 Eigenvalues --- 0.05432 0.05455 0.05486 0.05587 0.05636 Eigenvalues --- 0.07219 0.08351 0.08378 0.08550 0.08672 Eigenvalues --- 0.09605 0.12224 0.12234 0.12272 0.13124 Eigenvalues --- 0.14663 0.15851 0.15993 0.15999 0.15999 Eigenvalues --- 0.16000 0.16000 0.16002 0.16005 0.16020 Eigenvalues --- 0.16102 0.16243 0.16639 0.17955 0.20358 Eigenvalues --- 0.21232 0.21901 0.21995 0.22104 0.22430 Eigenvalues --- 0.22949 0.23444 0.24020 0.24152 0.24597 Eigenvalues --- 0.24936 0.24969 0.25769 0.25909 0.26867 Eigenvalues --- 0.28232 0.28314 0.28904 0.29203 0.30366 Eigenvalues --- 0.31340 0.31732 0.32816 0.33234 0.33535 Eigenvalues --- 0.33570 0.33674 0.33692 0.33697 0.33720 Eigenvalues --- 0.33730 0.33744 0.33747 0.33762 0.33782 Eigenvalues --- 0.33791 0.33905 0.34113 0.35353 0.36090 Eigenvalues --- 0.37834 0.38179 0.38283 0.38547 0.39109 Eigenvalues --- 0.41486 0.43553 0.44275 0.47883 0.49442 Eigenvalues --- 0.50368 0.51598 0.52274 0.54930 0.56093 Eigenvalues --- 0.56667 0.58449 0.65759 0.83072 0.90155 Eigenvalues --- 1.70818 RFO step: Lambda=-6.65431745D-04 EMin= 6.96778025D-05 Quartic linear search produced a step of 0.26514. Iteration 1 RMS(Cart)= 0.28352168 RMS(Int)= 0.01441428 Iteration 2 RMS(Cart)= 0.07947892 RMS(Int)= 0.00076330 Iteration 3 RMS(Cart)= 0.00201682 RMS(Int)= 0.00007440 Iteration 4 RMS(Cart)= 0.00000126 RMS(Int)= 0.00007440 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00007440 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87033 0.00147 -0.00080 -0.00251 -0.00331 2.86702 R2 2.63845 0.00006 -0.00033 -0.00058 -0.00090 2.63755 R3 2.76135 0.00164 -0.00070 -0.00112 -0.00181 2.75954 R4 2.03438 0.00064 -0.00044 -0.00137 -0.00181 2.03257 R5 2.04469 0.00077 -0.00049 -0.00153 -0.00202 2.04267 R6 2.05068 0.00088 -0.00044 -0.00140 -0.00184 2.04883 R7 2.04759 0.00074 -0.00044 -0.00135 -0.00179 2.04580 R8 1.78183 0.00511 -0.00171 -0.00447 -0.00619 1.77564 R9 2.25822 0.00280 -0.00061 -0.00243 -0.00304 2.25518 R10 2.62041 0.00233 -0.00064 -0.00124 -0.00192 2.61849 R11 2.78112 0.00093 -0.00156 -0.00215 -0.00372 2.77740 R12 2.57355 0.00231 -0.00042 0.00047 0.00003 2.57357 R13 1.88673 -0.00004 0.00006 0.00069 0.00075 1.88748 R14 2.26035 0.00475 -0.00093 -0.00322 -0.00416 2.25619 R15 2.58614 0.00433 -0.00054 -0.00116 -0.00169 2.58445 R16 2.59615 0.00179 -0.00065 -0.00084 -0.00145 2.59471 R17 2.53451 -0.00102 -0.00016 -0.00123 -0.00137 2.53315 R18 2.01573 0.00088 0.00038 0.00172 0.00211 2.01784 R19 2.82376 -0.00128 -0.00168 -0.00529 -0.00697 2.81680 R20 2.63120 0.00297 -0.00362 -0.00847 -0.01209 2.61911 R21 2.63215 0.00123 0.00079 0.00118 0.00197 2.63412 R22 2.60777 0.00206 0.00121 0.00231 0.00352 2.61129 R23 2.02989 0.00031 0.00042 0.00163 0.00205 2.03194 R24 2.61982 0.00409 -0.00270 -0.00523 -0.00793 2.61188 R25 2.03607 -0.00047 0.00032 0.00110 0.00143 2.03750 R26 2.62019 0.00149 0.00181 0.00348 0.00529 2.62547 R27 2.86000 0.00092 -0.00023 -0.00066 -0.00090 2.85910 R28 2.60914 0.00439 -0.00342 -0.00768 -0.01110 2.59804 R29 2.03325 0.00034 -0.00015 0.00032 0.00017 2.03342 R30 2.01959 0.00068 0.00040 0.00126 0.00166 2.02125 R31 2.90117 0.00341 -0.00017 0.00041 0.00024 2.90141 R32 2.05073 0.00091 -0.00095 -0.00275 -0.00370 2.04702 R33 2.05224 0.00061 -0.00005 -0.00043 -0.00048 2.05176 R34 2.88426 0.00255 -0.00106 -0.00187 -0.00293 2.88133 R35 2.05475 0.00049 -0.00015 -0.00060 -0.00075 2.05399 R36 2.05521 0.00015 -0.00030 -0.00136 -0.00166 2.05356 R37 2.88609 0.00189 -0.00101 -0.00165 -0.00265 2.88344 R38 2.05412 -0.00078 -0.00017 -0.00105 -0.00122 2.05290 R39 2.05771 0.00045 -0.00013 -0.00059 -0.00071 2.05700 R40 2.05533 0.00053 -0.00022 -0.00088 -0.00110 2.05423 R41 2.05463 0.00045 -0.00036 -0.00132 -0.00168 2.05294 R42 2.88510 0.00107 -0.00062 -0.00142 -0.00204 2.88307 R43 2.05116 0.00053 -0.00033 -0.00104 -0.00137 2.04979 R44 2.05168 0.00050 -0.00028 -0.00096 -0.00124 2.05044 R45 2.04910 0.00110 -0.00056 -0.00152 -0.00208 2.04702 A1 1.95611 -0.00009 0.00045 0.00132 0.00177 1.95788 A2 1.94454 0.00167 -0.00041 -0.00007 -0.00049 1.94405 A3 1.92802 -0.00084 0.00057 0.00146 0.00203 1.93005 A4 1.85609 -0.00180 0.00092 0.00132 0.00224 1.85833 A5 1.93256 0.00060 -0.00080 -0.00274 -0.00354 1.92903 A6 1.84213 0.00050 -0.00081 -0.00151 -0.00232 1.83981 A7 1.92389 0.00006 0.00001 0.00020 0.00021 1.92410 A8 1.91865 0.00084 -0.00097 -0.00253 -0.00350 1.91515 A9 1.93284 -0.00022 0.00024 0.00097 0.00121 1.93406 A10 1.88602 -0.00033 -0.00002 -0.00001 -0.00004 1.88599 A11 1.90908 -0.00009 0.00056 0.00096 0.00152 1.91060 A12 1.89245 -0.00027 0.00018 0.00040 0.00058 1.89303 A13 1.91678 -0.00104 0.00119 0.00307 0.00427 1.92105 A14 2.06031 0.00324 0.00025 0.00150 0.00147 2.06178 A15 2.22779 -0.00271 0.00004 0.00062 0.00039 2.22819 A16 1.99397 -0.00043 -0.00058 -0.00327 -0.00411 1.98986 A17 2.25418 -0.00085 0.00016 0.00236 0.00249 2.25667 A18 2.01583 0.00006 0.00044 0.00080 0.00120 2.01702 A19 2.01262 0.00079 -0.00070 -0.00344 -0.00419 2.00843 A20 2.14726 -0.00211 0.00093 0.00185 0.00266 2.14992 A21 1.98301 0.00037 -0.00014 -0.00192 -0.00207 1.98094 A22 2.15290 0.00175 -0.00078 -0.00002 -0.00091 2.15199 A23 2.04980 0.00282 -0.00187 -0.00436 -0.00680 2.04301 A24 2.10914 -0.00198 0.00055 0.00065 0.00059 2.10973 A25 2.11814 -0.00081 0.00004 0.00026 -0.00012 2.11802 A26 2.18985 -0.00031 -0.00081 -0.00148 -0.00216 2.18769 A27 1.96388 0.00132 0.00008 -0.00171 -0.00170 1.96218 A28 2.12915 -0.00099 0.00070 0.00317 0.00380 2.13295 A29 2.02565 0.00206 0.00101 0.00297 0.00403 2.02968 A30 2.13017 -0.00222 -0.00058 -0.00087 -0.00151 2.12866 A31 2.12711 0.00017 -0.00048 -0.00222 -0.00276 2.12435 A32 2.10927 0.00060 -0.00075 -0.00437 -0.00512 2.10415 A33 2.13345 -0.00170 -0.00040 0.00151 0.00110 2.13456 A34 2.04045 0.00110 0.00115 0.00283 0.00398 2.04443 A35 2.12317 -0.00080 -0.00067 -0.00185 -0.00252 2.12065 A36 2.11131 -0.00042 -0.00083 -0.00361 -0.00446 2.10685 A37 2.04868 0.00121 0.00149 0.00541 0.00688 2.05556 A38 2.11951 0.00000 0.00008 0.00044 0.00049 2.12000 A39 2.07532 -0.00017 0.00063 0.00251 0.00310 2.07842 A40 2.08834 0.00017 -0.00071 -0.00302 -0.00376 2.08457 A41 2.04138 0.00052 0.00003 -0.00028 -0.00025 2.04113 A42 2.10347 0.00118 -0.00242 -0.00635 -0.00878 2.09469 A43 2.13833 -0.00170 0.00239 0.00661 0.00899 2.14733 A44 2.12938 -0.00068 -0.00015 -0.00036 -0.00053 2.12884 A45 2.08662 0.00022 -0.00003 0.00117 0.00112 2.08774 A46 2.06711 0.00046 0.00016 -0.00089 -0.00074 2.06637 A47 2.11241 -0.00015 -0.00046 -0.00089 -0.00135 2.11105 A48 2.09290 0.00009 -0.00040 0.00054 0.00014 2.09304 A49 2.07787 0.00006 0.00086 0.00034 0.00120 2.07907 A50 1.98834 0.00287 -0.00145 -0.00314 -0.00467 1.98367 A51 1.90160 -0.00167 -0.00113 -0.00365 -0.00489 1.89671 A52 1.91034 -0.00025 0.00170 0.00361 0.00529 1.91562 A53 1.88643 0.00003 -0.00297 -0.00544 -0.00846 1.87796 A54 1.91874 -0.00166 0.00405 0.00830 0.01236 1.93110 A55 1.85333 0.00054 -0.00019 0.00030 0.00017 1.85350 A56 1.98856 0.00407 0.00084 0.00407 0.00489 1.99344 A57 1.89791 -0.00117 -0.00260 -0.00535 -0.00795 1.88996 A58 1.89970 -0.00153 0.00160 0.00050 0.00208 1.90178 A59 1.89943 -0.00026 -0.00189 -0.00181 -0.00370 1.89572 A60 1.91527 -0.00190 0.00106 -0.00001 0.00102 1.91629 A61 1.85847 0.00058 0.00101 0.00247 0.00350 1.86198 A62 1.97015 0.00073 -0.00052 -0.00110 -0.00162 1.96852 A63 1.91322 -0.00005 0.00004 0.00015 0.00019 1.91341 A64 1.90821 -0.00019 0.00047 0.00081 0.00127 1.90948 A65 1.90464 -0.00028 -0.00090 -0.00177 -0.00267 1.90196 A66 1.90787 -0.00047 0.00015 -0.00063 -0.00048 1.90739 A67 1.85628 0.00021 0.00084 0.00278 0.00362 1.85990 A68 1.90995 -0.00013 -0.00004 0.00031 0.00027 1.91023 A69 1.90899 -0.00046 0.00017 -0.00020 -0.00003 1.90896 A70 1.96909 0.00105 -0.00060 -0.00126 -0.00187 1.96722 A71 1.85179 0.00034 -0.00009 0.00074 0.00065 1.85244 A72 1.91040 -0.00051 0.00028 0.00022 0.00050 1.91090 A73 1.90993 -0.00033 0.00032 0.00031 0.00062 1.91056 A74 1.94105 -0.00028 0.00029 0.00091 0.00120 1.94224 A75 1.94155 -0.00025 0.00034 0.00107 0.00142 1.94296 A76 1.93749 0.00085 -0.00087 -0.00131 -0.00218 1.93531 A77 1.87995 0.00010 0.00022 -0.00005 0.00017 1.88012 A78 1.88074 -0.00020 -0.00001 -0.00036 -0.00037 1.88037 A79 1.88034 -0.00023 0.00004 -0.00030 -0.00026 1.88008 D1 -3.13089 0.00056 -0.00085 -0.00064 -0.00149 -3.13238 D2 1.07501 0.00041 -0.00023 0.00083 0.00060 1.07562 D3 -1.01583 0.00035 0.00002 0.00135 0.00137 -1.01446 D4 -1.05341 -0.00065 0.00034 0.00188 0.00222 -1.05119 D5 -3.13069 -0.00081 0.00097 0.00335 0.00432 -3.12637 D6 1.06165 -0.00087 0.00122 0.00386 0.00508 1.06673 D7 0.98826 0.00047 -0.00057 0.00089 0.00032 0.98858 D8 -1.08902 0.00031 0.00006 0.00235 0.00241 -1.08661 D9 3.10333 0.00025 0.00031 0.00287 0.00318 3.10650 D10 -1.08014 0.00053 0.00107 0.00320 0.00427 -1.07587 D11 3.07419 -0.00029 0.00070 0.00162 0.00232 3.07651 D12 1.08135 -0.00018 0.00154 0.00403 0.00557 1.08692 D13 1.58000 0.00016 -0.01141 -0.02383 -0.03519 1.54481 D14 -1.44466 -0.00008 0.00547 0.00900 0.01442 -1.43024 D15 -2.56700 -0.00013 -0.01050 -0.02139 -0.03184 -2.59884 D16 0.69152 -0.00036 0.00638 0.01144 0.01777 0.70929 D17 -0.51321 -0.00005 -0.01137 -0.02462 -0.03594 -0.54915 D18 2.74532 -0.00028 0.00552 0.00820 0.01367 2.75898 D19 -3.12867 -0.00110 0.00397 0.00762 0.01160 -3.11707 D20 0.05085 -0.00137 0.00873 0.01735 0.02609 0.07694 D21 -0.03379 0.00102 -0.00632 -0.01656 -0.02286 -0.05665 D22 -3.13746 0.00075 -0.00156 -0.00683 -0.00837 3.13736 D23 3.08896 0.00203 -0.00991 -0.01988 -0.02977 3.05919 D24 -0.02859 0.00162 -0.00632 -0.01415 -0.02046 -0.04905 D25 -0.00056 -0.00054 0.00156 0.00706 0.00861 0.00805 D26 -3.11811 -0.00095 0.00515 0.01279 0.01792 -3.10019 D27 -3.08537 0.00003 0.00514 0.00499 0.01008 -3.07528 D28 0.06179 -0.00090 0.00925 0.02233 0.03159 0.09337 D29 0.01836 0.00028 0.00041 -0.00465 -0.00425 0.01411 D30 -3.11768 -0.00065 0.00451 0.01269 0.01725 -3.10042 D31 -3.08039 0.00015 0.00938 0.01396 0.02325 -3.05714 D32 -0.05637 0.00031 -0.00758 -0.01901 -0.02657 -0.08294 D33 0.06678 -0.00077 0.01351 0.03136 0.04476 0.11155 D34 3.09080 -0.00061 -0.00345 -0.00162 -0.00505 3.08575 D35 3.05047 0.00050 -0.01339 -0.02093 -0.03445 3.01602 D36 -0.11733 0.00124 -0.01501 -0.02159 -0.03672 -0.15406 D37 0.03043 0.00001 0.00422 0.01350 0.01775 0.04818 D38 -3.13738 0.00076 0.00260 0.01284 0.01548 -3.12190 D39 0.00064 0.00010 -0.00090 -0.00667 -0.00761 -0.00697 D40 3.11824 0.00047 -0.00448 -0.01237 -0.01688 3.10136 D41 -3.11240 -0.00075 0.00087 -0.00587 -0.00504 -3.11744 D42 0.00519 -0.00038 -0.00270 -0.01157 -0.01431 -0.00911 D43 2.79553 -0.00184 -0.06888 -0.18382 -0.25268 2.54285 D44 -0.35166 -0.00213 -0.06928 -0.18864 -0.25788 -0.60953 D45 -0.32063 -0.00230 -0.06510 -0.17782 -0.24296 -0.56359 D46 2.81537 -0.00259 -0.06550 -0.18265 -0.24816 2.56721 D47 3.13027 -0.00048 -0.00205 -0.01096 -0.01300 3.11726 D48 -0.01840 -0.00091 -0.00374 -0.01937 -0.02307 -0.04147 D49 -0.00602 -0.00020 -0.00168 -0.00638 -0.00806 -0.01408 D50 3.12850 -0.00063 -0.00336 -0.01479 -0.01813 3.11037 D51 -3.12812 0.00033 0.00249 0.01063 0.01316 -3.11497 D52 0.00871 0.00043 0.00181 0.00838 0.01022 0.01893 D53 0.00809 0.00006 0.00211 0.00597 0.00810 0.01618 D54 -3.13827 0.00015 0.00143 0.00372 0.00517 -3.13310 D55 0.00743 0.00018 0.00194 0.00636 0.00830 0.01573 D56 -3.14144 0.00001 -0.00141 -0.00427 -0.00571 3.13604 D57 -3.12733 0.00061 0.00356 0.01452 0.01813 -3.10921 D58 0.00698 0.00043 0.00022 0.00388 0.00412 0.01110 D59 -0.01020 -0.00003 -0.00245 -0.00540 -0.00784 -0.01804 D60 3.12725 -0.00016 -0.00276 -0.01013 -0.01285 3.11441 D61 3.13872 0.00015 0.00092 0.00529 0.00619 -3.13827 D62 -0.00701 0.00002 0.00061 0.00056 0.00118 -0.00583 D63 0.01239 -0.00012 0.00292 0.00504 0.00796 0.02035 D64 -3.11534 -0.00032 0.00636 0.01108 0.01746 -3.09788 D65 -3.12497 0.00001 0.00324 0.00991 0.01318 -3.11179 D66 0.03049 -0.00019 0.00669 0.01595 0.02267 0.05316 D67 -1.50557 0.00029 -0.05699 -0.09418 -0.15118 -1.65675 D68 0.60206 0.00103 -0.06262 -0.10586 -0.16846 0.43360 D69 2.62171 0.00060 -0.06253 -0.10555 -0.16809 2.45362 D70 1.63165 0.00016 -0.05732 -0.09920 -0.15653 1.47512 D71 -2.54391 0.00089 -0.06295 -0.11088 -0.17381 -2.71772 D72 -0.52427 0.00046 -0.06287 -0.11057 -0.17344 -0.69771 D73 -0.01176 0.00011 -0.00285 -0.00554 -0.00837 -0.02012 D74 3.13456 0.00001 -0.00217 -0.00331 -0.00545 3.12910 D75 3.11612 0.00030 -0.00626 -0.01150 -0.01774 3.09838 D76 -0.02075 0.00021 -0.00558 -0.00927 -0.01482 -0.03558 D77 -1.20639 -0.00095 -0.01064 0.00804 -0.00258 -1.20897 D78 0.91536 0.00060 -0.01442 0.00454 -0.00986 0.90550 D79 2.93329 -0.00016 -0.01376 0.00486 -0.00889 2.92440 D80 2.96071 -0.00071 -0.00606 0.01864 0.01255 2.97326 D81 -1.20072 0.00085 -0.00984 0.01514 0.00527 -1.19545 D82 0.81721 0.00008 -0.00917 0.01546 0.00624 0.82345 D83 0.94496 -0.00048 -0.00638 0.01688 0.01053 0.95549 D84 3.06671 0.00108 -0.01016 0.01338 0.00325 3.06996 D85 -1.19854 0.00031 -0.00949 0.01369 0.00422 -1.19432 D86 3.09436 0.00086 -0.01200 -0.00795 -0.01995 3.07441 D87 0.96730 0.00075 -0.01052 -0.00503 -0.01556 0.95174 D88 -1.06122 0.00063 -0.01182 -0.00893 -0.02075 -1.08197 D89 0.97345 -0.00019 -0.00782 -0.00250 -0.01032 0.96313 D90 -1.15361 -0.00030 -0.00634 0.00042 -0.00593 -1.15954 D91 3.10106 -0.00042 -0.00765 -0.00347 -0.01112 3.08994 D92 -1.05386 0.00031 -0.00856 -0.00443 -0.01299 -1.06684 D93 3.10227 0.00020 -0.00708 -0.00152 -0.00859 3.09367 D94 1.07375 0.00008 -0.00838 -0.00541 -0.01379 1.05997 D95 1.00388 -0.00007 -0.00090 -0.00162 -0.00252 1.00136 D96 -1.01784 -0.00016 -0.00086 -0.00258 -0.00344 -1.02127 D97 3.13526 -0.00011 -0.00097 -0.00198 -0.00295 3.13231 D98 3.13577 0.00016 -0.00184 -0.00344 -0.00528 3.13049 D99 1.11405 0.00008 -0.00180 -0.00440 -0.00620 1.10786 D100 -1.01603 0.00012 -0.00192 -0.00380 -0.00571 -1.02175 D101 -1.12392 -0.00000 -0.00125 -0.00146 -0.00271 -1.12663 D102 3.13755 -0.00008 -0.00121 -0.00242 -0.00363 3.13392 D103 1.00746 -0.00004 -0.00133 -0.00181 -0.00314 1.00432 D104 1.04438 -0.00022 0.00007 0.00011 0.00018 1.04456 D105 -1.05122 0.00002 -0.00064 -0.00116 -0.00180 -1.05302 D106 3.13826 -0.00009 -0.00033 -0.00062 -0.00095 3.13730 D107 -3.10768 -0.00004 -0.00019 -0.00019 -0.00038 -3.10806 D108 1.07990 0.00020 -0.00089 -0.00146 -0.00236 1.07754 D109 -1.01380 0.00009 -0.00059 -0.00092 -0.00151 -1.01531 D110 -1.08518 -0.00010 0.00004 0.00100 0.00104 -1.08414 D111 3.10240 0.00013 -0.00067 -0.00027 -0.00095 3.10146 D112 1.00870 0.00002 -0.00037 0.00027 -0.00010 1.00860 Item Value Threshold Converged? Maximum Force 0.005112 0.000450 NO RMS Force 0.001220 0.000300 NO Maximum Displacement 1.382910 0.001800 NO RMS Displacement 0.354478 0.001200 NO Predicted change in Energy=-8.295520D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.018935 -4.508054 2.507762 2 6 0 7.056368 -3.268181 3.381314 3 8 0 6.841375 -5.673653 3.254696 4 8 0 2.923627 -3.923608 -1.013529 5 6 0 3.738152 -4.071431 -0.153948 6 7 0 5.055667 -3.751896 -0.440418 7 6 0 6.159748 -3.855081 0.350194 8 8 0 7.242874 -3.484080 0.011596 9 7 0 5.913955 -4.454683 1.554556 10 6 0 4.641349 -4.807446 1.930494 11 6 0 3.542252 -4.664240 1.176589 12 1 0 7.909917 -4.575863 1.909062 13 1 0 7.185456 -2.384932 2.771704 14 1 0 7.894030 -3.328687 4.066983 15 1 0 5.215897 -3.350688 -1.340964 16 1 0 4.611008 -5.246803 2.903237 17 6 0 2.204088 -5.122206 1.647150 18 1 0 6.145738 -3.177490 3.959700 19 1 0 7.559905 -5.788181 3.849256 20 6 0 2.088407 -6.229410 2.472766 21 6 0 0.860559 -6.654030 2.943467 22 6 0 -0.309018 -6.004180 2.596883 23 6 0 -0.190925 -4.892334 1.772191 24 6 0 1.026120 -4.464288 1.297092 25 1 0 2.956905 -6.796874 2.755380 26 1 0 0.815202 -7.523540 3.579396 27 6 0 -1.639009 -6.518279 3.102759 28 1 0 -1.069650 -4.330029 1.508532 29 1 0 1.062980 -3.609206 0.655591 30 6 0 -2.353736 -7.452896 2.116360 31 6 0 -2.871787 -6.759399 0.861173 32 1 0 -1.470907 -7.073972 4.017283 33 1 0 -2.278231 -5.682183 3.369545 34 1 0 -1.657089 -8.232630 1.819532 35 1 0 -3.174622 -7.946726 2.629377 36 6 0 -3.492378 -7.731622 -0.137763 37 1 0 -2.058571 -6.226362 0.376716 38 1 0 -3.610732 -6.010560 1.140575 39 1 0 -4.300318 -8.277584 0.342691 40 1 0 -2.753667 -8.475139 -0.423575 41 6 0 -4.021790 -7.034408 -1.387256 42 1 0 -3.230431 -6.507061 -1.909023 43 1 0 -4.792498 -6.311992 -1.139366 44 1 0 -4.451154 -7.751091 -2.076759 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.517162 0.000000 3 O 1.395729 2.418378 0.000000 4 O 5.432552 6.068260 6.052202 0.000000 5 C 4.247220 4.914657 4.880160 1.193391 0.000000 6 N 3.621873 4.340786 4.531641 2.214393 1.385646 7 C 2.412400 3.214976 3.493988 3.512395 2.482961 8 O 2.707308 3.381775 3.933590 4.460937 3.557452 9 N 1.460285 2.459663 2.288334 3.977331 2.792845 10 C 2.464912 3.210379 2.709970 3.521222 2.387965 11 C 3.726089 4.377077 4.027611 2.393293 1.469737 12 H 1.075587 2.146184 2.039034 5.816361 4.681248 13 H 2.145936 1.080934 3.341760 5.904126 4.825726 14 H 2.141931 1.084195 2.695693 7.132351 5.969862 15 H 4.404899 5.068930 5.399855 2.385363 2.027859 16 H 2.549562 3.181712 2.297882 4.465328 3.389654 17 C 4.929562 5.476253 4.938899 3.005592 2.588712 18 H 2.154298 1.082590 2.685475 5.972579 4.849505 19 H 1.931574 2.612071 0.939630 6.972689 5.794710 20 C 5.222490 5.854483 4.848812 4.262460 3.778645 21 C 6.536103 7.074159 6.068620 5.231564 4.954224 22 C 7.479655 7.896198 7.188191 5.273883 5.261385 23 C 7.257467 7.599369 7.229213 4.289417 4.452138 24 C 6.114038 6.491421 6.253956 3.038393 3.100801 25 H 4.669057 5.445095 4.074315 4.739350 4.062336 26 H 6.980534 7.556419 6.312073 6.204831 5.865027 27 C 8.908144 9.287105 8.523695 6.670366 6.745892 28 H 8.152016 8.406367 8.212108 4.740488 5.093689 29 H 6.301736 6.592919 6.663868 2.519289 2.832940 30 C 9.832205 10.376030 9.434594 7.078321 7.328007 31 C 10.276487 10.821644 10.062470 6.718857 7.207421 32 H 8.996666 9.359643 8.463832 7.385512 7.317698 33 H 9.410555 9.641695 9.120333 7.025898 7.155864 34 H 9.466759 10.149347 8.990659 6.897598 7.093576 35 H 10.758618 11.275076 10.289707 8.163631 8.399478 36 C 11.308311 11.982581 11.069347 7.512193 8.104185 37 H 9.481300 10.042936 9.370021 5.661956 6.207038 38 H 10.822040 11.239599 10.669093 7.189810 7.709870 39 H 12.125279 12.778954 11.806674 8.542940 9.085998 40 H 10.946883 11.739948 10.650954 7.300421 7.849143 41 C 11.977113 12.635241 11.891498 7.619420 8.397439 42 H 11.338145 12.012337 11.349001 6.734135 7.587736 43 H 12.492626 13.042123 12.452400 8.078292 8.874861 44 H 12.770986 13.502226 12.659438 8.376603 9.181603 6 7 8 9 10 6 N 0.000000 7 C 1.361877 0.000000 8 O 2.249426 1.193923 0.000000 9 N 2.282649 1.367635 2.255842 0.000000 10 C 2.628130 2.389536 3.493050 1.373061 0.000000 11 C 2.395310 2.861635 4.055193 2.410757 1.340483 12 H 3.787574 2.452078 2.288518 2.030819 3.276831 13 H 4.089294 3.012827 2.971468 2.716990 3.612297 14 H 5.343414 4.135135 4.110270 3.391291 4.163081 15 H 0.998812 2.001320 2.440460 3.176496 3.626939 16 H 3.689512 3.294468 4.288998 2.035698 1.067795 17 C 3.790408 4.351430 5.545075 3.770579 2.473782 18 H 4.569380 3.672582 4.109164 2.733069 3.006264 19 H 5.368330 4.235652 4.487430 3.122982 3.627873 20 C 4.840387 5.169001 6.337407 4.315968 2.972130 21 C 6.121437 6.529976 7.705738 5.683573 4.327859 22 C 6.563370 7.177129 8.370525 6.497136 5.136379 23 C 5.807148 6.590070 7.768156 6.124415 4.835612 24 C 4.445637 5.255652 6.423498 4.894620 3.686304 25 H 4.887721 4.969635 6.072272 3.958785 2.734157 26 H 6.954549 7.242204 8.388171 6.286107 4.973475 27 C 8.063849 8.688489 9.881776 7.981392 6.613929 28 H 6.453848 7.336996 8.488492 6.984869 5.746433 29 H 4.142843 5.111826 6.214618 5.005490 3.983201 30 C 8.667973 9.409730 10.596058 8.812469 7.480920 31 C 8.578096 9.500778 10.665639 9.109432 7.835865 32 H 8.573415 9.057356 10.240255 8.213518 6.844816 33 H 8.486925 9.146271 10.332421 8.480144 7.121561 34 H 8.381256 9.078812 10.248254 8.465447 7.170392 35 H 9.734366 10.443500 11.631517 9.795500 8.451799 36 C 9.433922 10.412934 11.545975 10.103532 8.887407 37 H 7.576481 8.553622 9.704138 8.251504 7.022569 38 H 9.094370 10.036587 11.200824 9.659803 8.376652 39 H 10.422551 11.356565 12.503303 10.973357 9.721954 40 H 9.126609 10.069390 11.181720 9.757291 8.583698 41 C 9.699052 10.806969 11.893455 10.678402 9.540273 42 H 8.854782 10.015614 11.068754 9.991418 8.921631 43 H 10.199460 11.322849 12.416601 11.195309 10.034200 44 H 10.442740 11.561152 12.622159 11.466832 10.363240 11 12 13 14 15 11 C 0.000000 12 H 4.429540 0.000000 13 H 4.583948 2.463569 0.000000 14 H 5.392221 2.492454 1.752284 0.000000 15 H 3.296147 4.395619 4.661104 6.034797 0.000000 16 H 2.112565 3.510178 3.851674 3.976394 4.687685 17 C 1.490584 5.737906 5.794076 6.437991 4.597618 18 H 4.090754 3.045142 1.766493 1.758094 5.384389 19 H 4.954587 2.314428 3.589350 2.491617 6.194686 20 C 2.498699 6.077990 6.391345 6.682887 5.710760 21 C 3.777909 7.421739 7.632760 7.860655 6.945314 22 C 4.317980 8.370429 8.324462 8.752683 7.285077 23 C 3.787265 8.108177 7.854750 8.548541 6.426674 24 C 2.526939 6.911846 6.666005 7.492000 5.074808 25 H 2.717230 5.493766 6.111149 6.174449 5.810274 26 H 4.624487 7.862175 8.224220 8.242835 7.809530 27 C 5.830356 9.817325 9.750146 10.098616 8.761852 28 H 4.635895 8.991856 8.574718 9.375282 6.970426 29 H 2.744326 7.027529 6.592534 7.640650 4.615169 30 C 6.589570 10.661278 10.821734 11.217430 9.277960 31 C 6.754929 11.050386 11.132575 11.745203 9.048721 32 H 6.245647 9.934032 9.923265 10.086211 9.342751 33 H 6.302641 10.351585 10.039455 10.464237 9.153509 34 H 6.338764 10.242439 10.643910 10.969210 9.003335 35 H 7.615884 11.608125 11.759465 12.079240 10.357991 36 C 7.786036 12.006691 12.290982 12.911855 9.822134 37 H 5.869347 10.219735 10.292939 11.003129 8.008609 38 H 7.278671 11.635045 11.504931 12.170285 9.546850 39 H 8.675111 12.854808 13.135694 13.677136 10.847458 40 H 7.531405 11.591271 12.086629 12.650080 9.519220 41 C 8.331010 12.620451 12.826416 13.618658 9.945190 42 H 7.667218 11.933761 12.140505 13.021841 9.034702 43 H 8.806066 13.177952 13.198093 14.034036 10.439250 44 H 9.165559 13.370300 13.700875 14.481256 10.646916 16 17 18 19 20 16 H 0.000000 17 C 2.717819 0.000000 18 H 2.784523 4.966529 0.000000 19 H 3.143889 5.829028 2.971157 0.000000 20 C 2.741229 1.385975 5.290286 5.659214 0.000000 21 C 4.005967 2.414952 6.407197 6.815525 1.381836 22 C 4.987397 2.827645 7.177139 7.970888 2.411179 23 C 4.946056 2.409267 6.919479 8.074163 2.733849 24 C 4.005428 1.393917 5.912344 7.138388 2.371987 25 H 2.271703 2.144626 4.971819 4.837523 1.075256 26 H 4.477596 3.380678 6.888207 6.969600 2.126136 27 C 6.381157 4.340186 8.514547 9.257987 3.791301 28 H 5.920773 3.371071 7.707035 9.059493 3.809294 29 H 4.508009 2.138806 6.077660 7.560256 3.349493 30 C 7.348039 5.140626 9.691133 10.200710 4.621318 31 C 7.902543 5.390980 10.185612 10.894590 5.242293 32 H 6.447428 4.788790 8.555651 9.123435 3.970835 33 H 6.918715 4.834398 8.808236 9.850395 4.491236 34 H 7.026992 4.961164 9.540381 9.749261 4.297481 35 H 8.245035 6.154121 10.553884 11.017145 5.538336 36 C 9.004824 6.514959 11.420271 11.909082 6.341661 37 H 7.199036 4.582950 9.457488 10.235508 4.646597 38 H 8.443181 5.904060 10.543361 11.496501 5.856861 39 H 9.754679 7.346110 12.174309 12.615785 7.039037 40 H 8.702199 6.333198 11.246226 11.482447 6.072707 41 C 9.804543 7.185103 12.117936 12.771445 7.272022 42 H 9.286240 6.640647 11.551645 12.251772 6.896898 43 H 10.290928 7.624466 12.468785 13.332014 7.771819 44 H 10.639295 8.066647 13.025006 13.536477 8.110459 21 22 23 24 25 21 C 0.000000 22 C 1.382150 0.000000 23 C 2.362431 1.389339 0.000000 24 C 2.744619 2.417296 1.374825 0.000000 25 H 2.109608 3.364483 3.808250 3.360877 0.000000 26 H 1.078198 2.130178 3.346868 3.822620 2.407060 27 C 2.508315 1.512972 2.551677 3.818669 4.617436 28 H 3.344507 2.136785 1.076039 2.110684 4.883964 29 H 3.813962 3.374447 2.113171 1.069602 4.261139 30 C 3.413794 2.551578 3.369374 4.585456 5.389028 31 C 4.275214 3.186036 3.391593 4.544364 6.128872 32 H 2.600994 2.124141 3.382061 4.521619 4.612451 33 H 3.313312 2.139740 2.744494 4.086205 5.387615 34 H 3.177068 2.718006 3.648212 4.655423 4.922007 35 H 4.248811 3.462112 4.355057 5.616813 6.239684 36 C 5.440886 4.538295 4.754899 5.757699 7.130027 37 H 3.910554 2.835391 2.686090 3.669784 5.580191 38 H 4.863838 3.608627 3.653005 4.890384 6.808800 39 H 6.002884 5.116661 5.512758 6.619899 7.789792 40 H 5.264603 4.604901 4.921943 5.773596 6.747812 41 C 6.537368 5.542509 5.407967 6.268384 8.119117 42 H 6.348579 5.393582 5.039571 5.707042 7.753953 43 H 6.981660 5.844305 5.627350 6.573177 8.686623 44 H 7.390569 6.484745 6.413771 7.224021 8.896036 26 27 28 29 30 26 H 0.000000 27 C 2.694603 0.000000 28 H 4.247312 2.766617 0.000000 29 H 4.892039 4.663913 2.407323 0.000000 30 C 3.491079 1.535359 3.430835 5.346190 0.000000 31 C 4.643978 2.569550 3.093317 5.044637 1.524732 32 H 2.370686 1.083239 3.739527 5.452170 2.129902 33 H 3.606101 1.085742 2.598530 4.777706 2.170622 34 H 3.116433 2.141494 3.958800 5.489042 1.086926 35 H 4.123144 2.150036 4.332170 6.377082 1.086696 36 C 5.693489 3.925323 4.488956 6.194756 2.540721 37 H 4.494263 2.773546 2.419721 4.083057 2.148923 38 H 5.275021 2.827656 3.068660 5.276864 2.147680 39 H 6.100278 4.218495 5.232551 7.117347 2.759564 40 H 5.446664 4.184112 4.873488 6.277635 2.766983 41 C 6.950063 5.109234 4.941092 6.462207 3.902930 42 H 6.893701 5.258394 4.592181 5.779981 4.226926 43 H 7.428383 5.289865 4.979873 6.694292 4.224805 44 H 7.731648 6.021245 5.999379 7.417993 4.697907 31 32 33 34 35 31 C 0.000000 32 H 3.467340 0.000000 33 H 2.793677 1.734478 0.000000 34 H 2.136434 2.491438 3.048465 0.000000 35 H 2.151278 2.364451 2.545490 1.743701 0.000000 36 C 1.525852 4.667254 4.239759 2.729523 2.793618 37 H 1.086346 3.783850 3.049821 2.503601 3.046261 38 H 1.088516 3.739672 2.617575 3.035671 2.481021 39 H 2.148118 4.791334 4.470659 3.028158 2.570135 40 H 2.146694 4.830111 4.734385 2.508550 3.126810 41 C 2.540388 5.976422 5.243631 4.160653 4.205159 42 H 2.804690 6.207931 5.426821 4.399444 4.761598 43 H 2.809175 6.180988 5.200815 4.719610 4.415122 44 H 3.479842 6.817456 6.218054 4.818689 4.880115 36 37 38 39 40 36 C 0.000000 37 H 2.141564 0.000000 38 H 2.147140 1.743346 0.000000 39 H 1.087051 3.038766 2.500310 0.000000 40 H 1.086371 2.486086 3.042249 1.737332 0.000000 41 C 1.525653 2.760211 2.758109 2.148437 2.147679 42 H 2.169222 2.583921 3.113067 3.057715 2.511412 43 H 2.169994 3.127331 2.585646 2.510436 3.057515 44 H 2.163177 3.750839 3.753265 2.480662 2.477645 41 42 43 44 41 C 0.000000 42 H 1.084704 0.000000 43 H 1.085047 1.752278 0.000000 44 H 1.083237 1.750974 1.751065 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.828325 -0.934604 0.386455 2 6 0 -5.299372 -1.359014 -0.991867 3 8 0 -4.376909 -2.015736 1.145030 4 8 0 -0.814933 2.666168 -0.276676 5 6 0 -1.616771 1.789181 -0.166536 6 7 0 -2.942266 2.137686 0.037485 7 6 0 -4.027402 1.334670 0.217359 8 8 0 -5.140594 1.753819 0.320179 9 7 0 -3.714514 0.006020 0.302293 10 6 0 -2.429262 -0.438764 0.113639 11 6 0 -1.363615 0.342429 -0.112256 12 1 0 -5.608410 -0.408101 0.907177 13 1 0 -5.632706 -0.498422 -1.554617 14 1 0 -6.134841 -2.043658 -0.898412 15 1 0 -3.139925 3.116335 0.009181 16 1 0 -2.349927 -1.500643 0.193041 17 6 0 0.007348 -0.224682 -0.256090 18 1 0 -4.505660 -1.858489 -1.532743 19 1 0 -5.075659 -2.629395 1.279477 20 6 0 0.376288 -1.362494 0.444048 21 6 0 1.632374 -1.921101 0.303774 22 6 0 2.583148 -1.359260 -0.527310 23 6 0 2.210472 -0.220864 -1.231178 24 6 0 0.964021 0.343228 -1.095887 25 1 0 -0.306808 -1.831136 1.129563 26 1 0 1.879796 -2.803782 0.871372 27 6 0 3.959977 -1.978148 -0.629315 28 1 0 2.903288 0.228381 -1.921138 29 1 0 0.729387 1.226664 -1.651347 30 6 0 4.995396 -1.334529 0.303952 31 6 0 5.386445 0.087794 -0.081905 32 1 0 3.889256 -3.026662 -0.366588 33 1 0 4.301225 -1.946407 -1.659548 34 1 0 4.585318 -1.320706 1.310457 35 1 0 5.880846 -1.963680 0.336452 36 6 0 6.344291 0.729198 0.917772 37 1 0 4.494456 0.702813 -0.160981 38 1 0 5.847304 0.081261 -1.068025 39 1 0 7.235383 0.113665 1.011334 40 1 0 5.882610 0.743525 1.901055 41 6 0 6.744606 2.147568 0.523322 42 1 0 5.878126 2.796456 0.454458 43 1 0 7.246037 2.162888 -0.438789 44 1 0 7.420125 2.575503 1.254040 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6191167 0.1071769 0.0958159 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1739.8448898773 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.67D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999596 0.027691 0.001035 0.006303 Ang= 3.26 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.112231898 A.U. after 16 cycles NFock= 16 Conv=0.41D-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 0.001128746 -0.002501557 -0.000550956 2 6 0.001774707 -0.000804118 0.001162172 3 8 -0.009768746 0.000120379 -0.005635561 4 8 -0.008787616 0.004437060 0.001898626 5 6 0.003889278 -0.012335709 -0.005853810 6 7 0.003327348 0.007435298 -0.002143849 7 6 -0.005648785 -0.007934789 -0.000453097 8 8 0.006692646 0.005577210 -0.003775696 9 7 0.000551231 0.002757713 0.003711006 10 6 -0.001954769 -0.001205352 0.001921293 11 6 0.001010531 0.002418733 0.003494444 12 1 0.001778532 0.000525786 0.000232065 13 1 0.000069636 0.001380441 -0.000674157 14 1 0.000996713 0.000751149 0.001445183 15 1 -0.000754734 -0.000402239 0.000099231 16 1 -0.003118788 0.000250872 0.001505796 17 6 0.001730842 0.000803611 -0.003915072 18 1 -0.001248602 0.000118959 0.000663725 19 1 0.007183172 -0.000205545 0.005323184 20 6 0.003150464 -0.005035088 0.002865542 21 6 0.000828488 -0.004900012 0.001425932 22 6 -0.000335846 0.000029181 0.002866970 23 6 -0.008235759 0.002631285 0.002115414 24 6 0.007050234 0.003578765 -0.000935830 25 1 0.001229689 0.000520724 -0.001404757 26 1 0.000784039 0.001063642 -0.000485780 27 6 0.000334399 0.000408153 0.000563259 28 1 -0.000264558 -0.000725981 -0.000666739 29 1 0.000571062 0.001534967 -0.001434236 30 6 0.002427862 0.000895482 -0.002172167 31 6 -0.000639222 0.000220538 -0.000980640 32 1 0.001183344 0.000480971 0.002405307 33 1 -0.002089990 0.000294676 -0.001546219 34 1 -0.000030307 -0.001478696 0.001145195 35 1 -0.001011826 0.000417057 0.000193768 36 6 -0.001194055 0.000371017 0.000015645 37 1 -0.001101303 -0.000964906 -0.000239651 38 1 -0.000401410 0.000740862 0.000142352 39 1 -0.000970382 -0.000352805 0.000162970 40 1 0.000931648 -0.000368294 -0.000436263 41 6 -0.000368819 -0.000990383 -0.000488007 42 1 0.000898496 0.000497192 -0.000305957 43 1 -0.000644700 0.000666441 0.000446226 44 1 -0.000952890 -0.000722691 -0.001706863 ------------------------------------------------------------------- Cartesian Forces: Max 0.012335709 RMS 0.002953212 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.008886288 RMS 0.002164721 Search for a local minimum. Step number 11 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 9 11 10 DE= 3.63D-05 DEPred=-8.30D-04 R=-4.37D-02 Trust test=-4.37D-02 RLast= 6.63D-01 DXMaxT set to 5.52D-01 ITU= -1 1 -1 1 1 1 1 0 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00124 0.00230 0.00239 0.00289 0.00300 Eigenvalues --- 0.00352 0.00872 0.01307 0.01448 0.01483 Eigenvalues --- 0.01504 0.01588 0.01758 0.01802 0.01880 Eigenvalues --- 0.01919 0.02030 0.02089 0.02100 0.02156 Eigenvalues --- 0.02238 0.02422 0.02451 0.02491 0.02572 Eigenvalues --- 0.02634 0.03107 0.03441 0.03453 0.03608 Eigenvalues --- 0.04579 0.04746 0.04768 0.05176 0.05274 Eigenvalues --- 0.05417 0.05466 0.05476 0.05573 0.05654 Eigenvalues --- 0.06845 0.08242 0.08333 0.08564 0.08658 Eigenvalues --- 0.09501 0.11932 0.12212 0.12282 0.12718 Eigenvalues --- 0.14345 0.14918 0.15860 0.15987 0.15997 Eigenvalues --- 0.15999 0.16000 0.16000 0.16003 0.16006 Eigenvalues --- 0.16053 0.16133 0.16410 0.16906 0.17966 Eigenvalues --- 0.20397 0.21295 0.21902 0.22000 0.22111 Eigenvalues --- 0.22507 0.22950 0.23462 0.24098 0.24127 Eigenvalues --- 0.24693 0.24889 0.24921 0.25882 0.26301 Eigenvalues --- 0.27947 0.28286 0.28347 0.28915 0.29206 Eigenvalues --- 0.30942 0.31717 0.32729 0.32839 0.33535 Eigenvalues --- 0.33568 0.33667 0.33693 0.33695 0.33716 Eigenvalues --- 0.33728 0.33742 0.33745 0.33761 0.33781 Eigenvalues --- 0.33790 0.33847 0.33995 0.34390 0.35412 Eigenvalues --- 0.36825 0.37814 0.38216 0.38544 0.38956 Eigenvalues --- 0.39681 0.43552 0.44275 0.47675 0.49413 Eigenvalues --- 0.50339 0.51593 0.52257 0.54878 0.56005 Eigenvalues --- 0.56650 0.58256 0.64009 0.81513 0.90090 Eigenvalues --- 1.29611 RFO step: Lambda=-2.30628435D-03 EMin= 1.23781422D-03 Quartic linear search produced a step of -0.47727. Iteration 1 RMS(Cart)= 0.23814334 RMS(Int)= 0.00685863 Iteration 2 RMS(Cart)= 0.02028383 RMS(Int)= 0.00045871 Iteration 3 RMS(Cart)= 0.00028452 RMS(Int)= 0.00045523 Iteration 4 RMS(Cart)= 0.00000027 RMS(Int)= 0.00045523 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86702 0.00272 0.00158 -0.00147 0.00011 2.86713 R2 2.63755 0.00023 0.00043 -0.00268 -0.00225 2.63530 R3 2.75954 0.00275 0.00087 0.00497 0.00584 2.76538 R4 2.03257 0.00131 0.00087 0.00066 0.00152 2.03409 R5 2.04267 0.00152 0.00096 0.00017 0.00113 2.04380 R6 2.04883 0.00164 0.00088 0.00083 0.00171 2.05054 R7 2.04580 0.00141 0.00085 0.00031 0.00116 2.04696 R8 1.77564 0.00889 0.00295 0.00394 0.00689 1.78254 R9 2.25518 0.00518 0.00145 -0.00326 -0.00181 2.25337 R10 2.61849 0.00410 0.00092 0.00557 0.00648 2.62497 R11 2.77740 -0.00007 0.00177 -0.00762 -0.00582 2.77159 R12 2.57357 0.00365 -0.00001 0.00585 0.00581 2.57939 R13 1.88748 -0.00037 -0.00036 0.00024 -0.00011 1.88737 R14 2.25619 0.00888 0.00198 -0.00040 0.00158 2.25777 R15 2.58445 0.00767 0.00081 0.01035 0.01113 2.59558 R16 2.59471 0.00358 0.00069 0.00192 0.00261 2.59732 R17 2.53315 -0.00210 0.00065 -0.00875 -0.00808 2.52507 R18 2.01784 0.00136 -0.00101 0.00969 0.00869 2.02653 R19 2.81680 -0.00322 0.00333 -0.03132 -0.02800 2.78880 R20 2.61911 0.00456 0.00577 -0.02516 -0.01952 2.59959 R21 2.63412 0.00072 -0.00094 0.00376 0.00273 2.63685 R22 2.61129 0.00385 -0.00168 0.01260 0.01089 2.62218 R23 2.03194 0.00035 -0.00098 0.00706 0.00608 2.03802 R24 2.61188 0.00697 0.00379 -0.00122 0.00266 2.61454 R25 2.03750 -0.00118 -0.00068 -0.00182 -0.00250 2.03500 R26 2.62547 0.00330 -0.00252 0.01841 0.01603 2.64150 R27 2.85910 0.00221 0.00043 0.01497 0.01539 2.87450 R28 2.59804 0.00718 0.00530 -0.01073 -0.00540 2.59264 R29 2.03342 0.00000 -0.00008 -0.00409 -0.00417 2.02925 R30 2.02125 0.00211 -0.00079 0.00718 0.00639 2.02764 R31 2.90141 0.00479 -0.00011 0.02253 0.02242 2.92382 R32 2.04702 0.00197 0.00177 -0.00080 0.00097 2.04800 R33 2.05176 0.00108 0.00023 0.00293 0.00316 2.05491 R34 2.88133 0.00389 0.00140 0.00356 0.00495 2.88628 R35 2.05399 0.00073 0.00036 -0.00083 -0.00047 2.05352 R36 2.05356 0.00067 0.00079 0.00012 0.00091 2.05447 R37 2.88344 0.00302 0.00127 -0.00080 0.00047 2.88391 R38 2.05290 -0.00119 0.00058 -0.01129 -0.01071 2.04219 R39 2.05700 0.00082 0.00034 0.00146 0.00180 2.05879 R40 2.05423 0.00097 0.00053 0.00060 0.00112 2.05535 R41 2.05294 0.00100 0.00080 0.00041 0.00121 2.05415 R42 2.88307 0.00180 0.00097 -0.00132 -0.00034 2.88272 R43 2.04979 0.00104 0.00065 0.00061 0.00127 2.05106 R44 2.05044 0.00100 0.00059 0.00081 0.00140 2.05184 R45 2.04702 0.00194 0.00099 0.00045 0.00144 2.04846 A1 1.95788 -0.00030 -0.00085 -0.00110 -0.00195 1.95594 A2 1.94405 0.00254 0.00023 0.00445 0.00468 1.94873 A3 1.93005 -0.00129 -0.00097 -0.00125 -0.00225 1.92781 A4 1.85833 -0.00262 -0.00107 -0.00201 -0.00307 1.85525 A5 1.92903 0.00107 0.00169 -0.00566 -0.00398 1.92505 A6 1.83981 0.00066 0.00111 0.00595 0.00705 1.84686 A7 1.92410 0.00012 -0.00010 0.00019 0.00010 1.92420 A8 1.91515 0.00146 0.00167 0.00127 0.00294 1.91809 A9 1.93406 -0.00042 -0.00058 -0.00037 -0.00095 1.93311 A10 1.88599 -0.00058 0.00002 -0.00042 -0.00040 1.88559 A11 1.91060 -0.00012 -0.00073 0.00005 -0.00068 1.90993 A12 1.89303 -0.00047 -0.00028 -0.00074 -0.00101 1.89202 A13 1.92105 -0.00178 -0.00204 0.00061 -0.00143 1.91961 A14 2.06178 0.00680 -0.00070 0.02419 0.02357 2.08535 A15 2.22819 -0.00585 -0.00019 -0.01264 -0.01275 2.21544 A16 1.98986 -0.00059 0.00196 -0.01237 -0.01029 1.97957 A17 2.25667 -0.00234 -0.00119 -0.00462 -0.00584 2.25084 A18 2.01702 0.00049 -0.00057 0.00295 0.00240 2.01942 A19 2.00843 0.00187 0.00200 0.00104 0.00305 2.01148 A20 2.14992 -0.00355 -0.00127 -0.00583 -0.00703 2.14288 A21 1.98094 0.00152 0.00099 0.00648 0.00743 1.98837 A22 2.15199 0.00208 0.00044 -0.00080 -0.00029 2.15170 A23 2.04301 0.00458 0.00324 0.00041 0.00385 2.04685 A24 2.10973 -0.00271 -0.00028 -0.00186 -0.00197 2.10775 A25 2.11802 -0.00178 0.00006 -0.00344 -0.00324 2.11478 A26 2.18769 -0.00151 0.00103 -0.01405 -0.01308 2.17461 A27 1.96218 0.00373 0.00081 0.02599 0.02670 1.98888 A28 2.13295 -0.00220 -0.00181 -0.01257 -0.01446 2.11848 A29 2.02968 0.00481 -0.00192 0.02641 0.02450 2.05418 A30 2.12866 -0.00571 0.00072 -0.01139 -0.01070 2.11796 A31 2.12435 0.00092 0.00132 -0.01554 -0.01426 2.11009 A32 2.10415 0.00190 0.00244 -0.01466 -0.01217 2.09198 A33 2.13456 -0.00463 -0.00053 -0.00351 -0.00399 2.13056 A34 2.04443 0.00273 -0.00190 0.01821 0.01620 2.06063 A35 2.12065 -0.00173 0.00120 -0.01106 -0.01001 2.11064 A36 2.10685 -0.00094 0.00213 -0.02118 -0.01915 2.08770 A37 2.05556 0.00267 -0.00329 0.03261 0.02920 2.08477 A38 2.12000 -0.00024 -0.00024 0.00340 0.00335 2.12335 A39 2.07842 -0.00060 -0.00148 -0.00388 -0.00545 2.07297 A40 2.08457 0.00084 0.00180 0.00024 0.00196 2.08654 A41 2.04113 0.00094 0.00012 -0.00273 -0.00349 2.03764 A42 2.09469 0.00232 0.00419 -0.01434 -0.01151 2.08318 A43 2.14733 -0.00326 -0.00429 0.01781 0.01204 2.15936 A44 2.12884 -0.00140 0.00025 -0.00304 -0.00271 2.12614 A45 2.08774 0.00045 -0.00054 0.00780 0.00690 2.09464 A46 2.06637 0.00095 0.00035 -0.00563 -0.00566 2.06071 A47 2.11105 -0.00030 0.00065 -0.00546 -0.00477 2.10628 A48 2.09304 -0.00037 -0.00007 -0.00034 -0.00046 2.09258 A49 2.07907 0.00067 -0.00057 0.00588 0.00525 2.08432 A50 1.98367 0.00664 0.00223 0.08057 0.08149 2.06516 A51 1.89671 -0.00295 0.00233 -0.05322 -0.04916 1.84755 A52 1.91562 -0.00110 -0.00252 0.01107 0.00529 1.92091 A53 1.87796 -0.00076 0.00404 -0.05787 -0.05221 1.82575 A54 1.93110 -0.00324 -0.00590 0.02133 0.01259 1.94369 A55 1.85350 0.00106 -0.00008 -0.01122 -0.01141 1.84209 A56 1.99344 0.00684 -0.00233 0.07845 0.07560 2.06904 A57 1.88996 -0.00165 0.00379 0.00161 0.00374 1.89370 A58 1.90178 -0.00273 -0.00099 -0.03754 -0.03762 1.86416 A59 1.89572 -0.00072 0.00177 -0.00051 -0.00056 1.89516 A60 1.91629 -0.00290 -0.00049 -0.03522 -0.03481 1.88149 A61 1.86198 0.00083 -0.00167 -0.01167 -0.01365 1.84833 A62 1.96852 0.00070 0.00078 -0.00883 -0.00805 1.96047 A63 1.91341 0.00026 -0.00009 0.01647 0.01628 1.92969 A64 1.90948 -0.00022 -0.00061 0.00132 0.00063 1.91011 A65 1.90196 -0.00046 0.00128 -0.01856 -0.01722 1.88474 A66 1.90739 -0.00044 0.00023 -0.00334 -0.00312 1.90428 A67 1.85990 0.00013 -0.00173 0.01417 0.01233 1.87222 A68 1.91023 -0.00022 -0.00013 -0.00066 -0.00079 1.90943 A69 1.90896 -0.00060 0.00001 -0.00093 -0.00092 1.90804 A70 1.96722 0.00156 0.00089 -0.00080 0.00009 1.96731 A71 1.85244 0.00041 -0.00031 0.00403 0.00372 1.85616 A72 1.91090 -0.00071 -0.00024 -0.00058 -0.00082 1.91009 A73 1.91056 -0.00051 -0.00030 -0.00076 -0.00106 1.90950 A74 1.94224 -0.00048 -0.00057 0.00058 0.00001 1.94225 A75 1.94296 -0.00047 -0.00068 0.00050 -0.00017 1.94279 A76 1.93531 0.00126 0.00104 0.00032 0.00136 1.93667 A77 1.88012 0.00023 -0.00008 0.00019 0.00011 1.88023 A78 1.88037 -0.00027 0.00018 -0.00106 -0.00088 1.87949 A79 1.88008 -0.00028 0.00013 -0.00063 -0.00051 1.87957 D1 -3.13238 0.00087 0.00071 -0.00055 0.00016 -3.13222 D2 1.07562 0.00061 -0.00029 -0.00094 -0.00123 1.07439 D3 -1.01446 0.00052 -0.00065 -0.00061 -0.00126 -1.01572 D4 -1.05119 -0.00093 -0.00106 -0.00081 -0.00187 -1.05305 D5 -3.12637 -0.00119 -0.00206 -0.00119 -0.00325 -3.12963 D6 1.06673 -0.00128 -0.00243 -0.00086 -0.00328 1.06345 D7 0.98858 0.00065 -0.00015 0.00854 0.00838 0.99696 D8 -1.08661 0.00039 -0.00115 0.00815 0.00699 -1.07961 D9 3.10650 0.00030 -0.00152 0.00848 0.00696 3.11346 D10 -1.07587 0.00081 -0.00204 0.00986 0.00783 -1.06805 D11 3.07651 -0.00042 -0.00111 0.00636 0.00526 3.08177 D12 1.08692 -0.00029 -0.00266 0.00324 0.00058 1.08750 D13 1.54481 0.00037 0.01679 -0.02439 -0.00759 1.53722 D14 -1.43024 -0.00009 -0.00688 0.00843 0.00156 -1.42868 D15 -2.59884 -0.00019 0.01520 -0.02438 -0.00919 -2.60804 D16 0.70929 -0.00064 -0.00848 0.00843 -0.00004 0.70926 D17 -0.54915 0.00013 0.01715 -0.02895 -0.01182 -0.56097 D18 2.75898 -0.00032 -0.00652 0.00387 -0.00266 2.75632 D19 -3.11707 -0.00199 -0.00553 -0.00855 -0.01408 -3.13116 D20 0.07694 -0.00244 -0.01245 0.00706 -0.00543 0.07151 D21 -0.05665 0.00204 0.01091 -0.01910 -0.00807 -0.06472 D22 3.13736 0.00160 0.00399 -0.00349 0.00059 3.13795 D23 3.05919 0.00405 0.01421 0.00410 0.01826 3.07745 D24 -0.04905 0.00341 0.00976 0.02182 0.03158 -0.01747 D25 0.00805 -0.00118 -0.00411 0.01381 0.00967 0.01772 D26 -3.10019 -0.00183 -0.00855 0.03153 0.02299 -3.07720 D27 -3.07528 0.00040 -0.00481 0.01496 0.01010 -3.06518 D28 0.09337 -0.00175 -0.01508 0.02085 0.00582 0.09919 D29 0.01411 0.00081 0.00203 -0.00054 0.00147 0.01557 D30 -3.10042 -0.00134 -0.00823 0.00535 -0.00282 -3.10324 D31 -3.05714 0.00031 -0.01109 0.01560 0.00439 -3.05275 D32 -0.08294 0.00067 0.01268 -0.01722 -0.00467 -0.08761 D33 0.11155 -0.00175 -0.02136 0.02159 0.00020 0.11175 D34 3.08575 -0.00138 0.00241 -0.01123 -0.00886 3.07689 D35 3.01602 0.00078 0.01644 -0.01821 -0.00171 3.01431 D36 -0.15406 0.00153 0.01753 -0.04297 -0.02563 -0.17969 D37 0.04818 -0.00030 -0.00847 0.01565 0.00712 0.05530 D38 -3.12190 0.00045 -0.00739 -0.00911 -0.01680 -3.13870 D39 -0.00697 0.00047 0.00363 -0.01363 -0.00996 -0.01693 D40 3.10136 0.00098 0.00805 -0.03122 -0.02314 3.07822 D41 -3.11744 -0.00044 0.00240 0.01284 0.01502 -3.10242 D42 -0.00911 0.00007 0.00683 -0.00475 0.00184 -0.00727 D43 2.54285 -0.00052 0.12060 -0.13398 -0.01325 2.52960 D44 -0.60953 -0.00073 0.12308 -0.12938 -0.00620 -0.61574 D45 -0.56359 -0.00126 0.11596 -0.11610 -0.00024 -0.56384 D46 2.56721 -0.00148 0.11844 -0.11150 0.00680 2.57401 D47 3.11726 -0.00038 0.00621 0.00752 0.01389 3.13116 D48 -0.04147 -0.00044 0.01101 0.03391 0.04456 0.00309 D49 -0.01408 -0.00013 0.00385 0.00327 0.00724 -0.00684 D50 3.11037 -0.00019 0.00865 0.02966 0.03791 -3.13491 D51 -3.11497 0.00008 -0.00628 -0.01276 -0.01911 -3.13408 D52 0.01893 0.00039 -0.00488 -0.00186 -0.00689 0.01204 D53 0.01618 -0.00013 -0.00386 -0.00849 -0.01235 0.00384 D54 -3.13310 0.00018 -0.00247 0.00241 -0.00013 -3.13323 D55 0.01573 0.00018 -0.00396 0.02631 0.02232 0.03804 D56 3.13604 0.00023 0.00273 0.01341 0.01606 -3.13109 D57 -3.10921 0.00027 -0.00865 0.00116 -0.00785 -3.11705 D58 0.01110 0.00032 -0.00197 -0.01174 -0.01411 -0.00300 D59 -0.01804 -0.00002 0.00374 -0.04843 -0.04462 -0.06266 D60 3.11441 0.00010 0.00613 0.03924 0.04464 -3.12414 D61 -3.13827 -0.00005 -0.00295 -0.03543 -0.03823 3.10668 D62 -0.00583 0.00006 -0.00056 0.05224 0.05104 0.04521 D63 0.02035 -0.00027 -0.00380 0.04325 0.03938 0.05973 D64 -3.09788 -0.00043 -0.00833 0.08799 0.07982 -3.01806 D65 -3.11179 -0.00042 -0.00629 -0.04711 -0.05403 3.11736 D66 0.05316 -0.00059 -0.01082 -0.00237 -0.01359 0.03957 D67 -1.65675 0.00068 0.07215 -0.09253 -0.01967 -1.67642 D68 0.43360 0.00191 0.08040 -0.15136 -0.07140 0.36220 D69 2.45362 0.00091 0.08023 -0.18859 -0.10879 2.34483 D70 1.47512 0.00083 0.07471 0.00057 0.07609 1.55120 D71 -2.71772 0.00206 0.08296 -0.05826 0.02436 -2.69337 D72 -0.69771 0.00106 0.08278 -0.09550 -0.01303 -0.71073 D73 -0.02012 0.00036 0.00399 -0.01530 -0.01148 -0.03160 D74 3.12910 0.00006 0.00260 -0.02608 -0.02361 3.10549 D75 3.09838 0.00051 0.00846 -0.05934 -0.05100 3.04738 D76 -0.03558 0.00021 0.00708 -0.07013 -0.06314 -0.09871 D77 -1.20897 -0.00154 0.00123 -0.13143 -0.13152 -1.34049 D78 0.90550 0.00085 0.00471 -0.07929 -0.07521 0.83030 D79 2.92440 -0.00051 0.00424 -0.11220 -0.10864 2.81577 D80 2.97326 -0.00145 -0.00599 -0.07466 -0.08076 2.89250 D81 -1.19545 0.00094 -0.00252 -0.02252 -0.02445 -1.21990 D82 0.82345 -0.00041 -0.00298 -0.05542 -0.05788 0.76557 D83 0.95549 -0.00055 -0.00502 -0.03964 -0.04457 0.91092 D84 3.06996 0.00184 -0.00155 0.01250 0.01175 3.08171 D85 -1.19432 0.00048 -0.00201 -0.02041 -0.02169 -1.21601 D86 3.07441 0.00143 0.00952 0.02345 0.03329 3.10770 D87 0.95174 0.00136 0.00742 0.04142 0.04926 1.00100 D88 -1.08197 0.00118 0.00990 0.01416 0.02438 -1.05759 D89 0.96313 -0.00047 0.00493 -0.03024 -0.02550 0.93763 D90 -1.15954 -0.00054 0.00283 -0.01227 -0.00953 -1.16907 D91 3.08994 -0.00072 0.00531 -0.03953 -0.03441 3.05553 D92 -1.06684 0.00054 0.00620 0.00354 0.00952 -1.05733 D93 3.09367 0.00048 0.00410 0.02151 0.02548 3.11915 D94 1.05997 0.00030 0.00658 -0.00575 0.00060 1.06057 D95 1.00136 -0.00019 0.00120 -0.00803 -0.00685 0.99451 D96 -1.02127 -0.00022 0.00164 -0.01197 -0.01035 -1.03162 D97 3.13231 -0.00020 0.00141 -0.00979 -0.00840 3.12391 D98 3.13049 0.00028 0.00252 -0.00612 -0.00357 3.12692 D99 1.10786 0.00025 0.00296 -0.01006 -0.00707 1.10079 D100 -1.02175 0.00028 0.00273 -0.00788 -0.00512 -1.02686 D101 -1.12663 -0.00007 0.00129 -0.00139 -0.00010 -1.12673 D102 3.13392 -0.00010 0.00173 -0.00532 -0.00360 3.13033 D103 1.00432 -0.00007 0.00150 -0.00314 -0.00165 1.00267 D104 1.04456 -0.00029 -0.00009 -0.00098 -0.00107 1.04349 D105 -1.05302 0.00006 0.00086 -0.00197 -0.00111 -1.05413 D106 3.13730 -0.00011 0.00045 -0.00172 -0.00126 3.13604 D107 -3.10806 -0.00002 0.00018 -0.00279 -0.00261 -3.11067 D108 1.07754 0.00034 0.00113 -0.00377 -0.00264 1.07490 D109 -1.01531 0.00017 0.00072 -0.00352 -0.00280 -1.01811 D110 -1.08414 -0.00022 -0.00050 0.00130 0.00080 -1.08334 D111 3.10146 0.00014 0.00045 0.00031 0.00077 3.10222 D112 1.00860 -0.00003 0.00005 0.00056 0.00061 1.00921 Item Value Threshold Converged? Maximum Force 0.008886 0.000450 NO RMS Force 0.002165 0.000300 NO Maximum Displacement 1.299616 0.001800 NO RMS Displacement 0.248403 0.001200 NO Predicted change in Energy=-1.673514D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.112968 -4.521603 2.632475 2 6 0 7.156866 -3.301779 3.533617 3 8 0 6.879732 -5.694647 3.349627 4 8 0 3.110132 -3.750235 -0.981148 5 6 0 3.918359 -3.940266 -0.125255 6 7 0 5.254301 -3.648572 -0.369595 7 6 0 6.330623 -3.798911 0.456253 8 8 0 7.430194 -3.439368 0.157711 9 7 0 6.038494 -4.424181 1.643797 10 6 0 4.745727 -4.752219 1.975806 11 6 0 3.687152 -4.561668 1.182986 12 1 0 8.025188 -4.604695 2.067169 13 1 0 7.329541 -2.409410 2.947464 14 1 0 7.969471 -3.398115 4.246239 15 1 0 5.451013 -3.226919 -1.253347 16 1 0 4.649826 -5.233530 2.929309 17 6 0 2.343765 -5.017332 1.589893 18 1 0 6.229801 -3.197548 4.084088 19 1 0 7.575498 -5.836672 3.970523 20 6 0 2.208799 -6.146351 2.364169 21 6 0 0.957309 -6.587681 2.769670 22 6 0 -0.202209 -5.941982 2.378756 23 6 0 -0.048946 -4.778472 1.619377 24 6 0 1.185379 -4.334255 1.217631 25 1 0 3.088003 -6.690130 2.671433 26 1 0 0.892668 -7.470197 3.383384 27 6 0 -1.545463 -6.457148 2.872790 28 1 0 -0.904683 -4.173841 1.384332 29 1 0 1.256046 -3.454442 0.607526 30 6 0 -2.347325 -7.412222 1.956962 31 6 0 -3.098890 -6.821426 0.765778 32 1 0 -1.330111 -7.044052 3.758052 33 1 0 -2.159904 -5.627912 3.215276 34 1 0 -1.676322 -8.186040 1.593881 35 1 0 -3.072205 -7.919091 2.589093 36 6 0 -3.800192 -7.891677 -0.065917 37 1 0 -2.420764 -6.285686 0.116936 38 1 0 -3.838549 -6.105507 1.122576 39 1 0 -4.478990 -8.455925 0.569559 40 1 0 -3.063647 -8.601687 -0.433312 41 6 0 -4.574198 -7.308919 -1.244208 42 1 0 -3.918158 -6.764409 -1.915894 43 1 0 -5.346647 -6.623547 -0.908766 44 1 0 -5.055653 -8.092734 -1.817694 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.517220 0.000000 3 O 1.394539 2.415879 0.000000 4 O 5.447566 6.079496 6.061868 0.000000 5 C 4.260112 4.927772 4.891053 1.192432 0.000000 6 N 3.637203 4.356040 4.545444 2.231993 1.389074 7 C 2.422868 3.224901 3.502421 3.527046 2.485388 8 O 2.719618 3.389746 3.946850 4.478456 3.558645 9 N 1.463376 2.466163 2.287274 3.989968 2.803336 10 C 2.467434 3.216231 2.707311 3.524588 2.399638 11 C 3.720059 4.376266 4.021262 2.382195 1.466660 12 H 1.076392 2.145237 2.035870 5.846376 4.702577 13 H 2.146505 1.081533 3.340187 5.919056 4.839555 14 H 2.144775 1.085098 2.695460 7.145820 5.984597 15 H 4.420171 5.082377 5.414636 2.414058 2.032359 16 H 2.581089 3.222127 2.315551 4.456736 3.396754 17 C 4.906936 5.466912 4.912272 2.967003 2.565375 18 H 2.154133 1.083205 2.682787 5.974480 4.859317 19 H 1.932282 2.606112 0.943278 6.986541 5.809167 20 C 5.173264 5.826025 4.795078 4.212472 3.739871 21 C 6.494585 7.057994 6.017387 5.172464 4.914999 22 C 7.456116 7.903187 7.152458 5.202337 5.220729 23 C 7.237773 7.600570 7.199980 4.218978 4.414277 24 C 6.096983 6.487562 6.230709 2.979997 3.070464 25 H 4.572130 5.364693 3.978460 4.688797 4.009078 26 H 6.924609 7.525853 6.244890 6.148529 5.824583 27 C 8.875388 9.280279 8.473057 6.622295 6.721333 28 H 8.121671 8.388594 8.171436 4.679068 5.059164 29 H 6.288306 6.588247 6.645561 2.459475 2.803730 30 C 9.915096 10.474313 9.488317 7.199061 7.459819 31 C 10.632769 11.190593 10.369127 7.143943 7.637853 32 H 8.883426 9.278134 8.330020 7.281827 7.229108 33 H 9.356801 9.608040 9.040880 6.993491 7.138107 34 H 9.579060 10.278317 9.082717 7.015503 7.230662 35 H 10.736971 11.262575 10.225830 8.267240 8.489211 36 C 11.736089 12.412935 11.426009 8.108130 8.671402 37 H 10.016584 10.597566 9.864017 6.182645 6.763440 38 H 11.168002 11.600567 10.954912 7.632635 8.149537 39 H 12.414024 13.066905 12.015573 9.063276 9.559780 40 H 11.384622 12.177209 11.028703 7.870975 8.400723 41 C 12.624882 13.285430 12.445952 8.472447 9.204531 42 H 12.140988 12.819639 12.060868 7.704276 8.520163 43 H 13.122521 13.678697 12.980027 8.931868 9.677510 44 H 13.439952 14.168112 13.225182 9.286396 10.031960 6 7 8 9 10 6 N 0.000000 7 C 1.364953 0.000000 8 O 2.248628 1.194761 0.000000 9 N 2.295708 1.373522 2.261666 0.000000 10 C 2.641512 2.393686 3.497915 1.374441 0.000000 11 C 2.387510 2.845677 4.039939 2.400013 1.336209 12 H 3.811798 2.473032 2.314743 2.039309 3.284049 13 H 4.104269 3.022364 2.975511 2.725005 3.620631 14 H 5.361044 4.148548 4.124146 3.399145 4.169051 15 H 0.998752 2.005896 2.439953 3.189359 3.640246 16 H 3.709481 3.316507 4.316389 2.058151 1.072393 17 C 3.766207 4.320269 5.514787 3.742427 2.447168 18 H 4.581518 3.678721 4.112888 2.737927 3.010703 19 H 5.386312 4.248797 4.506186 3.125886 3.628022 20 C 4.794522 5.112734 6.281654 4.260443 2.920690 21 C 6.079266 6.480867 7.657182 5.636201 4.283836 22 C 6.525845 7.139094 8.333648 6.464539 5.104897 23 C 5.775561 6.558300 7.737389 6.097790 4.807974 24 C 4.421037 5.228750 6.397028 4.872621 3.664096 25 H 4.815783 4.876551 5.978367 3.859528 2.643377 26 H 6.907496 7.184553 8.330174 6.227673 4.920848 27 C 8.039773 8.656709 9.850942 7.947314 6.579547 28 H 6.425360 7.304215 8.456608 6.952533 5.710648 29 H 4.120497 5.088505 6.190530 4.988594 3.966647 30 C 8.795603 9.519187 10.706108 8.907773 7.575444 31 C 9.007323 9.906923 11.075634 9.487333 8.202670 32 H 8.480639 8.950959 10.134059 8.101244 6.733848 33 H 8.469918 9.112985 10.300893 8.433994 7.070421 34 H 8.513365 9.200667 10.369287 8.583267 7.292442 35 H 9.814370 10.485135 11.673898 9.803714 8.457260 36 C 10.003999 10.938776 12.082824 10.571018 9.330464 37 H 8.130049 9.104173 10.254001 8.795201 7.560787 38 H 9.536404 10.448752 11.619975 10.032672 8.732077 39 H 10.896311 11.770656 12.929196 11.314876 10.039440 40 H 9.681201 10.588215 11.709805 10.228143 9.033746 41 C 10.524375 11.581315 12.690320 11.370643 10.186570 42 H 9.809867 10.929720 12.005867 10.829728 9.708612 43 H 11.023668 12.091339 13.210754 11.873257 10.662018 44 H 11.320014 12.379622 13.470427 12.186891 11.027997 11 12 13 14 15 11 C 0.000000 12 H 4.427436 0.000000 13 H 4.583950 2.465385 0.000000 14 H 5.392182 2.491443 1.753244 0.000000 15 H 3.290665 4.421590 4.673757 6.051229 0.000000 16 H 2.104230 3.540026 3.893181 4.015357 4.707759 17 C 1.475768 5.716347 5.788110 6.428577 4.576525 18 H 4.091733 3.044903 1.767060 1.758684 5.394032 19 H 4.951286 2.311438 3.585146 2.485517 6.213941 20 C 2.468186 6.024557 6.366079 6.654346 5.667579 21 C 3.751578 7.374324 7.622001 7.843723 6.904546 22 C 4.296773 8.341192 8.338450 8.759857 7.247252 23 C 3.767741 8.088408 7.862464 8.549900 6.396047 24 C 2.512327 6.897669 6.666939 7.488172 5.052481 25 H 2.665484 5.393512 6.032529 6.094760 5.742955 26 H 4.594610 7.798485 8.199691 8.210208 7.764225 27 C 5.816231 9.781512 9.754766 10.088509 8.741285 28 H 4.612581 8.966298 8.564990 9.356435 6.946142 29 H 2.732651 7.019610 6.592021 7.636326 4.594820 30 C 6.718602 10.746319 10.938508 11.304429 9.414718 31 C 7.164561 11.417207 11.531600 12.097160 9.492007 32 H 6.161666 9.814844 9.855280 10.000670 9.255716 33 H 6.281333 10.300545 10.023973 10.423009 9.146552 34 H 6.486275 10.352262 10.784582 11.090561 9.137751 35 H 7.677130 11.593522 11.776304 12.045910 10.460691 36 C 8.289092 12.457686 12.767407 13.315846 10.428555 37 H 6.435475 10.758580 10.867651 11.547562 8.555618 38 H 7.682660 11.995538 11.904519 12.510658 10.011355 39 H 9.067933 13.169254 13.477988 13.930671 11.369716 40 H 8.031653 12.049506 12.561540 13.065414 10.102476 41 C 9.038173 13.304983 13.537884 14.240190 10.824401 42 H 8.502698 12.773906 13.004961 13.806504 10.036642 43 H 9.499278 13.846946 13.903783 14.638868 11.324543 44 H 9.894905 14.084281 14.436064 15.115045 11.592441 16 17 18 19 20 16 H 0.000000 17 C 2.675573 0.000000 18 H 2.824015 4.963255 0.000000 19 H 3.163457 5.806009 2.964586 0.000000 20 C 2.666690 1.375646 5.274658 5.610502 0.000000 21 C 3.936228 2.404190 6.404676 6.768049 1.387599 22 C 4.934294 2.821217 7.197974 7.939618 2.419698 23 C 4.899128 2.404785 6.927971 8.048591 2.742849 24 C 3.967484 1.395361 5.912265 7.118237 2.376053 25 H 2.151157 2.126469 4.905570 4.749067 1.078474 26 H 4.396033 3.367319 6.872519 6.904589 2.126869 27 C 6.315223 4.341082 8.517451 9.207711 3.801286 28 H 5.861951 3.362462 7.690429 9.020358 3.813745 29 H 4.480355 2.142617 6.073773 7.544551 3.352597 30 C 7.392718 5.279826 9.790569 10.246911 4.746210 31 C 8.200298 5.792790 10.543631 11.188507 5.584097 32 H 6.302734 4.722910 8.488473 8.989593 3.908026 33 H 6.827132 4.826770 8.777736 9.766884 4.480929 34 H 7.107801 5.118772 9.674346 9.836876 4.455092 35 H 8.182771 6.225057 10.538278 10.937019 5.575141 36 C 9.350933 6.982248 11.826165 12.244273 6.712635 37 H 7.681778 5.145781 10.005357 10.722733 5.148041 38 H 8.722221 6.294721 10.890291 11.767053 6.173624 39 H 9.964313 7.708112 12.437067 12.796004 7.299403 40 H 9.063628 6.795665 11.661037 11.841895 6.453934 41 C 10.334801 7.819317 12.728728 13.303234 7.770521 42 H 9.961423 7.386102 12.316792 12.946611 7.499369 43 H 10.797798 8.244129 13.064463 13.835044 8.247701 44 H 11.176109 8.707533 13.643876 14.076194 8.605153 21 22 23 24 25 21 C 0.000000 22 C 1.383555 0.000000 23 C 2.368324 1.397820 0.000000 24 C 2.745682 2.420412 1.371964 0.000000 25 H 2.135416 3.386869 3.821218 3.359117 0.000000 26 H 1.076874 2.131543 3.353169 3.822342 2.436160 27 C 2.508295 1.521118 2.574599 3.834544 4.643688 28 H 3.348552 2.146782 1.073830 2.102827 4.891818 29 H 3.818547 3.384024 2.116578 1.072983 4.252700 30 C 3.501567 2.634585 3.511858 4.743468 5.529437 31 C 4.530229 3.430143 3.768879 4.974450 6.475060 32 H 2.533272 2.095037 3.368704 4.486026 4.563523 33 H 3.291920 2.151970 2.779314 4.105490 5.381877 34 H 3.297461 2.797291 3.776311 4.813226 5.108587 35 H 4.247616 3.491429 4.465862 5.732274 6.282140 36 C 5.689884 4.766889 5.157918 6.257689 7.508931 37 H 4.305761 3.186840 3.186620 4.245454 6.085683 38 H 5.093689 3.850675 4.045852 5.327871 7.121647 39 H 6.155012 5.280526 5.852441 7.035142 8.049552 40 H 5.521177 4.813479 5.283836 6.244262 7.150964 41 C 6.872334 5.840263 5.922938 6.934119 8.626962 42 H 6.764313 5.738352 5.604721 6.463027 8.374687 43 H 7.298770 6.143091 6.153165 7.240841 9.163273 44 H 7.711343 6.766967 6.918447 7.892391 9.404185 26 27 28 29 30 26 H 0.000000 27 C 2.689137 0.000000 28 H 4.253545 2.799928 0.000000 29 H 4.895275 4.690002 2.406182 0.000000 30 C 3.540564 1.547220 3.591133 5.519899 0.000000 31 C 4.817188 2.642978 3.493831 5.507004 1.527354 32 H 2.294063 1.083753 3.748820 5.431328 2.101000 33 H 3.569379 1.087413 2.653725 4.815915 2.191403 34 H 3.211614 2.154484 4.091097 5.653291 1.086677 35 H 4.068491 2.132768 4.491825 6.526365 1.087178 36 C 5.839372 3.972113 4.930467 6.760779 2.536285 37 H 4.801206 2.896599 2.892176 4.666428 2.158744 38 H 5.418306 2.906053 3.522416 5.766135 2.151152 39 H 6.143613 4.231497 5.636999 7.609659 2.749218 40 H 5.612474 4.223061 5.250788 6.799796 2.764299 41 C 7.164303 5.181547 5.495750 7.230329 3.900913 42 H 7.191977 5.353092 5.165613 6.640476 4.229207 43 H 7.620263 5.364406 5.566901 7.479165 4.222598 44 H 7.925988 6.082534 6.545322 8.199572 4.695334 31 32 33 34 35 31 C 0.000000 32 H 3.483080 0.000000 33 H 2.882049 1.728761 0.000000 34 H 2.138136 2.471364 3.067050 0.000000 35 H 2.128393 2.273114 2.544386 1.734992 0.000000 36 C 1.526100 4.630606 4.310616 2.711532 2.753143 37 H 1.080680 3.875871 3.178117 2.519307 3.033801 38 H 1.089467 3.757507 2.724947 3.037428 2.455003 39 H 2.148200 4.698437 4.513938 2.996167 2.519078 40 H 2.146716 4.795717 4.792941 2.491373 3.098538 41 C 2.540517 5.967987 5.342434 4.149913 4.162029 42 H 2.804606 6.242584 5.541840 4.400611 4.726926 43 H 2.809922 6.171594 5.306066 4.709130 4.368814 44 H 3.481303 6.787366 6.308050 4.802856 4.835699 36 37 38 39 40 36 C 0.000000 37 H 2.124963 0.000000 38 H 2.145785 1.747538 0.000000 39 H 1.087645 3.025078 2.498091 0.000000 40 H 1.087011 2.465752 3.041739 1.740745 0.000000 41 C 1.525471 2.745359 2.755186 2.148124 2.147224 42 H 2.169576 2.569779 3.110111 3.058305 2.510743 43 H 2.170269 3.118815 2.582455 2.509159 3.057971 44 H 2.164561 3.735085 3.751746 2.482624 2.478636 41 42 43 44 41 C 0.000000 42 H 1.085376 0.000000 43 H 1.085787 1.753490 0.000000 44 H 1.083997 1.751566 1.751952 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.883485 -1.009038 0.394015 2 6 0 -5.374972 -1.399560 -0.987249 3 8 0 -4.385009 -2.102648 1.101319 4 8 0 -0.953747 2.707985 -0.251640 5 6 0 -1.749471 1.827473 -0.135811 6 7 0 -3.081087 2.137356 0.109746 7 6 0 -4.140325 1.294450 0.284735 8 8 0 -5.262134 1.684001 0.416068 9 7 0 -3.794332 -0.034200 0.323984 10 6 0 -2.501589 -0.439751 0.092836 11 6 0 -1.474367 0.386895 -0.123788 12 1 0 -5.670005 -0.530643 0.951818 13 1 0 -5.745670 -0.529786 -1.512405 14 1 0 -6.188519 -2.112503 -0.901868 15 1 0 -3.305987 3.110453 0.112590 16 1 0 -2.361657 -1.501477 0.149259 17 6 0 -0.103099 -0.134269 -0.284736 18 1 0 -4.579149 -1.856121 -1.563054 19 1 0 -5.065006 -2.744943 1.223110 20 6 0 0.283362 -1.266620 0.394109 21 6 0 1.563214 -1.782895 0.249644 22 6 0 2.512063 -1.160872 -0.542188 23 6 0 2.096540 -0.030035 -1.251024 24 6 0 0.831773 0.484124 -1.115782 25 1 0 -0.421125 -1.768268 1.038433 26 1 0 1.825647 -2.676658 0.789991 27 6 0 3.892262 -1.784918 -0.681525 28 1 0 2.753615 0.426390 -1.967293 29 1 0 0.564061 1.373427 -1.653149 30 6 0 5.026919 -1.269557 0.235452 31 6 0 5.683087 0.068951 -0.097189 32 1 0 3.774453 -2.827697 -0.410868 33 1 0 4.196816 -1.787413 -1.725415 34 1 0 4.654240 -1.228585 1.255401 35 1 0 5.803584 -2.030306 0.232440 36 6 0 6.748043 0.461914 0.922826 37 1 0 4.943934 0.856706 -0.128269 38 1 0 6.138757 0.013806 -1.085249 39 1 0 7.497588 -0.323875 0.983570 40 1 0 6.294621 0.529140 1.908464 41 6 0 7.426643 1.785892 0.585712 42 1 0 6.708124 2.598515 0.548120 43 1 0 7.924611 1.739981 -0.378058 44 1 0 8.172530 2.039973 1.330122 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6521754 0.1000137 0.0907826 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1726.0990895481 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.82D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999950 0.000526 -0.004000 0.009158 Ang= 1.15 deg. B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999765 -0.021155 -0.003337 0.003444 Ang= -2.49 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) = -990.109384830 A.U. after 14 cycles NFock= 14 Conv=0.66D-08 -V/T= 2.0011 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.001336975 -0.002235935 -0.002040533 2 6 0.000919784 0.000092857 0.001016798 3 8 -0.006657836 -0.001235551 -0.002515263 4 8 -0.004230722 0.005624253 -0.001416605 5 6 0.008123951 -0.011613293 -0.001885006 6 7 -0.001085854 0.006014612 -0.001757486 7 6 -0.004965879 -0.007519143 0.001050952 8 8 0.005074854 0.003922512 -0.001866988 9 7 0.002595499 0.004875746 0.003011855 10 6 0.002143526 -0.002388911 0.000689428 11 6 0.001773993 0.004035808 0.002566467 12 1 0.000828580 0.000931056 -0.000609688 13 1 0.000083524 0.001081903 -0.000400337 14 1 0.000589828 0.000402460 0.000828162 15 1 0.000184694 -0.000179813 0.000206051 16 1 0.000866931 0.003912468 -0.001403728 17 6 -0.002764395 0.004550378 -0.008159410 18 1 -0.000922267 0.000138098 0.000414702 19 1 0.003697336 0.000095871 0.002741395 20 6 -0.002437768 -0.008493374 0.008592578 21 6 0.002976176 -0.006390038 -0.002544018 22 6 -0.002293360 0.005009643 0.001893200 23 6 -0.009204450 -0.002898464 0.005000023 24 6 0.005877923 0.003204439 -0.002310826 25 1 -0.004111436 -0.001738332 -0.001518122 26 1 0.000086165 0.000125965 -0.000151841 27 6 0.001289498 -0.003664721 0.002067270 28 1 -0.003508046 -0.002318399 -0.003466095 29 1 0.000091519 -0.000238091 0.001560104 30 6 0.002274405 0.000392664 -0.000733246 31 6 0.000404745 0.002116600 0.002780523 32 1 -0.000677384 0.001545250 0.003507254 33 1 -0.001732483 0.000109035 -0.004147144 34 1 0.001691462 -0.000256751 0.000783214 35 1 -0.000265419 -0.000219863 0.000706762 36 6 -0.001522115 -0.000924464 0.000938665 37 1 0.003777310 0.004417920 -0.000911821 38 1 0.001082104 0.000971116 -0.000542832 39 1 -0.000487805 -0.000569236 -0.000098117 40 1 0.000359329 -0.000323279 -0.000161408 41 6 -0.000756820 -0.000478621 -0.000770679 42 1 0.000487329 0.000381470 -0.000205870 43 1 -0.000186377 0.000350438 0.000286189 44 1 -0.000807022 -0.000616283 -0.001024530 ------------------------------------------------------------------- Cartesian Forces: Max 0.011613293 RMS 0.003129078 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.015119438 RMS 0.002752520 Search for a local minimum. Step number 12 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Iteration 1 RMS(Cart)= 0.22197929 RMS(Int)= 0.00634673 Iteration 2 RMS(Cart)= 0.03168459 RMS(Int)= 0.00008750 Iteration 3 RMS(Cart)= 0.00024248 RMS(Int)= 0.00000001 Iteration 4 RMS(Cart)= 0.00000004 RMS(Int)= 0.00000000 Update second derivatives using D2CorX and points 9 11 10 DE= 3.63D-05 DEPred=-1.67D-03 R=-2.17D-02 Trust test=-2.17D-02 RLast= 6.63D-01 DXMaxT set to 2.76D-01 ITU= -1 -1 1 -1 1 1 1 1 0 1 1 0 Use linear search instead of GDIIS. Energy rises -- skip Quadratic/GDIIS search. Quartic linear search produced a step of -0.47727. Iteration 1 RMS(Cart)= 0.16122739 RMS(Int)= 0.00356817 Iteration 2 RMS(Cart)= 0.00947603 RMS(Int)= 0.00006703 Iteration 3 RMS(Cart)= 0.00003136 RMS(Int)= 0.00006641 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00006641 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86702 0.00272 0.00158 0.00000 0.00169 2.86871 R2 2.63755 0.00023 0.00043 0.00000 -0.00182 2.63573 R3 2.75954 0.00275 0.00087 0.00000 0.00671 2.76625 R4 2.03257 0.00131 0.00087 0.00000 0.00239 2.03495 R5 2.04267 0.00152 0.00096 0.00000 0.00210 2.04477 R6 2.04883 0.00164 0.00088 0.00000 0.00258 2.05142 R7 2.04580 0.00141 0.00085 0.00000 0.00201 2.04781 R8 1.77564 0.00889 0.00295 0.00000 0.00985 1.78549 R9 2.25518 0.00518 0.00145 0.00000 -0.00036 2.25482 R10 2.61849 0.00410 0.00092 0.00000 0.00742 2.62591 R11 2.77740 -0.00007 0.00177 0.00000 -0.00403 2.77337 R12 2.57357 0.00365 -0.00001 0.00000 0.00582 2.57939 R13 1.88748 -0.00037 -0.00036 0.00000 -0.00047 1.88701 R14 2.25619 0.00888 0.00198 0.00000 0.00357 2.25976 R15 2.58445 0.00767 0.00081 0.00000 0.01192 2.59638 R16 2.59471 0.00358 0.00069 0.00000 0.00328 2.59798 R17 2.53315 -0.00210 0.00065 0.00000 -0.00744 2.52571 R18 2.01784 0.00136 -0.00101 0.00000 0.00768 2.02552 R19 2.81680 -0.00322 0.00333 0.00000 -0.02467 2.79212 R20 2.61911 0.00456 0.00577 0.00000 -0.01376 2.60535 R21 2.63412 0.00072 -0.00094 0.00000 0.00176 2.63589 R22 2.61129 0.00385 -0.00168 0.00000 0.00922 2.62052 R23 2.03194 0.00035 -0.00098 0.00000 0.00510 2.03704 R24 2.61188 0.00697 0.00379 0.00000 0.00647 2.61835 R25 2.03750 -0.00118 -0.00068 0.00000 -0.00318 2.03432 R26 2.62547 0.00330 -0.00252 0.00000 0.01351 2.63898 R27 2.85910 0.00221 0.00043 0.00000 0.01582 2.87492 R28 2.59804 0.00718 0.00530 0.00000 -0.00012 2.59792 R29 2.03342 0.00000 -0.00008 0.00000 -0.00426 2.02916 R30 2.02125 0.00211 -0.00079 0.00000 0.00560 2.02685 R31 2.90141 0.00479 -0.00011 0.00000 0.02230 2.92371 R32 2.04702 0.00197 0.00177 0.00000 0.00274 2.04976 R33 2.05176 0.00108 0.00023 0.00000 0.00339 2.05514 R34 2.88133 0.00389 0.00140 0.00000 0.00635 2.88768 R35 2.05399 0.00073 0.00036 0.00000 -0.00011 2.05388 R36 2.05356 0.00067 0.00079 0.00000 0.00170 2.05526 R37 2.88344 0.00302 0.00127 0.00000 0.00174 2.88518 R38 2.05290 -0.00119 0.00058 0.00000 -0.01012 2.04277 R39 2.05700 0.00082 0.00034 0.00000 0.00214 2.05914 R40 2.05423 0.00097 0.00053 0.00000 0.00165 2.05588 R41 2.05294 0.00100 0.00080 0.00000 0.00201 2.05496 R42 2.88307 0.00180 0.00097 0.00000 0.00063 2.88369 R43 2.04979 0.00104 0.00065 0.00000 0.00192 2.05172 R44 2.05044 0.00100 0.00059 0.00000 0.00199 2.05243 R45 2.04702 0.00194 0.00099 0.00000 0.00243 2.04945 A1 1.95788 -0.00030 -0.00085 0.00000 -0.00279 1.95509 A2 1.94405 0.00254 0.00023 0.00000 0.00491 1.94896 A3 1.93005 -0.00129 -0.00097 0.00000 -0.00322 1.92683 A4 1.85833 -0.00262 -0.00107 0.00000 -0.00414 1.85419 A5 1.92903 0.00107 0.00169 0.00000 -0.00229 1.92673 A6 1.83981 0.00066 0.00111 0.00000 0.00816 1.84797 A7 1.92410 0.00012 -0.00010 0.00000 -0.00000 1.92410 A8 1.91515 0.00146 0.00167 0.00000 0.00460 1.91976 A9 1.93406 -0.00042 -0.00058 0.00000 -0.00153 1.93253 A10 1.88599 -0.00058 0.00002 0.00000 -0.00039 1.88560 A11 1.91060 -0.00012 -0.00073 0.00000 -0.00140 1.90920 A12 1.89303 -0.00047 -0.00028 0.00000 -0.00129 1.89174 A13 1.92105 -0.00178 -0.00204 0.00000 -0.00347 1.91758 A14 2.06178 0.00680 -0.00070 0.00000 0.02289 2.08467 A15 2.22819 -0.00585 -0.00019 0.00000 -0.01295 2.21524 A16 1.98986 -0.00059 0.00196 0.00000 -0.00829 1.98157 A17 2.25667 -0.00234 -0.00119 0.00000 -0.00698 2.24970 A18 2.01702 0.00049 -0.00057 0.00000 0.00184 2.01886 A19 2.00843 0.00187 0.00200 0.00000 0.00506 2.01349 A20 2.14992 -0.00355 -0.00127 0.00000 -0.00831 2.14161 A21 1.98094 0.00152 0.00099 0.00000 0.00843 1.98937 A22 2.15199 0.00208 0.00044 0.00000 0.00014 2.15213 A23 2.04301 0.00458 0.00324 0.00000 0.00726 2.05027 A24 2.10973 -0.00271 -0.00028 0.00000 -0.00208 2.10765 A25 2.11802 -0.00178 0.00006 0.00000 -0.00306 2.11496 A26 2.18769 -0.00151 0.00103 0.00000 -0.01209 2.17561 A27 1.96218 0.00373 0.00081 0.00000 0.02754 1.98972 A28 2.13295 -0.00220 -0.00181 0.00000 -0.01625 2.11670 A29 2.02968 0.00481 -0.00192 0.00000 0.02259 2.05227 A30 2.12866 -0.00571 0.00072 0.00000 -0.00995 2.11870 A31 2.12435 0.00092 0.00132 0.00000 -0.01293 2.11142 A32 2.10415 0.00190 0.00244 0.00000 -0.00973 2.09443 A33 2.13456 -0.00463 -0.00053 0.00000 -0.00452 2.13004 A34 2.04443 0.00273 -0.00190 0.00000 0.01429 2.05872 A35 2.12065 -0.00173 0.00120 0.00000 -0.00881 2.11184 A36 2.10685 -0.00094 0.00213 0.00000 -0.01708 2.08978 A37 2.05556 0.00267 -0.00329 0.00000 0.02586 2.08143 A38 2.12000 -0.00024 -0.00024 0.00000 0.00320 2.12320 A39 2.07842 -0.00060 -0.00148 0.00000 -0.00694 2.07148 A40 2.08457 0.00084 0.00180 0.00000 0.00374 2.08832 A41 2.04113 0.00094 0.00012 0.00000 -0.00338 2.03776 A42 2.09469 0.00232 0.00419 0.00000 -0.00744 2.08725 A43 2.14733 -0.00326 -0.00429 0.00000 0.00767 2.15499 A44 2.12884 -0.00140 0.00025 0.00000 -0.00238 2.12646 A45 2.08774 0.00045 -0.00054 0.00000 0.00641 2.09415 A46 2.06637 0.00095 0.00035 0.00000 -0.00526 2.06111 A47 2.11105 -0.00030 0.00065 0.00000 -0.00414 2.10691 A48 2.09304 -0.00037 -0.00007 0.00000 -0.00053 2.09251 A49 2.07907 0.00067 -0.00057 0.00000 0.00468 2.08375 A50 1.98367 0.00664 0.00223 0.00000 0.08397 2.06764 A51 1.89671 -0.00295 0.00233 0.00000 -0.04689 1.84982 A52 1.91562 -0.00110 -0.00252 0.00000 0.00317 1.91879 A53 1.87796 -0.00076 0.00404 0.00000 -0.04828 1.82969 A54 1.93110 -0.00324 -0.00590 0.00000 0.00693 1.93803 A55 1.85350 0.00106 -0.00008 0.00000 -0.01169 1.84181 A56 1.99344 0.00684 -0.00233 0.00000 0.07318 2.06662 A57 1.88996 -0.00165 0.00379 0.00000 0.00743 1.89739 A58 1.90178 -0.00273 -0.00099 0.00000 -0.03855 1.86323 A59 1.89572 -0.00072 0.00177 0.00000 0.00103 1.89675 A60 1.91629 -0.00290 -0.00049 0.00000 -0.03526 1.88104 A61 1.86198 0.00083 -0.00167 0.00000 -0.01523 1.84674 A62 1.96852 0.00070 0.00078 0.00000 -0.00728 1.96125 A63 1.91341 0.00026 -0.00009 0.00000 0.01622 1.92963 A64 1.90948 -0.00022 -0.00061 0.00000 0.00004 1.90952 A65 1.90196 -0.00046 0.00128 0.00000 -0.01595 1.88602 A66 1.90739 -0.00044 0.00023 0.00000 -0.00289 1.90450 A67 1.85990 0.00013 -0.00173 0.00000 0.01062 1.87051 A68 1.91023 -0.00022 -0.00013 0.00000 -0.00092 1.90930 A69 1.90896 -0.00060 0.00001 0.00000 -0.00091 1.90806 A70 1.96722 0.00156 0.00089 0.00000 0.00098 1.96820 A71 1.85244 0.00041 -0.00031 0.00000 0.00341 1.85585 A72 1.91090 -0.00071 -0.00024 0.00000 -0.00105 1.90985 A73 1.91056 -0.00051 -0.00030 0.00000 -0.00136 1.90920 A74 1.94224 -0.00048 -0.00057 0.00000 -0.00056 1.94168 A75 1.94296 -0.00047 -0.00068 0.00000 -0.00085 1.94212 A76 1.93531 0.00126 0.00104 0.00000 0.00240 1.93771 A77 1.88012 0.00023 -0.00008 0.00000 0.00003 1.88015 A78 1.88037 -0.00027 0.00018 0.00000 -0.00070 1.87966 A79 1.88008 -0.00028 0.00013 0.00000 -0.00038 1.87970 D1 -3.13238 0.00087 0.00071 0.00000 0.00087 -3.13151 D2 1.07562 0.00061 -0.00029 0.00000 -0.00151 1.07410 D3 -1.01446 0.00052 -0.00065 0.00000 -0.00191 -1.01637 D4 -1.05119 -0.00093 -0.00106 0.00000 -0.00293 -1.05411 D5 -3.12637 -0.00119 -0.00206 0.00000 -0.00531 -3.13169 D6 1.06673 -0.00128 -0.00243 0.00000 -0.00571 1.06102 D7 0.98858 0.00065 -0.00015 0.00000 0.00823 0.99681 D8 -1.08661 0.00039 -0.00115 0.00000 0.00584 -1.08076 D9 3.10650 0.00030 -0.00152 0.00000 0.00545 3.11195 D10 -1.07587 0.00081 -0.00204 0.00000 0.00579 -1.07008 D11 3.07651 -0.00042 -0.00111 0.00000 0.00415 3.08066 D12 1.08692 -0.00029 -0.00266 0.00000 -0.00208 1.08484 D13 1.54481 0.00037 0.01679 0.00000 0.00920 1.55401 D14 -1.43024 -0.00009 -0.00688 0.00000 -0.00531 -1.43555 D15 -2.59884 -0.00019 0.01520 0.00000 0.00600 -2.59284 D16 0.70929 -0.00064 -0.00848 0.00000 -0.00852 0.70078 D17 -0.54915 0.00013 0.01715 0.00000 0.00533 -0.54382 D18 2.75898 -0.00032 -0.00652 0.00000 -0.00918 2.74980 D19 -3.11707 -0.00199 -0.00553 0.00000 -0.01986 -3.13693 D20 0.07694 -0.00244 -0.01245 0.00000 -0.01807 0.05886 D21 -0.05665 0.00204 0.01091 0.00000 0.00280 -0.05385 D22 3.13736 0.00160 0.00399 0.00000 0.00458 -3.14124 D23 3.05919 0.00405 0.01421 0.00000 0.03227 3.09146 D24 -0.04905 0.00341 0.00976 0.00000 0.04115 -0.00790 D25 0.00805 -0.00118 -0.00411 0.00000 0.00556 0.01361 D26 -3.10019 -0.00183 -0.00855 0.00000 0.01444 -3.08575 D27 -3.07528 0.00040 -0.00481 0.00000 0.00529 -3.06999 D28 0.09337 -0.00175 -0.01508 0.00000 -0.00933 0.08405 D29 0.01411 0.00081 0.00203 0.00000 0.00343 0.01754 D30 -3.10042 -0.00134 -0.00823 0.00000 -0.01118 -3.11161 D31 -3.05714 0.00031 -0.01109 0.00000 -0.00662 -3.06376 D32 -0.08294 0.00067 0.01268 0.00000 0.00807 -0.07487 D33 0.11155 -0.00175 -0.02136 0.00000 -0.02118 0.09036 D34 3.08575 -0.00138 0.00241 0.00000 -0.00650 3.07925 D35 3.01602 0.00078 0.01644 0.00000 0.01478 3.03080 D36 -0.15406 0.00153 0.01753 0.00000 -0.00811 -0.16217 D37 0.04818 -0.00030 -0.00847 0.00000 -0.00126 0.04691 D38 -3.12190 0.00045 -0.00739 0.00000 -0.02416 3.13713 D39 -0.00697 0.00047 0.00363 0.00000 -0.00635 -0.01332 D40 3.10136 0.00098 0.00805 0.00000 -0.01514 3.08622 D41 -3.11744 -0.00044 0.00240 0.00000 0.01745 -3.09999 D42 -0.00911 0.00007 0.00683 0.00000 0.00867 -0.00045 D43 2.54285 -0.00052 0.12060 0.00000 0.10729 2.65014 D44 -0.60953 -0.00073 0.12308 0.00000 0.11679 -0.49274 D45 -0.56359 -0.00126 0.11596 0.00000 0.11579 -0.44780 D46 2.56721 -0.00148 0.11844 0.00000 0.12530 2.69251 D47 3.11726 -0.00038 0.00621 0.00000 0.02007 3.13733 D48 -0.04147 -0.00044 0.01101 0.00000 0.05557 0.01409 D49 -0.01408 -0.00013 0.00385 0.00000 0.01105 -0.00303 D50 -3.17282 -0.00019 0.00865 0.00000 0.04655 -3.12626 D51 -3.11497 0.00008 -0.00628 0.00000 -0.02544 -3.14041 D52 0.01893 0.00039 -0.00488 0.00000 -0.01179 0.00714 D53 0.01618 -0.00013 -0.00386 0.00000 -0.01626 -0.00008 D54 -3.13310 0.00018 -0.00247 0.00000 -0.00261 -3.13571 D55 0.01573 0.00018 -0.00396 0.00000 0.01840 0.03413 D56 -3.14715 0.00023 0.00273 0.00000 0.01886 -3.12828 D57 -3.10921 0.00027 -0.00865 0.00000 -0.01653 -3.12573 D58 0.01110 0.00032 -0.00197 0.00000 -0.01606 -0.00496 D59 -0.01804 -0.00002 0.00374 0.00000 -0.04091 -0.05895 D60 -3.16878 0.00010 0.00613 0.00000 0.05096 -3.11782 D61 3.14491 -0.00005 -0.00295 0.00000 -0.04125 3.10366 D62 -0.00583 0.00006 -0.00056 0.00000 0.05062 0.04479 D63 0.02035 -0.00027 -0.00380 0.00000 0.03557 0.05592 D64 -3.09788 -0.00043 -0.00833 0.00000 0.07140 -3.02648 D65 3.17140 -0.00042 -0.00629 0.00000 -0.06013 3.11127 D66 0.05316 -0.00059 -0.01082 0.00000 -0.02429 0.02887 D67 -1.65675 0.00068 0.07215 0.00000 0.05248 -1.60427 D68 0.43360 0.00191 0.08040 0.00000 0.00899 0.44259 D69 2.45362 0.00091 0.08023 0.00000 -0.02853 2.42509 D70 1.47512 0.00083 0.07471 0.00000 0.15078 1.62589 D71 -2.71772 0.00206 0.08296 0.00000 0.10729 -2.61043 D72 -0.69771 0.00106 0.08278 0.00000 0.06977 -0.62794 D73 -0.02012 0.00036 0.00399 0.00000 -0.00747 -0.02760 D74 3.12910 0.00006 0.00260 0.00000 -0.02103 3.10807 D75 3.09838 0.00051 0.00846 0.00000 -0.04250 3.05588 D76 -0.03558 0.00021 0.00708 0.00000 -0.05607 -0.09164 D77 -1.20897 -0.00154 0.00123 0.00000 -0.13023 -1.33920 D78 0.90550 0.00085 0.00471 0.00000 -0.07033 0.83517 D79 2.92440 -0.00051 0.00424 0.00000 -0.10431 2.82010 D80 2.97326 -0.00145 -0.00599 0.00000 -0.08676 2.88650 D81 -1.19545 0.00094 -0.00252 0.00000 -0.02687 -1.22232 D82 0.82345 -0.00041 -0.00298 0.00000 -0.06084 0.76261 D83 0.95549 -0.00055 -0.00502 0.00000 -0.04978 0.90571 D84 3.06996 0.00184 -0.00155 0.00000 0.01012 3.08008 D85 -1.19432 0.00048 -0.00201 0.00000 -0.02385 -1.21818 D86 3.07441 0.00143 0.00952 0.00000 0.04283 3.11723 D87 0.95174 0.00136 0.00742 0.00000 0.05668 1.00842 D88 -1.08197 0.00118 0.00990 0.00000 0.03430 -1.04767 D89 0.96313 -0.00047 0.00493 0.00000 -0.02058 0.94255 D90 -1.15954 -0.00054 0.00283 0.00000 -0.00672 -1.16626 D91 3.08994 -0.00072 0.00531 0.00000 -0.02911 3.06083 D92 -1.06684 0.00054 0.00620 0.00000 0.01572 -1.05112 D93 3.09367 0.00048 0.00410 0.00000 0.02957 3.12325 D94 1.05997 0.00030 0.00658 0.00000 0.00719 1.06716 D95 1.00136 -0.00019 0.00120 0.00000 -0.00564 0.99572 D96 -1.02127 -0.00022 0.00164 0.00000 -0.00870 -1.02998 D97 3.13231 -0.00020 0.00141 0.00000 -0.00699 3.12532 D98 3.13049 0.00028 0.00252 0.00000 -0.00106 3.12943 D99 1.10786 0.00025 0.00296 0.00000 -0.00412 1.10374 D100 -1.02175 0.00028 0.00273 0.00000 -0.00240 -1.02415 D101 -1.12663 -0.00007 0.00129 0.00000 0.00120 -1.12543 D102 3.13392 -0.00010 0.00173 0.00000 -0.00186 3.13206 D103 1.00432 -0.00007 0.00150 0.00000 -0.00015 1.00417 D104 1.04456 -0.00029 -0.00009 0.00000 -0.00116 1.04340 D105 -1.05302 0.00006 0.00086 0.00000 -0.00025 -1.05327 D106 3.13730 -0.00011 0.00045 0.00000 -0.00081 3.13649 D107 -3.10806 -0.00002 0.00018 0.00000 -0.00243 -3.11049 D108 1.07754 0.00034 0.00113 0.00000 -0.00152 1.07603 D109 -1.01531 0.00017 0.00072 0.00000 -0.00208 -1.01739 D110 -1.08414 -0.00022 -0.00050 0.00000 0.00031 -1.08384 D111 3.10146 0.00014 0.00045 0.00000 0.00122 3.10267 D112 1.00860 -0.00003 0.00005 0.00000 0.00065 1.00925 Item Value Threshold Converged? Maximum Force 0.015119 0.000450 NO RMS Force 0.002753 0.000300 NO Maximum Displacement 0.641846 0.001800 NO RMS Displacement 0.166210 0.001200 NO Predicted change in Energy=-1.424180D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.119087 -4.659549 2.551949 2 6 0 7.234841 -3.539981 3.570606 3 8 0 6.856635 -5.889732 3.154562 4 8 0 3.057094 -3.422128 -0.864888 5 6 0 3.880231 -3.723719 -0.055434 6 7 0 5.218593 -3.446695 -0.306335 7 6 0 6.308615 -3.708110 0.472522 8 8 0 7.412664 -3.355500 0.178063 9 7 0 6.023233 -4.422730 1.610763 10 6 0 4.728538 -4.743334 1.943986 11 6 0 3.657690 -4.451858 1.199216 12 1 0 8.013210 -4.717455 1.954624 13 1 0 7.428081 -2.599067 3.072451 14 1 0 8.060292 -3.737765 4.247333 15 1 0 5.406532 -2.951289 -1.152726 16 1 0 4.638529 -5.305837 2.851936 17 6 0 2.307441 -4.896538 1.601928 18 1 0 6.325939 -3.457667 4.154929 19 1 0 7.564405 -6.119636 3.736738 20 6 0 2.158046 -6.010913 2.399827 21 6 0 0.900975 -6.443616 2.794196 22 6 0 -0.253466 -5.803110 2.373689 23 6 0 -0.087818 -4.657303 1.592747 24 6 0 1.155311 -4.220300 1.200796 25 1 0 3.029890 -6.546998 2.738193 26 1 0 0.828214 -7.311015 3.427603 27 6 0 -1.607154 -6.298566 2.860041 28 1 0 -0.940352 -4.060799 1.327439 29 1 0 1.235191 -3.352679 0.575300 30 6 0 -2.360467 -7.344636 2.004493 31 6 0 -3.073276 -6.871134 0.738486 32 1 0 -1.421118 -6.795546 3.806060 33 1 0 -2.248502 -5.452749 3.096682 34 1 0 -1.669401 -8.140048 1.737985 35 1 0 -3.104048 -7.802893 2.652531 36 6 0 -3.740944 -8.018280 -0.016036 37 1 0 -2.375667 -6.389801 0.067519 38 1 0 -3.827905 -6.130992 1.003168 39 1 0 -4.440110 -8.526642 0.644503 40 1 0 -2.989025 -8.754415 -0.290334 41 6 0 -4.474872 -7.552274 -1.270156 42 1 0 -3.796719 -7.067263 -1.965616 43 1 0 -5.260996 -6.843641 -1.026307 44 1 0 -4.933441 -8.388800 -1.786032 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518056 0.000000 3 O 1.394767 2.416084 0.000000 4 O 5.450300 6.094347 6.056530 0.000000 5 C 4.261973 4.943211 4.884124 1.193200 0.000000 6 N 3.640423 4.370884 4.541962 2.232636 1.389571 7 C 2.426132 3.237945 3.500449 3.527441 2.485162 8 O 2.724346 3.402205 3.948550 4.479194 3.559240 9 N 1.463834 2.467433 2.286912 3.990994 2.803085 10 C 2.468069 3.221103 2.703427 3.525490 2.399358 11 C 3.722135 4.387598 4.015483 2.383607 1.467603 12 H 1.076850 2.145624 2.037585 5.847273 4.702059 13 H 2.147554 1.082044 3.340923 5.940168 4.861661 14 H 2.147063 1.085563 2.697017 7.160057 5.998909 15 H 4.424434 5.098935 5.412022 2.413379 2.032312 16 H 2.580862 3.221113 2.313549 4.456913 3.395720 17 C 4.910259 5.476788 4.908387 2.970024 2.568272 18 H 2.154797 1.083657 2.682781 5.990423 4.876416 19 H 1.932327 2.605923 0.944840 6.983363 5.804664 20 C 5.144051 5.766288 4.760362 4.262448 3.771669 21 C 6.473523 7.010832 5.992206 5.212210 4.939048 22 C 7.462845 7.913856 7.153377 5.207424 5.226085 23 C 7.270458 7.666921 7.223820 4.178050 4.396987 24 C 6.130676 6.560451 6.253743 2.919060 3.041365 25 H 4.507626 5.236094 3.905040 4.769460 4.061815 26 H 6.882742 7.435457 6.199714 6.206193 5.857906 27 C 8.884177 9.289541 8.478774 6.626025 6.726161 28 H 8.173890 8.493340 8.214400 4.603669 5.026329 29 H 6.343129 6.708408 6.685047 2.323423 2.744400 30 C 9.867693 10.440213 9.401828 7.278007 7.503376 31 C 10.586029 11.197087 10.266630 7.214422 7.673838 32 H 8.892153 9.250934 8.352612 7.297403 7.242345 33 H 9.416880 9.685922 9.115800 6.925808 7.105403 34 H 9.487568 10.188456 8.931064 7.167530 7.315650 35 H 10.695945 11.220870 10.155167 8.338046 8.529531 36 C 11.654007 12.384951 11.264638 8.249757 8.747978 37 H 9.965767 10.618613 9.747579 6.260300 6.801424 38 H 11.153497 11.648580 10.901655 7.630910 8.144382 39 H 12.337252 13.028175 11.868872 9.194694 9.632552 40 H 11.270334 12.108865 10.817149 8.082014 8.517614 41 C 12.545765 13.290931 12.277834 8.599585 9.270444 42 H 12.056546 12.836931 11.878415 7.840496 8.588576 43 H 13.070601 13.718298 12.854049 8.995745 9.707653 44 H 13.341245 14.151738 13.025386 9.453306 10.121204 6 7 8 9 10 6 N 0.000000 7 C 1.364955 0.000000 8 O 2.248757 1.195811 0.000000 9 N 2.296814 1.373943 2.263212 0.000000 10 C 2.642986 2.394481 3.499872 1.374794 0.000000 11 C 2.390284 2.847569 4.042844 2.401252 1.336546 12 H 3.812696 2.474076 2.317703 2.040861 3.284791 13 H 4.125107 3.040199 2.991640 2.726881 3.627513 14 H 5.375487 4.161544 4.138176 3.401512 4.173387 15 H 0.998562 2.006978 2.441097 3.190977 3.641528 16 H 3.710466 3.317157 4.318476 2.058590 1.071860 17 C 3.770718 4.324039 5.519555 3.745888 2.449935 18 H 4.596652 3.690955 4.123939 2.737838 3.015444 19 H 5.384597 4.248244 4.508618 3.126415 3.626335 20 C 4.823430 5.122952 6.292731 4.252601 2.902064 21 C 6.102185 6.489664 7.666988 5.632231 4.273646 22 C 6.532891 7.145934 8.341530 6.471821 5.111569 23 C 5.764554 6.562791 7.742949 6.115578 4.829913 24 C 4.402292 5.229653 6.399089 4.889348 3.686984 25 H 4.865332 4.893117 5.995719 3.839755 2.601802 26 H 6.939071 7.193625 8.340300 6.215410 4.899657 27 C 8.046735 8.664302 9.859603 7.956272 6.587784 28 H 6.401480 7.307721 8.461169 6.978738 5.743021 29 H 4.080884 5.086898 6.190233 5.014234 4.001337 30 C 8.830404 9.524928 10.712756 8.887012 7.551452 31 C 9.031807 9.904309 11.073784 9.460551 8.176127 32 H 8.497786 8.966243 10.150467 8.115907 6.745158 33 H 8.447620 9.118894 10.308003 8.467024 7.107113 34 H 8.582032 9.213697 10.383119 8.544663 7.246635 35 H 9.848742 10.493709 11.683473 9.788669 8.438741 36 C 10.062652 10.945770 12.090582 10.531553 9.289729 37 H 8.153185 9.097926 10.248445 8.763132 7.530053 38 H 9.526772 10.435563 11.607521 10.016599 8.719143 39 H 10.954474 11.780616 12.940113 11.280837 10.003308 40 H 9.774310 10.606283 11.728717 10.178332 8.980074 41 C 10.571093 11.580074 12.689514 11.327133 10.145127 42 H 9.855840 10.924569 12.000951 10.780329 9.662589 43 H 11.039900 12.080312 13.199973 11.838444 10.631308 44 H 11.387612 12.385223 13.476576 12.137406 10.979813 11 12 13 14 15 11 C 0.000000 12 H 4.428514 0.000000 13 H 4.599749 2.465660 0.000000 14 H 5.402208 2.493697 1.754044 0.000000 15 H 3.292687 4.423770 4.697110 6.068082 0.000000 16 H 2.103047 3.541163 3.893177 4.014280 4.708614 17 C 1.477528 5.719464 5.801876 6.437097 4.580008 18 H 4.104169 3.045536 1.767391 1.759254 5.410446 19 H 4.948022 2.311594 3.585285 2.485945 6.213027 20 C 2.474076 6.012835 6.313984 6.589157 5.703911 21 C 3.756400 7.366709 7.580310 7.790318 6.933584 22 C 4.301443 8.348186 8.352265 8.768967 7.252866 23 C 3.771725 8.109330 7.931873 8.618821 6.374637 24 C 2.513071 6.917095 6.743823 7.562605 5.022185 25 H 2.674360 5.366069 5.919627 5.956026 5.806618 26 H 4.598525 7.779486 8.117071 8.108208 7.806897 27 C 5.821277 9.791379 9.765598 10.096623 8.746335 28 H 4.616422 8.999491 8.672508 9.467931 6.903996 29 H 2.732392 7.050297 6.719791 7.759776 4.532910 30 C 6.725686 10.701297 10.930537 11.253092 9.465506 31 C 7.167362 11.359027 11.574820 12.086618 9.531475 32 H 6.171127 9.836302 9.821250 9.972055 9.272793 33 H 6.283730 10.351217 10.088625 10.513629 9.105730 34 H 6.501609 10.272003 10.735337 10.970135 9.238413 35 H 7.685224 11.558566 11.755079 11.987959 10.509426 36 C 8.302770 12.366854 12.792722 13.257763 10.518687 37 H 6.437217 10.690495 10.932189 11.550471 8.595056 38 H 7.674116 11.963083 11.977214 12.553142 10.001661 39 H 9.082177 13.088602 13.486476 13.862675 11.457354 40 H 8.056648 11.932563 12.558373 12.955485 10.242332 41 C 9.047041 13.205590 13.604146 14.217014 10.900688 42 H 8.510272 12.663503 13.089807 13.794020 10.114439 43 H 9.498239 13.769937 13.993888 14.659961 11.356167 44 H 9.910537 13.967357 14.489068 15.062228 11.699686 16 17 18 19 20 16 H 0.000000 17 C 2.676568 0.000000 18 H 2.821502 4.973579 0.000000 19 H 3.163209 5.804227 2.965596 0.000000 20 C 2.618078 1.378693 5.193340 5.570266 0.000000 21 C 3.907325 2.406886 6.340168 6.737555 1.386718 22 C 4.940407 2.824135 7.208502 7.942116 2.420591 23 C 4.934016 2.407195 7.010006 8.080324 2.743637 24 C 4.004680 1.394851 6.003658 7.149473 2.376857 25 H 2.034979 2.130035 4.734454 4.662784 1.077956 26 H 4.344035 3.369111 6.752946 6.847716 2.124863 27 C 6.324092 4.344260 8.525340 9.215102 3.804113 28 H 5.915921 3.364813 7.820323 9.076035 3.814844 29 H 4.536585 2.141771 6.224185 7.596689 3.353620 30 C 7.338993 5.286267 9.756360 10.149108 4.727797 31 C 8.147930 5.796264 10.567359 11.077658 5.555786 32 H 6.312599 4.729333 8.442751 9.011175 3.924736 33 H 6.892944 4.827036 8.866864 9.856345 4.496089 34 H 7.004543 5.133629 9.575582 9.661276 4.429515 35 H 8.137724 6.231764 10.491084 10.854711 5.564592 36 C 9.262730 6.996145 11.812632 12.062299 6.683113 37 H 7.624100 5.149344 10.050984 10.599112 5.112511 38 H 8.705132 6.286880 10.962701 11.715684 6.147901 39 H 9.882713 7.721642 12.406668 12.627904 7.276380 40 H 8.941260 6.820295 11.601054 11.598890 6.423091 41 C 10.251449 7.829532 12.761461 13.117379 7.735643 42 H 9.872428 7.395958 12.367638 12.747155 7.458699 43 H 10.742728 8.245003 13.136479 13.700426 8.214256 44 H 11.074205 8.723792 13.652279 13.850857 8.571169 21 22 23 24 25 21 C 0.000000 22 C 1.385572 0.000000 23 C 2.368988 1.396489 0.000000 24 C 2.747133 2.421903 1.374760 0.000000 25 H 2.132159 3.386246 3.821400 3.360232 0.000000 26 H 1.076514 2.134139 3.353804 3.823373 2.430306 27 C 2.513183 1.521344 2.570635 3.834513 4.645293 28 H 3.349579 2.145250 1.073787 2.105535 4.892263 29 H 3.819566 3.384511 2.118394 1.072564 4.254730 30 C 3.474546 2.636676 3.543477 4.771592 5.498226 31 C 4.494817 3.430144 3.813629 5.012144 6.430592 32 H 2.557311 2.097624 3.353882 4.478535 4.584058 33 H 3.315497 2.150730 2.750111 4.086472 5.402528 34 H 3.255809 2.805400 3.827795 4.861274 5.061774 35 H 4.231774 3.493237 4.485033 5.751925 6.261773 36 C 5.650166 4.772867 5.218206 6.314953 7.456181 37 H 4.263102 3.188472 3.249942 4.296376 6.031356 38 H 5.066342 3.842193 4.062956 5.340621 7.086093 39 H 6.122692 5.285422 5.900288 7.082568 8.006461 40 H 5.475967 4.826023 5.361839 6.321169 7.090275 41 C 6.829920 5.844437 5.985258 6.993326 8.567315 42 H 6.716626 5.743020 5.676777 6.531000 8.306568 43 H 7.261277 6.141500 6.196877 7.280858 9.110337 44 H 7.668287 6.774306 6.987151 7.960554 9.342134 26 27 28 29 30 26 H 0.000000 27 C 2.697814 0.000000 28 H 4.254694 2.793045 0.000000 29 H 4.895885 4.687987 2.408346 0.000000 30 C 3.492000 1.547161 3.641252 5.559412 0.000000 31 C 4.758830 2.641655 3.576900 5.564983 1.528094 32 H 2.338468 1.084689 3.722035 5.417298 2.104643 33 H 3.609548 1.087534 2.603652 4.785789 2.187384 34 H 3.127329 2.157299 4.164173 5.719038 1.086867 35 H 4.037990 2.132311 4.521142 6.553494 1.087596 36 C 5.765074 3.972693 5.030894 6.846855 2.538119 37 H 4.733250 2.897777 3.011939 4.745550 2.159585 38 H 5.380500 2.899620 3.567747 5.791117 2.151500 39 H 6.081005 4.230670 5.714758 7.680086 2.751658 40 H 5.520668 4.226775 5.370687 6.911734 2.765645 41 C 7.088714 5.182096 5.606312 7.324420 3.903478 42 H 7.108884 5.354629 5.295458 6.750889 4.231018 43 H 7.558719 5.362030 5.652636 7.546681 4.224903 44 H 7.844761 6.084345 6.661085 8.306047 4.698781 31 32 33 34 35 31 C 0.000000 32 H 3.485017 0.000000 33 H 2.872831 1.729417 0.000000 34 H 2.140094 2.479165 3.066429 0.000000 35 H 2.129011 2.275441 2.540158 1.734439 0.000000 36 C 1.526770 4.635201 4.300970 2.717114 2.751959 37 H 1.080989 3.879752 3.173336 2.520443 3.034741 38 H 1.089648 3.753726 2.708751 3.038980 2.457564 39 H 2.148900 4.701749 4.501682 3.003662 2.518144 40 H 2.147630 4.803742 4.787614 2.496584 3.095009 41 C 2.542256 5.972103 5.332355 4.155124 4.162865 42 H 2.806066 6.247363 5.534482 4.403749 4.727391 43 H 2.810938 6.172418 5.292328 4.713972 4.371091 44 H 3.483779 6.793111 6.298427 4.809836 4.836404 36 37 38 39 40 36 C 0.000000 37 H 2.126713 0.000000 38 H 2.146670 1.746830 0.000000 39 H 1.087923 3.026702 2.498514 0.000000 40 H 1.087436 2.468940 3.042895 1.741105 0.000000 41 C 1.525985 2.747250 2.758008 2.148609 2.147774 42 H 2.169886 2.571378 3.113078 3.058833 2.511059 43 H 2.170480 3.118902 2.584644 2.509572 3.058523 44 H 2.166153 3.738162 3.754935 2.483923 2.480229 41 42 43 44 41 C 0.000000 42 H 1.085721 0.000000 43 H 1.086100 1.753971 0.000000 44 H 1.084522 1.752383 1.752710 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.834204 -1.053360 0.533857 2 6 0 -5.374972 -1.523114 -0.804574 3 8 0 -4.273223 -2.098774 1.267196 4 8 0 -1.027157 2.729655 -0.415328 5 6 0 -1.794397 1.835554 -0.226508 6 7 0 -3.124553 2.124461 0.053002 7 6 0 -4.154355 1.264068 0.302672 8 8 0 -5.280577 1.633203 0.461818 9 7 0 -3.776260 -0.055156 0.369072 10 6 0 -2.482245 -0.438712 0.107407 11 6 0 -1.482849 0.402293 -0.175921 12 1 0 -5.609751 -0.569550 1.103120 13 1 0 -5.793427 -0.689331 -1.352770 14 1 0 -6.163033 -2.253693 -0.650751 15 1 0 -3.371884 3.091559 0.027029 16 1 0 -2.313585 -1.493444 0.196726 17 6 0 -0.105457 -0.093461 -0.376190 18 1 0 -4.591481 -1.984430 -1.394185 19 1 0 -4.931054 -2.751836 1.450202 20 6 0 0.295168 -1.273349 0.213859 21 6 0 1.581286 -1.760309 0.035653 22 6 0 2.525102 -1.067038 -0.704885 23 6 0 2.098041 0.109734 -1.323762 24 6 0 0.823647 0.596826 -1.154572 25 1 0 -0.403880 -1.837445 0.809776 26 1 0 1.850638 -2.691683 0.503492 27 6 0 3.913112 -1.659720 -0.896312 28 1 0 2.753805 0.631496 -1.995146 29 1 0 0.546726 1.520807 -1.623580 30 6 0 5.021915 -1.282488 0.114607 31 6 0 5.675783 0.093591 -0.003434 32 1 0 3.796476 -2.733142 -0.792820 33 1 0 4.246584 -1.500366 -1.919119 34 1 0 4.628946 -1.395862 1.121583 35 1 0 5.804318 -2.031449 0.015777 36 6 0 6.724049 0.333746 1.080305 37 1 0 4.932273 0.874784 0.070493 38 1 0 6.145826 0.188375 -0.981906 39 1 0 7.478110 -0.449046 1.033356 40 1 0 6.256283 0.249476 2.058369 41 6 0 7.399099 1.696764 0.957341 42 1 0 6.675260 2.502544 1.031939 43 1 0 7.910436 1.798770 0.004585 44 1 0 8.133415 1.839503 1.742576 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6360998 0.0998909 0.0912711 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1725.3975414683 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.79D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999840 -0.015860 -0.005167 0.006506 Ang= -2.05 deg. B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999900 -0.013917 -0.000389 -0.002375 Ang= -1.62 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) = -990.109102099 A.U. after 13 cycles NFock= 13 Conv=0.62D-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 0.001038425 -0.001417327 -0.002117489 2 6 0.000651788 0.000142070 0.000790190 3 8 -0.004913417 -0.000985587 -0.001369888 4 8 -0.001827378 0.004882746 -0.001643383 5 6 0.007140768 -0.009301832 -0.002020356 6 7 -0.001957925 0.004420620 -0.000779149 7 6 -0.003445989 -0.005352347 0.001141203 8 8 0.003561389 0.002627087 -0.001188913 9 7 0.002378883 0.003638666 0.002429134 10 6 0.002691901 -0.001758190 -0.000102747 11 6 0.001371734 0.002863868 0.002128792 12 1 0.000480464 0.000794846 -0.000489716 13 1 0.000060253 0.000782523 -0.000171530 14 1 0.000396505 0.000197997 0.000516291 15 1 0.000374968 -0.000109005 0.000098706 16 1 0.002016728 0.004634231 -0.001113076 17 6 -0.002687494 0.004048404 -0.007582064 18 1 -0.000622712 0.000109163 0.000296433 19 1 0.002361396 -0.000062661 0.001571590 20 6 -0.003568840 -0.007380866 0.007917238 21 6 0.003333047 -0.005202197 -0.002543013 22 6 -0.002358057 0.004769294 0.001029567 23 6 -0.007468586 -0.003538022 0.004956102 24 6 0.004256407 0.003198909 -0.001752655 25 1 -0.004718273 -0.002428349 -0.001714326 26 1 -0.000235488 -0.000191744 0.000004884 27 6 0.001116009 -0.003041741 0.002940061 28 1 -0.003302647 -0.002085133 -0.003210569 29 1 -0.000362581 -0.000873961 0.002101303 30 6 0.001932697 -0.000055741 -0.000507814 31 6 0.000401883 0.002384596 0.002551240 32 1 -0.000822838 0.001754691 0.002699314 33 1 -0.001193107 -0.000380561 -0.003900353 34 1 0.001722982 0.000063618 0.000732832 35 1 -0.000150998 -0.000040715 0.000542088 36 6 -0.001390510 -0.001006008 0.000981485 37 1 0.003749022 0.004178010 -0.001071250 38 1 0.001095690 0.000713878 -0.000574157 39 1 -0.000338532 -0.000461769 -0.000160301 40 1 0.000197584 -0.000144426 -0.000042002 41 6 -0.000652742 -0.000387719 -0.000684790 42 1 0.000298870 0.000252919 -0.000103132 43 1 -0.000051685 0.000218536 0.000138748 44 1 -0.000559595 -0.000470770 -0.000724527 ------------------------------------------------------------------- Cartesian Forces: Max 0.009301832 RMS 0.002698519 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.014475728 RMS 0.002732640 Search for a local minimum. Step number 13 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 9 13 10 ITU= 0 -1 -1 1 -1 1 1 1 1 0 1 1 0 Use linear search instead of GDIIS. Energy rises -- skip Quadratic/GDIIS search. Quartic linear search produced a step of -0.82586. Iteration 1 RMS(Cart)= 0.22151557 RMS(Int)= 0.00696281 Iteration 2 RMS(Cart)= 0.02792709 RMS(Int)= 0.00010884 Iteration 3 RMS(Cart)= 0.00017607 RMS(Int)= 0.00006971 Iteration 4 RMS(Cart)= 0.00000004 RMS(Int)= 0.00006971 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86871 0.00191 0.00134 0.00000 0.00134 2.87005 R2 2.63573 0.00149 0.00225 0.00000 0.00225 2.63797 R3 2.76625 -0.00097 -0.00404 0.00000 -0.00404 2.76221 R4 2.03495 0.00063 -0.00047 0.00000 -0.00047 2.03448 R5 2.04477 0.00077 -0.00006 0.00000 -0.00006 2.04470 R6 2.05142 0.00059 -0.00061 0.00000 -0.00061 2.05080 R7 2.04781 0.00069 -0.00019 0.00000 -0.00019 2.04763 R8 1.78549 0.00275 -0.00302 0.00000 -0.00302 1.78247 R9 2.25482 0.00361 0.00281 0.00000 0.00281 2.25763 R10 2.62591 -0.00055 -0.00454 0.00000 -0.00453 2.62137 R11 2.77337 0.00401 0.00640 0.00000 0.00640 2.77977 R12 2.57939 0.00013 -0.00483 0.00000 -0.00482 2.57457 R13 1.88701 -0.00007 -0.00023 0.00000 -0.00023 1.88678 R14 2.25976 0.00436 0.00049 0.00000 0.00049 2.26024 R15 2.59638 -0.00111 -0.00845 0.00000 -0.00845 2.58793 R16 2.59798 0.00163 -0.00151 0.00000 -0.00152 2.59647 R17 2.52571 0.00455 0.00727 0.00000 0.00727 2.53297 R18 2.02552 -0.00354 -0.00809 0.00000 -0.00809 2.01744 R19 2.79212 0.01313 0.02613 0.00000 0.02613 2.81825 R20 2.60535 0.01448 0.02135 0.00000 0.02136 2.62671 R21 2.63589 0.00254 -0.00308 0.00000 -0.00307 2.63281 R22 2.62052 -0.00096 -0.01052 0.00000 -0.01052 2.61000 R23 2.03704 -0.00315 -0.00591 0.00000 -0.00591 2.03114 R24 2.61835 0.00128 0.00121 0.00000 0.00120 2.61955 R25 2.03432 0.00017 0.00145 0.00000 0.00145 2.03577 R26 2.63898 -0.00446 -0.01552 0.00000 -0.01554 2.62344 R27 2.87492 -0.00503 -0.01233 0.00000 -0.01233 2.86260 R28 2.59792 0.00689 0.00927 0.00000 0.00926 2.60718 R29 2.02916 0.00226 0.00337 0.00000 0.00337 2.03254 R30 2.02685 -0.00196 -0.00599 0.00000 -0.00599 2.02086 R31 2.92371 -0.00719 -0.01861 0.00000 -0.01861 2.90510 R32 2.04976 0.00141 0.00080 0.00000 0.00080 2.05056 R33 2.05514 -0.00044 -0.00240 0.00000 -0.00240 2.05274 R34 2.88768 0.00009 -0.00283 0.00000 -0.00283 2.88485 R35 2.05388 0.00087 0.00071 0.00000 0.00071 2.05459 R36 2.05526 0.00044 -0.00004 0.00000 -0.00004 2.05522 R37 2.88518 0.00289 0.00076 0.00000 0.00076 2.88593 R38 2.04277 0.00494 0.00937 0.00000 0.00937 2.05214 R39 2.05914 -0.00041 -0.00118 0.00000 -0.00118 2.05796 R40 2.05588 0.00034 -0.00045 0.00000 -0.00045 2.05542 R41 2.05496 0.00024 -0.00027 0.00000 -0.00027 2.05468 R42 2.88369 0.00147 0.00116 0.00000 0.00116 2.88486 R43 2.05172 0.00037 -0.00046 0.00000 -0.00046 2.05126 R44 2.05243 0.00021 -0.00062 0.00000 -0.00062 2.05181 R45 2.04945 0.00094 -0.00029 0.00000 -0.00029 2.04916 A1 1.95509 0.00016 0.00084 0.00000 0.00084 1.95593 A2 1.94896 0.00117 -0.00365 0.00000 -0.00365 1.94531 A3 1.92683 -0.00062 0.00098 0.00000 0.00099 1.92782 A4 1.85419 -0.00178 0.00157 0.00000 0.00157 1.85576 A5 1.92673 0.00096 0.00481 0.00000 0.00481 1.93155 A6 1.84797 0.00010 -0.00482 0.00000 -0.00482 1.84315 A7 1.92410 0.00022 -0.00017 0.00000 -0.00017 1.92393 A8 1.91976 0.00049 -0.00091 0.00000 -0.00091 1.91884 A9 1.93253 -0.00017 0.00026 0.00000 0.00026 1.93279 A10 1.88560 -0.00027 0.00035 0.00000 0.00035 1.88595 A11 1.90920 -0.00015 -0.00010 0.00000 -0.00010 1.90910 A12 1.89174 -0.00013 0.00058 0.00000 0.00058 1.89233 A13 1.91758 -0.00123 -0.00066 0.00000 -0.00066 1.91692 A14 2.08467 -0.00334 -0.02012 0.00000 -0.02011 2.06456 A15 2.21524 0.00029 0.01037 0.00000 0.01037 2.22561 A16 1.98157 0.00322 0.01024 0.00000 0.01025 1.99182 A17 2.24970 -0.00000 0.00371 0.00000 0.00372 2.25342 A18 2.01886 0.00039 -0.00251 0.00000 -0.00251 2.01636 A19 2.01349 -0.00038 -0.00072 0.00000 -0.00072 2.01277 A20 2.14161 -0.00092 0.00466 0.00000 0.00466 2.14627 A21 1.98937 -0.00003 -0.00526 0.00000 -0.00525 1.98413 A22 2.15213 0.00097 0.00064 0.00000 0.00064 2.15277 A23 2.05027 0.00140 -0.00038 0.00000 -0.00036 2.04991 A24 2.10765 -0.00158 0.00123 0.00000 0.00126 2.10891 A25 2.11496 0.00024 0.00263 0.00000 0.00265 2.11761 A26 2.17561 0.00244 0.01177 0.00000 0.01176 2.18737 A27 1.98972 -0.00325 -0.02134 0.00000 -0.02132 1.96840 A28 2.11670 0.00089 0.01028 0.00000 0.01030 2.12700 A29 2.05227 -0.00579 -0.02198 0.00000 -0.02199 2.03028 A30 2.11870 -0.00089 0.00947 0.00000 0.00948 2.12818 A31 2.11142 0.00671 0.01295 0.00000 0.01296 2.12439 A32 2.09443 0.00768 0.01226 0.00000 0.01225 2.10668 A33 2.13004 -0.00245 0.00282 0.00000 0.00281 2.13285 A34 2.05872 -0.00523 -0.01509 0.00000 -0.01508 2.04364 A35 2.11184 0.00172 0.00936 0.00000 0.00938 2.12122 A36 2.08978 0.00270 0.01779 0.00000 0.01780 2.10757 A37 2.08143 -0.00440 -0.02705 0.00000 -0.02704 2.05439 A38 2.12320 -0.00093 -0.00305 0.00000 -0.00307 2.12014 A39 2.07148 0.00070 0.00317 0.00000 0.00318 2.07466 A40 2.08832 0.00024 0.00002 0.00000 0.00003 2.08835 A41 2.03776 0.00314 0.00299 0.00000 0.00312 2.04087 A42 2.08725 0.00476 0.01339 0.00000 0.01358 2.10083 A43 2.15499 -0.00772 -0.01376 0.00000 -0.01357 2.14142 A44 2.12646 0.00012 0.00241 0.00000 0.00241 2.12887 A45 2.09415 -0.00184 -0.00622 0.00000 -0.00616 2.08799 A46 2.06111 0.00180 0.00495 0.00000 0.00502 2.06613 A47 2.10691 0.00125 0.00454 0.00000 0.00453 2.11144 A48 2.09251 -0.00034 0.00032 0.00000 0.00033 2.09284 A49 2.08375 -0.00090 -0.00485 0.00000 -0.00485 2.07890 A50 2.06764 -0.01372 -0.06549 0.00000 -0.06529 2.00235 A51 1.84982 0.00494 0.04276 0.00000 0.04252 1.89235 A52 1.91879 0.00453 -0.00698 0.00000 -0.00644 1.91235 A53 1.82969 0.00594 0.04686 0.00000 0.04663 1.87632 A54 1.93803 0.00126 -0.01593 0.00000 -0.01549 1.92254 A55 1.84181 -0.00147 0.00952 0.00000 0.00950 1.85131 A56 2.06662 -0.01243 -0.06447 0.00000 -0.06442 2.00220 A57 1.89739 0.00275 0.00043 0.00000 0.00065 1.89804 A58 1.86323 0.00352 0.03012 0.00000 0.03000 1.89323 A59 1.89675 0.00431 0.00221 0.00000 0.00244 1.89919 A60 1.88104 0.00432 0.02827 0.00000 0.02815 1.90919 A61 1.84674 -0.00157 0.00968 0.00000 0.00974 1.85649 A62 1.96125 0.00014 0.00735 0.00000 0.00735 1.96860 A63 1.92963 -0.00153 -0.01355 0.00000 -0.01353 1.91610 A64 1.90952 0.00021 -0.00108 0.00000 -0.00107 1.90845 A65 1.88602 0.00202 0.01538 0.00000 0.01537 1.90138 A66 1.90450 -0.00013 0.00278 0.00000 0.00278 1.90728 A67 1.87051 -0.00072 -0.01175 0.00000 -0.01174 1.85878 A68 1.90930 0.00017 0.00054 0.00000 0.00054 1.90984 A69 1.90806 -0.00034 0.00077 0.00000 0.00077 1.90883 A70 1.96820 0.00073 0.00073 0.00000 0.00073 1.96893 A71 1.85585 0.00006 -0.00335 0.00000 -0.00335 1.85249 A72 1.90985 -0.00048 0.00046 0.00000 0.00046 1.91031 A73 1.90920 -0.00017 0.00060 0.00000 0.00060 1.90980 A74 1.94168 -0.00027 -0.00053 0.00000 -0.00053 1.94116 A75 1.94212 -0.00025 -0.00047 0.00000 -0.00047 1.94165 A76 1.93771 0.00070 -0.00018 0.00000 -0.00018 1.93753 A77 1.88015 0.00007 -0.00017 0.00000 -0.00017 1.87999 A78 1.87966 -0.00012 0.00089 0.00000 0.00089 1.88055 A79 1.87970 -0.00014 0.00053 0.00000 0.00053 1.88023 D1 -3.13151 0.00084 0.00051 0.00000 0.00051 -3.13100 D2 1.07410 0.00074 0.00075 0.00000 0.00075 1.07486 D3 -1.01637 0.00069 0.00045 0.00000 0.00045 -1.01592 D4 -1.05411 -0.00052 0.00058 0.00000 0.00058 -1.05353 D5 -3.13169 -0.00063 0.00082 0.00000 0.00082 -3.13086 D6 1.06102 -0.00067 0.00052 0.00000 0.00052 1.06154 D7 0.99681 -0.00006 -0.00706 0.00000 -0.00706 0.98975 D8 -1.08076 -0.00017 -0.00681 0.00000 -0.00681 -1.08758 D9 3.11195 -0.00021 -0.00712 0.00000 -0.00712 3.10483 D10 -1.07008 0.00014 -0.00831 0.00000 -0.00831 -1.07839 D11 3.08066 -0.00022 -0.00534 0.00000 -0.00534 3.07532 D12 1.08484 0.00016 -0.00288 0.00000 -0.00288 1.08196 D13 1.55401 0.00022 0.02146 0.00000 0.02146 1.57547 D14 -1.43555 -0.00026 -0.00752 0.00000 -0.00752 -1.44308 D15 -2.59284 -0.00005 0.02134 0.00000 0.02134 -2.57151 D16 0.70078 -0.00053 -0.00764 0.00000 -0.00764 0.69314 D17 -0.54382 0.00026 0.02528 0.00000 0.02528 -0.51854 D18 2.74980 -0.00022 -0.00370 0.00000 -0.00370 2.74610 D19 -3.13693 -0.00167 0.00682 0.00000 0.00679 -3.13014 D20 0.05886 -0.00186 -0.00662 0.00000 -0.00664 0.05222 D21 -0.05385 0.00121 0.01657 0.00000 0.01654 -0.03731 D22 -3.14124 0.00102 0.00313 0.00000 0.00311 -3.13813 D23 3.09146 0.00233 -0.00206 0.00000 -0.00209 3.08937 D24 -0.00790 0.00132 -0.01709 0.00000 -0.01712 -0.02502 D25 0.01361 -0.00067 -0.01171 0.00000 -0.01170 0.00191 D26 -3.08575 -0.00168 -0.02673 0.00000 -0.02673 -3.11248 D27 -3.06999 0.00014 -0.01269 0.00000 -0.01269 -3.08268 D28 0.08405 -0.00125 -0.01839 0.00000 -0.01840 0.06564 D29 0.01754 0.00035 0.00068 0.00000 0.00067 0.01821 D30 -3.11161 -0.00104 -0.00501 0.00000 -0.00505 -3.11665 D31 -3.06376 0.00038 -0.01373 0.00000 -0.01370 -3.07746 D32 -0.07487 0.00070 0.01528 0.00000 0.01531 -0.05957 D33 0.09036 -0.00101 -0.01948 0.00000 -0.01947 0.07089 D34 3.07925 -0.00069 0.00954 0.00000 0.00953 3.08879 D35 3.03080 0.00030 0.01624 0.00000 0.01625 3.04705 D36 -0.16217 0.00209 0.03703 0.00000 0.03706 -0.12511 D37 0.04691 -0.00029 -0.01362 0.00000 -0.01360 0.03332 D38 3.13713 0.00150 0.00717 0.00000 0.00721 -3.13884 D39 -0.01332 0.00032 0.01153 0.00000 0.01152 -0.00180 D40 3.08622 0.00113 0.02644 0.00000 0.02643 3.11265 D41 -3.09999 -0.00149 -0.01025 0.00000 -0.01021 -3.11021 D42 -0.00045 -0.00068 0.00466 0.00000 0.00469 0.00425 D43 2.65014 -0.00240 0.12007 0.00000 0.12004 2.77018 D44 -0.49274 -0.00271 0.11652 0.00000 0.11649 -0.37625 D45 -0.44780 -0.00313 0.10502 0.00000 0.10505 -0.34275 D46 2.69251 -0.00344 0.10146 0.00000 0.10149 2.79400 D47 3.13733 -0.00072 -0.00583 0.00000 -0.00586 3.13147 D48 0.01409 -0.00201 -0.02683 0.00000 -0.02679 -0.01269 D49 -0.00303 -0.00043 -0.00247 0.00000 -0.00250 -0.00553 D50 -3.12626 -0.00171 -0.02347 0.00000 -0.02342 3.13350 D51 -3.14041 0.00072 0.01015 0.00000 0.01015 -3.13026 D52 0.00714 0.00053 0.00129 0.00000 0.00131 0.00845 D53 -0.00008 0.00042 0.00674 0.00000 0.00673 0.00666 D54 -3.13571 0.00024 -0.00211 0.00000 -0.00211 -3.13782 D55 0.03413 -0.00060 -0.02205 0.00000 -0.02204 0.01209 D56 -3.12828 -0.00048 -0.01086 0.00000 -0.01084 -3.13912 D57 -3.12573 0.00076 -0.00132 0.00000 -0.00128 -3.12701 D58 -0.00496 0.00087 0.00987 0.00000 0.00992 0.00496 D59 -0.05895 0.00135 0.04026 0.00000 0.04025 -0.01870 D60 -3.11782 -0.00050 -0.03148 0.00000 -0.03135 3.13402 D61 3.10366 0.00123 0.02895 0.00000 0.02892 3.13259 D62 0.04479 -0.00062 -0.04279 0.00000 -0.04267 0.00212 D63 0.05592 -0.00131 -0.03595 0.00000 -0.03594 0.01998 D64 -3.02648 -0.00293 -0.07338 0.00000 -0.07343 -3.09991 D65 3.11127 0.00128 0.03878 0.00000 0.03890 -3.13302 D66 0.02887 -0.00033 0.00134 0.00000 0.00141 0.03028 D67 -1.60427 -0.00163 0.08151 0.00000 0.08140 -1.52286 D68 0.44259 0.00150 0.13170 0.00000 0.13176 0.57435 D69 2.42509 0.00449 0.16238 0.00000 0.16246 2.58755 D70 1.62589 -0.00420 0.00475 0.00000 0.00462 1.63051 D71 -2.61043 -0.00107 0.05494 0.00000 0.05498 -2.55546 D72 -0.62794 0.00192 0.08562 0.00000 0.08568 -0.54226 D73 -0.02760 0.00051 0.01308 0.00000 0.01311 -0.01449 D74 3.10807 0.00070 0.02188 0.00000 0.02189 3.12996 D75 3.05588 0.00197 0.04975 0.00000 0.04977 3.10565 D76 -0.09164 0.00216 0.05855 0.00000 0.05856 -0.03308 D77 -1.33920 0.00353 0.10969 0.00000 0.10990 -1.22931 D78 0.83517 0.00218 0.06623 0.00000 0.06635 0.90152 D79 2.82010 0.00344 0.09349 0.00000 0.09361 2.91370 D80 2.88650 0.00077 0.06129 0.00000 0.06131 2.94781 D81 -1.22232 -0.00057 0.01783 0.00000 0.01777 -1.20455 D82 0.76261 0.00069 0.04509 0.00000 0.04502 0.80763 D83 0.90571 -0.00126 0.03242 0.00000 0.03236 0.93807 D84 3.08008 -0.00260 -0.01104 0.00000 -0.01118 3.06890 D85 -1.21818 -0.00134 0.01621 0.00000 0.01607 -1.20210 D86 3.11723 0.00007 -0.01889 0.00000 -0.01894 3.09830 D87 1.00842 -0.00154 -0.03396 0.00000 -0.03402 0.97440 D88 -1.04767 0.00013 -0.01119 0.00000 -0.01123 -1.05890 D89 0.94255 0.00217 0.02552 0.00000 0.02555 0.96810 D90 -1.16626 0.00057 0.01045 0.00000 0.01046 -1.15580 D91 3.06083 0.00224 0.03322 0.00000 0.03325 3.09408 D92 -1.05112 -0.00039 -0.00226 0.00000 -0.00222 -1.05335 D93 3.12325 -0.00199 -0.01733 0.00000 -0.01731 3.10594 D94 1.06716 -0.00032 0.00545 0.00000 0.00548 1.07264 D95 0.99572 0.00022 0.00674 0.00000 0.00675 1.00246 D96 -1.02998 0.00025 0.01003 0.00000 0.01003 -1.01995 D97 3.12532 0.00022 0.00821 0.00000 0.00821 3.13353 D98 3.12943 -0.00022 0.00523 0.00000 0.00523 3.13466 D99 1.10374 -0.00019 0.00852 0.00000 0.00851 1.11225 D100 -1.02415 -0.00022 0.00670 0.00000 0.00669 -1.01745 D101 -1.12543 -0.00004 0.00125 0.00000 0.00125 -1.12418 D102 3.13206 -0.00001 0.00454 0.00000 0.00454 3.13660 D103 1.00417 -0.00004 0.00272 0.00000 0.00272 1.00689 D104 1.04340 -0.00027 0.00081 0.00000 0.00081 1.04421 D105 -1.05327 -0.00001 0.00169 0.00000 0.00169 -1.05158 D106 3.13649 -0.00014 0.00145 0.00000 0.00145 3.13795 D107 -3.11049 0.00009 0.00232 0.00000 0.00232 -3.10817 D108 1.07603 0.00035 0.00320 0.00000 0.00320 1.07923 D109 -1.01739 0.00023 0.00297 0.00000 0.00297 -1.01443 D110 -1.08384 -0.00021 -0.00111 0.00000 -0.00111 -1.08495 D111 3.10267 0.00005 -0.00022 0.00000 -0.00022 3.10245 D112 1.00925 -0.00007 -0.00046 0.00000 -0.00046 1.00879 Item Value Threshold Converged? Maximum Force 0.014476 0.000450 NO RMS Force 0.002733 0.000300 NO Maximum Displacement 1.288630 0.001800 NO RMS Displacement 0.243414 0.001200 NO Predicted change in Energy=-8.998479D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.038058 -4.783417 2.375961 2 6 0 7.222552 -3.743331 3.467214 3 8 0 6.777983 -6.051443 2.898610 4 8 0 2.877069 -3.269989 -0.784990 5 6 0 3.712121 -3.641057 -0.015399 6 7 0 5.040417 -3.361570 -0.301338 7 6 0 6.158569 -3.686353 0.406052 8 8 0 7.256378 -3.336553 0.085059 9 7 0 5.906532 -4.455632 1.510651 10 6 0 4.622954 -4.782832 1.875646 11 6 0 3.514659 -4.437131 1.205702 12 1 0 7.899028 -4.807876 1.730052 13 1 0 7.411553 -2.771775 3.030059 14 1 0 8.073968 -4.004545 4.087376 15 1 0 5.198449 -2.819305 -1.124658 16 1 0 4.584304 -5.383653 2.757264 17 6 0 2.159752 -4.867729 1.656205 18 1 0 6.343262 -3.688926 4.098077 19 1 0 7.508639 -6.337916 3.421849 20 6 0 2.008393 -5.947154 2.518774 21 6 0 0.762856 -6.353231 2.956179 22 6 0 -0.394124 -5.711021 2.543220 23 6 0 -0.241184 -4.627663 1.688688 24 6 0 0.998842 -4.215981 1.245613 25 1 0 2.863957 -6.497002 2.866536 26 1 0 0.695547 -7.194064 3.626255 27 6 0 -1.748141 -6.183629 3.031036 28 1 0 -1.107050 -4.073713 1.372029 29 1 0 1.062753 -3.381954 0.579345 30 6 0 -2.384162 -7.297364 2.183455 31 6 0 -2.862796 -6.854654 0.803085 32 1 0 -1.634795 -6.565870 4.040248 33 1 0 -2.424377 -5.336697 3.104412 34 1 0 -1.661569 -8.100771 2.063046 35 1 0 -3.220157 -7.717569 2.737859 36 6 0 -3.431246 -8.006180 -0.023414 37 1 0 -2.040976 -6.400990 0.257115 38 1 0 -3.623007 -6.082977 0.915195 39 1 0 -4.251015 -8.471045 0.519664 40 1 0 -2.671667 -8.775286 -0.140538 41 6 0 -3.920327 -7.561924 -1.399621 42 1 0 -3.114805 -7.123242 -1.980104 43 1 0 -4.709293 -6.820632 -1.316430 44 1 0 -4.313901 -8.401354 -1.962039 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518765 0.000000 3 O 1.395956 2.418333 0.000000 4 O 5.440212 6.098238 6.043387 0.000000 5 C 4.252698 4.945924 4.868359 1.194686 0.000000 6 N 3.630447 4.371433 4.527054 2.218644 1.387171 7 C 2.420246 3.241299 3.491443 3.515705 2.482897 8 O 2.718328 3.406696 3.938979 4.465397 3.558732 9 N 1.461696 2.463213 2.287460 3.981628 2.794244 10 C 2.466383 3.220491 2.701848 3.523605 2.389417 11 C 3.728774 4.398211 4.015125 2.394075 1.470990 12 H 1.076599 2.146766 2.041747 5.823281 4.683829 13 H 2.148033 1.082010 3.342890 5.946795 4.869935 14 H 2.146786 1.085239 2.698617 7.161514 5.999215 15 H 4.415454 5.102558 5.397067 2.388995 2.028523 16 H 2.554718 3.186697 2.297423 4.464279 3.388952 17 C 4.931838 5.493265 4.926744 3.004455 2.590141 18 H 2.155536 1.083558 2.684994 6.002862 4.883224 19 H 1.931786 2.610704 0.943242 6.968581 5.788028 20 C 5.164515 5.739671 4.785828 4.340123 3.826592 21 C 6.494546 6.985728 6.022968 5.288914 4.988419 22 C 7.491713 7.920816 7.188972 5.266529 5.262370 23 C 7.313273 7.723506 7.263592 4.205456 4.416551 24 C 6.170235 6.625214 6.284886 2.923352 3.046731 25 H 4.538740 5.190459 3.939436 4.873133 4.145039 26 H 6.899413 7.384758 6.231459 6.294163 5.914831 27 C 8.921155 9.306913 8.528177 6.666627 6.749807 28 H 8.237374 8.595418 8.271373 4.601293 5.033543 29 H 6.395013 6.812745 6.720790 2.272816 2.727638 30 C 9.753728 10.323184 9.274086 7.260301 7.440982 31 C 10.236741 10.885409 9.898534 6.951104 7.363875 32 H 9.009182 9.313843 8.505457 7.382592 7.320677 33 H 9.506547 9.784358 9.232369 6.892319 7.089783 34 H 9.315914 9.994326 8.724904 7.214360 7.285981 35 H 10.675729 11.197173 10.137288 8.328721 8.500286 36 C 11.213810 11.994156 10.797573 7.925045 8.371503 37 H 9.462289 10.157797 9.212694 5.922526 6.386676 38 H 10.838866 11.384766 10.588462 7.283853 7.786725 39 H 12.020300 12.754688 11.539179 8.919792 9.328806 40 H 10.795673 11.671847 10.293281 7.842964 8.193212 41 C 11.918948 12.744860 11.627991 8.062447 8.691578 42 H 11.292950 12.163799 11.082322 7.223462 7.911549 43 H 12.481356 13.218243 12.260332 8.392996 9.095197 44 H 12.679695 13.574376 12.336040 8.912148 9.532411 6 7 8 9 10 6 N 0.000000 7 C 1.362405 0.000000 8 O 2.249536 1.196069 0.000000 9 N 2.287013 1.369472 2.259809 0.000000 10 C 2.633157 2.391670 3.497549 1.373992 0.000000 11 C 2.399153 2.862406 4.058026 2.411305 1.340392 12 H 3.793415 2.457639 2.298649 2.035253 3.279403 13 H 4.131386 3.048252 3.002679 2.721960 3.626749 14 H 5.373700 4.161988 4.139227 3.397170 4.172167 15 H 0.998440 2.004164 2.442547 3.181792 3.631591 16 H 3.694848 3.299596 4.297822 2.040478 1.067581 17 C 3.794564 4.353053 5.548747 3.772183 2.474414 18 H 4.599937 3.696643 4.130649 2.733742 3.015840 19 H 5.367763 4.236569 4.495106 3.124487 3.624392 20 C 4.881746 5.176754 6.346618 4.293767 2.933460 21 C 6.152965 6.536750 7.714240 5.669906 4.305120 22 C 6.568536 7.183631 8.379191 6.506955 5.145703 23 C 5.784332 6.594547 7.775090 6.152698 4.870202 24 C 4.411055 5.254346 6.424721 4.920680 3.721887 25 H 4.960175 4.980783 6.084276 3.906773 2.648455 26 H 6.999421 7.246955 8.394342 6.255330 4.929828 27 C 8.071756 8.697298 9.892724 7.993219 6.624802 28 H 6.410823 7.339780 8.493917 7.025340 5.795638 29 H 4.074044 5.107840 6.213484 5.048001 4.039540 30 C 8.762936 9.443348 10.631618 8.789978 7.450993 31 C 8.711036 9.569785 10.737331 9.119049 7.840872 32 H 8.583435 9.068380 10.253046 8.229433 6.857415 33 H 8.439396 9.147226 10.336058 8.527625 7.175061 34 H 8.542069 9.131663 10.302426 8.418332 7.109083 35 H 9.820821 10.471319 11.661408 9.769479 8.418461 36 C 9.665336 10.526628 11.663726 10.107118 8.880683 37 H 7.726324 8.638517 9.790872 8.277600 7.045995 38 H 9.161929 10.083763 11.251356 9.685811 8.402899 39 H 10.635389 11.457122 12.608410 10.967286 9.705098 40 H 9.423929 10.206325 11.322403 9.745324 8.556646 41 C 9.957114 10.948271 12.040630 10.709149 9.562341 42 H 9.136525 10.173565 11.232336 10.034243 8.956408 43 H 10.394824 11.441201 12.541143 11.237498 10.071386 44 H 10.754562 11.726539 12.795084 11.492847 10.377326 11 12 13 14 15 11 C 0.000000 12 H 4.431149 0.000000 13 H 4.613835 2.464418 0.000000 14 H 5.410958 2.496581 1.753976 0.000000 15 H 3.298952 4.404192 4.707628 6.069489 0.000000 16 H 2.108883 3.517681 3.858712 3.981067 4.692800 17 C 1.491355 5.740063 5.819099 6.452412 4.600317 18 H 4.114200 3.046309 1.767222 1.759282 5.416992 19 H 4.947340 2.314218 3.588912 2.491414 6.195832 20 C 2.504629 6.051415 6.287972 6.559378 5.764937 21 C 3.782595 7.403814 7.552315 7.761977 6.986870 22 C 4.323233 8.381723 8.354925 8.775253 7.286442 23 C 3.791561 8.142311 7.987989 8.676619 6.385506 24 C 2.525834 6.942448 6.811229 7.627432 5.020517 25 H 2.724858 5.431085 5.880875 5.903135 5.908040 26 H 4.626787 7.821740 8.063302 8.051507 7.873108 27 C 5.837736 9.831232 9.774494 10.116228 8.766047 28 H 4.638958 9.043042 8.775574 9.574392 6.896833 29 H 2.741818 7.077573 6.832685 7.864543 4.508236 30 C 6.628200 10.589954 10.823758 11.128345 9.407052 31 C 6.832163 10.993880 11.277923 11.769557 9.218672 32 H 6.251644 9.966008 9.861645 10.041050 9.349130 33 H 6.299720 10.427905 10.165130 10.628080 9.073576 34 H 6.399268 10.117265 10.566686 10.754425 9.225789 35 H 7.646341 11.537689 11.729429 11.965158 10.477832 36 C 7.905342 11.902895 12.421312 12.856190 10.128576 37 H 5.968387 10.174047 10.498130 11.078174 8.194331 38 H 7.330722 11.620980 11.713165 12.296416 9.624482 39 H 8.777745 12.747839 13.221167 13.586147 11.132760 40 H 7.674802 11.444608 12.155911 12.494155 9.918717 41 C 8.475320 12.533027 13.075897 13.661083 10.282029 42 H 7.830348 11.850346 12.443521 13.104550 9.400312 43 H 8.926120 13.126386 13.498153 14.161329 10.686943 44 H 9.329308 13.255197 13.931958 14.470198 11.060980 16 17 18 19 20 16 H 0.000000 17 C 2.712371 0.000000 18 H 2.786362 4.985385 0.000000 19 H 3.147067 5.821473 2.971959 0.000000 20 C 2.647589 1.389998 5.136622 5.587572 0.000000 21 C 3.947545 2.418257 6.288353 6.761855 1.381153 22 C 4.993769 2.832000 7.204084 7.976131 2.414217 23 C 4.999870 2.413127 7.073988 8.123335 2.736913 24 C 4.062521 1.393224 6.080885 7.184433 2.374256 25 H 2.052092 2.148333 4.637623 4.680466 1.074831 26 H 4.376662 3.381839 6.663730 6.869717 2.122467 27 C 6.388644 4.346652 8.534220 9.266311 3.798668 28 H 6.002193 3.373901 7.942704 9.141033 3.811927 29 H 4.599070 2.137887 6.352911 7.639830 3.351995 30 C 7.249211 5.179602 9.636106 10.016071 4.607607 31 C 7.838491 5.468242 10.277660 10.709417 5.243626 32 H 6.459170 4.792278 8.481128 9.167157 3.996312 33 H 7.017430 4.830266 8.976303 9.988394 4.512768 34 H 6.846575 5.022009 9.363922 9.436457 4.279529 35 H 8.145990 6.183445 10.466095 10.838743 5.524500 36 C 8.880251 6.627991 11.452789 11.590256 6.347596 37 H 7.154024 4.685559 9.612686 10.060551 4.660306 38 H 8.440511 5.955354 10.732602 11.413232 5.856840 39 H 9.622978 7.441341 12.161925 12.298878 7.038938 40 H 8.517602 6.468378 11.185074 11.057578 6.080562 41 C 9.713562 7.318751 12.270536 12.464591 7.287730 42 H 9.205710 6.791984 11.755588 11.943844 6.918833 43 H 10.248455 7.735256 12.699742 13.113435 7.784540 44 H 10.514579 8.215009 13.134196 13.153573 8.128479 21 22 23 24 25 21 C 0.000000 22 C 1.386208 0.000000 23 C 2.364786 1.388265 0.000000 24 C 2.747646 2.420596 1.379660 0.000000 25 H 2.107921 3.367104 3.810991 3.362900 0.000000 26 H 1.077281 2.135361 3.349335 3.824712 2.401056 27 C 2.517831 1.514821 2.548303 3.821686 4.625657 28 H 3.346980 2.135586 1.075573 2.114474 4.886181 29 H 3.816773 3.376958 2.117234 1.069392 4.263695 30 C 3.375235 2.570246 3.458968 4.671101 5.352563 31 C 4.246479 3.229598 3.551989 4.697943 6.097658 32 H 2.639915 2.123940 3.350915 4.502000 4.649850 33 H 3.348696 2.139387 2.696912 4.053340 5.419351 34 H 3.119201 2.747342 3.770957 4.778867 4.868064 35 H 4.215860 3.471395 4.418434 5.682242 6.206672 36 C 5.403768 4.591239 4.951987 5.966718 7.089359 37 H 3.892133 2.900768 2.904022 3.871937 5.556677 38 H 4.845044 3.635176 3.762043 4.995633 6.786741 39 H 5.963275 5.156367 5.675998 6.796586 7.747740 40 H 5.220341 4.666849 5.143549 6.015091 6.698971 41 C 6.508927 5.604100 5.628822 6.510823 8.084594 42 H 6.324244 5.464150 5.286365 5.981598 7.721897 43 H 6.958309 5.894813 5.814108 6.777248 8.657717 44 H 7.359153 6.549801 6.644966 7.485427 8.857953 26 27 28 29 30 26 H 0.000000 27 C 2.710512 0.000000 28 H 4.250586 2.759537 0.000000 29 H 4.893944 4.664900 2.411414 0.000000 30 C 3.402492 1.537310 3.561089 5.457547 0.000000 31 C 4.554919 2.580018 3.337659 5.245915 1.526598 32 H 2.448777 1.085110 3.689004 5.421432 2.131740 33 H 3.668250 1.086265 2.516273 4.728325 2.166563 34 H 2.970140 2.149403 4.123371 5.647169 1.087245 35 H 4.049202 2.146103 4.428137 6.465296 1.087577 36 C 5.568666 3.934997 4.776342 6.476327 2.543438 37 H 4.412327 2.797791 2.744352 4.341837 2.152219 38 H 5.218647 2.828788 3.252058 5.418918 2.148943 39 H 5.979136 4.219436 5.472437 7.357890 2.762402 40 H 5.294065 4.198627 5.180798 6.599406 2.769089 41 C 6.833816 5.123359 5.269173 6.798495 3.907458 42 H 6.779016 5.278463 4.956562 6.164415 4.230766 43 H 7.333614 5.298553 5.267782 6.981045 4.228795 44 H 7.601391 6.035911 6.334696 7.782121 4.704020 31 32 33 34 35 31 C 0.000000 32 H 3.474277 0.000000 33 H 2.791506 1.734962 0.000000 34 H 2.140854 2.503191 3.050642 0.000000 35 H 2.148413 2.352871 2.536962 1.741095 0.000000 36 C 1.527171 4.670662 4.233582 2.737521 2.784328 37 H 1.085947 3.808446 3.063791 2.508902 3.045970 38 H 1.089025 3.735255 2.605057 3.039127 2.481186 39 H 2.149466 4.782135 4.454398 3.037164 2.559450 40 H 2.148438 4.841032 4.734421 2.516158 3.115248 41 C 2.543722 5.983975 5.241737 4.169221 4.199191 42 H 2.807453 6.224607 5.433299 4.406191 4.756417 43 H 2.811238 6.181541 5.192952 4.727392 4.411268 44 H 3.484810 6.824519 6.215412 4.829754 4.873692 36 37 38 39 40 36 C 0.000000 37 H 2.142004 0.000000 38 H 2.148597 1.742706 0.000000 39 H 1.087684 3.039462 2.500741 0.000000 40 H 1.087291 2.488610 3.044363 1.738611 0.000000 41 C 1.526600 2.761249 2.762979 2.149305 2.148648 42 H 2.169873 2.584552 3.118201 3.058822 2.511897 43 H 2.170442 3.126029 2.589267 2.511001 3.058646 44 H 2.166450 3.753969 3.759079 2.483478 2.480851 41 42 43 44 41 C 0.000000 42 H 1.085480 0.000000 43 H 1.085773 1.753405 0.000000 44 H 1.084369 1.752634 1.752663 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.736510 -1.022869 0.668940 2 6 0 -5.302900 -1.611203 -0.611573 3 8 0 -4.150088 -1.996796 1.479044 4 8 0 -0.992587 2.702632 -0.634744 5 6 0 -1.733919 1.804295 -0.368860 6 7 0 -3.060107 2.105350 -0.095300 7 6 0 -4.080039 1.266980 0.240886 8 8 0 -5.205210 1.641002 0.397979 9 7 0 -3.693022 -0.038267 0.389216 10 6 0 -2.401049 -0.433217 0.138871 11 6 0 -1.399508 0.378823 -0.227406 12 1 0 -5.500682 -0.489713 1.208248 13 1 0 -5.739718 -0.830888 -1.220706 14 1 0 -6.081435 -2.329666 -0.376119 15 1 0 -3.310917 3.067325 -0.187931 16 1 0 -2.250742 -1.478577 0.294947 17 6 0 -0.015198 -0.131988 -0.443970 18 1 0 -4.529096 -2.117549 -1.176321 19 1 0 -4.798976 -2.630257 1.738612 20 6 0 0.386349 -1.346502 0.099912 21 6 0 1.660237 -1.841460 -0.099607 22 6 0 2.600718 -1.142156 -0.839904 23 6 0 2.195898 0.066512 -1.389924 24 6 0 0.926006 0.569210 -1.194655 25 1 0 -0.289941 -1.932534 0.695278 26 1 0 1.925012 -2.788620 0.340073 27 6 0 3.993924 -1.704025 -1.034748 28 1 0 2.878462 0.626342 -2.004378 29 1 0 0.666211 1.510335 -1.630991 30 6 0 4.993891 -1.343258 0.075764 31 6 0 5.420009 0.122470 0.099576 32 1 0 3.924995 -2.786270 -1.072928 33 1 0 4.379794 -1.392972 -2.001351 34 1 0 4.554429 -1.596349 1.037490 35 1 0 5.873535 -1.973239 -0.034576 36 6 0 6.365360 0.445055 1.254782 37 1 0 4.543265 0.758995 0.173305 38 1 0 5.905341 0.372428 -0.842735 39 1 0 7.243704 -0.193451 1.192522 40 1 0 5.880237 0.200749 2.196680 41 6 0 6.800651 1.908175 1.272438 42 1 0 5.946442 2.571094 1.368001 43 1 0 7.324546 2.173894 0.359295 44 1 0 7.467005 2.105573 2.104822 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5950348 0.1053448 0.0961966 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1735.5778050482 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.64D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999995 -0.002545 -0.001115 0.001444 Ang= -0.36 deg. B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999891 0.013242 0.004054 -0.005083 Ang= 1.69 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) = -990.112430762 A.U. after 10 cycles NFock= 10 Conv=0.54D-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 0.000646844 -0.001110841 -0.000889665 2 6 0.001037660 -0.000590277 0.000566579 3 8 -0.005704296 0.000861408 -0.002663591 4 8 -0.003682204 0.002994579 0.000900668 5 6 0.002434292 -0.006933064 -0.004947030 6 7 0.001060360 0.003844291 -0.000352670 7 6 -0.002664639 -0.003519810 0.000082066 8 8 0.003603131 0.002889434 -0.001967637 9 7 0.000429813 0.000987030 0.002174783 10 6 -0.000554434 -0.000387995 0.000547811 11 6 0.000590252 0.000668312 0.002540576 12 1 0.000956235 0.000140956 0.000205891 13 1 0.000054919 0.000769684 -0.000181089 14 1 0.000561584 0.000217416 0.000771338 15 1 -0.000252091 -0.000140453 -0.000085498 16 1 -0.000685592 0.001590192 0.001145787 17 6 0.000762717 0.000834280 -0.003544011 18 1 -0.000628046 0.000072288 0.000373820 19 1 0.003910311 -0.000894971 0.002519966 20 6 0.000560623 -0.003680889 0.002723814 21 6 0.001528366 -0.002936759 0.000567538 22 6 -0.001297762 0.001258086 0.001180190 23 6 -0.005255327 0.000125628 0.002035359 24 6 0.003918277 0.003174999 -0.000395487 25 1 -0.000359698 -0.000892058 -0.001485321 26 1 0.000124633 0.000328975 -0.000134118 27 6 0.000373963 0.000032499 0.001628886 28 1 -0.000911361 -0.000624374 -0.000934137 29 1 -0.000060320 0.000166382 -0.000088470 30 6 0.001756390 -0.000043558 -0.001586051 31 6 -0.000146311 0.000658570 -0.000167436 32 1 0.000624384 0.000801997 0.001339404 33 1 -0.001114113 -0.000213088 -0.001444435 34 1 0.000355942 -0.000586059 0.001066057 35 1 -0.000608267 0.000499977 -0.000106479 36 6 -0.000945621 -0.000142009 0.000064319 37 1 0.000364676 0.000246731 0.000021486 38 1 -0.000096540 0.000324287 -0.000054861 39 1 -0.000564867 -0.000144399 0.000006996 40 1 0.000517390 -0.000047589 -0.000200576 41 6 -0.000277300 -0.000681137 -0.000272283 42 1 0.000425537 0.000249970 -0.000152384 43 1 -0.000279642 0.000352094 0.000127316 44 1 -0.000509870 -0.000520739 -0.000937419 ------------------------------------------------------------------- Cartesian Forces: Max 0.006933064 RMS 0.001711106 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004951628 RMS 0.001117243 Search for a local minimum. Step number 14 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 9 11 13 10 14 ITU= 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00177 0.00230 0.00243 0.00289 0.00299 Eigenvalues --- 0.00368 0.00986 0.01436 0.01455 0.01503 Eigenvalues --- 0.01508 0.01560 0.01731 0.01800 0.01883 Eigenvalues --- 0.01909 0.01951 0.02078 0.02095 0.02127 Eigenvalues --- 0.02245 0.02427 0.02461 0.02472 0.02576 Eigenvalues --- 0.02624 0.03365 0.03439 0.03445 0.04312 Eigenvalues --- 0.04716 0.04763 0.04850 0.05171 0.05336 Eigenvalues --- 0.05430 0.05455 0.05484 0.05563 0.05632 Eigenvalues --- 0.06925 0.08341 0.08352 0.08636 0.08684 Eigenvalues --- 0.09757 0.12191 0.12219 0.12316 0.13123 Eigenvalues --- 0.14710 0.15843 0.15977 0.15998 0.15999 Eigenvalues --- 0.16000 0.16000 0.16003 0.16005 0.16034 Eigenvalues --- 0.16096 0.16248 0.16640 0.17929 0.20210 Eigenvalues --- 0.20787 0.21858 0.21971 0.22050 0.22514 Eigenvalues --- 0.22746 0.23166 0.23501 0.24148 0.24252 Eigenvalues --- 0.24930 0.24966 0.25230 0.25947 0.26943 Eigenvalues --- 0.28215 0.28314 0.28874 0.29200 0.29816 Eigenvalues --- 0.31557 0.31991 0.32426 0.32891 0.33535 Eigenvalues --- 0.33565 0.33677 0.33693 0.33698 0.33723 Eigenvalues --- 0.33724 0.33738 0.33745 0.33760 0.33782 Eigenvalues --- 0.33790 0.33927 0.34013 0.34919 0.36231 Eigenvalues --- 0.37536 0.37910 0.38264 0.38636 0.39093 Eigenvalues --- 0.39805 0.43553 0.44273 0.47652 0.49383 Eigenvalues --- 0.50523 0.51589 0.52297 0.54971 0.55884 Eigenvalues --- 0.56695 0.57734 0.59794 0.80896 0.89982 Eigenvalues --- 1.05445 RFO step: Lambda=-1.86923144D-03 EMin= 1.77463272D-03 Quartic linear search produced a step of -0.01355. Iteration 1 RMS(Cart)= 0.08437112 RMS(Int)= 0.00167324 Iteration 2 RMS(Cart)= 0.00281397 RMS(Int)= 0.00002914 Iteration 3 RMS(Cart)= 0.00000403 RMS(Int)= 0.00002909 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00002909 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87005 0.00155 0.00000 -0.00109 -0.00108 2.86897 R2 2.63797 0.00031 0.00001 0.00005 0.00005 2.63803 R3 2.76221 0.00118 -0.00001 0.00013 0.00011 2.76232 R4 2.03448 0.00064 -0.00000 -0.00062 -0.00062 2.03386 R5 2.04470 0.00077 -0.00000 -0.00087 -0.00087 2.04384 R6 2.05080 0.00083 -0.00000 -0.00066 -0.00066 2.05014 R7 2.04763 0.00073 -0.00000 -0.00058 -0.00058 2.04705 R8 1.78247 0.00470 -0.00001 0.00044 0.00043 1.78290 R9 2.25763 0.00292 0.00001 -0.00242 -0.00241 2.25522 R10 2.62137 0.00180 -0.00001 0.00036 0.00036 2.62173 R11 2.77977 0.00149 0.00002 0.00450 0.00452 2.78429 R12 2.57457 0.00190 -0.00001 0.00418 0.00419 2.57876 R13 1.88678 -0.00005 -0.00000 0.00124 0.00124 1.88802 R14 2.26024 0.00468 0.00000 -0.00186 -0.00186 2.25839 R15 2.58793 0.00334 -0.00002 0.00202 0.00200 2.58993 R16 2.59647 0.00173 -0.00000 0.00167 0.00165 2.59811 R17 2.53297 -0.00004 0.00002 -0.00280 -0.00280 2.53017 R18 2.01744 0.00008 -0.00002 0.00300 0.00298 2.02042 R19 2.81825 0.00121 0.00007 -0.00262 -0.00255 2.81571 R20 2.62671 0.00495 0.00006 -0.00154 -0.00148 2.62524 R21 2.63281 0.00147 -0.00001 0.00224 0.00222 2.63503 R22 2.61000 0.00146 -0.00003 0.00299 0.00297 2.61297 R23 2.03114 -0.00031 -0.00002 0.00190 0.00188 2.03302 R24 2.61955 0.00359 0.00000 0.00142 0.00143 2.62098 R25 2.03577 -0.00035 0.00000 0.00126 0.00126 2.03703 R26 2.62344 0.00034 -0.00004 0.00280 0.00276 2.62620 R27 2.86260 -0.00035 -0.00004 -0.00036 -0.00039 2.86221 R28 2.60718 0.00485 0.00003 0.00008 0.00010 2.60728 R29 2.03254 0.00069 0.00001 0.00183 0.00184 2.03438 R30 2.02086 0.00018 -0.00002 0.00134 0.00132 2.02218 R31 2.90510 0.00109 -0.00005 0.00762 0.00757 2.91266 R32 2.05056 0.00103 0.00000 -0.00236 -0.00235 2.04821 R33 2.05274 0.00043 -0.00001 0.00006 0.00005 2.05280 R34 2.88485 0.00197 -0.00001 0.00362 0.00361 2.88846 R35 2.05459 0.00055 0.00000 0.00037 0.00038 2.05497 R36 2.05522 0.00022 -0.00000 -0.00230 -0.00230 2.05293 R37 2.88593 0.00205 0.00000 0.00264 0.00264 2.88857 R38 2.05214 0.00037 0.00003 -0.00274 -0.00272 2.04943 R39 2.05796 0.00029 -0.00000 -0.00029 -0.00029 2.05766 R40 2.05542 0.00049 -0.00000 -0.00053 -0.00054 2.05489 R41 2.05468 0.00042 -0.00000 -0.00133 -0.00133 2.05335 R42 2.88486 0.00114 0.00000 0.00040 0.00040 2.88526 R43 2.05126 0.00050 -0.00000 -0.00055 -0.00055 2.05071 R44 2.05181 0.00045 -0.00000 -0.00057 -0.00057 2.05124 R45 2.04916 0.00107 -0.00000 -0.00014 -0.00014 2.04902 A1 1.95593 -0.00005 0.00000 -0.00029 -0.00029 1.95564 A2 1.94531 0.00158 -0.00001 0.00442 0.00441 1.94971 A3 1.92782 -0.00080 0.00000 -0.00061 -0.00063 1.92719 A4 1.85576 -0.00180 0.00000 -0.00475 -0.00474 1.85102 A5 1.93155 0.00066 0.00001 -0.00388 -0.00386 1.92769 A6 1.84315 0.00043 -0.00001 0.00529 0.00527 1.84842 A7 1.92393 0.00009 -0.00000 0.00037 0.00037 1.92430 A8 1.91884 0.00078 -0.00000 -0.00041 -0.00041 1.91843 A9 1.93279 -0.00021 0.00000 0.00053 0.00053 1.93332 A10 1.88595 -0.00032 0.00000 0.00025 0.00026 1.88621 A11 1.90910 -0.00010 -0.00000 -0.00087 -0.00087 1.90823 A12 1.89233 -0.00025 0.00000 0.00011 0.00011 1.89244 A13 1.91692 -0.00107 -0.00000 0.00059 0.00058 1.91750 A14 2.06456 0.00202 -0.00006 0.00456 0.00447 2.06903 A15 2.22561 -0.00214 0.00003 0.00100 0.00099 2.22660 A16 1.99182 0.00023 0.00003 -0.00489 -0.00488 1.98694 A17 2.25342 -0.00069 0.00001 0.00432 0.00436 2.25778 A18 2.01636 0.00011 -0.00001 0.00044 0.00041 2.01677 A19 2.01277 0.00059 -0.00000 -0.00487 -0.00489 2.00788 A20 2.14627 -0.00189 0.00001 -0.00217 -0.00230 2.14397 A21 1.98413 0.00028 -0.00002 -0.00367 -0.00380 1.98033 A22 2.15277 0.00162 0.00000 0.00566 0.00551 2.15827 A23 2.04991 0.00257 -0.00000 0.00150 0.00150 2.05141 A24 2.10891 -0.00192 0.00000 -0.00270 -0.00269 2.10622 A25 2.11761 -0.00062 0.00001 0.00076 0.00076 2.11836 A26 2.18737 0.00020 0.00003 -0.00041 -0.00043 2.18694 A27 1.96840 0.00048 -0.00006 -0.00415 -0.00421 1.96420 A28 2.12700 -0.00065 0.00003 0.00485 0.00488 2.13188 A29 2.03028 0.00064 -0.00006 0.00305 0.00295 2.03323 A30 2.12818 -0.00192 0.00003 0.00252 0.00255 2.13073 A31 2.12439 0.00129 0.00004 -0.00535 -0.00531 2.11908 A32 2.10668 0.00180 0.00004 -0.00840 -0.00839 2.09829 A33 2.13285 -0.00178 0.00001 0.00654 0.00652 2.13937 A34 2.04364 -0.00003 -0.00004 0.00181 0.00174 2.04539 A35 2.12122 -0.00033 0.00003 -0.00212 -0.00211 2.11911 A36 2.10757 0.00013 0.00005 -0.00567 -0.00566 2.10191 A37 2.05439 0.00020 -0.00008 0.00775 0.00762 2.06202 A38 2.12014 -0.00019 -0.00001 0.00103 0.00103 2.12117 A39 2.07466 -0.00000 0.00001 0.00425 0.00422 2.07888 A40 2.08835 0.00019 -0.00000 -0.00539 -0.00543 2.08291 A41 2.04087 0.00101 0.00001 0.00018 0.00016 2.04103 A42 2.10083 0.00188 0.00004 -0.00527 -0.00531 2.09553 A43 2.14142 -0.00288 -0.00004 0.00529 0.00517 2.14660 A44 2.12887 -0.00055 0.00001 -0.00151 -0.00150 2.12737 A45 2.08799 -0.00015 -0.00002 0.00310 0.00307 2.09106 A46 2.06613 0.00071 0.00001 -0.00149 -0.00148 2.06464 A47 2.11144 0.00010 0.00001 0.00055 0.00057 2.11201 A48 2.09284 0.00003 0.00000 0.00235 0.00234 2.09519 A49 2.07890 -0.00012 -0.00001 -0.00291 -0.00292 2.07597 A50 2.00235 -0.00078 -0.00019 -0.00368 -0.00387 1.99848 A51 1.89235 -0.00018 0.00013 -0.00730 -0.00718 1.88516 A52 1.91235 0.00066 -0.00003 0.00282 0.00280 1.91515 A53 1.87632 0.00141 0.00014 0.00196 0.00207 1.87839 A54 1.92254 -0.00112 -0.00005 0.00133 0.00128 1.92382 A55 1.85131 0.00009 0.00003 0.00540 0.00542 1.85673 A56 2.00220 0.00046 -0.00018 0.01234 0.01211 2.01432 A57 1.89804 -0.00035 -0.00000 -0.00233 -0.00246 1.89558 A58 1.89323 -0.00036 0.00009 -0.01059 -0.01048 1.88275 A59 1.89919 0.00065 0.00000 0.00845 0.00841 1.90760 A60 1.90919 -0.00051 0.00008 -0.01246 -0.01232 1.89687 A61 1.85649 0.00008 0.00003 0.00414 0.00418 1.86067 A62 1.96860 0.00070 0.00002 0.00023 0.00024 1.96884 A63 1.91610 -0.00040 -0.00004 -0.00013 -0.00017 1.91593 A64 1.90845 -0.00014 -0.00000 -0.00069 -0.00070 1.90775 A65 1.90138 0.00016 0.00004 0.00014 0.00019 1.90157 A66 1.90728 -0.00042 0.00001 -0.00537 -0.00537 1.90192 A67 1.85878 0.00005 -0.00003 0.00616 0.00613 1.86490 A68 1.90984 -0.00009 0.00000 0.00146 0.00146 1.91130 A69 1.90883 -0.00044 0.00000 -0.00317 -0.00317 1.90566 A70 1.96893 0.00100 0.00000 0.00013 0.00013 1.96906 A71 1.85249 0.00030 -0.00001 0.00587 0.00586 1.85836 A72 1.91031 -0.00050 0.00000 -0.00213 -0.00213 1.90817 A73 1.90980 -0.00031 0.00000 -0.00180 -0.00181 1.90800 A74 1.94116 -0.00028 -0.00000 -0.00011 -0.00011 1.94104 A75 1.94165 -0.00025 -0.00000 0.00030 0.00030 1.94195 A76 1.93753 0.00082 -0.00000 0.00279 0.00278 1.94031 A77 1.87999 0.00009 -0.00000 -0.00145 -0.00145 1.87854 A78 1.88055 -0.00019 0.00000 -0.00079 -0.00078 1.87977 A79 1.88023 -0.00021 0.00000 -0.00092 -0.00092 1.87930 D1 -3.13100 0.00061 0.00000 0.00392 0.00392 -3.12708 D2 1.07486 0.00046 0.00000 0.00363 0.00363 1.07849 D3 -1.01592 0.00041 0.00000 0.00342 0.00342 -1.01250 D4 -1.05353 -0.00063 0.00000 0.00070 0.00070 -1.05283 D5 -3.13086 -0.00078 0.00000 0.00041 0.00041 -3.13045 D6 1.06154 -0.00083 0.00000 0.00020 0.00020 1.06174 D7 0.98975 0.00038 -0.00002 0.00962 0.00959 0.99935 D8 -1.08758 0.00023 -0.00002 0.00932 0.00930 -1.07827 D9 3.10483 0.00017 -0.00002 0.00911 0.00909 3.11392 D10 -1.07839 0.00046 -0.00002 0.00545 0.00543 -1.07296 D11 3.07532 -0.00027 -0.00002 0.00330 0.00329 3.07861 D12 1.08196 -0.00012 -0.00001 0.00157 0.00156 1.08352 D13 1.57547 0.00017 0.00006 -0.01060 -0.01052 1.56494 D14 -1.44308 -0.00011 -0.00002 -0.00674 -0.00676 -1.44983 D15 -2.57151 -0.00011 0.00006 -0.01142 -0.01135 -2.58285 D16 0.69314 -0.00039 -0.00002 -0.00755 -0.00758 0.68555 D17 -0.51854 0.00001 0.00007 -0.01555 -0.01548 -0.53402 D18 2.74610 -0.00027 -0.00001 -0.01168 -0.01171 2.73439 D19 -3.13014 -0.00119 0.00002 -0.02027 -0.02028 3.13276 D20 0.05222 -0.00145 -0.00002 -0.01665 -0.01666 0.03556 D21 -0.03731 0.00106 0.00005 -0.00660 -0.00654 -0.04385 D22 -3.13813 0.00080 0.00001 -0.00297 -0.00292 -3.14105 D23 3.08937 0.00208 -0.00001 0.02293 0.02293 3.11230 D24 -0.02502 0.00158 -0.00005 0.01363 0.01355 -0.01147 D25 0.00191 -0.00057 -0.00003 0.00766 0.00761 0.00952 D26 -3.11248 -0.00107 -0.00008 -0.00165 -0.00177 -3.11425 D27 -3.08268 0.00005 -0.00004 -0.01814 -0.01809 -3.10077 D28 0.06564 -0.00096 -0.00005 0.01156 0.01151 0.07715 D29 0.01821 0.00030 0.00000 -0.02165 -0.02159 -0.00338 D30 -3.11665 -0.00071 -0.00001 0.00805 0.00801 -3.10864 D31 -3.07746 0.00019 -0.00004 -0.01381 -0.01385 -3.09131 D32 -0.05957 0.00037 0.00004 -0.01795 -0.01790 -0.07747 D33 0.07089 -0.00081 -0.00006 0.01606 0.01607 0.08696 D34 3.08879 -0.00062 0.00003 0.01191 0.01202 3.10080 D35 3.04705 0.00046 0.00005 0.01859 0.01868 3.06573 D36 -0.12511 0.00139 0.00011 0.02963 0.02972 -0.09539 D37 0.03332 -0.00005 -0.00004 0.02256 0.02255 0.05587 D38 -3.13884 0.00088 0.00002 0.03360 0.03360 -3.10525 D39 -0.00180 0.00014 0.00003 -0.01619 -0.01617 -0.01797 D40 3.11265 0.00058 0.00008 -0.00678 -0.00673 3.10593 D41 -3.11021 -0.00089 -0.00003 -0.02802 -0.02806 -3.13827 D42 0.00425 -0.00044 0.00001 -0.01860 -0.01862 -0.01437 D43 2.77018 -0.00196 0.00034 -0.11525 -0.11492 2.65526 D44 -0.37625 -0.00225 0.00033 -0.12913 -0.12880 -0.50505 D45 -0.34275 -0.00248 0.00030 -0.12519 -0.12489 -0.46764 D46 2.79400 -0.00277 0.00029 -0.13907 -0.13876 2.65524 D47 3.13147 -0.00052 -0.00002 -0.02406 -0.02404 3.10743 D48 -0.01269 -0.00112 -0.00008 -0.04026 -0.04025 -0.05295 D49 -0.00553 -0.00024 -0.00001 -0.01089 -0.01091 -0.01643 D50 3.13350 -0.00084 -0.00007 -0.02709 -0.02713 3.10637 D51 -3.13026 0.00041 0.00003 0.02059 0.02069 -3.10957 D52 0.00845 0.00045 0.00000 0.01796 0.01802 0.02647 D53 0.00666 0.00013 0.00002 0.00716 0.00719 0.01384 D54 -3.13782 0.00017 -0.00001 0.00453 0.00452 -3.13330 D55 0.01209 0.00003 -0.00006 0.00906 0.00901 0.02110 D56 -3.13912 -0.00009 -0.00003 -0.00455 -0.00461 3.13945 D57 -3.12701 0.00062 -0.00000 0.02480 0.02489 -3.10213 D58 0.00496 0.00049 0.00003 0.01120 0.01127 0.01623 D59 -0.01870 0.00025 0.00012 -0.00293 -0.00282 -0.02152 D60 3.13402 -0.00029 -0.00009 -0.02208 -0.02211 3.11191 D61 3.13259 0.00037 0.00008 0.01072 0.01078 -3.13982 D62 0.00212 -0.00016 -0.00012 -0.00843 -0.00852 -0.00640 D63 0.01998 -0.00036 -0.00010 -0.00081 -0.00093 0.01905 D64 -3.09991 -0.00079 -0.00021 -0.00611 -0.00634 -3.10624 D65 -3.13302 0.00022 0.00011 0.01875 0.01890 -3.11412 D66 0.03028 -0.00021 0.00000 0.01345 0.01350 0.04378 D67 -1.52286 -0.00015 0.00023 0.03357 0.03379 -1.48908 D68 0.57435 0.00102 0.00038 0.02838 0.02877 0.60312 D69 2.58755 0.00139 0.00046 0.03228 0.03274 2.62030 D70 1.63051 -0.00074 0.00002 0.01332 0.01332 1.64383 D71 -2.55546 0.00043 0.00016 0.00813 0.00830 -2.54716 D72 -0.54226 0.00080 0.00024 0.01204 0.01228 -0.52998 D73 -0.01449 0.00017 0.00004 -0.00146 -0.00140 -0.01589 D74 3.12996 0.00013 0.00006 0.00114 0.00124 3.13119 D75 3.10565 0.00059 0.00014 0.00383 0.00398 3.10964 D76 -0.03308 0.00055 0.00017 0.00643 0.00662 -0.02646 D77 -1.22931 -0.00002 0.00031 0.06578 0.06609 -1.16322 D78 0.90152 0.00089 0.00019 0.08349 0.08367 0.98519 D79 2.91370 0.00060 0.00027 0.08150 0.08178 2.99548 D80 2.94781 -0.00032 0.00017 0.07601 0.07619 3.02400 D81 -1.20455 0.00059 0.00005 0.09373 0.09377 -1.11078 D82 0.80763 0.00030 0.00013 0.09173 0.09188 0.89951 D83 0.93807 -0.00063 0.00009 0.06784 0.06792 1.00600 D84 3.06890 0.00028 -0.00003 0.08555 0.08550 -3.12878 D85 -1.20210 -0.00001 0.00005 0.08355 0.08361 -1.11849 D86 3.09830 0.00066 -0.00005 0.04326 0.04324 3.14154 D87 0.97440 0.00026 -0.00010 0.04302 0.04296 1.01735 D88 -1.05890 0.00051 -0.00003 0.03606 0.03606 -1.02284 D89 0.96810 0.00030 0.00007 0.03138 0.03141 0.99951 D90 -1.15580 -0.00010 0.00003 0.03114 0.03113 -1.12468 D91 3.09408 0.00015 0.00009 0.02418 0.02423 3.11832 D92 -1.05335 0.00012 -0.00001 0.02858 0.02858 -1.02477 D93 3.10594 -0.00028 -0.00005 0.02834 0.02830 3.13423 D94 1.07264 -0.00003 0.00002 0.02138 0.02140 1.09404 D95 1.00246 -0.00000 0.00002 -0.00027 -0.00025 1.00221 D96 -1.01995 -0.00006 0.00003 -0.00635 -0.00632 -1.02627 D97 3.13353 -0.00003 0.00002 -0.00187 -0.00184 3.13169 D98 3.13466 0.00007 0.00002 -0.00018 -0.00017 3.13449 D99 1.11225 0.00001 0.00002 -0.00627 -0.00624 1.10601 D100 -1.01745 0.00004 0.00002 -0.00178 -0.00176 -1.01921 D101 -1.12418 -0.00001 0.00000 0.00428 0.00428 -1.11990 D102 3.13660 -0.00007 0.00001 -0.00180 -0.00179 3.13481 D103 1.00689 -0.00004 0.00001 0.00269 0.00269 1.00958 D104 1.04421 -0.00022 0.00000 -0.00165 -0.00165 1.04256 D105 -1.05158 0.00002 0.00000 0.00005 0.00006 -1.05152 D106 3.13795 -0.00010 0.00000 -0.00085 -0.00085 3.13710 D107 -3.10817 -0.00002 0.00001 -0.00122 -0.00121 -3.10938 D108 1.07923 0.00022 0.00001 0.00048 0.00049 1.07972 D109 -1.01443 0.00011 0.00001 -0.00042 -0.00041 -1.01484 D110 -1.08495 -0.00012 -0.00000 0.00361 0.00360 -1.08134 D111 3.10245 0.00012 -0.00000 0.00531 0.00531 3.10776 D112 1.00879 0.00000 -0.00000 0.00441 0.00441 1.01320 Item Value Threshold Converged? Maximum Force 0.004952 0.000450 NO RMS Force 0.001117 0.000300 NO Maximum Displacement 0.338400 0.001800 NO RMS Displacement 0.085035 0.001200 NO Predicted change in Energy=-1.079204D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.016844 -4.734196 2.412778 2 6 0 7.190262 -3.647787 3.458986 3 8 0 6.746555 -5.977190 2.987830 4 8 0 2.883130 -3.400551 -0.868300 5 6 0 3.712866 -3.735995 -0.078843 6 7 0 5.042669 -3.451263 -0.353295 7 6 0 6.156278 -3.720845 0.387918 8 8 0 7.253519 -3.383845 0.055163 9 7 0 5.895801 -4.449978 1.518790 10 6 0 4.609587 -4.772093 1.882305 11 6 0 3.509998 -4.480996 1.176015 12 1 0 7.888278 -4.792372 1.783830 13 1 0 7.383599 -2.696386 2.982319 14 1 0 8.035003 -3.881746 4.098250 15 1 0 5.209549 -2.945858 -1.198818 16 1 0 4.567224 -5.311710 2.804325 17 6 0 2.158144 -4.912090 1.630736 18 1 0 6.304960 -3.565539 4.077786 19 1 0 7.467544 -6.240130 3.536618 20 6 0 2.015780 -6.039086 2.430445 21 6 0 0.777799 -6.438423 2.899333 22 6 0 -0.379231 -5.746944 2.572516 23 6 0 -0.234314 -4.618969 1.773764 24 6 0 0.997432 -4.211836 1.304024 25 1 0 2.872680 -6.636637 2.687463 26 1 0 0.709939 -7.320141 3.515730 27 6 0 -1.722478 -6.235994 3.073088 28 1 0 -1.098035 -4.028969 1.519133 29 1 0 1.053430 -3.341299 0.684247 30 6 0 -2.381088 -7.312565 2.188284 31 6 0 -2.814331 -6.844843 0.799085 32 1 0 -1.577339 -6.664463 4.058030 33 1 0 -2.395016 -5.392701 3.201870 34 1 0 -1.692295 -8.148006 2.087604 35 1 0 -3.252447 -7.690349 2.715725 36 6 0 -3.459051 -7.958024 -0.026557 37 1 0 -1.957758 -6.456663 0.258937 38 1 0 -3.522291 -6.023748 0.900232 39 1 0 -4.315419 -8.358964 0.510398 40 1 0 -2.752820 -8.776581 -0.135513 41 6 0 -3.904420 -7.487696 -1.409162 42 1 0 -3.065349 -7.110502 -1.984763 43 1 0 -4.638028 -6.690956 -1.336568 44 1 0 -4.353161 -8.298073 -1.972736 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518193 0.000000 3 O 1.395984 2.417640 0.000000 4 O 5.443498 6.110475 6.036129 0.000000 5 C 4.256859 4.961481 4.861142 1.193410 0.000000 6 N 3.632416 4.379984 4.521797 2.220678 1.387362 7 C 2.422295 3.241283 3.492715 3.520535 2.487640 8 O 2.727235 3.414627 3.947529 4.466918 3.560644 9 N 1.461757 2.466475 2.283470 3.984429 2.797750 10 C 2.465304 3.226432 2.690924 3.525281 2.392428 11 C 3.727152 4.410276 3.999571 2.395735 1.473380 12 H 1.076270 2.145565 2.038858 5.832877 4.692498 13 H 2.147454 1.081551 3.342084 5.964674 4.891399 14 H 2.145725 1.084888 2.698891 7.172165 6.012505 15 H 4.416797 5.109898 5.392530 2.393369 2.029463 16 H 2.547051 3.174516 2.286050 4.469549 3.394917 17 C 4.924449 5.501197 4.902005 3.009242 2.592879 18 H 2.155177 1.083253 2.683108 6.016635 4.901588 19 H 1.932352 2.608287 0.943468 6.963000 5.782721 20 C 5.168528 5.792362 4.763899 4.312294 3.805372 21 C 6.485893 7.015735 5.987204 5.277892 4.978681 22 C 7.466800 7.905031 7.141591 5.290347 5.274360 23 C 7.280172 7.675122 7.214656 4.264212 4.448823 24 C 6.142924 6.581273 6.245325 2.988818 3.084206 25 H 4.568241 5.307540 3.941065 4.807890 4.095373 26 H 6.905118 7.448757 6.206684 6.269422 5.897849 27 C 8.891972 9.288954 8.473416 6.692228 6.762221 28 H 8.194340 8.520809 8.215243 4.684487 5.077808 29 H 6.363198 6.741945 6.683269 2.400357 2.794762 30 C 9.747795 10.327440 9.259393 7.235921 7.420781 31 C 10.183851 10.834579 9.846520 6.863263 7.282856 32 H 8.960623 9.291395 8.420504 7.403893 7.326385 33 H 9.467809 9.746198 9.162738 6.956563 7.128392 34 H 9.359965 10.051492 8.759968 7.225664 7.305827 35 H 10.690601 11.222518 10.148349 8.300175 8.483048 36 C 11.228882 12.005624 10.824261 7.855084 8.322539 37 H 9.388792 10.090410 9.134650 5.834782 6.298580 38 H 10.724929 11.267262 10.478999 7.144108 7.651137 39 H 12.048990 12.777717 11.583513 8.849055 9.282909 40 H 10.875707 11.751163 10.384122 7.823210 8.198525 41 C 11.893822 12.709671 11.621465 7.941544 8.594653 42 H 11.253257 12.116201 11.058233 7.098917 7.807946 43 H 12.398490 13.121229 12.199123 8.222765 8.947128 44 H 12.696888 13.578636 12.377294 8.807350 9.458339 6 7 8 9 10 6 N 0.000000 7 C 1.364622 0.000000 8 O 2.249275 1.195087 0.000000 9 N 2.286912 1.370530 2.263237 0.000000 10 C 2.632501 2.393860 3.500865 1.374863 0.000000 11 C 2.397544 2.863865 4.058817 2.410500 1.338910 12 H 3.803073 2.469122 2.318438 2.038981 3.280232 13 H 4.144407 3.047417 3.009612 2.725903 3.635070 14 H 5.381043 4.161978 4.147912 3.398924 4.175715 15 H 0.999096 2.003654 2.437645 3.180992 3.631585 16 H 3.695656 3.300752 4.300086 2.039682 1.069159 17 C 3.793532 4.353014 5.548045 3.767779 2.468291 18 H 4.608786 3.696126 4.136939 2.738266 3.024929 19 H 5.365559 4.240346 4.508292 3.121963 3.613835 20 C 4.858816 5.166224 6.334522 4.290797 2.938292 21 C 6.139367 6.528435 7.704200 5.661604 4.300419 22 C 6.574764 7.182647 8.377360 6.493726 5.129818 23 C 5.808138 6.600519 7.781180 6.137742 4.847536 24 C 4.437242 5.262510 6.433027 4.908854 3.700805 25 H 4.909345 4.956991 6.058168 3.909799 2.672386 26 H 6.979263 7.238835 8.383816 6.254499 4.936383 27 C 8.078493 8.695453 9.889952 7.977711 6.607271 28 H 6.445772 7.348445 8.503402 7.006496 5.767242 29 H 4.123423 5.125517 6.232067 5.037280 4.016064 30 C 8.745367 9.435485 10.621238 8.783480 7.444270 31 C 8.635787 9.507904 10.672091 9.061994 7.783586 32 H 8.579566 9.052261 10.235695 8.197530 6.825899 33 H 8.469211 9.156312 10.345602 8.512293 7.154779 34 H 8.566045 9.169994 10.337100 8.460388 7.152109 35 H 9.808042 10.473764 11.661898 9.778706 8.427478 36 C 9.627923 10.515703 11.648559 10.109784 8.882389 37 H 7.642856 8.563814 9.712433 8.203195 6.971594 38 H 9.030368 9.961953 11.126603 9.568689 8.286045 39 H 10.602137 11.453540 12.601562 10.980256 9.716146 40 H 9.443310 10.257020 11.368587 9.810956 8.620473 41 C 9.872085 10.892029 11.978541 10.669816 9.523475 42 H 9.043875 10.107313 11.159224 9.982759 8.906571 43 H 10.255649 11.327508 12.421062 11.141661 9.978054 44 H 10.695596 11.703504 12.766245 11.490857 10.374234 11 12 13 14 15 11 C 0.000000 12 H 4.431222 0.000000 13 H 4.631669 2.466624 0.000000 14 H 5.419799 2.491447 1.753484 0.000000 15 H 3.299235 4.413772 4.719178 6.076019 0.000000 16 H 2.111683 3.512908 3.847541 3.967938 4.694144 17 C 1.490008 5.733429 5.834510 6.456601 4.602556 18 H 4.131604 3.045365 1.766051 1.758822 5.424618 19 H 4.932461 2.311988 3.587815 2.489863 6.194766 20 C 2.496783 6.038098 6.347573 6.608080 5.739318 21 C 3.777070 7.383274 7.592517 7.787233 6.973755 22 C 4.321914 8.359721 8.350771 8.752494 7.300925 23 C 3.794234 8.124449 7.949184 8.621388 6.424266 24 C 2.530182 6.931882 6.774688 7.579186 5.060519 25 H 2.708770 5.419786 5.996741 6.019079 5.846878 26 H 4.623347 7.804975 8.136422 8.112856 7.849063 27 C 5.835899 9.803717 9.770246 10.089692 8.782208 28 H 4.642847 9.022564 8.709467 9.491359 6.953129 29 H 2.752358 7.073178 6.765212 7.790370 4.579917 30 C 6.614179 10.581816 10.829991 11.131641 9.389268 31 C 6.762173 10.942038 11.223813 11.720600 9.142010 32 H 6.241357 9.913355 9.859067 10.007110 9.355444 33 H 6.309080 10.397950 10.145917 10.576945 9.120445 34 H 6.429760 10.155784 10.625090 10.810365 9.246533 35 H 7.642075 11.549132 11.753136 11.992637 10.461320 36 C 7.880580 11.918923 12.421804 12.874134 10.081697 37 H 5.885631 10.101465 10.431560 11.010259 8.113020 38 H 7.204806 11.510782 11.590723 12.181400 9.493389 39 H 8.758928 12.777809 13.230351 13.618042 11.088198 40 H 7.706818 11.523488 12.224428 12.580194 9.926090 41 C 8.408150 12.511103 13.025404 13.633938 10.185135 42 H 7.754998 11.813465 12.382925 13.063143 9.297091 43 H 8.808367 13.047982 13.383904 14.072477 10.536580 44 H 9.290531 13.276089 13.917004 14.485420 10.985926 16 17 18 19 20 16 H 0.000000 17 C 2.709367 0.000000 18 H 2.773183 4.999733 0.000000 19 H 3.132105 5.795327 2.966126 0.000000 20 C 2.679314 1.389216 5.218163 5.566486 0.000000 21 C 3.954522 2.417516 6.339694 6.722957 1.382724 22 C 4.970973 2.832349 7.190464 7.921150 2.416942 23 C 4.959507 2.414588 7.012869 8.065634 2.740600 24 C 4.025424 1.394399 6.023397 7.138684 2.375857 25 H 2.154197 2.145063 4.810944 4.689462 1.075827 26 H 4.406646 3.383667 6.761449 6.843397 2.127009 27 C 6.362931 4.346531 8.519420 9.201706 3.798202 28 H 5.949142 3.375657 7.846388 9.073513 3.816661 29 H 4.552362 2.140939 6.256593 7.594742 3.354606 30 C 7.256856 5.165052 9.646649 9.998184 4.583977 31 C 7.801207 5.399322 10.230600 10.657238 5.161449 32 H 6.415401 4.787108 8.469614 9.069832 3.993825 33 H 6.974051 4.840528 8.932823 9.904559 4.524161 34 H 6.909402 5.050323 9.429524 9.467962 4.279593 35 H 8.173923 6.178221 10.498251 10.848742 5.528315 36 C 8.912797 6.601303 11.466274 11.620579 6.300235 37 H 7.096852 4.605235 9.550640 9.981303 4.547398 38 H 8.341031 5.834103 10.616708 11.303709 5.745609 39 H 9.666912 7.419104 12.185878 12.348509 7.010885 40 H 8.615742 6.493958 11.267219 11.152308 6.067749 41 C 9.708611 7.254613 12.236068 12.463496 7.203460 42 H 9.188426 6.722330 11.709993 11.924136 6.816148 43 H 10.187540 7.626087 12.602874 13.057414 7.673884 44 H 10.550447 8.176000 13.137778 13.202923 8.065633 21 22 23 24 25 21 C 0.000000 22 C 1.386965 0.000000 23 C 2.366790 1.389724 0.000000 24 C 2.747897 2.420915 1.379714 0.000000 25 H 2.114877 3.373380 3.815658 3.363052 0.000000 26 H 1.077950 2.133282 3.349984 3.825683 2.414675 27 C 2.514469 1.514614 2.552969 3.824228 4.628683 28 H 3.350996 2.139563 1.076545 2.114402 4.891984 29 H 3.817690 3.377159 2.116074 1.070091 4.264012 30 C 3.353846 2.570260 3.469283 4.670207 5.320539 31 C 4.180863 3.206267 3.544150 4.660174 5.995950 32 H 2.634454 2.117559 3.347482 4.497708 4.656383 33 H 3.354373 2.141253 2.703106 4.062630 5.436968 34 H 3.111743 2.779277 3.831229 4.831363 4.845934 35 H 4.224205 3.471700 4.407924 5.670486 6.215166 36 C 5.368511 4.596667 4.978892 5.971985 7.014470 37 H 3.802013 2.889308 2.939742 3.855464 5.409553 38 H 4.760161 3.570991 3.680659 4.886099 6.668244 39 H 5.944439 5.154469 5.677946 6.786375 7.705504 40 H 5.209851 4.705959 5.222447 6.080588 6.647918 41 C 6.448820 5.595618 5.641834 6.490053 7.964655 42 H 6.251069 5.462903 5.324379 5.977003 7.570629 43 H 6.880248 5.857427 5.775811 6.699042 8.520946 44 H 7.315880 6.554364 6.673602 7.487545 8.757317 26 27 28 29 30 26 H 0.000000 27 C 2.699622 0.000000 28 H 4.252879 2.770499 0.000000 29 H 4.895555 4.668135 2.408054 0.000000 30 C 3.364018 1.541314 3.588313 5.461592 0.000000 31 C 4.475103 2.594981 3.375394 5.219921 1.528509 32 H 2.440419 1.083864 3.690740 5.417267 2.135883 33 H 3.668007 1.086294 2.524585 4.736925 2.171043 34 H 2.914728 2.151251 4.200330 5.710766 1.087444 35 H 4.059257 2.140948 4.413505 6.448388 1.086361 36 C 5.507737 3.948274 4.837460 6.494757 2.546398 37 H 4.297547 2.832578 2.867214 4.353577 2.152710 38 H 5.141326 2.829430 3.199874 5.308427 2.149994 39 H 5.946881 4.218735 5.487983 7.350627 2.766205 40 H 5.238654 4.220344 5.293013 6.685943 2.771563 41 C 6.750922 5.139863 5.330432 6.793765 3.910605 42 H 6.674741 5.305650 5.063936 6.188282 4.233599 43 H 7.248546 5.305891 5.269986 6.906271 4.231401 44 H 7.530909 6.052520 6.404236 7.801306 4.708969 31 32 33 34 35 31 C 0.000000 32 H 3.490474 0.000000 33 H 2.838647 1.737522 0.000000 34 H 2.148832 2.469149 3.054032 0.000000 35 H 2.140172 2.379120 2.500142 1.743003 0.000000 36 C 1.528568 4.679529 4.258613 2.761737 2.763050 37 H 1.084509 3.823743 3.159757 2.505022 3.038751 38 H 1.088869 3.763647 2.639414 3.044866 2.479191 39 H 2.151550 4.791045 4.441923 3.068038 2.537799 40 H 2.146828 4.840310 4.766214 2.542060 3.091777 41 C 2.545174 5.998601 5.284782 4.190093 4.181008 42 H 2.807738 6.239268 5.504666 4.421070 4.739812 43 H 2.812573 6.202435 5.226278 4.746081 4.397692 44 H 3.487530 6.836959 6.249165 4.856859 4.854129 36 37 38 39 40 36 C 0.000000 37 H 2.142305 0.000000 38 H 2.145778 1.745405 0.000000 39 H 1.087400 3.039826 2.496850 0.000000 40 H 1.086586 2.483895 3.040221 1.741643 0.000000 41 C 1.526813 2.763164 2.760882 2.147728 2.146995 42 H 2.169762 2.586203 3.116573 3.057312 2.508629 43 H 2.170616 3.127998 2.587144 2.509503 3.057183 44 H 2.168566 3.756209 3.757239 2.484167 2.483032 41 42 43 44 41 C 0.000000 42 H 1.085188 0.000000 43 H 1.085470 1.751998 0.000000 44 H 1.084295 1.751837 1.751766 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.738193 -1.016527 0.623831 2 6 0 -5.304378 -1.584714 -0.665164 3 8 0 -4.153019 -2.003407 1.419074 4 8 0 -0.959088 2.710603 -0.583865 5 6 0 -1.707129 1.815895 -0.330572 6 7 0 -3.037253 2.116076 -0.074773 7 6 0 -4.071514 1.277781 0.224829 8 8 0 -5.191580 1.662202 0.385784 9 7 0 -3.689923 -0.030982 0.365832 10 6 0 -2.396726 -0.429639 0.123016 11 6 0 -1.384801 0.383772 -0.204169 12 1 0 -5.503684 -0.496073 1.172929 13 1 0 -5.736687 -0.794926 -1.264411 14 1 0 -6.085841 -2.302961 -0.440624 15 1 0 -3.284187 3.080946 -0.153780 16 1 0 -2.263752 -1.483864 0.241463 17 6 0 -0.003397 -0.137247 -0.405137 18 1 0 -4.532114 -2.086096 -1.235830 19 1 0 -4.801382 -2.643135 1.665050 20 6 0 0.408850 -1.294348 0.243776 21 6 0 1.671370 -1.821757 0.044260 22 6 0 2.590574 -1.206554 -0.792555 23 6 0 2.175534 -0.050087 -1.441908 24 6 0 0.916688 0.481324 -1.250810 25 1 0 -0.247558 -1.795929 0.932941 26 1 0 1.953165 -2.720444 0.568599 27 6 0 3.977670 -1.792179 -0.957069 28 1 0 2.840508 0.446759 -2.127403 29 1 0 0.649764 1.379482 -1.767684 30 6 0 4.990739 -1.347503 0.116059 31 6 0 5.366362 0.133899 0.089682 32 1 0 3.894421 -2.871467 -0.902577 33 1 0 4.356858 -1.563816 -1.949088 34 1 0 4.591664 -1.599671 1.095693 35 1 0 5.893597 -1.937782 -0.012779 36 6 0 6.372749 0.509425 1.177194 37 1 0 4.475417 0.740522 0.209623 38 1 0 5.787920 0.381122 -0.883358 39 1 0 7.267538 -0.099045 1.069698 40 1 0 5.952658 0.270462 2.150380 41 6 0 6.758649 1.986256 1.142401 42 1 0 5.890255 2.622369 1.279827 43 1 0 7.213985 2.251932 0.193545 44 1 0 7.468902 2.223998 1.926438 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5956800 0.1061544 0.0965094 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.1781282779 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.72D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999944 0.010547 -0.000113 0.000199 Ang= 1.21 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.113746028 A.U. after 13 cycles NFock= 13 Conv=0.66D-08 -V/T= 2.0011 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000250301 -0.001991670 -0.000686692 2 6 0.000693945 -0.000400201 0.000532334 3 8 -0.005014403 0.000255280 -0.002049831 4 8 -0.005631217 0.002003520 0.000401629 5 6 0.003593163 -0.006683263 -0.000857996 6 7 0.002309100 0.005420375 -0.001235060 7 6 -0.005983263 -0.009269361 -0.002691722 8 8 0.004639138 0.004514520 -0.000237971 9 7 0.001883198 0.003713532 0.002326573 10 6 0.001011647 -0.000402753 0.002490566 11 6 -0.000452240 0.001861366 0.000187089 12 1 0.000906687 0.000687059 -0.000680193 13 1 0.000218482 0.001065998 -0.000387639 14 1 0.000747710 0.000215978 0.000905604 15 1 -0.000595347 -0.000318992 0.000429976 16 1 -0.002144796 0.001035102 -0.000277313 17 6 -0.000067056 0.001239681 -0.002601732 18 1 -0.000841608 0.000046336 0.000484223 19 1 0.003669569 -0.000698285 0.002480593 20 6 -0.000037471 -0.004456063 0.002120573 21 6 0.000571610 -0.003208225 -0.000307356 22 6 0.000824366 0.000469889 0.000375920 23 6 -0.005229962 0.000243485 0.001584900 24 6 0.004843505 0.002875860 0.000076055 25 1 -0.000484000 0.000074064 -0.000796900 26 1 0.000796676 0.000712370 -0.000312678 27 6 0.000806983 0.000432445 -0.001708692 28 1 -0.000637083 -0.001206284 -0.000572426 29 1 0.000738693 0.000573321 -0.000630810 30 6 0.000586141 0.001452457 0.000207106 31 6 -0.000081745 0.000195453 0.000904375 32 1 -0.000703600 0.000104232 0.002112379 33 1 -0.001044830 -0.000233464 -0.001501006 34 1 -0.000058554 -0.000358910 0.000158367 35 1 -0.000628205 -0.000952912 0.000965399 36 6 -0.000234154 0.000492670 0.000064917 37 1 0.000688610 0.001143772 -0.000570535 38 1 0.000444681 0.000861971 0.000016980 39 1 -0.000294603 -0.000448007 0.000307222 40 1 0.000315905 -0.000955599 -0.000018795 41 6 -0.000074576 -0.000149115 -0.000325488 42 1 0.000653869 0.000259331 -0.000258841 43 1 -0.000461044 0.000533989 0.000242130 44 1 -0.000494221 -0.000750950 -0.000665233 ------------------------------------------------------------------- Cartesian Forces: Max 0.009269361 RMS 0.002020313 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005598615 RMS 0.001292409 Search for a local minimum. Step number 15 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 9 11 13 10 14 15 DE= -1.32D-03 DEPred=-1.08D-03 R= 1.22D+00 TightC=F SS= 1.41D+00 RLast= 3.93D-01 DXNew= 4.6425D-01 1.1787D+00 Trust test= 1.22D+00 RLast= 3.93D-01 DXMaxT set to 4.64D-01 ITU= 1 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00233 0.00271 0.00289 0.00301 Eigenvalues --- 0.00376 0.00643 0.01427 0.01455 0.01504 Eigenvalues --- 0.01515 0.01538 0.01699 0.01812 0.01875 Eigenvalues --- 0.01886 0.02032 0.02094 0.02106 0.02132 Eigenvalues --- 0.02388 0.02438 0.02464 0.02476 0.02616 Eigenvalues --- 0.02735 0.03439 0.03452 0.03655 0.04304 Eigenvalues --- 0.04685 0.04774 0.04820 0.05167 0.05291 Eigenvalues --- 0.05428 0.05435 0.05483 0.05563 0.05632 Eigenvalues --- 0.06256 0.08324 0.08336 0.08644 0.08776 Eigenvalues --- 0.09755 0.12187 0.12234 0.12367 0.13095 Eigenvalues --- 0.15003 0.15815 0.15979 0.15997 0.16000 Eigenvalues --- 0.16000 0.16001 0.16004 0.16012 0.16036 Eigenvalues --- 0.16114 0.16218 0.16706 0.18006 0.19824 Eigenvalues --- 0.20396 0.21563 0.21952 0.21993 0.22345 Eigenvalues --- 0.22713 0.23059 0.23804 0.24235 0.24425 Eigenvalues --- 0.24928 0.24991 0.25185 0.26147 0.26804 Eigenvalues --- 0.28209 0.28376 0.28912 0.29190 0.30517 Eigenvalues --- 0.30956 0.31629 0.32537 0.33041 0.33536 Eigenvalues --- 0.33560 0.33677 0.33694 0.33700 0.33722 Eigenvalues --- 0.33735 0.33745 0.33760 0.33778 0.33784 Eigenvalues --- 0.33847 0.33881 0.34152 0.34783 0.36159 Eigenvalues --- 0.37655 0.37843 0.38314 0.38611 0.39105 Eigenvalues --- 0.40249 0.43564 0.44465 0.47779 0.49682 Eigenvalues --- 0.50620 0.51584 0.52063 0.54198 0.55103 Eigenvalues --- 0.56237 0.57031 0.59072 0.81579 0.89490 Eigenvalues --- 0.93296 RFO step: Lambda=-1.88424991D-03 EMin= 2.30092401D-03 Quartic linear search produced a step of 0.48132. Iteration 1 RMS(Cart)= 0.14107430 RMS(Int)= 0.00316653 Iteration 2 RMS(Cart)= 0.00655077 RMS(Int)= 0.00005734 Iteration 3 RMS(Cart)= 0.00001651 RMS(Int)= 0.00005696 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00005696 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86897 0.00182 -0.00052 0.00390 0.00338 2.87235 R2 2.63803 0.00083 0.00003 0.00235 0.00238 2.64041 R3 2.76232 0.00101 0.00006 -0.00188 -0.00182 2.76050 R4 2.03386 0.00109 -0.00030 0.00179 0.00149 2.03535 R5 2.04384 0.00115 -0.00042 0.00152 0.00110 2.04494 R6 2.05014 0.00107 -0.00032 0.00128 0.00096 2.05111 R7 2.04705 0.00097 -0.00028 0.00132 0.00104 2.04809 R8 1.78290 0.00444 0.00021 0.00418 0.00438 1.78728 R9 2.25522 0.00421 -0.00116 0.00216 0.00100 2.25622 R10 2.62173 0.00162 0.00017 -0.00160 -0.00141 2.62033 R11 2.78429 -0.00159 0.00217 -0.00148 0.00063 2.78491 R12 2.57876 0.00111 0.00202 0.00263 0.00472 2.58348 R13 1.88802 -0.00062 0.00060 -0.00047 0.00013 1.88815 R14 2.25839 0.00560 -0.00089 0.00328 0.00238 2.26077 R15 2.58993 0.00254 0.00096 0.00116 0.00218 2.59211 R16 2.59811 0.00207 0.00079 0.00468 0.00546 2.60357 R17 2.53017 0.00030 -0.00135 -0.00126 -0.00268 2.52750 R18 2.02042 -0.00068 0.00144 0.00014 0.00157 2.02199 R19 2.81571 -0.00071 -0.00123 -0.00203 -0.00326 2.81245 R20 2.62524 0.00438 -0.00071 0.00605 0.00534 2.63058 R21 2.63503 -0.00067 0.00107 -0.00132 -0.00026 2.63477 R22 2.61297 0.00056 0.00143 0.00076 0.00220 2.61517 R23 2.03302 -0.00062 0.00091 0.00022 0.00113 2.03415 R24 2.62098 0.00282 0.00069 0.00391 0.00461 2.62560 R25 2.03703 -0.00081 0.00061 -0.00055 0.00006 2.03709 R26 2.62620 -0.00004 0.00133 0.00058 0.00191 2.62811 R27 2.86221 -0.00003 -0.00019 0.00043 0.00024 2.86245 R28 2.60728 0.00388 0.00005 0.00570 0.00575 2.61303 R29 2.03438 -0.00001 0.00088 0.00004 0.00092 2.03530 R30 2.02218 0.00087 0.00064 0.00135 0.00198 2.02416 R31 2.91266 -0.00167 0.00364 -0.00002 0.00362 2.91628 R32 2.04821 0.00178 -0.00113 0.00153 0.00039 2.04860 R33 2.05280 0.00029 0.00003 -0.00004 -0.00001 2.05278 R34 2.88846 0.00051 0.00174 0.00144 0.00318 2.89164 R35 2.05497 0.00022 0.00018 0.00013 0.00031 2.05528 R36 2.05293 0.00130 -0.00111 0.00171 0.00060 2.05352 R37 2.88857 0.00134 0.00127 0.00340 0.00467 2.89324 R38 2.04943 0.00124 -0.00131 0.00058 -0.00072 2.04870 R39 2.05766 0.00036 -0.00014 0.00031 0.00017 2.05783 R40 2.05489 0.00055 -0.00026 0.00034 0.00009 2.05497 R41 2.05335 0.00093 -0.00064 0.00092 0.00028 2.05363 R42 2.88526 0.00099 0.00019 0.00244 0.00263 2.88789 R43 2.05071 0.00073 -0.00027 0.00086 0.00059 2.05130 R44 2.05124 0.00072 -0.00028 0.00090 0.00062 2.05186 R45 2.04902 0.00111 -0.00007 0.00147 0.00141 2.05042 A1 1.95564 -0.00037 -0.00014 -0.00192 -0.00206 1.95358 A2 1.94971 0.00088 0.00212 0.00364 0.00576 1.95547 A3 1.92719 -0.00044 -0.00030 -0.00306 -0.00339 1.92380 A4 1.85102 -0.00067 -0.00228 -0.00127 -0.00354 1.84748 A5 1.92769 0.00072 -0.00186 0.00140 -0.00046 1.92722 A6 1.84842 -0.00009 0.00253 0.00155 0.00408 1.85250 A7 1.92430 0.00008 0.00018 0.00017 0.00035 1.92465 A8 1.91843 0.00080 -0.00020 0.00238 0.00218 1.92062 A9 1.93332 -0.00029 0.00025 -0.00151 -0.00125 1.93206 A10 1.88621 -0.00035 0.00012 -0.00026 -0.00014 1.88607 A11 1.90823 -0.00002 -0.00042 -0.00074 -0.00116 1.90707 A12 1.89244 -0.00023 0.00005 -0.00003 0.00002 1.89246 A13 1.91750 -0.00109 0.00028 -0.00371 -0.00343 1.91407 A14 2.06903 0.00349 0.00215 0.00819 0.01038 2.07941 A15 2.22660 -0.00418 0.00048 -0.00895 -0.00842 2.21818 A16 1.98694 0.00075 -0.00235 0.00040 -0.00210 1.98484 A17 2.25778 -0.00212 0.00210 -0.00499 -0.00289 2.25489 A18 2.01677 0.00059 0.00020 0.00354 0.00372 2.02049 A19 2.00788 0.00154 -0.00235 0.00129 -0.00108 2.00680 A20 2.14397 -0.00132 -0.00111 -0.00322 -0.00474 2.13923 A21 1.98033 0.00182 -0.00183 0.00662 0.00449 1.98482 A22 2.15827 -0.00041 0.00265 -0.00141 0.00083 2.15910 A23 2.05141 0.00172 0.00072 0.00242 0.00314 2.05456 A24 2.10622 -0.00047 -0.00129 0.00050 -0.00079 2.10543 A25 2.11836 -0.00120 0.00036 -0.00204 -0.00169 2.11667 A26 2.18694 -0.00111 -0.00021 -0.00496 -0.00533 2.18160 A27 1.96420 0.00268 -0.00203 0.01073 0.00876 1.97295 A28 2.13188 -0.00156 0.00235 -0.00571 -0.00331 2.12857 A29 2.03323 0.00195 0.00142 0.00635 0.00745 2.04068 A30 2.13073 -0.00489 0.00123 -0.00306 -0.00182 2.12891 A31 2.11908 0.00294 -0.00256 -0.00296 -0.00551 2.11356 A32 2.09829 0.00374 -0.00404 -0.00325 -0.00729 2.09099 A33 2.13937 -0.00493 0.00314 -0.00193 0.00120 2.14057 A34 2.04539 0.00119 0.00084 0.00531 0.00612 2.05151 A35 2.11911 -0.00077 -0.00101 -0.00310 -0.00415 2.11496 A36 2.10191 0.00020 -0.00272 -0.00599 -0.00875 2.09316 A37 2.06202 0.00056 0.00367 0.00900 0.01262 2.07463 A38 2.12117 -0.00079 0.00049 -0.00226 -0.00176 2.11941 A39 2.07888 -0.00034 0.00203 0.00214 0.00415 2.08303 A40 2.08291 0.00113 -0.00261 0.00022 -0.00242 2.08049 A41 2.04103 0.00157 0.00008 0.00512 0.00517 2.04620 A42 2.09553 0.00280 -0.00255 0.00027 -0.00235 2.09318 A43 2.14660 -0.00436 0.00249 -0.00542 -0.00299 2.14361 A44 2.12737 -0.00067 -0.00072 -0.00259 -0.00331 2.12406 A45 2.09106 -0.00050 0.00148 -0.00132 0.00015 2.09121 A46 2.06464 0.00118 -0.00071 0.00395 0.00323 2.06787 A47 2.11201 -0.00052 0.00027 -0.00247 -0.00222 2.10980 A48 2.09519 -0.00046 0.00113 -0.00085 0.00028 2.09546 A49 2.07597 0.00098 -0.00141 0.00336 0.00195 2.07793 A50 1.99848 -0.00032 -0.00186 -0.00434 -0.00621 1.99227 A51 1.88516 0.00064 -0.00346 0.00488 0.00141 1.88657 A52 1.91515 0.00047 0.00135 0.00356 0.00488 1.92002 A53 1.87839 0.00054 0.00100 -0.00055 0.00043 1.87882 A54 1.92382 -0.00129 0.00062 -0.00607 -0.00545 1.91837 A55 1.85673 0.00003 0.00261 0.00327 0.00587 1.86260 A56 2.01432 -0.00226 0.00583 -0.00071 0.00509 2.01941 A57 1.89558 0.00082 -0.00118 -0.00159 -0.00287 1.89271 A58 1.88275 0.00044 -0.00505 -0.00177 -0.00681 1.87594 A59 1.90760 0.00069 0.00405 0.00276 0.00678 1.91438 A60 1.89687 0.00100 -0.00593 -0.00039 -0.00628 1.89059 A61 1.86067 -0.00059 0.00201 0.00188 0.00390 1.86457 A62 1.96884 -0.00043 0.00012 -0.00268 -0.00257 1.96627 A63 1.91593 0.00019 -0.00008 0.00219 0.00211 1.91804 A64 1.90775 -0.00005 -0.00034 -0.00145 -0.00180 1.90595 A65 1.90157 0.00033 0.00009 0.00145 0.00154 1.90311 A66 1.90192 0.00043 -0.00258 0.00072 -0.00187 1.90005 A67 1.86490 -0.00048 0.00295 -0.00010 0.00285 1.86775 A68 1.91130 -0.00011 0.00070 -0.00040 0.00031 1.91161 A69 1.90566 0.00007 -0.00153 0.00039 -0.00114 1.90452 A70 1.96906 0.00030 0.00006 -0.00041 -0.00035 1.96871 A71 1.85836 -0.00013 0.00282 0.00126 0.00408 1.86244 A72 1.90817 -0.00002 -0.00103 -0.00035 -0.00137 1.90680 A73 1.90800 -0.00014 -0.00087 -0.00039 -0.00127 1.90673 A74 1.94104 -0.00021 -0.00005 -0.00081 -0.00086 1.94018 A75 1.94195 -0.00029 0.00015 -0.00125 -0.00110 1.94084 A76 1.94031 0.00028 0.00134 0.00119 0.00253 1.94284 A77 1.87854 0.00017 -0.00070 0.00021 -0.00049 1.87805 A78 1.87977 0.00002 -0.00038 0.00048 0.00010 1.87988 A79 1.87930 0.00003 -0.00044 0.00023 -0.00021 1.87909 D1 -3.12708 0.00037 0.00189 0.00059 0.00248 -3.12460 D2 1.07849 0.00025 0.00175 -0.00068 0.00107 1.07955 D3 -1.01250 0.00020 0.00165 -0.00122 0.00043 -1.01207 D4 -1.05283 -0.00014 0.00034 0.00015 0.00049 -1.05234 D5 -3.13045 -0.00025 0.00020 -0.00112 -0.00092 -3.13138 D6 1.06174 -0.00030 0.00010 -0.00166 -0.00156 1.06018 D7 0.99935 0.00002 0.00462 0.00240 0.00701 1.00636 D8 -1.07827 -0.00010 0.00448 0.00113 0.00560 -1.07267 D9 3.11392 -0.00015 0.00438 0.00059 0.00496 3.11888 D10 -1.07296 0.00027 0.00261 0.00637 0.00899 -1.06397 D11 3.07861 -0.00015 0.00158 0.00387 0.00546 3.08407 D12 1.08352 -0.00004 0.00075 0.00206 0.00280 1.08632 D13 1.56494 0.00022 -0.00507 -0.00533 -0.01038 1.55457 D14 -1.44983 -0.00011 -0.00325 -0.01294 -0.01618 -1.46602 D15 -2.58285 -0.00015 -0.00546 -0.00636 -0.01182 -2.59467 D16 0.68555 -0.00048 -0.00365 -0.01398 -0.01763 0.66793 D17 -0.53402 0.00032 -0.00745 -0.00464 -0.01210 -0.54612 D18 2.73439 -0.00001 -0.00564 -0.01225 -0.01791 2.71648 D19 3.13276 -0.00056 -0.00976 0.00222 -0.00748 3.12528 D20 0.03556 -0.00083 -0.00802 0.00711 -0.00087 0.03468 D21 -0.04385 0.00117 -0.00315 -0.00820 -0.01131 -0.05516 D22 -3.14105 0.00089 -0.00141 -0.00331 -0.00470 3.13743 D23 3.11230 0.00195 0.01104 0.02380 0.03494 -3.13595 D24 -0.01147 0.00133 0.00652 0.00258 0.00909 -0.00238 D25 0.00952 -0.00016 0.00366 0.03491 0.03866 0.04818 D26 -3.11425 -0.00078 -0.00085 0.01370 0.01281 -3.10144 D27 -3.10077 0.00114 -0.00871 0.03645 0.02769 -3.07308 D28 0.07715 -0.00162 0.00554 -0.02281 -0.01724 0.05992 D29 -0.00338 0.00139 -0.01039 0.03163 0.02122 0.01785 D30 -3.10864 -0.00137 0.00386 -0.02763 -0.02370 -3.13234 D31 -3.09131 0.00077 -0.00667 0.01975 0.01305 -3.07826 D32 -0.07747 0.00116 -0.00862 0.02761 0.01897 -0.05850 D33 0.08696 -0.00200 0.00773 -0.04003 -0.03233 0.05463 D34 3.10080 -0.00161 0.00578 -0.03217 -0.02641 3.07439 D35 3.06573 0.00001 0.00899 0.00722 0.01615 3.08188 D36 -0.09539 0.00060 0.01431 0.01028 0.02457 -0.07081 D37 0.05587 -0.00055 0.01085 -0.00103 0.00978 0.06565 D38 -3.10525 0.00004 0.01617 0.00204 0.01820 -3.08704 D39 -0.01797 -0.00007 -0.00778 -0.03225 -0.04005 -0.05802 D40 3.10593 0.00045 -0.00324 -0.01119 -0.01440 3.09153 D41 -3.13827 -0.00076 -0.01350 -0.03577 -0.04931 3.09561 D42 -0.01437 -0.00024 -0.00896 -0.01471 -0.02366 -0.03803 D43 2.65526 -0.00161 -0.05531 -0.11922 -0.17458 2.48068 D44 -0.50505 -0.00148 -0.06199 -0.11052 -0.17255 -0.67760 D45 -0.46764 -0.00224 -0.06011 -0.14156 -0.20163 -0.66927 D46 2.65524 -0.00211 -0.06679 -0.13286 -0.19960 2.45564 D47 3.10743 -0.00011 -0.01157 0.00045 -0.01112 3.09631 D48 -0.05295 -0.00034 -0.01938 -0.00533 -0.02461 -0.07755 D49 -0.01643 -0.00016 -0.00525 -0.00773 -0.01300 -0.02943 D50 3.10637 -0.00040 -0.01306 -0.01350 -0.02649 3.07989 D51 -3.10957 -0.00006 0.00996 -0.00017 0.00985 -3.09972 D52 0.02647 0.00017 0.00867 0.00656 0.01527 0.04175 D53 0.01384 0.00009 0.00346 0.00820 0.01170 0.02554 D54 -3.13330 0.00033 0.00217 0.01494 0.01712 -3.11618 D55 0.02110 -0.00015 0.00434 0.00013 0.00445 0.02555 D56 3.13945 0.00014 -0.00222 0.00533 0.00306 -3.14067 D57 -3.10213 0.00009 0.01198 0.00594 0.01802 -3.08411 D58 0.01623 0.00038 0.00542 0.01113 0.01663 0.03286 D59 -0.02152 0.00044 -0.00136 0.00678 0.00543 -0.01608 D60 3.11191 0.00019 -0.01064 0.00339 -0.00724 3.10467 D61 -3.13982 0.00018 0.00519 0.00154 0.00674 -3.13308 D62 -0.00640 -0.00008 -0.00410 -0.00184 -0.00593 -0.01233 D63 0.01905 -0.00052 -0.00045 -0.00630 -0.00677 0.01228 D64 -3.10624 -0.00079 -0.00305 -0.00950 -0.01257 -3.11881 D65 -3.11412 -0.00029 0.00910 -0.00284 0.00629 -3.10782 D66 0.04378 -0.00057 0.00650 -0.00604 0.00049 0.04427 D67 -1.48908 -0.00037 0.01626 0.02493 0.04116 -1.44791 D68 0.60312 0.00057 0.01385 0.02493 0.03876 0.64188 D69 2.62030 0.00121 0.01576 0.03341 0.04916 2.66946 D70 1.64383 -0.00061 0.00641 0.02138 0.02780 1.67163 D71 -2.54716 0.00033 0.00400 0.02139 0.02540 -2.52176 D72 -0.52998 0.00097 0.00591 0.02986 0.03580 -0.49418 D73 -0.01589 0.00027 -0.00067 -0.00117 -0.00183 -0.01772 D74 3.13119 0.00004 0.00060 -0.00782 -0.00720 3.12400 D75 3.10964 0.00052 0.00192 0.00194 0.00387 3.11350 D76 -0.02646 0.00029 0.00319 -0.00471 -0.00150 -0.02796 D77 -1.16322 0.00057 0.03181 -0.01659 0.01521 -1.14800 D78 0.98519 0.00050 0.04027 -0.01472 0.02553 1.01072 D79 2.99548 0.00046 0.03936 -0.01427 0.02509 3.02057 D80 3.02400 -0.00043 0.03667 -0.01964 0.01704 3.04104 D81 -1.11078 -0.00049 0.04513 -0.01777 0.02735 -1.08343 D82 0.89951 -0.00054 0.04422 -0.01732 0.02691 0.92642 D83 1.00600 -0.00008 0.03269 -0.02000 0.01270 1.01870 D84 -3.12878 -0.00014 0.04115 -0.01813 0.02302 -3.10577 D85 -1.11849 -0.00019 0.04024 -0.01768 0.02258 -1.09591 D86 3.14154 0.00017 0.02081 0.01094 0.03177 -3.10987 D87 1.01735 -0.00010 0.02068 0.00934 0.03004 1.04739 D88 -1.02284 0.00039 0.01736 0.00904 0.02643 -0.99641 D89 0.99951 0.00018 0.01512 0.01138 0.02646 1.02597 D90 -1.12468 -0.00009 0.01498 0.00978 0.02473 -1.09995 D91 3.11832 0.00040 0.01166 0.00949 0.02112 3.13943 D92 -1.02477 -0.00005 0.01376 0.00785 0.02161 -1.00316 D93 3.13423 -0.00032 0.01362 0.00625 0.01988 -3.12908 D94 1.09404 0.00018 0.01030 0.00596 0.01626 1.11031 D95 1.00221 -0.00016 -0.00012 0.00153 0.00141 1.00362 D96 -1.02627 0.00002 -0.00304 0.00002 -0.00302 -1.02929 D97 3.13169 -0.00006 -0.00089 0.00052 -0.00037 3.13133 D98 3.13449 0.00003 -0.00008 0.00356 0.00347 3.13797 D99 1.10601 0.00021 -0.00300 0.00205 -0.00096 1.10506 D100 -1.01921 0.00013 -0.00085 0.00255 0.00170 -1.01751 D101 -1.11990 -0.00012 0.00206 0.00463 0.00669 -1.11321 D102 3.13481 0.00006 -0.00086 0.00312 0.00226 3.13707 D103 1.00958 -0.00001 0.00130 0.00362 0.00492 1.01450 D104 1.04256 -0.00002 -0.00079 -0.00009 -0.00089 1.04167 D105 -1.05152 0.00010 0.00003 0.00103 0.00106 -1.05047 D106 3.13710 0.00006 -0.00041 0.00077 0.00037 3.13747 D107 -3.10938 0.00003 -0.00058 -0.00113 -0.00171 -3.11110 D108 1.07972 0.00015 0.00024 -0.00001 0.00023 1.07995 D109 -1.01484 0.00011 -0.00020 -0.00026 -0.00046 -1.01530 D110 -1.08134 -0.00021 0.00174 -0.00004 0.00170 -1.07964 D111 3.10776 -0.00009 0.00256 0.00109 0.00364 3.11140 D112 1.01320 -0.00013 0.00212 0.00083 0.00295 1.01615 Item Value Threshold Converged? Maximum Force 0.005599 0.000450 NO RMS Force 0.001292 0.000300 NO Maximum Displacement 0.529975 0.001800 NO RMS Displacement 0.142916 0.001200 NO Predicted change in Energy=-1.278017D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.009264 -4.628480 2.490330 2 6 0 7.161156 -3.439677 3.425220 3 8 0 6.732461 -5.807878 3.186526 4 8 0 2.907748 -3.655284 -0.961168 5 6 0 3.739443 -3.916617 -0.145400 6 7 0 5.068667 -3.635009 -0.422102 7 6 0 6.173711 -3.829269 0.359022 8 8 0 7.267632 -3.477495 0.026089 9 7 0 5.903977 -4.450222 1.551994 10 6 0 4.613725 -4.764108 1.919318 11 6 0 3.531475 -4.575174 1.156477 12 1 0 7.895762 -4.745701 1.889964 13 1 0 7.357643 -2.539292 2.858022 14 1 0 7.995866 -3.601295 4.099927 15 1 0 5.245029 -3.191243 -1.299768 16 1 0 4.549737 -5.196345 2.896025 17 6 0 2.182646 -5.004822 1.615879 18 1 0 6.263993 -3.300788 4.017200 19 1 0 7.444389 -6.003085 3.777766 20 6 0 2.038820 -6.196794 2.320363 21 6 0 0.806730 -6.597259 2.806904 22 6 0 -0.339184 -5.843009 2.586823 23 6 0 -0.193961 -4.657892 1.873695 24 6 0 1.034045 -4.248073 1.387832 25 1 0 2.889861 -6.838974 2.468764 26 1 0 0.729226 -7.525610 3.349308 27 6 0 -1.678282 -6.337372 3.093645 28 1 0 -1.051409 -4.030424 1.697436 29 1 0 1.094606 -3.335705 0.829927 30 6 0 -2.369543 -7.354807 2.161689 31 6 0 -2.807895 -6.815053 0.798605 32 1 0 -1.518004 -6.823214 4.049406 33 1 0 -2.339716 -5.495624 3.277989 34 1 0 -1.702608 -8.202622 2.022785 35 1 0 -3.248697 -7.727688 2.680262 36 6 0 -3.523952 -7.868781 -0.050512 37 1 0 -1.946320 -6.447055 0.253084 38 1 0 -3.476600 -5.968471 0.946802 39 1 0 -4.388067 -8.246194 0.491154 40 1 0 -2.858393 -8.713880 -0.204889 41 6 0 -3.975848 -7.329072 -1.406949 42 1 0 -3.131282 -6.971374 -1.987531 43 1 0 -4.667842 -6.500672 -1.289220 44 1 0 -4.476006 -8.095595 -1.989695 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519981 0.000000 3 O 1.397243 2.418497 0.000000 4 O 5.448154 6.113784 6.038663 0.000000 5 C 4.259760 4.968391 4.861764 1.193938 0.000000 6 N 3.638016 4.383896 4.528991 2.227235 1.386616 7 C 2.424740 3.244749 3.495980 3.526994 2.487516 8 O 2.732033 3.401008 3.963011 4.473798 3.559544 9 N 1.460791 2.471978 2.280638 3.990651 2.801979 10 C 2.466386 3.242107 2.680357 3.526620 2.397012 11 C 3.725188 4.428446 3.985847 2.391579 1.473713 12 H 1.077060 2.145310 2.040235 5.847926 4.701603 13 H 2.149715 1.082134 3.344013 5.969356 4.899892 14 H 2.149254 1.085399 2.701758 7.176805 6.019914 15 H 4.420749 5.104779 5.402413 2.406837 2.031139 16 H 2.556625 3.191463 2.285311 4.466423 3.397727 17 C 4.919608 5.523491 4.879820 2.998033 2.590350 18 H 2.156276 1.083804 2.682346 6.014498 4.907121 19 H 1.932968 2.602993 0.945787 6.967839 5.785431 20 C 5.214769 5.921210 4.788712 4.240607 3.764479 21 C 6.515193 7.122596 5.990119 5.221864 4.950025 22 C 7.448764 7.920480 7.097115 5.283649 5.273635 23 C 7.229630 7.615052 7.142920 4.319985 4.483068 24 C 6.087976 6.507375 6.175778 3.062673 3.127274 25 H 4.675065 5.542020 4.042761 4.679812 4.011959 26 H 6.969224 7.620389 6.246274 6.189151 5.856553 27 C 8.874557 9.308181 8.427905 6.683321 6.760415 28 H 8.121626 8.413111 8.121906 4.783705 5.134321 29 H 6.277849 6.599195 6.591708 2.568587 2.878174 30 C 9.772558 10.380702 9.289229 7.161600 7.379940 31 C 10.199003 10.847776 9.886100 6.763840 7.222168 32 H 8.942141 9.336260 8.357371 7.397900 7.327036 33 H 9.422090 9.721890 9.078010 6.992366 7.153253 34 H 9.428139 10.159664 8.845308 7.130052 7.258565 35 H 10.717599 11.283042 10.176713 8.230815 8.446462 36 C 11.309469 12.077632 10.950788 7.742714 8.269553 37 H 9.408239 10.102122 9.183401 5.729779 6.236168 38 H 10.683230 11.211565 10.453089 7.053445 7.581179 39 H 12.123685 12.848965 11.699426 8.741546 9.230756 40 H 11.014779 11.890595 10.579746 7.707772 8.157739 41 C 11.964726 12.747945 11.750826 7.815327 8.530068 42 H 11.330096 12.153396 11.199019 6.965613 7.741567 43 H 12.415511 13.096595 12.266995 8.098976 8.869504 44 H 12.806363 13.653659 12.556140 8.677215 9.399940 6 7 8 9 10 6 N 0.000000 7 C 1.367118 0.000000 8 O 2.249695 1.196349 0.000000 9 N 2.293331 1.371686 2.265864 0.000000 10 C 2.638955 2.396248 3.504698 1.377752 0.000000 11 C 2.395575 2.858972 4.054817 2.408488 1.337494 12 H 3.817295 2.479736 2.340283 2.041748 3.282219 13 H 4.147194 3.051350 2.984656 2.733224 3.655141 14 H 5.386870 4.167324 4.140266 3.404209 4.188802 15 H 0.999164 2.005270 2.435314 3.186186 3.637989 16 H 3.703650 3.307956 4.310212 2.048679 1.069991 17 C 3.789311 4.346288 5.542314 3.762974 2.461740 18 H 4.609545 3.697257 4.119160 2.743729 3.043977 19 H 5.375010 4.245929 4.526028 3.120628 3.605767 20 C 4.823259 5.152607 6.324456 4.310492 2.973813 21 C 6.112734 6.516010 7.694746 5.671552 4.317577 22 C 6.570673 7.171893 8.367596 6.479798 5.112817 23 C 5.832000 6.597583 7.777040 6.109948 4.809075 24 C 4.464290 5.258328 6.426954 4.876889 3.655527 25 H 4.834221 4.928794 6.035817 3.953669 2.752938 26 H 6.941978 7.228220 8.377456 6.282229 4.975952 27 C 8.073696 8.684615 9.880191 7.964212 6.591173 28 H 6.488769 7.350794 8.503268 6.969561 5.716753 29 H 4.177359 5.124712 6.226758 4.989347 3.951115 30 C 8.708608 9.416274 10.605163 8.789737 7.452282 31 C 8.581552 9.475093 10.642007 9.058518 7.780927 32 H 8.575738 9.041301 10.225865 8.182540 6.809941 33 H 8.487444 9.152898 10.341607 8.487072 7.122601 34 H 8.525885 9.161371 10.333383 8.494838 7.192367 35 H 9.775133 10.457897 11.649118 9.787043 8.436796 36 C 9.586241 10.513327 11.651075 10.155807 8.929783 37 H 7.587721 8.532228 9.683321 8.203759 6.974441 38 H 8.963288 9.902029 11.067574 9.521899 8.237089 39 H 10.560629 11.448924 12.602067 11.020933 9.756887 40 H 9.417027 10.283790 11.402169 9.901744 8.714672 41 C 9.819332 10.880295 11.970968 10.707663 9.561582 42 H 8.990054 10.097626 11.153442 10.025984 8.951013 43 H 10.186438 11.286823 12.382454 11.137333 9.972856 44 H 10.651524 11.710443 12.779016 11.557523 10.440421 11 12 13 14 15 11 C 0.000000 12 H 4.428779 0.000000 13 H 4.656140 2.468795 0.000000 14 H 5.435359 2.490707 1.754283 0.000000 15 H 3.299192 4.429121 4.709076 6.073874 0.000000 16 H 2.109204 3.522942 3.865968 3.983637 4.701972 17 C 1.488284 5.725553 5.865352 6.475639 4.600898 18 H 4.156254 3.045583 1.766250 1.759697 5.414834 19 H 4.921483 2.312693 3.584874 2.485258 6.206851 20 C 2.492448 6.049353 6.477366 6.737199 5.693721 21 C 3.773192 7.383998 7.706113 7.895023 6.940043 22 C 4.316862 8.336908 8.380289 8.762866 7.302115 23 C 3.794748 8.090215 7.904688 8.552530 6.465643 24 C 2.529362 6.898038 6.713366 7.499381 5.106121 25 H 2.694171 5.456725 6.212879 6.262151 5.749312 26 H 4.622357 7.824117 8.309070 8.292631 7.796994 27 C 5.830911 9.779804 9.804533 10.103853 8.782508 28 H 4.646742 8.977781 8.618735 9.370661 7.023716 29 H 2.753407 7.026200 6.631220 7.641389 4.667171 30 C 6.599911 10.595176 10.876223 11.193182 9.343375 31 C 6.732959 10.956348 11.218801 11.745136 9.076605 32 H 6.238587 9.879182 9.927160 10.044751 9.356468 33 H 6.310224 10.356351 10.146676 10.539844 9.153927 34 H 6.426857 10.202776 10.717232 10.933760 9.188195 35 H 7.630924 11.563554 11.808704 12.061623 10.419374 36 C 7.879322 11.997039 12.460824 12.967027 10.016738 37 H 5.858864 10.121291 10.422093 11.033748 8.045319 38 H 7.148311 11.476730 11.523578 12.131083 9.424802 39 H 8.754324 12.849225 13.271492 13.709855 11.025266 40 H 7.733862 11.652755 12.323731 12.746956 9.867306 41 C 8.397321 12.588826 13.022288 13.694668 10.107309 42 H 7.747186 11.898920 12.374987 13.123567 9.215476 43 H 8.770277 13.077892 13.323079 14.064806 10.450715 44 H 9.295779 13.391571 13.943031 14.588688 10.909958 16 17 18 19 20 16 H 0.000000 17 C 2.697884 0.000000 18 H 2.790850 5.032640 0.000000 19 H 3.131662 5.775485 2.958560 0.000000 20 C 2.763510 1.392041 5.396127 5.601940 0.000000 21 C 3.997575 2.418169 6.489473 6.734548 1.383887 22 C 4.941187 2.829296 7.218782 7.875785 2.418899 23 C 4.882393 2.415593 6.938408 7.986202 2.748280 24 C 3.941314 1.394259 5.929863 7.062887 2.382582 25 H 2.374020 2.142820 5.128468 4.812061 1.076424 26 H 4.497471 3.386971 6.994916 6.898919 2.130614 27 C 6.334763 4.343529 8.552983 9.154393 3.799286 28 H 5.845411 3.378641 7.709006 8.966480 3.825012 29 H 4.434938 2.141846 6.073095 7.491624 3.361364 30 C 7.285235 5.151967 9.716786 10.037536 4.560684 31 C 7.820112 5.371254 10.247369 10.707196 5.117484 32 H 6.387055 4.787840 8.542131 9.003938 4.004122 33 H 6.906521 4.843062 8.909969 9.809995 4.536548 34 H 6.992286 5.048434 9.564120 9.570030 4.255606 35 H 8.201818 6.168176 10.577150 10.886729 5.516430 36 C 9.000470 6.598817 11.541954 11.766098 6.273837 37 H 7.123775 4.581004 9.564350 10.040214 4.496399 38 H 8.295646 5.779563 10.555710 11.282002 5.688467 39 H 9.745221 7.412541 12.261991 12.483605 6.989344 40 H 8.767503 6.518004 11.416896 11.373534 6.057666 41 C 9.785178 7.243388 12.267958 12.611952 7.165971 42 H 9.273506 6.714888 11.738875 12.083918 6.774060 43 H 10.206924 7.589884 12.565920 13.138801 7.622384 44 H 10.664893 8.178672 13.206836 13.406641 8.038968 21 22 23 24 25 21 C 0.000000 22 C 1.389406 0.000000 23 C 2.373480 1.390735 0.000000 24 C 2.753927 2.422222 1.382755 0.000000 25 H 2.124194 3.381215 3.823765 3.365298 0.000000 26 H 1.077981 2.134018 3.354626 3.831782 2.432112 27 C 2.514964 1.514743 2.551890 3.825139 4.637888 28 H 3.357416 2.140966 1.077033 2.119515 4.900664 29 H 3.824794 3.380681 2.120857 1.071140 4.263991 30 C 3.328497 2.566833 3.476989 4.672801 5.293554 31 C 4.140799 3.199552 3.555533 4.658013 5.937544 32 H 2.645611 2.118860 3.342967 4.497586 4.682729 33 H 3.366845 2.144881 2.697796 4.063415 5.459662 34 H 3.080390 2.782955 3.855302 4.850865 4.811361 35 H 4.211934 3.467854 4.405180 5.667449 6.206161 36 C 5.341947 4.604567 5.010112 5.996141 6.967371 37 H 3.758169 2.897256 2.982992 3.873725 5.333993 38 H 4.711928 3.542427 3.654103 4.847700 6.603481 39 H 5.921790 5.153696 5.690155 6.796198 7.671991 40 H 5.194622 4.730959 5.279275 6.134433 6.611060 41 C 6.416008 5.602136 5.674548 6.511712 7.899323 42 H 6.215667 5.476654 5.374861 6.013269 7.492013 43 H 6.838018 5.847522 5.780612 6.689718 8.447234 44 H 7.291068 6.567493 6.714126 7.521421 8.701319 26 27 28 29 30 26 H 0.000000 27 C 2.696918 0.000000 28 H 4.256250 2.768462 0.000000 29 H 4.902661 4.671544 2.416730 0.000000 30 C 3.322948 1.543230 3.606180 5.470566 0.000000 31 C 4.418394 2.602194 3.412814 5.228418 1.530191 32 H 2.456327 1.084072 3.680917 5.417886 2.138034 33 H 3.680263 1.086286 2.510915 4.738441 2.168773 34 H 2.851635 2.150927 4.235227 5.738832 1.087606 35 H 4.038852 2.137772 4.411778 6.448064 1.086678 36 C 5.455829 3.954420 4.888944 6.531082 2.547678 37 H 4.231835 2.855286 2.954170 4.388675 2.155436 38 H 5.087798 2.824707 3.193905 5.276461 2.150221 39 H 5.905504 4.214202 5.510093 7.367997 2.767616 40 H 5.187996 4.233294 5.368314 6.754392 2.772497 41 C 6.693155 5.149527 5.391719 6.830819 3.913573 42 H 6.610034 5.322736 5.153062 6.246142 4.235952 43 H 7.189908 5.307884 5.301021 6.907503 4.233260 44 H 7.478253 6.062916 6.469035 7.851021 4.713803 31 32 33 34 35 31 C 0.000000 32 H 3.497370 0.000000 33 H 2.847355 1.741491 0.000000 34 H 2.155371 2.458463 3.051111 0.000000 35 H 2.137251 2.384938 2.483070 1.745918 0.000000 36 C 1.531039 4.682560 4.255962 2.779804 2.748236 37 H 1.084126 3.838882 3.195314 2.504646 3.037664 38 H 1.088957 3.767338 2.636384 3.048970 2.480255 39 H 2.153981 4.787828 4.419030 3.091842 2.521747 40 H 2.148277 4.844614 4.770392 2.561202 3.073923 41 C 2.548097 6.005723 5.290284 4.206398 4.170484 42 H 2.809194 6.250539 5.525407 4.431672 4.730126 43 H 2.813760 6.206967 5.223953 4.760107 4.390481 44 H 3.492420 6.843937 6.250766 4.878851 4.842534 36 37 38 39 40 36 C 0.000000 37 H 2.145321 0.000000 38 H 2.146638 1.747010 0.000000 39 H 1.087446 3.042320 2.495278 0.000000 40 H 1.086736 2.485984 3.040697 1.744451 0.000000 41 C 1.528207 2.766342 2.764169 2.147984 2.147405 42 H 2.170615 2.588321 3.120156 3.057541 2.507710 43 H 2.171313 3.128619 2.588840 2.508955 3.057477 44 H 2.172160 3.761257 3.761181 2.486971 2.486862 41 42 43 44 41 C 0.000000 42 H 1.085502 0.000000 43 H 1.085800 1.752202 0.000000 44 H 1.085038 1.752757 1.752496 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.774948 -0.992042 0.521146 2 6 0 -5.345343 -1.479146 -0.800869 3 8 0 -4.215988 -2.034933 1.264267 4 8 0 -0.890187 2.695157 -0.476635 5 6 0 -1.668001 1.816909 -0.254888 6 7 0 -2.995027 2.136013 -0.010183 7 6 0 -4.050198 1.305485 0.246428 8 8 0 -5.169693 1.707358 0.374799 9 7 0 -3.702505 -0.018764 0.330080 10 6 0 -2.410081 -0.435080 0.096584 11 6 0 -1.376453 0.375832 -0.154262 12 1 0 -5.536959 -0.489545 1.092891 13 1 0 -5.755161 -0.648943 -1.361071 14 1 0 -6.144586 -2.191239 -0.621356 15 1 0 -3.225931 3.106482 -0.066786 16 1 0 -2.297295 -1.498013 0.144901 17 6 0 -0.001128 -0.164371 -0.332166 18 1 0 -4.578954 -1.966209 -1.392519 19 1 0 -4.881879 -2.676334 1.463533 20 6 0 0.434353 -1.222851 0.460144 21 6 0 1.687790 -1.781997 0.282962 22 6 0 2.571836 -1.291559 -0.670128 23 6 0 2.137735 -0.227266 -1.453058 24 6 0 0.885357 0.334479 -1.285713 25 1 0 -0.196693 -1.600348 1.246251 26 1 0 1.994601 -2.601399 0.912638 27 6 0 3.953394 -1.898340 -0.802647 28 1 0 2.781423 0.171724 -2.218874 29 1 0 0.600627 1.163592 -1.901213 30 6 0 4.986063 -1.342170 0.200262 31 6 0 5.349692 0.134209 0.028321 32 1 0 3.870276 -2.965504 -0.630997 33 1 0 4.318749 -1.772638 -1.817897 34 1 0 4.613719 -1.512856 1.207791 35 1 0 5.892900 -1.931756 0.095834 36 6 0 6.410252 0.600871 1.029080 37 1 0 4.463141 0.748019 0.140539 38 1 0 5.723359 0.295775 -0.981678 39 1 0 7.302315 -0.012390 0.925766 40 1 0 6.039622 0.445706 2.038809 41 6 0 6.786265 2.071337 0.850871 42 1 0 5.921702 2.715187 0.978545 43 1 0 7.189875 2.256149 -0.140040 44 1 0 7.535297 2.377338 1.573797 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6059423 0.1063715 0.0961331 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1735.6041751208 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.83D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999894 0.014390 -0.000407 0.001995 Ang= 1.67 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.115046250 A.U. after 15 cycles NFock= 15 Conv=0.37D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.001183296 -0.002278474 0.000635447 2 6 -0.000282307 -0.000118026 -0.000165523 3 8 -0.001869625 0.000034225 -0.000763490 4 8 -0.003890917 0.002416995 0.001442975 5 6 0.001556669 -0.009372791 -0.001039981 6 7 0.003147717 0.003424668 -0.001552739 7 6 -0.005807742 -0.001596580 0.000708437 8 8 0.003006467 0.000450723 -0.000606997 9 7 0.000640142 0.003248456 0.000513213 10 6 0.001894318 -0.000416271 0.001991778 11 6 -0.000708111 0.004714217 0.000446273 12 1 0.000344148 0.000612472 -0.000921589 13 1 0.000195210 0.000559401 -0.000365021 14 1 0.000450714 0.000066115 0.000489155 15 1 -0.000515700 -0.000304212 0.000525297 16 1 -0.001894814 -0.000742132 -0.001239967 17 6 -0.001339706 -0.000999779 -0.001726400 18 1 -0.000533428 0.000000250 0.000336617 19 1 0.001463785 -0.000056297 0.001071800 20 6 -0.000546088 -0.001744026 0.000034014 21 6 -0.000596814 -0.001562153 -0.000946932 22 6 0.002247307 0.000028230 0.000234192 23 6 -0.002410268 0.000482844 0.000663982 24 6 0.003075132 0.000496103 0.001063645 25 1 -0.000204907 0.000929916 0.000546567 26 1 0.001054344 0.000653075 -0.000466339 27 6 0.000652282 -0.000008006 -0.003705059 28 1 -0.000241585 -0.001260973 -0.000441181 29 1 0.000976003 0.001009522 -0.000468731 30 6 -0.000262441 0.001974854 0.001573839 31 6 -0.000422497 -0.001039735 0.001446963 32 1 -0.001049307 0.000232411 0.002038403 33 1 -0.000360805 0.000092086 -0.000954810 34 1 -0.000695381 -0.000359773 -0.000530024 35 1 -0.000207131 -0.001701190 0.000887433 36 6 0.000440653 0.001499523 -0.000396391 37 1 0.000809388 0.001370409 -0.000645539 38 1 0.000728220 0.000906410 -0.000087336 39 1 0.000042114 -0.000612905 0.000388042 40 1 -0.000080805 -0.001082940 0.000177830 41 6 0.000117675 0.000044727 -0.000021315 42 1 0.000446081 0.000125910 -0.000198437 43 1 -0.000325238 0.000366322 0.000198770 44 1 -0.000226046 -0.000483600 -0.000170871 ------------------------------------------------------------------- Cartesian Forces: Max 0.009372791 RMS 0.001597540 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005025056 RMS 0.001076624 Search for a local minimum. Step number 16 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 15 16 DE= -1.30D-03 DEPred=-1.28D-03 R= 1.02D+00 TightC=F SS= 1.41D+00 RLast= 4.24D-01 DXNew= 7.8078D-01 1.2708D+00 Trust test= 1.02D+00 RLast= 4.24D-01 DXMaxT set to 7.81D-01 ITU= 1 1 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00242 0.00272 0.00289 0.00301 Eigenvalues --- 0.00387 0.00583 0.01455 0.01473 0.01504 Eigenvalues --- 0.01527 0.01591 0.01709 0.01810 0.01870 Eigenvalues --- 0.01888 0.02053 0.02105 0.02116 0.02132 Eigenvalues --- 0.02399 0.02437 0.02471 0.02485 0.02610 Eigenvalues --- 0.03335 0.03466 0.03482 0.04024 0.04364 Eigenvalues --- 0.04727 0.04780 0.04840 0.05189 0.05297 Eigenvalues --- 0.05420 0.05436 0.05481 0.05522 0.05613 Eigenvalues --- 0.05701 0.08288 0.08324 0.08646 0.08834 Eigenvalues --- 0.09662 0.12169 0.12223 0.12394 0.13033 Eigenvalues --- 0.14812 0.15782 0.15981 0.15997 0.16000 Eigenvalues --- 0.16000 0.16001 0.16005 0.16009 0.16034 Eigenvalues --- 0.16108 0.16185 0.16552 0.18042 0.19673 Eigenvalues --- 0.20415 0.21652 0.21960 0.22018 0.22394 Eigenvalues --- 0.22560 0.23062 0.23630 0.24246 0.24431 Eigenvalues --- 0.24927 0.24971 0.25174 0.25988 0.26428 Eigenvalues --- 0.28157 0.28332 0.28896 0.29075 0.29895 Eigenvalues --- 0.30801 0.31734 0.32558 0.33042 0.33536 Eigenvalues --- 0.33555 0.33670 0.33693 0.33699 0.33722 Eigenvalues --- 0.33735 0.33745 0.33760 0.33774 0.33785 Eigenvalues --- 0.33833 0.33851 0.34174 0.34722 0.35251 Eigenvalues --- 0.37439 0.37876 0.38219 0.38570 0.39080 Eigenvalues --- 0.40158 0.43549 0.44412 0.47776 0.49509 Eigenvalues --- 0.50628 0.51673 0.52061 0.53747 0.55169 Eigenvalues --- 0.56210 0.56995 0.59137 0.74852 0.88562 Eigenvalues --- 0.90757 RFO step: Lambda=-1.37024493D-03 EMin= 2.30120591D-03 Quartic linear search produced a step of 0.13374. Iteration 1 RMS(Cart)= 0.05742491 RMS(Int)= 0.00055920 Iteration 2 RMS(Cart)= 0.00108838 RMS(Int)= 0.00008489 Iteration 3 RMS(Cart)= 0.00000092 RMS(Int)= 0.00008489 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87235 0.00056 0.00045 0.00273 0.00318 2.87553 R2 2.64041 0.00025 0.00032 0.00061 0.00093 2.64133 R3 2.76050 0.00107 -0.00024 0.00121 0.00097 2.76146 R4 2.03535 0.00073 0.00020 0.00170 0.00190 2.03725 R5 2.04494 0.00069 0.00015 0.00160 0.00175 2.04669 R6 2.05111 0.00064 0.00013 0.00167 0.00180 2.05291 R7 2.04809 0.00063 0.00014 0.00155 0.00169 2.04978 R8 1.78728 0.00178 0.00059 0.00310 0.00369 1.79097 R9 2.25622 0.00225 0.00013 0.00286 0.00300 2.25921 R10 2.62033 0.00147 -0.00019 0.00085 0.00073 2.62105 R11 2.78491 -0.00303 0.00008 -0.00508 -0.00496 2.77995 R12 2.58348 -0.00021 0.00063 -0.00079 -0.00012 2.58335 R13 1.88815 -0.00069 0.00002 -0.00112 -0.00110 1.88704 R14 2.26077 0.00305 0.00032 0.00401 0.00433 2.26510 R15 2.59211 0.00082 0.00029 0.00002 0.00026 2.59238 R16 2.60357 0.00081 0.00073 0.00202 0.00268 2.60625 R17 2.52750 0.00023 -0.00036 0.00085 0.00045 2.52795 R18 2.02199 -0.00072 0.00021 -0.00148 -0.00127 2.02072 R19 2.81245 -0.00175 -0.00044 -0.00053 -0.00097 2.81148 R20 2.63058 0.00056 0.00071 0.00173 0.00245 2.63303 R21 2.63477 -0.00237 -0.00004 -0.00191 -0.00195 2.63282 R22 2.61517 -0.00049 0.00029 -0.00006 0.00024 2.61541 R23 2.03415 -0.00064 0.00015 -0.00110 -0.00095 2.03319 R24 2.62560 0.00065 0.00062 0.00025 0.00087 2.62647 R25 2.03709 -0.00087 0.00001 -0.00150 -0.00149 2.03560 R26 2.62811 -0.00072 0.00026 -0.00038 -0.00012 2.62798 R27 2.86245 -0.00008 0.00003 -0.00016 -0.00013 2.86232 R28 2.61303 0.00056 0.00077 0.00231 0.00307 2.61610 R29 2.03530 -0.00047 0.00012 -0.00122 -0.00110 2.03420 R30 2.02416 0.00116 0.00027 0.00082 0.00109 2.02525 R31 2.91628 -0.00241 0.00048 -0.00404 -0.00356 2.91273 R32 2.04860 0.00154 0.00005 0.00351 0.00356 2.05216 R33 2.05278 0.00013 -0.00000 0.00009 0.00009 2.05287 R34 2.89164 -0.00067 0.00043 -0.00155 -0.00112 2.89052 R35 2.05528 -0.00008 0.00004 -0.00018 -0.00014 2.05514 R36 2.05352 0.00117 0.00008 0.00313 0.00321 2.05674 R37 2.89324 -0.00008 0.00062 -0.00000 0.00062 2.89387 R38 2.04870 0.00143 -0.00010 0.00316 0.00306 2.05176 R39 2.05783 0.00025 0.00002 0.00063 0.00066 2.05849 R40 2.05497 0.00037 0.00001 0.00081 0.00082 2.05580 R41 2.05363 0.00077 0.00004 0.00187 0.00191 2.05554 R42 2.88789 0.00019 0.00035 0.00137 0.00172 2.88962 R43 2.05130 0.00049 0.00008 0.00107 0.00115 2.05245 R44 2.05186 0.00051 0.00008 0.00119 0.00127 2.05314 R45 2.05042 0.00054 0.00019 0.00139 0.00157 2.05200 A1 1.95358 -0.00022 -0.00028 -0.00159 -0.00186 1.95172 A2 1.95547 -0.00051 0.00077 -0.00157 -0.00080 1.95467 A3 1.92380 0.00016 -0.00045 -0.00177 -0.00223 1.92157 A4 1.84748 0.00046 -0.00047 0.00088 0.00041 1.84789 A5 1.92722 0.00032 -0.00006 0.00395 0.00388 1.93111 A6 1.85250 -0.00020 0.00055 0.00040 0.00095 1.85345 A7 1.92465 -0.00003 0.00005 -0.00065 -0.00060 1.92405 A8 1.92062 0.00029 0.00029 0.00265 0.00295 1.92356 A9 1.93206 -0.00015 -0.00017 -0.00186 -0.00203 1.93003 A10 1.88607 -0.00011 -0.00002 -0.00014 -0.00016 1.88591 A11 1.90707 0.00008 -0.00015 0.00031 0.00016 1.90722 A12 1.89246 -0.00008 0.00000 -0.00028 -0.00027 1.89219 A13 1.91407 -0.00059 -0.00046 -0.00486 -0.00532 1.90876 A14 2.07941 0.00286 0.00139 0.00584 0.00654 2.08595 A15 2.21818 -0.00323 -0.00113 -0.00665 -0.00844 2.20974 A16 1.98484 0.00047 -0.00028 0.00313 0.00245 1.98729 A17 2.25489 -0.00208 -0.00039 -0.00783 -0.00806 2.24683 A18 2.02049 0.00068 0.00050 0.00302 0.00344 2.02393 A19 2.00680 0.00141 -0.00014 0.00484 0.00461 2.01141 A20 2.13923 -0.00043 -0.00063 -0.00245 -0.00327 2.13595 A21 1.98482 0.00187 0.00060 0.00763 0.00815 1.99297 A22 2.15910 -0.00144 0.00011 -0.00492 -0.00500 2.15410 A23 2.05456 0.00014 0.00042 0.00143 0.00184 2.05639 A24 2.10543 0.00076 -0.00011 0.00313 0.00301 2.10844 A25 2.11667 -0.00086 -0.00023 -0.00301 -0.00331 2.11336 A26 2.18160 -0.00144 -0.00071 -0.00400 -0.00475 2.17685 A27 1.97295 0.00281 0.00117 0.01404 0.01523 1.98818 A28 2.12857 -0.00137 -0.00044 -0.01005 -0.01048 2.11810 A29 2.04068 0.00211 0.00100 0.00484 0.00588 2.04656 A30 2.12891 -0.00503 -0.00024 -0.00433 -0.00465 2.12426 A31 2.11356 0.00292 -0.00074 -0.00040 -0.00121 2.11236 A32 2.09099 0.00336 -0.00098 0.00148 0.00050 2.09149 A33 2.14057 -0.00492 0.00016 -0.00611 -0.00595 2.13462 A34 2.05151 0.00156 0.00082 0.00458 0.00540 2.05692 A35 2.11496 -0.00066 -0.00056 -0.00113 -0.00169 2.11327 A36 2.09316 0.00011 -0.00117 -0.00255 -0.00374 2.08941 A37 2.07463 0.00056 0.00169 0.00403 0.00569 2.08032 A38 2.11941 -0.00095 -0.00023 -0.00364 -0.00389 2.11552 A39 2.08303 -0.00053 0.00055 -0.00170 -0.00118 2.08185 A40 2.08049 0.00149 -0.00032 0.00564 0.00528 2.08577 A41 2.04620 0.00114 0.00069 0.00525 0.00594 2.05214 A42 2.09318 0.00296 -0.00031 0.00745 0.00713 2.10031 A43 2.14361 -0.00410 -0.00040 -0.01260 -0.01301 2.13060 A44 2.12406 -0.00055 -0.00044 -0.00191 -0.00236 2.12170 A45 2.09121 -0.00048 0.00002 -0.00439 -0.00437 2.08684 A46 2.06787 0.00103 0.00043 0.00633 0.00676 2.07463 A47 2.10980 -0.00054 -0.00030 -0.00291 -0.00322 2.10657 A48 2.09546 -0.00062 0.00004 -0.00297 -0.00294 2.09253 A49 2.07793 0.00116 0.00026 0.00587 0.00613 2.08405 A50 1.99227 0.00044 -0.00083 -0.00277 -0.00366 1.98861 A51 1.88657 0.00063 0.00019 0.01147 0.01165 1.89822 A52 1.92002 -0.00031 0.00065 -0.00355 -0.00297 1.91706 A53 1.87882 0.00023 0.00006 0.00560 0.00565 1.88447 A54 1.91837 -0.00083 -0.00073 -0.00849 -0.00926 1.90910 A55 1.86260 -0.00015 0.00078 -0.00155 -0.00075 1.86186 A56 2.01941 -0.00387 0.00068 -0.01460 -0.01393 2.00548 A57 1.89271 0.00180 -0.00038 0.00377 0.00330 1.89600 A58 1.87594 0.00108 -0.00091 0.01035 0.00947 1.88541 A59 1.91438 0.00046 0.00091 -0.00484 -0.00397 1.91042 A60 1.89059 0.00175 -0.00084 0.00966 0.00887 1.89946 A61 1.86457 -0.00107 0.00052 -0.00339 -0.00288 1.86169 A62 1.96627 -0.00041 -0.00034 0.00101 0.00067 1.96694 A63 1.91804 0.00019 0.00028 0.00001 0.00029 1.91833 A64 1.90595 -0.00002 -0.00024 -0.00080 -0.00105 1.90489 A65 1.90311 0.00024 0.00021 0.00107 0.00127 1.90439 A66 1.90005 0.00057 -0.00025 0.00440 0.00415 1.90420 A67 1.86775 -0.00059 0.00038 -0.00603 -0.00565 1.86210 A68 1.91161 -0.00013 0.00004 -0.00238 -0.00234 1.90927 A69 1.90452 0.00025 -0.00015 0.00204 0.00189 1.90641 A70 1.96871 -0.00004 -0.00005 0.00146 0.00141 1.97013 A71 1.86244 -0.00037 0.00055 -0.00390 -0.00335 1.85909 A72 1.90680 0.00026 -0.00018 0.00148 0.00130 1.90810 A73 1.90673 0.00001 -0.00017 0.00099 0.00081 1.90754 A74 1.94018 -0.00006 -0.00012 -0.00069 -0.00081 1.93938 A75 1.94084 -0.00015 -0.00015 -0.00123 -0.00138 1.93946 A76 1.94284 -0.00018 0.00034 -0.00026 0.00007 1.94292 A77 1.87805 0.00013 -0.00007 0.00095 0.00088 1.87893 A78 1.87988 0.00013 0.00001 0.00075 0.00077 1.88064 A79 1.87909 0.00015 -0.00003 0.00062 0.00059 1.87969 D1 -3.12460 0.00010 0.00033 0.00101 0.00134 -3.12326 D2 1.07955 0.00008 0.00014 -0.00008 0.00006 1.07961 D3 -1.01207 0.00008 0.00006 -0.00026 -0.00020 -1.01227 D4 -1.05234 0.00019 0.00007 -0.00002 0.00004 -1.05230 D5 -3.13138 0.00017 -0.00012 -0.00111 -0.00124 -3.13261 D6 1.06018 0.00017 -0.00021 -0.00129 -0.00150 1.05868 D7 1.00636 -0.00028 0.00094 -0.00167 -0.00074 1.00562 D8 -1.07267 -0.00030 0.00075 -0.00276 -0.00202 -1.07469 D9 3.11888 -0.00030 0.00066 -0.00294 -0.00227 3.11661 D10 -1.06397 -0.00020 0.00120 0.00362 0.00483 -1.05914 D11 3.08407 0.00026 0.00073 0.00592 0.00665 3.09072 D12 1.08632 0.00008 0.00037 0.00307 0.00344 1.08977 D13 1.55457 0.00025 -0.00139 0.00523 0.00386 1.55843 D14 -1.46602 -0.00005 -0.00216 -0.00887 -0.01105 -1.47707 D15 -2.59467 -0.00001 -0.00158 0.00292 0.00136 -2.59331 D16 0.66793 -0.00032 -0.00236 -0.01117 -0.01355 0.65438 D17 -0.54612 0.00048 -0.00162 0.00804 0.00644 -0.53968 D18 2.71648 0.00018 -0.00239 -0.00606 -0.00847 2.70801 D19 3.12528 -0.00127 -0.00100 -0.03959 -0.04093 3.08435 D20 0.03468 -0.00148 -0.00012 -0.04052 -0.04090 -0.00622 D21 -0.05516 0.00113 -0.00151 0.01979 0.01830 -0.03686 D22 3.13743 0.00093 -0.00063 0.01887 0.01832 -3.12743 D23 -3.13595 0.00160 0.00467 0.03551 0.03988 -3.09607 D24 -0.00238 0.00177 0.00122 0.05117 0.05212 0.04974 D25 0.04818 -0.00120 0.00517 -0.02988 -0.02475 0.02343 D26 -3.10144 -0.00103 0.00171 -0.01423 -0.01251 -3.11395 D27 -3.07308 -0.00059 0.00370 -0.03091 -0.02721 -3.10029 D28 0.05992 -0.00040 -0.00231 0.00227 -0.00007 0.05985 D29 0.01785 -0.00040 0.00284 -0.03003 -0.02726 -0.00942 D30 -3.13234 -0.00021 -0.00317 0.00315 -0.00012 -3.13246 D31 -3.07826 -0.00059 0.00175 -0.02874 -0.02693 -3.10519 D32 -0.05850 -0.00017 0.00254 -0.01409 -0.01151 -0.07001 D33 0.05463 -0.00039 -0.00432 0.00490 0.00054 0.05517 D34 3.07439 0.00003 -0.00353 0.01954 0.01596 3.09035 D35 3.08188 0.00007 0.00216 0.01600 0.01818 3.10006 D36 -0.07081 0.00015 0.00329 0.01422 0.01746 -0.05335 D37 0.06565 -0.00032 0.00131 0.00106 0.00240 0.06805 D38 -3.08704 -0.00024 0.00243 -0.00071 0.00168 -3.08537 D39 -0.05802 0.00095 -0.00536 0.02205 0.01660 -0.04141 D40 3.09153 0.00082 -0.00193 0.00656 0.00447 3.09600 D41 3.09561 0.00084 -0.00659 0.02382 0.01722 3.11283 D42 -0.03803 0.00071 -0.00316 0.00833 0.00509 -0.03294 D43 2.48068 -0.00053 -0.02335 -0.07510 -0.09845 2.38223 D44 -0.67760 -0.00058 -0.02308 -0.07828 -0.10136 -0.77896 D45 -0.66927 -0.00036 -0.02697 -0.05877 -0.08573 -0.75500 D46 2.45564 -0.00041 -0.02669 -0.06195 -0.08864 2.36700 D47 3.09631 0.00002 -0.00149 0.00340 0.00190 3.09821 D48 -0.07755 0.00036 -0.00329 0.01674 0.01343 -0.06413 D49 -0.02943 0.00013 -0.00174 0.00652 0.00479 -0.02465 D50 3.07989 0.00047 -0.00354 0.01986 0.01631 3.09620 D51 -3.09972 -0.00020 0.00132 -0.00487 -0.00356 -3.10328 D52 0.04175 0.00001 0.00204 0.00340 0.00542 0.04716 D53 0.02554 -0.00023 0.00156 -0.00801 -0.00646 0.01908 D54 -3.11618 -0.00002 0.00229 0.00026 0.00252 -3.11366 D55 0.02555 -0.00023 0.00060 -0.00556 -0.00493 0.02062 D56 -3.14067 0.00018 0.00041 0.00881 0.00922 -3.13145 D57 -3.08411 -0.00055 0.00241 -0.01864 -0.01623 -3.10034 D58 0.03286 -0.00015 0.00222 -0.00427 -0.00207 0.03079 D59 -0.01608 0.00032 0.00073 0.00539 0.00612 -0.00996 D60 3.10467 0.00029 -0.00097 0.01023 0.00928 3.11396 D61 -3.13308 -0.00005 0.00090 -0.00886 -0.00798 -3.14106 D62 -0.01233 -0.00008 -0.00079 -0.00402 -0.00482 -0.01714 D63 0.01228 -0.00042 -0.00091 -0.00689 -0.00781 0.00447 D64 -3.11881 -0.00051 -0.00168 -0.00998 -0.01167 -3.13048 D65 -3.10782 -0.00048 0.00084 -0.01214 -0.01130 -3.11912 D66 0.04427 -0.00057 0.00007 -0.01523 -0.01516 0.02912 D67 -1.44791 -0.00044 0.00550 0.02739 0.03290 -1.41501 D68 0.64188 0.00056 0.00518 0.04078 0.04598 0.68786 D69 2.66946 0.00057 0.00658 0.04350 0.05008 2.71953 D70 1.67163 -0.00041 0.00372 0.03275 0.03646 1.70809 D71 -2.52176 0.00060 0.00340 0.04614 0.04953 -2.47222 D72 -0.49418 0.00060 0.00479 0.04885 0.05363 -0.44055 D73 -0.01772 0.00040 -0.00024 0.00854 0.00829 -0.00943 D74 3.12400 0.00020 -0.00096 0.00035 -0.00065 3.12335 D75 3.11350 0.00048 0.00052 0.01153 0.01206 3.12556 D76 -0.02796 0.00028 -0.00020 0.00334 0.00313 -0.02484 D77 -1.14800 0.00099 0.00203 0.00458 0.00659 -1.14141 D78 1.01072 0.00026 0.00341 -0.00934 -0.00596 1.00476 D79 3.02057 0.00047 0.00336 -0.00606 -0.00270 3.01787 D80 3.04104 -0.00023 0.00228 -0.01209 -0.00982 3.03121 D81 -1.08343 -0.00097 0.00366 -0.02601 -0.02237 -1.10580 D82 0.92642 -0.00075 0.00360 -0.02272 -0.01912 0.90731 D83 1.01870 0.00026 0.00170 -0.00887 -0.00715 1.01155 D84 -3.10577 -0.00048 0.00308 -0.02279 -0.01970 -3.12546 D85 -1.09591 -0.00026 0.00302 -0.01950 -0.01644 -1.11236 D86 -3.10987 -0.00016 0.00425 -0.01446 -0.01019 -3.12006 D87 1.04739 -0.00032 0.00402 -0.01653 -0.01249 1.03491 D88 -0.99641 0.00029 0.00353 -0.00877 -0.00521 -1.00162 D89 1.02597 -0.00007 0.00354 -0.00479 -0.00128 1.02469 D90 -1.09995 -0.00024 0.00331 -0.00686 -0.00358 -1.10353 D91 3.13943 0.00037 0.00282 0.00090 0.00369 -3.14006 D92 -1.00316 -0.00003 0.00289 -0.00353 -0.00064 -1.00380 D93 -3.12908 -0.00020 0.00266 -0.00560 -0.00294 -3.13202 D94 1.11031 0.00042 0.00218 0.00216 0.00433 1.11464 D95 1.00362 -0.00019 0.00019 0.00244 0.00263 1.00625 D96 -1.02929 0.00019 -0.00040 0.00730 0.00690 -1.02240 D97 3.13133 0.00002 -0.00005 0.00362 0.00357 3.13490 D98 3.13797 -0.00005 0.00046 0.00389 0.00436 -3.14086 D99 1.10506 0.00033 -0.00013 0.00875 0.00863 1.11368 D100 -1.01751 0.00016 0.00023 0.00508 0.00530 -1.01221 D101 -1.11321 -0.00030 0.00089 -0.00027 0.00062 -1.11259 D102 3.13707 0.00008 0.00030 0.00459 0.00489 -3.14123 D103 1.01450 -0.00009 0.00066 0.00091 0.00157 1.01607 D104 1.04167 0.00011 -0.00012 0.00186 0.00175 1.04342 D105 -1.05047 0.00009 0.00014 0.00195 0.00210 -1.04837 D106 3.13747 0.00011 0.00005 0.00218 0.00223 3.13969 D107 -3.11110 0.00010 -0.00023 0.00087 0.00064 -3.11045 D108 1.07995 0.00008 0.00003 0.00096 0.00099 1.08094 D109 -1.01530 0.00010 -0.00006 0.00118 0.00112 -1.01418 D110 -1.07964 -0.00019 0.00023 -0.00241 -0.00218 -1.08183 D111 3.11140 -0.00021 0.00049 -0.00232 -0.00183 3.10957 D112 1.01615 -0.00019 0.00039 -0.00210 -0.00170 1.01445 Item Value Threshold Converged? Maximum Force 0.005025 0.000450 NO RMS Force 0.001077 0.000300 NO Maximum Displacement 0.236822 0.001800 NO RMS Displacement 0.057292 0.001200 NO Predicted change in Energy=-7.532074D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.003294 -4.583840 2.503284 2 6 0 7.147854 -3.367052 3.405496 3 8 0 6.735512 -5.744326 3.234872 4 8 0 2.889564 -3.780605 -0.984897 5 6 0 3.734320 -4.025125 -0.175038 6 7 0 5.057378 -3.714988 -0.452722 7 6 0 6.155082 -3.853504 0.350205 8 8 0 7.249946 -3.507799 0.005965 9 7 0 5.894126 -4.439232 1.562942 10 6 0 4.606259 -4.763962 1.934502 11 6 0 3.528903 -4.619790 1.154728 12 1 0 7.890962 -4.708466 1.904333 13 1 0 7.336199 -2.480840 2.812054 14 1 0 7.984548 -3.501133 4.085293 15 1 0 5.230958 -3.297627 -1.343140 16 1 0 4.528199 -5.164401 2.922932 17 6 0 2.182829 -5.050927 1.619129 18 1 0 6.248590 -3.219572 3.993837 19 1 0 7.451440 -5.910847 3.833141 20 6 0 2.034661 -6.268732 2.279726 21 6 0 0.803818 -6.671795 2.767646 22 6 0 -0.331086 -5.888302 2.594835 23 6 0 -0.182608 -4.678953 1.924469 24 6 0 1.046212 -4.265590 1.439042 25 1 0 2.884334 -6.918072 2.398112 26 1 0 0.724165 -7.614822 3.282135 27 6 0 -1.674980 -6.365110 3.105565 28 1 0 -1.038662 -4.042097 1.781858 29 1 0 1.118027 -3.334788 0.912713 30 6 0 -2.379979 -7.366892 2.170064 31 6 0 -2.797352 -6.797213 0.813254 32 1 0 -1.531565 -6.848603 4.067318 33 1 0 -2.326792 -5.513508 3.278877 34 1 0 -1.724251 -8.221097 2.018127 35 1 0 -3.265160 -7.739986 2.681752 36 6 0 -3.518841 -7.825457 -0.062677 37 1 0 -1.924772 -6.428208 0.282891 38 1 0 -3.452423 -5.941379 0.971408 39 1 0 -4.394712 -8.197788 0.464301 40 1 0 -2.866544 -8.681281 -0.221630 41 6 0 -3.946275 -7.257612 -1.416581 42 1 0 -3.088260 -6.905252 -1.981633 43 1 0 -4.626006 -6.419160 -1.292533 44 1 0 -4.452911 -8.007269 -2.016956 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521664 0.000000 3 O 1.397733 2.418796 0.000000 4 O 5.453015 6.130222 6.037713 0.000000 5 C 4.262834 4.990541 4.856984 1.195523 0.000000 6 N 3.644100 4.401931 4.531303 2.233144 1.387002 7 C 2.426645 3.249160 3.497630 3.528657 2.483026 8 O 2.730440 3.403975 3.961381 4.479862 3.558091 9 N 1.461304 2.473138 2.281788 3.994079 2.803001 10 C 2.470168 3.251905 2.680633 3.526603 2.399233 11 C 3.727102 4.442085 3.984209 2.385578 1.471088 12 H 1.078066 2.145948 2.044115 5.850005 4.697702 13 H 2.151459 1.083060 3.345137 5.989891 4.927582 14 H 2.153571 1.086351 2.704667 7.193316 6.040648 15 H 4.426115 5.121411 5.404462 2.417382 2.033136 16 H 2.576674 3.213397 2.303443 4.457707 3.394939 17 C 4.923087 5.538774 4.880405 2.982305 2.584266 18 H 2.156979 1.084698 2.680952 6.032049 4.934571 19 H 1.931399 2.597294 0.947738 6.968654 5.782597 20 C 5.251300 5.985971 4.825485 4.192780 3.734766 21 C 6.546979 7.181571 6.021917 5.175993 4.924642 22 C 7.450042 7.934004 7.096984 5.256373 5.260338 23 C 7.209803 7.592772 7.121275 4.325469 4.491965 24 C 6.059762 6.473357 6.146528 3.083608 3.144679 25 H 4.735560 5.639341 4.112106 4.613944 3.963927 26 H 7.015762 7.702113 6.295815 6.131700 5.822285 27 C 8.879645 9.323127 8.434362 6.651812 6.745251 28 H 8.092403 8.373227 8.089908 4.811888 5.158594 29 H 6.223055 6.524862 6.538688 2.634012 2.916292 30 C 9.792968 10.406950 9.319802 7.112195 7.351977 31 C 10.188615 10.834798 9.891830 6.683883 7.164073 32 H 8.967673 9.375047 8.381942 7.381319 7.327971 33 H 9.408311 9.715565 9.065349 6.956514 7.133154 34 H 9.467579 10.207879 8.898452 7.072723 7.225798 35 H 10.744033 11.317120 10.212837 8.185453 8.423429 36 C 11.305200 12.069962 10.970720 7.634067 8.189231 37 H 9.383080 10.071439 9.175097 5.638699 6.165212 38 H 10.654181 11.176664 10.438205 6.979747 7.525666 39 H 12.129823 12.853694 11.729340 8.641317 9.159751 40 H 11.028502 11.903161 10.619444 7.598156 8.077955 41 C 11.933460 12.707029 11.748474 7.681447 8.425079 42 H 11.284630 12.096199 11.183298 6.818451 7.622763 43 H 12.370014 13.038812 12.248955 7.971224 8.767854 44 H 12.782686 13.620292 12.565167 8.534739 9.288751 6 7 8 9 10 6 N 0.000000 7 C 1.367053 0.000000 8 O 2.249595 1.198642 0.000000 9 N 2.299473 1.371826 2.264949 0.000000 10 C 2.646261 2.395367 3.505180 1.379169 0.000000 11 C 2.395579 2.851538 4.049981 2.406973 1.337733 12 H 3.817317 2.481845 2.335873 2.043622 3.285310 13 H 4.168323 3.056133 2.989351 2.734073 3.665422 14 H 5.404410 4.173967 4.144949 3.407661 4.199223 15 H 0.998581 2.007590 2.437328 3.191921 3.644630 16 H 3.711586 3.314231 4.319831 2.059417 1.069317 17 C 3.786863 4.338523 5.537077 3.761788 2.460655 18 H 4.629937 3.699550 4.121761 2.742712 3.053400 19 H 5.377914 4.247829 4.523552 3.121648 3.607663 20 C 4.808815 5.151140 6.323918 4.330856 2.999438 21 C 6.099693 6.513280 7.693525 5.687432 4.335033 22 C 6.560979 7.158851 8.357099 6.474401 5.106619 23 C 5.834185 6.582248 7.764993 6.092196 4.789632 24 C 4.468936 5.239841 6.412042 4.852604 3.628745 25 H 4.807195 4.927808 6.034145 3.987606 2.796453 26 H 6.923482 7.227627 8.377754 6.306227 5.001417 27 C 8.062828 8.672372 9.870464 7.961159 6.587034 28 H 6.500927 7.337244 8.493544 6.947603 5.692936 29 H 4.186580 5.094841 6.201013 4.945070 3.905683 30 C 8.690782 9.407605 10.597706 8.797761 7.459105 31 C 8.532267 9.435354 10.602838 9.036807 7.759173 32 H 8.582801 9.048319 10.235746 8.198649 6.824039 33 H 8.466727 9.125509 10.317400 8.466521 7.101856 34 H 8.508855 9.161971 10.334418 8.517591 7.213468 35 H 9.761669 10.453794 11.646403 9.799961 8.448333 36 C 9.518383 10.465738 11.602313 10.134747 8.909474 37 H 7.526826 8.480429 9.632286 8.168826 6.939157 38 H 8.910762 9.851358 11.017945 9.484953 8.200989 39 H 10.501354 11.409819 12.562011 11.008811 9.745262 40 H 9.354464 10.248129 11.364862 9.895908 8.708448 41 C 9.723424 10.804948 11.892860 10.660878 9.518082 42 H 8.880696 10.009495 11.062176 9.966369 8.895327 43 H 10.088893 11.203260 12.296356 11.079126 9.919080 44 H 10.550645 11.635580 12.700170 11.515543 10.402001 11 12 13 14 15 11 C 0.000000 12 H 4.426887 0.000000 13 H 4.670904 2.468610 0.000000 14 H 5.449071 2.494593 1.755703 0.000000 15 H 3.299159 4.428562 4.729145 6.090283 0.000000 16 H 2.102794 3.543105 3.885699 4.007978 4.709362 17 C 1.487771 5.725504 5.880956 6.491824 4.597846 18 H 4.173470 3.046345 1.767832 1.761020 5.433690 19 H 4.922096 2.314995 3.580621 2.480827 6.209134 20 C 2.493469 6.072200 6.537416 6.805941 5.671767 21 C 3.773370 7.404564 7.761319 7.959408 6.919765 22 C 4.310748 8.334919 8.393167 8.778942 7.290788 23 C 3.790952 8.073648 7.883652 8.529880 6.472405 24 C 2.523895 6.874826 6.680901 7.465088 5.117577 25 H 2.691389 5.494770 6.299165 6.366650 5.710625 26 H 4.621973 7.855458 8.384375 8.383356 7.768046 27 C 5.825144 9.782365 9.817079 10.122683 8.768832 28 H 4.646468 8.955290 8.581208 9.328278 7.044713 29 H 2.742650 6.981615 6.557621 7.565848 4.691104 30 C 6.594874 10.612731 10.894483 11.226558 9.318148 31 C 6.699200 10.945016 11.194424 11.739666 9.019474 32 H 6.249730 9.901651 9.964451 10.087729 9.360246 33 H 6.292845 10.341177 10.138461 10.536778 9.131963 34 H 6.427324 10.237375 10.755121 10.991452 9.160437 35 H 7.630643 11.586783 11.834881 12.103459 10.397997 36 C 7.837670 11.990345 12.436274 12.970482 9.934779 37 H 5.811458 10.096297 10.379979 11.010025 7.978032 38 H 7.107680 11.448266 11.478575 12.101875 9.367373 39 H 8.721378 12.852503 13.259325 13.726479 10.951345 40 H 7.700117 11.663057 12.318469 12.772224 9.788312 41 C 8.333548 12.555748 12.961217 13.664783 9.995424 42 H 7.671176 11.852000 12.297325 13.076799 9.090216 43 H 8.702262 13.031535 13.245843 14.016489 10.339550 44 H 9.232765 13.365246 13.886824 14.568222 10.789444 16 17 18 19 20 16 H 0.000000 17 C 2.685804 0.000000 18 H 2.808726 5.052081 0.000000 19 H 3.151349 5.779237 2.952225 0.000000 20 C 2.801962 1.393338 5.476564 5.646475 0.000000 21 C 4.020866 2.418259 6.562540 6.775338 1.384016 22 C 4.923854 2.823645 7.236814 7.880459 2.416770 23 C 4.839865 2.413895 6.911757 7.964878 2.751342 24 C 3.890248 1.393228 5.889471 7.033173 2.386704 25 H 2.460303 2.141298 5.248187 4.892062 1.075920 26 H 4.539192 3.386273 7.095352 6.961564 2.129362 27 C 6.320956 4.338117 8.571254 9.166638 3.801675 28 H 5.792371 3.379678 7.659859 8.932067 3.827674 29 H 4.360934 2.139617 5.985757 7.434858 3.364071 30 C 7.289767 5.146497 9.745697 10.076839 4.550497 31 C 7.796186 5.338647 10.234486 10.721152 5.077222 32 H 6.392722 4.798123 8.585224 9.034855 4.031092 33 H 6.873098 4.827569 8.905644 9.801985 4.537723 34 H 7.018204 5.047222 9.616906 9.634565 4.243770 35 H 8.211471 6.167721 10.614478 10.932382 5.514918 36 C 8.986097 6.560147 11.535693 11.797890 6.225081 37 H 7.085751 4.533742 9.532592 10.039188 4.437329 38 H 8.252422 5.741821 10.519171 11.273184 5.650393 39 H 9.739848 7.382438 12.268665 12.526392 6.953694 40 H 8.771484 6.485678 11.431802 11.427041 6.008243 41 C 9.748314 7.186857 12.227579 12.620669 7.100153 42 H 9.224737 6.647434 11.681920 12.078316 6.693926 43 H 10.155986 7.530609 12.507595 13.129952 7.559640 44 H 10.636952 8.123676 13.174742 13.428783 7.973242 21 22 23 24 25 21 C 0.000000 22 C 1.389868 0.000000 23 C 2.378109 1.390670 0.000000 24 C 2.759306 2.421983 1.384379 0.000000 25 H 2.127382 3.382019 3.826765 3.366626 0.000000 26 H 1.077192 2.137008 3.359288 3.836412 2.435834 27 C 2.520453 1.514675 2.542693 3.819708 4.646892 28 H 3.358843 2.137772 1.076453 2.124658 4.903152 29 H 3.830813 3.383770 2.126519 1.071715 4.262181 30 C 3.313130 2.562151 3.480484 4.678809 5.288330 31 C 4.099244 3.175313 3.543827 4.644751 5.899825 32 H 2.678511 2.128740 3.334496 4.497190 4.721360 33 H 3.376937 2.142714 2.669911 4.039733 5.468490 34 H 3.058308 2.777666 3.864223 4.863830 4.804302 35 H 4.207730 3.470601 4.409708 5.674829 6.210658 36 C 5.294058 4.580035 4.997969 5.980596 6.919500 37 H 3.698452 2.859443 2.964761 3.852317 5.276517 38 H 4.677133 3.518675 3.632318 4.823346 6.568402 39 H 5.887170 5.136726 5.679446 6.783506 7.639490 40 H 5.142506 4.707626 5.275214 6.129096 6.560835 41 C 6.357227 5.571002 5.654847 6.483187 7.830990 42 H 6.144788 5.438772 5.353210 5.980191 7.406362 43 H 6.784679 5.817196 5.755103 6.653828 8.383018 44 H 7.232504 6.538201 6.696866 7.495628 8.632169 26 27 28 29 30 26 H 0.000000 27 C 2.710876 0.000000 28 H 4.257082 2.748361 0.000000 29 H 4.907951 4.668227 2.430433 0.000000 30 C 3.306641 1.541348 3.606119 5.484053 0.000000 31 C 4.377777 2.588653 3.409083 5.227664 1.529597 32 H 2.508370 1.085956 3.652774 5.414681 2.141962 33 H 3.704573 1.086333 2.462802 4.712996 2.160399 34 H 2.821351 2.151659 4.241450 5.759905 1.087534 35 H 4.036191 2.144429 4.409250 6.461238 1.088379 36 C 5.406962 3.945909 4.885428 6.528249 2.548023 37 H 4.173773 2.834408 2.953915 4.384581 2.156331 38 H 5.058038 2.809534 3.176530 5.261822 2.149186 39 H 5.872217 4.210930 5.501708 7.364790 2.767520 40 H 5.129025 4.225483 5.373745 6.763765 2.772105 41 C 6.634647 5.138595 5.387370 6.816254 3.915259 42 H 6.537990 5.307419 5.153869 6.230433 4.236904 43 H 7.140135 5.296673 5.288794 6.882614 4.234668 44 H 7.418659 6.054240 6.466117 7.839030 4.715747 31 32 33 34 35 31 C 0.000000 32 H 3.491961 0.000000 33 H 2.819330 1.742556 0.000000 34 H 2.151908 2.473873 3.046897 0.000000 35 H 2.144516 2.391591 2.488834 1.745356 0.000000 36 C 1.531368 4.686189 4.234628 2.776118 2.757454 37 H 1.085746 3.827953 3.158199 2.503139 3.044985 38 H 1.089304 3.754651 2.602793 3.046197 2.489042 39 H 2.152890 4.795794 4.404939 3.089706 2.530328 40 H 2.150693 4.851386 4.751806 2.555996 3.078077 41 C 2.550325 6.005936 5.264214 4.202728 4.182456 42 H 2.812062 6.246304 5.494519 4.426065 4.740805 43 H 2.814470 6.203869 5.196574 4.756851 4.403569 44 H 3.495025 6.848004 6.227766 4.875778 4.853870 36 37 38 39 40 36 C 0.000000 37 H 2.147738 0.000000 38 H 2.150231 1.744928 0.000000 39 H 1.087881 3.043834 2.497288 0.000000 40 H 1.087746 2.493554 3.045268 1.743434 0.000000 41 C 1.529119 2.768139 2.771074 2.150057 2.149549 42 H 2.171305 2.590240 3.127638 3.059421 2.510188 43 H 2.171642 3.127093 2.594417 2.510673 3.059368 44 H 2.173649 3.764867 3.768183 2.489241 2.488785 41 42 43 44 41 C 0.000000 42 H 1.086109 0.000000 43 H 1.086473 1.753799 0.000000 44 H 1.085871 1.754412 1.754093 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.790100 -0.972069 0.483021 2 6 0 -5.358931 -1.448259 -0.845563 3 8 0 -4.248833 -2.026220 1.224271 4 8 0 -0.838554 2.672009 -0.434227 5 6 0 -1.633774 1.809869 -0.202676 6 7 0 -2.963264 2.144911 0.007028 7 6 0 -4.030120 1.317721 0.222453 8 8 0 -5.147710 1.731611 0.350622 9 7 0 -3.703356 -0.012329 0.300555 10 6 0 -2.410405 -0.441745 0.086108 11 6 0 -1.366410 0.364853 -0.135265 12 1 0 -5.551155 -0.460365 1.049749 13 1 0 -5.754175 -0.609944 -1.405948 14 1 0 -6.168988 -2.152060 -0.676358 15 1 0 -3.182270 3.117823 -0.044380 16 1 0 -2.295028 -1.504229 0.121538 17 6 0 0.006184 -0.185003 -0.299903 18 1 0 -4.592776 -1.942475 -1.433208 19 1 0 -4.927927 -2.660480 1.410693 20 6 0 0.456141 -1.192175 0.551292 21 6 0 1.708886 -1.757788 0.389394 22 6 0 2.570659 -1.324905 -0.611453 23 6 0 2.123677 -0.311130 -1.451946 24 6 0 0.869611 0.255398 -1.300715 25 1 0 -0.169592 -1.525578 1.360554 26 1 0 2.023692 -2.541193 1.058360 27 6 0 3.951071 -1.933141 -0.748386 28 1 0 2.761083 0.041461 -2.244503 29 1 0 0.566817 1.046348 -1.957440 30 6 0 4.992300 -1.346668 0.225085 31 6 0 5.327289 0.128421 -0.001988 32 1 0 3.882325 -3.000804 -0.562183 33 1 0 4.305662 -1.816817 -1.768608 34 1 0 4.633076 -1.484173 1.242326 35 1 0 5.905272 -1.932216 0.134606 36 6 0 6.387380 0.650361 0.972113 37 1 0 4.428990 0.730654 0.094026 38 1 0 5.684918 0.260526 -1.022397 39 1 0 7.290063 0.050359 0.879125 40 1 0 6.032451 0.519073 1.991908 41 6 0 6.732261 2.122314 0.742730 42 1 0 5.855477 2.752515 0.859893 43 1 0 7.121188 2.281801 -0.259130 44 1 0 7.483692 2.466174 1.447164 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6087946 0.1069639 0.0964729 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.6345011878 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.85D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999969 0.007857 0.000167 0.000548 Ang= 0.90 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.115764525 A.U. after 13 cycles NFock= 13 Conv=0.58D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.001348623 -0.000938892 0.001263751 2 6 -0.000680282 -0.000034193 -0.000397664 3 8 0.000358723 0.000225047 -0.000077418 4 8 -0.000084257 -0.001659762 0.000795617 5 6 -0.002566405 0.001923840 0.000965237 6 7 0.001104943 0.001061094 0.000173968 7 6 0.000690948 -0.005301175 -0.002910313 8 8 -0.000607625 0.001648504 0.001122182 9 7 -0.001433680 0.003300713 0.000911359 10 6 0.000628795 -0.000077922 -0.000239260 11 6 0.001441412 0.000959887 0.000671964 12 1 -0.000424744 0.000126992 -0.000552492 13 1 0.000061863 0.000014004 0.000013669 14 1 -0.000020990 -0.000076390 -0.000080854 15 1 -0.000050955 -0.000017241 0.000214489 16 1 -0.000190839 -0.000448179 -0.000222073 17 6 -0.001420781 -0.001842413 -0.000945032 18 1 0.000035939 0.000032976 0.000035755 19 1 -0.000390140 -0.000017432 -0.000157764 20 6 -0.000700069 0.000549090 -0.000313375 21 6 -0.000128324 0.000031907 -0.000391856 22 6 0.001197798 0.000210205 0.000723002 23 6 0.000012303 0.000328295 0.000307331 24 6 0.001341807 -0.001312073 0.000448058 25 1 -0.000073020 0.000314620 0.000320713 26 1 0.000374399 0.000114240 -0.000448495 27 6 -0.000478564 -0.000930697 -0.002135128 28 1 0.000000001 -0.000382385 -0.000332371 29 1 0.000508619 0.001015532 -0.000208388 30 6 0.000396394 0.000895261 0.000750484 31 6 -0.000557616 -0.000919222 0.000212776 32 1 -0.000247795 0.000694618 0.000725455 33 1 0.000135105 0.000247196 -0.000241887 34 1 -0.000509595 -0.000490969 -0.000177431 35 1 0.000468062 -0.000414214 0.000160410 36 6 0.000111224 0.001150804 -0.000318635 37 1 0.000090332 0.000406953 0.000025721 38 1 0.000253970 0.000348752 -0.000285960 39 1 0.000013063 -0.000406798 0.000025066 40 1 -0.000176994 -0.000240970 0.000168585 41 6 0.000085929 -0.000068942 0.000277782 42 1 0.000018589 0.000000302 -0.000010094 43 1 -0.000003813 0.000003959 -0.000004414 44 1 0.000067648 -0.000024922 0.000137531 ------------------------------------------------------------------- Cartesian Forces: Max 0.005301175 RMS 0.000914840 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004275122 RMS 0.000642560 Search for a local minimum. Step number 17 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 16 17 DE= -7.18D-04 DEPred=-7.53D-04 R= 9.54D-01 TightC=F SS= 1.41D+00 RLast= 2.60D-01 DXNew= 1.3131D+00 7.8004D-01 Trust test= 9.54D-01 RLast= 2.60D-01 DXMaxT set to 7.81D-01 ITU= 1 1 1 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00241 0.00267 0.00289 0.00301 Eigenvalues --- 0.00364 0.00663 0.01456 0.01478 0.01504 Eigenvalues --- 0.01515 0.01579 0.01707 0.01788 0.01862 Eigenvalues --- 0.01885 0.02048 0.02100 0.02112 0.02142 Eigenvalues --- 0.02418 0.02441 0.02479 0.02494 0.02602 Eigenvalues --- 0.03433 0.03452 0.03526 0.04283 0.04677 Eigenvalues --- 0.04769 0.04788 0.05132 0.05174 0.05334 Eigenvalues --- 0.05424 0.05446 0.05505 0.05569 0.05614 Eigenvalues --- 0.05666 0.08304 0.08345 0.08643 0.08721 Eigenvalues --- 0.09670 0.12177 0.12240 0.12331 0.13002 Eigenvalues --- 0.14434 0.15796 0.15967 0.15997 0.15999 Eigenvalues --- 0.16000 0.16003 0.16005 0.16009 0.16032 Eigenvalues --- 0.16108 0.16215 0.16421 0.18031 0.19862 Eigenvalues --- 0.20438 0.21588 0.21704 0.21958 0.22034 Eigenvalues --- 0.22732 0.23059 0.23154 0.24011 0.24341 Eigenvalues --- 0.24945 0.24988 0.25079 0.25746 0.26371 Eigenvalues --- 0.28092 0.28339 0.28902 0.29125 0.29701 Eigenvalues --- 0.30687 0.31631 0.32571 0.33116 0.33536 Eigenvalues --- 0.33552 0.33668 0.33695 0.33700 0.33722 Eigenvalues --- 0.33731 0.33745 0.33753 0.33762 0.33784 Eigenvalues --- 0.33829 0.33872 0.34177 0.34667 0.34968 Eigenvalues --- 0.37412 0.37859 0.38151 0.38572 0.39073 Eigenvalues --- 0.40145 0.43574 0.44465 0.47755 0.49201 Eigenvalues --- 0.50633 0.51631 0.52115 0.53717 0.55116 Eigenvalues --- 0.56207 0.56962 0.59216 0.66402 0.89016 Eigenvalues --- 0.91274 RFO step: Lambda=-6.55849604D-04 EMin= 2.30098409D-03 Quartic linear search produced a step of 0.01983. Iteration 1 RMS(Cart)= 0.06069188 RMS(Int)= 0.00070062 Iteration 2 RMS(Cart)= 0.00146358 RMS(Int)= 0.00004321 Iteration 3 RMS(Cart)= 0.00000088 RMS(Int)= 0.00004321 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87553 -0.00036 0.00006 -0.00073 -0.00067 2.87486 R2 2.64133 -0.00029 0.00002 -0.00048 -0.00046 2.64087 R3 2.76146 0.00032 0.00002 0.00193 0.00195 2.76341 R4 2.03725 -0.00006 0.00004 0.00021 0.00024 2.03749 R5 2.04669 0.00001 0.00003 0.00045 0.00049 2.04718 R6 2.05291 -0.00006 0.00004 0.00031 0.00034 2.05325 R7 2.04978 -0.00001 0.00003 0.00045 0.00048 2.05027 R8 1.79097 -0.00039 0.00007 0.00050 0.00058 1.79154 R9 2.25921 -0.00082 0.00006 -0.00038 -0.00032 2.25889 R10 2.62105 0.00066 0.00001 0.00162 0.00163 2.62268 R11 2.77995 -0.00178 -0.00010 -0.00139 -0.00151 2.77844 R12 2.58335 -0.00041 -0.00000 -0.00053 -0.00051 2.58284 R13 1.88704 -0.00021 -0.00002 -0.00041 -0.00043 1.88661 R14 2.26510 -0.00040 0.00009 0.00063 0.00072 2.26582 R15 2.59238 0.00024 0.00001 -0.00044 -0.00041 2.59196 R16 2.60625 -0.00053 0.00005 -0.00021 -0.00015 2.60610 R17 2.52795 -0.00069 0.00001 -0.00081 -0.00082 2.52713 R18 2.02072 -0.00002 -0.00003 -0.00066 -0.00068 2.02004 R19 2.81148 -0.00097 -0.00002 0.00196 0.00194 2.81342 R20 2.63303 -0.00110 0.00005 0.00074 0.00080 2.63382 R21 2.63282 -0.00212 -0.00004 -0.00539 -0.00543 2.62739 R22 2.61541 -0.00050 0.00000 -0.00330 -0.00329 2.61213 R23 2.03319 -0.00021 -0.00002 -0.00106 -0.00107 2.03212 R24 2.62647 -0.00007 0.00002 0.00196 0.00198 2.62845 R25 2.03560 -0.00034 -0.00003 -0.00124 -0.00127 2.03433 R26 2.62798 -0.00061 -0.00000 -0.00442 -0.00443 2.62356 R27 2.86232 -0.00002 -0.00000 -0.00033 -0.00034 2.86199 R28 2.61610 -0.00095 0.00006 0.00133 0.00139 2.61748 R29 2.03420 -0.00018 -0.00002 -0.00048 -0.00050 2.03370 R30 2.02525 0.00102 0.00002 0.00103 0.00105 2.02630 R31 2.91273 -0.00086 -0.00007 -0.00403 -0.00410 2.90863 R32 2.05216 0.00030 0.00007 0.00230 0.00237 2.05453 R33 2.05287 0.00007 0.00000 0.00006 0.00006 2.05293 R34 2.89052 -0.00008 -0.00002 -0.00030 -0.00032 2.89020 R35 2.05514 0.00010 -0.00000 0.00019 0.00018 2.05533 R36 2.05674 -0.00016 0.00006 0.00032 0.00038 2.05712 R37 2.89387 -0.00049 0.00001 -0.00134 -0.00133 2.89254 R38 2.05176 0.00020 0.00006 0.00150 0.00156 2.05333 R39 2.05849 0.00008 0.00001 0.00029 0.00031 2.05879 R40 2.05580 0.00014 0.00002 0.00055 0.00057 2.05637 R41 2.05554 0.00006 0.00004 0.00068 0.00072 2.05626 R42 2.88962 -0.00044 0.00003 -0.00092 -0.00089 2.88873 R43 2.05245 0.00002 0.00002 0.00034 0.00037 2.05281 R44 2.05314 0.00000 0.00003 0.00031 0.00033 2.05347 R45 2.05200 -0.00009 0.00003 0.00023 0.00026 2.05226 A1 1.95172 0.00020 -0.00004 0.00105 0.00100 1.95272 A2 1.95467 -0.00053 -0.00002 -0.00434 -0.00435 1.95031 A3 1.92157 0.00036 -0.00004 0.00299 0.00293 1.92450 A4 1.84789 0.00014 0.00001 -0.00098 -0.00097 1.84691 A5 1.93111 0.00001 0.00008 0.00436 0.00442 1.93553 A6 1.85345 -0.00022 0.00002 -0.00340 -0.00338 1.85007 A7 1.92405 0.00004 -0.00001 -0.00008 -0.00009 1.92396 A8 1.92356 -0.00018 0.00006 -0.00029 -0.00024 1.92333 A9 1.93003 0.00011 -0.00004 0.00051 0.00047 1.93050 A10 1.88591 0.00002 -0.00000 -0.00014 -0.00014 1.88578 A11 1.90722 -0.00002 0.00000 0.00014 0.00014 1.90736 A12 1.89219 0.00002 -0.00001 -0.00015 -0.00015 1.89204 A13 1.90876 0.00026 -0.00011 -0.00045 -0.00055 1.90821 A14 2.08595 0.00138 0.00013 0.00048 0.00059 2.08654 A15 2.20974 -0.00123 -0.00017 -0.00101 -0.00120 2.20853 A16 1.98729 -0.00013 0.00005 0.00081 0.00079 1.98809 A17 2.24683 -0.00063 -0.00016 -0.00252 -0.00267 2.24417 A18 2.02393 0.00030 0.00007 0.00138 0.00143 2.02537 A19 2.01141 0.00033 0.00009 0.00142 0.00149 2.01290 A20 2.13595 0.00018 -0.00006 -0.00062 -0.00095 2.13501 A21 1.99297 0.00021 0.00016 0.00223 0.00221 1.99518 A22 2.15410 -0.00036 -0.00010 -0.00093 -0.00130 2.15281 A23 2.05639 -0.00017 0.00004 0.00148 0.00123 2.05763 A24 2.10844 0.00001 0.00006 0.00107 0.00085 2.10929 A25 2.11336 0.00021 -0.00007 0.00138 0.00109 2.11444 A26 2.17685 -0.00084 -0.00009 -0.00159 -0.00169 2.17516 A27 1.98818 0.00068 0.00030 0.00420 0.00450 1.99268 A28 2.11810 0.00016 -0.00021 -0.00262 -0.00282 2.11528 A29 2.04656 0.00122 0.00012 0.00172 0.00180 2.04836 A30 2.12426 -0.00428 -0.00009 -0.00680 -0.00687 2.11739 A31 2.11236 0.00306 -0.00002 0.00508 0.00508 2.11743 A32 2.09149 0.00296 0.00001 0.00545 0.00545 2.09694 A33 2.13462 -0.00377 -0.00012 -0.00613 -0.00625 2.12837 A34 2.05692 0.00082 0.00011 0.00054 0.00063 2.05755 A35 2.11327 -0.00041 -0.00003 0.00067 0.00063 2.11389 A36 2.08941 0.00019 -0.00007 -0.00042 -0.00052 2.08889 A37 2.08032 0.00022 0.00011 -0.00006 0.00003 2.08036 A38 2.11552 -0.00034 -0.00008 -0.00199 -0.00207 2.11345 A39 2.08185 -0.00024 -0.00002 -0.00227 -0.00230 2.07955 A40 2.08577 0.00059 0.00010 0.00431 0.00440 2.09017 A41 2.05214 0.00014 0.00012 0.00148 0.00158 2.05373 A42 2.10031 0.00134 0.00014 0.00849 0.00863 2.10894 A43 2.13060 -0.00148 -0.00026 -0.00993 -0.01018 2.12042 A44 2.12170 -0.00027 -0.00005 -0.00066 -0.00073 2.12097 A45 2.08684 0.00004 -0.00009 -0.00103 -0.00111 2.08572 A46 2.07463 0.00023 0.00013 0.00172 0.00186 2.07649 A47 2.10657 0.00007 -0.00006 0.00016 0.00008 2.10666 A48 2.09253 -0.00041 -0.00006 -0.00053 -0.00058 2.09195 A49 2.08405 0.00034 0.00012 0.00038 0.00051 2.08456 A50 1.98861 0.00150 -0.00007 0.00713 0.00699 1.99560 A51 1.89822 -0.00045 0.00023 0.00480 0.00492 1.90313 A52 1.91706 -0.00073 -0.00006 -0.00937 -0.00942 1.90763 A53 1.88447 0.00000 0.00011 0.00946 0.00949 1.89396 A54 1.90910 -0.00037 -0.00018 -0.00766 -0.00783 1.90128 A55 1.86186 -0.00003 -0.00001 -0.00467 -0.00465 1.85721 A56 2.00548 -0.00090 -0.00028 -0.00959 -0.00985 1.99563 A57 1.89600 0.00076 0.00007 0.01054 0.01060 1.90661 A58 1.88541 0.00003 0.00019 0.00119 0.00138 1.88679 A59 1.91042 0.00005 -0.00008 0.00038 0.00032 1.91074 A60 1.89946 0.00050 0.00018 0.00430 0.00448 1.90394 A61 1.86169 -0.00043 -0.00006 -0.00682 -0.00688 1.85481 A62 1.96694 0.00009 0.00001 0.00278 0.00278 1.96972 A63 1.91833 -0.00013 0.00001 -0.00187 -0.00187 1.91647 A64 1.90489 0.00015 -0.00002 0.00145 0.00142 1.90631 A65 1.90439 0.00014 0.00003 0.00222 0.00224 1.90663 A66 1.90420 -0.00005 0.00008 0.00162 0.00169 1.90589 A67 1.86210 -0.00021 -0.00011 -0.00671 -0.00682 1.85528 A68 1.90927 0.00012 -0.00005 0.00058 0.00053 1.90981 A69 1.90641 0.00003 0.00004 0.00047 0.00050 1.90691 A70 1.97013 -0.00008 0.00003 0.00147 0.00149 1.97162 A71 1.85909 -0.00020 -0.00007 -0.00449 -0.00456 1.85453 A72 1.90810 0.00005 0.00003 0.00104 0.00106 1.90917 A73 1.90754 0.00008 0.00002 0.00057 0.00059 1.90813 A74 1.93938 0.00002 -0.00002 -0.00003 -0.00005 1.93933 A75 1.93946 0.00004 -0.00003 0.00001 -0.00002 1.93944 A76 1.94292 -0.00019 0.00000 -0.00077 -0.00077 1.94214 A77 1.87893 -0.00000 0.00002 0.00024 0.00026 1.87918 A78 1.88064 0.00006 0.00002 0.00027 0.00029 1.88093 A79 1.87969 0.00007 0.00001 0.00034 0.00035 1.88003 D1 -3.12326 0.00010 0.00003 0.00146 0.00148 -3.12178 D2 1.07961 0.00016 0.00000 0.00186 0.00186 1.08148 D3 -1.01227 0.00018 -0.00000 0.00191 0.00190 -1.01037 D4 -1.05230 0.00006 0.00000 -0.00202 -0.00202 -1.05432 D5 -3.13261 0.00012 -0.00002 -0.00161 -0.00164 -3.13425 D6 1.05868 0.00013 -0.00003 -0.00157 -0.00160 1.05709 D7 1.00562 -0.00031 -0.00001 -0.00704 -0.00706 0.99856 D8 -1.07469 -0.00026 -0.00004 -0.00663 -0.00668 -1.08137 D9 3.11661 -0.00024 -0.00005 -0.00659 -0.00664 3.10997 D10 -1.05914 -0.00032 0.00010 -0.00158 -0.00149 -1.06063 D11 3.09072 0.00012 0.00013 0.00377 0.00390 3.09462 D12 1.08977 0.00030 0.00007 0.00618 0.00625 1.09602 D13 1.55843 0.00029 0.00008 0.02675 0.02684 1.58527 D14 -1.47707 -0.00018 -0.00022 -0.01488 -0.01510 -1.49217 D15 -2.59331 0.00032 0.00003 0.02484 0.02488 -2.56844 D16 0.65438 -0.00015 -0.00027 -0.01679 -0.01706 0.63731 D17 -0.53968 0.00030 0.00013 0.02775 0.02788 -0.51181 D18 2.70801 -0.00017 -0.00017 -0.01389 -0.01406 2.69394 D19 3.08435 0.00070 -0.00081 0.01760 0.01678 3.10113 D20 -0.00622 0.00064 -0.00081 0.01052 0.00971 0.00349 D21 -0.03686 -0.00001 0.00036 0.00374 0.00410 -0.03276 D22 -3.12743 -0.00008 0.00036 -0.00334 -0.00297 -3.13040 D23 -3.09607 -0.00037 0.00079 -0.00983 -0.00905 -3.10511 D24 0.04974 -0.00054 0.00103 -0.01154 -0.01050 0.03923 D25 0.02343 0.00045 -0.00049 0.00522 0.00471 0.02814 D26 -3.11395 0.00028 -0.00025 0.00351 0.00325 -3.11070 D27 -3.10029 0.00094 -0.00054 0.01586 0.01535 -3.08494 D28 0.05985 -0.00066 -0.00000 -0.02388 -0.02386 0.03599 D29 -0.00942 0.00101 -0.00054 0.02290 0.02237 0.01296 D30 -3.13246 -0.00060 -0.00000 -0.01683 -0.01684 3.13389 D31 -3.10519 0.00045 -0.00053 -0.00634 -0.00685 -3.11204 D32 -0.07001 0.00091 -0.00023 0.03539 0.03520 -0.03481 D33 0.05517 -0.00118 0.00001 -0.04655 -0.04652 0.00865 D34 3.09035 -0.00072 0.00032 -0.00481 -0.00447 3.08588 D35 3.10006 -0.00015 0.00036 0.01268 0.01307 3.11313 D36 -0.05335 -0.00021 0.00035 0.01201 0.01237 -0.04099 D37 0.06805 -0.00062 0.00005 -0.03032 -0.03025 0.03780 D38 -3.08537 -0.00067 0.00003 -0.03100 -0.03095 -3.11632 D39 -0.04141 -0.00014 0.00033 0.00790 0.00822 -0.03319 D40 3.09600 0.00001 0.00009 0.00957 0.00965 3.10564 D41 3.11283 -0.00008 0.00034 0.00858 0.00893 3.12176 D42 -0.03294 0.00007 0.00010 0.01024 0.01035 -0.02259 D43 2.38223 0.00016 -0.00195 0.01094 0.00898 2.39121 D44 -0.77896 0.00014 -0.00201 0.00223 0.00022 -0.77874 D45 -0.75500 -0.00000 -0.00170 0.00917 0.00748 -0.74752 D46 2.36700 -0.00003 -0.00176 0.00047 -0.00128 2.36571 D47 3.09821 -0.00002 0.00004 -0.00125 -0.00124 3.09697 D48 -0.06413 0.00011 0.00027 0.00911 0.00936 -0.05477 D49 -0.02465 0.00006 0.00009 0.00715 0.00725 -0.01740 D50 3.09620 0.00019 0.00032 0.01751 0.01785 3.11405 D51 -3.10328 -0.00008 -0.00007 -0.00161 -0.00170 -3.10499 D52 0.04716 -0.00014 0.00011 -0.00369 -0.00360 0.04357 D53 0.01908 -0.00008 -0.00013 -0.01010 -0.01022 0.00886 D54 -3.11366 -0.00014 0.00005 -0.01217 -0.01211 -3.12577 D55 0.02062 -0.00008 -0.00010 -0.00548 -0.00557 0.01505 D56 -3.13145 -0.00007 0.00018 -0.00014 0.00004 -3.13141 D57 -3.10034 -0.00021 -0.00032 -0.01579 -0.01611 -3.11645 D58 0.03079 -0.00020 -0.00004 -0.01045 -0.01050 0.02028 D59 -0.00996 0.00011 0.00012 0.00626 0.00639 -0.00357 D60 3.11396 0.00012 0.00018 0.00837 0.00857 3.12253 D61 -3.14106 0.00010 -0.00016 0.00095 0.00078 -3.14027 D62 -0.01714 0.00011 -0.00010 0.00306 0.00297 -0.01417 D63 0.00447 -0.00014 -0.00015 -0.00928 -0.00943 -0.00497 D64 -3.13048 -0.00018 -0.00023 -0.01492 -0.01515 3.13755 D65 -3.11912 -0.00018 -0.00022 -0.01163 -0.01184 -3.13096 D66 0.02912 -0.00023 -0.00030 -0.01727 -0.01756 0.01156 D67 -1.41501 0.00001 0.00065 0.06969 0.07033 -1.34468 D68 0.68786 0.00067 0.00091 0.08987 0.09079 0.77865 D69 2.71953 -0.00004 0.00099 0.08177 0.08276 2.80229 D70 1.70809 0.00004 0.00072 0.07203 0.07273 1.78082 D71 -2.47222 0.00071 0.00098 0.09220 0.09320 -2.37903 D72 -0.44055 -0.00000 0.00106 0.08410 0.08516 -0.35539 D73 -0.00943 0.00013 0.00016 0.01149 0.01165 0.00222 D74 3.12335 0.00019 -0.00001 0.01356 0.01353 3.13688 D75 3.12556 0.00018 0.00024 0.01708 0.01733 -3.14029 D76 -0.02484 0.00023 0.00006 0.01914 0.01921 -0.00563 D77 -1.14141 0.00012 0.00013 -0.00356 -0.00340 -1.14481 D78 1.00476 0.00014 -0.00012 -0.00167 -0.00178 1.00299 D79 3.01787 0.00005 -0.00005 -0.00359 -0.00361 3.01425 D80 3.03121 -0.00028 -0.00019 -0.02099 -0.02120 3.01001 D81 -1.10580 -0.00026 -0.00044 -0.01910 -0.01958 -1.12538 D82 0.90731 -0.00035 -0.00038 -0.02101 -0.02142 0.88589 D83 1.01155 -0.00005 -0.00014 -0.01656 -0.01669 0.99486 D84 -3.12546 -0.00002 -0.00039 -0.01467 -0.01507 -3.14053 D85 -1.11236 -0.00011 -0.00033 -0.01659 -0.01690 -1.12926 D86 -3.12006 0.00024 -0.00020 0.00722 0.00703 -3.11303 D87 1.03491 0.00010 -0.00025 0.00381 0.00357 1.03848 D88 -1.00162 0.00034 -0.00010 0.01213 0.01204 -0.98959 D89 1.02469 -0.00016 -0.00003 -0.00006 -0.00010 1.02459 D90 -1.10353 -0.00030 -0.00007 -0.00347 -0.00355 -1.10708 D91 -3.14006 -0.00005 0.00007 0.00484 0.00491 -3.13514 D92 -1.00380 0.00005 -0.00001 0.00547 0.00545 -0.99835 D93 -3.13202 -0.00010 -0.00006 0.00206 0.00200 -3.13002 D94 1.11464 0.00015 0.00009 0.01038 0.01046 1.12510 D95 1.00625 -0.00001 0.00005 0.00139 0.00144 1.00768 D96 -1.02240 0.00016 0.00014 0.00618 0.00632 -1.01608 D97 3.13490 0.00009 0.00007 0.00413 0.00420 3.13910 D98 -3.14086 -0.00001 0.00009 0.00246 0.00255 -3.13831 D99 1.11368 0.00015 0.00017 0.00726 0.00743 1.12111 D100 -1.01221 0.00008 0.00011 0.00520 0.00531 -1.00689 D101 -1.11259 -0.00022 0.00001 -0.00343 -0.00342 -1.11600 D102 -3.14123 -0.00006 0.00010 0.00137 0.00147 -3.13976 D103 1.01607 -0.00013 0.00003 -0.00068 -0.00065 1.01542 D104 1.04342 -0.00001 0.00003 -0.00015 -0.00011 1.04331 D105 -1.04837 -0.00005 0.00004 -0.00043 -0.00039 -1.04876 D106 3.13969 -0.00004 0.00004 -0.00034 -0.00030 3.13940 D107 -3.11045 0.00012 0.00001 0.00234 0.00235 -3.10810 D108 1.08094 0.00008 0.00002 0.00205 0.00207 1.08302 D109 -1.01418 0.00009 0.00002 0.00214 0.00217 -1.01201 D110 -1.08183 -0.00005 -0.00004 -0.00214 -0.00218 -1.08401 D111 3.10957 -0.00009 -0.00004 -0.00243 -0.00246 3.10710 D112 1.01445 -0.00008 -0.00003 -0.00234 -0.00237 1.01208 Item Value Threshold Converged? Maximum Force 0.004275 0.000450 NO RMS Force 0.000643 0.000300 NO Maximum Displacement 0.240285 0.001800 NO RMS Displacement 0.060640 0.001200 NO Predicted change in Energy=-3.475193D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.010700 -4.616261 2.479537 2 6 0 7.178566 -3.434109 3.422256 3 8 0 6.735679 -5.799044 3.171172 4 8 0 2.866895 -3.687124 -0.943105 5 6 0 3.718127 -3.952030 -0.146799 6 7 0 5.041181 -3.644125 -0.431211 7 6 0 6.145589 -3.822462 0.354007 8 8 0 7.237808 -3.461404 0.015858 9 7 0 5.889646 -4.421711 1.560946 10 6 0 4.605052 -4.760453 1.931023 11 6 0 3.522704 -4.586391 1.165125 12 1 0 7.886389 -4.727497 1.860427 13 1 0 7.370666 -2.529393 2.858193 14 1 0 8.021280 -3.601409 4.087386 15 1 0 5.209209 -3.202745 -1.310788 16 1 0 4.530776 -5.198766 2.903151 17 6 0 2.173806 -5.021007 1.621306 18 1 0 6.287498 -3.297548 4.025973 19 1 0 7.456106 -5.995895 3.755142 20 6 0 2.011853 -6.252571 2.253437 21 6 0 0.778427 -6.653300 2.731731 22 6 0 -0.346012 -5.848348 2.582294 23 6 0 -0.184554 -4.627958 1.940397 24 6 0 1.050563 -4.216139 1.467712 25 1 0 2.856196 -6.909124 2.364799 26 1 0 0.691274 -7.607062 3.223300 27 6 0 -1.699394 -6.303933 3.086775 28 1 0 -1.035734 -3.983388 1.805473 29 1 0 1.136297 -3.268699 0.972970 30 6 0 -2.393356 -7.344527 2.189748 31 6 0 -2.788063 -6.822199 0.807528 32 1 0 -1.582942 -6.728010 4.081069 33 1 0 -2.351033 -5.441513 3.195336 34 1 0 -1.745378 -8.210960 2.078571 35 1 0 -3.285397 -7.694984 2.705938 36 6 0 -3.510403 -7.871798 -0.040708 37 1 0 -1.903764 -6.479830 0.277015 38 1 0 -3.431501 -5.950741 0.923665 39 1 0 -4.398564 -8.214372 0.486505 40 1 0 -2.869274 -8.743429 -0.155750 41 6 0 -3.909158 -7.351239 -1.421569 42 1 0 -3.037654 -7.032406 -1.986261 43 1 0 -4.579290 -6.499675 -1.340514 44 1 0 -4.416817 -8.117423 -2.000064 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521309 0.000000 3 O 1.397487 2.419113 0.000000 4 O 5.454254 6.140920 6.029509 0.000000 5 C 4.263787 4.998103 4.850362 1.195355 0.000000 6 N 3.646438 4.411545 4.526828 2.234144 1.387864 7 C 2.428253 3.260676 3.491633 3.528547 2.481968 8 O 2.730382 3.407022 3.958876 4.480562 3.557432 9 N 1.462334 2.470050 2.281589 3.993359 2.802229 10 C 2.471599 3.256676 2.675110 3.526165 2.399485 11 C 3.727557 4.448339 3.977180 2.383988 1.470288 12 H 1.078195 2.147831 2.047047 5.842729 4.690918 13 H 2.151272 1.083319 3.345412 6.006176 4.939120 14 H 2.153225 1.086533 2.705886 7.202838 6.047180 15 H 4.428314 5.131628 5.399894 2.419968 2.034606 16 H 2.582399 3.224016 2.300819 4.455025 3.393662 17 C 4.929089 5.550612 4.880380 2.972511 2.579503 18 H 2.157195 1.084955 2.681237 6.045166 4.943889 19 H 1.931048 2.598189 0.948043 6.961667 5.777111 20 C 5.264703 6.000399 4.833473 4.186944 3.736976 21 C 6.561581 7.197347 6.034212 5.163751 4.921853 22 C 7.459879 7.946909 7.106304 5.236612 5.249876 23 C 7.215434 7.605046 7.125720 4.302453 4.477073 24 C 6.058640 6.479525 6.142306 3.064468 3.129265 25 H 4.746608 5.645957 4.114961 4.617752 3.974350 26 H 7.030875 7.716092 6.309238 6.120308 5.820538 27 C 8.892846 9.336306 8.450592 6.628622 6.733274 28 H 8.099382 8.389900 8.096703 4.782570 5.139217 29 H 6.212429 6.521915 6.525934 2.615606 2.895975 30 C 9.796105 10.413075 9.310800 7.131733 7.370123 31 C 10.182215 10.846642 9.865866 6.698654 7.174895 32 H 8.993057 9.383382 8.419641 7.368200 7.326819 33 H 9.425256 9.741377 9.093775 6.887042 7.086828 34 H 9.473728 10.210807 8.884788 7.132229 7.276032 35 H 10.748925 11.320897 10.209457 8.199339 8.437841 36 C 11.297954 12.080532 10.935936 7.680869 8.223593 37 H 9.369720 10.082543 9.136717 5.661016 6.178597 38 H 10.641481 11.187042 10.413734 6.948279 7.500528 39 H 12.128061 12.864660 11.705239 8.679093 9.189630 40 H 11.026882 11.914282 10.582672 7.686989 8.145640 41 C 11.913942 12.717868 11.696801 7.718133 8.447197 42 H 11.258353 12.106649 11.119278 6.866061 7.649373 43 H 12.347789 13.051010 12.201423 7.969571 8.761426 44 H 12.763741 13.630403 12.509786 8.590529 9.325364 6 7 8 9 10 6 N 0.000000 7 C 1.366780 0.000000 8 O 2.249095 1.199020 0.000000 9 N 2.300701 1.371607 2.264293 0.000000 10 C 2.648877 2.395842 3.505252 1.379089 0.000000 11 C 2.396232 2.849741 4.048259 2.405454 1.337301 12 H 3.810579 2.473616 2.329395 2.042101 3.282262 13 H 4.182021 3.073074 2.994188 2.730775 3.672314 14 H 5.412997 4.183922 4.148587 3.405827 4.202845 15 H 0.998351 2.008084 2.437644 3.193075 3.647026 16 H 3.714215 3.316620 4.322373 2.062004 1.068957 17 C 3.785561 4.337927 5.536600 3.764342 2.464704 18 H 4.641111 3.712008 4.124435 2.738319 3.059335 19 H 5.374778 4.243700 4.522560 3.121914 3.603087 20 C 4.815408 5.157619 6.333085 4.343831 3.009160 21 C 6.101673 6.517181 7.699855 5.698710 4.343623 22 C 6.554514 7.156141 8.354544 6.477799 5.110841 23 C 5.822436 6.575421 7.756040 6.089535 4.791447 24 C 4.456248 5.230164 6.399962 4.844346 3.625649 25 H 4.822038 4.938712 6.050026 4.004401 2.804184 26 H 6.926905 7.232260 8.386374 6.319253 5.009073 27 C 8.055195 8.670033 9.868337 7.966458 6.592733 28 H 6.484347 7.328305 8.480960 6.943545 5.695442 29 H 4.166628 5.077674 6.179129 4.926407 3.895569 30 C 8.708315 9.417455 10.609607 8.806042 7.464723 31 C 8.540005 9.434735 10.603761 9.035077 7.757008 32 H 8.587784 9.058885 10.247062 8.216424 6.839974 33 H 8.427768 9.104233 10.294454 8.462861 7.102777 34 H 8.556423 9.192409 10.368736 8.539317 7.228812 35 H 9.776659 10.462863 11.657511 9.808504 8.454061 36 C 9.547529 10.478125 11.618038 10.140479 8.912283 37 H 7.534924 8.477005 9.630547 8.162204 6.932293 38 H 8.884959 9.827244 10.993409 9.467198 8.186436 39 H 10.527969 11.423029 12.578448 11.017530 9.750963 40 H 9.415630 10.283167 11.405365 9.916803 8.722630 41 C 9.738176 10.802910 11.893354 10.653361 9.510195 42 H 8.897539 10.005625 11.060996 9.954652 8.883571 43 H 10.076431 11.183108 12.276589 11.060517 9.903534 44 H 10.579481 11.642713 12.711126 11.513569 10.397923 11 12 13 14 15 11 C 0.000000 12 H 4.420984 0.000000 13 H 4.680227 2.468434 0.000000 14 H 5.454080 2.499124 1.755971 0.000000 15 H 3.299836 4.421399 4.744017 6.099751 0.000000 16 H 2.100463 3.545351 3.897762 4.017161 4.711863 17 C 1.488798 5.725114 5.894521 6.503058 4.595315 18 H 4.182063 3.048082 1.768340 1.761279 5.445431 19 H 4.915947 2.320329 3.581683 2.482614 6.205956 20 C 2.498650 6.081980 6.553217 6.819475 5.676990 21 C 3.775901 7.415593 7.776902 7.975636 6.919546 22 C 4.309045 8.339654 8.404682 8.793498 7.281194 23 C 3.787683 8.071953 7.894787 8.543950 6.457098 24 C 2.517962 6.866166 6.687470 7.472047 5.103074 25 H 2.697877 5.506063 6.309193 6.370744 5.725719 26 H 4.623584 7.868863 8.398231 8.397672 7.769665 27 C 5.823487 9.791646 9.826768 10.138854 8.756981 28 H 4.642523 8.953268 8.595922 9.347863 7.022806 29 H 2.732796 6.962716 6.554997 7.563946 4.669958 30 C 6.607340 10.612750 10.907266 11.228384 9.338474 31 C 6.704662 10.928874 11.217538 11.746184 9.030175 32 H 6.257547 9.929831 9.964482 10.100335 9.361246 33 H 6.273259 10.348750 10.154089 10.571973 9.081546 34 H 6.459456 10.244659 10.769877 10.985031 9.216086 35 H 7.641185 11.590068 11.843065 12.103996 10.415019 36 C 7.855732 11.974465 12.463650 12.971396 9.972201 37 H 5.815532 10.070997 10.405935 11.014116 7.990919 38 H 7.090890 11.422280 11.494991 12.111758 9.338422 39 H 8.738951 12.843910 13.283774 13.729468 10.984350 40 H 7.738415 11.656628 12.351294 12.769055 9.863832 41 C 8.340740 12.521600 12.992343 13.665474 10.018328 42 H 7.678055 11.808655 12.332030 13.075204 9.117747 43 H 8.693745 12.991528 13.273798 14.022711 10.328860 44 H 9.247843 13.332812 13.920254 14.565634 10.830029 16 17 18 19 20 16 H 0.000000 17 C 2.688872 0.000000 18 H 2.821601 5.067070 0.000000 19 H 3.149422 5.779823 2.952977 0.000000 20 C 2.806707 1.393760 5.491373 5.653396 0.000000 21 C 4.028049 2.417542 6.579209 6.787558 1.382277 22 C 4.930310 2.820899 7.252189 7.891158 2.414761 23 C 4.846344 2.412088 6.928714 7.971464 2.749830 24 C 3.890749 1.390353 5.900339 7.030708 2.385057 25 H 2.453439 2.140893 5.251363 4.891442 1.075351 26 H 4.543584 3.384075 7.108721 6.974357 2.125843 27 C 6.330097 4.335341 8.585504 9.185030 3.804004 28 H 5.802419 3.378124 7.683145 8.942188 3.825918 29 H 4.355829 2.137136 5.988032 7.424154 3.362987 30 C 7.284012 5.155661 9.752281 10.063854 4.538975 31 C 7.784122 5.341036 10.254138 10.691781 5.045227 32 H 6.411211 4.803900 8.585740 9.074503 4.060645 33 H 6.892285 4.809216 8.939282 9.838734 4.536492 34 H 7.010232 5.073943 9.615669 9.611696 4.240596 35 H 8.207469 6.174907 10.616980 10.925549 5.508736 36 C 8.970616 6.572635 11.552511 11.755501 6.195185 37 H 7.066896 4.534519 9.553972 9.996936 4.392033 38 H 8.239034 5.724559 10.541474 11.249857 5.611550 39 H 9.729705 7.394687 12.283929 12.495552 6.932832 40 H 8.756840 6.515137 11.445126 11.377939 5.986148 41 C 9.724650 7.189682 12.250711 12.562027 7.054865 42 H 9.195092 6.649781 11.707031 12.006542 6.639330 43 H 10.133822 7.520847 12.535545 13.079383 7.511372 44 H 10.612233 8.132553 13.195707 13.363741 7.930810 21 22 23 24 25 21 C 0.000000 22 C 1.390914 0.000000 23 C 2.378141 1.388327 0.000000 24 C 2.758905 2.420087 1.385113 0.000000 25 H 2.125373 3.380338 3.824919 3.364112 0.000000 26 H 1.076520 2.140075 3.359758 3.835301 2.431261 27 C 2.527392 1.514497 2.533341 3.813464 4.651979 28 H 3.358209 2.134770 1.076188 2.126238 4.901010 29 H 3.831036 3.382566 2.127944 1.072270 4.260040 30 C 3.291162 2.565982 3.510090 4.708367 5.270485 31 C 4.055975 3.172033 3.588362 4.686409 5.855793 32 H 2.720728 2.133103 3.308804 4.480455 4.762808 33 H 3.387754 2.135754 2.632560 4.007128 5.473473 34 H 3.036859 2.791756 3.910648 4.914166 4.790740 35 H 4.195288 3.473520 4.428084 5.695271 6.201058 36 C 5.250259 4.581251 5.050598 6.036686 6.873630 37 H 3.640038 2.853011 3.025219 3.907698 5.215396 38 H 4.635319 3.504537 3.650502 4.836706 6.521541 39 H 5.854846 5.139414 5.721367 6.829466 7.606787 40 H 5.100188 4.716485 5.342158 6.204603 6.519115 41 C 6.301625 5.566472 5.708918 6.540308 7.765441 42 H 6.079938 5.433105 5.416659 6.047711 7.326963 43 H 6.731413 5.808038 5.794947 6.692975 8.317659 44 H 7.178029 6.535913 6.753936 7.558950 8.567890 26 27 28 29 30 26 H 0.000000 27 C 2.726184 0.000000 28 H 4.257205 2.732600 0.000000 29 H 4.907486 4.660682 2.433426 0.000000 30 C 3.263754 1.539181 3.645279 5.527330 0.000000 31 C 4.307870 2.578520 3.482153 5.296728 1.529429 32 H 2.584678 1.087209 3.607038 5.387149 2.148013 33 H 3.734436 1.086364 2.405796 4.671349 2.152779 34 H 2.759052 2.157625 4.295409 5.826865 1.087632 35 H 4.011148 2.143704 4.432580 6.492038 1.088581 36 C 5.327093 3.939430 4.965088 6.618753 2.549656 37 H 4.084785 2.822669 3.053176 4.476348 2.155446 38 H 5.002898 2.793561 3.223005 5.297222 2.150198 39 H 5.810793 4.206745 5.563229 7.438482 2.771015 40 H 5.038533 4.223000 5.465002 6.876866 2.772145 41 C 6.542493 5.128847 5.478393 6.917917 3.916544 42 H 6.432313 5.296916 5.261316 6.351725 4.236933 43 H 7.059288 5.285169 5.365233 6.961276 4.237315 44 H 7.323700 6.045582 6.557749 7.948971 4.716597 31 32 33 34 35 31 C 0.000000 32 H 3.489593 0.000000 33 H 2.792653 1.740563 0.000000 34 H 2.152069 2.497104 3.046936 0.000000 35 H 2.147802 2.392568 2.488108 1.741115 0.000000 36 C 1.530666 4.691738 4.209798 2.778792 2.761513 37 H 1.086574 3.825617 3.129656 2.503498 3.047158 38 H 1.089467 3.740390 2.566556 3.047197 2.498045 39 H 2.152886 4.801863 4.383935 3.094201 2.536688 40 H 2.150727 4.864895 4.732969 2.557119 3.075980 41 C 2.550610 6.006557 5.233604 4.203813 4.188502 42 H 2.812782 6.246707 5.463638 4.425136 4.745221 43 H 2.815422 6.198694 5.163213 4.759170 4.413241 44 H 3.494713 6.851386 6.198397 4.876535 4.858499 36 37 38 39 40 36 C 0.000000 37 H 2.149374 0.000000 38 H 2.150976 1.741284 0.000000 39 H 1.088182 3.045742 2.500069 0.000000 40 H 1.088127 2.498675 3.046365 1.741011 0.000000 41 C 1.528648 2.768781 2.773026 2.150642 2.149848 42 H 2.171002 2.591036 3.129343 3.060015 2.511319 43 H 2.171344 3.126537 2.597163 2.512140 3.059779 44 H 2.172785 3.765931 3.770086 2.488525 2.487622 41 42 43 44 41 C 0.000000 42 H 1.086302 0.000000 43 H 1.086650 1.754262 0.000000 44 H 1.086007 1.754863 1.754568 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.782779 -0.979497 0.529498 2 6 0 -5.368007 -1.489230 -0.778960 3 8 0 -4.221529 -2.011693 1.286162 4 8 0 -0.853963 2.664112 -0.489034 5 6 0 -1.646127 1.803400 -0.243017 6 7 0 -2.974701 2.138640 -0.022399 7 6 0 -4.032693 1.310140 0.227260 8 8 0 -5.153390 1.719410 0.346371 9 7 0 -3.703500 -0.019246 0.302572 10 6 0 -2.408919 -0.446480 0.094202 11 6 0 -1.372128 0.361803 -0.150986 12 1 0 -5.534862 -0.453157 1.095044 13 1 0 -5.777232 -0.666128 -1.352213 14 1 0 -6.171077 -2.193937 -0.581421 15 1 0 -3.198405 3.109448 -0.087151 16 1 0 -2.282458 -1.506153 0.155587 17 6 0 0.005594 -0.176411 -0.320475 18 1 0 -4.607665 -1.992371 -1.367055 19 1 0 -4.893184 -2.646203 1.498439 20 6 0 0.478431 -1.171180 0.533589 21 6 0 1.734485 -1.722202 0.362146 22 6 0 2.575472 -1.289695 -0.657815 23 6 0 2.107194 -0.289328 -1.498905 24 6 0 0.845790 0.259966 -1.338673 25 1 0 -0.137449 -1.512138 1.346497 26 1 0 2.064104 -2.495478 1.034672 27 6 0 3.959991 -1.880274 -0.825224 28 1 0 2.734973 0.070164 -2.295674 29 1 0 0.519652 1.034217 -2.004956 30 6 0 4.999925 -1.354075 0.180127 31 6 0 5.326178 0.132555 0.029655 32 1 0 3.899054 -2.961143 -0.725066 33 1 0 4.314145 -1.684961 -1.833496 34 1 0 4.650654 -1.548130 1.191707 35 1 0 5.913291 -1.933271 0.056412 36 6 0 6.392031 0.610438 1.018859 37 1 0 4.423698 0.722848 0.162800 38 1 0 5.669248 0.323446 -0.986613 39 1 0 7.298502 0.023296 0.885761 40 1 0 6.051126 0.418517 2.034226 41 6 0 6.722559 2.095311 0.868299 42 1 0 5.841910 2.710558 1.029489 43 1 0 7.099667 2.313552 -0.127174 44 1 0 7.478790 2.405191 1.583492 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6071151 0.1066698 0.0966419 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.5982799498 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.83D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999997 -0.002335 -0.000452 -0.000826 Ang= -0.29 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.116079644 A.U. after 12 cycles NFock= 12 Conv=0.98D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000366160 -0.000047428 0.000280264 2 6 -0.000084609 0.000057822 -0.000099969 3 8 0.001390459 0.000095110 0.000179080 4 8 -0.000013536 -0.000573601 0.000722292 5 6 -0.001337520 0.000150683 -0.000545365 6 7 0.000223886 -0.000664320 0.000579383 7 6 0.000288070 0.002071771 -0.000062239 8 8 -0.000295921 -0.001131438 0.000023533 9 7 -0.001118836 -0.000137934 0.000007750 10 6 0.000274069 0.000056108 -0.000710668 11 6 0.000236350 0.000842602 0.000900286 12 1 -0.000125468 -0.000125666 0.000196301 13 1 -0.000036730 -0.000200342 0.000073746 14 1 -0.000080386 0.000004483 -0.000068982 15 1 0.000046167 -0.000032546 0.000027258 16 1 0.000324126 -0.000054433 0.000240493 17 6 0.000654188 -0.001275388 0.000152891 18 1 0.000174501 -0.000070330 -0.000163605 19 1 -0.000648597 -0.000032666 -0.000285523 20 6 0.000324274 0.000896148 -0.000377321 21 6 -0.000683105 0.000596100 0.000374035 22 6 0.000124799 -0.001070387 0.000090668 23 6 0.000876512 0.000934849 -0.000470609 24 6 -0.000291798 -0.000030054 -0.000422088 25 1 0.000151336 -0.000356950 -0.000309431 26 1 -0.000137624 -0.000187448 -0.000068804 27 6 -0.000633544 -0.000441070 -0.000200159 28 1 0.000190959 0.000203232 0.000240290 29 1 0.000165676 0.000318038 -0.000432825 30 6 0.000051851 -0.000014658 0.000428845 31 6 -0.000113049 -0.000191510 -0.000339981 32 1 0.000109750 0.000157679 -0.000312858 33 1 0.000074091 0.000079785 0.000229966 34 1 0.000171697 0.000014625 -0.000085565 35 1 0.000193126 0.000200270 -0.000089031 36 6 0.000123339 0.000160990 0.000006074 37 1 -0.000078422 -0.000212895 0.000102048 38 1 -0.000125623 -0.000110020 0.000007684 39 1 -0.000039680 0.000019256 -0.000047032 40 1 -0.000028352 0.000109035 -0.000015479 41 6 0.000005953 0.000002654 0.000118333 42 1 -0.000118729 -0.000026156 0.000052620 43 1 0.000088272 -0.000098559 -0.000052837 44 1 0.000094238 0.000114557 0.000126530 ------------------------------------------------------------------- Cartesian Forces: Max 0.002071771 RMS 0.000441504 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002554584 RMS 0.000375104 Search for a local minimum. Step number 18 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 DE= -3.15D-04 DEPred=-3.48D-04 R= 9.07D-01 TightC=F SS= 1.41D+00 RLast= 2.44D-01 DXNew= 1.3131D+00 7.3291D-01 Trust test= 9.07D-01 RLast= 2.44D-01 DXMaxT set to 7.81D-01 ITU= 1 1 1 1 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 0 Eigenvalues --- 0.00230 0.00240 0.00275 0.00289 0.00301 Eigenvalues --- 0.00349 0.00632 0.01459 0.01475 0.01501 Eigenvalues --- 0.01520 0.01631 0.01703 0.01761 0.01870 Eigenvalues --- 0.01886 0.02070 0.02098 0.02110 0.02159 Eigenvalues --- 0.02418 0.02443 0.02479 0.02510 0.02620 Eigenvalues --- 0.03419 0.03430 0.03554 0.04346 0.04682 Eigenvalues --- 0.04762 0.04808 0.05135 0.05309 0.05429 Eigenvalues --- 0.05448 0.05504 0.05574 0.05612 0.05660 Eigenvalues --- 0.05976 0.08344 0.08369 0.08603 0.08678 Eigenvalues --- 0.09720 0.12193 0.12254 0.12287 0.13056 Eigenvalues --- 0.14253 0.15800 0.15959 0.15998 0.15999 Eigenvalues --- 0.16000 0.16004 0.16009 0.16019 0.16043 Eigenvalues --- 0.16117 0.16225 0.16423 0.17976 0.19836 Eigenvalues --- 0.20390 0.21293 0.21657 0.21961 0.22041 Eigenvalues --- 0.22764 0.23021 0.23359 0.23968 0.24411 Eigenvalues --- 0.24963 0.25022 0.25250 0.25779 0.26447 Eigenvalues --- 0.28062 0.28345 0.28907 0.29162 0.30011 Eigenvalues --- 0.30795 0.31585 0.32769 0.33114 0.33536 Eigenvalues --- 0.33560 0.33671 0.33694 0.33700 0.33716 Eigenvalues --- 0.33732 0.33745 0.33761 0.33782 0.33784 Eigenvalues --- 0.33861 0.33915 0.34154 0.34667 0.35051 Eigenvalues --- 0.37460 0.37845 0.38135 0.38604 0.39095 Eigenvalues --- 0.40356 0.43572 0.44559 0.47650 0.48888 Eigenvalues --- 0.50847 0.51676 0.52120 0.53603 0.54880 Eigenvalues --- 0.56192 0.56929 0.58607 0.60304 0.89072 Eigenvalues --- 0.91348 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 18 17 RFO step: Lambda=-1.36464888D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.20884 -0.20884 Iteration 1 RMS(Cart)= 0.01560187 RMS(Int)= 0.00007222 Iteration 2 RMS(Cart)= 0.00013826 RMS(Int)= 0.00001271 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00001271 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87486 -0.00033 -0.00014 -0.00067 -0.00081 2.87405 R2 2.64087 -0.00025 -0.00010 -0.00062 -0.00072 2.64015 R3 2.76341 0.00028 0.00041 0.00107 0.00147 2.76488 R4 2.03749 -0.00020 0.00005 -0.00051 -0.00046 2.03703 R5 2.04718 -0.00021 0.00010 -0.00049 -0.00039 2.04679 R6 2.05325 -0.00011 0.00007 -0.00015 -0.00008 2.05317 R7 2.05027 -0.00024 0.00010 -0.00060 -0.00050 2.04977 R8 1.79154 -0.00066 0.00012 -0.00093 -0.00081 1.79073 R9 2.25889 -0.00060 -0.00007 -0.00063 -0.00070 2.25820 R10 2.62268 0.00000 0.00034 0.00029 0.00063 2.62331 R11 2.77844 -0.00099 -0.00032 -0.00150 -0.00182 2.77662 R12 2.58284 -0.00025 -0.00011 -0.00039 -0.00049 2.58235 R13 1.88661 -0.00003 -0.00009 -0.00001 -0.00010 1.88651 R14 2.26582 -0.00062 0.00015 -0.00038 -0.00023 2.26559 R15 2.59196 0.00011 -0.00009 0.00039 0.00032 2.59228 R16 2.60610 -0.00079 -0.00003 -0.00131 -0.00134 2.60476 R17 2.52713 -0.00028 -0.00017 -0.00053 -0.00071 2.52642 R18 2.02004 0.00022 -0.00014 0.00084 0.00070 2.02073 R19 2.81342 -0.00138 0.00041 -0.00290 -0.00249 2.81093 R20 2.63382 -0.00080 0.00017 -0.00212 -0.00195 2.63188 R21 2.62739 -0.00010 -0.00113 0.00072 -0.00042 2.62697 R22 2.61213 0.00050 -0.00069 0.00157 0.00089 2.61302 R23 2.03212 0.00030 -0.00022 0.00104 0.00082 2.03293 R24 2.62845 -0.00039 0.00041 -0.00158 -0.00117 2.62728 R25 2.03433 0.00015 -0.00027 0.00030 0.00003 2.03436 R26 2.62356 0.00100 -0.00092 0.00252 0.00159 2.62515 R27 2.86199 0.00025 -0.00007 0.00083 0.00076 2.86274 R28 2.61748 -0.00067 0.00029 -0.00145 -0.00116 2.61632 R29 2.03370 -0.00006 -0.00010 -0.00018 -0.00028 2.03342 R30 2.02630 0.00049 0.00022 0.00073 0.00095 2.02724 R31 2.90863 -0.00020 -0.00086 -0.00162 -0.00248 2.90615 R32 2.05453 -0.00034 0.00049 -0.00070 -0.00020 2.05433 R33 2.05293 0.00004 0.00001 0.00013 0.00014 2.05307 R34 2.89020 0.00001 -0.00007 -0.00018 -0.00024 2.88996 R35 2.05533 0.00010 0.00004 0.00025 0.00029 2.05562 R36 2.05712 -0.00026 0.00008 -0.00048 -0.00040 2.05672 R37 2.89254 -0.00036 -0.00028 -0.00092 -0.00119 2.89135 R38 2.05333 -0.00018 0.00033 -0.00017 0.00016 2.05349 R39 2.05879 -0.00001 0.00006 -0.00004 0.00002 2.05882 R40 2.05637 0.00000 0.00012 0.00006 0.00018 2.05655 R41 2.05626 -0.00010 0.00015 -0.00018 -0.00003 2.05623 R42 2.88873 -0.00024 -0.00019 -0.00059 -0.00078 2.88795 R43 2.05281 -0.00013 0.00008 -0.00031 -0.00023 2.05258 R44 2.05347 -0.00014 0.00007 -0.00032 -0.00025 2.05322 R45 2.05226 -0.00019 0.00005 -0.00042 -0.00037 2.05189 A1 1.95272 0.00006 0.00021 0.00066 0.00086 1.95358 A2 1.95031 -0.00036 -0.00091 -0.00020 -0.00111 1.94921 A3 1.92450 0.00012 0.00061 -0.00062 -0.00002 1.92448 A4 1.84691 0.00045 -0.00020 0.00294 0.00273 1.84965 A5 1.93553 -0.00029 0.00092 -0.00290 -0.00197 1.93356 A6 1.85007 0.00003 -0.00070 0.00018 -0.00053 1.84954 A7 1.92396 -0.00005 -0.00002 -0.00028 -0.00030 1.92366 A8 1.92333 0.00001 -0.00005 0.00056 0.00051 1.92384 A9 1.93050 -0.00007 0.00010 -0.00066 -0.00056 1.92994 A10 1.88578 0.00003 -0.00003 0.00007 0.00004 1.88582 A11 1.90736 0.00005 0.00003 0.00018 0.00021 1.90758 A12 1.89204 0.00004 -0.00003 0.00015 0.00012 1.89215 A13 1.90821 0.00044 -0.00011 0.00211 0.00200 1.91021 A14 2.08654 0.00095 0.00012 0.00174 0.00186 2.08840 A15 2.20853 -0.00056 -0.00025 -0.00045 -0.00070 2.20783 A16 1.98809 -0.00038 0.00017 -0.00132 -0.00117 1.98692 A17 2.24417 0.00005 -0.00056 0.00004 -0.00052 2.24365 A18 2.02537 0.00002 0.00030 0.00059 0.00089 2.02626 A19 2.01290 -0.00007 0.00031 -0.00056 -0.00026 2.01264 A20 2.13501 0.00040 -0.00020 0.00107 0.00079 2.13580 A21 1.99518 -0.00013 0.00046 0.00010 0.00052 1.99570 A22 2.15281 -0.00025 -0.00027 -0.00082 -0.00116 2.15164 A23 2.05763 -0.00039 0.00026 -0.00100 -0.00082 2.05681 A24 2.10929 0.00025 0.00018 0.00089 0.00099 2.11028 A25 2.11444 0.00015 0.00023 0.00019 0.00036 2.11480 A26 2.17516 -0.00041 -0.00035 -0.00133 -0.00169 2.17347 A27 1.99268 -0.00014 0.00094 0.00031 0.00125 1.99393 A28 2.11528 0.00055 -0.00059 0.00104 0.00045 2.11573 A29 2.04836 0.00073 0.00038 0.00235 0.00271 2.05107 A30 2.11739 -0.00255 -0.00143 -0.00478 -0.00622 2.11117 A31 2.11743 0.00183 0.00106 0.00241 0.00347 2.12090 A32 2.09694 0.00148 0.00114 0.00208 0.00320 2.10014 A33 2.12837 -0.00207 -0.00131 -0.00364 -0.00496 2.12340 A34 2.05755 0.00060 0.00013 0.00187 0.00198 2.05953 A35 2.11389 -0.00037 0.00013 -0.00122 -0.00109 2.11280 A36 2.08889 0.00020 -0.00011 -0.00061 -0.00073 2.08817 A37 2.08036 0.00018 0.00001 0.00174 0.00174 2.08209 A38 2.11345 0.00013 -0.00043 0.00035 -0.00008 2.11337 A39 2.07955 0.00003 -0.00048 0.00018 -0.00030 2.07925 A40 2.09017 -0.00016 0.00092 -0.00056 0.00035 2.09053 A41 2.05373 -0.00015 0.00033 0.00004 0.00037 2.05409 A42 2.10894 -0.00051 0.00180 -0.00168 0.00012 2.10906 A43 2.12042 0.00066 -0.00213 0.00167 -0.00045 2.11996 A44 2.12097 -0.00008 -0.00015 -0.00018 -0.00034 2.12063 A45 2.08572 0.00018 -0.00023 0.00032 0.00009 2.08582 A46 2.07649 -0.00010 0.00039 -0.00014 0.00025 2.07674 A47 2.10666 -0.00012 0.00002 -0.00092 -0.00091 2.10574 A48 2.09195 -0.00011 -0.00012 -0.00022 -0.00034 2.09161 A49 2.08456 0.00023 0.00011 0.00116 0.00127 2.08583 A50 1.99560 0.00028 0.00146 0.00151 0.00296 1.99856 A51 1.90313 -0.00026 0.00103 -0.00283 -0.00183 1.90130 A52 1.90763 -0.00008 -0.00197 0.00129 -0.00068 1.90696 A53 1.89396 -0.00016 0.00198 -0.00253 -0.00056 1.89341 A54 1.90128 0.00021 -0.00163 0.00304 0.00140 1.90268 A55 1.85721 -0.00002 -0.00097 -0.00066 -0.00162 1.85559 A56 1.99563 0.00050 -0.00206 0.00156 -0.00049 1.99513 A57 1.90661 -0.00018 0.00221 -0.00152 0.00069 1.90730 A58 1.88679 -0.00019 0.00029 -0.00058 -0.00029 1.88650 A59 1.91074 -0.00015 0.00007 -0.00119 -0.00111 1.90963 A60 1.90394 -0.00015 0.00093 0.00037 0.00130 1.90524 A61 1.85481 0.00015 -0.00144 0.00139 -0.00005 1.85476 A62 1.96972 0.00019 0.00058 0.00039 0.00097 1.97069 A63 1.91647 -0.00010 -0.00039 -0.00052 -0.00091 1.91556 A64 1.90631 -0.00002 0.00030 -0.00004 0.00025 1.90657 A65 1.90663 -0.00006 0.00047 -0.00042 0.00005 1.90668 A66 1.90589 -0.00013 0.00035 -0.00058 -0.00023 1.90566 A67 1.85528 0.00011 -0.00142 0.00122 -0.00020 1.85508 A68 1.90981 0.00006 0.00011 0.00031 0.00042 1.91023 A69 1.90691 0.00001 0.00011 0.00003 0.00013 1.90704 A70 1.97162 -0.00008 0.00031 -0.00026 0.00005 1.97167 A71 1.85453 0.00001 -0.00095 0.00042 -0.00053 1.85400 A72 1.90917 -0.00002 0.00022 -0.00035 -0.00013 1.90904 A73 1.90813 0.00002 0.00012 -0.00010 0.00002 1.90815 A74 1.93933 0.00003 -0.00001 0.00012 0.00011 1.93944 A75 1.93944 0.00007 -0.00000 0.00034 0.00033 1.93978 A76 1.94214 -0.00006 -0.00016 -0.00028 -0.00045 1.94170 A77 1.87918 -0.00004 0.00005 -0.00010 -0.00005 1.87914 A78 1.88093 0.00001 0.00006 -0.00006 0.00000 1.88093 A79 1.88003 -0.00000 0.00007 -0.00003 0.00004 1.88008 D1 -3.12178 -0.00020 0.00031 -0.00381 -0.00350 -3.12527 D2 1.08148 -0.00021 0.00039 -0.00407 -0.00368 1.07780 D3 -1.01037 -0.00021 0.00040 -0.00419 -0.00379 -1.01416 D4 -1.05432 0.00016 -0.00042 0.00023 -0.00019 -1.05451 D5 -3.13425 0.00016 -0.00034 -0.00003 -0.00037 -3.13462 D6 1.05709 0.00015 -0.00033 -0.00016 -0.00049 1.05660 D7 0.99856 0.00005 -0.00147 -0.00007 -0.00155 0.99702 D8 -1.08137 0.00004 -0.00139 -0.00033 -0.00173 -1.08310 D9 3.10997 0.00004 -0.00139 -0.00046 -0.00185 3.10812 D10 -1.06063 0.00000 -0.00031 0.00439 0.00408 -1.05655 D11 3.09462 0.00012 0.00081 0.00234 0.00315 3.09777 D12 1.09602 -0.00001 0.00131 0.00193 0.00323 1.09925 D13 1.58527 0.00007 0.00560 0.00342 0.00903 1.59430 D14 -1.49217 -0.00000 -0.00315 0.00211 -0.00104 -1.49321 D15 -2.56844 0.00022 0.00520 0.00601 0.01121 -2.55722 D16 0.63731 0.00015 -0.00356 0.00471 0.00114 0.63846 D17 -0.51181 0.00011 0.00582 0.00418 0.01000 -0.50180 D18 2.69394 0.00004 -0.00294 0.00287 -0.00007 2.69388 D19 3.10113 0.00005 0.00350 -0.00243 0.00106 3.10219 D20 0.00349 -0.00000 0.00203 -0.00441 -0.00239 0.00111 D21 -0.03276 -0.00010 0.00086 0.00140 0.00225 -0.03051 D22 -3.13040 -0.00015 -0.00062 -0.00058 -0.00120 -3.13160 D23 -3.10511 -0.00024 -0.00189 -0.00290 -0.00479 -3.10990 D24 0.03923 -0.00010 -0.00219 0.00435 0.00214 0.04138 D25 0.02814 -0.00007 0.00098 -0.00703 -0.00606 0.02208 D26 -3.11070 0.00007 0.00068 0.00021 0.00087 -3.10982 D27 -3.08494 -0.00046 0.00321 -0.01375 -0.01054 -3.09549 D28 0.03599 0.00023 -0.00498 0.00476 -0.00022 0.03576 D29 0.01296 -0.00040 0.00467 -0.01176 -0.00709 0.00586 D30 3.13389 0.00029 -0.00352 0.00675 0.00323 3.13711 D31 -3.11204 -0.00027 -0.00143 -0.00667 -0.00809 -3.12013 D32 -0.03481 -0.00019 0.00735 -0.00533 0.00203 -0.03277 D33 0.00865 0.00044 -0.00972 0.01208 0.00236 0.01101 D34 3.08588 0.00051 -0.00093 0.01342 0.01249 3.09837 D35 3.11313 0.00008 0.00273 0.00087 0.00361 3.11675 D36 -0.04099 0.00007 0.00258 0.00252 0.00510 -0.03588 D37 0.03780 0.00003 -0.00632 -0.00044 -0.00675 0.03105 D38 -3.11632 0.00002 -0.00646 0.00121 -0.00526 -3.12158 D39 -0.03319 0.00010 0.00172 0.00690 0.00862 -0.02457 D40 3.10564 -0.00004 0.00201 -0.00036 0.00163 3.10728 D41 3.12176 0.00011 0.00186 0.00515 0.00703 3.12879 D42 -0.02259 -0.00003 0.00216 -0.00210 0.00004 -0.02254 D43 2.39121 -0.00021 0.00188 -0.03049 -0.02861 2.36260 D44 -0.77874 -0.00001 0.00005 -0.01730 -0.01726 -0.79600 D45 -0.74752 -0.00007 0.00156 -0.02296 -0.02140 -0.76892 D46 2.36571 0.00013 -0.00027 -0.00977 -0.01005 2.35567 D47 3.09697 0.00004 -0.00026 0.00501 0.00477 3.10174 D48 -0.05477 -0.00013 0.00195 -0.00436 -0.00239 -0.05716 D49 -0.01740 -0.00011 0.00151 -0.00757 -0.00606 -0.02346 D50 3.11405 -0.00028 0.00373 -0.01694 -0.01321 3.10083 D51 -3.10499 -0.00003 -0.00036 -0.00111 -0.00144 -3.10643 D52 0.04357 -0.00008 -0.00075 -0.00388 -0.00462 0.03895 D53 0.00886 0.00018 -0.00213 0.01180 0.00968 0.01854 D54 -3.12577 0.00013 -0.00253 0.00903 0.00650 -3.11927 D55 0.01505 0.00004 -0.00116 0.00107 -0.00009 0.01496 D56 -3.13141 -0.00010 0.00001 -0.00554 -0.00553 -3.13694 D57 -3.11645 0.00021 -0.00336 0.01041 0.00706 -3.10939 D58 0.02028 0.00007 -0.00219 0.00380 0.00162 0.02190 D59 -0.00357 -0.00005 0.00133 0.00132 0.00265 -0.00092 D60 3.12253 0.00003 0.00179 0.00380 0.00560 3.12813 D61 -3.14027 0.00009 0.00016 0.00797 0.00813 -3.13215 D62 -0.01417 0.00017 0.00062 0.01045 0.01108 -0.00310 D63 -0.00497 0.00012 -0.00197 0.00299 0.00102 -0.00395 D64 3.13755 0.00014 -0.00316 0.00464 0.00148 3.13903 D65 -3.13096 0.00005 -0.00247 0.00052 -0.00195 -3.13292 D66 0.01156 0.00008 -0.00367 0.00217 -0.00149 0.01007 D67 -1.34468 0.00026 0.01469 0.00762 0.02231 -1.32237 D68 0.77865 0.00006 0.01896 0.00328 0.02224 0.80090 D69 2.80229 -0.00015 0.01728 0.00163 0.01892 2.82121 D70 1.78082 0.00033 0.01519 0.01019 0.02538 1.80620 D71 -2.37903 0.00014 0.01946 0.00585 0.02531 -2.35372 D72 -0.35539 -0.00007 0.01778 0.00420 0.02198 -0.33341 D73 0.00222 -0.00019 0.00243 -0.00977 -0.00732 -0.00510 D74 3.13688 -0.00014 0.00283 -0.00701 -0.00417 3.13272 D75 -3.14029 -0.00021 0.00362 -0.01141 -0.00779 3.13511 D76 -0.00563 -0.00016 0.00401 -0.00865 -0.00463 -0.01026 D77 -1.14481 -0.00021 -0.00071 -0.01162 -0.01232 -1.15713 D78 1.00299 -0.00018 -0.00037 -0.01323 -0.01360 0.98939 D79 3.01425 -0.00020 -0.00075 -0.01270 -0.01345 3.00080 D80 3.01001 0.00005 -0.00443 -0.00711 -0.01155 2.99846 D81 -1.12538 0.00007 -0.00409 -0.00872 -0.01282 -1.13820 D82 0.88589 0.00005 -0.00447 -0.00819 -0.01267 0.87321 D83 0.99486 0.00004 -0.00349 -0.00659 -0.01007 0.98479 D84 -3.14053 0.00007 -0.00315 -0.00820 -0.01135 3.13131 D85 -1.12926 0.00005 -0.00353 -0.00767 -0.01120 -1.14046 D86 -3.11303 0.00002 0.00147 -0.00266 -0.00119 -3.11422 D87 1.03848 0.00004 0.00075 -0.00201 -0.00126 1.03722 D88 -0.98959 -0.00003 0.00251 -0.00316 -0.00065 -0.99024 D89 1.02459 0.00001 -0.00002 -0.00087 -0.00089 1.02371 D90 -1.10708 0.00003 -0.00074 -0.00022 -0.00096 -1.10804 D91 -3.13514 -0.00004 0.00103 -0.00138 -0.00035 -3.13550 D92 -0.99835 0.00000 0.00114 -0.00207 -0.00094 -0.99928 D93 -3.13002 0.00002 0.00042 -0.00143 -0.00101 -3.13103 D94 1.12510 -0.00005 0.00218 -0.00258 -0.00040 1.12470 D95 1.00768 0.00004 0.00030 0.00023 0.00053 1.00822 D96 -1.01608 -0.00001 0.00132 -0.00046 0.00086 -1.01522 D97 3.13910 0.00001 0.00088 -0.00017 0.00071 3.13981 D98 -3.13831 0.00000 0.00053 -0.00047 0.00007 -3.13825 D99 1.12111 -0.00005 0.00155 -0.00116 0.00039 1.12151 D100 -1.00689 -0.00003 0.00111 -0.00087 0.00024 -1.00666 D101 -1.11600 0.00003 -0.00071 0.00044 -0.00027 -1.11628 D102 -3.13976 -0.00002 0.00031 -0.00025 0.00005 -3.13971 D103 1.01542 -0.00000 -0.00014 0.00004 -0.00010 1.01531 D104 1.04331 -0.00000 -0.00002 0.00002 -0.00001 1.04330 D105 -1.04876 -0.00002 -0.00008 -0.00016 -0.00025 -1.04901 D106 3.13940 -0.00002 -0.00006 -0.00016 -0.00023 3.13917 D107 -3.10810 0.00001 0.00049 -0.00002 0.00048 -3.10762 D108 1.08302 -0.00001 0.00043 -0.00020 0.00024 1.08325 D109 -1.01201 -0.00000 0.00045 -0.00020 0.00026 -1.01175 D110 -1.08401 0.00002 -0.00046 0.00023 -0.00023 -1.08424 D111 3.10710 0.00001 -0.00051 0.00005 -0.00046 3.10664 D112 1.01208 0.00001 -0.00049 0.00005 -0.00045 1.01163 Item Value Threshold Converged? Maximum Force 0.002555 0.000450 NO RMS Force 0.000375 0.000300 NO Maximum Displacement 0.080127 0.001800 NO RMS Displacement 0.015615 0.001200 NO Predicted change in Energy=-6.879452D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.019906 -4.607572 2.483209 2 6 0 7.187706 -3.426613 3.426741 3 8 0 6.755523 -5.793297 3.173188 4 8 0 2.864302 -3.706984 -0.934281 5 6 0 3.718675 -3.962115 -0.138701 6 7 0 5.040537 -3.651001 -0.426767 7 6 0 6.146001 -3.820862 0.358394 8 8 0 7.238647 -3.467921 0.013563 9 7 0 5.893762 -4.413656 1.569482 10 6 0 4.611992 -4.756828 1.942609 11 6 0 3.528732 -4.586126 1.177902 12 1 0 7.892754 -4.714288 1.859733 13 1 0 7.374902 -2.520848 2.863105 14 1 0 8.033178 -3.591913 4.088797 15 1 0 5.207027 -3.217027 -1.310253 16 1 0 4.540177 -5.194084 2.915802 17 6 0 2.180401 -5.020828 1.631368 18 1 0 6.298348 -3.293939 4.033368 19 1 0 7.477812 -5.987494 3.755048 20 6 0 2.009561 -6.261202 2.241271 21 6 0 0.771828 -6.660850 2.710624 22 6 0 -0.345624 -5.845159 2.573227 23 6 0 -0.174641 -4.615674 1.949590 24 6 0 1.063069 -4.207261 1.482570 25 1 0 2.848727 -6.927637 2.335999 26 1 0 0.675810 -7.624465 3.180898 27 6 0 -1.702453 -6.295913 3.073977 28 1 0 -1.020402 -3.962081 1.825647 29 1 0 1.157106 -3.254576 0.998438 30 6 0 -2.395672 -7.341488 2.184450 31 6 0 -2.799745 -6.824477 0.803079 32 1 0 -1.589702 -6.712561 4.071716 33 1 0 -2.352226 -5.431185 3.175929 34 1 0 -1.744146 -8.205143 2.070906 35 1 0 -3.282480 -7.695128 2.707004 36 6 0 -3.520073 -7.878537 -0.040182 37 1 0 -1.919245 -6.478544 0.268403 38 1 0 -3.447038 -5.955977 0.920057 39 1 0 -4.404579 -8.224905 0.490880 40 1 0 -2.875400 -8.747398 -0.156224 41 6 0 -3.926670 -7.362460 -1.419984 42 1 0 -3.059120 -7.040427 -1.988700 43 1 0 -4.600700 -6.514227 -1.338127 44 1 0 -4.432569 -8.132329 -1.994752 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520880 0.000000 3 O 1.397108 2.419145 0.000000 4 O 5.455212 6.147272 6.030390 0.000000 5 C 4.264875 5.003331 4.852245 1.194986 0.000000 6 N 3.647038 4.417037 4.526619 2.235331 1.388198 7 C 2.428469 3.264252 3.490714 3.528955 2.481727 8 O 2.728700 3.413809 3.952722 4.482238 3.557755 9 N 1.463113 2.469404 2.284275 3.993225 2.802282 10 C 2.472363 3.256751 2.680172 3.526058 2.400299 11 C 3.727275 4.448577 3.981282 2.382368 1.469324 12 H 1.077949 2.147258 2.045170 5.840078 4.688544 13 H 2.150525 1.083115 3.344951 6.014363 4.945309 14 H 2.153183 1.086492 2.704965 7.208456 6.051754 15 H 4.428374 5.138690 5.397800 2.422762 2.035407 16 H 2.584606 3.224039 2.309342 4.454567 3.394497 17 C 4.931249 5.553197 4.889341 2.962509 2.572995 18 H 2.156217 1.084692 2.682482 6.053165 4.950488 19 H 1.931692 2.598087 0.947615 6.962399 5.778802 20 C 5.281721 6.021082 4.859173 4.163981 3.724398 21 C 6.580740 7.220568 6.063928 5.137033 4.907722 22 C 7.469320 7.957947 7.126635 5.213255 5.236309 23 C 7.214313 7.602631 7.135205 4.286910 4.466095 24 C 6.053547 6.473051 6.146359 3.055468 3.121034 25 H 4.775260 5.680989 4.153392 4.589943 3.959201 26 H 7.059459 7.751593 6.349499 6.088583 5.804444 27 C 8.903878 9.348382 8.473477 6.604841 6.719861 28 H 8.092935 8.379933 8.101495 4.772127 5.130059 29 H 6.197384 6.503415 6.520500 2.618128 2.890559 30 C 9.809009 10.426442 9.333749 7.113609 7.362230 31 C 10.206030 10.870983 9.898682 6.694670 7.181216 32 H 9.004425 9.394485 8.443647 7.343817 7.312416 33 H 9.433719 9.751488 9.114945 6.861403 7.071122 34 H 9.482675 10.220109 8.903730 7.106502 7.261409 35 H 10.757428 11.329742 10.227209 8.182125 8.429092 36 C 11.320683 12.103542 10.966397 7.678640 8.230889 37 H 9.397570 10.110685 9.173818 5.657766 6.187430 38 H 10.668578 11.215121 10.449656 6.951945 7.512915 39 H 12.147976 12.885029 11.732663 8.676365 9.195379 40 H 11.046350 11.933755 10.609730 7.678237 8.147457 41 C 11.943694 12.747980 11.733232 7.727594 8.464947 42 H 11.291745 12.140185 11.159195 6.878267 7.670528 43 H 12.380485 13.084489 12.240731 7.985609 8.784298 44 H 12.791998 13.658958 12.544005 8.599569 9.342290 6 7 8 9 10 6 N 0.000000 7 C 1.366521 0.000000 8 O 2.249243 1.198896 0.000000 9 N 2.301010 1.371774 2.263629 0.000000 10 C 2.649612 2.395611 3.504543 1.378378 0.000000 11 C 2.394781 2.847335 4.045928 2.403424 1.336924 12 H 3.807072 2.470501 2.321558 2.042203 3.282085 13 H 4.189243 3.077955 3.005895 2.729460 3.671592 14 H 5.417537 4.186856 4.153816 3.405776 4.203293 15 H 0.998299 2.007653 2.437810 3.193180 3.647761 16 H 3.715405 3.317341 4.322543 2.062484 1.069325 17 C 3.780572 4.334324 5.533052 3.763182 2.465603 18 H 4.647836 3.715682 4.131981 2.736455 3.058613 19 H 5.374670 4.243262 4.517096 3.124560 3.607270 20 C 4.808159 5.158548 6.333123 4.353360 3.020759 21 C 6.092971 6.517688 7.699915 5.708441 4.354538 22 C 6.544083 7.151535 8.350108 6.479710 5.114694 23 C 5.811691 6.566136 7.747411 6.083651 4.788718 24 C 4.446936 5.220083 6.390803 4.835881 3.620567 25 H 4.813860 4.943176 6.052664 4.022423 2.824229 26 H 6.917695 7.235807 8.389261 6.335059 5.024960 27 C 8.044792 8.665939 9.864428 7.969246 6.597044 28 H 6.473416 7.316426 8.469931 6.933628 5.689390 29 H 4.155647 5.061562 6.164466 4.909733 3.883871 30 C 8.702606 9.417509 10.608364 8.812781 7.473039 31 C 8.547134 9.447000 10.614100 9.054087 7.778659 32 H 8.577270 9.054931 10.243830 8.218782 6.842440 33 H 8.414358 9.096785 10.287848 8.462408 7.104658 34 H 8.544619 9.187439 10.361685 8.541923 7.232415 35 H 9.769754 10.460505 11.654099 9.811495 8.458167 36 C 9.555394 10.490785 11.627833 10.159563 8.933477 37 H 7.544324 8.492324 9.643432 8.185331 6.958759 38 H 8.897515 9.843808 11.008906 9.489523 8.211670 39 H 10.534367 11.433629 12.586558 11.033804 9.769013 40 H 9.418520 10.291806 11.410331 9.932653 8.740182 41 C 9.755624 10.824243 11.911624 10.680507 9.539659 42 H 8.918087 10.030388 11.082231 9.985724 8.917172 43 H 10.098618 11.208210 12.299479 11.090551 9.936064 44 H 10.596254 11.663283 12.728209 11.539731 10.425972 11 12 13 14 15 11 C 0.000000 12 H 4.418824 0.000000 13 H 4.679561 2.467003 0.000000 14 H 5.454521 2.499635 1.755798 0.000000 15 H 3.298791 4.416302 4.754078 6.105523 0.000000 16 H 2.100698 3.547571 3.896746 4.017951 4.713066 17 C 1.487479 5.725128 5.894906 6.506594 4.589912 18 H 4.182607 3.047001 1.768093 1.761107 5.454464 19 H 4.919425 2.320657 3.581031 2.481659 6.203968 20 C 2.498903 6.095119 6.569916 6.842691 5.666049 21 C 3.775479 7.431064 7.795091 8.002809 6.906400 22 C 4.306127 8.346185 8.410801 8.807860 7.267766 23 C 3.783034 8.068498 7.887864 8.543570 6.445552 24 C 2.513136 6.858857 6.677506 7.466826 5.094390 25 H 2.699309 5.528829 6.339076 6.409204 5.711861 26 H 4.624139 7.892964 8.427676 8.438994 7.754216 27 C 5.820977 9.800200 9.833307 10.154998 8.743107 28 H 4.637200 8.944905 8.581060 9.339496 7.012121 29 H 2.725774 6.945614 6.532712 7.546158 4.661902 30 C 6.610880 10.623528 10.916192 11.244856 9.328728 31 C 6.723119 10.949838 11.237809 11.772750 9.032622 32 H 6.252540 9.939966 9.969720 10.116252 9.347720 33 H 6.268325 10.354029 10.157998 10.586447 9.064802 34 H 6.457398 10.251854 10.774777 10.997721 9.199584 35 H 7.641771 11.596945 11.848094 12.115687 10.404974 36 C 7.874602 11.994781 12.483364 12.996201 9.975221 37 H 5.838569 10.095556 10.429621 11.044400 7.994586 38 H 7.113673 11.446207 11.519111 12.141873 9.347137 39 H 8.755007 12.861671 13.301123 13.751634 10.986623 40 H 7.752999 11.674040 12.367496 12.790478 9.861157 41 C 8.368994 12.548631 13.019661 13.696776 10.031006 42 H 7.710432 11.839125 12.362661 13.109816 9.132791 43 H 8.725574 13.021231 13.304602 14.057251 10.347164 44 H 9.274891 13.358654 13.946463 14.595198 10.842073 16 17 18 19 20 16 H 0.000000 17 C 2.692273 0.000000 18 H 2.819693 5.070428 0.000000 19 H 3.156506 5.788525 2.953614 0.000000 20 C 2.828029 1.392730 5.514522 5.680510 0.000000 21 C 4.048945 2.416308 6.605161 6.820150 1.382749 22 C 4.940881 2.819117 7.265197 7.913476 2.414577 23 C 4.847436 2.410734 6.927387 7.981328 2.750196 24 C 3.888220 1.390130 5.894816 7.034366 2.385403 25 H 2.490458 2.139879 5.290057 4.932139 1.075782 26 H 4.572784 3.382863 7.147943 7.019725 2.126094 27 C 6.341094 4.333995 8.599133 9.210658 3.804425 28 H 5.798820 3.376956 7.673626 8.946760 3.826144 29 H 4.345475 2.137143 5.970320 7.417484 3.363200 30 C 7.297412 5.160602 9.766634 10.088893 4.536114 31 C 7.810009 5.361069 10.279823 10.725802 5.051247 32 H 6.420072 4.799056 8.597079 9.101967 4.063120 33 H 6.901384 4.806118 8.951840 9.862783 4.537367 34 H 7.019476 5.072980 9.625637 9.633214 4.230632 35 H 8.215399 6.176726 10.626475 10.945241 5.502613 36 C 8.995097 6.592115 11.576430 11.786997 6.196584 37 H 7.098077 4.559573 9.583606 10.035063 4.401700 38 H 8.267955 5.748785 10.571267 11.286740 5.622565 39 H 9.750630 7.411395 12.305132 12.524057 6.932618 40 H 8.778050 6.530232 11.465188 11.406319 5.982642 41 C 9.756454 7.217361 12.281811 12.598955 7.060906 42 H 9.231058 6.681036 11.741536 12.046834 6.647659 43 H 10.168300 7.551918 12.570300 13.119006 7.521413 44 H 10.642227 8.158526 13.225007 13.398420 7.933854 21 22 23 24 25 21 C 0.000000 22 C 1.390297 0.000000 23 C 2.378596 1.389170 0.000000 24 C 2.759173 2.420054 1.384498 0.000000 25 H 2.127211 3.381111 3.825603 3.364128 0.000000 26 H 1.076536 2.139748 3.360388 3.835566 2.433308 27 C 2.527305 1.514898 2.534099 3.813549 4.653700 28 H 3.358367 2.135460 1.076038 2.125716 4.901545 29 H 3.831804 3.383678 2.128574 1.072770 4.259346 30 C 3.282253 2.567654 3.523947 4.720054 5.262885 31 C 4.052362 3.180440 3.617246 4.715174 5.853693 32 H 2.726182 2.132038 3.301932 4.474081 4.770600 33 H 3.389439 2.135668 2.628848 4.003710 5.476747 34 H 3.020630 2.788856 3.919484 4.920331 4.774597 35 H 4.184156 3.473530 4.440200 5.705108 6.190185 36 C 5.241194 4.587119 5.079113 6.066485 6.863823 37 H 3.638620 2.861760 3.056193 3.940448 5.216339 38 H 4.637004 3.516251 3.683060 4.869856 6.525769 39 H 5.845402 5.145336 5.748631 6.857120 7.595908 40 H 5.086726 4.719392 5.366535 6.229770 6.502948 41 C 6.295241 5.574211 5.742524 6.578572 7.759026 42 H 6.074857 5.440855 5.450667 6.088431 7.322458 43 H 6.728888 5.818248 5.831259 6.734739 8.316494 44 H 7.168791 6.542224 6.786357 7.596050 8.557099 26 27 28 29 30 26 H 0.000000 27 C 2.726283 0.000000 28 H 4.257570 2.733184 0.000000 29 H 4.908229 4.662045 2.434415 0.000000 30 C 3.241449 1.537869 3.666129 5.543619 0.000000 31 C 4.286431 2.576899 3.522076 5.332825 1.529301 32 H 2.599552 1.087102 3.596398 5.380302 2.146372 33 H 3.738917 1.086440 2.399018 4.668458 2.152713 34 H 2.724970 2.157093 4.311327 5.837428 1.087786 35 H 3.987184 2.142186 4.453025 6.507505 1.088371 36 C 5.295786 3.937821 5.006826 6.658510 2.549841 37 H 4.065719 2.819858 3.092816 4.515623 2.154737 38 H 4.989302 2.792581 3.268682 5.338712 2.150279 39 H 5.779886 4.206530 5.604099 7.476237 2.772059 40 H 5.000846 4.221349 5.501645 6.911255 2.772269 41 C 6.513032 5.126437 5.526581 6.969092 3.916164 42 H 6.404338 5.293916 5.308656 6.405639 4.236269 43 H 7.035323 5.283386 5.416775 7.016921 4.237341 44 H 7.289775 6.043010 6.605248 7.999757 4.715941 31 32 33 34 35 31 C 0.000000 32 H 3.487222 0.000000 33 H 2.787822 1.739483 0.000000 34 H 2.151259 2.500979 3.047241 0.000000 35 H 2.148487 2.386080 2.492128 1.741036 0.000000 36 C 1.530035 4.689728 4.206753 2.778000 2.763534 37 H 1.086659 3.824729 3.120599 2.502163 3.047172 38 H 1.089478 3.735649 2.561831 3.046808 2.498981 39 H 2.152710 4.799282 4.384805 3.094313 2.539877 40 H 2.150259 4.865086 4.730140 2.556147 3.077509 41 C 2.549783 6.003546 5.227917 4.202361 4.190188 42 H 2.812105 6.244624 5.455524 4.423360 4.746383 43 H 2.815041 6.194502 5.158034 4.758214 4.415350 44 H 3.493486 6.848333 6.193541 4.874678 4.860078 36 37 38 39 40 36 C 0.000000 37 H 2.148920 0.000000 38 H 2.150263 1.741229 0.000000 39 H 1.088278 3.045678 2.499822 0.000000 40 H 1.088113 2.498448 3.045847 1.740727 0.000000 41 C 1.528237 2.767980 2.772009 2.150258 2.149490 42 H 2.170628 2.590278 3.128478 3.059667 2.511069 43 H 2.171119 3.126086 2.596531 2.512001 3.059511 44 H 2.171958 3.764794 3.768804 2.487512 2.486618 41 42 43 44 41 C 0.000000 42 H 1.086179 0.000000 43 H 1.086516 1.754024 0.000000 44 H 1.085813 1.754608 1.754332 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.794388 -0.971224 0.527693 2 6 0 -5.380374 -1.485404 -0.778184 3 8 0 -4.243279 -2.001424 1.293772 4 8 0 -0.842009 2.650429 -0.483086 5 6 0 -1.641017 1.795257 -0.241716 6 7 0 -2.968626 2.137374 -0.023757 7 6 0 -4.031100 1.313758 0.221563 8 8 0 -5.148698 1.728491 0.349334 9 7 0 -3.709331 -0.017727 0.294895 10 6 0 -2.416969 -0.451620 0.091268 11 6 0 -1.377471 0.352401 -0.154419 12 1 0 -5.543906 -0.436535 1.088322 13 1 0 -5.784448 -0.663507 -1.356412 14 1 0 -6.187240 -2.184994 -0.578167 15 1 0 -3.187150 3.109597 -0.084017 16 1 0 -2.294562 -1.511981 0.155349 17 6 0 -0.000791 -0.185544 -0.321630 18 1 0 -4.621573 -1.995365 -1.361895 19 1 0 -4.918056 -2.631618 1.507098 20 6 0 0.483925 -1.159888 0.547507 21 6 0 1.743697 -1.704113 0.377837 22 6 0 2.574067 -1.283892 -0.655036 23 6 0 2.093542 -0.300085 -1.510028 24 6 0 0.830994 0.244771 -1.348970 25 1 0 -0.122915 -1.484904 1.374198 26 1 0 2.085625 -2.458566 1.065454 27 6 0 3.959910 -1.871558 -0.825339 28 1 0 2.712779 0.048564 -2.318018 29 1 0 0.495299 1.008841 -2.023018 30 6 0 5.001060 -1.352298 0.180354 31 6 0 5.339562 0.131145 0.026808 32 1 0 3.898679 -2.952802 -0.730719 33 1 0 4.312002 -1.672848 -1.833752 34 1 0 4.647890 -1.539737 1.191994 35 1 0 5.909122 -1.940198 0.060564 36 6 0 6.405399 0.604533 1.017212 37 1 0 4.440751 0.728164 0.155394 38 1 0 5.686990 0.316805 -0.988961 39 1 0 7.308434 0.010885 0.888922 40 1 0 6.060497 0.417933 2.032206 41 6 0 6.746457 2.086248 0.863236 42 1 0 5.869766 2.708034 1.020017 43 1 0 7.128121 2.299197 -0.131502 44 1 0 7.502469 2.392618 1.579876 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6097150 0.1063136 0.0964625 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.2689925050 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.83D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999999 0.001175 -0.000173 0.000539 Ang= 0.15 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.116150853 A.U. after 11 cycles NFock= 11 Conv=0.98D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000012321 0.000057134 -0.000105267 2 6 -0.000083505 -0.000024272 0.000044158 3 8 0.000078146 0.000006236 -0.000108833 4 8 -0.000007293 -0.000458055 0.000076487 5 6 -0.000287786 0.000851338 -0.000117828 6 7 -0.000151967 -0.000173655 0.000436361 7 6 0.000728580 0.000134246 -0.000496352 8 8 -0.000353104 -0.000113234 0.000022964 9 7 -0.000204540 -0.000324509 0.000467859 10 6 -0.000021206 0.000143283 -0.000323379 11 6 0.000092503 0.000097257 0.000764571 12 1 -0.000068639 0.000031421 0.000050887 13 1 -0.000035868 -0.000042507 0.000020631 14 1 -0.000056433 -0.000014076 -0.000063798 15 1 0.000043830 -0.000016447 -0.000042843 16 1 0.000305758 0.000029562 0.000117333 17 6 0.000370152 -0.001233450 -0.000753353 18 1 0.000051953 0.000042012 -0.000001637 19 1 -0.000206582 0.000073384 -0.000106659 20 6 0.000344126 0.000387099 -0.000295614 21 6 -0.000313751 0.000115799 0.000033286 22 6 -0.000243437 -0.000362856 -0.000084858 23 6 0.000528158 0.000442823 -0.000274966 24 6 -0.000455821 0.000423516 0.000330901 25 1 -0.000022076 -0.000018497 0.000145078 26 1 -0.000103700 -0.000044089 0.000192083 27 6 -0.000193628 -0.000002821 0.000488926 28 1 0.000006749 0.000118344 0.000052010 29 1 0.000039887 0.000046680 -0.000111985 30 6 0.000072674 -0.000342920 -0.000063882 31 6 0.000000133 0.000154170 -0.000231689 32 1 0.000152837 0.000057622 -0.000177305 33 1 0.000027845 -0.000010697 0.000094338 34 1 0.000071451 0.000058937 0.000050739 35 1 0.000002862 0.000166190 -0.000170937 36 6 0.000017887 -0.000180151 0.000079340 37 1 -0.000044806 -0.000166104 0.000089188 38 1 -0.000095132 -0.000110057 0.000054002 39 1 0.000000129 0.000080992 -0.000029672 40 1 0.000004810 0.000096748 -0.000044769 41 6 -0.000008298 0.000005765 -0.000001871 42 1 -0.000041804 -0.000000130 0.000007167 43 1 0.000028892 -0.000026567 -0.000023735 44 1 0.000017693 0.000044538 0.000012924 ------------------------------------------------------------------- Cartesian Forces: Max 0.001233450 RMS 0.000251254 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000889445 RMS 0.000165692 Search for a local minimum. Step number 19 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 DE= -7.12D-05 DEPred=-6.88D-05 R= 1.04D+00 TightC=F SS= 1.41D+00 RLast= 9.12D-02 DXNew= 1.3131D+00 2.7371D-01 Trust test= 1.04D+00 RLast= 9.12D-02 DXMaxT set to 7.81D-01 ITU= 1 1 1 1 1 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 0 Eigenvalues --- 0.00230 0.00234 0.00264 0.00289 0.00301 Eigenvalues --- 0.00358 0.00641 0.01438 0.01471 0.01502 Eigenvalues --- 0.01529 0.01668 0.01744 0.01851 0.01866 Eigenvalues --- 0.01895 0.02070 0.02098 0.02125 0.02219 Eigenvalues --- 0.02429 0.02448 0.02481 0.02511 0.02615 Eigenvalues --- 0.03415 0.03428 0.03551 0.04305 0.04719 Eigenvalues --- 0.04760 0.04814 0.05137 0.05338 0.05431 Eigenvalues --- 0.05443 0.05498 0.05539 0.05600 0.05717 Eigenvalues --- 0.06132 0.08351 0.08370 0.08590 0.08672 Eigenvalues --- 0.09686 0.12185 0.12251 0.12331 0.13074 Eigenvalues --- 0.14279 0.15798 0.15977 0.15994 0.16000 Eigenvalues --- 0.16000 0.16004 0.16009 0.16036 0.16058 Eigenvalues --- 0.16112 0.16208 0.16478 0.18056 0.20042 Eigenvalues --- 0.20305 0.21643 0.21895 0.21981 0.22040 Eigenvalues --- 0.22631 0.23011 0.23338 0.23925 0.24380 Eigenvalues --- 0.24979 0.24997 0.25206 0.26119 0.26441 Eigenvalues --- 0.28104 0.28348 0.28905 0.29108 0.29677 Eigenvalues --- 0.30421 0.31737 0.32533 0.33319 0.33536 Eigenvalues --- 0.33568 0.33671 0.33693 0.33701 0.33727 Eigenvalues --- 0.33733 0.33745 0.33761 0.33779 0.33785 Eigenvalues --- 0.33844 0.33865 0.34326 0.34675 0.35121 Eigenvalues --- 0.37450 0.37734 0.38133 0.38466 0.39108 Eigenvalues --- 0.40177 0.43461 0.44402 0.45282 0.49088 Eigenvalues --- 0.49836 0.51656 0.52020 0.52458 0.54665 Eigenvalues --- 0.55826 0.56391 0.57036 0.59726 0.88610 Eigenvalues --- 0.91044 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 19 18 17 RFO step: Lambda=-3.71051009D-05. DidBck=F Rises=F RFO-DIIS coefs: 0.96070 0.17984 -0.14055 Iteration 1 RMS(Cart)= 0.01593187 RMS(Int)= 0.00003305 Iteration 2 RMS(Cart)= 0.00007731 RMS(Int)= 0.00000747 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000747 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87405 -0.00004 -0.00006 -0.00014 -0.00021 2.87384 R2 2.64015 -0.00015 -0.00004 -0.00042 -0.00045 2.63970 R3 2.76488 -0.00042 0.00022 -0.00048 -0.00026 2.76462 R4 2.03703 -0.00009 0.00005 -0.00028 -0.00023 2.03680 R5 2.04679 -0.00005 0.00008 -0.00019 -0.00010 2.04669 R6 2.05317 -0.00008 0.00005 -0.00018 -0.00013 2.05304 R7 2.04977 -0.00004 0.00009 -0.00020 -0.00011 2.04966 R8 1.79073 -0.00024 0.00011 -0.00047 -0.00035 1.79038 R9 2.25820 -0.00014 -0.00002 -0.00019 -0.00021 2.25799 R10 2.62331 -0.00008 0.00020 -0.00001 0.00019 2.62351 R11 2.77662 -0.00005 -0.00014 -0.00002 -0.00016 2.77646 R12 2.58235 -0.00005 -0.00005 -0.00022 -0.00027 2.58208 R13 1.88651 0.00004 -0.00006 0.00006 0.00001 1.88652 R14 2.26559 -0.00036 0.00011 -0.00038 -0.00027 2.26532 R15 2.59228 0.00026 -0.00007 0.00065 0.00058 2.59286 R16 2.60476 -0.00026 0.00003 -0.00081 -0.00078 2.60398 R17 2.52642 -0.00010 -0.00009 -0.00021 -0.00029 2.52613 R18 2.02073 0.00007 -0.00012 0.00045 0.00033 2.02106 R19 2.81093 -0.00025 0.00037 -0.00135 -0.00098 2.80995 R20 2.63188 -0.00031 0.00019 -0.00139 -0.00120 2.63068 R21 2.62697 0.00045 -0.00075 0.00154 0.00079 2.62776 R22 2.61302 0.00039 -0.00050 0.00126 0.00076 2.61377 R23 2.03293 0.00001 -0.00018 0.00041 0.00022 2.03316 R24 2.62728 -0.00008 0.00032 -0.00084 -0.00052 2.62676 R25 2.03436 0.00013 -0.00018 0.00041 0.00023 2.03459 R26 2.62515 0.00049 -0.00068 0.00170 0.00102 2.62617 R27 2.86274 0.00008 -0.00008 0.00046 0.00038 2.86312 R28 2.61632 -0.00030 0.00024 -0.00104 -0.00080 2.61553 R29 2.03342 0.00006 -0.00006 0.00012 0.00006 2.03348 R30 2.02724 0.00010 0.00011 0.00006 0.00017 2.02741 R31 2.90615 0.00029 -0.00048 0.00041 -0.00006 2.90609 R32 2.05433 -0.00017 0.00034 -0.00060 -0.00026 2.05407 R33 2.05307 -0.00002 0.00000 0.00000 0.00001 2.05308 R34 2.88996 0.00008 -0.00004 0.00015 0.00011 2.89007 R35 2.05562 -0.00001 0.00001 0.00003 0.00005 2.05566 R36 2.05672 -0.00014 0.00007 -0.00035 -0.00028 2.05644 R37 2.89135 -0.00002 -0.00014 -0.00019 -0.00033 2.89102 R38 2.05349 -0.00013 0.00021 -0.00031 -0.00010 2.05339 R39 2.05882 -0.00003 0.00004 -0.00006 -0.00002 2.05879 R40 2.05655 -0.00004 0.00007 -0.00008 -0.00000 2.05654 R41 2.05623 -0.00007 0.00010 -0.00017 -0.00007 2.05617 R42 2.88795 0.00001 -0.00009 0.00000 -0.00009 2.88786 R43 2.05258 -0.00004 0.00006 -0.00013 -0.00007 2.05251 R44 2.05322 -0.00004 0.00006 -0.00014 -0.00008 2.05314 R45 2.05189 -0.00005 0.00005 -0.00016 -0.00011 2.05178 A1 1.95358 0.00012 0.00011 0.00034 0.00044 1.95402 A2 1.94921 0.00002 -0.00057 -0.00011 -0.00068 1.94853 A3 1.92448 -0.00001 0.00041 0.00020 0.00061 1.92509 A4 1.84965 -0.00021 -0.00024 -0.00080 -0.00104 1.84860 A5 1.93356 0.00001 0.00070 -0.00032 0.00038 1.93393 A6 1.84954 0.00006 -0.00045 0.00067 0.00022 1.84976 A7 1.92366 -0.00002 -0.00000 -0.00020 -0.00020 1.92346 A8 1.92384 -0.00005 -0.00005 -0.00003 -0.00008 1.92375 A9 1.92994 0.00009 0.00009 0.00029 0.00038 1.93032 A10 1.88582 0.00003 -0.00002 0.00008 0.00006 1.88587 A11 1.90758 -0.00004 0.00001 -0.00017 -0.00016 1.90742 A12 1.89215 -0.00001 -0.00003 0.00002 -0.00000 1.89215 A13 1.91021 0.00001 -0.00016 0.00046 0.00030 1.91051 A14 2.08840 0.00028 0.00001 0.00061 0.00062 2.08902 A15 2.20783 -0.00023 -0.00014 -0.00015 -0.00030 2.20753 A16 1.98692 -0.00005 0.00016 -0.00044 -0.00029 1.98662 A17 2.24365 0.00017 -0.00035 0.00073 0.00037 2.24402 A18 2.02626 -0.00005 0.00017 -0.00012 0.00004 2.02629 A19 2.01264 -0.00011 0.00022 -0.00050 -0.00029 2.01236 A20 2.13580 0.00005 -0.00016 0.00042 0.00024 2.13604 A21 1.99570 -0.00028 0.00029 -0.00090 -0.00062 1.99508 A22 2.15164 0.00023 -0.00014 0.00053 0.00038 2.15202 A23 2.05681 0.00012 0.00021 0.00020 0.00034 2.05715 A24 2.11028 -0.00028 0.00008 -0.00076 -0.00074 2.10954 A25 2.11480 0.00016 0.00014 0.00051 0.00060 2.11540 A26 2.17347 -0.00003 -0.00017 -0.00011 -0.00028 2.17319 A27 1.99393 -0.00031 0.00058 -0.00141 -0.00082 1.99311 A28 2.11573 0.00033 -0.00041 0.00152 0.00110 2.11683 A29 2.05107 0.00002 0.00015 0.00021 0.00035 2.05142 A30 2.11117 -0.00089 -0.00072 -0.00215 -0.00287 2.10831 A31 2.12090 0.00087 0.00058 0.00190 0.00248 2.12338 A32 2.10014 0.00067 0.00064 0.00133 0.00196 2.10210 A33 2.12340 -0.00075 -0.00068 -0.00197 -0.00266 2.12075 A34 2.05953 0.00008 0.00001 0.00055 0.00055 2.06008 A35 2.11280 -0.00014 0.00013 -0.00065 -0.00052 2.11228 A36 2.08817 0.00016 -0.00004 0.00052 0.00048 2.08864 A37 2.08209 -0.00002 -0.00006 0.00015 0.00008 2.08218 A38 2.11337 0.00015 -0.00029 0.00071 0.00042 2.11379 A39 2.07925 0.00005 -0.00031 0.00037 0.00006 2.07931 A40 2.09053 -0.00020 0.00061 -0.00108 -0.00047 2.09005 A41 2.05409 -0.00010 0.00021 -0.00037 -0.00017 2.05392 A42 2.10906 -0.00046 0.00121 -0.00212 -0.00091 2.10815 A43 2.11996 0.00056 -0.00141 0.00252 0.00110 2.12107 A44 2.12063 -0.00005 -0.00009 -0.00010 -0.00019 2.12045 A45 2.08582 0.00009 -0.00016 0.00030 0.00014 2.08596 A46 2.07674 -0.00004 0.00025 -0.00020 0.00005 2.07678 A47 2.10574 0.00006 0.00005 -0.00007 -0.00003 2.10572 A48 2.09161 -0.00008 -0.00007 -0.00026 -0.00033 2.09128 A49 2.08583 0.00002 0.00002 0.00032 0.00034 2.08617 A50 1.99856 -0.00035 0.00087 -0.00193 -0.00107 1.99748 A51 1.90130 -0.00000 0.00076 -0.00174 -0.00100 1.90031 A52 1.90696 0.00012 -0.00130 0.00179 0.00049 1.90745 A53 1.89341 0.00011 0.00136 -0.00107 0.00028 1.89368 A54 1.90268 0.00020 -0.00116 0.00256 0.00141 1.90409 A55 1.85559 -0.00005 -0.00059 0.00054 -0.00005 1.85554 A56 1.99513 0.00024 -0.00136 0.00107 -0.00030 1.99484 A57 1.90730 -0.00016 0.00146 -0.00191 -0.00045 1.90686 A58 1.88650 0.00000 0.00021 0.00043 0.00064 1.88714 A59 1.90963 -0.00001 0.00009 -0.00037 -0.00028 1.90935 A60 1.90524 -0.00017 0.00058 -0.00073 -0.00015 1.90509 A61 1.85476 0.00009 -0.00097 0.00158 0.00061 1.85537 A62 1.97069 0.00012 0.00035 0.00012 0.00048 1.97117 A63 1.91556 -0.00006 -0.00023 -0.00045 -0.00068 1.91488 A64 1.90657 -0.00004 0.00019 -0.00045 -0.00026 1.90631 A65 1.90668 -0.00004 0.00031 -0.00040 -0.00009 1.90660 A66 1.90566 -0.00006 0.00025 -0.00042 -0.00017 1.90549 A67 1.85508 0.00010 -0.00095 0.00169 0.00074 1.85582 A68 1.91023 0.00000 0.00006 -0.00009 -0.00004 1.91020 A69 1.90704 0.00001 0.00007 0.00016 0.00023 1.90727 A70 1.97167 -0.00003 0.00021 -0.00044 -0.00023 1.97143 A71 1.85400 0.00004 -0.00062 0.00096 0.00034 1.85434 A72 1.90904 -0.00001 0.00015 -0.00032 -0.00017 1.90886 A73 1.90815 -0.00001 0.00008 -0.00017 -0.00009 1.90806 A74 1.93944 0.00002 -0.00001 0.00012 0.00011 1.93955 A75 1.93978 0.00002 -0.00002 0.00015 0.00013 1.93991 A76 1.94170 0.00002 -0.00009 0.00005 -0.00004 1.94166 A77 1.87914 -0.00002 0.00004 -0.00018 -0.00014 1.87899 A78 1.88093 -0.00002 0.00004 -0.00007 -0.00003 1.88091 A79 1.88008 -0.00002 0.00005 -0.00009 -0.00005 1.88003 D1 -3.12527 0.00009 0.00035 0.00165 0.00200 -3.12328 D2 1.07780 0.00010 0.00041 0.00170 0.00210 1.07990 D3 -1.01416 0.00009 0.00042 0.00150 0.00192 -1.01225 D4 -1.05451 -0.00008 -0.00028 0.00078 0.00051 -1.05400 D5 -3.13462 -0.00007 -0.00022 0.00083 0.00061 -3.13401 D6 1.05660 -0.00008 -0.00021 0.00063 0.00043 1.05703 D7 0.99702 -0.00000 -0.00093 0.00168 0.00075 0.99776 D8 -1.08310 0.00001 -0.00087 0.00172 0.00085 -1.08225 D9 3.10812 -0.00000 -0.00086 0.00153 0.00067 3.10879 D10 -1.05655 -0.00001 -0.00037 0.00204 0.00167 -1.05488 D11 3.09777 0.00003 0.00042 0.00250 0.00293 3.10070 D12 1.09925 0.00007 0.00075 0.00231 0.00306 1.10231 D13 1.59430 0.00007 0.00342 0.00327 0.00669 1.60099 D14 -1.49321 0.00005 -0.00208 0.00437 0.00229 -1.49092 D15 -2.55722 0.00009 0.00306 0.00310 0.00616 -2.55107 D16 0.63846 0.00007 -0.00244 0.00420 0.00176 0.64021 D17 -0.50180 0.00004 0.00352 0.00267 0.00620 -0.49561 D18 2.69388 0.00001 -0.00197 0.00377 0.00180 2.69567 D19 3.10219 0.00021 0.00232 0.00357 0.00589 3.10808 D20 0.00111 0.00015 0.00146 0.00036 0.00183 0.00293 D21 -0.03051 -0.00006 0.00049 0.00134 0.00182 -0.02869 D22 -3.13160 -0.00012 -0.00037 -0.00187 -0.00224 -3.13383 D23 -3.10990 -0.00020 -0.00108 -0.00451 -0.00559 -3.11549 D24 0.04138 -0.00016 -0.00156 -0.00041 -0.00197 0.03940 D25 0.02208 0.00009 0.00090 -0.00209 -0.00119 0.02089 D26 -3.10982 0.00013 0.00042 0.00201 0.00242 -3.10740 D27 -3.09549 -0.00002 0.00257 -0.00564 -0.00306 -3.09855 D28 0.03576 -0.00002 -0.00335 0.00050 -0.00284 0.03292 D29 0.00586 0.00004 0.00342 -0.00245 0.00098 0.00684 D30 3.13711 0.00005 -0.00249 0.00369 0.00120 3.13831 D31 -3.12013 0.00004 -0.00065 -0.00049 -0.00113 -3.12126 D32 -0.03277 0.00005 0.00487 -0.00163 0.00324 -0.02953 D33 0.01101 0.00004 -0.00663 0.00571 -0.00091 0.01010 D34 3.09837 0.00005 -0.00112 0.00457 0.00346 3.10183 D35 3.11675 0.00003 0.00170 -0.00029 0.00141 3.11816 D36 -0.03588 -0.00001 0.00154 -0.00049 0.00105 -0.03483 D37 0.03105 0.00000 -0.00399 0.00085 -0.00313 0.02792 D38 -3.12158 -0.00004 -0.00414 0.00065 -0.00349 -3.12507 D39 -0.02457 -0.00008 0.00082 0.00115 0.00196 -0.02261 D40 3.10728 -0.00012 0.00129 -0.00300 -0.00172 3.10556 D41 3.12879 -0.00003 0.00098 0.00138 0.00236 3.13115 D42 -0.02254 -0.00007 0.00145 -0.00277 -0.00132 -0.02387 D43 2.36260 0.00010 0.00239 -0.00085 0.00154 2.36414 D44 -0.79600 -0.00006 0.00071 -0.00728 -0.00657 -0.80257 D45 -0.76892 0.00014 0.00189 0.00343 0.00532 -0.76360 D46 2.35567 -0.00002 0.00021 -0.00300 -0.00278 2.35288 D47 3.10174 -0.00008 -0.00036 -0.00275 -0.00312 3.09862 D48 -0.05716 -0.00001 0.00141 -0.00176 -0.00036 -0.05752 D49 -0.02346 0.00009 0.00126 0.00348 0.00474 -0.01872 D50 3.10083 0.00016 0.00303 0.00447 0.00750 3.10833 D51 -3.10643 0.00003 -0.00018 0.00197 0.00178 -3.10465 D52 0.03895 0.00010 -0.00032 0.00564 0.00531 0.04426 D53 0.01854 -0.00012 -0.00182 -0.00431 -0.00613 0.01241 D54 -3.11927 -0.00005 -0.00196 -0.00064 -0.00259 -3.12186 D55 0.01496 0.00003 -0.00078 0.00132 0.00054 0.01549 D56 -3.13694 0.00005 0.00022 0.00174 0.00196 -3.13498 D57 -3.10939 -0.00004 -0.00254 0.00033 -0.00222 -3.11161 D58 0.02190 -0.00002 -0.00154 0.00075 -0.00080 0.02111 D59 -0.00092 -0.00011 0.00079 -0.00517 -0.00438 -0.00530 D60 3.12813 -0.00006 0.00099 -0.00239 -0.00140 3.12673 D61 -3.13215 -0.00013 -0.00021 -0.00560 -0.00581 -3.13796 D62 -0.00310 -0.00008 -0.00002 -0.00282 -0.00284 -0.00593 D63 -0.00395 0.00007 -0.00137 0.00433 0.00296 -0.00099 D64 3.13903 0.00009 -0.00219 0.00513 0.00294 -3.14121 D65 -3.13292 0.00003 -0.00159 0.00156 -0.00002 -3.13294 D66 0.01007 0.00005 -0.00241 0.00237 -0.00004 0.01002 D67 -1.32237 0.00008 0.00901 0.00345 0.01246 -1.30991 D68 0.80090 -0.00002 0.01189 -0.00055 0.01134 0.81224 D69 2.82121 -0.00002 0.01089 0.00011 0.01100 2.83221 D70 1.80620 0.00013 0.00923 0.00632 0.01554 1.82174 D71 -2.35372 0.00002 0.01210 0.00232 0.01442 -2.33929 D72 -0.33341 0.00003 0.01111 0.00298 0.01408 -0.31932 D73 -0.00510 0.00005 0.00193 0.00042 0.00234 -0.00276 D74 3.13272 -0.00002 0.00207 -0.00324 -0.00118 3.13153 D75 3.13511 0.00002 0.00274 -0.00038 0.00236 3.13747 D76 -0.01026 -0.00005 0.00288 -0.00404 -0.00116 -0.01143 D77 -1.15713 -0.00008 0.00001 0.00345 0.00346 -1.15367 D78 0.98939 -0.00005 0.00028 0.00226 0.00255 0.99193 D79 3.00080 -0.00002 0.00002 0.00335 0.00338 3.00418 D80 2.99846 0.00008 -0.00253 0.00780 0.00527 3.00373 D81 -1.13820 0.00012 -0.00225 0.00661 0.00435 -1.13385 D82 0.87321 0.00015 -0.00251 0.00770 0.00519 0.87840 D83 0.98479 -0.00003 -0.00195 0.00637 0.00442 0.98921 D84 3.13131 0.00001 -0.00167 0.00518 0.00351 3.13482 D85 -1.14046 0.00004 -0.00194 0.00628 0.00434 -1.13612 D86 -3.11422 -0.00003 0.00103 -0.00526 -0.00423 -3.11845 D87 1.03722 -0.00001 0.00055 -0.00451 -0.00395 1.03327 D88 -0.99024 -0.00006 0.00172 -0.00603 -0.00431 -0.99455 D89 1.02371 0.00001 0.00002 -0.00324 -0.00322 1.02048 D90 -1.10804 0.00003 -0.00046 -0.00248 -0.00295 -1.11099 D91 -3.13550 -0.00002 0.00070 -0.00401 -0.00330 -3.13880 D92 -0.99928 0.00000 0.00080 -0.00451 -0.00371 -1.00300 D93 -3.13103 0.00003 0.00032 -0.00376 -0.00344 -3.13447 D94 1.12470 -0.00003 0.00149 -0.00528 -0.00380 1.12090 D95 1.00822 0.00003 0.00018 -0.00039 -0.00021 1.00800 D96 -1.01522 -0.00002 0.00085 -0.00158 -0.00073 -1.01595 D97 3.13981 -0.00000 0.00056 -0.00118 -0.00062 3.13919 D98 -3.13825 -0.00001 0.00036 -0.00118 -0.00082 -3.13907 D99 1.12151 -0.00006 0.00103 -0.00237 -0.00134 1.12017 D100 -1.00666 -0.00004 0.00074 -0.00197 -0.00123 -1.00788 D101 -1.11628 0.00005 -0.00047 0.00039 -0.00008 -1.11636 D102 -3.13971 -0.00000 0.00020 -0.00080 -0.00059 -3.14030 D103 1.01531 0.00002 -0.00009 -0.00040 -0.00048 1.01483 D104 1.04330 0.00000 -0.00002 0.00026 0.00025 1.04355 D105 -1.04901 0.00001 -0.00005 0.00031 0.00026 -1.04874 D106 3.13917 0.00000 -0.00003 0.00029 0.00026 3.13943 D107 -3.10762 -0.00002 0.00031 -0.00040 -0.00008 -3.10771 D108 1.08325 -0.00002 0.00028 -0.00035 -0.00006 1.08319 D109 -1.01175 -0.00002 0.00029 -0.00036 -0.00007 -1.01182 D110 -1.08424 0.00001 -0.00030 0.00048 0.00018 -1.08406 D111 3.10664 0.00002 -0.00033 0.00052 0.00020 3.10683 D112 1.01163 0.00002 -0.00032 0.00051 0.00019 1.01182 Item Value Threshold Converged? Maximum Force 0.000889 0.000450 NO RMS Force 0.000166 0.000300 YES Maximum Displacement 0.056887 0.001800 NO RMS Displacement 0.015924 0.001200 NO Predicted change in Energy=-1.845152D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.018172 -4.617456 2.473180 2 6 0 7.189752 -3.445563 3.427103 3 8 0 6.753120 -5.809110 3.152114 4 8 0 2.852708 -3.691761 -0.925014 5 6 0 3.709283 -3.948440 -0.132469 6 7 0 5.030868 -3.638682 -0.423736 7 6 0 6.139163 -3.816229 0.355458 8 8 0 7.231609 -3.466497 0.007230 9 7 0 5.889309 -4.413330 1.565274 10 6 0 4.608747 -4.756340 1.941164 11 6 0 3.523121 -4.578370 1.181760 12 1 0 7.888754 -4.719642 1.845994 13 1 0 7.375385 -2.534781 2.871194 14 1 0 8.037459 -3.617447 4.084494 15 1 0 5.195421 -3.202578 -1.306540 16 1 0 4.540862 -5.200158 2.911857 17 6 0 2.174919 -5.013835 1.633180 18 1 0 6.302747 -3.317857 4.038122 19 1 0 7.475205 -6.009500 3.731818 20 6 0 2.000696 -6.255209 2.238623 21 6 0 0.761681 -6.651547 2.708582 22 6 0 -0.352865 -5.831649 2.575455 23 6 0 -0.177109 -4.598170 1.959882 24 6 0 1.061490 -4.192527 1.494052 25 1 0 2.837965 -6.924400 2.332037 26 1 0 0.662722 -7.615743 3.177327 27 6 0 -1.710503 -6.281149 3.075748 28 1 0 -1.019989 -3.939756 1.841687 29 1 0 1.159513 -3.237418 1.015318 30 6 0 -2.398488 -7.333725 2.190482 31 6 0 -2.794460 -6.827181 0.802835 32 1 0 -1.598516 -6.691669 4.075963 33 1 0 -2.361792 -5.416875 3.171731 34 1 0 -1.745521 -8.197586 2.086993 35 1 0 -3.288247 -7.683799 2.710101 36 6 0 -3.504610 -7.888825 -0.039231 37 1 0 -1.910991 -6.481784 0.272833 38 1 0 -3.445916 -5.960514 0.909757 39 1 0 -4.391649 -8.235346 0.487484 40 1 0 -2.855857 -8.755794 -0.145978 41 6 0 -3.903425 -7.382016 -1.424675 42 1 0 -3.033202 -7.059961 -1.989212 43 1 0 -4.581066 -6.535843 -1.352441 44 1 0 -4.402465 -8.156937 -1.998537 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520770 0.000000 3 O 1.396869 2.419219 0.000000 4 O 5.454881 6.149105 6.026554 0.000000 5 C 4.264474 5.003709 4.849281 1.194878 0.000000 6 N 3.646848 4.418941 4.523673 2.235728 1.388299 7 C 2.428862 3.267435 3.488525 3.529290 2.481908 8 O 2.729683 3.420193 3.950580 4.482700 3.557888 9 N 1.462975 2.468630 2.283076 3.992886 2.801957 10 C 2.471368 3.253881 2.678257 3.525901 2.400353 11 C 3.726215 4.446235 3.978682 2.382021 1.469240 12 H 1.077830 2.147507 2.045130 5.839245 4.687969 13 H 2.150245 1.083060 3.344751 6.017010 4.945779 14 H 2.152974 1.086422 2.705965 7.209878 6.051895 15 H 4.428384 5.142351 5.394444 2.423462 2.035524 16 H 2.582449 3.218804 2.307083 4.454964 3.395032 17 C 4.931513 5.552134 4.888717 2.958316 2.570381 18 H 2.156348 1.084635 2.682198 6.056013 4.951517 19 H 1.931537 2.597712 0.947428 6.958842 5.776059 20 C 5.283211 6.019377 4.859938 4.160022 3.723242 21 C 6.583056 7.219052 6.066611 5.131836 4.905783 22 C 7.471071 7.956745 7.129380 5.206543 5.232625 23 C 7.213593 7.599466 7.135536 4.280653 4.461403 24 C 6.051555 6.469177 6.144686 3.051411 3.117043 25 H 4.776614 5.677986 4.152690 4.588960 3.960975 26 H 7.062386 7.749510 6.352756 6.084642 5.803912 27 C 8.906218 9.347649 8.477120 6.598023 6.716269 28 H 8.091359 8.376014 8.101415 4.765911 5.124781 29 H 6.193041 6.497986 6.516743 2.615000 2.885185 30 C 9.804668 10.420239 9.327438 7.109519 7.359423 31 C 10.196111 10.863085 9.884931 6.686316 7.173605 32 H 9.006585 9.391053 8.448800 7.336389 7.308141 33 H 9.439850 9.756192 9.123369 6.852032 7.066257 34 H 9.474639 10.208659 8.891917 7.107626 7.261965 35 H 10.755504 11.325423 10.224426 8.176903 8.426063 36 C 11.302345 12.088318 10.942163 7.669122 8.220436 37 H 9.383347 10.099088 9.154757 5.649061 6.178154 38 H 10.665142 11.215144 10.443727 6.941635 7.505435 39 H 12.133265 12.872926 11.712931 8.667180 9.186239 40 H 11.021899 11.911327 10.577939 7.670660 8.137069 41 C 11.921298 12.731614 11.703973 7.714465 8.450595 42 H 11.265385 12.120608 11.125195 6.864490 7.654421 43 H 12.363572 13.074634 12.218140 7.970727 8.769999 44 H 12.765388 13.638700 12.509540 8.586489 9.327064 6 7 8 9 10 6 N 0.000000 7 C 1.366376 0.000000 8 O 2.249142 1.198755 0.000000 9 N 2.300687 1.372083 2.264015 0.000000 10 C 2.649547 2.395923 3.504740 1.377965 0.000000 11 C 2.394563 2.847334 4.045821 2.402741 1.336769 12 H 3.806266 2.469600 2.320186 2.042159 3.281593 13 H 4.191888 3.082090 3.015137 2.728149 3.668047 14 H 5.418872 4.189123 4.158877 3.405062 4.200834 15 H 0.998301 2.007350 2.437562 3.192916 3.647731 16 H 3.715440 3.317378 4.322332 2.061721 1.069498 17 C 3.778677 4.333828 5.532457 3.763231 2.466714 18 H 4.650676 3.719832 4.139199 2.736050 3.055503 19 H 5.372541 4.242081 4.516498 3.123578 3.604641 20 C 4.807943 5.159635 6.333915 4.355137 3.022750 21 C 6.092186 6.518706 7.700767 5.710458 4.356679 22 C 6.541317 7.150995 8.349489 6.480495 5.116268 23 C 5.807347 6.563604 7.744846 6.082048 4.788505 24 C 4.443042 5.217352 6.388124 4.833390 3.619507 25 H 4.816539 4.946261 6.055240 4.025431 2.826470 26 H 6.918480 7.238139 8.391426 6.338089 5.027464 27 C 8.042083 8.665625 9.864047 7.970409 6.598882 28 H 6.468049 7.312837 8.466290 6.931022 5.688529 29 H 4.149613 5.056417 6.159470 4.904711 3.880919 30 C 8.699586 9.414434 10.604753 8.809492 7.470368 31 C 8.538546 9.437987 10.604209 9.045210 7.771206 32 H 8.574191 9.054390 10.243409 8.219605 6.843462 33 H 8.410754 9.097236 10.288410 8.465723 7.109080 34 H 8.544402 9.184919 10.358450 8.537178 7.227735 35 H 9.766862 10.458418 11.651546 9.809899 8.457174 36 C 9.542848 10.475885 11.611440 10.143924 8.919696 37 H 7.533780 8.480388 9.630661 8.172734 6.947479 38 H 8.889600 9.837629 11.002010 9.485247 8.209229 39 H 10.523472 11.421209 12.572696 11.021230 9.758267 40 H 9.405445 10.274294 11.391097 9.912784 8.721932 41 C 9.738379 10.804503 11.889938 10.660700 9.522611 42 H 8.898601 10.007575 11.057356 9.962441 8.896849 43 H 10.081930 11.190913 12.280427 11.074605 9.923061 44 H 10.577448 11.640832 12.703347 11.516768 10.406116 11 12 13 14 15 11 C 0.000000 12 H 4.418135 0.000000 13 H 4.676578 2.467428 0.000000 14 H 5.452384 2.499566 1.755734 0.000000 15 H 3.298640 4.415201 4.759376 6.108399 0.000000 16 H 2.101346 3.546173 3.891068 4.013258 4.713135 17 C 1.486963 5.725361 5.892643 6.506014 4.587596 18 H 4.180194 3.047269 1.767903 1.761003 5.459383 19 H 4.916289 2.321871 3.581105 2.482424 6.201715 20 C 2.499305 6.097651 6.567268 6.841603 5.665068 21 C 3.775552 7.434480 7.792001 8.002240 6.904682 22 C 4.305387 8.348231 8.407297 8.807805 7.263977 23 C 3.781212 8.067582 7.882146 8.541365 6.440595 24 C 2.511181 6.856621 6.671575 7.463595 5.090452 25 H 2.701191 5.532420 6.336216 6.406386 5.713912 26 H 4.624911 7.897809 8.424354 8.437776 7.754124 27 C 5.820435 9.802874 9.830080 10.155572 8.739212 28 H 4.634995 8.942815 8.574155 9.336564 7.006146 29 H 2.722591 6.940440 6.524956 7.541247 4.656264 30 C 6.608702 10.619767 10.909712 11.238638 9.325394 31 C 6.716589 10.938966 11.230697 11.764445 9.023602 32 H 6.250888 9.943337 9.963036 10.114491 9.343589 33 H 6.268595 10.359412 10.159203 10.593182 9.059221 34 H 6.455754 10.245654 10.764444 10.985189 9.200154 35 H 7.640304 11.595614 11.842778 12.111804 10.401316 36 C 7.863773 11.975247 12.470391 12.979566 9.962806 37 H 5.829126 10.080426 10.419553 11.031992 7.984278 38 H 7.109978 11.440763 11.518830 12.142357 9.337606 39 H 8.746374 12.845778 13.290658 13.738493 10.975389 40 H 7.739839 11.649254 12.348386 12.765729 9.849273 41 C 8.355089 12.523618 13.006219 13.678729 10.013523 42 H 7.694071 11.809955 12.346639 13.088176 9.113489 43 H 8.713881 13.000961 13.296779 14.046511 10.329205 44 H 9.259338 13.329272 13.929849 14.572644 10.823306 16 17 18 19 20 16 H 0.000000 17 C 2.695815 0.000000 18 H 2.813498 5.069423 0.000000 19 H 3.152418 5.786940 2.951852 0.000000 20 C 2.831752 1.392094 5.511250 5.679811 0.000000 21 C 4.053401 2.415746 6.601862 6.821338 1.383150 22 C 4.945757 2.818934 7.263313 7.915017 2.414976 23 C 4.850557 2.410715 6.924364 7.980572 2.750693 24 C 3.889926 1.390549 5.891360 7.031695 2.385614 25 H 2.491799 2.139694 5.284183 4.929546 1.075900 26 H 4.576625 3.382463 7.143016 7.021211 2.126592 27 C 6.346256 4.334004 8.597641 9.213113 3.804530 28 H 5.801460 3.377063 7.670302 8.945656 3.826672 29 H 4.345427 2.137395 5.966295 7.412947 3.363202 30 C 7.295688 5.158344 9.759736 10.080630 4.529717 31 C 7.803982 5.354664 10.273345 10.710442 5.038072 32 H 6.424306 4.798033 8.591507 9.105834 4.064559 33 H 6.910943 4.807424 8.957162 9.870736 4.539251 34 H 7.013101 5.070706 9.612142 9.618470 4.222554 35 H 8.216090 6.175326 10.621312 10.940708 5.498735 36 C 8.981507 6.581760 11.562993 11.760485 6.177841 37 H 7.087554 4.549734 9.573574 10.014405 4.383716 38 H 8.268928 5.745723 10.573871 11.279952 5.614118 39 H 9.740621 7.403415 12.294666 12.502092 6.917334 40 H 8.758102 6.517389 11.443682 11.371467 5.960315 41 C 9.740226 7.204514 12.268883 12.567674 7.039041 42 H 9.211178 6.665799 11.725700 12.010840 6.622866 43 H 10.157651 7.541470 12.564673 13.095053 7.502939 44 H 10.622505 8.144350 13.208313 13.361419 7.910156 21 22 23 24 25 21 C 0.000000 22 C 1.390024 0.000000 23 C 2.378704 1.389709 0.000000 24 C 2.758939 2.420031 1.384077 0.000000 25 H 2.127720 3.381531 3.826293 3.364701 0.000000 26 H 1.076657 2.139313 3.360541 3.835471 2.433958 27 C 2.526598 1.515099 2.535522 3.814190 4.653540 28 H 3.358520 2.136054 1.076069 2.125393 4.902280 29 H 3.831668 3.383984 2.128474 1.072859 4.259670 30 C 3.274211 2.566906 3.531425 4.724784 5.254334 31 C 4.038423 3.177208 3.627365 4.720967 5.837133 32 H 2.727979 2.131386 3.298626 4.470750 4.772610 33 H 3.390428 2.136205 2.629011 4.004060 5.478612 34 H 3.010427 2.788502 3.928342 4.926600 4.763338 35 H 4.179410 3.473479 4.445573 5.708587 6.184666 36 C 5.223272 4.582800 5.088922 6.071477 6.839685 37 H 3.620064 2.855258 3.066021 3.945594 5.195076 38 H 4.627869 3.515412 3.693758 4.876873 6.514532 39 H 5.830823 5.142874 5.758416 6.862527 7.575504 40 H 5.065860 4.713999 5.375516 6.233675 6.474115 41 C 6.275397 5.568765 5.752430 6.583478 7.731018 42 H 6.052867 5.434072 5.460131 6.092767 7.291240 43 H 6.711947 5.813944 5.841310 6.740333 8.292670 44 H 7.147837 6.536637 6.796142 7.600627 8.526245 26 27 28 29 30 26 H 0.000000 27 C 2.724639 0.000000 28 H 4.257738 2.735295 0.000000 29 H 4.908239 4.663331 2.434418 0.000000 30 C 3.228685 1.537835 3.679802 5.551585 0.000000 31 C 4.267570 2.576675 3.544740 5.344665 1.529361 32 H 2.602817 1.086967 3.591616 5.376441 2.146446 33 H 3.739350 1.086444 2.398194 4.669019 2.153720 34 H 2.706844 2.156756 4.326163 5.847304 1.087811 35 H 3.979082 2.142523 4.462846 6.513460 1.088223 36 C 5.271383 3.937835 5.030541 6.670959 2.550149 37 H 4.043012 2.817230 3.117225 4.528265 2.154259 38 H 4.976200 2.793919 3.291972 5.351296 2.150132 39 H 5.758978 4.207914 5.626193 7.488209 2.772330 40 H 4.972371 4.220808 5.524078 6.922735 2.773177 41 C 6.487122 5.125878 5.552700 6.983165 3.916187 42 H 6.376667 5.292438 5.335213 6.420116 4.236466 43 H 7.013010 5.283357 5.442738 7.031368 4.237047 44 H 7.262134 6.042650 6.631221 8.013775 4.716087 31 32 33 34 35 31 C 0.000000 32 H 3.487408 0.000000 33 H 2.790669 1.739346 0.000000 34 H 2.151127 2.499080 3.047754 0.000000 35 H 2.148322 2.388534 2.492060 1.741335 0.000000 36 C 1.529861 4.690544 4.210326 2.776789 2.765443 37 H 1.086609 3.821713 3.121036 2.502505 3.046629 38 H 1.089467 3.737959 2.566592 3.046592 2.497160 39 H 2.152530 4.802261 4.389679 3.092224 2.541992 40 H 2.150247 4.864802 4.732829 2.555504 3.081123 41 C 2.549400 6.003849 5.231191 4.201608 4.191167 42 H 2.811887 6.243421 5.457642 4.423546 4.747395 43 H 2.814614 6.195761 5.161918 4.757249 4.415136 44 H 3.493081 6.848992 6.197093 4.873660 4.861750 36 37 38 39 40 36 C 0.000000 37 H 2.148667 0.000000 38 H 2.149978 1.741663 0.000000 39 H 1.088275 3.045442 2.499517 0.000000 40 H 1.088077 2.497858 3.045708 1.740918 0.000000 41 C 1.528189 2.767985 2.771201 2.150089 2.149356 42 H 2.170636 2.590462 3.127801 3.059563 2.510938 43 H 2.171137 3.126298 2.595594 2.511874 3.059425 44 H 2.171844 3.764665 3.767949 2.487280 2.486484 41 42 43 44 41 C 0.000000 42 H 1.086144 0.000000 43 H 1.086473 1.753870 0.000000 44 H 1.085754 1.754516 1.754219 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.789791 -0.969954 0.540943 2 6 0 -5.376854 -1.497207 -0.759097 3 8 0 -4.234668 -1.991307 1.315486 4 8 0 -0.839905 2.645322 -0.500171 5 6 0 -1.639631 1.791749 -0.256071 6 7 0 -2.966639 2.135308 -0.036092 7 6 0 -4.028396 1.313840 0.218557 8 8 0 -5.144946 1.729793 0.350141 9 7 0 -3.706409 -0.017638 0.296661 10 6 0 -2.415068 -0.453000 0.092487 11 6 0 -1.376537 0.349334 -0.161808 12 1 0 -5.538745 -0.430977 1.097979 13 1 0 -5.782142 -0.681176 -1.344634 14 1 0 -6.182962 -2.195284 -0.551273 15 1 0 -3.184812 3.107451 -0.098904 16 1 0 -2.293371 -1.513125 0.164254 17 6 0 0.000880 -0.185741 -0.327563 18 1 0 -4.618640 -2.012233 -1.339004 19 1 0 -4.906739 -2.622067 1.534762 20 6 0 0.490147 -1.155882 0.542706 21 6 0 1.750582 -1.698490 0.369548 22 6 0 2.576399 -1.280109 -0.667347 23 6 0 2.088816 -0.302979 -1.526865 24 6 0 0.825680 0.238745 -1.363491 25 1 0 -0.113811 -1.481178 1.371548 26 1 0 2.096131 -2.451470 1.057157 27 6 0 3.963188 -1.865725 -0.838801 28 1 0 2.703253 0.042406 -2.339946 29 1 0 0.484509 0.998255 -2.040081 30 6 0 5.000537 -1.352226 0.173701 31 6 0 5.333728 0.133882 0.034378 32 1 0 3.901551 -2.947380 -0.750932 33 1 0 4.317300 -1.660976 -1.845301 34 1 0 4.645288 -1.549783 1.182712 35 1 0 5.911078 -1.935341 0.050737 36 6 0 6.391515 0.604124 1.034596 37 1 0 4.431373 0.725457 0.162879 38 1 0 5.686436 0.329062 -0.977769 39 1 0 7.297856 0.015380 0.907042 40 1 0 6.041455 0.408745 2.046127 41 6 0 6.727160 2.088302 0.893466 42 1 0 5.847053 2.705313 1.049735 43 1 0 7.113586 2.310299 -0.097400 44 1 0 7.477725 2.392497 1.616639 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6078806 0.1064670 0.0966922 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.6818088628 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.83D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 0.000670 0.000016 -0.000266 Ang= 0.08 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.116170515 A.U. after 11 cycles NFock= 11 Conv=0.64D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000347389 0.000163663 -0.000203392 2 6 0.000060477 -0.000064115 0.000079696 3 8 0.000130478 -0.000143197 0.000011100 4 8 -0.000010740 -0.000101620 0.000004286 5 6 0.000181572 0.000246423 -0.000176676 6 7 -0.000303914 0.000082425 0.000183886 7 6 0.000410042 -0.000057016 -0.000150960 8 8 -0.000196716 -0.000030462 0.000030213 9 7 0.000304773 -0.000137210 0.000073379 10 6 -0.000232369 0.000069698 -0.000068531 11 6 0.000029997 -0.000079904 0.000284094 12 1 0.000009854 0.000041735 0.000039256 13 1 -0.000008538 0.000006106 0.000004503 14 1 -0.000014156 0.000009772 -0.000008599 15 1 0.000029010 -0.000019313 -0.000059233 16 1 0.000143567 0.000083540 -0.000029601 17 6 0.000278413 -0.000275584 0.000087417 18 1 0.000007680 0.000023818 -0.000003513 19 1 -0.000031931 0.000011443 0.000036625 20 6 0.000191813 0.000111798 -0.000065297 21 6 -0.000128328 -0.000036984 0.000011869 22 6 -0.000127123 0.000027118 0.000060953 23 6 0.000183569 0.000110069 -0.000174372 24 6 -0.000416429 0.000036869 -0.000105506 25 1 -0.000114066 -0.000025991 -0.000006446 26 1 -0.000060835 -0.000026042 0.000031930 27 6 0.000016398 0.000076557 0.000360948 28 1 -0.000011630 0.000071013 0.000049738 29 1 0.000010270 0.000008268 0.000011257 30 6 0.000063297 -0.000245417 -0.000178341 31 6 0.000067030 0.000183213 -0.000108360 32 1 0.000061145 -0.000014203 -0.000057183 33 1 0.000007115 -0.000042815 -0.000006890 34 1 -0.000000044 0.000052231 0.000080627 35 1 -0.000022524 0.000080659 -0.000074197 36 6 -0.000059328 -0.000175805 0.000074710 37 1 -0.000072473 -0.000080173 0.000035995 38 1 -0.000029201 -0.000062436 0.000018593 39 1 0.000008724 0.000038176 -0.000025104 40 1 0.000007511 0.000069180 -0.000019416 41 6 -0.000008840 0.000009282 -0.000034269 42 1 -0.000010669 0.000000559 0.000002720 43 1 0.000006584 -0.000007267 -0.000003400 44 1 -0.000002078 0.000011938 -0.000014506 ------------------------------------------------------------------- Cartesian Forces: Max 0.000416429 RMS 0.000122335 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000362918 RMS 0.000073734 Search for a local minimum. Step number 20 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 20 DE= -1.97D-05 DEPred=-1.85D-05 R= 1.07D+00 TightC=F SS= 1.41D+00 RLast= 4.56D-02 DXNew= 1.3131D+00 1.3670D-01 Trust test= 1.07D+00 RLast= 4.56D-02 DXMaxT set to 7.81D-01 ITU= 1 1 1 1 1 1 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 0 Eigenvalues --- 0.00230 0.00234 0.00259 0.00289 0.00300 Eigenvalues --- 0.00354 0.00666 0.01384 0.01469 0.01503 Eigenvalues --- 0.01541 0.01602 0.01736 0.01834 0.01875 Eigenvalues --- 0.01991 0.02084 0.02094 0.02146 0.02289 Eigenvalues --- 0.02413 0.02443 0.02479 0.02541 0.02619 Eigenvalues --- 0.03415 0.03431 0.03593 0.04298 0.04696 Eigenvalues --- 0.04761 0.04788 0.05170 0.05334 0.05431 Eigenvalues --- 0.05444 0.05483 0.05531 0.05597 0.05890 Eigenvalues --- 0.06167 0.08363 0.08367 0.08609 0.08674 Eigenvalues --- 0.09727 0.12177 0.12242 0.12315 0.13071 Eigenvalues --- 0.14344 0.15799 0.15974 0.15979 0.16000 Eigenvalues --- 0.16000 0.16008 0.16010 0.16035 0.16066 Eigenvalues --- 0.16103 0.16200 0.16423 0.18250 0.20149 Eigenvalues --- 0.20379 0.21664 0.21801 0.21910 0.22013 Eigenvalues --- 0.22638 0.23030 0.23314 0.23966 0.24351 Eigenvalues --- 0.24746 0.24984 0.25065 0.25587 0.26477 Eigenvalues --- 0.27978 0.28124 0.28355 0.28911 0.29190 Eigenvalues --- 0.30431 0.31672 0.32491 0.33257 0.33536 Eigenvalues --- 0.33568 0.33670 0.33693 0.33701 0.33724 Eigenvalues --- 0.33733 0.33746 0.33762 0.33781 0.33786 Eigenvalues --- 0.33861 0.33903 0.34231 0.34670 0.34996 Eigenvalues --- 0.37467 0.37802 0.38124 0.38294 0.39104 Eigenvalues --- 0.40611 0.42861 0.43688 0.44929 0.48920 Eigenvalues --- 0.49279 0.51468 0.51868 0.52685 0.54809 Eigenvalues --- 0.55960 0.56833 0.57568 0.59735 0.88356 Eigenvalues --- 0.91146 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 20 19 18 17 RFO step: Lambda=-8.95840472D-06. DidBck=F Rises=F RFO-DIIS coefs: 1.29223 -0.28050 -0.01819 0.00645 Iteration 1 RMS(Cart)= 0.00829548 RMS(Int)= 0.00001046 Iteration 2 RMS(Cart)= 0.00002292 RMS(Int)= 0.00000066 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000066 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87384 0.00003 -0.00007 0.00013 0.00007 2.87391 R2 2.63970 0.00012 -0.00014 0.00037 0.00023 2.63993 R3 2.76462 -0.00018 -0.00007 -0.00036 -0.00044 2.76418 R4 2.03680 -0.00002 -0.00007 -0.00001 -0.00008 2.03672 R5 2.04669 0.00000 -0.00004 0.00004 0.00001 2.04669 R6 2.05304 -0.00002 -0.00004 -0.00003 -0.00007 2.05297 R7 2.04966 -0.00001 -0.00004 0.00001 -0.00003 2.04963 R8 1.79038 -0.00000 -0.00012 0.00006 -0.00005 1.79032 R9 2.25799 -0.00002 -0.00007 0.00001 -0.00006 2.25793 R10 2.62351 -0.00015 0.00005 -0.00030 -0.00025 2.62326 R11 2.77646 0.00016 -0.00006 0.00060 0.00054 2.77700 R12 2.58208 0.00009 -0.00008 0.00016 0.00007 2.58215 R13 1.88652 0.00005 0.00000 0.00009 0.00009 1.88661 R14 2.26532 -0.00020 -0.00009 -0.00021 -0.00030 2.26502 R15 2.59286 0.00006 0.00018 0.00006 0.00024 2.59310 R16 2.60398 0.00016 -0.00024 0.00046 0.00021 2.60419 R17 2.52613 -0.00000 -0.00009 0.00001 -0.00007 2.52605 R18 2.02106 -0.00007 0.00011 -0.00021 -0.00011 2.02095 R19 2.80995 0.00016 -0.00033 0.00060 0.00028 2.81023 R20 2.63068 -0.00002 -0.00038 -0.00004 -0.00042 2.63026 R21 2.62776 0.00036 0.00026 0.00059 0.00085 2.62861 R22 2.61377 0.00020 0.00025 0.00022 0.00047 2.61425 R23 2.03316 -0.00007 0.00008 -0.00019 -0.00011 2.03304 R24 2.62676 -0.00000 -0.00018 0.00003 -0.00014 2.62662 R25 2.03459 0.00004 0.00008 0.00006 0.00014 2.03472 R26 2.62617 0.00013 0.00035 0.00006 0.00041 2.62657 R27 2.86312 0.00002 0.00012 0.00006 0.00018 2.86330 R28 2.61553 -0.00010 -0.00026 -0.00023 -0.00049 2.61504 R29 2.03348 0.00005 0.00002 0.00011 0.00012 2.03360 R30 2.02741 0.00000 0.00005 -0.00008 -0.00003 2.02738 R31 2.90609 0.00025 -0.00002 0.00082 0.00079 2.90688 R32 2.05407 -0.00004 -0.00009 -0.00005 -0.00014 2.05393 R33 2.05308 -0.00004 0.00000 -0.00013 -0.00012 2.05296 R34 2.89007 0.00009 0.00003 0.00027 0.00031 2.89038 R35 2.05566 -0.00005 0.00002 -0.00018 -0.00016 2.05550 R36 2.05644 -0.00004 -0.00009 -0.00007 -0.00016 2.05628 R37 2.89102 0.00008 -0.00010 0.00028 0.00017 2.89119 R38 2.05339 -0.00010 -0.00004 -0.00027 -0.00031 2.05309 R39 2.05879 -0.00003 -0.00001 -0.00009 -0.00010 2.05870 R40 2.05654 -0.00003 -0.00000 -0.00009 -0.00009 2.05645 R41 2.05617 -0.00005 -0.00002 -0.00012 -0.00015 2.05602 R42 2.88786 0.00005 -0.00003 0.00019 0.00016 2.88802 R43 2.05251 -0.00001 -0.00002 -0.00000 -0.00003 2.05249 R44 2.05314 -0.00001 -0.00003 -0.00000 -0.00003 2.05310 R45 2.05178 0.00000 -0.00004 0.00002 -0.00002 2.05176 A1 1.95402 -0.00005 0.00013 -0.00019 -0.00006 1.95397 A2 1.94853 0.00005 -0.00018 0.00049 0.00030 1.94883 A3 1.92509 -0.00002 0.00016 -0.00056 -0.00040 1.92469 A4 1.84860 0.00005 -0.00027 0.00104 0.00077 1.84938 A5 1.93393 -0.00001 0.00006 -0.00056 -0.00050 1.93343 A6 1.84976 -0.00001 0.00008 -0.00016 -0.00008 1.84968 A7 1.92346 0.00000 -0.00006 -0.00002 -0.00008 1.92338 A8 1.92375 0.00001 -0.00002 0.00008 0.00006 1.92382 A9 1.93032 0.00003 0.00010 0.00015 0.00025 1.93057 A10 1.88587 -0.00000 0.00002 -0.00004 -0.00002 1.88585 A11 1.90742 -0.00002 -0.00004 -0.00018 -0.00022 1.90720 A12 1.89215 -0.00001 0.00000 0.00001 0.00001 1.89216 A13 1.91051 0.00003 0.00011 0.00023 0.00034 1.91085 A14 2.08902 0.00002 0.00020 -0.00019 0.00001 2.08902 A15 2.20753 -0.00009 -0.00009 -0.00011 -0.00020 2.20733 A16 1.98662 0.00007 -0.00011 0.00030 0.00020 1.98682 A17 2.24402 0.00008 0.00012 0.00026 0.00038 2.24440 A18 2.02629 -0.00003 0.00001 -0.00006 -0.00005 2.02624 A19 2.01236 -0.00006 -0.00010 -0.00013 -0.00023 2.01213 A20 2.13604 0.00000 0.00009 0.00003 0.00011 2.13615 A21 1.99508 -0.00009 -0.00019 -0.00027 -0.00046 1.99462 A22 2.15202 0.00009 0.00011 0.00024 0.00034 2.15236 A23 2.05715 0.00004 0.00008 0.00004 0.00013 2.05728 A24 2.10954 -0.00005 -0.00021 -0.00010 -0.00031 2.10923 A25 2.11540 0.00001 0.00017 -0.00001 0.00017 2.11557 A26 2.17319 0.00006 -0.00009 0.00039 0.00030 2.17348 A27 1.99311 -0.00018 -0.00025 -0.00086 -0.00112 1.99199 A28 2.11683 0.00012 0.00035 0.00048 0.00082 2.11766 A29 2.05142 -0.00013 0.00012 -0.00064 -0.00052 2.05090 A30 2.10831 -0.00022 -0.00087 -0.00022 -0.00109 2.10722 A31 2.12338 0.00035 0.00073 0.00087 0.00160 2.12498 A32 2.10210 0.00028 0.00057 0.00067 0.00124 2.10334 A33 2.12075 -0.00017 -0.00079 -0.00009 -0.00089 2.11986 A34 2.06008 -0.00011 0.00018 -0.00050 -0.00032 2.05976 A35 2.11228 -0.00002 -0.00017 0.00002 -0.00015 2.11212 A36 2.08864 0.00009 0.00013 0.00049 0.00063 2.08927 A37 2.08218 -0.00007 0.00004 -0.00053 -0.00048 2.08170 A38 2.11379 0.00009 0.00014 0.00030 0.00044 2.11423 A39 2.07931 0.00002 0.00003 0.00011 0.00014 2.07945 A40 2.09005 -0.00010 -0.00016 -0.00041 -0.00057 2.08948 A41 2.05392 -0.00003 -0.00005 -0.00020 -0.00026 2.05367 A42 2.10815 -0.00023 -0.00032 -0.00069 -0.00101 2.10714 A43 2.12107 0.00026 0.00038 0.00088 0.00126 2.12233 A44 2.12045 -0.00002 -0.00005 -0.00010 -0.00015 2.12029 A45 2.08596 0.00003 0.00005 0.00014 0.00019 2.08615 A46 2.07678 -0.00001 0.00000 -0.00005 -0.00004 2.07674 A47 2.10572 0.00010 -0.00002 0.00046 0.00044 2.10616 A48 2.09128 -0.00006 -0.00010 -0.00018 -0.00028 2.09100 A49 2.08617 -0.00004 0.00011 -0.00026 -0.00015 2.08601 A50 1.99748 -0.00013 -0.00032 -0.00057 -0.00089 1.99659 A51 1.90031 0.00001 -0.00034 -0.00010 -0.00044 1.89986 A52 1.90745 0.00006 0.00020 0.00028 0.00048 1.90793 A53 1.89368 0.00004 0.00001 0.00003 0.00005 1.89373 A54 1.90409 0.00003 0.00048 -0.00002 0.00045 1.90455 A55 1.85554 0.00000 -0.00000 0.00045 0.00044 1.85598 A56 1.99484 0.00018 -0.00003 0.00062 0.00059 1.99542 A57 1.90686 -0.00011 -0.00019 -0.00024 -0.00043 1.90643 A58 1.88714 -0.00002 0.00017 -0.00032 -0.00015 1.88699 A59 1.90935 0.00002 -0.00010 0.00072 0.00062 1.90997 A60 1.90509 -0.00012 -0.00006 -0.00092 -0.00098 1.90411 A61 1.85537 0.00005 0.00022 0.00010 0.00033 1.85570 A62 1.97117 -0.00001 0.00013 -0.00027 -0.00014 1.97103 A63 1.91488 0.00001 -0.00020 0.00033 0.00013 1.91501 A64 1.90631 -0.00001 -0.00008 -0.00018 -0.00027 1.90604 A65 1.90660 -0.00001 -0.00004 -0.00003 -0.00007 1.90652 A66 1.90549 -0.00001 -0.00006 -0.00022 -0.00028 1.90521 A67 1.85582 0.00003 0.00026 0.00041 0.00067 1.85649 A68 1.91020 0.00001 -0.00001 0.00012 0.00011 1.91030 A69 1.90727 -0.00001 0.00007 -0.00014 -0.00007 1.90720 A70 1.97143 -0.00001 -0.00008 -0.00018 -0.00026 1.97118 A71 1.85434 0.00002 0.00012 0.00035 0.00047 1.85481 A72 1.90886 -0.00001 -0.00006 -0.00002 -0.00008 1.90878 A73 1.90806 -0.00000 -0.00003 -0.00009 -0.00012 1.90794 A74 1.93955 0.00000 0.00003 -0.00001 0.00003 1.93958 A75 1.93991 -0.00000 0.00004 -0.00005 -0.00000 1.93990 A76 1.94166 0.00003 -0.00001 0.00014 0.00013 1.94179 A77 1.87899 -0.00000 -0.00004 -0.00004 -0.00008 1.87891 A78 1.88091 -0.00001 -0.00001 -0.00002 -0.00003 1.88087 A79 1.88003 -0.00001 -0.00002 -0.00003 -0.00005 1.87998 D1 -3.12328 -0.00004 0.00053 -0.00154 -0.00101 -3.12429 D2 1.07990 -0.00004 0.00056 -0.00153 -0.00097 1.07893 D3 -1.01225 -0.00005 0.00050 -0.00168 -0.00118 -1.01343 D4 -1.05400 0.00002 0.00016 -0.00002 0.00014 -1.05386 D5 -3.13401 0.00002 0.00019 -0.00000 0.00018 -3.13383 D6 1.05703 0.00001 0.00013 -0.00016 -0.00003 1.05700 D7 0.99776 0.00002 0.00025 -0.00027 -0.00002 0.99774 D8 -1.08225 0.00003 0.00027 -0.00026 0.00002 -1.08223 D9 3.10879 0.00002 0.00022 -0.00041 -0.00020 3.10860 D10 -1.05488 0.00007 0.00055 0.00253 0.00307 -1.05180 D11 3.10070 0.00001 0.00087 0.00136 0.00223 3.10292 D12 1.10231 0.00000 0.00089 0.00125 0.00214 1.10445 D13 1.60099 0.00004 0.00189 0.00222 0.00411 1.60509 D14 -1.49092 0.00007 0.00075 0.00372 0.00448 -1.48644 D15 -2.55107 0.00004 0.00177 0.00294 0.00471 -2.54635 D16 0.64021 0.00007 0.00064 0.00445 0.00509 0.64530 D17 -0.49561 0.00005 0.00175 0.00272 0.00447 -0.49114 D18 2.69567 0.00007 0.00061 0.00423 0.00484 2.70051 D19 3.10808 0.00007 0.00162 0.00228 0.00391 3.11199 D20 0.00293 0.00001 0.00044 -0.00033 0.00011 0.00304 D21 -0.02869 0.00002 0.00053 0.00207 0.00260 -0.02608 D22 -3.13383 -0.00003 -0.00065 -0.00054 -0.00119 -3.13503 D23 -3.11549 -0.00004 -0.00163 -0.00115 -0.00278 -3.11827 D24 0.03940 -0.00005 -0.00048 -0.00159 -0.00208 0.03733 D25 0.02089 0.00001 -0.00045 -0.00092 -0.00137 0.01952 D26 -3.10740 0.00000 0.00070 -0.00136 -0.00067 -3.10807 D27 -3.09855 -0.00001 -0.00112 -0.00085 -0.00197 -3.10052 D28 0.03292 -0.00004 -0.00068 -0.00171 -0.00239 0.03053 D29 0.00684 0.00005 0.00006 0.00175 0.00180 0.00865 D30 3.13831 0.00002 0.00050 0.00089 0.00138 3.13969 D31 -3.12126 0.00005 -0.00038 0.00170 0.00132 -3.11995 D32 -0.02953 0.00002 0.00074 0.00018 0.00093 -0.02860 D33 0.01010 0.00002 0.00006 0.00083 0.00089 0.01099 D34 3.10183 -0.00001 0.00119 -0.00069 0.00050 3.10233 D35 3.11816 -0.00001 0.00037 -0.00076 -0.00039 3.11777 D36 -0.03483 -0.00000 0.00029 -0.00047 -0.00018 -0.03502 D37 0.02792 0.00002 -0.00080 0.00080 -0.00000 0.02792 D38 -3.12507 0.00002 -0.00088 0.00109 0.00020 -3.12487 D39 -0.02261 -0.00003 0.00062 -0.00036 0.00026 -0.02235 D40 3.10556 -0.00003 -0.00055 0.00007 -0.00047 3.10509 D41 3.13115 -0.00003 0.00071 -0.00067 0.00005 3.13120 D42 -0.02387 -0.00003 -0.00045 -0.00023 -0.00068 -0.02455 D43 2.36414 0.00000 0.00006 0.00278 0.00284 2.36697 D44 -0.80257 0.00004 -0.00212 0.00646 0.00434 -0.79823 D45 -0.76360 -0.00000 0.00126 0.00233 0.00359 -0.76001 D46 2.35288 0.00003 -0.00092 0.00601 0.00509 2.35797 D47 3.09862 0.00001 -0.00085 0.00177 0.00092 3.09953 D48 -0.05752 -0.00001 -0.00019 0.00063 0.00044 -0.05708 D49 -0.01872 -0.00002 0.00127 -0.00179 -0.00053 -0.01925 D50 3.10833 -0.00004 0.00192 -0.00293 -0.00101 3.10732 D51 -3.10465 -0.00000 0.00051 -0.00078 -0.00027 -3.10492 D52 0.04426 -0.00004 0.00152 -0.00286 -0.00134 0.04292 D53 0.01241 0.00003 -0.00161 0.00283 0.00122 0.01363 D54 -3.12186 0.00000 -0.00060 0.00075 0.00015 -3.12171 D55 0.01549 -0.00000 0.00019 -0.00063 -0.00044 0.01506 D56 -3.13498 -0.00000 0.00051 -0.00034 0.00017 -3.13481 D57 -3.11161 0.00001 -0.00046 0.00050 0.00003 -3.11158 D58 0.02111 0.00002 -0.00015 0.00078 0.00063 0.02174 D59 -0.00530 0.00001 -0.00129 0.00200 0.00071 -0.00459 D60 3.12673 -0.00001 -0.00040 0.00029 -0.00011 3.12662 D61 -3.13796 0.00001 -0.00161 0.00171 0.00010 -3.13786 D62 -0.00593 -0.00001 -0.00072 0.00000 -0.00071 -0.00665 D63 -0.00099 0.00000 0.00094 -0.00095 -0.00001 -0.00101 D64 -3.14121 0.00002 0.00097 0.00027 0.00125 -3.13997 D65 -3.13294 0.00002 0.00005 0.00077 0.00082 -3.13212 D66 0.01002 0.00005 0.00008 0.00200 0.00208 0.01210 D67 -1.30991 0.00003 0.00345 0.00113 0.00458 -1.30533 D68 0.81224 -0.00001 0.00299 0.00071 0.00370 0.81594 D69 2.83221 0.00003 0.00290 0.00135 0.00425 2.83646 D70 1.82174 0.00000 0.00437 -0.00064 0.00373 1.82547 D71 -2.33929 -0.00003 0.00391 -0.00106 0.00285 -2.33644 D72 -0.31932 0.00001 0.00382 -0.00043 0.00340 -0.31593 D73 -0.00276 -0.00003 0.00052 -0.00149 -0.00096 -0.00372 D74 3.13153 0.00001 -0.00048 0.00059 0.00010 3.13163 D75 3.13747 -0.00005 0.00049 -0.00270 -0.00222 3.13525 D76 -0.01143 -0.00001 -0.00052 -0.00063 -0.00115 -0.01258 D77 -1.15367 -0.00005 0.00089 0.00051 0.00139 -1.15228 D78 0.99193 0.00002 0.00060 0.00170 0.00229 0.99423 D79 3.00418 0.00000 0.00085 0.00152 0.00237 3.00655 D80 3.00373 -0.00000 0.00154 0.00099 0.00253 3.00627 D81 -1.13385 0.00007 0.00125 0.00218 0.00343 -1.13042 D82 0.87840 0.00005 0.00151 0.00201 0.00351 0.88191 D83 0.98921 -0.00004 0.00128 0.00046 0.00174 0.99095 D84 3.13482 0.00003 0.00099 0.00165 0.00264 3.13745 D85 -1.13612 0.00001 0.00125 0.00147 0.00272 -1.13340 D86 -3.11845 0.00001 -0.00129 0.00112 -0.00018 -3.11862 D87 1.03327 0.00002 -0.00119 0.00111 -0.00009 1.03318 D88 -0.99455 -0.00002 -0.00135 0.00053 -0.00082 -0.99536 D89 1.02048 0.00001 -0.00095 0.00044 -0.00051 1.01998 D90 -1.11099 0.00002 -0.00085 0.00043 -0.00042 -1.11140 D91 -3.13880 -0.00002 -0.00100 -0.00014 -0.00115 -3.13995 D92 -1.00300 0.00001 -0.00113 0.00044 -0.00070 -1.00369 D93 -3.13447 0.00002 -0.00103 0.00043 -0.00060 -3.13507 D94 1.12090 -0.00002 -0.00118 -0.00015 -0.00133 1.11957 D95 1.00800 -0.00000 -0.00007 -0.00106 -0.00112 1.00688 D96 -1.01595 -0.00003 -0.00024 -0.00146 -0.00171 -1.01765 D97 3.13919 -0.00001 -0.00020 -0.00113 -0.00133 3.13786 D98 -3.13907 0.00000 -0.00026 -0.00085 -0.00110 -3.14017 D99 1.12017 -0.00002 -0.00043 -0.00125 -0.00168 1.11848 D100 -1.00788 -0.00001 -0.00039 -0.00091 -0.00131 -1.00919 D101 -1.11636 0.00002 -0.00000 -0.00049 -0.00050 -1.11685 D102 -3.14030 -0.00000 -0.00018 -0.00089 -0.00108 -3.14138 D103 1.01483 0.00001 -0.00014 -0.00056 -0.00070 1.01413 D104 1.04355 -0.00001 0.00007 -0.00036 -0.00028 1.04326 D105 -1.04874 -0.00000 0.00008 -0.00028 -0.00020 -1.04894 D106 3.13943 -0.00001 0.00008 -0.00030 -0.00022 3.13921 D107 -3.10771 -0.00001 -0.00003 -0.00035 -0.00038 -3.10809 D108 1.08319 -0.00000 -0.00003 -0.00026 -0.00029 1.08290 D109 -1.01182 -0.00001 -0.00003 -0.00029 -0.00032 -1.01214 D110 -1.08406 0.00001 0.00006 0.00000 0.00007 -1.08399 D111 3.10683 0.00002 0.00007 0.00009 0.00015 3.10699 D112 1.01182 0.00001 0.00007 0.00006 0.00013 1.01195 Item Value Threshold Converged? Maximum Force 0.000363 0.000450 YES RMS Force 0.000074 0.000300 YES Maximum Displacement 0.029790 0.001800 NO RMS Displacement 0.008300 0.001200 NO Predicted change in Energy=-4.480432D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.019362 -4.622312 2.467172 2 6 0 7.191366 -3.456528 3.428532 3 8 0 6.758279 -5.819061 3.138895 4 8 0 2.847217 -3.682481 -0.918340 5 6 0 3.705168 -3.940578 -0.127791 6 7 0 5.026140 -3.630520 -0.420888 7 6 0 6.136666 -3.813105 0.354022 8 8 0 7.228547 -3.464250 0.003687 9 7 0 5.888911 -4.413873 1.562598 10 6 0 4.608749 -4.756281 1.940803 11 6 0 3.521176 -4.574400 1.185191 12 1 0 7.889008 -4.718940 1.837881 13 1 0 7.374855 -2.541904 2.878241 14 1 0 8.040510 -3.631658 4.083147 15 1 0 5.189106 -3.192852 -1.303265 16 1 0 4.543958 -5.202880 2.910370 17 6 0 2.172730 -5.009296 1.636911 18 1 0 6.305433 -3.333621 4.042058 19 1 0 7.480887 -6.020857 3.717411 20 6 0 1.996262 -6.250410 2.241732 21 6 0 0.755955 -6.645069 2.710427 22 6 0 -0.357397 -5.823707 2.577138 23 6 0 -0.179447 -4.590240 1.961686 24 6 0 1.059820 -4.186729 1.496550 25 1 0 2.831979 -6.921373 2.335639 26 1 0 0.654952 -7.609213 3.179014 27 6 0 -1.715451 -6.273262 3.076535 28 1 0 -1.020947 -3.929833 1.844183 29 1 0 1.159536 -3.231691 1.018059 30 6 0 -2.399822 -7.329631 2.192254 31 6 0 -2.791989 -6.828779 0.801285 32 1 0 -1.604090 -6.681267 4.077769 33 1 0 -2.368145 -5.409771 3.169221 34 1 0 -1.745924 -8.193384 2.094822 35 1 0 -3.291452 -7.677868 2.709722 36 6 0 -3.498195 -7.894664 -0.038906 37 1 0 -1.907437 -6.484438 0.272739 38 1 0 -3.445293 -5.962955 0.903119 39 1 0 -4.385825 -8.241113 0.486761 40 1 0 -2.847332 -8.760443 -0.141608 41 6 0 -3.894771 -7.392841 -1.426900 42 1 0 -3.023909 -7.070612 -1.990321 43 1 0 -4.574314 -6.547871 -1.358837 44 1 0 -4.390832 -8.170436 -1.999712 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520806 0.000000 3 O 1.396991 2.419301 0.000000 4 O 5.454518 6.149633 6.026818 0.000000 5 C 4.264092 5.003531 4.849889 1.194848 0.000000 6 N 3.646570 4.420013 4.523502 2.235590 1.388168 7 C 2.428862 3.269885 3.487947 3.529369 2.482051 8 O 2.730132 3.425055 3.949153 4.482612 3.557861 9 N 1.462744 2.468726 2.283652 3.992730 2.801814 10 C 2.471046 3.251555 2.680560 3.525726 2.400191 11 C 3.726001 4.444381 3.980575 2.382138 1.469526 12 H 1.077788 2.147220 2.044859 5.838720 4.687668 13 H 2.150220 1.083063 3.344826 6.017844 4.945616 14 H 2.153024 1.086387 2.705634 7.210253 6.051662 15 H 4.428249 5.144752 5.393706 2.423293 2.035413 16 H 2.580913 3.213566 2.309788 4.455285 3.395202 17 C 4.932437 5.550469 4.892743 2.957141 2.569961 18 H 2.156545 1.084619 2.682944 6.056939 4.951506 19 H 1.931847 2.596739 0.947399 6.959101 5.776608 20 C 5.285174 6.016924 4.864953 4.159860 3.724288 21 C 6.586425 7.217825 6.074024 5.130132 4.905876 22 C 7.474759 7.956899 7.137818 5.203150 5.231372 23 C 7.216606 7.600384 7.143379 4.275427 4.458498 24 C 6.053757 6.470054 6.150954 3.046432 3.113991 25 H 4.778824 5.674841 4.156458 4.591190 3.964352 26 H 7.066400 7.748017 6.360570 6.083877 5.804969 27 C 8.910327 9.348224 8.486124 6.594628 6.715075 28 H 8.094085 8.377128 8.109366 4.759770 5.121031 29 H 6.194459 6.499532 6.522143 2.607896 2.880232 30 C 9.804396 10.417303 9.329993 7.106963 7.357934 31 C 10.193444 10.860106 9.883905 6.682586 7.170631 32 H 9.010951 9.390447 8.458966 7.332663 7.306595 33 H 9.446600 9.760464 9.135648 6.847751 7.064980 34 H 9.472140 10.202536 8.890949 7.108047 7.262284 35 H 10.756772 11.323687 10.229196 8.173690 8.424459 36 C 11.296359 12.082504 10.936262 7.666821 8.217733 37 H 9.379275 10.095320 9.151624 5.645916 6.175191 38 H 10.665486 11.215989 10.446640 6.936422 7.502125 39 H 12.128316 12.867698 11.708596 8.664429 9.183488 40 H 11.012789 11.901802 10.567933 7.669218 8.134282 41 C 11.914610 12.726831 11.696612 7.712315 8.447773 42 H 11.257473 12.115173 11.116044 6.862848 7.651575 43 H 12.359589 13.073123 12.214271 7.967661 8.767170 44 H 12.756754 13.632098 12.499477 8.584897 9.324216 6 7 8 9 10 6 N 0.000000 7 C 1.366415 0.000000 8 O 2.249112 1.198598 0.000000 9 N 2.300486 1.372210 2.264202 0.000000 10 C 2.649366 2.396244 3.505011 1.378078 0.000000 11 C 2.394852 2.848017 4.046355 2.402994 1.336730 12 H 3.805615 2.468416 2.318345 2.041870 3.282086 13 H 4.193543 3.085570 3.022447 2.728225 3.665188 14 H 5.419664 4.190932 4.162847 3.405055 4.198975 15 H 0.998349 2.007283 2.437437 3.192772 3.647617 16 H 3.715117 3.317093 4.321881 2.061048 1.069442 17 C 3.778560 4.334682 5.533161 3.764314 2.467905 18 H 4.652163 3.722901 4.144591 2.736449 3.052535 19 H 5.372617 4.241872 4.515712 3.124100 3.606198 20 C 4.809732 5.162058 6.336271 4.357386 3.024577 21 C 6.093203 6.521098 7.703148 5.713405 4.359342 22 C 6.540696 7.152455 8.350822 6.483309 5.119270 23 C 5.804813 6.563673 7.744674 6.084024 4.791119 24 C 4.440454 5.217215 6.387785 4.834881 3.621691 25 H 4.821047 4.950665 6.059662 4.028645 2.828502 26 H 6.920735 7.241561 8.394972 6.341713 5.030397 27 C 8.041462 8.667191 9.865498 7.973435 6.602017 28 H 6.464317 7.312020 8.465125 6.932513 5.690855 29 H 4.144908 5.054781 6.157591 4.905209 3.882384 30 C 8.698094 9.413643 10.603607 8.809155 7.470303 31 C 8.534970 9.434788 10.600347 9.042644 7.769471 32 H 8.573501 9.056044 10.245135 8.222665 6.846280 33 H 8.410117 9.099808 10.290877 8.470657 7.114289 34 H 8.544552 9.184359 10.357542 8.535730 7.226290 35 H 9.765454 10.458257 11.651076 9.810639 8.458137 36 C 9.539032 10.471106 11.605748 10.138959 8.915786 37 H 7.529971 8.476451 9.626013 8.169090 6.944756 38 H 8.885855 9.835512 10.999243 9.484827 8.209777 39 H 10.519814 11.416992 12.567634 11.017051 9.755032 40 H 9.401365 10.268107 11.383941 9.905501 8.715669 41 C 9.733949 10.798885 11.883122 10.655130 9.518546 42 H 8.893854 10.001171 11.049650 9.955896 8.891981 43 H 10.077669 11.186506 12.274881 11.071035 9.920991 44 H 10.572743 11.634200 12.695344 11.509776 10.400797 11 12 13 14 15 11 C 0.000000 12 H 4.418694 0.000000 13 H 4.674217 2.467019 0.000000 14 H 5.450807 2.499270 1.755693 0.000000 15 H 3.298952 4.414206 4.763006 6.110359 0.000000 16 H 2.101740 3.545954 3.885332 4.008743 4.712870 17 C 1.487109 5.727175 5.889910 6.504829 4.587225 18 H 4.177716 3.047165 1.767753 1.760968 5.462461 19 H 4.917692 2.322538 3.580301 2.480969 6.201375 20 C 2.500129 6.101881 6.564101 6.839708 5.666561 21 C 3.776303 7.439876 7.789350 8.001859 6.905097 22 C 4.305997 8.352856 8.405273 8.808971 7.262412 23 C 3.781244 8.070431 7.880561 8.543252 6.436922 24 C 2.511076 6.858393 6.670396 7.465160 5.087019 25 H 2.703110 5.538232 6.333394 6.403498 5.718351 26 H 4.626084 7.904674 8.421709 8.437112 7.755877 27 C 5.821132 9.807947 9.828328 10.157269 8.737534 28 H 4.634719 8.944833 8.572347 9.338730 7.001024 29 H 2.721790 6.940447 6.524284 7.543377 4.650537 30 C 6.607850 10.620796 10.905834 11.236147 9.323274 31 C 6.714585 10.936620 11.227456 11.761600 9.019256 32 H 6.250939 9.949207 9.959651 10.115258 9.341953 33 H 6.270432 10.366238 10.160482 10.598917 9.057037 34 H 6.454983 10.245472 10.758326 10.978937 9.200378 35 H 7.639869 11.598192 11.839622 12.110800 10.399005 36 C 7.860924 11.969793 12.465353 12.973290 9.958657 37 H 5.826718 10.076556 10.416005 11.028110 7.979928 38 H 7.109102 11.440617 11.518694 12.143771 9.332441 39 H 8.743755 12.841447 13.285848 13.732985 10.971256 40 H 7.735712 11.641354 12.340293 12.755316 9.845398 41 C 8.352418 12.516628 13.002703 13.673260 10.008597 42 H 7.691104 11.801578 12.342868 13.081849 9.108385 43 H 8.712268 12.996091 13.295986 14.044688 10.323934 44 H 9.256076 13.320451 13.925021 14.565024 10.818346 16 17 18 19 20 16 H 0.000000 17 C 2.698499 0.000000 18 H 2.806714 5.066740 0.000000 19 H 3.153721 5.790360 2.950987 0.000000 20 C 2.834634 1.391873 5.506159 5.684315 0.000000 21 C 4.058184 2.415666 6.598154 6.828497 1.383399 22 C 4.951742 2.819367 7.262219 7.923244 2.415426 23 C 4.856530 2.411187 6.925367 7.988113 2.751054 24 C 3.894953 1.391002 5.892695 7.037496 2.385581 25 H 2.492870 2.139829 5.277187 4.932805 1.075841 26 H 4.581154 3.382498 7.138169 7.028950 2.126959 27 C 6.352443 4.334522 8.596994 9.222097 3.804502 28 H 5.807372 3.377540 7.672155 8.953354 3.827097 29 H 4.349797 2.137620 5.969524 7.417913 3.363056 30 C 7.297591 5.157576 9.755580 10.083026 4.526889 31 C 7.804352 5.353244 10.270435 10.709272 5.033562 32 H 6.430158 4.797670 8.588862 9.116074 4.064382 33 H 6.920041 4.809147 8.961205 9.883186 4.540370 34 H 7.012193 5.069906 9.603821 9.617001 4.219086 35 H 8.219457 6.174907 10.618277 10.945521 5.496960 36 C 8.978873 6.579749 11.557184 11.754205 6.172029 37 H 7.086606 4.548051 9.570091 10.011059 4.378421 38 H 8.272539 5.745441 10.575584 11.282952 5.611152 39 H 9.738879 7.401495 12.289289 12.497420 6.911864 40 H 8.752256 6.514235 11.433572 11.360875 5.953233 41 C 9.737555 7.202971 12.265028 12.559931 7.033369 42 H 9.207486 6.664149 11.721404 12.001289 6.617032 43 H 10.157658 7.540843 12.564631 13.090986 7.498336 44 H 10.618181 8.142369 13.202570 13.350802 7.903880 21 22 23 24 25 21 C 0.000000 22 C 1.389948 0.000000 23 C 2.378637 1.389923 0.000000 24 C 2.758490 2.419891 1.383819 0.000000 25 H 2.127601 3.381614 3.826579 3.364951 0.000000 26 H 1.076730 2.138957 3.360403 3.835101 2.433896 27 C 2.525891 1.515193 2.536683 3.814722 4.652752 28 H 3.358611 2.136417 1.076135 2.125191 4.902640 29 H 3.831206 3.383837 2.128136 1.072844 4.259910 30 C 3.270482 2.566602 3.533764 4.725565 5.249665 31 C 4.033172 3.176643 3.630835 4.722315 5.830252 32 H 2.727773 2.131090 3.298455 4.470104 4.771936 33 H 3.390642 2.136589 2.630622 4.005572 5.479150 34 H 3.005935 2.788549 3.931186 4.927821 4.757437 35 H 4.177102 3.473352 4.447199 5.709064 6.181313 36 C 5.217098 4.582266 5.092708 6.073048 6.830583 37 H 3.614109 2.854723 3.070257 3.947379 5.187344 38 H 4.624081 3.515228 3.697386 4.878851 6.509595 39 H 5.824942 5.142156 5.761762 6.863874 7.566820 40 H 5.058912 4.713362 5.378852 6.234442 6.463243 41 C 6.269440 5.568439 5.756798 6.585871 7.721926 42 H 6.046940 5.433851 5.464574 6.095236 7.282007 43 H 6.706722 5.813665 5.845772 6.743271 8.285037 44 H 7.141538 6.536306 6.800459 7.602854 8.516128 26 27 28 29 30 26 H 0.000000 27 C 2.722881 0.000000 28 H 4.257728 2.737277 0.000000 29 H 4.907853 4.664121 2.434007 0.000000 30 C 3.222345 1.538256 3.685251 5.553456 0.000000 31 C 4.259586 2.577653 3.553606 5.347951 1.529523 32 H 2.602328 1.086894 3.591566 5.375781 2.146796 33 H 3.738550 1.086378 2.400184 4.670767 2.154375 34 H 2.698321 2.156747 4.332006 5.849745 1.087725 35 H 3.974803 2.142720 4.466779 6.514715 1.088139 36 C 5.261666 3.938666 5.040106 6.674950 2.550247 37 H 4.034525 2.818284 3.127508 4.532349 2.154375 38 H 4.970098 2.795063 3.301006 5.355134 2.150042 39 H 5.749519 4.208356 5.634903 7.491837 2.771952 40 H 4.961639 4.221808 5.532977 6.925815 2.773878 41 C 6.477750 5.126774 5.563386 6.988491 3.916266 42 H 6.367585 5.293473 5.346004 6.425642 4.236804 43 H 7.004553 5.284035 5.453428 7.037309 4.236721 44 H 7.252180 6.043609 6.641865 8.019023 4.716318 31 32 33 34 35 31 C 0.000000 32 H 3.488296 0.000000 33 H 2.792910 1.739523 0.000000 34 H 2.151659 2.497738 3.047950 0.000000 35 H 2.147684 2.389970 2.491566 1.741412 0.000000 36 C 1.529954 4.691160 4.212338 2.777136 2.764905 37 H 1.086446 3.822174 3.123583 2.503312 3.046089 38 H 1.089416 3.739573 2.569335 3.046773 2.495678 39 H 2.152655 4.802761 4.391256 3.091475 2.540955 40 H 2.150218 4.865364 4.734788 2.556614 3.082093 41 C 2.549334 6.004576 5.233305 4.202492 4.190092 42 H 2.811643 6.244133 5.459789 4.425185 4.746656 43 H 2.814555 6.196507 5.163890 4.757653 4.413139 44 H 3.493126 6.849769 6.199226 4.874554 4.861073 36 37 38 39 40 36 C 0.000000 37 H 2.148574 0.000000 38 H 2.149816 1.741931 0.000000 39 H 1.088228 3.045344 2.499592 0.000000 40 H 1.088000 2.497055 3.045480 1.741124 0.000000 41 C 1.528275 2.768296 2.770486 2.150069 2.149287 42 H 2.170721 2.590666 3.126733 3.059547 2.510866 43 H 2.171198 3.127027 2.594852 2.511737 3.059344 44 H 2.172006 3.764821 3.767419 2.487482 2.486574 41 42 43 44 41 C 0.000000 42 H 1.086129 0.000000 43 H 1.086456 1.753792 0.000000 44 H 1.085746 1.754475 1.754168 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.789176 -0.968207 0.547420 2 6 0 -5.375006 -1.503663 -0.749861 3 8 0 -4.235558 -1.984916 1.329338 4 8 0 -0.839107 2.641885 -0.508966 5 6 0 -1.639333 1.789263 -0.263338 6 7 0 -2.965853 2.134072 -0.043198 7 6 0 -4.027680 1.314433 0.217196 8 8 0 -5.143422 1.731650 0.350192 9 7 0 -3.706090 -0.017072 0.298649 10 6 0 -2.415315 -0.453869 0.093209 11 6 0 -1.376603 0.346721 -0.165594 12 1 0 -5.539001 -0.426085 1.100136 13 1 0 -5.779996 -0.691321 -1.340716 14 1 0 -6.181111 -2.200621 -0.538482 15 1 0 -3.183315 3.106337 -0.107319 16 1 0 -2.295319 -1.513925 0.167977 17 6 0 0.001051 -0.187881 -0.332211 18 1 0 -4.616311 -2.021952 -1.326193 19 1 0 -4.907452 -2.615406 1.549807 20 6 0 0.492585 -1.157812 0.536662 21 6 0 1.754047 -1.698114 0.361793 22 6 0 2.578346 -1.278069 -0.675535 23 6 0 2.088506 -0.300600 -1.533730 24 6 0 0.825116 0.239231 -1.368250 25 1 0 -0.109444 -1.484945 1.366107 26 1 0 2.101660 -2.451299 1.048251 27 6 0 3.965832 -1.862270 -0.847002 28 1 0 2.701010 0.045568 -2.348023 29 1 0 0.482211 0.998862 -2.043802 30 6 0 5.000464 -1.351479 0.170279 31 6 0 5.331542 0.136043 0.039492 32 1 0 3.904290 -2.944145 -0.762754 33 1 0 4.321874 -1.653730 -1.851971 34 1 0 4.643721 -1.555646 1.177351 35 1 0 5.912609 -1.931533 0.045472 36 6 0 6.386379 0.602599 1.044680 37 1 0 4.428149 0.725487 0.169120 38 1 0 5.686761 0.336705 -0.970647 39 1 0 7.293551 0.015273 0.916909 40 1 0 6.033535 0.402835 2.054303 41 6 0 6.721131 2.087733 0.910728 42 1 0 5.840055 2.703329 1.067013 43 1 0 7.110145 2.314222 -0.078087 44 1 0 7.469360 2.389671 1.637248 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6069390 0.1064772 0.0967552 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.6557404356 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.83D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000102 0.000045 -0.000079 Ang= 0.02 deg. ExpMin= 1.61D-01 ExpMax= 5.48D+03 ExpMxC= 8.25D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -990.116175476 A.U. after 10 cycles NFock= 10 Conv=0.91D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000070274 0.000078604 -0.000103094 2 6 -0.000011417 -0.000048259 0.000048929 3 8 -0.000100443 -0.000085864 -0.000079071 4 8 -0.000012347 0.000031122 -0.000020248 5 6 0.000191773 -0.000055386 -0.000128548 6 7 -0.000178569 0.000131262 0.000045414 7 6 0.000116497 -0.000116240 0.000036561 8 8 -0.000036962 0.000023295 -0.000040061 9 7 0.000274358 -0.000117417 0.000021533 10 6 -0.000149159 0.000084416 0.000045109 11 6 -0.000039882 -0.000053704 0.000108922 12 1 -0.000001479 0.000061369 0.000000923 13 1 -0.000001921 0.000019267 -0.000000008 14 1 -0.000000971 0.000000984 -0.000000426 15 1 0.000000013 -0.000028061 -0.000022185 16 1 0.000012129 -0.000001055 0.000015836 17 6 0.000088801 -0.000003042 -0.000067649 18 1 -0.000002379 0.000021860 0.000015590 19 1 0.000008131 0.000044240 0.000030671 20 6 0.000051558 -0.000002642 0.000013932 21 6 -0.000032115 -0.000013720 0.000066899 22 6 -0.000013819 -0.000012638 -0.000016071 23 6 -0.000021392 -0.000006099 0.000029978 24 6 -0.000062424 0.000067232 0.000024129 25 1 -0.000029934 -0.000009795 -0.000003313 26 1 0.000009040 0.000006154 -0.000015970 27 6 0.000070777 0.000027390 0.000039484 28 1 -0.000008118 -0.000008572 -0.000024906 29 1 -0.000007070 -0.000015569 0.000019810 30 6 -0.000015475 -0.000014259 -0.000061566 31 6 0.000044555 0.000055921 0.000033305 32 1 -0.000010915 -0.000026384 -0.000010771 33 1 -0.000016521 -0.000013157 -0.000020173 34 1 -0.000006744 0.000013069 0.000017288 35 1 -0.000017951 0.000001457 0.000019250 36 6 -0.000024603 -0.000050939 0.000008394 37 1 -0.000011761 0.000005396 -0.000017427 38 1 0.000011807 -0.000001174 0.000004793 39 1 0.000005628 0.000005007 -0.000004999 40 1 0.000004759 0.000004974 0.000001703 41 6 -0.000003232 0.000004290 -0.000010302 42 1 0.000003784 -0.000001391 0.000001622 43 1 -0.000003043 0.000001259 0.000003890 44 1 -0.000002690 -0.000003204 -0.000007178 ------------------------------------------------------------------- Cartesian Forces: Max 0.000274358 RMS 0.000054911 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000206313 RMS 0.000033131 Search for a local minimum. Step number 21 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 20 21 DE= -4.96D-06 DEPred=-4.48D-06 R= 1.11D+00 TightC=F SS= 1.41D+00 RLast= 2.20D-02 DXNew= 1.3131D+00 6.6000D-02 Trust test= 1.11D+00 RLast= 2.20D-02 DXMaxT set to 7.81D-01 ITU= 1 1 1 1 1 1 1 0 0 -1 -1 1 -1 1 1 1 1 0 1 1 ITU= 0 Eigenvalues --- 0.00230 0.00238 0.00267 0.00289 0.00300 Eigenvalues --- 0.00357 0.00681 0.01047 0.01467 0.01491 Eigenvalues --- 0.01538 0.01561 0.01730 0.01802 0.01879 Eigenvalues --- 0.02004 0.02067 0.02142 0.02149 0.02301 Eigenvalues --- 0.02383 0.02440 0.02478 0.02531 0.02617 Eigenvalues --- 0.03415 0.03433 0.03586 0.04331 0.04699 Eigenvalues --- 0.04763 0.04796 0.05178 0.05337 0.05430 Eigenvalues --- 0.05452 0.05513 0.05596 0.05800 0.05979 Eigenvalues --- 0.06187 0.08356 0.08365 0.08612 0.08682 Eigenvalues --- 0.09768 0.12211 0.12248 0.12302 0.13070 Eigenvalues --- 0.14337 0.15790 0.15964 0.15978 0.16000 Eigenvalues --- 0.16000 0.16008 0.16010 0.16035 0.16073 Eigenvalues --- 0.16132 0.16227 0.16359 0.18343 0.20201 Eigenvalues --- 0.20483 0.21576 0.21773 0.21975 0.22116 Eigenvalues --- 0.22646 0.23026 0.23477 0.23893 0.24384 Eigenvalues --- 0.24691 0.25036 0.25106 0.25403 0.26897 Eigenvalues --- 0.28066 0.28292 0.28911 0.29174 0.29595 Eigenvalues --- 0.31189 0.31647 0.32417 0.33141 0.33537 Eigenvalues --- 0.33563 0.33672 0.33693 0.33703 0.33716 Eigenvalues --- 0.33739 0.33746 0.33767 0.33784 0.33788 Eigenvalues --- 0.33867 0.33972 0.34140 0.34766 0.35019 Eigenvalues --- 0.37475 0.37820 0.38124 0.38367 0.39098 Eigenvalues --- 0.40613 0.43105 0.43887 0.45067 0.48963 Eigenvalues --- 0.50298 0.51432 0.51955 0.52580 0.54751 Eigenvalues --- 0.55944 0.56883 0.56984 0.60194 0.88426 Eigenvalues --- 0.91207 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 21 20 19 18 17 RFO step: Lambda=-2.43989719D-06. DidBck=F Rises=F RFO-DIIS coefs: 1.17741 -0.04824 -0.10290 -0.06822 0.04194 Iteration 1 RMS(Cart)= 0.00191683 RMS(Int)= 0.00000257 Iteration 2 RMS(Cart)= 0.00000206 RMS(Int)= 0.00000213 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000213 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87391 0.00003 -0.00001 0.00007 0.00006 2.87397 R2 2.63993 0.00003 -0.00002 0.00010 0.00008 2.64002 R3 2.76418 -0.00021 -0.00015 -0.00035 -0.00051 2.76368 R4 2.03672 -0.00001 -0.00007 0.00001 -0.00006 2.03667 R5 2.04669 0.00002 -0.00004 0.00006 0.00002 2.04671 R6 2.05297 -0.00000 -0.00005 0.00000 -0.00004 2.05293 R7 2.04963 0.00001 -0.00005 0.00005 0.00000 2.04964 R8 1.79032 0.00002 -0.00010 0.00003 -0.00007 1.79026 R9 2.25793 0.00003 -0.00004 0.00002 -0.00003 2.25791 R10 2.62326 -0.00009 -0.00007 -0.00014 -0.00021 2.62305 R11 2.77700 0.00011 0.00009 0.00016 0.00025 2.77725 R12 2.58215 0.00009 -0.00001 0.00016 0.00015 2.58230 R13 1.88661 0.00001 0.00003 -0.00000 0.00003 1.88664 R14 2.26502 -0.00002 -0.00012 -0.00001 -0.00013 2.26489 R15 2.59310 0.00001 0.00014 -0.00008 0.00006 2.59316 R16 2.60419 0.00009 -0.00009 0.00026 0.00017 2.60436 R17 2.52605 -0.00006 -0.00004 -0.00010 -0.00014 2.52592 R18 2.02095 0.00001 0.00007 -0.00003 0.00004 2.02100 R19 2.81023 0.00000 -0.00022 0.00008 -0.00015 2.81008 R20 2.63026 0.00004 -0.00031 0.00015 -0.00016 2.63010 R21 2.62861 0.00009 0.00047 -0.00016 0.00031 2.62893 R22 2.61425 0.00003 0.00034 -0.00014 0.00020 2.61444 R23 2.03304 -0.00002 0.00008 -0.00011 -0.00003 2.03301 R24 2.62662 -0.00001 -0.00021 0.00006 -0.00014 2.62648 R25 2.03472 -0.00001 0.00011 -0.00009 0.00001 2.03474 R26 2.62657 -0.00000 0.00043 -0.00026 0.00017 2.62675 R27 2.86330 -0.00003 0.00011 -0.00013 -0.00002 2.86328 R28 2.61504 0.00002 -0.00028 0.00007 -0.00021 2.61483 R29 2.03360 0.00000 0.00004 -0.00002 0.00002 2.03362 R30 2.02738 -0.00002 -0.00000 0.00001 0.00001 2.02739 R31 2.90688 -0.00000 0.00024 -0.00007 0.00017 2.90705 R32 2.05393 -0.00000 -0.00016 0.00007 -0.00009 2.05384 R33 2.05296 -0.00000 -0.00002 -0.00001 -0.00003 2.05293 R34 2.89038 -0.00001 0.00008 -0.00008 -0.00001 2.89037 R35 2.05550 -0.00002 -0.00002 -0.00005 -0.00007 2.05543 R36 2.05628 0.00002 -0.00009 0.00009 -0.00000 2.05628 R37 2.89119 0.00004 0.00001 0.00009 0.00010 2.89129 R38 2.05309 0.00000 -0.00013 0.00003 -0.00009 2.05299 R39 2.05870 -0.00001 -0.00003 -0.00001 -0.00004 2.05865 R40 2.05645 -0.00001 -0.00004 -0.00001 -0.00005 2.05640 R41 2.05602 -0.00000 -0.00007 0.00001 -0.00005 2.05597 R42 2.88802 0.00001 0.00003 -0.00001 0.00003 2.88805 R43 2.05249 0.00000 -0.00004 0.00002 -0.00002 2.05247 R44 2.05310 0.00000 -0.00004 0.00002 -0.00001 2.05309 R45 2.05176 0.00001 -0.00004 0.00002 -0.00001 2.05175 A1 1.95397 0.00001 0.00003 -0.00008 -0.00005 1.95392 A2 1.94883 0.00007 0.00012 0.00007 0.00019 1.94902 A3 1.92469 -0.00003 -0.00012 0.00014 0.00003 1.92472 A4 1.84938 -0.00010 0.00012 -0.00061 -0.00049 1.84889 A5 1.93343 0.00004 -0.00028 0.00044 0.00016 1.93360 A6 1.84968 0.00001 0.00014 0.00002 0.00016 1.84984 A7 1.92338 0.00001 -0.00004 0.00006 0.00001 1.92339 A8 1.92382 -0.00001 0.00002 -0.00010 -0.00008 1.92374 A9 1.93057 0.00003 0.00006 0.00019 0.00025 1.93082 A10 1.88585 -0.00000 0.00001 -0.00005 -0.00004 1.88582 A11 1.90720 -0.00002 -0.00006 -0.00007 -0.00013 1.90707 A12 1.89216 -0.00001 0.00001 -0.00004 -0.00003 1.89213 A13 1.91085 -0.00006 0.00018 -0.00032 -0.00014 1.91071 A14 2.08902 -0.00003 0.00011 -0.00004 0.00007 2.08909 A15 2.20733 0.00001 -0.00004 -0.00007 -0.00011 2.20722 A16 1.98682 0.00002 -0.00007 0.00010 0.00004 1.98686 A17 2.24440 0.00003 0.00021 -0.00003 0.00019 2.24458 A18 2.02624 -0.00002 -0.00004 -0.00001 -0.00005 2.02619 A19 2.01213 -0.00001 -0.00015 0.00006 -0.00009 2.01204 A20 2.13615 -0.00005 0.00011 -0.00020 -0.00008 2.13607 A21 1.99462 -0.00003 -0.00024 0.00002 -0.00022 1.99440 A22 2.15236 0.00008 0.00013 0.00016 0.00030 2.15266 A23 2.05728 0.00014 -0.00001 0.00040 0.00042 2.05769 A24 2.10923 -0.00014 -0.00016 -0.00039 -0.00054 2.10870 A25 2.11557 -0.00000 0.00007 -0.00003 0.00006 2.11563 A26 2.17348 0.00003 0.00004 0.00004 0.00008 2.17356 A27 1.99199 -0.00003 -0.00046 0.00009 -0.00037 1.99162 A28 2.11766 -0.00000 0.00042 -0.00013 0.00029 2.11794 A29 2.05090 -0.00005 -0.00005 -0.00009 -0.00014 2.05076 A30 2.10722 0.00012 -0.00044 0.00030 -0.00014 2.10708 A31 2.12498 -0.00007 0.00048 -0.00020 0.00028 2.12526 A32 2.10334 -0.00005 0.00033 -0.00012 0.00021 2.10355 A33 2.11986 0.00009 -0.00037 0.00020 -0.00017 2.11969 A34 2.05976 -0.00004 0.00004 -0.00010 -0.00006 2.05969 A35 2.11212 0.00002 -0.00015 0.00011 -0.00004 2.11208 A36 2.08927 0.00001 0.00018 0.00002 0.00019 2.08946 A37 2.08170 -0.00003 -0.00003 -0.00013 -0.00016 2.08154 A38 2.11423 -0.00000 0.00022 -0.00013 0.00009 2.11432 A39 2.07945 -0.00001 0.00012 -0.00011 0.00001 2.07945 A40 2.08948 0.00001 -0.00034 0.00024 -0.00010 2.08938 A41 2.05367 0.00001 -0.00012 0.00008 -0.00004 2.05363 A42 2.10714 0.00001 -0.00066 0.00035 -0.00030 2.10684 A43 2.12233 -0.00003 0.00078 -0.00044 0.00035 2.12268 A44 2.12029 0.00001 -0.00003 0.00001 -0.00002 2.12027 A45 2.08615 -0.00000 0.00010 -0.00003 0.00007 2.08622 A46 2.07674 -0.00001 -0.00007 0.00002 -0.00005 2.07669 A47 2.10616 -0.00000 0.00005 0.00003 0.00008 2.10624 A48 2.09100 0.00001 -0.00008 0.00001 -0.00007 2.09093 A49 2.08601 -0.00001 0.00003 -0.00004 -0.00001 2.08600 A50 1.99659 0.00001 -0.00051 0.00040 -0.00011 1.99648 A51 1.89986 0.00002 -0.00046 0.00043 -0.00003 1.89984 A52 1.90793 0.00001 0.00053 -0.00033 0.00020 1.90813 A53 1.89373 -0.00001 -0.00037 0.00013 -0.00024 1.89349 A54 1.90455 -0.00003 0.00063 -0.00062 0.00000 1.90455 A55 1.85598 0.00001 0.00022 -0.00003 0.00019 1.85617 A56 1.99542 -0.00000 0.00047 -0.00020 0.00027 1.99569 A57 1.90643 -0.00001 -0.00056 0.00037 -0.00019 1.90623 A58 1.88699 -0.00001 -0.00001 -0.00019 -0.00020 1.88680 A59 1.90997 0.00001 0.00003 0.00017 0.00020 1.91017 A60 1.90411 0.00001 -0.00035 0.00013 -0.00022 1.90389 A61 1.85570 0.00000 0.00042 -0.00031 0.00012 1.85581 A62 1.97103 -0.00005 -0.00005 -0.00019 -0.00025 1.97078 A63 1.91501 0.00003 -0.00001 0.00027 0.00026 1.91526 A64 1.90604 0.00000 -0.00013 0.00006 -0.00008 1.90596 A65 1.90652 0.00000 -0.00012 0.00004 -0.00008 1.90644 A66 1.90521 0.00002 -0.00015 0.00013 -0.00001 1.90520 A67 1.85649 -0.00001 0.00050 -0.00031 0.00019 1.85668 A68 1.91030 0.00000 0.00000 0.00005 0.00005 1.91036 A69 1.90720 -0.00001 -0.00000 -0.00006 -0.00006 1.90714 A70 1.97118 0.00000 -0.00014 0.00003 -0.00011 1.97107 A71 1.85481 0.00000 0.00030 -0.00015 0.00015 1.85496 A72 1.90878 -0.00000 -0.00008 0.00007 -0.00001 1.90877 A73 1.90794 0.00000 -0.00006 0.00005 -0.00001 1.90794 A74 1.93958 -0.00001 0.00002 -0.00003 -0.00001 1.93957 A75 1.93990 -0.00001 0.00003 -0.00003 -0.00001 1.93990 A76 1.94179 0.00001 0.00004 -0.00002 0.00002 1.94181 A77 1.87891 0.00000 -0.00004 0.00005 0.00001 1.87892 A78 1.88087 -0.00000 -0.00002 0.00001 -0.00001 1.88086 A79 1.87998 -0.00000 -0.00003 0.00003 -0.00000 1.87998 D1 -3.12429 0.00004 -0.00008 0.00037 0.00030 -3.12399 D2 1.07893 0.00004 -0.00007 0.00046 0.00038 1.07931 D3 -1.01343 0.00004 -0.00014 0.00045 0.00031 -1.01312 D4 -1.05386 -0.00004 0.00017 -0.00040 -0.00023 -1.05409 D5 -3.13383 -0.00004 0.00017 -0.00032 -0.00015 -3.13397 D6 1.05700 -0.00004 0.00010 -0.00032 -0.00022 1.05678 D7 0.99774 0.00000 0.00035 -0.00025 0.00010 0.99784 D8 -1.08223 0.00000 0.00035 -0.00016 0.00018 -1.08205 D9 3.10860 0.00000 0.00028 -0.00017 0.00011 3.10871 D10 -1.05180 0.00003 0.00093 0.00094 0.00187 -1.04994 D11 3.10292 0.00001 0.00069 0.00129 0.00198 3.10491 D12 1.10445 0.00003 0.00060 0.00139 0.00199 1.10644 D13 1.60509 0.00004 0.00070 0.00188 0.00259 1.60768 D14 -1.48644 0.00006 0.00170 0.00219 0.00389 -1.48256 D15 -2.54635 0.00003 0.00088 0.00144 0.00232 -2.54403 D16 0.64530 0.00005 0.00187 0.00174 0.00362 0.64892 D17 -0.49114 0.00003 0.00069 0.00166 0.00235 -0.48879 D18 2.70051 0.00005 0.00168 0.00197 0.00365 2.70416 D19 3.11199 0.00001 0.00078 0.00083 0.00161 3.11359 D20 0.00304 -0.00003 -0.00021 -0.00025 -0.00047 0.00258 D21 -0.02608 0.00004 0.00058 0.00104 0.00162 -0.02446 D22 -3.13503 0.00000 -0.00041 -0.00004 -0.00045 -3.13548 D23 -3.11827 0.00001 -0.00096 0.00003 -0.00093 -3.11920 D24 0.03733 0.00001 -0.00013 -0.00036 -0.00049 0.03684 D25 0.01952 -0.00002 -0.00075 -0.00019 -0.00095 0.01857 D26 -3.10807 -0.00002 0.00008 -0.00058 -0.00050 -3.10857 D27 -3.10052 -0.00001 -0.00167 0.00064 -0.00103 -3.10155 D28 0.03053 -0.00003 0.00020 -0.00123 -0.00103 0.02950 D29 0.00865 0.00002 -0.00068 0.00170 0.00102 0.00967 D30 3.13969 0.00001 0.00119 -0.00017 0.00103 3.14072 D31 -3.11995 0.00002 0.00016 0.00092 0.00108 -3.11887 D32 -0.02860 -0.00000 -0.00084 0.00059 -0.00025 -0.02885 D33 0.01099 0.00001 0.00205 -0.00098 0.00107 0.01206 D34 3.10233 -0.00002 0.00105 -0.00130 -0.00025 3.10208 D35 3.11777 0.00000 -0.00034 -0.00019 -0.00053 3.11724 D36 -0.03502 -0.00000 -0.00028 -0.00056 -0.00084 -0.03586 D37 0.02792 0.00002 0.00069 0.00012 0.00080 0.02872 D38 -3.12487 0.00001 0.00075 -0.00025 0.00050 -3.12437 D39 -0.02235 -0.00000 0.00018 -0.00032 -0.00014 -0.02249 D40 3.10509 -0.00000 -0.00067 0.00008 -0.00059 3.10449 D41 3.13120 0.00000 0.00012 0.00007 0.00019 3.13140 D42 -0.02455 0.00000 -0.00073 0.00047 -0.00026 -0.02481 D43 2.36697 -0.00001 -0.00043 -0.00007 -0.00049 2.36648 D44 -0.79823 -0.00003 -0.00054 -0.00073 -0.00128 -0.79950 D45 -0.76001 -0.00000 0.00045 -0.00047 -0.00003 -0.76004 D46 2.35797 -0.00002 0.00033 -0.00114 -0.00081 2.35716 D47 3.09953 -0.00001 -0.00006 -0.00027 -0.00034 3.09920 D48 -0.05708 -0.00002 -0.00042 -0.00026 -0.00069 -0.05777 D49 -0.01925 0.00001 0.00006 0.00037 0.00042 -0.01882 D50 3.10732 0.00000 -0.00031 0.00038 0.00007 3.10740 D51 -3.10492 0.00000 0.00021 -0.00003 0.00018 -3.10474 D52 0.04292 0.00001 0.00048 -0.00018 0.00030 0.04322 D53 0.01363 -0.00002 0.00011 -0.00069 -0.00058 0.01305 D54 -3.12171 -0.00001 0.00037 -0.00083 -0.00046 -3.12217 D55 0.01506 0.00000 0.00022 0.00000 0.00023 0.01528 D56 -3.13481 -0.00001 0.00014 -0.00052 -0.00038 -3.13519 D57 -3.11158 0.00001 0.00058 -0.00001 0.00057 -3.11100 D58 0.02174 -0.00000 0.00049 -0.00053 -0.00004 0.02170 D59 -0.00459 -0.00001 -0.00064 -0.00006 -0.00070 -0.00529 D60 3.12662 -0.00001 -0.00041 -0.00022 -0.00064 3.12598 D61 -3.13786 0.00000 -0.00055 0.00046 -0.00009 -3.13795 D62 -0.00665 0.00000 -0.00033 0.00030 -0.00003 -0.00667 D63 -0.00101 0.00001 0.00080 -0.00026 0.00054 -0.00046 D64 -3.13997 -0.00001 0.00128 -0.00089 0.00038 -3.13958 D65 -3.13212 0.00001 0.00059 -0.00010 0.00048 -3.13164 D66 0.01210 -0.00001 0.00106 -0.00074 0.00032 0.01243 D67 -1.30533 -0.00002 0.00006 -0.00150 -0.00144 -1.30677 D68 0.81594 -0.00002 -0.00110 -0.00074 -0.00184 0.81410 D69 2.83646 0.00001 -0.00080 -0.00072 -0.00152 2.83494 D70 1.82547 -0.00002 0.00029 -0.00166 -0.00137 1.82409 D71 -2.33644 -0.00002 -0.00088 -0.00090 -0.00178 -2.33822 D72 -0.31593 0.00001 -0.00057 -0.00088 -0.00145 -0.31738 D73 -0.00372 0.00001 -0.00055 0.00065 0.00010 -0.00363 D74 3.13163 0.00000 -0.00081 0.00079 -0.00002 3.13161 D75 3.13525 0.00002 -0.00102 0.00128 0.00026 3.13551 D76 -0.01258 0.00001 -0.00128 0.00142 0.00014 -0.01244 D77 -1.15228 0.00001 0.00051 -0.00014 0.00037 -1.15190 D78 0.99423 0.00002 0.00045 0.00023 0.00068 0.99491 D79 3.00655 0.00001 0.00066 -0.00004 0.00062 3.00717 D80 3.00627 -0.00001 0.00172 -0.00106 0.00066 3.00692 D81 -1.13042 -0.00000 0.00166 -0.00069 0.00097 -1.12945 D82 0.88191 -0.00001 0.00186 -0.00096 0.00090 0.88281 D83 0.99095 -0.00000 0.00132 -0.00076 0.00056 0.99151 D84 3.13745 0.00001 0.00126 -0.00039 0.00087 3.13832 D85 -1.13340 0.00000 0.00146 -0.00066 0.00080 -1.13260 D86 -3.11862 0.00000 -0.00090 0.00127 0.00037 -3.11826 D87 1.03318 0.00001 -0.00071 0.00116 0.00046 1.03364 D88 -0.99536 0.00000 -0.00122 0.00136 0.00013 -0.99523 D89 1.01998 0.00000 -0.00053 0.00080 0.00027 1.02025 D90 -1.11140 0.00001 -0.00033 0.00069 0.00036 -1.11104 D91 -3.13995 0.00000 -0.00085 0.00088 0.00004 -3.13991 D92 -1.00369 -0.00001 -0.00086 0.00099 0.00014 -1.00356 D93 -3.13507 -0.00000 -0.00066 0.00089 0.00022 -3.13485 D94 1.11957 -0.00001 -0.00118 0.00108 -0.00010 1.11947 D95 1.00688 -0.00001 -0.00027 -0.00008 -0.00035 1.00653 D96 -1.01765 -0.00001 -0.00064 0.00011 -0.00053 -1.01818 D97 3.13786 -0.00001 -0.00047 0.00007 -0.00040 3.13746 D98 -3.14017 0.00000 -0.00041 0.00016 -0.00025 -3.14042 D99 1.11848 0.00000 -0.00077 0.00035 -0.00043 1.11806 D100 -1.00919 0.00000 -0.00061 0.00031 -0.00030 -1.00949 D101 -1.11685 0.00000 0.00004 -0.00012 -0.00008 -1.11693 D102 -3.14138 0.00000 -0.00033 0.00007 -0.00026 3.14155 D103 1.01413 0.00000 -0.00016 0.00003 -0.00013 1.01400 D104 1.04326 -0.00000 -0.00001 -0.00017 -0.00019 1.04308 D105 -1.04894 -0.00000 0.00001 -0.00019 -0.00018 -1.04913 D106 3.13921 -0.00000 0.00000 -0.00019 -0.00019 3.13902 D107 -3.10809 -0.00000 -0.00016 -0.00004 -0.00020 -3.10829 D108 1.08290 -0.00000 -0.00014 -0.00006 -0.00020 1.08270 D109 -1.01214 -0.00000 -0.00015 -0.00006 -0.00021 -1.01234 D110 -1.08399 0.00000 0.00012 -0.00015 -0.00003 -1.08402 D111 3.10699 0.00000 0.00014 -0.00017 -0.00003 3.10696 D112 1.01195 0.00000 0.00014 -0.00017 -0.00003 1.01192 Item Value Threshold Converged? Maximum Force 0.000206 0.000450 YES RMS Force 0.000033 0.000300 YES Maximum Displacement 0.009334 0.001800 NO RMS Displacement 0.001917 0.001200 NO Predicted change in Energy=-1.182971D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.019364 -4.620902 2.466869 2 6 0 7.187792 -3.456036 3.430023 3 8 0 6.759740 -5.819060 3.136735 4 8 0 2.847441 -3.686845 -0.920027 5 6 0 3.705472 -3.943032 -0.128966 6 7 0 5.026112 -3.632072 -0.422074 7 6 0 6.137029 -3.814023 0.352564 8 8 0 7.228623 -3.465222 0.001518 9 7 0 5.889534 -4.414093 1.561578 10 6 0 4.609376 -4.756130 1.940459 11 6 0 3.521664 -4.575377 1.184904 12 1 0 7.889916 -4.714881 1.838483 13 1 0 7.369916 -2.540256 2.881189 14 1 0 8.036635 -3.630257 4.085234 15 1 0 5.188894 -3.195757 -1.305172 16 1 0 4.545204 -5.201711 2.910559 17 6 0 2.173389 -5.010332 1.636822 18 1 0 6.301036 -3.335674 4.042868 19 1 0 7.481263 -6.019209 3.717115 20 6 0 1.996991 -6.250902 2.242579 21 6 0 0.756622 -6.645167 2.711752 22 6 0 -0.356770 -5.824098 2.577775 23 6 0 -0.178767 -4.590776 1.961845 24 6 0 1.060391 -4.187605 1.496454 25 1 0 2.832502 -6.922065 2.336697 26 1 0 0.655541 -7.609095 3.180782 27 6 0 -1.714703 -6.274055 3.077115 28 1 0 -1.020208 -3.930324 1.844062 29 1 0 1.160149 -3.232748 1.017606 30 6 0 -2.399246 -7.329664 2.191907 31 6 0 -2.791363 -6.828025 0.801212 32 1 0 -1.603007 -6.683316 4.077748 33 1 0 -2.367470 -5.410755 3.170889 34 1 0 -1.745518 -8.193470 2.094234 35 1 0 -3.291073 -7.677822 2.709087 36 6 0 -3.498122 -7.893513 -0.039113 37 1 0 -1.906911 -6.483861 0.272484 38 1 0 -3.444458 -5.962136 0.903593 39 1 0 -4.385562 -8.240063 0.486754 40 1 0 -2.847332 -8.759225 -0.142553 41 6 0 -3.895236 -7.390914 -1.426689 42 1 0 -3.024593 -7.068368 -1.990250 43 1 0 -4.574754 -6.545993 -1.357888 44 1 0 -4.391505 -8.168174 -1.999762 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520837 0.000000 3 O 1.397036 2.419324 0.000000 4 O 5.454216 6.149379 6.025757 0.000000 5 C 4.263771 5.003011 4.849003 1.194834 0.000000 6 N 3.646481 4.420690 4.522555 2.235524 1.388056 7 C 2.428962 3.271547 3.487055 3.529455 2.482132 8 O 2.730813 3.428761 3.948416 4.482535 3.557797 9 N 1.462476 2.468691 2.283049 3.992692 2.801779 10 C 2.470514 3.249196 2.680478 3.525644 2.400143 11 C 3.725509 4.442294 3.980142 2.382184 1.469660 12 H 1.077758 2.147247 2.044987 5.838904 4.687875 13 H 2.150264 1.083071 3.344874 6.018031 4.945398 14 H 2.152980 1.086365 2.705730 7.209964 6.051138 15 H 4.428313 5.146398 5.392571 2.423202 2.035294 16 H 2.579858 3.209438 2.310074 4.455403 3.395311 17 C 4.931948 5.547580 4.892687 2.956931 2.569905 18 H 2.156752 1.084620 2.683038 6.056482 4.950761 19 H 1.931768 2.595843 0.947363 6.958112 5.775763 20 C 5.285021 6.013794 4.865160 4.159295 3.724164 21 C 6.586316 7.214320 6.074577 5.129621 4.905806 22 C 7.474445 7.953267 7.138429 5.202830 5.231316 23 C 7.215888 7.596668 7.143663 4.275536 4.458517 24 C 6.053000 6.466755 6.150995 3.046914 3.114203 25 H 4.779342 5.672501 4.156907 4.590547 3.964367 26 H 7.066627 7.744696 6.361399 6.083182 5.804871 27 C 8.910064 9.344527 8.486857 6.594236 6.714977 28 H 8.093176 8.373260 8.109618 4.760061 5.121040 29 H 6.193362 6.496313 6.521896 2.609134 2.880590 30 C 9.804244 10.413895 9.330682 7.105067 7.356854 31 C 10.192947 10.856541 9.884141 6.680253 7.169190 32 H 9.010758 9.386853 8.459785 7.332331 7.306541 33 H 9.446278 9.756593 9.136401 6.848559 7.065683 34 H 9.472342 10.199590 8.891796 7.105682 7.261001 35 H 10.756790 11.320328 10.230186 8.171885 8.423469 36 C 11.296346 12.079522 10.936777 7.664087 8.216212 37 H 9.378930 10.092145 9.151870 5.643514 6.173801 38 H 10.664629 11.211963 10.446676 6.934733 7.500964 39 H 12.128129 12.864379 11.709030 8.661822 9.181961 40 H 11.013014 11.899193 10.568543 7.665764 8.132351 41 C 11.914750 12.724167 11.697182 7.709768 8.446463 42 H 11.257756 12.112849 11.116650 6.860091 7.650221 43 H 12.359543 13.070172 12.214778 7.965891 8.766288 44 H 12.757031 13.629633 12.500087 8.581985 9.322700 6 7 8 9 10 6 N 0.000000 7 C 1.366494 0.000000 8 O 2.249072 1.198530 0.000000 9 N 2.300419 1.372244 2.264354 0.000000 10 C 2.649290 2.396393 3.505195 1.378168 0.000000 11 C 2.394905 2.848260 4.046529 2.403062 1.336657 12 H 3.805780 2.468221 2.318058 2.041734 3.282384 13 H 4.194881 3.088113 3.027876 2.728401 3.662739 14 H 5.420246 4.192267 4.166156 3.404891 4.196874 15 H 0.998365 2.007312 2.437324 3.192725 3.647565 16 H 3.715035 3.317066 4.321881 2.060902 1.069465 17 C 3.778449 4.334849 5.533261 3.764425 2.467964 18 H 4.652847 3.724790 4.148459 2.736626 3.049513 19 H 5.372064 4.241464 4.515787 3.123514 3.605497 20 C 4.809805 5.162408 6.336588 4.357698 3.024926 21 C 6.093288 6.521497 7.703520 5.713789 4.359710 22 C 6.540603 7.152719 8.351023 6.483602 5.119505 23 C 5.804562 6.563719 7.744622 6.084054 4.791044 24 C 4.440305 5.217307 6.387782 4.834890 3.621554 25 H 4.821493 4.951424 6.060421 4.029414 2.829410 26 H 6.920923 7.242106 8.395523 6.342283 5.030966 27 C 8.041329 8.667446 9.865694 7.973753 6.602276 28 H 6.463924 7.311917 8.464898 6.932414 5.690646 29 H 4.144612 5.054650 6.157341 4.904953 3.881947 30 C 8.697185 9.413336 10.603187 8.809185 7.470413 31 C 8.533667 9.434070 10.599438 9.042301 7.769271 32 H 8.573430 9.056378 10.245461 8.223057 6.846586 33 H 8.410598 9.100495 10.291502 8.471206 7.114694 34 H 8.543602 9.184090 10.357171 8.535891 7.226592 35 H 9.764621 10.458071 11.650791 9.810823 8.458378 36 C 9.537772 10.470519 11.604933 10.138869 8.915907 37 H 7.528740 8.475814 9.625154 8.168860 6.944724 38 H 8.884658 9.834781 10.998317 9.484345 8.209371 39 H 10.518515 11.416337 12.566776 11.016846 9.754996 40 H 9.399837 10.267370 11.382973 9.905405 8.715859 41 C 9.732862 10.798436 11.882385 10.655184 9.518834 42 H 8.892759 10.000742 11.048902 9.956019 8.892378 43 H 10.076870 11.186223 12.274317 11.071116 9.921237 44 H 10.571510 11.633661 12.694497 11.509823 10.401117 11 12 13 14 15 11 C 0.000000 12 H 4.419079 0.000000 13 H 4.672061 2.467110 0.000000 14 H 5.448865 2.499165 1.755659 0.000000 15 H 3.299013 4.414275 4.765728 6.111865 0.000000 16 H 2.101860 3.545906 3.881135 4.004924 4.712811 17 C 1.487030 5.727708 5.886732 6.502075 4.587078 18 H 4.174893 3.047305 1.767680 1.760931 5.464245 19 H 4.916825 2.323258 3.579705 2.480130 6.200823 20 C 2.500138 6.103215 6.560873 6.836700 5.666454 21 C 3.776341 7.441270 7.785542 7.998420 6.905009 22 C 4.306000 8.353727 8.401033 8.805374 7.262220 23 C 3.781145 8.070580 7.876067 8.539567 6.436712 24 C 2.511034 6.858383 6.666435 7.461930 5.086984 25 H 2.703426 5.540516 6.331260 6.401280 5.718493 26 H 4.626190 7.906607 8.418178 8.433844 7.755813 27 C 5.821125 9.808870 9.823947 10.153549 8.737277 28 H 4.634564 8.944600 8.567503 9.334843 7.000729 29 H 2.721653 6.939764 6.520252 7.540186 4.650532 30 C 6.607368 10.622093 10.901837 11.232894 9.321943 31 C 6.713862 10.937598 11.223318 11.758234 9.017468 32 H 6.250936 9.950107 9.955403 10.111573 9.341778 33 H 6.270876 10.366944 10.155805 10.594885 9.057592 34 H 6.454508 10.247321 10.754965 10.976225 9.198868 35 H 7.639481 11.599633 11.835577 12.107581 10.397741 36 C 7.860383 11.971486 12.461933 12.970590 9.956709 37 H 5.826169 10.077672 10.412343 11.025163 7.978163 38 H 7.108381 11.441054 11.513941 12.139851 9.330930 39 H 8.743086 12.842953 13.282032 13.729907 10.969331 40 H 7.735038 11.643441 12.337372 12.753086 9.843007 41 C 8.352129 12.518479 12.999629 13.670895 10.006774 42 H 7.690909 11.803585 12.340200 13.079865 9.106471 43 H 8.712123 12.997606 13.292511 14.041945 10.322581 44 H 9.255729 13.322562 13.922218 14.562916 10.816257 16 17 18 19 20 16 H 0.000000 17 C 2.698989 0.000000 18 H 2.801279 5.062707 0.000000 19 H 3.152662 5.789558 2.949646 0.000000 20 C 2.835559 1.391788 5.501309 5.683765 0.000000 21 C 4.059119 2.415655 6.592810 6.828132 1.383504 22 C 4.952521 2.819453 7.257074 7.922810 2.415514 23 C 4.856872 2.411287 6.920533 7.987330 2.751136 24 C 3.895129 1.391167 5.888495 7.036597 2.385606 25 H 2.494450 2.139854 5.272945 4.932715 1.075824 26 H 4.582357 3.382491 7.132807 7.028931 2.127064 27 C 6.353274 4.334593 8.591788 9.221731 3.804425 28 H 5.807551 3.377636 7.667396 8.952473 3.827190 29 H 4.349562 2.137730 5.965863 7.416751 3.363052 30 C 7.298632 5.157170 9.750534 10.083055 4.526940 31 C 7.805092 5.352664 10.265309 10.709039 5.033780 32 H 6.431017 4.797725 8.583811 9.115649 4.063842 33 H 6.920732 4.809688 8.955965 9.882617 4.540498 34 H 7.013572 5.069460 9.599083 9.617413 4.219235 35 H 8.220642 6.174593 10.613283 10.945791 5.497030 36 C 8.980059 6.579326 11.552487 11.754538 6.172564 37 H 7.087535 4.547698 9.565421 10.010954 4.379040 38 H 8.272899 5.744890 10.570147 11.282311 5.611206 39 H 9.739866 7.400923 12.284232 12.497558 6.912066 40 H 8.753684 6.513678 11.429142 11.361540 5.953821 41 C 9.738859 7.202811 12.260709 12.560455 7.034308 42 H 9.208918 6.664096 11.717460 12.001990 6.618262 43 H 10.158759 7.540821 12.560140 13.091245 7.499218 44 H 10.619601 8.142146 13.198365 13.351529 7.904825 21 22 23 24 25 21 C 0.000000 22 C 1.389872 0.000000 23 C 2.378620 1.390014 0.000000 24 C 2.758412 2.419857 1.383708 0.000000 25 H 2.127585 3.381583 3.826638 3.365064 0.000000 26 H 1.076738 2.138833 3.360376 3.835030 2.433855 27 C 2.525600 1.515184 2.536997 3.814827 4.652441 28 H 3.358627 2.136554 1.076147 2.125069 4.902711 29 H 3.831132 3.383824 2.128033 1.072847 4.260026 30 C 3.270821 2.566580 3.533407 4.724963 5.249598 31 C 4.033831 3.176679 3.630153 4.721354 5.830473 32 H 2.726765 2.131028 3.299126 4.470497 4.770953 33 H 3.390358 2.136715 2.631459 4.006253 5.479018 34 H 3.006539 2.788613 3.930858 4.927212 4.757471 35 H 4.177345 3.473279 4.446872 5.708531 6.181263 36 C 5.218091 4.582431 5.092153 6.072212 6.831177 37 H 3.615309 2.855275 3.069885 3.946616 5.187970 38 H 4.624396 3.515076 3.696656 4.877921 6.509645 39 H 5.825492 5.142025 5.761104 6.862967 7.567024 40 H 5.060116 4.713603 5.378261 6.233486 6.463926 41 C 6.270775 5.568787 5.756308 6.585149 7.723040 42 H 6.048595 5.434367 5.464087 6.094505 7.283504 43 H 6.707859 5.813946 5.845358 6.742709 8.286062 44 H 7.142907 6.536637 6.799946 7.602080 8.517272 26 27 28 29 30 26 H 0.000000 27 C 2.722340 0.000000 28 H 4.257735 2.737848 0.000000 29 H 4.907788 4.664322 2.433845 0.000000 30 C 3.222992 1.538344 3.684867 5.552747 0.000000 31 C 4.260701 2.577948 3.552632 5.346709 1.529520 32 H 2.600510 1.086847 3.592766 5.376423 2.146662 33 H 3.737832 1.086363 2.401512 4.671664 2.154443 34 H 2.699475 2.156655 4.331636 5.849000 1.087686 35 H 3.975296 2.142650 4.466411 6.514075 1.088138 36 C 5.263225 3.938795 5.039174 6.673746 2.550080 37 H 4.036151 2.819028 3.126763 4.531204 2.154521 38 H 4.970720 2.795272 3.299959 5.353968 2.149966 39 H 5.750533 4.208164 5.633981 7.490656 2.771611 40 H 4.963615 4.221987 5.532025 6.924437 2.773829 41 C 6.479658 5.127022 5.562309 6.987263 3.916118 42 H 6.369878 5.293858 5.344794 6.424270 4.236717 43 H 7.006119 5.284231 5.452431 7.036312 4.236511 44 H 7.254190 6.043809 6.640782 8.017718 4.716172 31 32 33 34 35 31 C 0.000000 32 H 3.488383 0.000000 33 H 2.793512 1.739600 0.000000 34 H 2.151776 2.497039 3.047870 0.000000 35 H 2.147522 2.389946 2.491163 1.741458 0.000000 36 C 1.530007 4.690904 4.212669 2.777186 2.764416 37 H 1.086396 3.822587 3.124807 2.503514 3.046059 38 H 1.089393 3.739827 2.569933 3.046781 2.495378 39 H 2.152721 4.802220 4.391157 3.091277 2.540233 40 H 2.150200 4.865046 4.735125 2.556811 3.081912 41 C 2.549299 6.004485 5.233815 4.202652 4.189507 42 H 2.811480 6.244179 5.460480 4.425482 4.746178 43 H 2.814558 6.196473 5.164367 4.757720 4.412387 44 H 3.493123 6.849573 6.199654 4.874698 4.860519 36 37 38 39 40 36 C 0.000000 37 H 2.148526 0.000000 38 H 2.149835 1.741994 0.000000 39 H 1.088202 3.045302 2.499677 0.000000 40 H 1.087972 2.496783 3.045437 1.741180 0.000000 41 C 1.528290 2.768279 2.770347 2.150055 2.149275 42 H 2.170720 2.590526 3.126397 3.059518 2.510857 43 H 2.171201 3.127196 2.594755 2.511647 3.059317 44 H 2.172030 3.764733 3.767355 2.487561 2.486571 41 42 43 44 41 C 0.000000 42 H 1.086120 0.000000 43 H 1.086448 1.753783 0.000000 44 H 1.085738 1.754455 1.754153 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.789526 -0.967416 0.545995 2 6 0 -5.371646 -1.505870 -0.751753 3 8 0 -4.236772 -1.982193 1.331107 4 8 0 -0.837892 2.641436 -0.507214 5 6 0 -1.638792 1.789107 -0.262828 6 7 0 -2.965305 2.134344 -0.044030 7 6 0 -4.027662 1.315320 0.216551 8 8 0 -5.143096 1.733255 0.349264 9 7 0 -3.706507 -0.016297 0.298448 10 6 0 -2.415854 -0.453720 0.092967 11 6 0 -1.376687 0.346293 -0.165422 12 1 0 -5.541162 -0.424899 1.095796 13 1 0 -5.775766 -0.695002 -1.345236 14 1 0 -6.177773 -2.202954 -0.540991 15 1 0 -3.182172 3.106795 -0.107588 16 1 0 -2.296749 -1.513899 0.167726 17 6 0 0.000851 -0.188589 -0.331401 18 1 0 -4.611267 -2.024752 -1.325326 19 1 0 -4.908264 -2.613737 1.549618 20 6 0 0.492032 -1.158496 0.537560 21 6 0 1.753445 -1.699203 0.362752 22 6 0 2.578020 -1.279412 -0.674357 23 6 0 2.088259 -0.302266 -1.533112 24 6 0 0.825050 0.237774 -1.367865 25 1 0 -0.109835 -1.485237 1.367254 26 1 0 2.100991 -2.452156 1.049511 27 6 0 3.965561 -1.863766 -0.844773 28 1 0 2.700791 0.043541 -2.347553 29 1 0 0.482225 0.997113 -2.043791 30 6 0 5.000062 -1.350964 0.171763 31 6 0 5.330780 0.136461 0.039017 32 1 0 3.904165 -2.945421 -0.758224 33 1 0 4.321751 -1.657121 -1.850065 34 1 0 4.643412 -1.554108 1.179033 35 1 0 5.912435 -1.930773 0.047495 36 6 0 6.385898 0.604160 1.043458 37 1 0 4.427507 0.726083 0.168244 38 1 0 5.685844 0.335810 -0.971412 39 1 0 7.292947 0.016546 0.916357 40 1 0 6.033056 0.405927 2.053354 41 6 0 6.720843 2.089069 0.907333 42 1 0 5.839845 2.704989 1.062705 43 1 0 7.109892 2.314052 -0.081805 44 1 0 7.469092 2.391998 1.633407 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6068616 0.1064995 0.0967653 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.6892887823 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.83D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 0.000318 0.000022 0.000013 Ang= 0.04 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -990.116176979 A.U. after 9 cycles NFock= 9 Conv=0.68D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000119148 0.000025218 -0.000047162 2 6 0.000004315 -0.000044962 0.000033204 3 8 -0.000012552 -0.000075715 -0.000055449 4 8 -0.000033187 0.000050272 -0.000027433 5 6 0.000140146 -0.000105973 -0.000041949 6 7 -0.000074962 0.000125100 -0.000015450 7 6 -0.000037386 -0.000157021 0.000053366 8 8 0.000039423 0.000039458 -0.000028625 9 7 0.000190437 0.000025547 -0.000054910 10 6 -0.000071540 0.000051997 0.000076452 11 6 -0.000016157 -0.000033570 -0.000028509 12 1 0.000008613 0.000051646 -0.000008579 13 1 0.000002996 0.000021834 -0.000005125 14 1 0.000010828 0.000006920 0.000013974 15 1 -0.000004709 -0.000023308 -0.000004736 16 1 -0.000036042 -0.000005450 -0.000007763 17 6 -0.000014977 0.000108752 0.000026697 18 1 -0.000006103 0.000009954 0.000008069 19 1 0.000035108 0.000005842 0.000068508 20 6 -0.000010034 -0.000047193 0.000014956 21 6 0.000007693 -0.000038557 -0.000006862 22 6 0.000018388 0.000006605 0.000023155 23 6 -0.000098591 -0.000042617 0.000040232 24 6 0.000054167 0.000012884 -0.000002759 25 1 0.000000841 0.000005770 0.000004736 26 1 0.000022483 0.000013661 -0.000009078 27 6 0.000050811 0.000020181 -0.000042250 28 1 -0.000011342 -0.000021098 -0.000018498 29 1 -0.000005077 -0.000013372 0.000014610 30 6 -0.000014482 0.000052163 -0.000012210 31 6 0.000003891 -0.000015511 0.000054616 32 1 -0.000014907 -0.000011270 0.000022294 33 1 -0.000016104 0.000001910 -0.000015884 34 1 -0.000003270 -0.000011452 -0.000005025 35 1 -0.000009869 -0.000018105 0.000024279 36 6 -0.000007372 0.000014006 -0.000020154 37 1 0.000016353 0.000026493 -0.000016016 38 1 0.000013264 0.000018048 -0.000004405 39 1 -0.000000182 -0.000005699 0.000005451 40 1 0.000004383 -0.000015530 0.000005771 41 6 -0.000002809 -0.000006070 -0.000004127 42 1 0.000008699 0.000000767 -0.000002224 43 1 -0.000005733 0.000005701 0.000004540 44 1 -0.000006304 -0.000008255 -0.000009728 ------------------------------------------------------------------- Cartesian Forces: Max 0.000190437 RMS 0.000042749 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000132149 RMS 0.000026606 Search for a local minimum. Step number 22 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 20 21 22 DE= -1.50D-06 DEPred=-1.18D-06 R= 1.27D+00 TightC=F SS= 1.41D+00 RLast= 1.09D-02 DXNew= 1.3131D+00 3.2732D-02 Trust test= 1.27D+00 RLast= 1.09D-02 DXMaxT set to 7.81D-01 ITU= 1 1 1 1 1 1 1 1 0 0 -1 -1 1 -1 1 1 1 1 0 1 ITU= 1 0 Eigenvalues --- 0.00230 0.00237 0.00263 0.00289 0.00300 Eigenvalues --- 0.00349 0.00509 0.00693 0.01466 0.01487 Eigenvalues --- 0.01535 0.01569 0.01724 0.01807 0.01879 Eigenvalues --- 0.02010 0.02058 0.02130 0.02172 0.02321 Eigenvalues --- 0.02419 0.02440 0.02477 0.02524 0.02660 Eigenvalues --- 0.03422 0.03434 0.03604 0.04343 0.04717 Eigenvalues --- 0.04764 0.04859 0.05184 0.05343 0.05430 Eigenvalues --- 0.05452 0.05510 0.05595 0.05634 0.06087 Eigenvalues --- 0.06578 0.08361 0.08371 0.08600 0.08695 Eigenvalues --- 0.09686 0.12216 0.12248 0.12374 0.13076 Eigenvalues --- 0.14430 0.15788 0.15965 0.15983 0.15999 Eigenvalues --- 0.16000 0.16008 0.16010 0.16041 0.16111 Eigenvalues --- 0.16161 0.16211 0.16514 0.18686 0.20235 Eigenvalues --- 0.20838 0.21698 0.21867 0.22004 0.22128 Eigenvalues --- 0.22680 0.23042 0.23423 0.24006 0.24535 Eigenvalues --- 0.24986 0.25020 0.25290 0.26776 0.27070 Eigenvalues --- 0.28105 0.28358 0.28911 0.29138 0.30196 Eigenvalues --- 0.30912 0.31997 0.32773 0.33347 0.33542 Eigenvalues --- 0.33567 0.33674 0.33695 0.33702 0.33730 Eigenvalues --- 0.33741 0.33747 0.33768 0.33782 0.33791 Eigenvalues --- 0.33885 0.33911 0.34363 0.34880 0.35995 Eigenvalues --- 0.37443 0.37805 0.38138 0.38578 0.39135 Eigenvalues --- 0.40574 0.43797 0.44387 0.46021 0.49443 Eigenvalues --- 0.50872 0.51394 0.52255 0.52570 0.54424 Eigenvalues --- 0.55927 0.56437 0.57098 0.59889 0.88987 Eigenvalues --- 0.91287 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 22 21 20 19 18 17 RFO step: Lambda=-2.71005136D-06. DidBck=F Rises=F RFO-DIIS coefs: 2.65540 -1.47091 -0.19692 0.01491 0.00046 RFO-DIIS coefs: -0.00294 Iteration 1 RMS(Cart)= 0.00352914 RMS(Int)= 0.00000647 Iteration 2 RMS(Cart)= 0.00000864 RMS(Int)= 0.00000049 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000049 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87397 0.00003 0.00011 0.00004 0.00015 2.87412 R2 2.64002 0.00006 0.00018 0.00011 0.00029 2.64031 R3 2.76368 -0.00005 -0.00090 0.00023 -0.00067 2.76301 R4 2.03667 0.00001 -0.00011 0.00004 -0.00006 2.03661 R5 2.04671 0.00002 0.00003 0.00004 0.00007 2.04678 R6 2.05293 0.00002 -0.00008 0.00007 -0.00001 2.05292 R7 2.04964 0.00001 -0.00000 0.00001 0.00001 2.04964 R8 1.79026 0.00007 -0.00012 0.00016 0.00004 1.79030 R9 2.25791 0.00005 -0.00005 0.00008 0.00003 2.25794 R10 2.62305 -0.00003 -0.00039 0.00007 -0.00033 2.62272 R11 2.77725 0.00005 0.00051 -0.00016 0.00035 2.77761 R12 2.58230 0.00006 0.00026 0.00000 0.00026 2.58256 R13 1.88664 -0.00001 0.00006 -0.00004 0.00002 1.88666 R14 2.26489 0.00006 -0.00026 0.00016 -0.00011 2.26479 R15 2.59316 -0.00002 0.00014 -0.00012 0.00002 2.59318 R16 2.60436 0.00008 0.00033 0.00003 0.00036 2.60472 R17 2.52592 -0.00002 -0.00024 0.00006 -0.00018 2.52574 R18 2.02100 -0.00000 0.00005 -0.00003 0.00001 2.02101 R19 2.81008 0.00003 -0.00018 0.00010 -0.00009 2.80999 R20 2.63010 0.00005 -0.00033 0.00025 -0.00008 2.63002 R21 2.62893 -0.00001 0.00065 -0.00034 0.00031 2.62924 R22 2.61444 -0.00001 0.00040 -0.00020 0.00019 2.61464 R23 2.03301 -0.00000 -0.00008 0.00004 -0.00004 2.03297 R24 2.62648 0.00002 -0.00025 0.00019 -0.00006 2.62641 R25 2.03474 -0.00002 0.00004 -0.00004 0.00000 2.03474 R26 2.62675 -0.00004 0.00034 -0.00022 0.00011 2.62686 R27 2.86328 -0.00003 0.00000 -0.00010 -0.00010 2.86318 R28 2.61483 0.00007 -0.00043 0.00036 -0.00006 2.61477 R29 2.03362 -0.00000 0.00006 -0.00002 0.00003 2.03365 R30 2.02739 -0.00002 0.00001 -0.00001 -0.00000 2.02738 R31 2.90705 -0.00004 0.00041 -0.00020 0.00020 2.90725 R32 2.05384 0.00002 -0.00016 0.00010 -0.00006 2.05379 R33 2.05293 0.00001 -0.00007 0.00006 -0.00001 2.05292 R34 2.89037 -0.00001 0.00004 -0.00004 -0.00000 2.89037 R35 2.05543 0.00001 -0.00015 0.00010 -0.00005 2.05538 R36 2.05628 0.00003 -0.00003 0.00005 0.00002 2.05630 R37 2.89129 0.00003 0.00019 -0.00000 0.00019 2.89148 R38 2.05299 0.00003 -0.00021 0.00015 -0.00006 2.05293 R39 2.05865 0.00001 -0.00009 0.00006 -0.00003 2.05862 R40 2.05640 0.00000 -0.00010 0.00005 -0.00005 2.05635 R41 2.05597 0.00001 -0.00011 0.00008 -0.00003 2.05594 R42 2.88805 0.00001 0.00007 0.00000 0.00008 2.88813 R43 2.05247 0.00001 -0.00003 0.00003 -0.00001 2.05246 R44 2.05309 0.00001 -0.00003 0.00002 -0.00001 2.05308 R45 2.05175 0.00001 -0.00003 0.00004 0.00001 2.05176 A1 1.95392 -0.00002 -0.00009 -0.00004 -0.00013 1.95378 A2 1.94902 0.00002 0.00036 0.00005 0.00041 1.94943 A3 1.92472 -0.00001 -0.00002 -0.00022 -0.00025 1.92448 A4 1.84889 0.00001 -0.00065 0.00069 0.00004 1.84893 A5 1.93360 0.00001 0.00018 -0.00025 -0.00007 1.93353 A6 1.84984 -0.00001 0.00023 -0.00021 0.00002 1.84986 A7 1.92339 0.00000 0.00001 0.00000 0.00001 1.92340 A8 1.92374 0.00001 -0.00011 0.00016 0.00004 1.92378 A9 1.93082 0.00001 0.00045 -0.00012 0.00033 1.93115 A10 1.88582 -0.00001 -0.00006 -0.00003 -0.00009 1.88572 A11 1.90707 -0.00001 -0.00025 0.00001 -0.00024 1.90683 A12 1.89213 -0.00001 -0.00005 -0.00002 -0.00007 1.89207 A13 1.91071 -0.00000 -0.00017 0.00020 0.00003 1.91074 A14 2.08909 -0.00002 0.00011 0.00004 0.00016 2.08925 A15 2.20722 0.00001 -0.00022 -0.00000 -0.00022 2.20700 A16 1.98686 0.00001 0.00011 -0.00004 0.00006 1.98693 A17 2.24458 -0.00001 0.00037 -0.00014 0.00022 2.24480 A18 2.02619 -0.00000 -0.00009 0.00003 -0.00006 2.02613 A19 2.01204 0.00001 -0.00018 0.00011 -0.00007 2.01197 A20 2.13607 -0.00004 -0.00012 -0.00008 -0.00020 2.13587 A21 1.99440 0.00002 -0.00043 0.00024 -0.00019 1.99421 A22 2.15266 0.00002 0.00055 -0.00016 0.00038 2.15305 A23 2.05769 0.00008 0.00071 -0.00001 0.00070 2.05839 A24 2.10870 -0.00005 -0.00093 0.00018 -0.00075 2.10794 A25 2.11563 -0.00003 0.00013 -0.00015 -0.00002 2.11561 A26 2.17356 0.00002 0.00019 -0.00004 0.00014 2.17371 A27 1.99162 0.00003 -0.00080 0.00044 -0.00036 1.99126 A28 2.11794 -0.00005 0.00060 -0.00039 0.00021 2.11815 A29 2.05076 -0.00001 -0.00032 0.00014 -0.00019 2.05057 A30 2.10708 0.00013 -0.00044 0.00037 -0.00007 2.10701 A31 2.12526 -0.00012 0.00075 -0.00050 0.00025 2.12551 A32 2.10355 -0.00009 0.00058 -0.00040 0.00018 2.10373 A33 2.11969 0.00010 -0.00044 0.00033 -0.00011 2.11959 A34 2.05969 -0.00001 -0.00016 0.00007 -0.00009 2.05961 A35 2.11208 0.00002 -0.00009 0.00008 -0.00001 2.11207 A36 2.08946 -0.00001 0.00042 -0.00020 0.00022 2.08969 A37 2.08154 -0.00001 -0.00035 0.00013 -0.00021 2.08132 A38 2.11432 -0.00002 0.00022 -0.00016 0.00007 2.11439 A39 2.07945 -0.00001 0.00003 -0.00006 -0.00003 2.07942 A40 2.08938 0.00003 -0.00026 0.00022 -0.00003 2.08934 A41 2.05363 0.00002 -0.00011 0.00010 -0.00001 2.05362 A42 2.10684 0.00008 -0.00065 0.00053 -0.00012 2.10672 A43 2.12268 -0.00010 0.00076 -0.00064 0.00012 2.12280 A44 2.12027 0.00000 -0.00007 0.00002 -0.00004 2.12023 A45 2.08622 -0.00001 0.00015 -0.00011 0.00004 2.08626 A46 2.07669 0.00001 -0.00009 0.00009 0.00000 2.07669 A47 2.10624 -0.00001 0.00021 -0.00012 0.00008 2.10632 A48 2.09093 0.00001 -0.00016 0.00008 -0.00008 2.09085 A49 2.08600 0.00000 -0.00004 0.00004 -0.00000 2.08600 A50 1.99648 0.00001 -0.00030 0.00008 -0.00022 1.99626 A51 1.89984 0.00001 -0.00010 0.00020 0.00010 1.89993 A52 1.90813 0.00000 0.00038 -0.00020 0.00018 1.90831 A53 1.89349 0.00000 -0.00037 0.00030 -0.00006 1.89343 A54 1.90455 -0.00003 0.00005 -0.00024 -0.00019 1.90436 A55 1.85617 0.00000 0.00038 -0.00016 0.00023 1.85640 A56 1.99569 -0.00005 0.00053 -0.00033 0.00019 1.99589 A57 1.90623 0.00002 -0.00036 0.00023 -0.00013 1.90610 A58 1.88680 0.00000 -0.00036 0.00017 -0.00019 1.88661 A59 1.91017 0.00000 0.00045 -0.00026 0.00020 1.91037 A60 1.90389 0.00003 -0.00052 0.00034 -0.00018 1.90371 A61 1.85581 -0.00001 0.00023 -0.00013 0.00009 1.85591 A62 1.97078 -0.00001 -0.00043 0.00026 -0.00017 1.97061 A63 1.91526 0.00001 0.00045 -0.00025 0.00020 1.91547 A64 1.90596 0.00000 -0.00017 0.00011 -0.00006 1.90591 A65 1.90644 0.00000 -0.00014 0.00005 -0.00008 1.90636 A66 1.90520 0.00001 -0.00007 0.00009 0.00003 1.90523 A67 1.85668 -0.00001 0.00040 -0.00031 0.00010 1.85677 A68 1.91036 -0.00001 0.00011 -0.00011 0.00000 1.91036 A69 1.90714 -0.00001 -0.00011 0.00002 -0.00010 1.90704 A70 1.97107 0.00002 -0.00022 0.00021 -0.00001 1.97106 A71 1.85496 -0.00000 0.00032 -0.00019 0.00013 1.85508 A72 1.90877 -0.00000 -0.00003 0.00002 -0.00001 1.90876 A73 1.90794 -0.00000 -0.00003 0.00003 -0.00000 1.90793 A74 1.93957 -0.00000 -0.00001 -0.00002 -0.00003 1.93954 A75 1.93990 -0.00001 -0.00001 -0.00003 -0.00004 1.93986 A76 1.94181 0.00001 0.00006 0.00003 0.00009 1.94190 A77 1.87892 0.00000 -0.00000 0.00001 0.00001 1.87893 A78 1.88086 -0.00000 -0.00002 0.00000 -0.00002 1.88085 A79 1.87998 0.00000 -0.00001 0.00000 -0.00001 1.87997 D1 -3.12399 -0.00001 0.00028 -0.00054 -0.00026 -3.12425 D2 1.07931 -0.00001 0.00042 -0.00060 -0.00018 1.07913 D3 -1.01312 -0.00001 0.00027 -0.00061 -0.00034 -1.01346 D4 -1.05409 0.00001 -0.00037 0.00034 -0.00003 -1.05412 D5 -3.13397 0.00001 -0.00022 0.00028 0.00005 -3.13392 D6 1.05678 0.00000 -0.00038 0.00028 -0.00010 1.05668 D7 0.99784 0.00000 0.00013 -0.00003 0.00010 0.99794 D8 -1.08205 0.00000 0.00027 -0.00009 0.00018 -1.08187 D9 3.10871 0.00000 0.00012 -0.00009 0.00002 3.10873 D10 -1.04994 0.00004 0.00364 0.00068 0.00432 -1.04561 D11 3.10491 0.00001 0.00368 0.00020 0.00388 3.10878 D12 1.10644 0.00001 0.00368 0.00018 0.00386 1.11030 D13 1.60768 0.00004 0.00506 0.00068 0.00573 1.61341 D14 -1.48256 0.00005 0.00718 0.00018 0.00736 -1.47519 D15 -2.54403 0.00003 0.00473 0.00110 0.00583 -2.53820 D16 0.64892 0.00004 0.00686 0.00060 0.00746 0.65638 D17 -0.48879 0.00004 0.00474 0.00105 0.00579 -0.48300 D18 2.70416 0.00005 0.00687 0.00055 0.00741 2.71158 D19 3.11359 -0.00001 0.00336 -0.00081 0.00254 3.11614 D20 0.00258 -0.00003 -0.00075 -0.00034 -0.00109 0.00149 D21 -0.02446 0.00003 0.00316 -0.00029 0.00287 -0.02160 D22 -3.13548 0.00001 -0.00095 0.00018 -0.00076 -3.13624 D23 -3.11920 0.00002 -0.00202 0.00079 -0.00123 -3.12043 D24 0.03684 0.00002 -0.00119 0.00015 -0.00104 0.03581 D25 0.01857 -0.00002 -0.00180 0.00023 -0.00158 0.01700 D26 -3.10857 -0.00002 -0.00097 -0.00041 -0.00139 -3.10995 D27 -3.10155 -0.00000 -0.00202 0.00027 -0.00175 -3.10330 D28 0.02950 -0.00002 -0.00218 0.00014 -0.00204 0.02746 D29 0.00967 0.00002 0.00207 -0.00021 0.00186 0.01153 D30 3.14072 0.00000 0.00190 -0.00033 0.00157 -3.14090 D31 -3.11887 0.00001 0.00200 -0.00043 0.00157 -3.11730 D32 -0.02885 0.00000 -0.00017 0.00008 -0.00009 -0.02894 D33 0.01206 -0.00000 0.00182 -0.00056 0.00127 0.01333 D34 3.10208 -0.00002 -0.00035 -0.00005 -0.00039 3.10169 D35 3.11724 -0.00000 -0.00092 0.00039 -0.00053 3.11671 D36 -0.03586 -0.00000 -0.00139 0.00052 -0.00086 -0.03672 D37 0.02872 0.00001 0.00126 -0.00013 0.00113 0.02985 D38 -3.12437 0.00001 0.00080 -0.00000 0.00080 -3.12358 D39 -0.02249 0.00000 -0.00016 -0.00004 -0.00020 -0.02269 D40 3.10449 0.00001 -0.00101 0.00062 -0.00040 3.10410 D41 3.13140 0.00000 0.00035 -0.00018 0.00016 3.13156 D42 -0.02481 0.00001 -0.00051 0.00047 -0.00003 -0.02484 D43 2.36648 -0.00001 -0.00036 -0.00009 -0.00045 2.36603 D44 -0.79950 -0.00001 -0.00127 0.00017 -0.00110 -0.80060 D45 -0.76004 -0.00001 0.00052 -0.00077 -0.00025 -0.76028 D46 2.35716 -0.00001 -0.00039 -0.00050 -0.00089 2.35627 D47 3.09920 0.00000 -0.00034 0.00015 -0.00019 3.09901 D48 -0.05777 0.00000 -0.00103 0.00087 -0.00015 -0.05792 D49 -0.01882 -0.00000 0.00055 -0.00011 0.00044 -0.01839 D50 3.10740 0.00000 -0.00014 0.00061 0.00047 3.10787 D51 -3.10474 -0.00000 0.00022 -0.00014 0.00008 -3.10466 D52 0.04322 0.00000 0.00016 0.00011 0.00027 0.04349 D53 0.01305 -0.00000 -0.00066 0.00012 -0.00055 0.01250 D54 -3.12217 0.00000 -0.00072 0.00036 -0.00036 -3.12253 D55 0.01528 -0.00000 0.00027 -0.00024 0.00003 0.01532 D56 -3.13519 0.00000 -0.00064 0.00067 0.00003 -3.13516 D57 -3.11100 -0.00001 0.00095 -0.00096 -0.00001 -3.11101 D58 0.02170 -0.00000 0.00004 -0.00005 -0.00001 0.02169 D59 -0.00529 0.00001 -0.00095 0.00057 -0.00038 -0.00568 D60 3.12598 0.00000 -0.00102 0.00040 -0.00062 3.12536 D61 -3.13795 0.00000 -0.00003 -0.00035 -0.00038 -3.13833 D62 -0.00667 -0.00000 -0.00010 -0.00052 -0.00062 -0.00729 D63 -0.00046 -0.00001 0.00084 -0.00056 0.00027 -0.00019 D64 -3.13958 -0.00002 0.00079 -0.00073 0.00006 -3.13953 D65 -3.13164 -0.00000 0.00091 -0.00040 0.00051 -3.13113 D66 0.01243 -0.00001 0.00086 -0.00057 0.00030 0.01272 D67 -1.30677 -0.00002 -0.00143 -0.00054 -0.00197 -1.30874 D68 0.81410 -0.00000 -0.00218 0.00005 -0.00213 0.81197 D69 2.83494 0.00001 -0.00157 -0.00014 -0.00171 2.83323 D70 1.82409 -0.00003 -0.00150 -0.00072 -0.00222 1.82187 D71 -2.33822 -0.00001 -0.00226 -0.00012 -0.00238 -2.34060 D72 -0.31738 0.00000 -0.00165 -0.00031 -0.00196 -0.31934 D73 -0.00363 0.00001 -0.00003 0.00023 0.00020 -0.00343 D74 3.13161 0.00000 0.00003 -0.00002 0.00001 3.13162 D75 3.13551 0.00001 0.00002 0.00039 0.00041 3.13592 D76 -0.01244 0.00001 0.00007 0.00015 0.00022 -0.01222 D77 -1.15190 0.00002 0.00079 0.00043 0.00122 -1.15069 D78 0.99491 0.00001 0.00148 0.00003 0.00151 0.99642 D79 3.00717 0.00001 0.00137 0.00009 0.00146 3.00862 D80 3.00692 -0.00000 0.00140 -0.00011 0.00129 3.00821 D81 -1.12945 -0.00001 0.00209 -0.00051 0.00158 -1.12786 D82 0.88281 -0.00001 0.00198 -0.00045 0.00153 0.88434 D83 0.99151 0.00000 0.00112 0.00004 0.00115 0.99266 D84 3.13832 -0.00000 0.00181 -0.00036 0.00145 3.13977 D85 -1.13260 -0.00000 0.00169 -0.00030 0.00139 -1.13121 D86 -3.11826 0.00000 0.00065 -0.00014 0.00051 -3.11775 D87 1.03364 -0.00000 0.00079 -0.00021 0.00059 1.03422 D88 -0.99523 0.00001 0.00015 0.00024 0.00039 -0.99484 D89 1.02025 -0.00000 0.00040 -0.00001 0.00039 1.02064 D90 -1.11104 -0.00000 0.00054 -0.00008 0.00047 -1.11058 D91 -3.13991 0.00001 -0.00010 0.00037 0.00027 -3.13964 D92 -1.00356 -0.00000 0.00016 0.00011 0.00027 -1.00329 D93 -3.13485 -0.00001 0.00031 0.00004 0.00034 -3.13450 D94 1.11947 0.00000 -0.00033 0.00048 0.00015 1.11962 D95 1.00653 -0.00000 -0.00078 0.00061 -0.00017 1.00635 D96 -1.01818 0.00001 -0.00116 0.00089 -0.00027 -1.01845 D97 3.13746 0.00000 -0.00089 0.00070 -0.00019 3.13727 D98 -3.14042 -0.00000 -0.00060 0.00051 -0.00009 -3.14051 D99 1.11806 0.00001 -0.00098 0.00079 -0.00018 1.11787 D100 -1.00949 0.00000 -0.00071 0.00060 -0.00011 -1.00960 D101 -1.11693 -0.00001 -0.00023 0.00023 -0.00000 -1.11694 D102 3.14155 0.00000 -0.00061 0.00051 -0.00010 3.14145 D103 1.01400 -0.00000 -0.00034 0.00032 -0.00002 1.01398 D104 1.04308 -0.00000 -0.00036 0.00017 -0.00020 1.04288 D105 -1.04913 0.00000 -0.00034 0.00019 -0.00016 -1.04928 D106 3.13902 0.00000 -0.00036 0.00018 -0.00018 3.13884 D107 -3.10829 0.00000 -0.00039 0.00018 -0.00021 -3.10850 D108 1.08270 0.00000 -0.00037 0.00020 -0.00017 1.08253 D109 -1.01234 0.00000 -0.00039 0.00020 -0.00019 -1.01254 D110 -1.08402 -0.00000 -0.00005 -0.00002 -0.00007 -1.08409 D111 3.10696 -0.00000 -0.00003 -0.00000 -0.00003 3.10693 D112 1.01192 -0.00000 -0.00004 -0.00001 -0.00005 1.01187 Item Value Threshold Converged? Maximum Force 0.000132 0.000450 YES RMS Force 0.000027 0.000300 YES Maximum Displacement 0.018813 0.001800 NO RMS Displacement 0.003529 0.001200 NO Predicted change in Energy=-1.342638D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.019196 -4.618725 2.465796 2 6 0 7.181041 -3.456622 3.433532 3 8 0 6.764161 -5.820577 3.131113 4 8 0 2.847285 -3.693256 -0.923034 5 6 0 3.705554 -3.946637 -0.131301 6 7 0 5.025618 -3.633897 -0.424292 7 6 0 6.137140 -3.815068 0.349906 8 8 0 7.228291 -3.466103 -0.002161 9 7 0 5.890200 -4.414153 1.559533 10 6 0 4.610023 -4.755874 1.939329 11 6 0 3.522098 -4.576907 1.183822 12 1 0 7.891226 -4.706406 1.838606 13 1 0 7.359961 -2.537997 2.888337 14 1 0 8.029692 -3.629436 4.089357 15 1 0 5.188086 -3.199576 -1.308445 16 1 0 4.546560 -5.199934 2.910181 17 6 0 2.174070 -5.011758 1.636427 18 1 0 6.292956 -3.342096 4.045579 19 1 0 7.484094 -6.017589 3.714571 20 6 0 1.997948 -6.251521 2.243816 21 6 0 0.757622 -6.645343 2.713778 22 6 0 -0.355921 -5.824675 2.578955 23 6 0 -0.178165 -4.591888 1.961752 24 6 0 1.060845 -4.189117 1.495720 25 1 0 2.833407 -6.922592 2.338782 26 1 0 0.656781 -7.608664 3.184105 27 6 0 -1.713701 -6.274692 3.078491 28 1 0 -1.019723 -3.931676 1.843310 29 1 0 1.160448 -3.234724 1.015918 30 6 0 -2.398763 -7.329305 2.192312 31 6 0 -2.789827 -6.826857 0.801613 32 1 0 -1.601731 -6.685115 4.078584 33 1 0 -2.366389 -5.411443 3.173221 34 1 0 -1.745793 -8.193677 2.094856 35 1 0 -3.291266 -7.676648 2.708897 36 6 0 -3.497721 -7.891494 -0.039019 37 1 0 -1.904918 -6.483736 0.273036 38 1 0 -3.441931 -5.960250 0.904053 39 1 0 -4.385595 -8.237120 0.486671 40 1 0 -2.847788 -8.757819 -0.142531 41 6 0 -3.894127 -7.388208 -1.426593 42 1 0 -3.023064 -7.066363 -1.989899 43 1 0 -4.572832 -6.542646 -1.357687 44 1 0 -4.391047 -8.164816 -1.999998 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520918 0.000000 3 O 1.397190 2.419407 0.000000 4 O 5.453943 6.149561 6.025240 0.000000 5 C 4.263431 5.002716 4.848719 1.194850 0.000000 6 N 3.646485 4.422678 4.521616 2.235486 1.387883 7 C 2.429173 3.275205 3.485734 3.529639 2.482233 8 O 2.731862 3.436031 3.946692 4.482501 3.557705 9 N 1.462120 2.468807 2.282915 3.992763 2.801816 10 C 2.469837 3.245125 2.682211 3.525552 2.400091 11 C 3.724903 4.438930 3.981159 2.382237 1.469846 12 H 1.077725 2.147117 2.045050 5.839046 4.688031 13 H 2.150370 1.083108 3.345034 6.018755 4.945419 14 H 2.153078 1.086360 2.705716 7.210095 6.050846 15 H 4.428526 5.150174 5.391042 2.423140 2.035109 16 H 2.578607 3.202112 2.313388 4.455462 3.395388 17 C 4.931285 5.542363 4.894610 2.956773 2.569978 18 H 2.157063 1.084625 2.683496 6.056655 4.950399 19 H 1.931939 2.594104 0.947386 6.957722 5.775547 20 C 5.284717 6.007607 4.867217 4.158729 3.724190 21 C 6.586045 7.207378 6.077246 5.129123 4.905893 22 C 7.473920 7.946306 7.141461 5.202634 5.231453 23 C 7.215039 7.590315 7.146535 4.275848 4.458755 24 C 6.052071 6.461305 6.153372 3.047559 3.114559 25 H 4.779620 5.666864 4.158491 4.590016 3.964626 26 H 7.066543 7.737418 6.363973 6.082542 5.804944 27 C 8.909608 9.337237 8.490178 6.593831 6.714978 28 H 8.092203 8.367019 8.112659 4.760594 5.121284 29 H 6.192135 6.491659 6.523978 2.610595 2.881058 30 C 9.804080 10.407254 9.333637 7.102623 7.355563 31 C 10.191285 10.849133 9.885234 6.676144 7.166308 32 H 9.010629 9.379570 8.463644 7.332199 7.306823 33 H 9.445532 9.748975 9.139809 6.849370 7.066401 34 H 9.473274 10.194122 8.895209 7.103367 7.260187 35 H 10.757120 11.313838 10.234006 8.169464 8.422304 36 C 11.295603 12.073220 10.938219 7.659359 8.213256 37 H 9.376901 10.084979 9.152120 5.639219 6.170717 38 H 10.661797 11.203301 10.447182 6.930494 7.497542 39 H 12.127612 12.857846 11.711097 8.657281 9.179151 40 H 11.013303 11.894046 10.570416 7.661125 8.129815 41 C 11.913075 12.717607 11.697403 7.704082 8.442591 42 H 11.255715 12.106510 11.116047 6.853980 7.646003 43 H 12.357007 13.062651 12.214668 7.960282 8.762132 44 H 12.755851 13.623640 12.500497 8.576022 9.318799 6 7 8 9 10 6 N 0.000000 7 C 1.366633 0.000000 8 O 2.249026 1.198473 0.000000 9 N 2.300405 1.372254 2.264548 0.000000 10 C 2.649199 2.396554 3.505456 1.378359 0.000000 11 C 2.394968 2.848554 4.046765 2.403239 1.336562 12 H 3.805613 2.467292 2.316519 2.041421 3.283122 13 H 4.198055 3.093515 3.038700 2.728713 3.658108 14 H 5.421947 4.195200 4.172462 3.404881 4.193521 15 H 0.998377 2.007401 2.437180 3.192719 3.647499 16 H 3.714926 3.317048 4.321989 2.060842 1.069472 17 C 3.778411 4.335104 5.533459 3.764660 2.468013 18 H 4.655216 3.729073 4.156252 2.737141 3.044228 19 H 5.371804 4.241032 4.515486 3.123410 3.606064 20 C 4.810150 5.162956 6.337149 4.358187 3.025328 21 C 6.093610 6.522083 7.704119 5.714355 4.360144 22 C 6.540639 7.153113 8.351365 6.484044 5.119771 23 C 5.804335 6.563884 7.744671 6.084277 4.791047 24 C 4.440061 5.217430 6.387784 4.835016 3.621417 25 H 4.822435 4.952473 6.061546 4.030320 2.830299 26 H 6.921419 7.242817 8.396300 6.342934 5.031501 27 C 8.041250 8.667793 9.865993 7.974218 6.602574 28 H 6.463500 7.311945 8.464765 6.932557 5.690567 29 H 4.144042 5.054487 6.157007 4.904806 3.881514 30 C 8.696211 9.413074 10.602840 8.809394 7.470584 31 C 8.531061 9.432160 10.597330 9.040932 7.767956 32 H 8.573656 9.057060 10.246160 8.223862 6.847208 33 H 8.410918 9.101073 10.292001 8.471709 7.114955 34 H 8.543402 9.184645 10.357685 8.536965 7.227661 35 H 9.763773 10.458082 11.650735 9.811434 8.458932 36 C 9.535348 10.468956 11.603136 10.138063 8.915238 37 H 7.525967 8.473629 9.622751 8.167136 6.943089 38 H 8.881205 9.831962 10.995255 9.482022 8.207087 39 H 10.516199 11.414955 12.565186 11.016264 9.754508 40 H 9.398111 10.266558 11.381974 9.905397 8.715999 41 C 9.729404 10.795813 11.879398 10.653404 9.517309 42 H 8.888994 9.997746 11.045508 9.953841 8.890511 43 H 10.072849 11.182980 12.270659 11.068681 9.919057 44 H 10.568143 11.631211 12.691662 11.508335 10.399925 11 12 13 14 15 11 C 0.000000 12 H 4.419818 0.000000 13 H 4.668160 2.467018 0.000000 14 H 5.445938 2.498983 1.755627 0.000000 15 H 3.299084 4.413777 4.771552 6.115207 0.000000 16 H 2.101903 3.546637 3.873191 3.998641 4.712726 17 C 1.486985 5.728873 5.880496 6.497383 4.587000 18 H 4.170380 3.047382 1.767564 1.760890 5.468695 19 H 4.917079 2.324694 3.578495 2.478188 6.200285 20 C 2.500191 6.105924 6.554148 6.831054 5.666561 21 C 3.776442 7.444039 7.777637 7.991928 6.905114 22 C 4.306083 8.355482 8.392425 8.798801 7.262165 23 C 3.781183 8.071143 7.867678 8.533577 6.436565 24 C 2.511061 6.858518 6.659162 7.456877 5.086910 25 H 2.703787 5.544654 6.325850 6.396153 5.719058 26 H 4.626308 7.910162 8.410218 8.426954 7.756016 27 C 5.821154 9.810783 9.814804 10.146573 8.737059 28 H 4.634586 8.944565 8.558827 9.328879 7.000459 29 H 2.721587 6.938735 6.513474 7.535804 4.650351 30 C 6.606765 10.624904 10.893749 11.226775 9.320421 31 C 6.711836 10.938764 11.214585 11.751372 9.014244 32 H 6.251224 9.952337 9.946214 10.104533 9.341877 33 H 6.271239 10.368074 10.145922 10.587415 9.058023 34 H 6.454586 10.251774 10.748539 10.971347 9.197945 35 H 7.639122 11.602926 11.827365 12.101640 10.396279 36 C 7.858733 11.974071 12.454661 12.964948 9.953330 37 H 5.823918 10.078410 10.404164 11.018521 7.974804 38 H 7.105604 11.440540 11.503480 12.131652 9.327039 39 H 8.741555 12.845777 13.274264 13.724046 10.966068 40 H 7.733995 11.647544 12.331686 12.748677 9.840157 41 C 8.349735 12.519909 12.992215 13.664974 10.002259 42 H 7.688240 11.804599 12.333307 13.074143 9.101615 43 H 8.709264 12.997723 13.283730 14.034981 10.317658 44 H 9.253522 13.324778 13.915570 14.557633 10.811644 16 17 18 19 20 16 H 0.000000 17 C 2.699364 0.000000 18 H 2.791163 5.055394 0.000000 19 H 3.153523 5.790227 2.947310 0.000000 20 C 2.836424 1.391744 5.491649 5.684685 0.000000 21 C 4.060029 2.415700 6.582178 6.829428 1.383607 22 C 4.953214 2.819583 7.247189 7.924183 2.415618 23 C 4.857187 2.411460 6.912288 7.988442 2.751256 24 C 3.895210 1.391333 5.881684 7.037381 2.385649 25 H 2.495785 2.139933 5.263230 4.933631 1.075801 26 H 4.583383 3.382513 7.121251 7.030300 2.127136 27 C 6.354077 4.334664 8.581488 9.223347 3.804412 28 H 5.807771 3.377824 7.659822 8.953634 3.827326 29 H 4.349257 2.137829 5.960958 7.417248 3.363065 30 C 7.299799 5.156630 9.740555 10.085075 4.527177 31 C 7.804838 5.350866 10.254941 10.709514 5.033263 32 H 6.432138 4.798013 8.573386 9.117582 4.063504 33 H 6.921184 4.810120 8.945807 9.883951 4.540591 34 H 7.015765 5.069526 9.589821 9.620273 4.220160 35 H 8.222296 6.174280 10.603414 10.948619 5.497551 36 C 8.980686 6.577934 11.542890 11.755901 6.172780 37 H 7.086906 4.545734 9.555476 10.010744 4.378385 38 H 8.271555 5.742428 10.558975 11.281858 5.609998 39 H 9.740702 7.399601 12.274304 12.499407 6.912291 40 H 8.755225 6.512812 11.420312 11.363709 5.954606 41 C 9.738652 7.200876 12.251218 12.560815 7.034238 42 H 9.208340 6.661970 11.708347 12.001719 6.618070 43 H 10.157799 7.538503 12.550066 13.090949 7.498714 44 H 10.619849 8.140401 13.189221 13.352373 7.905056 21 22 23 24 25 21 C 0.000000 22 C 1.389838 0.000000 23 C 2.378638 1.390073 0.000000 24 C 2.758379 2.419850 1.383675 0.000000 25 H 2.127527 3.381556 3.826735 3.365207 0.000000 26 H 1.076738 2.138782 3.360390 3.834999 2.433715 27 C 2.525437 1.515129 2.537086 3.814825 4.652218 28 H 3.358669 2.136646 1.076164 2.125055 4.902824 29 H 3.831099 3.383830 2.127999 1.072845 4.260180 30 C 3.271467 2.566439 3.532374 4.723866 5.249997 31 C 4.034069 3.176037 3.627918 4.718806 5.830335 32 H 2.725954 2.131029 3.299866 4.471074 4.770090 33 H 3.390139 2.136796 2.632044 4.006747 5.478845 34 H 3.007905 2.788955 3.930403 4.926732 4.758596 35 H 4.178171 3.473175 4.445826 5.707499 6.182007 36 C 5.219073 4.582187 5.090180 6.069888 6.831975 37 H 3.615585 2.854998 3.067984 3.944107 5.187641 38 H 4.623927 3.513849 3.693685 4.874625 6.508795 39 H 5.826357 5.141577 5.758997 6.860628 7.567845 40 H 5.061624 4.713727 5.376791 6.231719 6.465365 41 C 6.271625 5.568479 5.754013 6.582237 7.723636 42 H 6.049414 5.434139 5.461870 6.091502 7.283982 43 H 6.708287 5.813344 5.842708 6.739388 8.286170 44 H 7.144038 6.536460 6.797768 7.599300 8.518267 26 27 28 29 30 26 H 0.000000 27 C 2.722098 0.000000 28 H 4.257774 2.738066 0.000000 29 H 4.907756 4.664370 2.433817 0.000000 30 C 3.224600 1.538451 3.683401 5.551349 0.000000 31 C 4.262229 2.578198 3.549714 5.343595 1.529519 32 H 2.598829 1.086816 3.593969 5.377244 2.146687 33 H 3.737307 1.086359 2.402475 4.672327 2.154398 34 H 2.702049 2.156635 4.330717 5.848210 1.087661 35 H 3.977125 2.142614 4.464747 6.512651 1.088149 36 C 5.265777 3.938990 5.036248 6.670602 2.550020 37 H 4.037584 2.819723 3.124474 4.528180 2.154644 38 H 4.971454 2.795324 3.296120 5.350037 2.149913 39 H 5.752970 4.208049 5.630845 7.487500 2.771433 40 H 4.966797 4.222210 5.529652 6.921888 2.773764 41 C 6.482122 5.127374 5.558964 6.983266 3.916128 42 H 6.372257 5.294313 5.341640 6.420136 4.236718 43 H 7.008076 5.284516 5.448681 7.031845 4.236497 44 H 7.257052 6.044154 6.637493 8.013778 4.716221 31 32 33 34 35 31 C 0.000000 32 H 3.488582 0.000000 33 H 2.794141 1.739720 0.000000 34 H 2.151902 2.496336 3.047760 0.000000 35 H 2.147398 2.390338 2.490412 1.741509 0.000000 36 C 1.530107 4.690926 4.212962 2.777406 2.764023 37 H 1.086365 3.822914 3.126314 2.503647 3.046049 38 H 1.089377 3.740243 2.570429 3.046817 2.495233 39 H 2.152790 4.802131 4.390808 3.091391 2.539679 40 H 2.150206 4.864831 4.735419 2.557059 3.081598 41 C 2.549411 6.004698 5.234489 4.202942 4.189143 42 H 2.811459 6.244359 5.461482 4.425774 4.745847 43 H 2.814687 6.196837 5.164992 4.757952 4.411969 44 H 3.493289 6.849742 6.200202 4.875042 4.860197 36 37 38 39 40 36 C 0.000000 37 H 2.148530 0.000000 38 H 2.149930 1.742019 0.000000 39 H 1.088176 3.045284 2.499769 0.000000 40 H 1.087956 2.496629 3.045446 1.741228 0.000000 41 C 1.528331 2.768350 2.770461 2.150063 2.149297 42 H 2.170731 2.590479 3.126322 3.059503 2.510879 43 H 2.171207 3.127378 2.594916 2.511564 3.059309 44 H 2.172136 3.764778 3.767551 2.487726 2.486662 41 42 43 44 41 C 0.000000 42 H 1.086116 0.000000 43 H 1.086445 1.753782 0.000000 44 H 1.085745 1.754446 1.754150 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.789871 -0.966197 0.543545 2 6 0 -5.364873 -1.511347 -0.754675 3 8 0 -4.240062 -1.976954 1.336148 4 8 0 -0.835833 2.641052 -0.504711 5 6 0 -1.637776 1.789159 -0.262157 6 7 0 -2.964384 2.134933 -0.045893 7 6 0 -4.027454 1.316715 0.215039 8 8 0 -5.142529 1.735670 0.347031 9 7 0 -3.706988 -0.015033 0.297688 10 6 0 -2.416368 -0.453269 0.092452 11 6 0 -1.376529 0.345974 -0.165123 12 1 0 -5.545092 -0.422276 1.086943 13 1 0 -5.767056 -0.703695 -1.353899 14 1 0 -6.171229 -2.208424 -0.544787 15 1 0 -3.180407 3.107638 -0.108631 16 1 0 -2.298308 -1.513580 0.167116 17 6 0 0.000809 -0.189522 -0.330377 18 1 0 -4.601216 -2.031892 -1.322367 19 1 0 -4.911170 -2.610201 1.550981 20 6 0 0.491304 -1.159611 0.538700 21 6 0 1.752604 -1.700941 0.364198 22 6 0 2.577687 -1.281587 -0.672638 23 6 0 2.088473 -0.304499 -1.531866 24 6 0 0.825454 0.236029 -1.367042 25 1 0 -0.110752 -1.486225 1.368278 26 1 0 2.099594 -2.454062 1.051054 27 6 0 3.965213 -1.866144 -0.841996 28 1 0 2.701376 0.040981 -2.346189 29 1 0 0.483034 0.995269 -2.043281 30 6 0 4.999672 -1.350725 0.173421 31 6 0 5.328954 0.136830 0.038579 32 1 0 3.904085 -2.947574 -0.752877 33 1 0 4.321472 -1.661565 -1.847681 34 1 0 4.643689 -1.553093 1.181057 35 1 0 5.912606 -1.929702 0.049303 36 6 0 6.384618 0.606474 1.041692 37 1 0 4.425427 0.725980 0.167924 38 1 0 5.683063 0.335181 -0.972364 39 1 0 7.291936 0.019321 0.914594 40 1 0 6.032574 0.409282 2.052052 41 6 0 6.718494 2.091473 0.903477 42 1 0 5.837157 2.706968 1.058590 43 1 0 7.106768 2.315424 -0.086196 44 1 0 7.466980 2.395919 1.628683 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6065615 0.1065458 0.0967905 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.7232834496 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.84D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 0.000518 0.000057 0.000007 Ang= 0.06 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -990.116178681 A.U. after 9 cycles NFock= 9 Conv=0.74D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000023406 -0.000065321 0.000046631 2 6 -0.000026529 -0.000023976 0.000002778 3 8 -0.000015760 -0.000019547 -0.000066809 4 8 -0.000001634 0.000052526 -0.000005097 5 6 0.000001250 -0.000127642 0.000055311 6 7 0.000066703 0.000059137 -0.000074234 7 6 -0.000135652 -0.000127457 0.000025915 8 8 0.000069431 0.000035804 -0.000019047 9 7 0.000014047 0.000109604 -0.000030425 10 6 0.000064728 0.000028335 0.000077085 11 6 0.000005501 0.000000148 -0.000150337 12 1 -0.000003103 0.000044685 -0.000026911 13 1 0.000004373 0.000014285 -0.000006526 14 1 0.000009577 0.000001363 0.000010902 15 1 -0.000002062 -0.000006836 0.000016292 16 1 -0.000067724 -0.000029102 -0.000003196 17 6 -0.000130619 0.000183552 0.000105032 18 1 -0.000006920 0.000004995 0.000008856 19 1 0.000020245 0.000005838 0.000047932 20 6 -0.000075075 -0.000064927 0.000032936 21 6 0.000046011 -0.000012009 -0.000032742 22 6 0.000065803 0.000011977 0.000033557 23 6 -0.000093346 -0.000049987 0.000029182 24 6 0.000131925 -0.000065787 -0.000024336 25 1 0.000033043 0.000012805 -0.000011211 26 1 0.000022600 0.000009647 -0.000017620 27 6 0.000001618 -0.000002617 -0.000130909 28 1 -0.000000681 -0.000027197 -0.000006168 29 1 -0.000004880 -0.000006136 0.000007125 30 6 -0.000018681 0.000092817 0.000049320 31 6 -0.000030811 -0.000077639 0.000037908 32 1 -0.000023334 -0.000002443 0.000038853 33 1 -0.000001182 0.000016341 -0.000000069 34 1 0.000000669 -0.000025944 -0.000026788 35 1 0.000004434 -0.000034399 0.000026783 36 6 0.000015125 0.000072423 -0.000030126 37 1 0.000030612 0.000035925 -0.000011827 38 1 0.000008136 0.000028759 -0.000012674 39 1 -0.000007597 -0.000017538 0.000013300 40 1 0.000000642 -0.000029372 0.000007970 41 6 0.000006286 -0.000005155 0.000014175 42 1 0.000009449 0.000002319 -0.000004875 43 1 -0.000006486 0.000008226 0.000002463 44 1 -0.000003539 -0.000010480 0.000001623 ------------------------------------------------------------------- Cartesian Forces: Max 0.000183552 RMS 0.000049470 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000147655 RMS 0.000029101 Search for a local minimum. Step number 23 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 20 21 22 23 DE= -1.70D-06 DEPred=-1.34D-06 R= 1.27D+00 TightC=F SS= 1.41D+00 RLast= 2.03D-02 DXNew= 1.3131D+00 6.0938D-02 Trust test= 1.27D+00 RLast= 2.03D-02 DXMaxT set to 7.81D-01 ITU= 1 1 1 1 1 1 1 1 1 0 0 -1 -1 1 -1 1 1 1 1 0 ITU= 1 1 0 Eigenvalues --- 0.00230 0.00236 0.00268 0.00289 0.00296 Eigenvalues --- 0.00309 0.00370 0.00687 0.01465 0.01493 Eigenvalues --- 0.01540 0.01572 0.01730 0.01826 0.01880 Eigenvalues --- 0.02029 0.02058 0.02121 0.02183 0.02330 Eigenvalues --- 0.02440 0.02476 0.02509 0.02587 0.02662 Eigenvalues --- 0.03422 0.03435 0.03627 0.04297 0.04733 Eigenvalues --- 0.04762 0.04826 0.05230 0.05354 0.05430 Eigenvalues --- 0.05454 0.05510 0.05550 0.05597 0.06051 Eigenvalues --- 0.06516 0.08361 0.08367 0.08611 0.08698 Eigenvalues --- 0.09715 0.12226 0.12248 0.12420 0.13074 Eigenvalues --- 0.14403 0.15815 0.15962 0.15987 0.15999 Eigenvalues --- 0.16000 0.16007 0.16019 0.16042 0.16103 Eigenvalues --- 0.16194 0.16203 0.16655 0.18653 0.20281 Eigenvalues --- 0.21039 0.21717 0.21937 0.22001 0.22151 Eigenvalues --- 0.22589 0.23045 0.23300 0.23991 0.24448 Eigenvalues --- 0.24966 0.24973 0.25223 0.26501 0.26894 Eigenvalues --- 0.28125 0.28361 0.28802 0.28918 0.29584 Eigenvalues --- 0.30509 0.31815 0.32857 0.33512 0.33535 Eigenvalues --- 0.33597 0.33677 0.33694 0.33701 0.33733 Eigenvalues --- 0.33744 0.33758 0.33774 0.33786 0.33815 Eigenvalues --- 0.33847 0.33959 0.34514 0.34827 0.35313 Eigenvalues --- 0.37454 0.37755 0.38143 0.38458 0.39161 Eigenvalues --- 0.40685 0.43700 0.44351 0.45916 0.49395 Eigenvalues --- 0.50273 0.51683 0.52335 0.53088 0.54657 Eigenvalues --- 0.55981 0.56768 0.58747 0.59959 0.88670 Eigenvalues --- 0.91119 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 23 22 21 20 19 18 17 RFO step: Lambda=-1.83547515D-06. DidBck=F Rises=F RFO-DIIS coefs: 1.53922 0.19707 -0.69706 -0.12537 0.11099 RFO-DIIS coefs: -0.00647 -0.01839 Iteration 1 RMS(Cart)= 0.00342781 RMS(Int)= 0.00000614 Iteration 2 RMS(Cart)= 0.00000816 RMS(Int)= 0.00000121 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000121 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87412 0.00001 0.00011 0.00001 0.00012 2.87424 R2 2.64031 0.00000 0.00024 -0.00004 0.00020 2.64051 R3 2.76301 0.00002 -0.00066 0.00016 -0.00050 2.76251 R4 2.03661 0.00001 -0.00007 0.00003 -0.00004 2.03657 R5 2.04678 0.00002 0.00006 0.00003 0.00008 2.04686 R6 2.05292 0.00001 -0.00002 0.00004 0.00002 2.05294 R7 2.04964 0.00001 0.00001 0.00002 0.00003 2.04968 R8 1.79030 0.00004 -0.00001 0.00008 0.00007 1.79037 R9 2.25794 0.00002 -0.00001 0.00004 0.00003 2.25797 R10 2.62272 0.00005 -0.00031 0.00013 -0.00018 2.62254 R11 2.77761 -0.00003 0.00034 -0.00021 0.00013 2.77774 R12 2.58256 -0.00001 0.00026 -0.00007 0.00018 2.58275 R13 1.88666 -0.00002 0.00003 -0.00004 -0.00001 1.88665 R14 2.26479 0.00008 -0.00013 0.00012 -0.00001 2.26477 R15 2.59318 -0.00002 0.00002 -0.00005 -0.00004 2.59315 R16 2.60472 -0.00001 0.00036 -0.00011 0.00025 2.60497 R17 2.52574 0.00001 -0.00021 0.00009 -0.00012 2.52562 R18 2.02101 0.00001 0.00001 0.00001 0.00002 2.02103 R19 2.80999 0.00003 -0.00009 0.00013 0.00005 2.81004 R20 2.63002 0.00003 -0.00011 0.00018 0.00007 2.63009 R21 2.62924 -0.00013 0.00025 -0.00030 -0.00005 2.62919 R22 2.61464 -0.00007 0.00017 -0.00018 -0.00002 2.61462 R23 2.03297 0.00002 -0.00007 0.00005 -0.00002 2.03295 R24 2.62641 0.00001 -0.00009 0.00012 0.00002 2.62644 R25 2.03474 -0.00002 -0.00003 -0.00001 -0.00003 2.03471 R26 2.62686 -0.00006 0.00007 -0.00014 -0.00007 2.62679 R27 2.86318 -0.00001 -0.00008 -0.00002 -0.00010 2.86308 R28 2.61477 0.00005 -0.00014 0.00022 0.00007 2.61484 R29 2.03365 -0.00002 0.00002 -0.00002 -0.00001 2.03365 R30 2.02738 -0.00001 0.00003 -0.00002 0.00001 2.02739 R31 2.90725 -0.00007 0.00013 -0.00016 -0.00003 2.90722 R32 2.05379 0.00003 -0.00004 0.00008 0.00004 2.05383 R33 2.05292 0.00001 -0.00003 0.00004 0.00001 2.05294 R34 2.89037 -0.00002 -0.00001 -0.00003 -0.00005 2.89032 R35 2.05538 0.00002 -0.00008 0.00010 0.00002 2.05540 R36 2.05630 0.00002 0.00003 0.00003 0.00005 2.05636 R37 2.89148 -0.00002 0.00016 -0.00009 0.00006 2.89155 R38 2.05293 0.00004 -0.00007 0.00012 0.00005 2.05298 R39 2.05862 0.00002 -0.00004 0.00006 0.00001 2.05864 R40 2.05635 0.00002 -0.00005 0.00005 0.00000 2.05636 R41 2.05594 0.00002 -0.00004 0.00007 0.00003 2.05596 R42 2.88813 -0.00002 0.00004 -0.00003 0.00001 2.88814 R43 2.05246 0.00001 -0.00001 0.00003 0.00002 2.05248 R44 2.05308 0.00001 -0.00001 0.00002 0.00002 2.05310 R45 2.05176 0.00001 0.00000 0.00002 0.00002 2.05178 A1 1.95378 0.00000 -0.00011 0.00005 -0.00006 1.95372 A2 1.94943 -0.00001 0.00032 -0.00015 0.00017 1.94960 A3 1.92448 0.00000 -0.00013 0.00003 -0.00009 1.92438 A4 1.84893 0.00000 -0.00017 0.00005 -0.00012 1.84881 A5 1.93353 0.00001 0.00006 0.00012 0.00018 1.93371 A6 1.84986 -0.00001 0.00003 -0.00011 -0.00008 1.84979 A7 1.92340 0.00000 0.00002 -0.00002 0.00000 1.92340 A8 1.92378 0.00000 -0.00002 0.00005 0.00003 1.92381 A9 1.93115 0.00001 0.00033 -0.00003 0.00031 1.93145 A10 1.88572 -0.00000 -0.00008 -0.00000 -0.00009 1.88564 A11 1.90683 -0.00000 -0.00021 0.00002 -0.00020 1.90663 A12 1.89207 -0.00001 -0.00006 -0.00002 -0.00007 1.89199 A13 1.91074 -0.00000 -0.00006 0.00003 -0.00003 1.91070 A14 2.08925 -0.00003 0.00014 -0.00002 0.00012 2.08937 A15 2.20700 0.00002 -0.00022 0.00003 -0.00020 2.20681 A16 1.98693 0.00000 0.00008 -0.00001 0.00007 1.98700 A17 2.24480 -0.00004 0.00018 -0.00012 0.00005 2.24485 A18 2.02613 0.00002 -0.00003 0.00006 0.00003 2.02616 A19 2.01197 0.00002 -0.00007 0.00004 -0.00003 2.01194 A20 2.13587 -0.00002 -0.00018 -0.00004 -0.00023 2.13564 A21 1.99421 0.00004 -0.00017 0.00014 -0.00004 1.99418 A22 2.15305 -0.00002 0.00035 -0.00009 0.00026 2.15331 A23 2.05839 0.00004 0.00066 0.00005 0.00070 2.05909 A24 2.10794 -0.00003 -0.00071 0.00004 -0.00067 2.10727 A25 2.11561 -0.00001 0.00002 -0.00005 -0.00004 2.11556 A26 2.17371 -0.00001 0.00010 -0.00004 0.00006 2.17377 A27 1.99126 0.00007 -0.00033 0.00036 0.00004 1.99130 A28 2.11815 -0.00007 0.00022 -0.00032 -0.00010 2.11805 A29 2.05057 0.00002 -0.00015 0.00008 -0.00008 2.05050 A30 2.10701 0.00013 -0.00022 0.00033 0.00011 2.10712 A31 2.12551 -0.00015 0.00037 -0.00041 -0.00004 2.12547 A32 2.10373 -0.00012 0.00031 -0.00036 -0.00005 2.10369 A33 2.11959 0.00010 -0.00022 0.00028 0.00005 2.11964 A34 2.05961 0.00002 -0.00009 0.00009 -0.00000 2.05961 A35 2.11207 0.00002 -0.00001 0.00004 0.00003 2.11211 A36 2.08969 -0.00004 0.00022 -0.00022 0.00000 2.08969 A37 2.08132 0.00003 -0.00021 0.00018 -0.00003 2.08129 A38 2.11439 -0.00004 0.00004 -0.00012 -0.00007 2.11432 A39 2.07942 -0.00001 -0.00006 0.00001 -0.00005 2.07937 A40 2.08934 0.00004 0.00001 0.00011 0.00013 2.08947 A41 2.05362 0.00002 0.00001 0.00006 0.00007 2.05369 A42 2.10672 0.00011 -0.00009 0.00033 0.00024 2.10696 A43 2.12280 -0.00013 0.00008 -0.00040 -0.00032 2.12248 A44 2.12023 0.00001 -0.00005 0.00004 -0.00001 2.12022 A45 2.08626 -0.00002 0.00005 -0.00010 -0.00004 2.08622 A46 2.07669 0.00001 -0.00000 0.00006 0.00006 2.07675 A47 2.10632 -0.00002 0.00010 -0.00012 -0.00002 2.10630 A48 2.09085 0.00002 -0.00010 0.00009 -0.00001 2.09084 A49 2.08600 0.00001 -0.00000 0.00003 0.00002 2.08602 A50 1.99626 0.00004 0.00006 -0.00003 0.00003 1.99628 A51 1.89993 0.00000 0.00015 0.00008 0.00023 1.90016 A52 1.90831 -0.00002 0.00003 -0.00009 -0.00006 1.90825 A53 1.89343 -0.00001 -0.00007 0.00014 0.00006 1.89349 A54 1.90436 -0.00001 -0.00031 0.00005 -0.00027 1.90410 A55 1.85640 -0.00000 0.00016 -0.00015 0.00001 1.85641 A56 1.99589 -0.00006 0.00016 -0.00026 -0.00011 1.99578 A57 1.90610 0.00004 0.00002 0.00008 0.00010 1.90620 A58 1.88661 0.00001 -0.00029 0.00026 -0.00003 1.88658 A59 1.91037 -0.00001 0.00028 -0.00030 -0.00001 1.91036 A60 1.90371 0.00004 -0.00017 0.00029 0.00013 1.90384 A61 1.85591 -0.00002 -0.00003 -0.00005 -0.00008 1.85583 A62 1.97061 0.00000 -0.00024 0.00021 -0.00003 1.97058 A63 1.91547 -0.00001 0.00030 -0.00026 0.00005 1.91551 A64 1.90591 0.00001 -0.00004 0.00009 0.00005 1.90596 A65 1.90636 0.00001 -0.00006 0.00007 0.00001 1.90637 A66 1.90523 0.00000 0.00003 0.00004 0.00007 1.90529 A67 1.85677 -0.00001 0.00002 -0.00017 -0.00015 1.85662 A68 1.91036 -0.00000 0.00007 -0.00010 -0.00003 1.91032 A69 1.90704 0.00000 -0.00011 0.00007 -0.00003 1.90701 A70 1.97106 0.00001 -0.00004 0.00010 0.00006 1.97112 A71 1.85508 -0.00001 0.00007 -0.00013 -0.00006 1.85502 A72 1.90876 0.00000 0.00001 0.00002 0.00003 1.90879 A73 1.90793 -0.00000 0.00001 0.00003 0.00003 1.90796 A74 1.93954 0.00000 -0.00003 0.00002 -0.00001 1.93953 A75 1.93986 -0.00000 -0.00003 0.00001 -0.00002 1.93983 A76 1.94190 -0.00001 0.00005 -0.00004 0.00001 1.94191 A77 1.87893 0.00000 0.00002 -0.00000 0.00002 1.87895 A78 1.88085 0.00000 -0.00001 0.00001 0.00000 1.88085 A79 1.87997 0.00000 0.00000 0.00000 0.00001 1.87997 D1 -3.12425 0.00000 -0.00019 0.00012 -0.00007 -3.12432 D2 1.07913 0.00001 -0.00009 0.00011 0.00001 1.07914 D3 -1.01346 0.00001 -0.00023 0.00011 -0.00011 -1.01357 D4 -1.05412 0.00000 -0.00027 0.00012 -0.00015 -1.05426 D5 -3.13392 0.00000 -0.00017 0.00010 -0.00006 -3.13398 D6 1.05668 0.00000 -0.00030 0.00011 -0.00019 1.05649 D7 0.99794 -0.00001 -0.00011 -0.00008 -0.00019 0.99774 D8 -1.08187 -0.00001 -0.00001 -0.00010 -0.00011 -1.08197 D9 3.10873 -0.00001 -0.00014 -0.00009 -0.00023 3.10850 D10 -1.04561 0.00001 0.00376 0.00024 0.00400 -1.04161 D11 3.10878 0.00002 0.00354 0.00037 0.00390 3.11269 D12 1.11030 0.00002 0.00356 0.00041 0.00397 1.11426 D13 1.61341 0.00004 0.00530 0.00096 0.00626 1.61967 D14 -1.47519 0.00003 0.00651 0.00007 0.00658 -1.46862 D15 -2.53820 0.00003 0.00524 0.00096 0.00621 -2.53199 D16 0.65638 0.00002 0.00645 0.00007 0.00652 0.66290 D17 -0.48300 0.00004 0.00525 0.00107 0.00632 -0.47668 D18 2.71158 0.00003 0.00646 0.00018 0.00664 2.71821 D19 3.11614 -0.00002 0.00253 -0.00118 0.00135 3.11749 D20 0.00149 -0.00002 -0.00096 -0.00025 -0.00122 0.00027 D21 -0.02160 0.00001 0.00282 -0.00073 0.00209 -0.01951 D22 -3.13624 0.00001 -0.00068 0.00020 -0.00048 -3.13672 D23 -3.12043 0.00002 -0.00126 0.00098 -0.00028 -3.12071 D24 0.03581 0.00002 -0.00097 0.00062 -0.00035 0.03546 D25 0.01700 -0.00001 -0.00156 0.00049 -0.00108 0.01592 D26 -3.10995 -0.00001 -0.00127 0.00013 -0.00114 -3.11110 D27 -3.10330 0.00000 -0.00150 0.00022 -0.00127 -3.10457 D28 0.02746 -0.00001 -0.00215 0.00043 -0.00172 0.02573 D29 0.01153 0.00000 0.00198 -0.00070 0.00128 0.01281 D30 -3.14090 -0.00001 0.00132 -0.00050 0.00083 -3.14007 D31 -3.11730 -0.00001 0.00146 -0.00078 0.00068 -3.11662 D32 -0.02894 0.00001 0.00022 0.00012 0.00034 -0.02860 D33 0.01333 -0.00002 0.00079 -0.00057 0.00022 0.01355 D34 3.10169 -0.00001 -0.00044 0.00033 -0.00011 3.10158 D35 3.11671 0.00000 -0.00048 0.00062 0.00014 3.11685 D36 -0.03672 0.00000 -0.00083 0.00059 -0.00024 -0.03695 D37 0.02985 -0.00001 0.00075 -0.00030 0.00044 0.03030 D38 -3.12358 -0.00001 0.00040 -0.00033 0.00007 -3.12351 D39 -0.02269 0.00001 -0.00000 -0.00003 -0.00003 -0.02272 D40 3.10410 0.00002 -0.00030 0.00034 0.00004 3.10414 D41 3.13156 0.00001 0.00037 -0.00001 0.00036 3.13192 D42 -0.02484 0.00002 0.00007 0.00036 0.00043 -0.02441 D43 2.36603 -0.00001 -0.00117 0.00031 -0.00087 2.36517 D44 -0.80060 0.00001 -0.00122 0.00061 -0.00061 -0.80121 D45 -0.76028 -0.00001 -0.00086 -0.00007 -0.00094 -0.76122 D46 2.35627 0.00000 -0.00091 0.00023 -0.00068 2.35559 D47 3.09901 0.00001 0.00005 0.00005 0.00010 3.09910 D48 -0.05792 0.00001 -0.00043 0.00062 0.00020 -0.05772 D49 -0.01839 -0.00001 0.00010 -0.00025 -0.00015 -0.01854 D50 3.10787 -0.00001 -0.00038 0.00032 -0.00005 3.10782 D51 -3.10466 -0.00000 -0.00005 -0.00002 -0.00007 -3.10473 D52 0.04349 -0.00001 -0.00032 0.00015 -0.00017 0.04333 D53 0.01250 0.00001 -0.00009 0.00028 0.00018 0.01269 D54 -3.12253 0.00001 -0.00036 0.00045 0.00008 -3.12244 D55 0.01532 -0.00001 0.00002 -0.00015 -0.00014 0.01518 D56 -3.13516 0.00000 -0.00056 0.00063 0.00007 -3.13509 D57 -3.11101 -0.00001 0.00049 -0.00072 -0.00024 -3.11125 D58 0.02169 0.00000 -0.00009 0.00006 -0.00003 0.02166 D59 -0.00568 0.00002 -0.00014 0.00052 0.00038 -0.00529 D60 3.12536 0.00001 -0.00039 0.00045 0.00006 3.12542 D61 -3.13833 0.00001 0.00045 -0.00027 0.00018 -3.13815 D62 -0.00729 0.00001 0.00019 -0.00034 -0.00015 -0.00744 D63 -0.00019 -0.00001 0.00014 -0.00050 -0.00035 -0.00054 D64 -3.13953 -0.00002 -0.00013 -0.00032 -0.00045 -3.13998 D65 -3.13113 -0.00001 0.00040 -0.00043 -0.00003 -3.13115 D66 0.01272 -0.00001 0.00012 -0.00025 -0.00012 0.01260 D67 -1.30874 -0.00001 -0.00117 -0.00028 -0.00145 -1.31019 D68 0.81197 0.00001 -0.00112 -0.00007 -0.00118 0.81079 D69 2.83323 -0.00001 -0.00083 -0.00025 -0.00108 2.83216 D70 1.82187 -0.00002 -0.00143 -0.00035 -0.00179 1.82008 D71 -2.34060 0.00000 -0.00138 -0.00014 -0.00152 -2.34212 D72 -0.31934 -0.00001 -0.00109 -0.00032 -0.00141 -0.32075 D73 -0.00343 -0.00000 -0.00003 0.00010 0.00007 -0.00336 D74 3.13162 0.00000 0.00024 -0.00007 0.00017 3.13179 D75 3.13592 -0.00000 0.00025 -0.00008 0.00017 3.13609 D76 -0.01222 0.00000 0.00051 -0.00024 0.00027 -0.01195 D77 -1.15069 0.00002 0.00032 -0.00003 0.00029 -1.15040 D78 0.99642 -0.00000 0.00082 -0.00055 0.00027 0.99669 D79 3.00862 0.00000 0.00064 -0.00042 0.00022 3.00884 D80 3.00821 -0.00000 0.00015 -0.00021 -0.00007 3.00815 D81 -1.12786 -0.00002 0.00065 -0.00073 -0.00009 -1.12795 D82 0.88434 -0.00002 0.00047 -0.00061 -0.00014 0.88420 D83 0.99266 0.00001 0.00016 -0.00013 0.00003 0.99269 D84 3.13977 -0.00001 0.00066 -0.00065 0.00001 3.13978 D85 -1.13121 -0.00001 0.00048 -0.00053 -0.00004 -1.13126 D86 -3.11775 0.00000 0.00100 -0.00062 0.00038 -3.11737 D87 1.03422 -0.00001 0.00102 -0.00067 0.00035 1.03458 D88 -0.99484 0.00001 0.00085 -0.00037 0.00048 -0.99436 D89 1.02064 -0.00000 0.00064 -0.00031 0.00034 1.02098 D90 -1.11058 -0.00001 0.00066 -0.00036 0.00031 -1.11027 D91 -3.13964 0.00001 0.00049 -0.00005 0.00044 -3.13920 D92 -1.00329 0.00000 0.00061 -0.00025 0.00037 -1.00292 D93 -3.13450 -0.00001 0.00063 -0.00030 0.00034 -3.13416 D94 1.11962 0.00001 0.00046 0.00001 0.00047 1.12009 D95 1.00635 0.00000 -0.00034 0.00052 0.00018 1.00654 D96 -1.01845 0.00001 -0.00040 0.00070 0.00030 -1.01815 D97 3.13727 0.00001 -0.00030 0.00054 0.00024 3.13750 D98 -3.14051 -0.00000 -0.00016 0.00039 0.00023 -3.14028 D99 1.11787 0.00001 -0.00022 0.00056 0.00034 1.11821 D100 -1.00960 0.00000 -0.00012 0.00041 0.00028 -1.00931 D101 -1.11694 -0.00001 -0.00014 0.00024 0.00010 -1.11684 D102 3.14145 -0.00000 -0.00021 0.00041 0.00021 -3.14153 D103 1.01398 -0.00001 -0.00011 0.00026 0.00015 1.01413 D104 1.04288 0.00000 -0.00028 0.00027 -0.00001 1.04287 D105 -1.04928 0.00000 -0.00026 0.00025 -0.00001 -1.04929 D106 3.13884 0.00000 -0.00028 0.00027 -0.00001 3.13883 D107 -3.10850 0.00000 -0.00021 0.00022 0.00001 -3.10849 D108 1.08253 0.00000 -0.00020 0.00021 0.00001 1.08254 D109 -1.01254 0.00000 -0.00022 0.00023 0.00001 -1.01252 D110 -1.08409 -0.00000 -0.00012 0.00009 -0.00003 -1.08412 D111 3.10693 -0.00001 -0.00010 0.00007 -0.00003 3.10690 D112 1.01187 -0.00000 -0.00012 0.00009 -0.00003 1.01184 Item Value Threshold Converged? Maximum Force 0.000148 0.000450 YES RMS Force 0.000029 0.000300 YES Maximum Displacement 0.017527 0.001800 NO RMS Displacement 0.003427 0.001200 NO Predicted change in Energy=-9.015779D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.019170 -4.616357 2.465487 2 6 0 7.174565 -3.457140 3.437832 3 8 0 6.767966 -5.821761 3.126045 4 8 0 2.848127 -3.698553 -0.926194 5 6 0 3.706474 -3.949847 -0.133856 6 7 0 5.026162 -3.635662 -0.426546 7 6 0 6.137864 -3.815773 0.347813 8 8 0 7.228760 -3.466618 -0.004831 9 7 0 5.891070 -4.413398 1.558170 10 6 0 4.610855 -4.755159 1.938288 11 6 0 3.523015 -4.578059 1.182328 12 1 0 7.892594 -4.697955 1.839449 13 1 0 7.350685 -2.535743 2.896329 14 1 0 8.022816 -3.628838 4.094480 15 1 0 5.188623 -3.203076 -1.311545 16 1 0 4.547402 -5.197948 2.909732 17 6 0 2.175133 -5.012842 1.635515 18 1 0 6.285056 -3.348222 4.048864 19 1 0 7.486114 -6.016122 3.712643 20 6 0 1.999451 -6.252157 2.244033 21 6 0 0.759313 -6.645999 2.714444 22 6 0 -0.354451 -5.825698 2.579092 23 6 0 -0.177248 -4.593555 1.960528 24 6 0 1.061615 -4.190779 1.493994 25 1 0 2.835144 -6.922831 2.339616 26 1 0 0.658923 -7.608908 3.185671 27 6 0 -1.712162 -6.275291 3.079037 28 1 0 -1.019134 -3.933905 1.841323 29 1 0 1.160865 -3.236813 1.013261 30 6 0 -2.398138 -7.329194 2.192749 31 6 0 -2.789199 -6.825949 0.802365 32 1 0 -1.600206 -6.686002 4.079037 33 1 0 -2.364484 -5.411787 3.174059 34 1 0 -1.745809 -8.194002 2.094780 35 1 0 -3.290697 -7.676162 2.709548 36 6 0 -3.498508 -7.889671 -0.038293 37 1 0 -1.904147 -6.483533 0.273517 38 1 0 -3.440302 -5.958633 0.905247 39 1 0 -4.386627 -8.234379 0.487590 40 1 0 -2.849578 -8.756742 -0.142012 41 6 0 -3.894674 -7.385796 -1.425729 42 1 0 -3.023370 -7.064865 -1.989198 43 1 0 -4.572425 -6.539480 -1.356552 44 1 0 -4.392602 -8.161792 -1.999111 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520982 0.000000 3 O 1.397297 2.419497 0.000000 4 O 5.453757 6.149884 6.024433 0.000000 5 C 4.263188 5.002736 4.848066 1.194867 0.000000 6 N 3.646601 4.425033 4.520377 2.235496 1.387788 7 C 2.429440 3.278961 3.484191 3.529760 2.482264 8 O 2.732819 3.443103 3.944796 4.482483 3.557619 9 N 1.461857 2.468789 2.282687 3.992815 2.801837 10 C 2.469248 3.241310 2.683567 3.525463 2.400045 11 C 3.724388 4.435941 3.981775 2.382199 1.469915 12 H 1.077706 2.147094 2.045252 5.839027 4.687985 13 H 2.150461 1.083151 3.345182 6.019705 4.945906 14 H 2.153165 1.086369 2.705814 7.210370 6.050841 15 H 4.428796 5.154134 5.389252 2.423203 2.035038 16 H 2.577836 3.195510 2.316643 4.455339 3.395342 17 C 4.930593 5.537406 4.895931 2.956793 2.570143 18 H 2.157353 1.084642 2.683876 6.056931 4.950372 19 H 1.932040 2.592484 0.947423 6.957073 5.775009 20 C 5.284171 6.001590 4.868462 4.158303 3.724100 21 C 6.585381 7.200526 6.078873 5.128823 4.905896 22 C 7.472999 7.939369 7.143388 5.202719 5.231637 23 C 7.214148 7.584393 7.148630 4.276340 4.459159 24 C 6.051230 6.456384 6.155171 3.048151 3.115000 25 H 4.779304 5.661066 4.159076 4.589297 3.964331 26 H 7.065888 7.730093 6.365363 6.082016 5.804787 27 C 8.908685 9.329770 8.492376 6.593761 6.715057 28 H 8.091332 8.361390 8.115012 4.761328 5.121812 29 H 6.191272 6.487810 6.525749 2.611808 2.881740 30 C 9.804059 10.400946 9.335998 7.101595 7.355227 31 C 10.190799 10.843023 9.886722 6.674426 7.165351 32 H 9.010029 9.371942 8.466487 7.332452 7.307248 33 H 9.443927 9.740825 9.141774 6.849712 7.066549 34 H 9.474272 10.188951 8.898056 7.102083 7.259963 35 H 10.757107 11.307177 10.236649 8.168547 8.422042 36 C 11.296241 12.068358 10.940282 7.657259 8.212376 37 H 9.376389 10.079432 9.153163 5.637333 6.169651 38 H 10.660047 11.195841 10.447938 6.928670 7.496090 39 H 12.128247 12.852513 11.713544 8.655297 9.178328 40 H 11.015173 11.890522 10.573148 7.659246 8.129461 41 C 11.913159 12.712853 11.698579 7.701342 8.441099 42 H 11.255755 12.102322 11.116711 6.851022 7.644372 43 H 12.356030 13.056750 12.215288 7.957428 8.760215 44 H 12.756618 13.619598 12.502049 8.573203 9.317440 6 7 8 9 10 6 N 0.000000 7 C 1.366730 0.000000 8 O 2.248968 1.198467 0.000000 9 N 2.300443 1.372235 2.264682 0.000000 10 C 2.649188 2.396625 3.505635 1.378491 0.000000 11 C 2.395003 2.848671 4.046875 2.403342 1.336501 12 H 3.805211 2.466232 2.314787 2.041125 3.283725 13 H 4.201753 3.099088 3.049283 2.728871 3.653809 14 H 5.423989 4.198274 4.178659 3.404812 4.190374 15 H 0.998372 2.007468 2.437030 3.192739 3.647492 16 H 3.714929 3.317138 4.322252 2.060990 1.069482 17 C 3.778503 4.335249 5.533596 3.764770 2.467957 18 H 4.657975 3.733369 4.163777 2.737404 3.039235 19 H 5.371298 4.240448 4.515066 3.123242 3.606310 20 C 4.810304 5.163146 6.337373 4.358456 3.025544 21 C 6.093764 6.522264 7.704329 5.714578 4.360284 22 C 6.540728 7.153220 8.351468 6.484088 5.119663 23 C 5.804408 6.564025 7.744777 6.084309 4.790881 24 C 4.440075 5.217534 6.387846 4.835009 3.621192 25 H 4.822623 4.952681 6.061824 4.030706 2.830727 26 H 6.921529 7.242934 8.396465 6.343137 5.031661 27 C 8.041254 8.667855 9.866052 7.974259 6.602473 28 H 6.463574 7.312123 8.464892 6.932604 5.690399 29 H 4.143990 5.054556 6.157002 4.904704 3.881171 30 C 8.696156 9.413354 10.603114 8.809967 7.471037 31 C 8.530418 9.431873 10.596989 9.040946 7.767837 32 H 8.574008 9.057481 10.246612 8.224275 6.847499 33 H 8.410745 9.100816 10.291714 8.471248 7.114327 34 H 8.543720 9.185482 10.358544 8.538315 7.228922 35 H 9.763754 10.458401 11.651056 9.812041 8.459411 36 C 9.535058 10.469259 11.603396 10.138902 8.915930 37 H 7.525267 8.473275 9.622331 8.167080 6.942909 38 H 8.879802 9.830760 10.993965 9.480957 8.205892 39 H 10.515914 11.415276 12.565478 11.017127 9.755213 40 H 9.398601 10.267775 11.383195 9.907279 8.717705 41 C 9.728474 10.795478 11.878961 10.653619 9.517400 42 H 8.887985 9.997320 11.044965 9.953960 8.890516 43 H 10.071244 11.181848 12.269377 11.067997 9.918287 44 H 10.567494 11.631279 12.691646 11.509066 10.400505 11 12 13 14 15 11 C 0.000000 12 H 4.420340 0.000000 13 H 4.664753 2.466946 0.000000 14 H 5.443332 2.499026 1.755614 0.000000 15 H 3.299126 4.413037 4.777663 6.118745 0.000000 16 H 2.101798 3.547648 3.865994 3.993024 4.712734 17 C 1.487010 5.729756 5.874692 6.492871 4.587105 18 H 4.166341 3.047535 1.767491 1.760863 5.473319 19 H 4.916978 2.326295 3.577394 2.476485 6.199530 20 C 2.500213 6.108058 6.547743 6.825459 5.666555 21 C 3.776481 7.446086 7.770038 7.985377 6.905150 22 C 4.306077 8.356592 8.384126 8.792111 7.262291 23 C 3.781240 8.071425 7.860031 8.527923 6.436805 24 C 2.511098 6.858487 6.652676 7.452290 5.087121 25 H 2.703782 5.547796 6.320331 6.390765 5.718953 26 H 4.626278 7.912771 8.402404 8.419846 7.755932 27 C 5.821097 9.812028 9.805753 10.139262 8.737078 28 H 4.634687 8.944421 8.551127 9.323446 7.000781 29 H 2.721632 6.937846 6.507790 7.532196 4.650666 30 C 6.606795 10.627672 10.886310 11.220762 9.320079 31 C 6.711291 10.940960 11.207489 11.745604 9.013294 32 H 6.251538 9.953961 9.936896 10.096982 9.342234 33 H 6.270944 10.368143 10.135743 10.579324 9.058061 34 H 6.455085 10.256040 10.742653 10.966566 9.197757 35 H 7.639196 11.605723 11.819383 12.095225 10.395988 36 C 7.858656 11.977903 12.449159 12.960533 9.952466 37 H 5.823303 10.080504 10.397890 11.013339 7.973782 38 H 7.104262 11.441004 11.494607 12.124448 9.325535 39 H 8.741497 12.849634 13.268044 13.719145 10.965231 40 H 7.734676 11.653077 12.327924 12.745675 9.839903 41 C 8.349100 12.523002 12.986968 13.660675 10.000723 42 H 7.687518 11.807585 12.328923 13.070411 9.099969 43 H 8.707998 12.999321 13.276953 14.029458 10.315603 44 H 9.253199 13.328869 13.911239 14.554111 10.810249 16 17 18 19 20 16 H 0.000000 17 C 2.699176 0.000000 18 H 2.781825 5.048433 0.000000 19 H 3.154378 5.790298 2.945043 0.000000 20 C 2.836647 1.391783 5.482396 5.684716 0.000000 21 C 4.060125 2.415748 6.571898 6.829568 1.383597 22 C 4.952935 2.819552 7.237484 7.924371 2.415572 23 C 4.856809 2.411458 6.904590 7.988787 2.751246 24 C 3.894793 1.391308 5.875508 7.037646 2.385660 25 H 2.496414 2.139960 5.253689 4.933442 1.075789 26 H 4.583573 3.382519 7.109987 7.030305 2.127080 27 C 6.353855 4.334581 8.571102 9.223714 3.804449 28 H 5.807377 3.377840 7.652937 8.954144 3.827312 29 H 4.348711 2.137807 5.956898 7.417547 3.363083 30 C 7.300466 5.156628 9.730938 10.086261 4.527850 31 C 7.804941 5.350336 10.245801 10.710163 5.033767 32 H 6.432314 4.798276 8.562654 9.118343 4.063617 33 H 6.920244 4.809824 8.935219 9.883803 4.540385 34 H 7.017478 5.069960 9.580962 9.622320 4.221376 35 H 8.222981 6.174312 10.593389 10.949958 5.498196 36 C 8.981809 6.577840 11.534632 11.757619 6.173979 37 H 7.086949 4.545162 9.547065 10.011146 4.378874 38 H 8.270430 5.741161 10.548894 11.281460 5.609761 39 H 9.741846 7.399509 12.265481 12.501344 6.913486 40 H 8.757481 6.513380 11.413022 11.366437 5.956445 41 C 9.739177 7.200326 12.243369 12.561895 7.035127 42 H 9.208772 6.661364 11.701214 12.002504 6.618872 43 H 10.157369 7.537416 12.541433 13.091180 7.499088 44 H 10.620960 8.140119 13.181837 13.354098 7.906284 21 22 23 24 25 21 C 0.000000 22 C 1.389850 0.000000 23 C 2.378668 1.390036 0.000000 24 C 2.758440 2.419843 1.383713 0.000000 25 H 2.127488 3.381503 3.826713 3.365202 0.000000 26 H 1.076720 2.138856 3.360433 3.835040 2.433607 27 C 2.525577 1.515076 2.536781 3.814628 4.652315 28 H 3.358670 2.136583 1.076160 2.125121 4.902798 29 H 3.831164 3.383835 2.128053 1.072850 4.260183 30 C 3.272372 2.566401 3.531289 4.723113 5.251089 31 C 4.034893 3.175729 3.625909 4.717122 5.831446 32 H 2.725993 2.131165 3.300186 4.471451 4.770115 33 H 3.390078 2.136713 2.631761 4.006449 5.478656 34 H 3.009308 2.789139 3.929584 4.926293 4.760352 35 H 4.178976 3.473151 4.444892 5.706846 6.183064 36 C 5.220471 4.582115 5.088265 6.068313 6.834060 37 H 3.616426 2.854816 3.065975 3.942338 5.188701 38 H 4.624114 3.513104 3.691149 4.872287 6.509094 39 H 5.827738 5.141456 5.757085 6.859073 7.569949 40 H 5.063464 4.713924 5.375328 6.230727 6.468212 41 C 6.272793 5.568274 5.751749 6.580100 7.725452 42 H 6.050486 5.433961 5.459681 6.089342 7.285670 43 H 6.709082 5.812923 5.840140 6.736796 8.287381 44 H 7.145450 6.536355 6.795607 7.597316 8.520557 26 27 28 29 30 26 H 0.000000 27 C 2.722490 0.000000 28 H 4.257792 2.737574 0.000000 29 H 4.907803 4.664125 2.433931 0.000000 30 C 3.226416 1.538435 3.681459 5.550250 0.000000 31 C 4.264120 2.578074 3.546334 5.341290 1.529494 32 H 2.598754 1.086838 3.594307 5.377676 2.146735 33 H 3.737441 1.086367 2.402142 4.672007 2.154193 34 H 2.704647 2.156698 4.329055 5.847406 1.087669 35 H 3.978784 2.142601 4.462992 6.511652 1.088177 36 C 5.268492 3.938909 5.032727 6.668179 2.549999 37 H 4.039361 2.819781 3.121196 4.525783 2.154674 38 H 4.972664 2.795014 3.292083 5.347028 2.149931 39 H 5.755731 4.207896 5.627315 7.485096 2.771465 40 H 4.969967 4.222140 5.526653 6.920110 2.773589 41 C 6.484600 5.127329 5.554990 6.980058 3.916147 42 H 6.374522 5.294308 5.337861 6.416896 4.236681 43 H 7.010169 5.284444 5.444383 7.028103 4.236591 44 H 7.259859 6.044107 6.633570 8.010668 4.716227 31 32 33 34 35 31 C 0.000000 32 H 3.488533 0.000000 33 H 2.793773 1.739750 0.000000 34 H 2.151875 2.496505 3.047674 0.000000 35 H 2.147489 2.390330 2.490187 1.741487 0.000000 36 C 1.530141 4.690924 4.212496 2.777511 2.763947 37 H 1.086392 3.823003 3.126290 2.503551 3.046167 38 H 1.089384 3.740048 2.569811 3.046829 2.495554 39 H 2.152797 4.802094 4.390126 3.091700 2.539639 40 H 2.150222 4.864786 4.735014 2.556994 3.081174 41 C 2.549492 6.004727 5.234142 4.202951 4.189226 42 H 2.811537 6.244390 5.461320 4.425605 4.745878 43 H 2.814761 6.196868 5.164603 4.758034 4.412260 44 H 3.493372 6.849767 6.199796 4.875089 4.860195 36 37 38 39 40 36 C 0.000000 37 H 2.148590 0.000000 38 H 2.150016 1.741946 0.000000 39 H 1.088178 3.045323 2.499798 0.000000 40 H 1.087970 2.496794 3.045508 1.741200 0.000000 41 C 1.528338 2.768342 2.770686 2.150093 2.149337 42 H 2.170736 2.590461 3.126563 3.059528 2.510926 43 H 2.171202 3.127294 2.595153 2.511585 3.059339 44 H 2.172156 3.764811 3.767769 2.487767 2.486706 41 42 43 44 41 C 0.000000 42 H 1.086125 0.000000 43 H 1.086454 1.753808 0.000000 44 H 1.085757 1.754465 1.754170 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.790276 -0.965724 0.540714 2 6 0 -5.358347 -1.517183 -0.757968 3 8 0 -4.242708 -1.972470 1.340132 4 8 0 -0.834799 2.641304 -0.501887 5 6 0 -1.637429 1.789621 -0.260786 6 7 0 -2.964211 2.135614 -0.046554 7 6 0 -4.027729 1.317677 0.213942 8 8 0 -5.142647 1.737229 0.345316 9 7 0 -3.707752 -0.014187 0.296288 10 6 0 -2.417023 -0.452765 0.091573 11 6 0 -1.376722 0.346208 -0.164658 12 1 0 -5.548883 -0.420597 1.078117 13 1 0 -5.758967 -0.712625 -1.362458 14 1 0 -6.164673 -2.214586 -0.549009 15 1 0 -3.179747 3.108483 -0.108339 16 1 0 -2.299286 -1.513148 0.165837 17 6 0 0.000503 -0.189800 -0.329415 18 1 0 -4.591426 -2.038930 -1.320163 19 1 0 -4.913111 -2.607689 1.551476 20 6 0 0.490321 -1.160026 0.539953 21 6 0 1.751508 -1.701794 0.366067 22 6 0 2.577082 -1.282839 -0.670557 23 6 0 2.088725 -0.305447 -1.529867 24 6 0 0.825792 0.235554 -1.365615 25 1 0 -0.112228 -1.486465 1.369226 26 1 0 2.097845 -2.455017 1.053112 27 6 0 3.964482 -1.867631 -0.839663 28 1 0 2.702268 0.039958 -2.343735 29 1 0 0.483935 0.994929 -2.041995 30 6 0 4.999371 -1.350871 0.174608 31 6 0 5.328239 0.136564 0.037740 32 1 0 3.903572 -2.948996 -0.749348 33 1 0 4.320445 -1.664072 -1.845668 34 1 0 4.644017 -1.552059 1.182710 35 1 0 5.912320 -1.929928 0.050721 36 6 0 6.384750 0.607541 1.039387 37 1 0 4.424715 0.725745 0.167189 38 1 0 5.681302 0.333879 -0.973779 39 1 0 7.292102 0.020505 0.911986 40 1 0 6.033746 0.411150 2.050280 41 6 0 6.718062 2.092513 0.899463 42 1 0 5.836681 2.707892 1.054844 43 1 0 7.105327 2.315627 -0.090803 44 1 0 7.467161 2.397865 1.623672 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6064392 0.1065718 0.0967991 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.7422833092 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.84D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 0.000351 0.000041 0.000005 Ang= 0.04 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -990.116179929 A.U. after 9 cycles NFock= 9 Conv=0.51D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000056820 -0.000097290 0.000085444 2 6 -0.000025685 -0.000008019 -0.000009636 3 8 0.000042353 0.000017970 -0.000049078 4 8 0.000033917 0.000018792 -0.000004236 5 6 -0.000112799 -0.000032774 0.000111957 6 7 0.000136039 -0.000044022 -0.000076852 7 6 -0.000126574 -0.000034386 -0.000026080 8 8 0.000049090 0.000006324 -0.000002495 9 7 -0.000124907 0.000124455 -0.000000450 10 6 0.000127958 0.000006806 0.000029690 11 6 0.000009266 0.000001429 -0.000156211 12 1 -0.000009285 0.000022939 -0.000014902 13 1 0.000002168 -0.000000357 -0.000003496 14 1 0.000004033 0.000000625 0.000006387 15 1 0.000000124 0.000010300 0.000022112 16 1 -0.000052653 -0.000024558 0.000008246 17 6 -0.000128575 0.000126815 0.000079926 18 1 0.000000484 -0.000000886 0.000000313 19 1 -0.000008066 -0.000001336 0.000023223 20 6 -0.000065835 -0.000035917 0.000028937 21 6 0.000046116 0.000022791 -0.000013801 22 6 0.000049880 -0.000006378 0.000012401 23 6 -0.000030193 -0.000014704 0.000010255 24 6 0.000108019 -0.000061630 -0.000015130 25 1 0.000043157 0.000008848 -0.000018946 26 1 0.000006021 0.000000004 -0.000011680 27 6 -0.000040087 -0.000021761 -0.000106027 28 1 0.000007969 -0.000015031 0.000004312 29 1 -0.000007193 -0.000006586 -0.000001278 30 6 -0.000011352 0.000062968 0.000063539 31 6 -0.000037466 -0.000076649 -0.000003460 32 1 -0.000010007 0.000003100 0.000019592 33 1 0.000011475 0.000019261 0.000016865 34 1 0.000007795 -0.000018619 -0.000025073 35 1 0.000011472 -0.000019540 0.000008376 36 6 0.000024407 0.000071201 -0.000017781 37 1 0.000019962 0.000014884 0.000000149 38 1 -0.000004541 0.000016145 -0.000009668 39 1 -0.000009916 -0.000013410 0.000009664 40 1 -0.000001914 -0.000018819 0.000002885 41 6 0.000007106 -0.000004026 0.000017798 42 1 0.000003117 0.000001339 -0.000002378 43 1 -0.000002134 0.000004071 -0.000000708 44 1 0.000000437 -0.000004371 0.000007294 ------------------------------------------------------------------- Cartesian Forces: Max 0.000156211 RMS 0.000046788 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000123492 RMS 0.000024526 Search for a local minimum. Step number 24 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 20 21 22 23 24 DE= -1.25D-06 DEPred=-9.02D-07 R= 1.38D+00 TightC=F SS= 1.41D+00 RLast= 1.83D-02 DXNew= 1.3131D+00 5.4777D-02 Trust test= 1.38D+00 RLast= 1.83D-02 DXMaxT set to 7.81D-01 ITU= 1 1 1 1 1 1 1 1 1 1 0 0 -1 -1 1 -1 1 1 1 1 ITU= 0 1 1 0 Eigenvalues --- 0.00214 0.00233 0.00242 0.00267 0.00289 Eigenvalues --- 0.00301 0.00363 0.00694 0.01473 0.01498 Eigenvalues --- 0.01549 0.01572 0.01720 0.01828 0.01882 Eigenvalues --- 0.02019 0.02059 0.02129 0.02196 0.02356 Eigenvalues --- 0.02439 0.02476 0.02515 0.02598 0.02646 Eigenvalues --- 0.03421 0.03434 0.03634 0.04325 0.04700 Eigenvalues --- 0.04764 0.04794 0.05209 0.05345 0.05430 Eigenvalues --- 0.05454 0.05508 0.05597 0.05813 0.06034 Eigenvalues --- 0.06516 0.08364 0.08366 0.08628 0.08699 Eigenvalues --- 0.09819 0.12240 0.12252 0.12385 0.13101 Eigenvalues --- 0.14338 0.15811 0.15963 0.15983 0.15999 Eigenvalues --- 0.16002 0.16005 0.16025 0.16032 0.16105 Eigenvalues --- 0.16197 0.16208 0.16557 0.18687 0.20377 Eigenvalues --- 0.21010 0.21659 0.21824 0.22000 0.22075 Eigenvalues --- 0.22622 0.23051 0.23294 0.24023 0.24370 Eigenvalues --- 0.24839 0.24990 0.25118 0.25902 0.27065 Eigenvalues --- 0.28108 0.28207 0.28412 0.28916 0.29305 Eigenvalues --- 0.30398 0.31727 0.32782 0.33486 0.33535 Eigenvalues --- 0.33631 0.33676 0.33695 0.33700 0.33732 Eigenvalues --- 0.33737 0.33749 0.33765 0.33781 0.33795 Eigenvalues --- 0.33866 0.34031 0.34484 0.34727 0.35032 Eigenvalues --- 0.37576 0.37738 0.38168 0.38385 0.39192 Eigenvalues --- 0.40853 0.43729 0.44039 0.46523 0.49053 Eigenvalues --- 0.49985 0.51613 0.52458 0.53528 0.54617 Eigenvalues --- 0.55941 0.56834 0.59460 0.60335 0.88412 Eigenvalues --- 0.91446 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 24 23 22 21 20 19 18 17 RFO step: Lambda=-1.19611005D-06. DIIS inversion failure, remove point 8. RFO-DIIS uses 7 points instead of 8 DidBck=F Rises=F RFO-DIIS coefs: 2.41290 -2.00000 0.76929 -0.16472 0.02201 RFO-DIIS coefs: -0.03491 -0.00458 0.00000 Iteration 1 RMS(Cart)= 0.00335060 RMS(Int)= 0.00000642 Iteration 2 RMS(Cart)= 0.00000849 RMS(Int)= 0.00000020 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000020 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87424 -0.00001 0.00008 -0.00002 0.00006 2.87430 R2 2.64051 -0.00003 0.00012 -0.00002 0.00009 2.64060 R3 2.76251 0.00008 -0.00041 0.00021 -0.00020 2.76231 R4 2.03657 -0.00000 -0.00004 -0.00002 -0.00006 2.03651 R5 2.04686 0.00000 0.00007 -0.00001 0.00006 2.04692 R6 2.05294 0.00001 0.00001 0.00001 0.00002 2.05296 R7 2.04968 -0.00000 0.00003 -0.00002 0.00001 2.04969 R8 1.79037 0.00001 0.00004 0.00000 0.00004 1.79041 R9 2.25797 -0.00002 0.00001 -0.00002 -0.00001 2.25797 R10 2.62254 0.00008 -0.00009 0.00011 0.00002 2.62256 R11 2.77774 -0.00006 0.00002 -0.00006 -0.00004 2.77770 R12 2.58275 -0.00005 0.00012 -0.00005 0.00007 2.58281 R13 1.88665 -0.00002 -0.00002 0.00000 -0.00002 1.88663 R14 2.26477 0.00005 0.00001 -0.00001 0.00000 2.26477 R15 2.59315 0.00000 -0.00002 0.00004 0.00001 2.59316 R16 2.60497 -0.00007 0.00014 -0.00010 0.00005 2.60502 R17 2.52562 0.00002 -0.00010 0.00006 -0.00004 2.52558 R18 2.02103 0.00002 0.00004 -0.00000 0.00004 2.02106 R19 2.81004 0.00001 0.00004 0.00002 0.00006 2.81011 R20 2.63009 -0.00000 0.00006 0.00006 0.00012 2.63020 R21 2.62919 -0.00012 -0.00015 -0.00007 -0.00022 2.62897 R22 2.61462 -0.00006 -0.00006 -0.00005 -0.00011 2.61451 R23 2.03295 0.00003 -0.00000 0.00001 0.00001 2.03295 R24 2.62644 -0.00001 0.00002 0.00002 0.00004 2.62647 R25 2.03471 -0.00001 -0.00003 0.00001 -0.00003 2.03468 R26 2.62679 -0.00002 -0.00008 0.00000 -0.00008 2.62671 R27 2.86308 0.00002 -0.00006 0.00007 0.00001 2.86309 R28 2.61484 0.00001 0.00006 0.00003 0.00009 2.61493 R29 2.03365 -0.00002 -0.00002 -0.00001 -0.00003 2.03362 R30 2.02739 -0.00001 0.00003 -0.00002 0.00001 2.02740 R31 2.90722 -0.00004 -0.00013 0.00000 -0.00013 2.90709 R32 2.05383 0.00002 0.00006 -0.00000 0.00006 2.05389 R33 2.05294 0.00001 0.00002 -0.00001 0.00001 2.05294 R34 2.89032 -0.00001 -0.00006 0.00003 -0.00003 2.89029 R35 2.05540 0.00002 0.00004 -0.00001 0.00003 2.05543 R36 2.05636 0.00000 0.00005 -0.00002 0.00003 2.05639 R37 2.89155 -0.00004 -0.00002 -0.00005 -0.00007 2.89148 R38 2.05298 0.00002 0.00008 -0.00002 0.00006 2.05305 R39 2.05864 0.00001 0.00003 -0.00000 0.00003 2.05866 R40 2.05636 0.00002 0.00002 0.00001 0.00003 2.05639 R41 2.05596 0.00001 0.00004 -0.00001 0.00003 2.05600 R42 2.88814 -0.00002 -0.00003 -0.00002 -0.00004 2.88810 R43 2.05248 0.00000 0.00002 -0.00001 0.00001 2.05249 R44 2.05310 0.00000 0.00002 -0.00000 0.00001 2.05312 R45 2.05178 -0.00000 0.00001 -0.00001 0.00001 2.05179 A1 1.95372 0.00001 0.00000 0.00001 0.00001 1.95373 A2 1.94960 -0.00003 0.00001 0.00002 0.00003 1.94963 A3 1.92438 0.00001 0.00004 -0.00012 -0.00008 1.92430 A4 1.84881 0.00002 -0.00029 0.00041 0.00012 1.84893 A5 1.93371 -0.00001 0.00032 -0.00024 0.00008 1.93379 A6 1.84979 -0.00000 -0.00009 -0.00008 -0.00017 1.84962 A7 1.92340 -0.00000 -0.00001 -0.00003 -0.00005 1.92336 A8 1.92381 0.00000 0.00001 0.00009 0.00010 1.92391 A9 1.93145 -0.00000 0.00030 -0.00004 0.00026 1.93172 A10 1.88564 -0.00000 -0.00007 -0.00000 -0.00007 1.88556 A11 1.90663 0.00000 -0.00017 -0.00000 -0.00017 1.90646 A12 1.89199 -0.00000 -0.00007 -0.00001 -0.00008 1.89191 A13 1.91070 0.00002 -0.00006 0.00019 0.00012 1.91083 A14 2.08937 -0.00003 0.00013 -0.00009 0.00003 2.08941 A15 2.20681 0.00005 -0.00019 0.00014 -0.00004 2.20676 A16 1.98700 -0.00002 0.00006 -0.00005 0.00001 1.98700 A17 2.24485 -0.00003 -0.00001 0.00001 0.00000 2.24485 A18 2.02616 0.00002 0.00008 -0.00001 0.00006 2.02622 A19 2.01194 0.00001 -0.00003 -0.00002 -0.00005 2.01190 A20 2.13564 0.00000 -0.00020 0.00004 -0.00016 2.13548 A21 1.99418 0.00003 -0.00001 0.00002 0.00001 1.99419 A22 2.15331 -0.00003 0.00021 -0.00006 0.00015 2.15345 A23 2.05909 0.00000 0.00067 -0.00000 0.00066 2.05975 A24 2.10727 -0.00000 -0.00064 0.00009 -0.00055 2.10672 A25 2.11556 -0.00000 -0.00001 -0.00004 -0.00005 2.11552 A26 2.17377 -0.00001 0.00000 0.00006 0.00007 2.17384 A27 1.99130 0.00006 0.00015 0.00004 0.00019 1.99149 A28 2.11805 -0.00005 -0.00015 -0.00010 -0.00026 2.11779 A29 2.05050 0.00002 -0.00001 -0.00000 -0.00001 2.05049 A30 2.10712 0.00010 0.00001 0.00017 0.00018 2.10731 A31 2.12547 -0.00012 -0.00001 -0.00017 -0.00017 2.12530 A32 2.10369 -0.00011 -0.00002 -0.00017 -0.00019 2.10350 A33 2.11964 0.00008 -0.00004 0.00016 0.00013 2.11977 A34 2.05961 0.00003 0.00006 -0.00000 0.00006 2.05967 A35 2.11211 0.00001 0.00002 0.00001 0.00003 2.11214 A36 2.08969 -0.00004 -0.00007 -0.00009 -0.00016 2.08953 A37 2.08129 0.00004 0.00005 0.00008 0.00013 2.08142 A38 2.11432 -0.00002 -0.00010 0.00001 -0.00009 2.11423 A39 2.07937 0.00000 -0.00005 0.00004 -0.00002 2.07935 A40 2.08947 0.00002 0.00016 -0.00005 0.00011 2.08958 A41 2.05369 0.00000 0.00009 -0.00004 0.00005 2.05374 A42 2.10696 0.00005 0.00031 -0.00007 0.00024 2.10720 A43 2.12248 -0.00005 -0.00040 0.00011 -0.00029 2.12219 A44 2.12022 0.00001 -0.00001 0.00004 0.00003 2.12024 A45 2.08622 -0.00001 -0.00006 0.00001 -0.00005 2.08616 A46 2.07675 0.00000 0.00007 -0.00004 0.00003 2.07678 A47 2.10630 -0.00002 -0.00006 -0.00002 -0.00008 2.10622 A48 2.09084 0.00002 0.00001 0.00005 0.00006 2.09091 A49 2.08602 0.00001 0.00005 -0.00004 0.00001 2.08604 A50 1.99628 0.00005 0.00010 0.00015 0.00025 1.99653 A51 1.90016 -0.00001 0.00020 -0.00010 0.00010 1.90026 A52 1.90825 -0.00003 -0.00013 -0.00005 -0.00017 1.90808 A53 1.89349 -0.00002 0.00009 -0.00008 0.00001 1.89350 A54 1.90410 0.00001 -0.00020 0.00011 -0.00009 1.90401 A55 1.85641 -0.00000 -0.00009 -0.00005 -0.00013 1.85628 A56 1.99578 -0.00001 -0.00022 0.00013 -0.00008 1.99570 A57 1.90620 0.00002 0.00016 -0.00006 0.00010 1.90630 A58 1.88658 0.00000 0.00006 -0.00001 0.00005 1.88663 A59 1.91036 -0.00001 -0.00011 -0.00002 -0.00013 1.91023 A60 1.90384 0.00001 0.00023 -0.00005 0.00018 1.90402 A61 1.85583 -0.00001 -0.00011 -0.00000 -0.00012 1.85571 A62 1.97058 0.00002 0.00003 0.00002 0.00005 1.97063 A63 1.91551 -0.00002 -0.00004 -0.00001 -0.00005 1.91546 A64 1.90596 0.00000 0.00007 -0.00001 0.00007 1.90602 A65 1.90637 0.00000 0.00005 0.00001 0.00006 1.90643 A66 1.90529 -0.00001 0.00007 -0.00005 0.00002 1.90531 A67 1.85662 -0.00000 -0.00020 0.00004 -0.00016 1.85646 A68 1.91032 -0.00000 -0.00004 0.00002 -0.00002 1.91031 A69 1.90701 0.00001 0.00001 0.00003 0.00004 1.90705 A70 1.97112 -0.00000 0.00005 -0.00000 0.00005 1.97117 A71 1.85502 -0.00001 -0.00011 -0.00001 -0.00012 1.85490 A72 1.90879 0.00000 0.00004 -0.00002 0.00002 1.90881 A73 1.90796 -0.00000 0.00004 -0.00002 0.00002 1.90798 A74 1.93953 0.00000 0.00001 0.00000 0.00001 1.93954 A75 1.93983 0.00000 -0.00000 0.00001 0.00001 1.93984 A76 1.94191 -0.00001 -0.00004 0.00000 -0.00004 1.94187 A77 1.87895 -0.00000 0.00002 -0.00001 0.00001 1.87895 A78 1.88085 0.00000 0.00001 -0.00000 0.00001 1.88086 A79 1.87997 0.00000 0.00001 -0.00000 0.00001 1.87998 D1 -3.12432 -0.00000 0.00015 -0.00058 -0.00043 -3.12475 D2 1.07914 -0.00000 0.00024 -0.00061 -0.00037 1.07878 D3 -1.01357 -0.00000 0.00013 -0.00063 -0.00050 -1.01407 D4 -1.05426 0.00001 -0.00021 -0.00003 -0.00024 -1.05451 D5 -3.13398 0.00001 -0.00012 -0.00006 -0.00018 -3.13416 D6 1.05649 0.00001 -0.00023 -0.00009 -0.00032 1.05617 D7 0.99774 -0.00001 -0.00029 -0.00020 -0.00048 0.99726 D8 -1.08197 -0.00001 -0.00020 -0.00023 -0.00042 -1.08240 D9 3.10850 -0.00001 -0.00031 -0.00025 -0.00056 3.10794 D10 -1.04161 -0.00000 0.00359 0.00067 0.00426 -1.03736 D11 3.11269 0.00002 0.00377 0.00037 0.00413 3.11682 D12 1.11426 0.00001 0.00387 0.00035 0.00422 1.11849 D13 1.61967 0.00003 0.00633 0.00107 0.00739 1.62707 D14 -1.46862 0.00001 0.00584 0.00020 0.00604 -1.46258 D15 -2.53199 0.00003 0.00614 0.00137 0.00751 -2.52449 D16 0.66290 0.00001 0.00566 0.00049 0.00615 0.66905 D17 -0.47668 0.00004 0.00633 0.00125 0.00758 -0.46910 D18 2.71821 0.00001 0.00585 0.00038 0.00623 2.72444 D19 3.11749 -0.00002 0.00101 -0.00065 0.00036 3.11785 D20 0.00027 0.00001 -0.00110 0.00039 -0.00071 -0.00044 D21 -0.01951 -0.00002 0.00169 -0.00109 0.00060 -0.01890 D22 -3.13672 0.00000 -0.00042 -0.00004 -0.00047 -3.13719 D23 -3.12071 0.00001 -0.00014 0.00032 0.00018 -3.12053 D24 0.03546 0.00000 -0.00008 0.00020 0.00012 0.03558 D25 0.01592 0.00001 -0.00087 0.00078 -0.00008 0.01584 D26 -3.11110 0.00001 -0.00081 0.00067 -0.00014 -3.11124 D27 -3.10457 0.00001 -0.00117 0.00048 -0.00068 -3.10525 D28 0.02573 0.00001 -0.00158 0.00053 -0.00105 0.02468 D29 0.01281 -0.00001 0.00094 -0.00055 0.00038 0.01319 D30 -3.14007 -0.00001 0.00052 -0.00051 0.00001 -3.14006 D31 -3.11662 -0.00002 0.00018 -0.00053 -0.00035 -3.11697 D32 -0.02860 0.00001 0.00065 0.00035 0.00100 -0.02760 D33 0.01355 -0.00001 -0.00024 -0.00049 -0.00073 0.01283 D34 3.10158 0.00001 0.00022 0.00039 0.00062 3.10220 D35 3.11685 0.00001 0.00047 0.00033 0.00080 3.11765 D36 -0.03695 0.00001 0.00008 0.00052 0.00061 -0.03635 D37 0.03030 -0.00002 -0.00005 -0.00057 -0.00062 0.02968 D38 -3.12351 -0.00002 -0.00043 -0.00038 -0.00081 -3.12432 D39 -0.02272 0.00001 0.00017 -0.00005 0.00012 -0.02260 D40 3.10414 0.00001 0.00011 0.00007 0.00018 3.10431 D41 3.13192 0.00001 0.00058 -0.00026 0.00033 3.13225 D42 -0.02441 0.00001 0.00052 -0.00013 0.00039 -0.02402 D43 2.36517 -0.00000 -0.00107 0.00056 -0.00052 2.36465 D44 -0.80121 0.00001 -0.00071 0.00021 -0.00049 -0.80170 D45 -0.76122 -0.00000 -0.00101 0.00043 -0.00058 -0.76180 D46 2.35559 0.00001 -0.00065 0.00009 -0.00056 2.35504 D47 3.09910 0.00000 0.00010 -0.00018 -0.00008 3.09903 D48 -0.05772 0.00000 0.00023 -0.00039 -0.00016 -0.05788 D49 -0.01854 -0.00001 -0.00025 0.00015 -0.00010 -0.01864 D50 3.10782 -0.00001 -0.00012 -0.00006 -0.00018 3.10763 D51 -3.10473 0.00000 -0.00005 0.00008 0.00002 -3.10470 D52 0.04333 -0.00000 -0.00018 0.00024 0.00006 0.04338 D53 0.01269 0.00001 0.00030 -0.00026 0.00004 0.01273 D54 -3.12244 0.00001 0.00017 -0.00010 0.00007 -3.12237 D55 0.01518 -0.00000 -0.00016 0.00016 0.00000 0.01518 D56 -3.13509 -0.00000 0.00007 -0.00023 -0.00017 -3.13526 D57 -3.11125 0.00000 -0.00028 0.00037 0.00009 -3.11116 D58 0.02166 0.00000 -0.00005 -0.00003 -0.00008 0.02158 D59 -0.00529 0.00001 0.00049 -0.00035 0.00014 -0.00515 D60 3.12542 0.00001 0.00030 -0.00013 0.00017 3.12558 D61 -3.13815 0.00001 0.00027 0.00005 0.00032 -3.13784 D62 -0.00744 0.00001 0.00007 0.00026 0.00034 -0.00711 D63 -0.00054 -0.00000 -0.00044 0.00024 -0.00020 -0.00075 D64 -3.13998 -0.00000 -0.00046 0.00005 -0.00040 -3.14038 D65 -3.13115 -0.00001 -0.00025 0.00002 -0.00023 -3.13138 D66 0.01260 -0.00001 -0.00026 -0.00016 -0.00043 0.01217 D67 -1.31019 0.00000 -0.00048 -0.00012 -0.00060 -1.31080 D68 0.81079 0.00001 -0.00014 -0.00020 -0.00034 0.81045 D69 2.83216 -0.00002 -0.00020 -0.00034 -0.00054 2.83162 D70 1.82008 0.00001 -0.00068 0.00010 -0.00058 1.81950 D71 -2.34212 0.00001 -0.00034 0.00002 -0.00031 -2.34244 D72 -0.32075 -0.00002 -0.00040 -0.00011 -0.00051 -0.32126 D73 -0.00336 -0.00000 0.00004 0.00007 0.00011 -0.00325 D74 3.13179 -0.00000 0.00017 -0.00009 0.00008 3.13187 D75 3.13609 -0.00000 0.00006 0.00025 0.00031 3.13640 D76 -0.01195 -0.00000 0.00019 0.00009 0.00028 -0.01167 D77 -1.15040 0.00000 -0.00013 -0.00040 -0.00053 -1.15093 D78 0.99669 -0.00001 -0.00030 -0.00038 -0.00069 0.99601 D79 3.00884 -0.00001 -0.00032 -0.00042 -0.00075 3.00810 D80 3.00815 -0.00000 -0.00053 -0.00031 -0.00085 3.00730 D81 -1.12795 -0.00001 -0.00070 -0.00030 -0.00100 -1.12895 D82 0.88420 -0.00001 -0.00072 -0.00034 -0.00106 0.88314 D83 0.99269 0.00001 -0.00037 -0.00028 -0.00065 0.99204 D84 3.13978 -0.00001 -0.00055 -0.00026 -0.00080 3.13898 D85 -1.13126 -0.00000 -0.00057 -0.00030 -0.00086 -1.13212 D86 -3.11737 0.00000 0.00013 -0.00003 0.00010 -3.11727 D87 1.03458 -0.00001 0.00007 -0.00005 0.00002 1.03460 D88 -0.99436 0.00000 0.00029 -0.00009 0.00020 -0.99416 D89 1.02098 -0.00000 0.00016 -0.00003 0.00013 1.02110 D90 -1.11027 -0.00001 0.00010 -0.00005 0.00005 -1.11022 D91 -3.13920 0.00000 0.00032 -0.00009 0.00023 -3.13897 D92 -1.00292 0.00001 0.00023 0.00001 0.00024 -1.00268 D93 -3.13416 -0.00000 0.00017 -0.00001 0.00016 -3.13400 D94 1.12009 0.00001 0.00038 -0.00004 0.00034 1.12043 D95 1.00654 0.00000 0.00027 -0.00004 0.00023 1.00677 D96 -1.01815 0.00001 0.00042 -0.00006 0.00036 -1.01779 D97 3.13750 0.00001 0.00033 -0.00005 0.00028 3.13778 D98 -3.14028 -0.00000 0.00028 -0.00003 0.00025 -3.14003 D99 1.11821 0.00000 0.00043 -0.00005 0.00038 1.11859 D100 -1.00931 0.00000 0.00034 -0.00004 0.00030 -1.00902 D101 -1.11684 -0.00001 0.00011 -0.00001 0.00010 -1.11674 D102 -3.14153 -0.00000 0.00026 -0.00003 0.00023 -3.14130 D103 1.01413 -0.00000 0.00017 -0.00002 0.00015 1.01427 D104 1.04287 0.00000 0.00008 0.00006 0.00014 1.04301 D105 -1.04929 0.00000 0.00005 0.00006 0.00012 -1.04918 D106 3.13883 0.00000 0.00007 0.00006 0.00013 3.13896 D107 -3.10849 0.00000 0.00009 0.00007 0.00016 -3.10832 D108 1.08254 0.00000 0.00007 0.00007 0.00014 1.08268 D109 -1.01252 0.00000 0.00009 0.00007 0.00015 -1.01237 D110 -1.08412 -0.00000 0.00000 0.00004 0.00004 -1.08408 D111 3.10690 -0.00000 -0.00002 0.00004 0.00002 3.10692 D112 1.01184 -0.00000 -0.00000 0.00004 0.00003 1.01188 Item Value Threshold Converged? Maximum Force 0.000123 0.000450 YES RMS Force 0.000025 0.000300 YES Maximum Displacement 0.018535 0.001800 NO RMS Displacement 0.003350 0.001200 NO Predicted change in Energy=-5.692212D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.019214 -4.614730 2.465436 2 6 0 7.168823 -3.459321 3.443256 3 8 0 6.771613 -5.824102 3.120180 4 8 0 2.849627 -3.700689 -0.929018 5 6 0 3.707796 -3.950981 -0.136174 6 7 0 5.027494 -3.636602 -0.428661 7 6 0 6.139054 -3.816009 0.346127 8 8 0 7.229987 -3.467307 -0.006854 9 7 0 5.891901 -4.411869 1.557289 10 6 0 4.611613 -4.753718 1.937166 11 6 0 3.524022 -4.577799 1.180609 12 1 0 7.893827 -4.690086 1.840333 13 1 0 7.342664 -2.534892 2.906138 14 1 0 8.016540 -3.630868 4.100654 15 1 0 5.190268 -3.205312 -1.314225 16 1 0 4.547695 -5.195764 2.908938 17 6 0 2.176166 -5.012540 1.634021 18 1 0 6.277945 -3.355991 4.053272 19 1 0 7.487827 -6.016637 3.709775 20 6 0 2.000928 -6.251594 2.243338 21 6 0 0.761029 -6.645560 2.714103 22 6 0 -0.352975 -5.825624 2.578314 23 6 0 -0.176245 -4.593918 1.958837 24 6 0 1.062491 -4.190976 1.491975 25 1 0 2.836930 -6.921864 2.339103 26 1 0 0.661008 -7.608273 3.185773 27 6 0 -1.710640 -6.274859 3.078715 28 1 0 -1.018444 -3.934809 1.838991 29 1 0 1.161379 -3.237296 1.010584 30 6 0 -2.397283 -7.328839 2.193156 31 6 0 -2.789401 -6.825673 0.803060 32 1 0 -1.598655 -6.685111 4.078936 33 1 0 -2.362678 -5.411114 3.173545 34 1 0 -1.745026 -8.193653 2.094593 35 1 0 -3.289335 -7.675939 2.710775 36 6 0 -3.499496 -7.889313 -0.036974 37 1 0 -1.904690 -6.483332 0.273525 38 1 0 -3.440253 -5.958196 0.906319 39 1 0 -4.387382 -8.233707 0.489541 40 1 0 -2.850927 -8.756653 -0.140885 41 6 0 -3.896369 -7.385637 -1.424255 42 1 0 -3.025309 -7.065181 -1.988385 43 1 0 -4.573765 -6.539045 -1.354855 44 1 0 -4.394966 -8.161614 -1.997089 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521014 0.000000 3 O 1.397345 2.419574 0.000000 4 O 5.453737 6.150650 6.023857 0.000000 5 C 4.263148 5.003275 4.847618 1.194864 0.000000 6 N 3.646846 4.428144 4.519002 2.235524 1.387799 7 C 2.429837 3.283269 3.482519 3.529820 2.482307 8 O 2.733720 3.450661 3.942452 4.482456 3.557597 9 N 1.461752 2.468755 2.282744 3.992860 2.801883 10 C 2.468791 3.237761 2.685301 3.525404 2.400003 11 C 3.724045 4.433412 3.982719 2.382153 1.469895 12 H 1.077675 2.147039 2.045328 5.838850 4.687826 13 H 2.150480 1.083183 3.345267 6.021203 4.947043 14 H 2.153272 1.086381 2.705817 7.211065 6.051319 15 H 4.429147 5.158762 5.387268 2.423301 2.035080 16 H 2.577343 3.189207 2.320612 4.455176 3.395236 17 C 4.929971 5.532852 4.897493 2.956970 2.570290 18 H 2.157574 1.084648 2.684388 6.057672 4.950873 19 H 1.932180 2.590880 0.947446 6.956645 5.774677 20 C 5.283166 5.995309 4.869398 4.158275 3.724017 21 C 6.584146 7.193303 6.080034 5.129019 4.905943 22 C 7.471825 7.932525 7.145164 5.203209 5.231882 23 C 7.213300 7.578974 7.150860 4.277086 4.459621 24 C 6.050598 6.452140 6.157290 3.048843 3.115462 25 H 4.778108 5.654525 4.158953 4.588762 3.963779 26 H 7.064486 7.722160 6.366087 6.082004 5.804657 27 C 8.907440 9.322286 8.494323 6.594263 6.715309 28 H 8.090654 8.356501 8.117627 4.762212 5.122391 29 H 6.190973 6.485104 6.528145 2.612848 2.882472 30 C 9.803618 10.394533 9.337680 7.102218 7.355793 31 C 10.191207 10.838321 9.888639 6.675647 7.166561 32 H 9.008747 9.363679 8.468881 7.333048 7.307602 33 H 9.442221 9.733024 9.143778 6.850161 7.066604 34 H 9.474076 10.182805 8.899424 7.102097 7.260156 35 H 10.756271 11.299976 10.238144 8.169306 8.422605 36 C 11.297265 12.064405 10.942047 7.658438 8.213730 37 H 9.377217 10.075737 9.155122 5.638505 6.170952 38 H 10.660028 11.190752 10.449946 6.930179 7.497353 39 H 12.128956 12.847765 11.715359 8.656492 9.179606 40 H 11.016720 11.887102 10.574861 7.660302 8.130888 41 C 11.914594 12.710118 11.700261 7.702763 8.442709 42 H 11.257604 12.100631 11.118335 6.852513 7.646151 43 H 12.356972 13.053541 12.216983 7.958916 8.761707 44 H 12.758448 13.617273 12.503715 8.574657 9.319183 6 7 8 9 10 6 N 0.000000 7 C 1.366767 0.000000 8 O 2.248902 1.198467 0.000000 9 N 2.300486 1.372242 2.264777 0.000000 10 C 2.649160 2.396619 3.505703 1.378515 0.000000 11 C 2.395001 2.848698 4.046905 2.403387 1.336481 12 H 3.804475 2.464932 2.312568 2.040889 3.284259 13 H 4.206502 3.105413 3.060656 2.728947 3.649758 14 H 5.426705 4.201869 4.185336 3.404814 4.187481 15 H 0.998364 2.007465 2.436865 3.192751 3.647458 16 H 3.714938 3.317251 4.322511 2.061149 1.069500 17 C 3.778616 4.335302 5.533654 3.764755 2.467851 18 H 4.661555 3.738159 4.171738 2.737488 3.034503 19 H 5.370704 4.239821 4.514299 3.123372 3.606898 20 C 4.810184 5.162904 6.337088 4.358316 3.025401 21 C 6.093728 6.522026 7.704046 5.714319 4.360011 22 C 6.540883 7.153157 8.351411 6.483800 5.119295 23 C 5.804782 6.564220 7.745029 6.084142 4.790573 24 C 4.440430 5.217764 6.388129 4.834900 3.620931 25 H 4.822036 4.952001 6.061058 4.030403 2.830531 26 H 6.921308 7.242503 8.395949 6.342807 5.031380 27 C 8.041426 8.667796 9.865998 7.973964 6.602113 28 H 6.464096 7.312493 8.465360 6.932519 5.690149 29 H 4.144601 5.055064 6.157605 4.904727 3.881006 30 C 8.696772 9.413849 10.603575 8.810426 7.471372 31 C 8.531774 9.433143 10.598242 9.042141 7.768797 32 H 8.574246 9.057470 10.246603 8.224036 6.847254 33 H 8.410673 9.100446 10.291382 8.470469 7.113476 34 H 8.544036 9.185839 10.358827 8.538925 7.229440 35 H 9.764320 10.458735 11.651362 9.812226 8.459481 36 C 9.536694 10.470923 11.605036 10.140642 8.917358 37 H 7.526759 8.474769 9.623791 8.168588 6.944168 38 H 8.881143 9.831882 10.995110 9.481771 8.206458 39 H 10.517431 11.416763 12.566951 11.018629 9.756426 40 H 9.400386 10.269708 11.385077 9.909489 8.719592 41 C 9.730457 10.797510 11.880999 10.655661 9.519028 42 H 8.890192 9.999631 11.047274 9.956329 8.892434 43 H 10.073042 11.183594 12.271155 11.069581 9.919474 44 H 10.569694 11.633594 12.693978 11.511464 10.402431 11 12 13 14 15 11 C 0.000000 12 H 4.420751 0.000000 13 H 4.661861 2.466694 0.000000 14 H 5.441145 2.499211 1.755602 0.000000 15 H 3.299135 4.411918 4.784739 6.122893 0.000000 16 H 2.101645 3.548835 3.859028 3.987727 4.712739 17 C 1.487044 5.730462 5.869389 6.488703 4.587270 18 H 4.162823 3.047620 1.767413 1.760828 5.478665 19 H 4.917183 2.327958 3.576234 2.474716 6.198621 20 C 2.500160 6.109581 6.541202 6.819487 5.666391 21 C 3.776423 7.447427 7.762241 7.978304 6.905136 22 C 4.306013 8.357261 8.376112 8.785400 7.262606 23 C 3.781253 8.071515 7.853086 8.522709 6.437440 24 C 2.511118 6.858398 6.647033 7.448337 5.087714 25 H 2.703487 5.549938 6.314166 6.384518 5.718196 26 H 4.626155 7.914525 8.394160 8.411933 7.755660 27 C 5.821040 9.812792 9.796911 10.131786 8.737424 28 H 4.634750 8.944218 8.544396 9.318715 7.001646 29 H 2.721753 6.937215 6.503444 7.529718 4.651636 30 C 6.607218 10.629885 10.879193 11.214332 9.320737 31 C 6.712287 10.943859 11.202343 11.740923 9.014713 32 H 6.251631 9.954833 9.927083 10.088650 9.342627 33 H 6.270522 10.367895 10.126097 10.571517 9.058291 34 H 6.455435 10.259002 10.736215 10.960450 9.197929 35 H 7.639484 11.607588 11.811348 12.087893 10.396673 36 C 7.859926 11.981951 12.445247 12.956597 9.954057 37 H 5.824498 10.083727 10.393959 11.009735 7.975262 38 H 7.105059 11.442983 11.488672 12.119337 9.327116 39 H 8.742628 12.853404 13.263122 13.714355 10.966755 40 H 7.736223 11.658127 12.324932 12.742298 9.841491 41 C 8.350537 12.527260 12.984525 13.657975 10.002710 42 H 7.689169 11.812184 12.327803 13.068791 9.102131 43 H 8.709146 13.002643 13.273680 14.026256 10.317547 44 H 9.254829 13.333857 13.909478 14.551824 10.812398 16 17 18 19 20 16 H 0.000000 17 C 2.698729 0.000000 18 H 2.772729 5.041976 0.000000 19 H 3.155875 5.790571 2.942931 0.000000 20 C 2.836163 1.391844 5.472956 5.684338 0.000000 21 C 4.059398 2.415770 6.561326 6.829108 1.383539 22 C 4.952030 2.819458 7.227979 7.924321 2.415475 23 C 4.855978 2.411345 6.897513 7.989237 2.751166 24 C 3.894102 1.391192 5.870128 7.038225 2.385657 25 H 2.496167 2.139922 5.243511 4.932446 1.075793 26 H 4.582922 3.382524 7.098199 7.029462 2.127004 27 C 6.352955 4.334495 8.560785 9.223704 3.804489 28 H 5.806609 3.377729 7.646919 8.954915 3.827219 29 H 4.348159 2.137746 5.954098 7.418511 3.363112 30 C 7.300348 5.156967 9.721272 10.086496 4.528492 31 C 7.805403 5.351150 10.238132 10.710973 5.035000 32 H 6.431537 4.798372 8.551288 9.118514 4.063786 33 H 6.918790 4.809376 8.925123 9.883656 4.540127 34 H 7.017752 5.070242 9.571179 9.622567 4.222072 35 H 8.222504 6.174527 10.582868 10.949818 5.498558 36 C 8.982811 6.578844 11.527336 11.758669 6.175485 37 H 7.087772 4.546159 9.540559 10.012242 4.380379 38 H 8.270375 5.741775 10.541260 11.282097 5.610718 39 H 9.742596 7.400399 12.257303 12.502236 6.914845 40 H 8.759050 6.514624 11.405893 11.367722 5.958216 41 C 9.740345 7.201411 12.237565 12.563134 7.036718 42 H 9.210259 6.662619 11.696590 12.003936 6.620609 43 H 10.158020 7.538247 12.535521 13.092188 7.500414 44 H 10.622455 8.141338 13.176187 13.355523 7.908025 21 22 23 24 25 21 C 0.000000 22 C 1.389869 0.000000 23 C 2.378685 1.389994 0.000000 24 C 2.758525 2.419866 1.383759 0.000000 25 H 2.127518 3.381487 3.826638 3.365116 0.000000 26 H 1.076705 2.138926 3.360461 3.835109 2.433649 27 C 2.525769 1.515081 2.536544 3.814521 4.652530 28 H 3.358648 2.136500 1.076145 2.125167 4.902705 29 H 3.831256 3.383856 2.128108 1.072856 4.260102 30 C 3.273101 2.566553 3.530964 4.723121 5.252039 31 C 4.036097 3.176129 3.625622 4.717341 5.833034 32 H 2.726251 2.131268 3.300175 4.471552 4.770481 33 H 3.390057 2.136592 2.631314 4.006020 5.478557 34 H 3.010100 2.789149 3.929071 4.926127 4.761466 35 H 4.179371 3.473244 4.444726 5.706911 6.183680 36 C 5.221821 4.582481 5.087916 6.068534 6.836080 37 H 3.617844 2.855250 3.065564 3.942547 5.190557 38 H 4.625076 3.513464 3.690907 4.872449 6.510342 39 H 5.828981 5.141816 5.756784 6.859276 7.571823 40 H 5.064968 4.714312 5.375046 6.231089 6.470588 41 C 6.274159 5.568647 5.751376 6.580315 7.727565 42 H 6.051927 5.434391 5.459383 6.089668 7.287903 43 H 6.710275 5.813248 5.839713 6.736857 8.289166 44 H 7.146890 6.536731 6.795249 7.597589 8.522902 26 27 28 29 30 26 H 0.000000 27 C 2.722897 0.000000 28 H 4.257784 2.737131 0.000000 29 H 4.907877 4.663952 2.434011 0.000000 30 C 3.227463 1.538364 3.680498 5.550069 0.000000 31 C 4.265573 2.577930 3.544931 5.341178 1.529477 32 H 2.599239 1.086872 3.594184 5.377732 2.146708 33 H 3.737691 1.086371 2.401557 4.671494 2.154072 34 H 2.705983 2.156722 4.327933 5.847028 1.087685 35 H 3.979373 2.142587 4.462399 6.511609 1.088193 36 C 5.270187 3.938779 5.031199 6.668013 2.549997 37 H 4.040976 2.819611 3.119469 4.525570 2.154649 38 H 4.973833 2.794842 3.290764 5.346885 2.149977 39 H 5.757350 4.207832 5.625947 7.484942 2.771567 40 H 4.971833 4.222011 5.525222 6.920099 2.773481 41 C 6.486263 5.127179 5.553326 6.979827 3.916139 42 H 6.376189 5.294191 5.336247 6.416765 4.236651 43 H 7.011662 5.284299 5.442701 7.027711 4.236653 44 H 7.261620 6.043942 6.631914 8.010491 4.716186 31 32 33 34 35 31 C 0.000000 32 H 3.488409 0.000000 33 H 2.793254 1.739693 0.000000 34 H 2.151777 2.496946 3.047648 0.000000 35 H 2.147617 2.389979 2.490438 1.741436 0.000000 36 C 1.530105 4.690843 4.212037 2.777474 2.764022 37 H 1.086425 3.823026 3.125623 2.503394 3.046267 38 H 1.089398 3.739705 2.569199 3.046812 2.495893 39 H 2.152764 4.801968 4.389799 3.091899 2.539821 40 H 2.150232 4.864808 4.734603 2.556824 3.080927 41 C 2.549484 6.004609 5.233614 4.202791 4.189420 42 H 2.811615 6.244371 5.460818 4.425300 4.746034 43 H 2.814730 6.196668 5.164062 4.757960 4.412667 44 H 3.493338 6.849635 6.199266 4.874943 4.860276 36 37 38 39 40 36 C 0.000000 37 H 2.148627 0.000000 38 H 2.150006 1.741881 0.000000 39 H 1.088194 3.045363 2.499742 0.000000 40 H 1.087987 2.497016 3.045538 1.741150 0.000000 41 C 1.528315 2.768284 2.770777 2.150100 2.149342 42 H 2.170726 2.590477 3.126804 3.059545 2.510924 43 H 2.171195 3.127089 2.595215 2.511655 3.059359 44 H 2.172111 3.764809 3.767798 2.487687 2.486688 41 42 43 44 41 C 0.000000 42 H 1.086131 0.000000 43 H 1.086462 1.753823 0.000000 44 H 1.085762 1.754480 1.754185 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.790362 -0.966045 0.538555 2 6 0 -5.351977 -1.524420 -0.760017 3 8 0 -4.244598 -1.968225 1.344998 4 8 0 -0.835175 2.642307 -0.500452 5 6 0 -1.637915 1.790496 -0.260186 6 7 0 -2.964845 2.136317 -0.046529 7 6 0 -4.028422 1.318210 0.213385 8 8 0 -5.143275 1.737877 0.344938 9 7 0 -3.708561 -0.013769 0.294433 10 6 0 -2.417644 -0.452102 0.090226 11 6 0 -1.377232 0.347043 -0.164902 12 1 0 -5.552164 -0.419661 1.070068 13 1 0 -5.751670 -0.723303 -1.369724 14 1 0 -6.157852 -2.222461 -0.551385 15 1 0 -3.180345 3.109246 -0.107349 16 1 0 -2.299609 -1.512501 0.164076 17 6 0 0.000019 -0.189095 -0.329326 18 1 0 -4.581879 -2.047143 -1.316947 19 1 0 -4.913897 -2.605622 1.553367 20 6 0 0.489258 -1.159556 0.540203 21 6 0 1.750308 -1.701651 0.366810 22 6 0 2.576350 -1.282779 -0.669500 23 6 0 2.088660 -0.305095 -1.528789 24 6 0 0.825742 0.236215 -1.365042 25 1 0 -0.113798 -1.485730 1.369217 26 1 0 2.096188 -2.454891 1.054044 27 6 0 3.963651 -1.867819 -0.838600 28 1 0 2.702785 0.040445 -2.342140 29 1 0 0.484378 0.995785 -2.041463 30 6 0 4.998948 -1.351187 0.175213 31 6 0 5.328685 0.135948 0.037370 32 1 0 3.902661 -2.949212 -0.748274 33 1 0 4.319402 -1.664430 -1.844719 34 1 0 4.643593 -1.551391 1.183528 35 1 0 5.911468 -1.931035 0.051732 36 6 0 6.385685 0.606947 1.038436 37 1 0 4.425481 0.725728 0.166603 38 1 0 5.681550 0.332528 -0.974377 39 1 0 7.292753 0.019445 0.911018 40 1 0 6.035001 0.411086 2.049562 41 6 0 6.719578 2.091697 0.897794 42 1 0 5.838537 2.707533 1.053333 43 1 0 7.106519 2.314270 -0.092730 44 1 0 7.469135 2.396962 1.621573 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6062743 0.1065741 0.0967967 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.7121328371 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.84D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 1.000000 0.000193 0.000023 -0.000004 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) = -990.116180863 A.U. after 9 cycles NFock= 9 Conv=0.56D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000082070 -0.000079576 0.000061882 2 6 -0.000027743 0.000006456 -0.000011438 3 8 0.000011989 0.000028371 -0.000039056 4 8 0.000033571 0.000001411 -0.000003333 5 6 -0.000115051 0.000030483 0.000097473 6 7 0.000125144 -0.000106269 -0.000044313 7 6 -0.000062780 0.000044639 -0.000052318 8 8 0.000020515 -0.000010129 -0.000001076 9 7 -0.000144668 0.000066363 0.000057815 10 6 0.000119320 -0.000005483 -0.000012485 11 6 0.000000412 -0.000009954 -0.000104243 12 1 -0.000012926 0.000010441 -0.000009598 13 1 -0.000002002 -0.000005523 -0.000000756 14 1 -0.000002233 -0.000003524 -0.000003079 15 1 -0.000002523 0.000019809 0.000019135 16 1 -0.000018964 -0.000015911 0.000018749 17 6 -0.000053145 0.000052528 0.000079391 18 1 0.000003736 0.000000206 0.000000322 19 1 -0.000018348 0.000004647 -0.000000321 20 6 -0.000024227 -0.000000346 -0.000002879 21 6 0.000023686 0.000017547 -0.000016620 22 6 0.000010410 -0.000008343 0.000004345 23 6 0.000004306 0.000000518 -0.000013892 24 6 0.000036034 -0.000033148 -0.000023554 25 1 0.000031032 0.000001367 -0.000010344 26 1 -0.000004650 -0.000003220 0.000004046 27 6 -0.000044601 -0.000012220 -0.000034653 28 1 0.000008521 0.000002784 0.000017197 29 1 -0.000005608 -0.000007604 -0.000005261 30 6 0.000004945 0.000014198 0.000037825 31 6 -0.000026148 -0.000036767 -0.000017605 32 1 0.000007610 0.000005188 -0.000004042 33 1 0.000008102 0.000015210 0.000019822 34 1 0.000012339 -0.000009626 -0.000013597 35 1 0.000009328 0.000002077 -0.000007378 36 6 0.000017150 0.000033345 -0.000005230 37 1 0.000008225 -0.000005016 0.000007128 38 1 -0.000009988 0.000002644 -0.000002482 39 1 -0.000006503 -0.000002784 0.000003809 40 1 -0.000000483 -0.000004000 -0.000001250 41 6 0.000001761 -0.000001475 0.000007430 42 1 -0.000000878 0.000000074 0.000000002 43 1 0.000001055 -0.000000356 -0.000001398 44 1 0.000002206 0.000000969 0.000005830 ------------------------------------------------------------------- Cartesian Forces: Max 0.000144668 RMS 0.000035783 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000094333 RMS 0.000016380 Search for a local minimum. Step number 25 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 20 21 22 23 24 25 DE= -9.34D-07 DEPred=-5.69D-07 R= 1.64D+00 Trust test= 1.64D+00 RLast= 1.89D-02 DXMaxT set to 7.81D-01 ITU= 0 1 1 1 1 1 1 1 1 1 1 0 0 -1 -1 1 -1 1 1 1 ITU= 1 0 1 1 0 Eigenvalues --- 0.00169 0.00231 0.00238 0.00269 0.00289 Eigenvalues --- 0.00301 0.00357 0.00705 0.01473 0.01494 Eigenvalues --- 0.01542 0.01572 0.01638 0.01799 0.01883 Eigenvalues --- 0.02024 0.02058 0.02137 0.02207 0.02363 Eigenvalues --- 0.02425 0.02457 0.02485 0.02539 0.02661 Eigenvalues --- 0.03421 0.03434 0.03627 0.04372 0.04707 Eigenvalues --- 0.04764 0.04818 0.05187 0.05359 0.05430 Eigenvalues --- 0.05453 0.05507 0.05596 0.05912 0.06216 Eigenvalues --- 0.06592 0.08365 0.08367 0.08630 0.08703 Eigenvalues --- 0.09836 0.12244 0.12268 0.12340 0.13097 Eigenvalues --- 0.14358 0.15805 0.15962 0.15988 0.15997 Eigenvalues --- 0.16002 0.16012 0.16019 0.16038 0.16107 Eigenvalues --- 0.16198 0.16235 0.16326 0.18784 0.20306 Eigenvalues --- 0.21027 0.21685 0.21908 0.22008 0.22095 Eigenvalues --- 0.22691 0.23047 0.23607 0.23995 0.24592 Eigenvalues --- 0.24895 0.25068 0.25197 0.25585 0.27050 Eigenvalues --- 0.27993 0.28176 0.28469 0.28915 0.29264 Eigenvalues --- 0.30362 0.31697 0.32675 0.33261 0.33536 Eigenvalues --- 0.33577 0.33677 0.33695 0.33700 0.33725 Eigenvalues --- 0.33735 0.33746 0.33766 0.33783 0.33790 Eigenvalues --- 0.33879 0.34059 0.34200 0.34794 0.35168 Eigenvalues --- 0.37652 0.37760 0.38188 0.38215 0.39172 Eigenvalues --- 0.40998 0.42430 0.43923 0.46219 0.48996 Eigenvalues --- 0.49663 0.51535 0.52480 0.53453 0.54434 Eigenvalues --- 0.55966 0.56820 0.57446 0.60133 0.88332 Eigenvalues --- 0.91379 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 25 24 23 22 21 20 19 18 17 RFO step: Lambda=-7.06413280D-07. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. RFO-DIIS uses 6 points instead of 9 DidBck=F Rises=F RFO-DIIS coefs: 1.46809 0.14187 -1.03046 0.36607 0.12165 RFO-DIIS coefs: -0.06721 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00232973 RMS(Int)= 0.00000292 Iteration 2 RMS(Cart)= 0.00000401 RMS(Int)= 0.00000021 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000021 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87430 -0.00001 0.00004 -0.00003 0.00001 2.87431 R2 2.64060 -0.00005 0.00006 -0.00007 -0.00001 2.64059 R3 2.76231 0.00003 -0.00011 0.00001 -0.00010 2.76221 R4 2.03651 -0.00001 -0.00003 -0.00002 -0.00005 2.03646 R5 2.04692 -0.00000 0.00005 -0.00002 0.00003 2.04695 R6 2.05296 -0.00000 0.00002 -0.00002 0.00000 2.05297 R7 2.04969 -0.00000 0.00002 -0.00002 0.00000 2.04969 R8 1.79041 -0.00002 0.00004 -0.00004 0.00000 1.79042 R9 2.25797 -0.00002 0.00000 -0.00002 -0.00001 2.25795 R10 2.62256 0.00007 0.00003 0.00007 0.00010 2.62266 R11 2.77770 -0.00005 -0.00006 -0.00004 -0.00010 2.77760 R12 2.58281 -0.00006 0.00003 -0.00006 -0.00003 2.58279 R13 1.88663 -0.00001 -0.00002 0.00000 -0.00002 1.88662 R14 2.26477 0.00002 0.00002 -0.00002 0.00000 2.26478 R15 2.59316 0.00003 -0.00001 0.00007 0.00006 2.59322 R16 2.60502 -0.00009 0.00003 -0.00014 -0.00011 2.60491 R17 2.52558 0.00002 -0.00001 0.00001 0.00000 2.52558 R18 2.02106 0.00002 0.00001 0.00004 0.00005 2.02112 R19 2.81011 -0.00001 0.00012 -0.00011 0.00001 2.81012 R20 2.63020 -0.00003 0.00011 -0.00007 0.00004 2.63024 R21 2.62897 -0.00005 -0.00022 0.00006 -0.00016 2.62881 R22 2.61451 -0.00003 -0.00012 0.00002 -0.00010 2.61441 R23 2.03295 0.00002 0.00000 0.00002 0.00003 2.03298 R24 2.62647 -0.00000 0.00006 -0.00001 0.00004 2.62652 R25 2.03468 0.00001 -0.00003 0.00002 -0.00001 2.03467 R26 2.62671 0.00001 -0.00011 0.00005 -0.00006 2.62665 R27 2.86309 0.00001 -0.00000 0.00001 0.00001 2.86309 R28 2.61493 -0.00000 0.00009 -0.00003 0.00006 2.61499 R29 2.03362 -0.00001 -0.00002 0.00001 -0.00002 2.03360 R30 2.02740 -0.00000 0.00001 -0.00001 -0.00000 2.02740 R31 2.90709 -0.00001 -0.00012 0.00001 -0.00011 2.90697 R32 2.05389 -0.00000 0.00007 -0.00005 0.00002 2.05391 R33 2.05294 0.00001 0.00001 0.00001 0.00002 2.05296 R34 2.89029 0.00000 -0.00002 0.00001 -0.00001 2.89028 R35 2.05543 0.00002 0.00004 0.00000 0.00004 2.05546 R36 2.05639 -0.00001 0.00003 -0.00003 -0.00000 2.05638 R37 2.89148 -0.00003 -0.00007 -0.00001 -0.00007 2.89141 R38 2.05305 0.00000 0.00007 -0.00003 0.00004 2.05309 R39 2.05866 0.00001 0.00003 -0.00001 0.00002 2.05869 R40 2.05639 0.00001 0.00003 -0.00001 0.00002 2.05641 R41 2.05600 0.00000 0.00004 -0.00002 0.00002 2.05602 R42 2.88810 -0.00001 -0.00004 0.00000 -0.00003 2.88806 R43 2.05249 -0.00000 0.00002 -0.00001 0.00000 2.05249 R44 2.05312 -0.00000 0.00002 -0.00001 0.00000 2.05312 R45 2.05179 -0.00000 0.00001 -0.00001 -0.00000 2.05179 A1 1.95373 0.00002 0.00002 0.00006 0.00008 1.95382 A2 1.94963 -0.00003 -0.00004 -0.00007 -0.00012 1.94951 A3 1.92430 0.00001 -0.00002 0.00008 0.00006 1.92436 A4 1.84893 -0.00001 0.00005 -0.00018 -0.00013 1.84880 A5 1.93379 -0.00000 0.00013 0.00007 0.00020 1.93399 A6 1.84962 0.00001 -0.00015 0.00002 -0.00012 1.84950 A7 1.92336 -0.00000 -0.00003 -0.00001 -0.00004 1.92332 A8 1.92391 -0.00001 0.00006 -0.00003 0.00002 1.92393 A9 1.93172 0.00000 0.00018 0.00003 0.00020 1.93192 A10 1.88556 0.00000 -0.00005 0.00002 -0.00003 1.88553 A11 1.90646 0.00000 -0.00011 -0.00000 -0.00011 1.90635 A12 1.89191 0.00000 -0.00005 -0.00000 -0.00005 1.89186 A13 1.91083 0.00001 0.00006 0.00001 0.00007 1.91089 A14 2.08941 -0.00002 0.00002 -0.00006 -0.00004 2.08937 A15 2.20676 0.00004 -0.00005 0.00011 0.00005 2.20682 A16 1.98700 -0.00002 0.00003 -0.00005 -0.00002 1.98699 A17 2.24485 -0.00001 -0.00005 0.00007 0.00002 2.24488 A18 2.02622 0.00001 0.00007 -0.00007 0.00000 2.02623 A19 2.01190 0.00000 -0.00002 -0.00002 -0.00003 2.01186 A20 2.13548 0.00001 -0.00012 0.00007 -0.00005 2.13543 A21 1.99419 -0.00000 0.00004 -0.00009 -0.00005 1.99413 A22 2.15345 -0.00001 0.00007 0.00003 0.00010 2.15355 A23 2.05975 0.00000 0.00043 0.00004 0.00046 2.06022 A24 2.10672 -0.00002 -0.00034 -0.00006 -0.00040 2.10632 A25 2.11552 0.00002 -0.00003 0.00005 0.00002 2.11553 A26 2.17384 -0.00000 0.00002 0.00003 0.00006 2.17389 A27 1.99149 0.00002 0.00021 -0.00008 0.00013 1.99162 A28 2.11779 -0.00002 -0.00023 0.00005 -0.00019 2.11761 A29 2.05049 0.00001 -0.00000 -0.00001 -0.00001 2.05047 A30 2.10731 0.00005 0.00012 0.00007 0.00019 2.10750 A31 2.12530 -0.00006 -0.00012 -0.00006 -0.00018 2.12512 A32 2.10350 -0.00007 -0.00012 -0.00009 -0.00021 2.10329 A33 2.11977 0.00004 0.00009 0.00006 0.00015 2.11992 A34 2.05967 0.00003 0.00005 0.00002 0.00007 2.05974 A35 2.11214 -0.00000 0.00003 -0.00003 0.00000 2.11214 A36 2.08953 -0.00002 -0.00014 0.00001 -0.00012 2.08941 A37 2.08142 0.00003 0.00011 0.00002 0.00012 2.08154 A38 2.11423 -0.00000 -0.00009 0.00004 -0.00005 2.11418 A39 2.07935 0.00001 -0.00002 0.00003 0.00001 2.07936 A40 2.08958 -0.00000 0.00011 -0.00007 0.00004 2.08962 A41 2.05374 -0.00001 0.00005 -0.00003 0.00002 2.05377 A42 2.10720 -0.00001 0.00026 -0.00015 0.00012 2.10732 A43 2.12219 0.00001 -0.00032 0.00018 -0.00014 2.12205 A44 2.12024 -0.00000 0.00001 -0.00000 0.00001 2.12026 A45 2.08616 -0.00000 -0.00006 0.00003 -0.00003 2.08613 A46 2.07678 0.00000 0.00005 -0.00003 0.00002 2.07679 A47 2.10622 -0.00001 -0.00006 -0.00001 -0.00006 2.10616 A48 2.09091 0.00001 0.00004 0.00002 0.00006 2.09097 A49 2.08604 0.00000 0.00001 -0.00001 0.00000 2.08604 A50 1.99653 0.00000 0.00017 -0.00008 0.00009 1.99662 A51 1.90026 -0.00001 0.00012 -0.00015 -0.00003 1.90023 A52 1.90808 -0.00001 -0.00017 0.00010 -0.00008 1.90800 A53 1.89350 -0.00000 0.00009 -0.00007 0.00002 1.89352 A54 1.90401 0.00002 -0.00009 0.00017 0.00007 1.90408 A55 1.85628 -0.00001 -0.00013 0.00004 -0.00009 1.85619 A56 1.99570 0.00001 -0.00016 0.00009 -0.00007 1.99562 A57 1.90630 -0.00000 0.00014 -0.00008 0.00006 1.90636 A58 1.88663 -0.00000 0.00009 -0.00004 0.00004 1.88668 A59 1.91023 -0.00001 -0.00012 0.00003 -0.00009 1.91014 A60 1.90402 -0.00000 0.00018 -0.00008 0.00010 1.90412 A61 1.85571 0.00000 -0.00013 0.00009 -0.00004 1.85568 A62 1.97063 0.00002 0.00008 -0.00000 0.00008 1.97071 A63 1.91546 -0.00002 -0.00008 -0.00001 -0.00010 1.91537 A64 1.90602 -0.00000 0.00007 -0.00002 0.00005 1.90607 A65 1.90643 -0.00000 0.00007 -0.00004 0.00004 1.90647 A66 1.90531 -0.00001 0.00002 -0.00002 -0.00000 1.90531 A67 1.85646 0.00001 -0.00017 0.00010 -0.00007 1.85639 A68 1.91031 -0.00000 -0.00002 0.00001 -0.00001 1.91029 A69 1.90705 0.00000 0.00004 0.00000 0.00004 1.90709 A70 1.97117 -0.00000 0.00005 -0.00002 0.00003 1.97120 A71 1.85490 -0.00000 -0.00012 0.00005 -0.00007 1.85483 A72 1.90881 0.00000 0.00003 -0.00002 0.00001 1.90882 A73 1.90798 -0.00000 0.00002 -0.00002 0.00000 1.90798 A74 1.93954 0.00000 0.00001 -0.00001 0.00001 1.93954 A75 1.93984 0.00000 0.00001 0.00001 0.00001 1.93986 A76 1.94187 -0.00001 -0.00005 0.00002 -0.00003 1.94184 A77 1.87895 -0.00000 0.00001 -0.00001 0.00000 1.87895 A78 1.88086 0.00000 0.00001 -0.00001 0.00001 1.88087 A79 1.87998 0.00000 0.00001 -0.00000 0.00000 1.87998 D1 -3.12475 0.00001 -0.00022 0.00037 0.00015 -3.12459 D2 1.07878 0.00001 -0.00017 0.00037 0.00020 1.07898 D3 -1.01407 0.00001 -0.00026 0.00038 0.00012 -1.01395 D4 -1.05451 -0.00000 -0.00017 0.00014 -0.00003 -1.05453 D5 -3.13416 -0.00000 -0.00012 0.00014 0.00002 -3.13415 D6 1.05617 -0.00000 -0.00021 0.00015 -0.00006 1.05611 D7 0.99726 -0.00001 -0.00039 0.00018 -0.00021 0.99705 D8 -1.08240 -0.00001 -0.00035 0.00018 -0.00017 -1.08256 D9 3.10794 -0.00001 -0.00043 0.00019 -0.00024 3.10770 D10 -1.03736 -0.00001 0.00272 -0.00001 0.00271 -1.03464 D11 3.11682 0.00001 0.00273 0.00016 0.00289 3.11971 D12 1.11849 0.00001 0.00281 0.00019 0.00300 1.12149 D13 1.62707 0.00002 0.00500 0.00040 0.00540 1.63247 D14 -1.46258 -0.00000 0.00383 -0.00016 0.00367 -1.45891 D15 -2.52449 0.00002 0.00504 0.00032 0.00536 -2.51913 D16 0.66905 0.00000 0.00387 -0.00024 0.00362 0.67268 D17 -0.46910 0.00002 0.00514 0.00032 0.00547 -0.46363 D18 2.72444 -0.00000 0.00397 -0.00024 0.00374 2.72818 D19 3.11785 -0.00001 0.00010 -0.00060 -0.00050 3.11734 D20 -0.00044 0.00002 -0.00058 0.00045 -0.00014 -0.00057 D21 -0.01890 -0.00003 0.00044 -0.00101 -0.00057 -0.01948 D22 -3.13719 -0.00000 -0.00024 0.00004 -0.00021 -3.13740 D23 -3.12053 -0.00000 0.00029 0.00019 0.00049 -3.12004 D24 0.03558 -0.00000 0.00017 0.00021 0.00038 0.03596 D25 0.01584 0.00002 -0.00007 0.00063 0.00056 0.01640 D26 -3.11124 0.00002 -0.00020 0.00065 0.00045 -3.11078 D27 -3.10525 0.00001 -0.00044 0.00041 -0.00002 -3.10528 D28 0.02468 0.00002 -0.00079 0.00063 -0.00016 0.02452 D29 0.01319 -0.00002 0.00024 -0.00063 -0.00039 0.01280 D30 -3.14006 -0.00001 -0.00011 -0.00041 -0.00052 -3.14059 D31 -3.11697 -0.00002 -0.00038 -0.00043 -0.00081 -3.11778 D32 -0.02760 0.00000 0.00079 0.00013 0.00092 -0.02668 D33 0.01283 -0.00001 -0.00074 -0.00021 -0.00095 0.01188 D34 3.10220 0.00002 0.00043 0.00035 0.00078 3.10298 D35 3.11765 0.00001 0.00068 0.00016 0.00084 3.11849 D36 -0.03635 0.00001 0.00054 0.00031 0.00085 -0.03550 D37 0.02968 -0.00001 -0.00054 -0.00042 -0.00096 0.02872 D38 -3.12432 -0.00001 -0.00069 -0.00026 -0.00095 -3.12527 D39 -0.02260 0.00000 0.00014 -0.00000 0.00014 -0.02246 D40 3.10431 0.00000 0.00027 -0.00002 0.00025 3.10457 D41 3.13225 0.00000 0.00030 -0.00016 0.00013 3.13238 D42 -0.02402 0.00000 0.00043 -0.00018 0.00025 -0.02377 D43 2.36465 0.00000 -0.00036 0.00029 -0.00007 2.36458 D44 -0.80170 0.00001 0.00022 0.00028 0.00050 -0.80120 D45 -0.76180 0.00000 -0.00050 0.00031 -0.00019 -0.76198 D46 2.35504 0.00001 0.00009 0.00030 0.00039 2.35542 D47 3.09903 0.00000 0.00018 0.00002 0.00020 3.09923 D48 -0.05788 0.00001 0.00018 -0.00003 0.00015 -0.05773 D49 -0.01864 -0.00001 -0.00038 0.00003 -0.00035 -0.01899 D50 3.10763 -0.00001 -0.00039 -0.00002 -0.00040 3.10723 D51 -3.10470 0.00000 -0.00009 0.00002 -0.00008 -3.10478 D52 0.04338 -0.00000 -0.00030 0.00009 -0.00021 0.04317 D53 0.01273 0.00001 0.00047 0.00000 0.00048 0.01321 D54 -3.12237 0.00001 0.00027 0.00007 0.00034 -3.12203 D55 0.01518 0.00000 -0.00014 0.00009 -0.00005 0.01513 D56 -3.13526 0.00000 -0.00002 0.00004 0.00002 -3.13524 D57 -3.11116 -0.00000 -0.00013 0.00013 0.00001 -3.11115 D58 0.02158 0.00000 -0.00001 0.00008 0.00008 0.02166 D59 -0.00515 0.00000 0.00055 -0.00023 0.00032 -0.00483 D60 3.12558 0.00001 0.00040 -0.00008 0.00033 3.12591 D61 -3.13784 0.00000 0.00043 -0.00018 0.00024 -3.13759 D62 -0.00711 0.00000 0.00028 -0.00003 0.00025 -0.00685 D63 -0.00075 -0.00000 -0.00045 0.00027 -0.00019 -0.00093 D64 -3.14038 0.00001 -0.00043 0.00030 -0.00013 -3.14051 D65 -3.13138 -0.00000 -0.00031 0.00011 -0.00020 -3.13157 D66 0.01217 0.00000 -0.00028 0.00014 -0.00014 0.01203 D67 -1.31080 0.00001 0.00005 0.00001 0.00006 -1.31074 D68 0.81045 0.00000 0.00037 -0.00024 0.00012 0.81057 D69 2.83162 -0.00001 0.00018 -0.00022 -0.00004 2.83158 D70 1.81950 0.00001 -0.00010 0.00017 0.00007 1.81957 D71 -2.34244 0.00000 0.00022 -0.00008 0.00013 -2.34230 D72 -0.32126 -0.00001 0.00003 -0.00006 -0.00003 -0.32129 D73 -0.00325 -0.00001 -0.00006 -0.00016 -0.00022 -0.00346 D74 3.13187 -0.00000 0.00015 -0.00023 -0.00008 3.13179 D75 3.13640 -0.00001 -0.00009 -0.00019 -0.00027 3.13613 D76 -0.01167 -0.00001 0.00012 -0.00025 -0.00014 -0.01180 D77 -1.15093 -0.00001 -0.00051 -0.00001 -0.00052 -1.15146 D78 0.99601 -0.00001 -0.00068 0.00003 -0.00065 0.99536 D79 3.00810 -0.00001 -0.00070 0.00007 -0.00064 3.00746 D80 3.00730 0.00001 -0.00084 0.00028 -0.00056 3.00674 D81 -1.12895 0.00000 -0.00101 0.00032 -0.00068 -1.12963 D82 0.88314 0.00000 -0.00104 0.00036 -0.00067 0.88247 D83 0.99204 0.00000 -0.00068 0.00018 -0.00050 0.99154 D84 3.13898 -0.00000 -0.00085 0.00022 -0.00063 3.13835 D85 -1.13212 0.00000 -0.00088 0.00026 -0.00062 -1.13273 D86 -3.11727 -0.00000 0.00003 -0.00011 -0.00007 -3.11734 D87 1.03460 -0.00000 -0.00005 -0.00005 -0.00010 1.03450 D88 -0.99416 -0.00000 0.00016 -0.00015 0.00001 -0.99415 D89 1.02110 -0.00000 0.00005 -0.00009 -0.00003 1.02107 D90 -1.11022 -0.00000 -0.00003 -0.00003 -0.00006 -1.11028 D91 -3.13897 -0.00000 0.00018 -0.00013 0.00005 -3.13892 D92 -1.00268 0.00000 0.00017 -0.00016 0.00001 -1.00267 D93 -3.13400 0.00000 0.00009 -0.00011 -0.00002 -3.13402 D94 1.12043 0.00000 0.00030 -0.00021 0.00009 1.12052 D95 1.00677 0.00000 0.00024 -0.00007 0.00017 1.00694 D96 -1.01779 0.00000 0.00038 -0.00013 0.00024 -1.01755 D97 3.13778 0.00000 0.00029 -0.00010 0.00019 3.13797 D98 -3.14003 -0.00000 0.00023 -0.00011 0.00012 -3.13991 D99 1.11859 -0.00000 0.00037 -0.00018 0.00019 1.11879 D100 -1.00902 -0.00000 0.00029 -0.00014 0.00014 -1.00887 D101 -1.11674 -0.00000 0.00008 -0.00002 0.00006 -1.11668 D102 -3.14130 -0.00000 0.00022 -0.00009 0.00013 -3.14117 D103 1.01427 -0.00000 0.00013 -0.00005 0.00008 1.01435 D104 1.04301 0.00000 0.00013 -0.00003 0.00010 1.04311 D105 -1.04918 0.00000 0.00011 -0.00002 0.00009 -1.04909 D106 3.13896 0.00000 0.00013 -0.00003 0.00009 3.13906 D107 -3.10832 0.00000 0.00015 -0.00004 0.00011 -3.10821 D108 1.08268 -0.00000 0.00013 -0.00003 0.00010 1.08278 D109 -1.01237 0.00000 0.00015 -0.00005 0.00010 -1.01227 D110 -1.08408 -0.00000 0.00004 -0.00001 0.00003 -1.08405 D111 3.10692 -0.00000 0.00002 0.00000 0.00002 3.10694 D112 1.01188 -0.00000 0.00003 -0.00001 0.00002 1.01190 Item Value Threshold Converged? Maximum Force 0.000094 0.000450 YES RMS Force 0.000016 0.000300 YES Maximum Displacement 0.013368 0.001800 NO RMS Displacement 0.002330 0.001200 NO Predicted change in Energy=-3.482792D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.019105 -4.614352 2.465164 2 6 0 7.165398 -3.461967 3.447056 3 8 0 6.773137 -5.826463 3.115432 4 8 0 2.850429 -3.699967 -0.930244 5 6 0 3.708472 -3.950429 -0.137329 6 7 0 5.028358 -3.636750 -0.429967 7 6 0 6.139795 -3.815934 0.345023 8 8 0 7.230855 -3.467901 -0.008230 9 7 0 5.892252 -4.410584 1.556736 10 6 0 4.611959 -4.752457 1.936365 11 6 0 3.524487 -4.576812 1.179573 12 1 0 7.894342 -4.685715 1.840510 13 1 0 7.337875 -2.535371 2.913212 14 1 0 8.012847 -3.633975 4.104682 15 1 0 5.191325 -3.205928 -1.315713 16 1 0 4.547713 -5.194337 2.908222 17 6 0 2.176648 -5.011412 1.633188 18 1 0 6.273792 -3.362341 4.056628 19 1 0 7.487897 -6.018519 3.706948 20 6 0 2.001709 -6.250372 2.242829 21 6 0 0.761943 -6.644523 2.713639 22 6 0 -0.352237 -5.824827 2.577621 23 6 0 -0.175845 -4.593409 1.957549 24 6 0 1.062807 -4.190334 1.490476 25 1 0 2.837958 -6.920340 2.338691 26 1 0 0.662155 -7.607127 3.185572 27 6 0 -1.709823 -6.273898 3.078396 28 1 0 -1.018225 -3.934594 1.837433 29 1 0 1.161413 -3.236897 1.008550 30 6 0 -2.396538 -7.328391 2.193610 31 6 0 -2.789499 -6.825766 0.803563 32 1 0 -1.597689 -6.683519 4.078873 33 1 0 -2.361838 -5.410085 3.172873 34 1 0 -1.744022 -8.193016 2.094881 35 1 0 -3.288152 -7.675715 2.711827 36 6 0 -3.499577 -7.889807 -0.035908 37 1 0 -1.905094 -6.483230 0.273601 38 1 0 -3.440572 -5.958442 0.906834 39 1 0 -4.387210 -8.234272 0.491013 40 1 0 -2.850869 -8.757064 -0.139744 41 6 0 -3.897024 -7.386694 -1.423211 42 1 0 -3.026221 -7.066292 -1.987771 43 1 0 -4.574549 -6.540196 -1.353884 44 1 0 -4.395686 -8.162978 -1.995570 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521022 0.000000 3 O 1.397340 2.419646 0.000000 4 O 5.453692 6.151127 6.023048 0.000000 5 C 4.263104 5.003674 4.846868 1.194857 0.000000 6 N 3.646994 4.430440 4.517627 2.235541 1.387851 7 C 2.430156 3.286300 3.481166 3.529827 2.482355 8 O 2.734387 3.455912 3.940759 4.482420 3.557623 9 N 1.461698 2.468620 2.282587 3.992835 2.801874 10 C 2.468411 3.235368 2.685959 3.525361 2.399947 11 C 3.723776 4.431771 3.982826 2.382129 1.469842 12 H 1.077648 2.147070 2.045442 5.838649 4.687643 13 H 2.150471 1.083198 3.345312 6.022093 4.947803 14 H 2.153296 1.086383 2.706012 7.211476 6.051648 15 H 4.429388 5.162024 5.385572 2.423315 2.035123 16 H 2.576909 3.184921 2.322720 4.455080 3.395146 17 C 4.929425 5.529786 4.897864 2.957203 2.570388 18 H 2.157726 1.084650 2.684603 6.058242 4.951363 19 H 1.932220 2.589885 0.947448 6.955957 5.774038 20 C 5.282070 5.990748 4.869052 4.158520 3.723967 21 C 6.582963 7.188240 6.079894 5.129334 4.905934 22 C 7.470916 7.928044 7.145642 5.203578 5.231986 23 C 7.212865 7.575793 7.151885 4.277373 4.459804 24 C 6.050396 6.449833 6.158350 3.048924 3.115581 25 H 4.776564 5.649386 4.157587 4.588779 3.963438 26 H 7.063038 7.716405 6.365516 6.082301 5.804581 27 C 8.906421 9.317319 8.494833 6.594711 6.715453 28 H 8.090413 8.353799 8.118976 4.762517 5.122655 29 H 6.191257 6.484197 6.529644 2.612687 2.882651 30 C 9.802759 10.389947 9.337478 7.103140 7.356293 31 C 10.191172 10.835275 9.888749 6.677238 7.167738 32 H 9.007477 9.357847 8.469563 7.333389 7.307632 33 H 9.441194 9.728236 9.144640 6.850388 7.066590 34 H 9.472926 10.177867 8.898544 7.102665 7.260302 35 H 10.755107 11.294820 10.237782 8.170278 8.423075 36 C 11.297196 12.061447 10.941526 7.660103 8.214922 37 H 9.377472 10.073365 9.155274 5.640106 6.172201 38 H 10.660198 11.188017 10.450607 6.931974 7.498748 39 H 12.128689 12.844292 11.714882 8.658136 9.180750 40 H 11.016533 11.883973 10.573840 7.661849 8.131955 41 C 11.914999 12.708272 11.699826 7.704745 8.444227 42 H 11.258295 12.099488 11.117881 6.854599 7.647798 43 H 12.357460 13.051854 12.216963 7.960947 8.763294 44 H 12.758854 13.615446 12.502970 8.576688 9.320730 6 7 8 9 10 6 N 0.000000 7 C 1.366752 0.000000 8 O 2.248859 1.198468 0.000000 9 N 2.300461 1.372274 2.264868 0.000000 10 C 2.649098 2.396608 3.505731 1.378458 0.000000 11 C 2.394987 2.848727 4.046940 2.403371 1.336481 12 H 3.803848 2.464028 2.311087 2.040732 3.284460 13 H 4.209958 3.109796 3.068532 2.728786 3.646960 14 H 5.428649 4.204339 4.189885 3.404713 4.185527 15 H 0.998355 2.007423 2.436765 3.192720 3.647387 16 H 3.714917 3.317335 4.322676 2.061206 1.069529 17 C 3.778697 4.335328 5.533687 3.764645 2.467735 18 H 4.664327 3.741620 4.177342 2.737489 3.031440 19 H 5.369937 4.239257 4.513787 3.123291 3.606784 20 C 4.809934 5.162550 6.336670 4.357967 3.025075 21 C 6.093541 6.521698 7.703656 5.713928 4.359666 22 C 6.540954 7.153086 8.351348 6.483513 5.119027 23 C 5.805097 6.564451 7.745338 6.084067 4.790492 24 C 4.440738 5.218050 6.388493 4.834919 3.620950 25 H 4.821336 4.951179 6.060108 4.029769 2.829958 26 H 6.920964 7.241989 8.395319 6.342311 5.030966 27 C 8.041532 8.667723 9.865931 7.973640 6.601814 28 H 6.464594 7.312908 8.465908 6.932536 5.690137 29 H 4.145175 5.055675 6.158355 4.904986 3.881241 30 C 8.697152 9.414012 10.603687 8.810406 7.471322 31 C 8.532896 9.434069 10.599140 9.042853 7.769391 32 H 8.574202 9.057226 10.246356 8.223541 6.846830 33 H 8.410718 9.100320 10.291320 8.470001 7.113036 34 H 8.543977 9.185609 10.358484 8.538681 7.229182 35 H 9.764653 10.458770 11.651348 9.811990 8.459228 36 C 9.537790 10.471821 11.605869 10.141399 8.917951 37 H 7.527962 8.475837 9.624822 8.169511 6.944951 38 H 8.882571 9.833077 10.996340 9.482607 8.207167 39 H 10.518475 11.417568 12.567695 11.019242 9.756901 40 H 9.401280 10.270434 11.385680 9.910202 8.720144 41 C 9.731960 10.798829 11.882289 10.656793 9.519913 42 H 8.891836 10.001130 11.048737 9.957684 8.893507 43 H 10.074693 11.185037 12.272626 11.070722 9.920367 44 H 10.571209 11.634927 12.695264 11.512646 10.403338 11 12 13 14 15 11 C 0.000000 12 H 4.420896 0.000000 13 H 4.659926 2.466642 0.000000 14 H 5.439722 2.499335 1.755597 0.000000 15 H 3.299110 4.411101 4.789690 6.125757 0.000000 16 H 2.101561 3.549454 3.854235 3.984143 4.712710 17 C 1.487049 5.730714 5.865791 6.485895 4.587381 18 H 4.160656 3.047734 1.767358 1.760798 5.482541 19 H 4.916783 2.329196 3.575590 2.473826 6.197745 20 C 2.500035 6.110085 6.536461 6.815117 5.666173 21 C 3.776299 7.447844 7.756793 7.973331 6.905001 22 C 4.305935 8.357450 8.370841 8.781025 7.262766 23 C 3.781267 8.071563 7.848872 8.519705 6.437846 24 C 2.511154 6.858410 6.643761 7.446252 5.088066 25 H 2.703147 5.550563 6.309301 6.379530 5.717505 26 H 4.625991 7.915072 8.388214 8.406151 7.755354 27 C 5.820965 9.812985 9.791053 10.126835 8.737648 28 H 4.634809 8.944162 8.540464 9.316172 7.002271 29 H 2.721900 6.937115 6.501428 7.529001 4.652242 30 C 6.607420 10.630646 10.874266 11.209648 9.321251 31 C 6.713092 10.945297 11.199188 11.737786 9.015993 32 H 6.251468 9.954905 9.920192 10.082797 9.342693 33 H 6.270281 10.367697 10.120072 10.566785 9.058477 34 H 6.455378 10.259820 10.731238 10.955394 9.197947 35 H 7.639572 11.608077 11.805768 12.082562 10.397193 36 C 7.860713 11.983678 12.442574 12.953475 9.955321 37 H 5.825424 10.085395 10.391612 11.007315 7.976578 38 H 7.106007 11.444293 11.485551 12.116526 9.328757 39 H 8.743345 12.854956 13.259794 13.710680 10.967991 40 H 7.736943 11.660053 12.322358 12.738977 9.842505 41 C 8.351572 12.529304 12.983176 13.655971 10.004422 42 H 7.690342 11.814464 12.327342 13.067510 9.103962 43 H 8.710205 13.004479 13.272248 14.024429 10.319452 44 H 9.255878 13.336103 13.908363 14.549799 10.814127 16 17 18 19 20 16 H 0.000000 17 C 2.698356 0.000000 18 H 2.766657 5.037766 0.000000 19 H 3.156250 5.790001 2.941362 0.000000 20 C 2.835507 1.391866 5.466378 5.682927 0.000000 21 C 4.058689 2.415743 6.554145 6.827664 1.383486 22 C 4.951397 2.819372 7.221881 7.923421 2.415416 23 C 4.855605 2.411257 6.893437 7.989009 2.751118 24 C 3.893918 1.391106 5.867288 7.038238 2.385651 25 H 2.495339 2.139877 5.235993 4.930247 1.075807 26 H 4.582144 3.382503 7.089952 7.027536 2.126958 27 C 6.352257 4.334415 8.554076 9.222708 3.804496 28 H 5.806308 3.377642 7.643678 8.954995 3.827163 29 H 4.348259 2.137703 5.953397 7.419108 3.363120 30 C 7.299828 5.157179 9.714680 10.085039 4.528700 31 C 7.805501 5.351895 10.233328 10.710096 5.035696 32 H 6.430712 4.798223 8.543473 9.117479 4.063784 33 H 6.917983 4.809099 8.918990 9.882950 4.540001 34 H 7.017088 5.070248 9.563953 9.620578 4.222114 35 H 8.221715 6.174627 10.575654 10.948050 5.498562 36 C 8.982892 6.579557 11.522393 11.757350 6.176126 37 H 7.088102 4.547014 9.536530 10.011598 4.381231 38 H 8.270557 5.742614 10.537068 11.281652 5.611464 39 H 9.742533 7.401055 12.251786 12.500798 6.915417 40 H 8.759118 6.515300 11.400527 11.366035 5.958831 41 C 9.740705 7.202293 12.233951 12.562120 7.037480 42 H 9.210833 6.663611 11.693770 12.003096 6.621464 43 H 10.158374 7.539127 12.532314 13.091477 7.501167 44 H 10.622825 8.142225 13.172433 13.354286 7.908777 21 22 23 24 25 21 C 0.000000 22 C 1.389892 0.000000 23 C 2.378694 1.389962 0.000000 24 C 2.758566 2.419877 1.383794 0.000000 25 H 2.127557 3.381506 3.826603 3.365050 0.000000 26 H 1.076701 2.138968 3.360473 3.835146 2.433723 27 C 2.525874 1.515084 2.536421 3.814473 4.652673 28 H 3.358639 2.136446 1.076136 2.125200 4.902662 29 H 3.831294 3.383859 2.128140 1.072855 4.260027 30 C 3.273242 2.566580 3.530911 4.723226 5.252381 31 C 4.036581 3.176382 3.625782 4.717798 5.833853 32 H 2.726399 2.131258 3.300033 4.471466 4.770670 33 H 3.390095 2.136547 2.631072 4.005802 5.478560 34 H 3.010075 2.788981 3.928767 4.925957 4.761690 35 H 4.179310 3.473239 4.444773 5.707051 6.183773 36 C 5.222193 4.582622 5.087957 6.068879 6.836881 37 H 3.618410 2.855410 3.065519 3.942917 5.191551 38 H 4.625623 3.513857 3.691309 4.873116 6.511176 39 H 5.829335 5.142019 5.756927 6.859668 7.572541 40 H 5.065278 4.714366 5.374981 6.231332 6.471395 41 C 6.274577 5.568806 5.751448 6.580745 7.728478 42 H 6.052382 5.434540 5.459427 6.090113 7.288908 43 H 6.710721 5.813467 5.839877 6.737360 8.290047 44 H 7.147272 6.536858 6.795295 7.597997 8.523824 26 27 28 29 30 26 H 0.000000 27 C 2.723098 0.000000 28 H 4.257776 2.736904 0.000000 29 H 4.907911 4.663864 2.434060 0.000000 30 C 3.227582 1.538304 3.680281 5.550108 0.000000 31 C 4.265959 2.577813 3.544740 5.341508 1.529470 32 H 2.599602 1.086885 3.593943 5.377614 2.146680 33 H 3.737872 1.086380 2.401203 4.671225 2.154079 34 H 2.706023 2.156730 4.327496 5.846775 1.087705 35 H 3.979204 2.142566 4.462413 6.511750 1.088190 36 C 5.270470 3.938689 5.030927 6.668230 2.550026 37 H 4.041471 2.819366 3.118919 4.525736 2.154588 38 H 4.974251 2.794760 3.290857 5.347468 2.150014 39 H 5.757607 4.207851 5.625846 7.485239 2.771683 40 H 4.972064 4.221910 5.524856 6.920204 2.773457 41 C 6.486569 5.127048 5.553042 6.980119 3.916152 42 H 6.376527 5.294038 5.335894 6.417046 4.236643 43 H 7.011994 5.284191 5.442528 7.028096 4.236708 44 H 7.261884 6.043808 6.631621 8.010765 4.716181 31 32 33 34 35 31 C 0.000000 32 H 3.488309 0.000000 33 H 2.792969 1.739653 0.000000 34 H 2.151719 2.497242 3.047698 0.000000 35 H 2.147682 2.389756 2.490723 1.741425 0.000000 36 C 1.530067 4.690814 4.211857 2.777440 2.764160 37 H 1.086446 3.822919 3.125065 2.503272 3.046279 38 H 1.089409 3.739490 2.568909 3.046811 2.496049 39 H 2.152732 4.801979 4.389821 3.092012 2.540064 40 H 2.150234 4.864852 4.734432 2.556719 3.080907 41 C 2.549465 6.004525 5.233332 4.202683 4.189606 42 H 2.811661 6.244309 5.460464 4.425109 4.746180 43 H 2.814699 6.196538 5.163794 4.757907 4.412961 44 H 3.493297 6.849558 6.199013 4.874835 4.860416 36 37 38 39 40 36 C 0.000000 37 H 2.148635 0.000000 38 H 2.149980 1.741861 0.000000 39 H 1.088207 3.045376 2.499687 0.000000 40 H 1.087998 2.497132 3.045548 1.741123 0.000000 41 C 1.528298 2.768249 2.770805 2.150098 2.149335 42 H 2.170717 2.590500 3.126941 3.059549 2.510909 43 H 2.171192 3.126970 2.595224 2.511700 3.059365 44 H 2.172075 3.764803 3.767781 2.487620 2.486662 41 42 43 44 41 C 0.000000 42 H 1.086133 0.000000 43 H 1.086464 1.753827 0.000000 44 H 1.085761 1.754485 1.754188 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.790034 -0.966585 0.537839 2 6 0 -5.347740 -1.529892 -0.760296 3 8 0 -4.244630 -1.965310 1.348790 4 8 0 -0.836023 2.643056 -0.500931 5 6 0 -1.638531 1.791069 -0.260555 6 7 0 -2.965473 2.136690 -0.046308 7 6 0 -4.028953 1.318385 0.213298 8 8 0 -5.143760 1.737991 0.345442 9 7 0 -3.708996 -0.013677 0.293125 10 6 0 -2.417986 -0.451673 0.089167 11 6 0 -1.377648 0.347685 -0.165598 12 1 0 -5.553752 -0.419384 1.065694 13 1 0 -5.747061 -0.731247 -1.373506 14 1 0 -6.153187 -2.228351 -0.551400 15 1 0 -3.181097 3.109609 -0.106707 16 1 0 -2.299594 -1.512071 0.162856 17 6 0 -0.000403 -0.188477 -0.330040 18 1 0 -4.575712 -2.053342 -1.313865 19 1 0 -4.912788 -2.604384 1.555690 20 6 0 0.488527 -1.159086 0.539533 21 6 0 1.749570 -1.701175 0.366492 22 6 0 2.575913 -1.282180 -0.669558 23 6 0 2.088647 -0.304151 -1.528643 24 6 0 0.825718 0.237291 -1.365135 25 1 0 -0.114899 -1.485240 1.368304 26 1 0 2.095196 -2.454531 1.053720 27 6 0 3.963133 -1.867399 -0.838725 28 1 0 2.703085 0.041535 -2.341685 29 1 0 0.484714 0.997195 -2.041361 30 6 0 4.998456 -1.351455 0.175320 31 6 0 5.329014 0.135500 0.037569 32 1 0 3.901896 -2.948833 -0.748897 33 1 0 4.318934 -1.663718 -1.844777 34 1 0 4.642747 -1.551384 1.183587 35 1 0 5.910650 -1.931872 0.052123 36 6 0 6.385943 0.606045 1.038865 37 1 0 4.426005 0.725675 0.166533 38 1 0 5.682198 0.331959 -0.974102 39 1 0 7.292830 0.018208 0.911596 40 1 0 6.035032 0.410199 2.049927 41 6 0 6.720413 2.090668 0.898440 42 1 0 5.839589 2.706826 1.053949 43 1 0 7.107570 2.313224 -0.092006 44 1 0 7.469996 2.395534 1.622359 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6060972 0.1065781 0.0968024 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.7119451598 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.84D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 0.000068 0.000011 -0.000020 Ang= 0.01 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -990.116181293 A.U. after 8 cycles NFock= 8 Conv=0.95D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000014500 -0.000038148 0.000018493 2 6 -0.000003394 0.000005460 -0.000003526 3 8 0.000034982 0.000017509 -0.000008630 4 8 0.000021656 -0.000004163 -0.000006173 5 6 -0.000071700 0.000052966 0.000061059 6 7 0.000077548 -0.000109144 -0.000023922 7 6 -0.000021536 0.000066865 -0.000043681 8 8 0.000000153 -0.000016335 0.000006377 9 7 -0.000095184 0.000032558 0.000046247 10 6 0.000067140 -0.000005921 -0.000023582 11 6 -0.000004955 -0.000003717 -0.000038329 12 1 -0.000002739 -0.000003692 0.000004286 13 1 -0.000001626 -0.000007242 0.000000245 14 1 -0.000001983 -0.000000561 -0.000001305 15 1 -0.000004428 0.000020590 0.000010739 16 1 0.000000414 -0.000001764 0.000008815 17 6 -0.000005371 -0.000011338 0.000005329 18 1 0.000003205 -0.000001950 -0.000004010 19 1 -0.000013453 -0.000002595 -0.000001545 20 6 0.000002796 0.000007733 -0.000005722 21 6 0.000001551 0.000013803 0.000004065 22 6 -0.000008629 -0.000005997 -0.000006557 23 6 0.000025963 0.000010659 -0.000017106 24 6 -0.000011480 0.000005006 0.000000380 25 1 0.000012450 -0.000001163 -0.000001903 26 1 -0.000009465 -0.000004421 0.000008057 27 6 -0.000025848 -0.000005674 0.000013366 28 1 0.000005763 0.000007328 0.000011530 29 1 -0.000002476 -0.000006351 -0.000002838 30 6 0.000002902 -0.000015873 0.000012368 31 6 -0.000008166 -0.000004531 -0.000022326 32 1 0.000010764 0.000002636 -0.000011633 33 1 0.000005298 0.000005074 0.000013285 34 1 0.000008297 0.000001599 -0.000002733 35 1 0.000002517 0.000008244 -0.000012527 36 6 0.000006708 0.000001989 0.000003442 37 1 -0.000002097 -0.000012906 0.000006779 38 1 -0.000009226 -0.000005962 0.000002453 39 1 -0.000003014 0.000003178 -0.000000209 40 1 0.000000831 0.000004614 -0.000002780 41 6 -0.000000461 0.000001369 0.000000618 42 1 -0.000002052 -0.000000333 0.000000829 43 1 0.000001793 -0.000001792 -0.000001083 44 1 0.000002051 0.000002392 0.000003357 ------------------------------------------------------------------- Cartesian Forces: Max 0.000109144 RMS 0.000022529 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000056390 RMS 0.000010335 Search for a local minimum. Step number 26 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 20 21 22 23 24 25 26 DE= -4.29D-07 DEPred=-3.48D-07 R= 1.23D+00 Trust test= 1.23D+00 RLast= 1.30D-02 DXMaxT set to 7.81D-01 ITU= 0 0 1 1 1 1 1 1 1 1 1 1 0 0 -1 -1 1 -1 1 1 ITU= 1 1 0 1 1 0 Eigenvalues --- 0.00154 0.00232 0.00238 0.00271 0.00289 Eigenvalues --- 0.00302 0.00356 0.00699 0.01275 0.01478 Eigenvalues --- 0.01500 0.01554 0.01587 0.01795 0.01883 Eigenvalues --- 0.02034 0.02056 0.02139 0.02193 0.02255 Eigenvalues --- 0.02430 0.02459 0.02478 0.02614 0.02661 Eigenvalues --- 0.03422 0.03433 0.03631 0.04353 0.04731 Eigenvalues --- 0.04764 0.04838 0.05208 0.05365 0.05430 Eigenvalues --- 0.05454 0.05507 0.05596 0.05775 0.06151 Eigenvalues --- 0.06634 0.08364 0.08369 0.08615 0.08709 Eigenvalues --- 0.09726 0.12245 0.12251 0.12409 0.13086 Eigenvalues --- 0.14372 0.15812 0.15965 0.15988 0.15996 Eigenvalues --- 0.16001 0.16010 0.16019 0.16054 0.16110 Eigenvalues --- 0.16198 0.16221 0.16343 0.18813 0.20327 Eigenvalues --- 0.21026 0.21717 0.21908 0.22008 0.22159 Eigenvalues --- 0.22656 0.23045 0.23533 0.23982 0.24580 Eigenvalues --- 0.24986 0.25025 0.25363 0.26296 0.27297 Eigenvalues --- 0.28102 0.28308 0.28912 0.29169 0.29650 Eigenvalues --- 0.30295 0.31583 0.32147 0.33086 0.33535 Eigenvalues --- 0.33566 0.33678 0.33695 0.33702 0.33729 Eigenvalues --- 0.33739 0.33746 0.33770 0.33787 0.33794 Eigenvalues --- 0.33909 0.33972 0.34147 0.34841 0.35269 Eigenvalues --- 0.37369 0.37788 0.38058 0.38272 0.39108 Eigenvalues --- 0.40615 0.41712 0.43909 0.45068 0.49044 Eigenvalues --- 0.49608 0.51309 0.51986 0.52591 0.54601 Eigenvalues --- 0.55953 0.56708 0.57005 0.60197 0.88337 Eigenvalues --- 0.91213 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 26 25 24 23 22 21 20 19 18 17 RFO step: Lambda=-2.89061622D-07. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. RFO-DIIS uses 4 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.61470 -0.44206 -0.55512 0.38248 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00138198 RMS(Int)= 0.00000048 Iteration 2 RMS(Cart)= 0.00000087 RMS(Int)= 0.00000011 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87431 -0.00001 -0.00003 0.00000 -0.00002 2.87429 R2 2.64059 -0.00002 -0.00007 0.00001 -0.00006 2.64053 R3 2.76221 0.00003 0.00009 -0.00001 0.00008 2.76229 R4 2.03646 -0.00000 -0.00003 0.00000 -0.00003 2.03643 R5 2.04695 -0.00001 -0.00000 -0.00001 -0.00001 2.04694 R6 2.05297 -0.00000 0.00000 0.00000 0.00000 2.05297 R7 2.04969 -0.00001 -0.00001 -0.00000 -0.00001 2.04968 R8 1.79042 -0.00001 -0.00002 0.00001 -0.00001 1.79041 R9 2.25795 -0.00001 -0.00002 0.00001 -0.00002 2.25794 R10 2.62266 0.00003 0.00013 -0.00000 0.00013 2.62279 R11 2.77760 -0.00002 -0.00012 0.00001 -0.00011 2.77749 R12 2.58279 -0.00004 -0.00008 -0.00002 -0.00010 2.58269 R13 1.88662 -0.00000 -0.00001 0.00000 -0.00001 1.88661 R14 2.26478 -0.00001 0.00001 -0.00001 -0.00000 2.26477 R15 2.59322 0.00002 0.00005 0.00003 0.00008 2.59330 R16 2.60491 -0.00006 -0.00016 -0.00001 -0.00017 2.60474 R17 2.52558 0.00002 0.00004 0.00002 0.00006 2.52564 R18 2.02112 0.00001 0.00003 -0.00000 0.00003 2.02115 R19 2.81012 -0.00000 -0.00000 0.00001 0.00001 2.81013 R20 2.63024 -0.00001 0.00002 0.00002 0.00003 2.63028 R21 2.62881 0.00000 -0.00012 0.00007 -0.00005 2.62876 R22 2.61441 0.00000 -0.00007 0.00003 -0.00004 2.61437 R23 2.03298 0.00001 0.00003 0.00000 0.00003 2.03301 R24 2.62652 -0.00001 0.00002 -0.00001 0.00002 2.62653 R25 2.03467 0.00001 0.00000 0.00001 0.00001 2.03468 R26 2.62665 0.00002 -0.00002 0.00002 -0.00000 2.62664 R27 2.86309 0.00001 0.00004 0.00000 0.00005 2.86314 R28 2.61499 -0.00001 0.00003 -0.00000 0.00002 2.61501 R29 2.03360 -0.00000 -0.00001 0.00001 -0.00001 2.03360 R30 2.02740 -0.00000 -0.00000 -0.00001 -0.00002 2.02738 R31 2.90697 0.00002 -0.00008 0.00007 -0.00001 2.90696 R32 2.05391 -0.00001 0.00001 -0.00002 -0.00001 2.05390 R33 2.05296 0.00000 0.00001 0.00000 0.00001 2.05297 R34 2.89028 0.00001 0.00001 0.00001 0.00002 2.89030 R35 2.05546 0.00000 0.00002 -0.00001 0.00002 2.05548 R36 2.05638 -0.00001 -0.00002 -0.00000 -0.00002 2.05636 R37 2.89141 -0.00001 -0.00008 0.00002 -0.00006 2.89135 R38 2.05309 -0.00001 0.00002 -0.00002 -0.00000 2.05308 R39 2.05869 0.00000 0.00001 -0.00001 0.00001 2.05869 R40 2.05641 0.00000 0.00002 -0.00001 0.00001 2.05642 R41 2.05602 -0.00000 0.00001 -0.00001 -0.00000 2.05602 R42 2.88806 -0.00000 -0.00003 0.00002 -0.00002 2.88805 R43 2.05249 -0.00000 -0.00000 -0.00000 -0.00000 2.05249 R44 2.05312 -0.00000 -0.00000 -0.00000 -0.00000 2.05312 R45 2.05179 -0.00000 -0.00001 -0.00000 -0.00001 2.05178 A1 1.95382 0.00000 0.00008 -0.00002 0.00006 1.95388 A2 1.94951 -0.00002 -0.00013 0.00004 -0.00010 1.94942 A3 1.92436 0.00000 0.00006 -0.00005 0.00001 1.92437 A4 1.84880 0.00001 -0.00001 0.00010 0.00009 1.84889 A5 1.93399 -0.00001 0.00007 -0.00009 -0.00002 1.93398 A6 1.84950 0.00000 -0.00008 0.00003 -0.00005 1.84945 A7 1.92332 -0.00000 -0.00003 -0.00001 -0.00004 1.92328 A8 1.92393 0.00000 0.00002 0.00001 0.00003 1.92396 A9 1.93192 -0.00000 0.00005 -0.00002 0.00003 1.93195 A10 1.88553 0.00000 0.00000 0.00000 0.00001 1.88554 A11 1.90635 0.00000 -0.00002 -0.00000 -0.00003 1.90633 A12 1.89186 0.00000 -0.00002 0.00001 -0.00001 1.89185 A13 1.91089 0.00001 0.00008 0.00003 0.00011 1.91100 A14 2.08937 -0.00001 -0.00006 -0.00003 -0.00010 2.08927 A15 2.20682 0.00002 0.00010 0.00003 0.00013 2.20695 A16 1.98699 -0.00001 -0.00004 0.00000 -0.00003 1.98695 A17 2.24488 0.00000 -0.00000 0.00003 0.00003 2.24490 A18 2.02623 -0.00000 0.00000 -0.00006 -0.00006 2.02617 A19 2.01186 -0.00000 -0.00002 0.00001 -0.00000 2.01186 A20 2.13543 0.00002 0.00003 0.00004 0.00006 2.13550 A21 1.99413 -0.00001 -0.00002 -0.00003 -0.00005 1.99409 A22 2.15355 -0.00001 -0.00001 -0.00000 -0.00002 2.15354 A23 2.06022 -0.00001 0.00013 -0.00003 0.00011 2.06032 A24 2.10632 0.00001 -0.00008 0.00004 -0.00005 2.10627 A25 2.11553 0.00001 0.00002 -0.00001 0.00001 2.11554 A26 2.17389 0.00000 0.00002 0.00004 0.00006 2.17395 A27 1.99162 -0.00000 0.00010 -0.00006 0.00004 1.99166 A28 2.11761 -0.00000 -0.00012 0.00002 -0.00010 2.11751 A29 2.05047 -0.00000 0.00002 -0.00005 -0.00003 2.05045 A30 2.10750 0.00002 0.00011 0.00006 0.00016 2.10766 A31 2.12512 -0.00001 -0.00012 -0.00001 -0.00013 2.12499 A32 2.10329 -0.00002 -0.00014 -0.00001 -0.00015 2.10314 A33 2.11992 0.00001 0.00009 0.00004 0.00013 2.12005 A34 2.05974 0.00001 0.00005 -0.00004 0.00002 2.05976 A35 2.11214 -0.00000 -0.00001 0.00000 -0.00000 2.11213 A36 2.08941 -0.00001 -0.00010 0.00004 -0.00007 2.08934 A37 2.08154 0.00001 0.00011 -0.00004 0.00007 2.08161 A38 2.11418 0.00001 -0.00002 0.00002 0.00000 2.11418 A39 2.07936 0.00001 0.00002 0.00002 0.00004 2.07940 A40 2.08962 -0.00001 -0.00000 -0.00004 -0.00005 2.08957 A41 2.05377 -0.00001 -0.00000 -0.00002 -0.00002 2.05374 A42 2.10732 -0.00003 0.00002 -0.00009 -0.00007 2.10724 A43 2.12205 0.00004 -0.00001 0.00011 0.00010 2.12214 A44 2.12026 0.00000 0.00002 0.00001 0.00003 2.12028 A45 2.08613 0.00000 -0.00001 0.00001 -0.00000 2.08613 A46 2.07679 -0.00000 -0.00001 -0.00002 -0.00003 2.07676 A47 2.10616 -0.00000 -0.00005 0.00002 -0.00003 2.10613 A48 2.09097 0.00000 0.00005 -0.00001 0.00003 2.09100 A49 2.08604 0.00000 -0.00000 -0.00000 -0.00001 2.08604 A50 1.99662 -0.00001 0.00009 -0.00007 0.00002 1.99664 A51 1.90023 -0.00001 -0.00009 -0.00005 -0.00014 1.90010 A52 1.90800 0.00000 -0.00005 0.00007 0.00002 1.90802 A53 1.89352 0.00000 -0.00001 -0.00003 -0.00004 1.89349 A54 1.90408 0.00002 0.00013 0.00004 0.00017 1.90425 A55 1.85619 -0.00000 -0.00008 0.00005 -0.00003 1.85615 A56 1.99562 0.00002 -0.00002 0.00006 0.00004 1.99566 A57 1.90636 -0.00001 0.00002 -0.00006 -0.00004 1.90632 A58 1.88668 -0.00000 0.00005 -0.00000 0.00004 1.88672 A59 1.91014 -0.00001 -0.00007 0.00002 -0.00005 1.91008 A60 1.90412 -0.00001 0.00004 -0.00007 -0.00002 1.90409 A61 1.85568 0.00001 -0.00001 0.00005 0.00003 1.85571 A62 1.97071 0.00001 0.00007 -0.00002 0.00005 1.97076 A63 1.91537 -0.00001 -0.00009 0.00002 -0.00006 1.91530 A64 1.90607 -0.00000 0.00002 -0.00002 -0.00000 1.90607 A65 1.90647 -0.00000 0.00003 -0.00003 -0.00001 1.90646 A66 1.90531 -0.00001 -0.00002 -0.00001 -0.00003 1.90528 A67 1.85639 0.00001 -0.00001 0.00006 0.00005 1.85645 A68 1.91029 0.00000 0.00000 0.00000 0.00000 1.91030 A69 1.90709 0.00000 0.00004 -0.00002 0.00002 1.90710 A70 1.97120 -0.00000 0.00001 -0.00002 -0.00001 1.97119 A71 1.85483 0.00000 -0.00004 0.00005 0.00001 1.85484 A72 1.90882 -0.00000 -0.00000 -0.00001 -0.00001 1.90881 A73 1.90798 -0.00000 -0.00001 -0.00000 -0.00001 1.90797 A74 1.93954 0.00000 0.00001 -0.00000 0.00001 1.93955 A75 1.93986 0.00000 0.00002 -0.00001 0.00001 1.93987 A76 1.94184 -0.00000 -0.00003 0.00001 -0.00002 1.94182 A77 1.87895 -0.00000 -0.00001 0.00000 -0.00000 1.87895 A78 1.88087 0.00000 0.00000 -0.00000 0.00000 1.88087 A79 1.87998 0.00000 0.00000 0.00000 0.00000 1.87999 D1 -3.12459 -0.00000 0.00005 -0.00018 -0.00013 -3.12473 D2 1.07898 -0.00000 0.00006 -0.00019 -0.00014 1.07885 D3 -1.01395 -0.00000 0.00003 -0.00020 -0.00017 -1.01411 D4 -1.05453 0.00000 -0.00000 -0.00004 -0.00005 -1.05458 D5 -3.13415 0.00000 0.00000 -0.00005 -0.00005 -3.13420 D6 1.05611 0.00000 -0.00002 -0.00006 -0.00008 1.05603 D7 0.99705 0.00000 -0.00014 -0.00002 -0.00016 0.99689 D8 -1.08256 0.00000 -0.00013 -0.00003 -0.00016 -1.08272 D9 3.10770 -0.00000 -0.00016 -0.00004 -0.00019 3.10750 D10 -1.03464 -0.00000 0.00087 0.00013 0.00100 -1.03364 D11 3.11971 0.00001 0.00100 0.00003 0.00103 3.12074 D12 1.12149 0.00000 0.00106 -0.00001 0.00104 1.12253 D13 1.63247 0.00001 0.00220 0.00003 0.00223 1.63470 D14 -1.45891 -0.00001 0.00078 -0.00006 0.00072 -1.45819 D15 -2.51913 0.00001 0.00221 0.00009 0.00231 -2.51682 D16 0.67268 -0.00000 0.00079 0.00000 0.00080 0.67347 D17 -0.46363 0.00001 0.00225 0.00005 0.00231 -0.46132 D18 2.72818 -0.00000 0.00083 -0.00004 0.00079 2.72897 D19 3.11734 -0.00001 -0.00076 -0.00050 -0.00126 3.11608 D20 -0.00057 0.00002 0.00026 0.00026 0.00051 -0.00006 D21 -0.01948 -0.00003 -0.00105 -0.00060 -0.00165 -0.02113 D22 -3.13740 -0.00000 -0.00003 0.00015 0.00013 -3.13727 D23 -3.12004 -0.00001 0.00044 0.00025 0.00069 -3.11935 D24 0.03596 -0.00000 0.00039 0.00025 0.00063 0.03659 D25 0.01640 0.00002 0.00074 0.00036 0.00110 0.01751 D26 -3.11078 0.00002 0.00069 0.00036 0.00105 -3.10973 D27 -3.10528 0.00001 0.00035 0.00037 0.00073 -3.10455 D28 0.02452 0.00002 0.00038 0.00047 0.00085 0.02537 D29 0.01280 -0.00002 -0.00066 -0.00038 -0.00104 0.01176 D30 -3.14059 -0.00001 -0.00064 -0.00028 -0.00091 -3.14150 D31 -3.11778 -0.00002 -0.00082 -0.00019 -0.00101 -3.11879 D32 -0.02668 -0.00000 0.00061 -0.00010 0.00051 -0.02617 D33 0.01188 -0.00000 -0.00079 -0.00009 -0.00089 0.01099 D34 3.10298 0.00001 0.00063 0.00000 0.00063 3.10361 D35 3.11849 0.00000 0.00060 0.00003 0.00063 3.11912 D36 -0.03550 0.00001 0.00072 0.00004 0.00076 -0.03474 D37 0.02872 -0.00001 -0.00086 -0.00007 -0.00093 0.02779 D38 -3.12527 -0.00001 -0.00075 -0.00005 -0.00080 -3.12607 D39 -0.02246 0.00000 0.00012 -0.00007 0.00005 -0.02241 D40 3.10457 -0.00000 0.00017 -0.00007 0.00011 3.10467 D41 3.13238 -0.00000 -0.00000 -0.00009 -0.00009 3.13229 D42 -0.02377 -0.00000 0.00005 -0.00009 -0.00004 -0.02381 D43 2.36458 0.00001 0.00020 0.00040 0.00060 2.36518 D44 -0.80120 0.00000 0.00045 0.00012 0.00058 -0.80063 D45 -0.76198 0.00001 0.00014 0.00040 0.00054 -0.76144 D46 2.35542 0.00000 0.00040 0.00012 0.00052 2.35594 D47 3.09923 -0.00000 0.00007 -0.00018 -0.00011 3.09912 D48 -0.05773 -0.00000 -0.00001 -0.00009 -0.00010 -0.05783 D49 -0.01899 -0.00000 -0.00017 0.00009 -0.00009 -0.01908 D50 3.10723 0.00000 -0.00026 0.00018 -0.00008 3.10715 D51 -3.10478 0.00000 -0.00002 0.00009 0.00007 -3.10470 D52 0.04317 0.00000 -0.00006 0.00014 0.00008 0.04325 D53 0.01321 -0.00000 0.00023 -0.00018 0.00005 0.01326 D54 -3.12203 -0.00000 0.00019 -0.00013 0.00006 -3.12197 D55 0.01513 0.00000 0.00002 0.00009 0.00011 0.01524 D56 -3.13524 0.00000 -0.00004 0.00008 0.00004 -3.13520 D57 -3.11115 0.00000 0.00011 -0.00001 0.00010 -3.11105 D58 0.02166 -0.00000 0.00004 -0.00001 0.00003 0.02169 D59 -0.00483 -0.00000 0.00007 -0.00016 -0.00009 -0.00492 D60 3.12591 -0.00000 0.00021 -0.00020 0.00001 3.12592 D61 -3.13759 -0.00000 0.00014 -0.00015 -0.00002 -3.13761 D62 -0.00685 -0.00000 0.00027 -0.00020 0.00007 -0.00678 D63 -0.00093 0.00000 -0.00001 0.00006 0.00005 -0.00088 D64 -3.14051 0.00001 0.00002 0.00016 0.00018 -3.14033 D65 -3.13157 0.00000 -0.00015 0.00011 -0.00004 -3.13162 D66 0.01203 0.00001 -0.00011 0.00020 0.00009 0.01212 D67 -1.31074 0.00001 0.00049 -0.00018 0.00030 -1.31044 D68 0.81057 -0.00000 0.00047 -0.00031 0.00016 0.81074 D69 2.83158 -0.00001 0.00029 -0.00023 0.00006 2.83164 D70 1.81957 0.00001 0.00063 -0.00023 0.00040 1.81997 D71 -2.34230 0.00000 0.00061 -0.00035 0.00026 -2.34205 D72 -0.32129 -0.00000 0.00043 -0.00028 0.00015 -0.32114 D73 -0.00346 -0.00000 -0.00014 0.00011 -0.00003 -0.00349 D74 3.13179 -0.00000 -0.00010 0.00006 -0.00004 3.13175 D75 3.13613 -0.00001 -0.00018 0.00002 -0.00016 3.13597 D76 -0.01180 -0.00001 -0.00014 -0.00003 -0.00017 -0.01197 D77 -1.15146 -0.00001 -0.00053 0.00017 -0.00035 -1.15181 D78 0.99536 -0.00001 -0.00062 0.00020 -0.00042 0.99494 D79 3.00746 -0.00001 -0.00060 0.00022 -0.00038 3.00708 D80 3.00674 0.00001 -0.00047 0.00031 -0.00016 3.00658 D81 -1.12963 0.00001 -0.00056 0.00033 -0.00023 -1.12986 D82 0.88247 0.00001 -0.00054 0.00035 -0.00019 0.88228 D83 0.99154 -0.00000 -0.00043 0.00025 -0.00019 0.99135 D84 3.13835 0.00000 -0.00053 0.00027 -0.00026 3.13809 D85 -1.13273 0.00000 -0.00051 0.00029 -0.00022 -1.13295 D86 -3.11734 -0.00000 -0.00017 -0.00006 -0.00023 -3.11757 D87 1.03450 -0.00000 -0.00019 -0.00002 -0.00021 1.03428 D88 -0.99415 -0.00000 -0.00014 -0.00009 -0.00024 -0.99439 D89 1.02107 -0.00000 -0.00013 -0.00004 -0.00017 1.02090 D90 -1.11028 0.00000 -0.00015 0.00000 -0.00015 -1.11043 D91 -3.13892 -0.00000 -0.00010 -0.00007 -0.00017 -3.13910 D92 -1.00267 0.00000 -0.00010 -0.00007 -0.00016 -1.00284 D93 -3.13402 0.00000 -0.00011 -0.00003 -0.00015 -3.13417 D94 1.12052 -0.00000 -0.00006 -0.00011 -0.00017 1.12035 D95 1.00694 0.00000 0.00007 -0.00006 0.00001 1.00695 D96 -1.01755 -0.00000 0.00010 -0.00011 -0.00001 -1.01756 D97 3.13797 0.00000 0.00007 -0.00008 -0.00001 3.13797 D98 -3.13991 -0.00000 0.00003 -0.00007 -0.00004 -3.13995 D99 1.11879 -0.00000 0.00005 -0.00012 -0.00007 1.11872 D100 -1.00887 -0.00000 0.00003 -0.00009 -0.00006 -1.00893 D101 -1.11668 0.00000 0.00002 -0.00002 0.00000 -1.11668 D102 -3.14117 -0.00000 0.00004 -0.00006 -0.00002 -3.14120 D103 1.01435 0.00000 0.00002 -0.00003 -0.00002 1.01434 D104 1.04311 0.00000 0.00009 -0.00005 0.00004 1.04315 D105 -1.04909 -0.00000 0.00008 -0.00005 0.00003 -1.04906 D106 3.13906 0.00000 0.00008 -0.00005 0.00003 3.13909 D107 -3.10821 -0.00000 0.00009 -0.00006 0.00003 -3.10818 D108 1.08278 -0.00000 0.00008 -0.00006 0.00002 1.08280 D109 -1.01227 -0.00000 0.00009 -0.00006 0.00002 -1.01224 D110 -1.08405 0.00000 0.00004 -0.00001 0.00003 -1.08402 D111 3.10694 0.00000 0.00003 -0.00001 0.00002 3.10696 D112 1.01190 0.00000 0.00003 -0.00001 0.00002 1.01192 Item Value Threshold Converged? Maximum Force 0.000056 0.000450 YES RMS Force 0.000010 0.000300 YES Maximum Displacement 0.005909 0.001800 NO RMS Displacement 0.001382 0.001200 NO Predicted change in Energy=-1.338474D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.018909 -4.615003 2.464955 2 6 0 7.164861 -3.464112 3.448630 3 8 0 6.773111 -5.828177 3.113238 4 8 0 2.850753 -3.697091 -0.930186 5 6 0 3.708629 -3.948684 -0.137462 6 7 0 5.028856 -3.636401 -0.430390 7 6 0 6.140095 -3.815704 0.344767 8 8 0 7.231365 -3.468310 -0.008457 9 7 0 5.892125 -4.409877 1.556675 10 6 0 4.611802 -4.751674 1.935946 11 6 0 3.524398 -4.575533 1.179119 12 1 0 7.894205 -4.685219 1.840277 13 1 0 7.337344 -2.536707 2.916204 14 1 0 8.012181 -3.637001 4.106191 15 1 0 5.191968 -3.205194 -1.315918 16 1 0 4.547279 -5.193866 2.907659 17 6 0 2.176509 -5.010079 1.632657 18 1 0 6.273119 -3.365467 4.058153 19 1 0 7.487362 -6.020683 3.705215 20 6 0 2.001719 -6.248998 2.242467 21 6 0 0.762034 -6.643204 2.713377 22 6 0 -0.352269 -5.823687 2.577200 23 6 0 -0.176007 -4.592345 1.956944 24 6 0 1.062597 -4.189172 1.489794 25 1 0 2.838094 -6.918830 2.338347 26 1 0 0.662325 -7.605743 3.185476 27 6 0 -1.709760 -6.272935 3.078148 28 1 0 -1.018430 -3.933587 1.836841 29 1 0 1.161057 -3.235814 1.007704 30 6 0 -2.396139 -7.328058 2.193861 31 6 0 -2.789676 -6.826140 0.803712 32 1 0 -1.597372 -6.682141 4.078760 33 1 0 -2.361982 -5.409253 3.172429 34 1 0 -1.743149 -8.192348 2.095241 35 1 0 -3.287453 -7.675702 2.712355 36 6 0 -3.499106 -7.890876 -0.035372 37 1 0 -1.905558 -6.483163 0.273559 38 1 0 -3.441365 -5.959255 0.906819 39 1 0 -4.386437 -8.235825 0.491754 40 1 0 -2.849812 -8.757708 -0.139094 41 6 0 -3.897095 -7.388388 -1.422737 42 1 0 -3.026595 -7.067549 -1.987514 43 1 0 -4.575181 -6.542332 -1.353541 44 1 0 -4.395313 -8.165164 -1.994805 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521009 0.000000 3 O 1.397311 2.419661 0.000000 4 O 5.453720 6.151409 6.022931 0.000000 5 C 4.263156 5.004039 4.846709 1.194848 0.000000 6 N 3.647053 4.431591 4.517035 2.235534 1.387921 7 C 2.430306 3.287511 3.480688 3.529779 2.482388 8 O 2.734558 3.457729 3.940044 4.482375 3.557677 9 N 1.461742 2.468567 2.282674 3.992804 2.801866 10 C 2.468337 3.234832 2.686286 3.525358 2.399903 11 C 3.723780 4.431581 3.982973 2.382147 1.469784 12 H 1.077634 2.147055 2.045393 5.838515 4.687534 13 H 2.150428 1.083194 3.345288 6.022516 4.948346 14 H 2.153308 1.086383 2.706012 7.211729 6.051966 15 H 4.429478 5.163358 5.384931 2.423229 2.035149 16 H 2.576824 3.183776 2.323562 4.455063 3.395081 17 C 4.929264 5.529144 4.897975 2.957483 2.570461 18 H 2.157735 1.084644 2.684733 6.058555 4.951760 19 H 1.932260 2.589574 0.947444 6.955872 5.773921 20 C 5.281252 5.989027 4.868420 4.159184 3.724117 21 C 6.582081 7.186335 6.079244 5.130095 4.906133 22 C 7.470460 7.926805 7.145517 5.204182 5.232200 23 C 7.212864 7.575380 7.152241 4.277648 4.459959 24 C 6.050614 6.449836 6.158887 3.048926 3.115652 25 H 4.775234 5.647009 4.156241 4.589452 3.963487 26 H 7.061857 7.713970 6.364485 6.083210 5.804823 27 C 8.905863 9.315881 8.494595 6.595452 6.715745 28 H 8.090591 8.353713 8.119531 4.762661 5.122810 29 H 6.191944 6.485052 6.530603 2.612138 2.882657 30 C 9.801902 10.388323 9.336491 7.104468 7.356863 31 C 10.191035 10.834742 9.888213 6.679206 7.168928 32 H 9.006538 9.355720 8.469149 7.333885 7.307665 33 H 9.440999 9.727312 9.144886 6.850953 7.066893 34 H 9.471417 10.175486 8.896759 7.103835 7.260546 35 H 10.754077 11.292938 10.236651 8.171598 8.423615 36 C 11.296531 12.060460 10.940152 7.662195 8.216006 37 H 9.377545 10.073145 9.154894 5.642136 6.173461 38 H 10.660775 11.188323 10.450885 6.934171 7.500356 39 H 12.127892 12.843085 11.713431 8.660192 9.181807 40 H 11.015204 11.882239 10.571683 7.663688 8.132642 41 C 11.914904 12.708148 11.698830 7.707252 8.445741 42 H 11.258401 12.099677 11.117012 6.857197 7.649396 43 H 12.357929 13.052389 12.216623 7.963612 8.765122 44 H 12.758431 13.615010 12.501493 8.579194 9.322141 6 7 8 9 10 6 N 0.000000 7 C 1.366700 0.000000 8 O 2.248850 1.198466 0.000000 9 N 2.300418 1.372316 2.264895 0.000000 10 C 2.649020 2.396574 3.505685 1.378368 0.000000 11 C 2.394970 2.848746 4.046960 2.403357 1.336511 12 H 3.803442 2.463637 2.310420 2.040726 3.284468 13 H 4.211666 3.111515 3.071279 2.728689 3.646308 14 H 5.429622 4.205348 4.191475 3.404704 4.185097 15 H 0.998352 2.007372 2.436765 3.192691 3.647302 16 H 3.714860 3.317349 4.322683 2.061167 1.069544 17 C 3.778761 4.335343 5.533704 3.764548 2.467673 18 H 4.665684 3.742945 4.179249 2.737396 3.030727 19 H 5.369570 4.239065 4.513479 3.123412 3.606874 20 C 4.809717 5.162202 6.336251 4.357515 3.024644 21 C 6.093431 6.521396 7.703283 5.713453 4.359244 22 C 6.541126 7.153079 8.351343 6.483270 5.118831 23 C 5.805497 6.564711 7.745671 6.084057 4.790506 24 C 4.441157 5.218386 6.388905 4.835032 3.621094 25 H 4.820755 4.950450 6.059241 4.029015 2.829228 26 H 6.920748 7.241546 8.394751 6.341716 5.030448 27 C 8.041772 8.667732 9.865940 7.973364 6.601592 28 H 6.465162 7.313320 8.466447 6.932613 5.690220 29 H 4.145895 5.056339 6.159162 4.905385 3.881637 30 C 8.697447 9.413983 10.603617 8.810058 7.470979 31 C 8.533867 9.434732 10.599807 9.043172 7.769636 32 H 8.574139 9.056906 10.246006 8.222936 6.846328 33 H 8.411171 9.100571 10.291628 8.469930 7.113015 34 H 8.543741 9.185026 10.357798 8.537831 7.228348 35 H 9.764927 10.458667 11.651201 9.811517 8.458782 36 C 9.538487 10.472140 11.606155 10.141361 8.917821 37 H 7.528991 8.476611 9.625603 8.169992 6.945327 38 H 8.884167 9.834383 10.997714 9.483509 8.207976 39 H 10.519163 11.417834 12.567924 11.019109 9.756706 40 H 9.401386 10.270148 11.385294 9.909629 8.719506 41 C 9.733178 10.799690 11.883174 10.657263 9.520207 42 H 8.893126 10.002111 11.049748 9.958316 8.893926 43 H 10.076416 11.186415 12.274094 11.071640 9.921081 44 H 10.572230 11.635558 12.695891 11.512888 10.403406 11 12 13 14 15 11 C 0.000000 12 H 4.420902 0.000000 13 H 4.659703 2.466539 0.000000 14 H 5.439558 2.499410 1.755597 0.000000 15 H 3.299065 4.410683 4.791698 6.126935 0.000000 16 H 2.101540 3.549639 3.852925 3.983196 4.712648 17 C 1.487055 5.730679 5.865090 6.485274 4.587450 18 H 4.160356 3.047726 1.767333 1.760788 5.484087 19 H 4.916778 2.329587 3.575350 2.473491 6.197386 20 C 2.499949 6.109709 6.534824 6.813343 5.666087 21 C 3.776224 7.447407 7.754945 7.971313 6.905031 22 C 4.305934 8.357242 8.369547 8.779718 7.263019 23 C 3.781308 8.071590 7.848330 8.519294 6.438243 24 C 2.511227 6.858554 6.643624 7.446284 5.088413 25 H 2.702936 5.549896 6.307152 6.377056 5.717121 26 H 4.625916 7.914487 8.385912 8.403512 7.755324 27 C 5.820987 9.812711 9.789572 10.125273 8.738004 28 H 4.634865 8.944273 8.540214 9.316107 7.002820 29 H 2.722060 6.937523 6.502126 7.529905 4.652784 30 C 6.607485 10.630184 10.872881 11.207767 9.321799 31 C 6.713695 10.945470 11.199036 11.736997 9.017246 32 H 6.251259 9.954322 9.917929 10.080533 9.342743 33 H 6.270395 10.367653 10.118998 10.565797 9.058991 34 H 6.455050 10.258827 10.729194 10.952697 9.198019 35 H 7.639579 11.607453 11.804115 12.080381 10.397741 36 C 7.861049 11.983398 12.442170 12.952132 9.956414 37 H 5.826106 10.085760 10.391792 11.006873 7.977869 38 H 7.107088 11.445071 11.486168 12.116624 9.330588 39 H 8.743655 12.854551 13.259146 13.709087 10.969082 40 H 7.736849 11.659201 12.321277 12.736836 9.843046 41 C 8.352267 12.529530 12.983753 13.655504 10.006077 42 H 7.691113 11.814878 12.328269 13.067382 9.105691 43 H 8.711248 13.005188 13.273432 14.024668 10.321584 44 H 9.256407 13.336046 13.908731 14.548963 10.815644 16 17 18 19 20 16 H 0.000000 17 C 2.698140 0.000000 18 H 2.764995 5.036863 0.000000 19 H 3.156550 5.789817 2.940939 0.000000 20 C 2.834724 1.391884 5.464094 5.681904 0.000000 21 C 4.057883 2.415739 6.551644 6.826516 1.383465 22 C 4.950904 2.819369 7.220238 7.922818 2.415408 23 C 4.855422 2.411223 6.892862 7.988982 2.751094 24 C 3.893940 1.391078 5.867240 7.038475 2.385656 25 H 2.494179 2.139865 5.232926 4.928559 1.075821 26 H 4.581179 3.382525 7.086784 7.025929 2.126970 27 C 6.351693 4.334436 8.552201 9.221925 3.804473 28 H 5.806210 3.377597 7.643538 8.955182 3.827135 29 H 4.348597 2.137692 5.954429 7.419851 3.363128 30 C 7.298996 5.157237 9.712556 10.083503 4.528564 31 C 7.805244 5.352403 10.232395 10.709108 5.035929 32 H 6.429866 4.798061 8.540807 9.116439 4.063624 33 H 6.917687 4.809173 8.917766 9.882677 4.540032 34 H 7.015726 5.069964 9.560981 9.618237 4.221649 35 H 8.220747 6.174640 10.573260 10.946301 5.498329 36 C 8.982183 6.579811 11.520966 11.755514 6.176034 37 H 7.088010 4.547570 9.535929 10.010849 4.381581 38 H 8.270890 5.743543 10.537070 11.281484 5.612048 39 H 9.741735 7.401307 12.250131 12.498812 6.915274 40 H 8.757890 6.515192 11.398290 11.363415 5.958424 41 C 9.740416 7.202808 12.233450 12.560747 7.037609 42 H 9.210699 6.664166 11.693595 12.001933 6.621685 43 H 10.158517 7.539926 12.532538 13.090763 7.501529 44 H 10.622275 8.142597 13.171592 13.352416 7.908742 21 22 23 24 25 21 C 0.000000 22 C 1.389901 0.000000 23 C 2.378684 1.389960 0.000000 24 C 2.758581 2.419904 1.383805 0.000000 25 H 2.127591 3.381539 3.826592 3.365036 0.000000 26 H 1.076708 2.138954 3.360455 3.835168 2.433814 27 C 2.525851 1.515109 2.536509 3.814564 4.652683 28 H 3.358630 2.136441 1.076133 2.125191 4.902648 29 H 3.831299 3.383868 2.128139 1.072845 4.260008 30 C 3.273069 2.566610 3.531181 4.723470 5.252194 31 C 4.036698 3.176653 3.626438 4.718508 5.833995 32 H 2.726276 2.131175 3.299944 4.471362 4.770578 33 H 3.390110 2.136586 2.631203 4.005946 5.478623 34 H 3.009631 2.788796 3.928750 4.925870 4.761170 35 H 4.179043 3.473259 4.445091 5.707318 6.183451 36 C 5.222032 4.582727 5.088479 6.069422 6.836631 37 H 3.618614 2.855587 3.065995 3.943548 5.191858 38 H 4.626014 3.514408 3.692393 4.874293 6.511656 39 H 5.829134 5.142179 5.757555 6.860281 7.572201 40 H 5.064894 4.714281 5.375207 6.231512 6.470817 41 C 6.274569 5.568983 5.752094 6.581517 7.728454 42 H 6.052450 5.434687 5.459966 6.090830 7.289017 43 H 6.710876 5.813790 5.840761 6.738431 8.290261 44 H 7.147137 6.536968 6.795874 7.598666 8.523599 26 27 28 29 30 26 H 0.000000 27 C 2.722991 0.000000 28 H 4.257756 2.737030 0.000000 29 H 4.907923 4.663951 2.434033 0.000000 30 C 3.227168 1.538299 3.680759 5.550413 0.000000 31 C 4.265782 2.577851 3.545636 5.342317 1.529480 32 H 2.599466 1.086878 3.593874 5.377499 2.146644 33 H 3.737803 1.086384 2.401359 4.671369 2.154199 34 H 2.705369 2.156702 4.327705 5.846741 1.087713 35 H 3.978628 2.142586 4.463006 6.512119 1.088178 36 C 5.269978 3.938718 5.031806 6.668938 2.550055 37 H 4.041468 2.819264 3.119485 4.526409 2.154548 38 H 4.974281 2.794910 3.292247 5.348795 2.150022 39 H 5.757008 4.207965 5.626898 7.486054 2.771731 40 H 4.971408 4.221902 5.525434 6.920516 2.773517 41 C 6.486230 5.127049 5.554027 6.981105 3.916157 42 H 6.376332 5.293996 5.336679 6.417940 4.236654 43 H 7.011775 5.284229 5.443764 7.029436 4.236703 44 H 7.261403 6.043805 6.632579 8.011667 4.716182 31 32 33 34 35 31 C 0.000000 32 H 3.488304 0.000000 33 H 2.793083 1.739629 0.000000 34 H 2.151695 2.497262 3.047770 0.000000 35 H 2.147663 2.389686 2.490974 1.741444 0.000000 36 C 1.530037 4.690811 4.212065 2.777370 2.764254 37 H 1.086443 3.822842 3.124909 2.503241 3.046228 38 H 1.089412 3.739530 2.569155 3.046800 2.495964 39 H 2.152713 4.802023 4.390210 3.091930 2.540192 40 H 2.150222 4.864861 4.734587 2.556675 3.081076 41 C 2.549426 6.004496 5.233459 4.202619 4.189654 42 H 2.811645 6.244269 5.460464 4.425076 4.746227 43 H 2.814660 6.196514 5.163964 4.757842 4.412968 44 H 3.493244 6.849527 6.199177 4.874751 4.860482 36 37 38 39 40 36 C 0.000000 37 H 2.148601 0.000000 38 H 2.149934 1.741896 0.000000 39 H 1.088213 3.045355 2.499642 0.000000 40 H 1.087998 2.497089 3.045522 1.741133 0.000000 41 C 1.528290 2.768225 2.770729 2.150088 2.149320 42 H 2.170713 2.590499 3.126902 3.059544 2.510886 43 H 2.171193 3.126954 2.595139 2.511704 3.059358 44 H 2.172050 3.764769 3.767688 2.487579 2.486633 41 42 43 44 41 C 0.000000 42 H 1.086131 0.000000 43 H 1.086462 1.753822 0.000000 44 H 1.085755 1.754481 1.754183 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.789487 -0.967216 0.538304 2 6 0 -5.346503 -1.532426 -0.759286 3 8 0 -4.243741 -1.964559 1.350674 4 8 0 -0.837215 2.643733 -0.502680 5 6 0 -1.639172 1.791472 -0.261484 6 7 0 -2.966023 2.136792 -0.045738 7 6 0 -4.029253 1.318181 0.213659 8 8 0 -5.144098 1.737460 0.346503 9 7 0 -3.708978 -0.013902 0.292578 10 6 0 -2.417907 -0.451419 0.088584 11 6 0 -1.377815 0.348240 -0.166396 12 1 0 -5.553642 -0.419784 1.065260 13 1 0 -5.746211 -0.734749 -1.373496 14 1 0 -6.151527 -2.231193 -0.549788 15 1 0 -3.181967 3.109627 -0.106294 16 1 0 -2.299092 -1.511785 0.162282 17 6 0 -0.000501 -0.187720 -0.330968 18 1 0 -4.574011 -2.055977 -1.312098 19 1 0 -4.911286 -2.604282 1.557523 20 6 0 0.488294 -1.158645 0.538355 21 6 0 1.749304 -1.700743 0.365264 22 6 0 2.575827 -1.281377 -0.670504 23 6 0 2.088687 -0.303032 -1.529297 24 6 0 0.825748 0.238412 -1.365774 25 1 0 -0.115292 -1.484992 1.366952 26 1 0 2.094847 -2.454371 1.052246 27 6 0 3.963032 -1.866709 -0.839637 28 1 0 2.703180 0.042838 -2.342215 29 1 0 0.484892 0.998580 -2.041761 30 6 0 4.998136 -1.351617 0.175057 31 6 0 5.329383 0.135271 0.038131 32 1 0 3.901475 -2.948166 -0.750387 33 1 0 4.319092 -1.662638 -1.845523 34 1 0 4.641857 -1.551795 1.183081 35 1 0 5.910152 -1.932330 0.052042 36 6 0 6.385827 0.605044 1.040256 37 1 0 4.426496 0.725698 0.166783 38 1 0 5.683307 0.332001 -0.973231 39 1 0 7.292590 0.016928 0.913339 40 1 0 6.034213 0.408971 2.051029 41 6 0 6.720927 2.089588 0.900582 42 1 0 5.840242 2.706018 1.055791 43 1 0 7.108768 2.312380 -0.089541 44 1 0 7.470181 2.393890 1.625071 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6059306 0.1065755 0.0968060 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.6970468666 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.84D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 -0.000067 -0.000002 -0.000023 Ang= -0.01 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -990.116181510 A.U. after 8 cycles NFock= 8 Conv=0.75D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000001918 -0.000002027 -0.000011312 2 6 0.000000282 0.000001397 0.000001999 3 8 -0.000002609 -0.000002214 -0.000001024 4 8 -0.000000745 0.000000802 0.000000442 5 6 -0.000006139 0.000023506 0.000007956 6 7 0.000014459 -0.000053373 -0.000008389 7 6 0.000011029 0.000034448 -0.000014825 8 8 -0.000008887 -0.000004580 0.000002055 9 7 -0.000008382 -0.000004352 0.000031929 10 6 0.000008592 -0.000003912 -0.000010616 11 6 -0.000005841 -0.000001418 0.000008604 12 1 -0.000001610 -0.000000336 0.000001062 13 1 -0.000001380 -0.000000952 -0.000000247 14 1 -0.000001323 -0.000000320 -0.000001779 15 1 -0.000003160 0.000011578 0.000002775 16 1 0.000007745 0.000003031 0.000001565 17 6 0.000017685 -0.000026598 -0.000003320 18 1 0.000000253 0.000000798 0.000000109 19 1 -0.000004426 0.000003311 -0.000002896 20 6 0.000013022 0.000011236 -0.000006599 21 6 -0.000006928 -0.000001768 -0.000000389 22 6 -0.000011671 0.000001472 -0.000007275 23 6 0.000014134 0.000006077 -0.000007381 24 6 -0.000023231 0.000010023 0.000001762 25 1 -0.000003448 -0.000000995 0.000002393 26 1 -0.000003385 -0.000001175 0.000004715 27 6 -0.000001047 0.000003207 0.000021811 28 1 0.000000122 0.000004563 0.000003464 29 1 0.000000912 -0.000001461 -0.000001576 30 6 0.000002820 -0.000015663 -0.000006205 31 6 0.000003034 0.000011587 -0.000006491 32 1 0.000003994 -0.000000184 -0.000004741 33 1 0.000000246 -0.000001950 0.000001143 34 1 0.000001209 0.000003665 0.000003179 35 1 -0.000001082 0.000004884 -0.000005099 36 6 -0.000001451 -0.000010861 0.000004125 37 1 -0.000002845 -0.000005533 0.000002050 38 1 -0.000002050 -0.000003953 0.000002169 39 1 0.000000538 0.000002834 -0.000001443 40 1 0.000000417 0.000003798 -0.000001403 41 6 -0.000000898 0.000001532 -0.000002430 42 1 -0.000000810 -0.000000129 0.000000406 43 1 0.000000673 -0.000000814 -0.000000030 44 1 0.000000265 0.000000823 -0.000000242 ------------------------------------------------------------------- Cartesian Forces: Max 0.000053373 RMS 0.000009225 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000021016 RMS 0.000004605 Search for a local minimum. Step number 27 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 20 21 22 23 24 25 26 27 DE= -2.17D-07 DEPred=-1.34D-07 R= 1.62D+00 Trust test= 1.62D+00 RLast= 6.32D-03 DXMaxT set to 7.81D-01 ITU= 0 0 0 1 1 1 1 1 1 1 1 1 1 0 0 -1 -1 1 -1 1 ITU= 1 1 1 0 1 1 0 Eigenvalues --- 0.00160 0.00232 0.00237 0.00270 0.00289 Eigenvalues --- 0.00302 0.00359 0.00691 0.00925 0.01481 Eigenvalues --- 0.01495 0.01555 0.01595 0.01806 0.01882 Eigenvalues --- 0.02036 0.02058 0.02075 0.02137 0.02244 Eigenvalues --- 0.02431 0.02460 0.02478 0.02605 0.02673 Eigenvalues --- 0.03421 0.03433 0.03642 0.04314 0.04728 Eigenvalues --- 0.04762 0.04808 0.05219 0.05364 0.05430 Eigenvalues --- 0.05454 0.05507 0.05596 0.05617 0.06048 Eigenvalues --- 0.06649 0.08363 0.08371 0.08614 0.08715 Eigenvalues --- 0.09721 0.12235 0.12252 0.12424 0.13099 Eigenvalues --- 0.14340 0.15818 0.15964 0.15982 0.15999 Eigenvalues --- 0.16001 0.16003 0.16025 0.16043 0.16109 Eigenvalues --- 0.16203 0.16216 0.16466 0.18773 0.20463 Eigenvalues --- 0.21031 0.21714 0.21973 0.22055 0.22138 Eigenvalues --- 0.22620 0.23049 0.23315 0.23990 0.24432 Eigenvalues --- 0.24939 0.24991 0.25228 0.26190 0.27267 Eigenvalues --- 0.28113 0.28385 0.28804 0.28926 0.29404 Eigenvalues --- 0.30426 0.31751 0.32332 0.33280 0.33535 Eigenvalues --- 0.33579 0.33678 0.33696 0.33702 0.33734 Eigenvalues --- 0.33740 0.33747 0.33768 0.33785 0.33794 Eigenvalues --- 0.33862 0.33987 0.34283 0.34747 0.35061 Eigenvalues --- 0.37340 0.37740 0.38124 0.38290 0.39129 Eigenvalues --- 0.40734 0.42823 0.44108 0.44683 0.49219 Eigenvalues --- 0.50025 0.50990 0.51663 0.52556 0.54656 Eigenvalues --- 0.55946 0.56835 0.57621 0.60178 0.88381 Eigenvalues --- 0.91358 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 27 26 25 24 23 22 21 20 19 18 RFO step: Lambda=-6.10396957D-08. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. RFO-DIIS uses 4 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.37272 -0.25580 -0.26241 0.14549 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00043192 RMS(Int)= 0.00000007 Iteration 2 RMS(Cart)= 0.00000008 RMS(Int)= 0.00000005 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87429 0.00000 -0.00002 0.00001 -0.00000 2.87429 R2 2.64053 -0.00000 -0.00004 0.00002 -0.00001 2.64052 R3 2.76229 -0.00002 0.00005 -0.00005 -0.00000 2.76229 R4 2.03643 -0.00000 -0.00001 0.00000 -0.00001 2.03643 R5 2.04694 -0.00000 -0.00001 0.00001 -0.00000 2.04694 R6 2.05297 -0.00000 -0.00000 -0.00000 -0.00000 2.05296 R7 2.04968 -0.00000 -0.00001 0.00000 -0.00000 2.04968 R8 1.79041 -0.00001 -0.00001 0.00000 -0.00001 1.79040 R9 2.25794 0.00000 -0.00001 0.00001 -0.00000 2.25793 R10 2.62279 0.00000 0.00006 -0.00002 0.00004 2.62283 R11 2.77749 0.00000 -0.00005 0.00003 -0.00002 2.77747 R12 2.58269 -0.00001 -0.00005 0.00001 -0.00004 2.58265 R13 1.88661 0.00000 -0.00000 0.00000 0.00000 1.88661 R14 2.26477 -0.00001 -0.00000 -0.00001 -0.00001 2.26476 R15 2.59330 0.00001 0.00003 0.00001 0.00005 2.59335 R16 2.60474 -0.00001 -0.00008 0.00003 -0.00006 2.60468 R17 2.52564 0.00000 0.00003 -0.00001 0.00002 2.52566 R18 2.02115 -0.00000 0.00001 -0.00001 0.00000 2.02115 R19 2.81013 -0.00000 -0.00000 0.00000 -0.00000 2.81012 R20 2.63028 -0.00001 0.00000 -0.00002 -0.00002 2.63025 R21 2.62876 0.00002 -0.00001 0.00004 0.00003 2.62879 R22 2.61437 0.00001 -0.00001 0.00002 0.00001 2.61438 R23 2.03301 -0.00000 0.00001 -0.00001 0.00000 2.03301 R24 2.62653 0.00000 0.00001 -0.00001 -0.00000 2.62653 R25 2.03468 0.00000 0.00001 0.00000 0.00001 2.03469 R26 2.62664 0.00001 0.00000 0.00001 0.00001 2.62666 R27 2.86314 0.00000 0.00002 -0.00000 0.00001 2.86315 R28 2.61501 -0.00001 0.00000 -0.00002 -0.00002 2.61500 R29 2.03360 0.00000 -0.00000 0.00000 0.00000 2.03360 R30 2.02738 -0.00000 -0.00001 -0.00000 -0.00001 2.02737 R31 2.90696 0.00001 0.00000 0.00003 0.00003 2.90699 R32 2.05390 -0.00000 -0.00001 0.00000 -0.00001 2.05389 R33 2.05297 -0.00000 0.00000 -0.00001 -0.00000 2.05297 R34 2.89030 0.00000 0.00001 0.00000 0.00002 2.89031 R35 2.05548 -0.00000 0.00001 -0.00001 -0.00000 2.05548 R36 2.05636 -0.00000 -0.00001 0.00000 -0.00001 2.05635 R37 2.89135 0.00000 -0.00002 0.00002 0.00000 2.89135 R38 2.05308 -0.00001 -0.00001 -0.00001 -0.00001 2.05307 R39 2.05869 -0.00000 0.00000 -0.00000 -0.00000 2.05869 R40 2.05642 -0.00000 0.00000 -0.00000 -0.00000 2.05642 R41 2.05602 -0.00000 -0.00000 -0.00000 -0.00001 2.05601 R42 2.88805 0.00000 -0.00000 0.00001 0.00000 2.88805 R43 2.05249 -0.00000 -0.00000 0.00000 -0.00000 2.05249 R44 2.05312 -0.00000 -0.00000 0.00000 -0.00000 2.05311 R45 2.05178 -0.00000 -0.00001 0.00000 -0.00000 2.05178 A1 1.95388 0.00000 0.00003 -0.00001 0.00002 1.95390 A2 1.94942 0.00000 -0.00005 0.00002 -0.00003 1.94938 A3 1.92437 -0.00000 0.00002 -0.00001 0.00001 1.92438 A4 1.84889 -0.00001 -0.00000 -0.00002 -0.00002 1.84887 A5 1.93398 0.00000 0.00000 0.00001 0.00002 1.93399 A6 1.84945 0.00000 -0.00001 0.00001 0.00000 1.84946 A7 1.92328 -0.00000 -0.00001 -0.00000 -0.00002 1.92326 A8 1.92396 -0.00000 0.00000 0.00000 0.00000 1.92397 A9 1.93195 0.00000 -0.00000 0.00001 0.00000 1.93196 A10 1.88554 0.00000 0.00001 -0.00000 0.00001 1.88555 A11 1.90633 -0.00000 0.00000 -0.00001 -0.00001 1.90632 A12 1.89185 0.00000 0.00000 0.00000 0.00000 1.89186 A13 1.91100 -0.00000 0.00003 -0.00003 0.00000 1.91101 A14 2.08927 -0.00000 -0.00005 0.00001 -0.00004 2.08924 A15 2.20695 -0.00000 0.00006 -0.00002 0.00004 2.20698 A16 1.98695 0.00000 -0.00002 0.00002 0.00000 1.98695 A17 2.24490 0.00000 0.00001 -0.00000 0.00001 2.24491 A18 2.02617 -0.00000 -0.00003 -0.00001 -0.00004 2.02613 A19 2.01186 -0.00000 0.00000 0.00001 0.00001 2.01187 A20 2.13550 0.00000 0.00004 -0.00001 0.00003 2.13553 A21 1.99409 -0.00001 -0.00003 -0.00000 -0.00003 1.99406 A22 2.15354 0.00000 -0.00002 0.00001 -0.00000 2.15354 A23 2.06032 0.00000 -0.00000 0.00001 0.00001 2.06033 A24 2.10627 -0.00000 0.00001 -0.00001 -0.00000 2.10627 A25 2.11554 0.00000 0.00001 0.00000 0.00001 2.11556 A26 2.17395 0.00000 0.00002 0.00000 0.00002 2.17397 A27 1.99166 -0.00001 0.00000 -0.00003 -0.00002 1.99164 A28 2.11751 0.00001 -0.00002 0.00003 0.00001 2.11751 A29 2.05045 -0.00001 -0.00001 -0.00001 -0.00002 2.05042 A30 2.10766 -0.00001 0.00006 -0.00004 0.00002 2.10768 A31 2.12499 0.00002 -0.00005 0.00005 0.00001 2.12499 A32 2.10314 0.00001 -0.00005 0.00005 -0.00001 2.10313 A33 2.12005 -0.00001 0.00005 -0.00004 0.00001 2.12006 A34 2.05976 -0.00000 0.00001 -0.00001 -0.00000 2.05975 A35 2.11213 -0.00000 -0.00000 -0.00000 -0.00001 2.11212 A36 2.08934 0.00001 -0.00002 0.00003 0.00001 2.08936 A37 2.08161 -0.00000 0.00002 -0.00002 -0.00000 2.08160 A38 2.11418 0.00001 0.00001 0.00001 0.00002 2.11420 A39 2.07940 0.00000 0.00002 -0.00001 0.00001 2.07941 A40 2.08957 -0.00001 -0.00003 -0.00000 -0.00003 2.08954 A41 2.05374 -0.00000 -0.00001 -0.00000 -0.00001 2.05373 A42 2.10724 -0.00002 -0.00005 -0.00002 -0.00007 2.10717 A43 2.12214 0.00002 0.00006 0.00002 0.00009 2.12223 A44 2.12028 -0.00000 0.00001 -0.00001 -0.00000 2.12028 A45 2.08613 0.00000 0.00000 0.00000 0.00001 2.08614 A46 2.07676 -0.00000 -0.00001 0.00001 -0.00001 2.07676 A47 2.10613 0.00000 -0.00001 0.00002 0.00001 2.10614 A48 2.09100 -0.00000 0.00001 -0.00002 -0.00001 2.09099 A49 2.08604 -0.00000 -0.00000 0.00001 0.00000 2.08604 A50 1.99664 -0.00001 -0.00002 -0.00004 -0.00006 1.99658 A51 1.90010 0.00000 -0.00007 0.00003 -0.00004 1.90006 A52 1.90802 0.00001 0.00002 0.00001 0.00004 1.90806 A53 1.89349 0.00000 -0.00001 0.00001 -0.00001 1.89348 A54 1.90425 0.00000 0.00008 -0.00003 0.00006 1.90430 A55 1.85615 -0.00000 -0.00000 0.00002 0.00002 1.85617 A56 1.99566 0.00001 0.00002 0.00000 0.00002 1.99568 A57 1.90632 -0.00001 -0.00002 -0.00001 -0.00004 1.90629 A58 1.88672 0.00000 0.00001 -0.00000 0.00001 1.88673 A59 1.91008 0.00000 -0.00001 0.00003 0.00001 1.91010 A60 1.90409 -0.00001 -0.00002 -0.00002 -0.00004 1.90405 A61 1.85571 0.00000 0.00003 0.00001 0.00003 1.85574 A62 1.97076 0.00000 0.00002 -0.00002 0.00000 1.97076 A63 1.91530 0.00000 -0.00003 0.00002 -0.00001 1.91529 A64 1.90607 -0.00000 -0.00001 -0.00001 -0.00002 1.90605 A65 1.90646 -0.00000 -0.00001 -0.00000 -0.00001 1.90645 A66 1.90528 -0.00000 -0.00001 0.00000 -0.00001 1.90527 A67 1.85645 0.00000 0.00003 0.00001 0.00004 1.85649 A68 1.91030 0.00000 0.00000 0.00000 0.00001 1.91030 A69 1.90710 0.00000 0.00001 -0.00000 0.00000 1.90710 A70 1.97119 -0.00000 -0.00001 -0.00001 -0.00002 1.97117 A71 1.85484 0.00000 0.00001 0.00001 0.00003 1.85487 A72 1.90881 -0.00000 -0.00001 -0.00000 -0.00001 1.90880 A73 1.90797 0.00000 -0.00001 0.00000 -0.00000 1.90797 A74 1.93955 0.00000 0.00000 -0.00000 0.00000 1.93955 A75 1.93987 -0.00000 0.00001 -0.00001 -0.00000 1.93987 A76 1.94182 0.00000 -0.00000 0.00001 0.00000 1.94182 A77 1.87895 -0.00000 -0.00000 0.00000 -0.00000 1.87895 A78 1.88087 -0.00000 -0.00000 0.00000 0.00000 1.88087 A79 1.87999 -0.00000 0.00000 0.00000 0.00000 1.87999 D1 -3.12473 0.00000 0.00003 0.00007 0.00010 -3.12463 D2 1.07885 0.00000 0.00003 0.00007 0.00009 1.07894 D3 -1.01411 0.00000 0.00002 0.00006 0.00008 -1.01403 D4 -1.05458 -0.00000 0.00001 0.00005 0.00006 -1.05452 D5 -3.13420 -0.00000 0.00001 0.00005 0.00006 -3.13414 D6 1.05603 -0.00000 0.00001 0.00004 0.00005 1.05608 D7 0.99689 -0.00000 -0.00001 0.00007 0.00005 0.99694 D8 -1.08272 0.00000 -0.00002 0.00007 0.00005 -1.08267 D9 3.10750 -0.00000 -0.00002 0.00006 0.00004 3.10754 D10 -1.03364 -0.00000 0.00007 0.00008 0.00015 -1.03349 D11 3.12074 0.00000 0.00012 0.00007 0.00019 3.12093 D12 1.12253 0.00000 0.00013 0.00007 0.00019 1.12272 D13 1.63470 0.00000 0.00039 -0.00003 0.00035 1.63506 D14 -1.45819 -0.00000 -0.00018 0.00008 -0.00011 -1.45829 D15 -2.51682 0.00000 0.00039 -0.00005 0.00034 -2.51648 D16 0.67347 -0.00000 -0.00018 0.00006 -0.00012 0.67336 D17 -0.46132 0.00000 0.00040 -0.00004 0.00036 -0.46097 D18 2.72897 -0.00000 -0.00017 0.00007 -0.00011 2.72887 D19 3.11608 -0.00001 -0.00058 -0.00016 -0.00074 3.11534 D20 -0.00006 0.00001 0.00028 0.00007 0.00035 0.00029 D21 -0.02113 -0.00001 -0.00077 -0.00012 -0.00089 -0.02202 D22 -3.13727 0.00000 0.00009 0.00011 0.00020 -3.13707 D23 -3.11935 0.00000 0.00029 0.00006 0.00034 -3.11901 D24 0.03659 0.00000 0.00026 0.00007 0.00033 0.03692 D25 0.01751 0.00001 0.00049 0.00001 0.00050 0.01801 D26 -3.10973 0.00001 0.00046 0.00002 0.00049 -3.10925 D27 -3.10455 0.00001 0.00037 0.00015 0.00052 -3.10403 D28 0.02537 0.00001 0.00045 0.00017 0.00062 0.02599 D29 0.01176 -0.00001 -0.00049 -0.00008 -0.00057 0.01120 D30 -3.14150 -0.00000 -0.00040 -0.00006 -0.00046 3.14122 D31 -3.11879 -0.00001 -0.00042 -0.00001 -0.00043 -3.11922 D32 -0.02617 -0.00000 0.00015 -0.00012 0.00004 -0.02614 D33 0.01099 -0.00000 -0.00034 0.00001 -0.00032 0.01067 D34 3.10361 0.00000 0.00024 -0.00010 0.00014 3.10375 D35 3.11912 0.00000 0.00022 -0.00008 0.00013 3.11926 D36 -0.03474 0.00000 0.00030 -0.00004 0.00025 -0.03449 D37 0.02779 -0.00000 -0.00037 0.00003 -0.00034 0.02745 D38 -3.12607 -0.00000 -0.00029 0.00007 -0.00022 -3.12630 D39 -0.02241 0.00000 0.00002 0.00003 0.00004 -0.02237 D40 3.10467 0.00000 0.00004 0.00002 0.00006 3.10473 D41 3.13229 -0.00000 -0.00007 -0.00002 -0.00008 3.13221 D42 -0.02381 -0.00000 -0.00004 -0.00003 -0.00007 -0.02388 D43 2.36518 0.00000 0.00029 -0.00007 0.00022 2.36540 D44 -0.80063 0.00000 0.00034 -0.00010 0.00024 -0.80039 D45 -0.76144 0.00000 0.00026 -0.00005 0.00021 -0.76123 D46 2.35594 0.00000 0.00032 -0.00009 0.00023 2.35617 D47 3.09912 0.00000 -0.00001 0.00008 0.00007 3.09920 D48 -0.05783 0.00000 0.00000 0.00003 0.00004 -0.05779 D49 -0.01908 0.00000 -0.00006 0.00012 0.00006 -0.01902 D50 3.10715 0.00000 -0.00005 0.00007 0.00002 3.10717 D51 -3.10470 -0.00000 0.00002 -0.00005 -0.00003 -3.10474 D52 0.04325 0.00000 -0.00000 0.00001 0.00001 0.04326 D53 0.01326 -0.00000 0.00007 -0.00008 -0.00002 0.01324 D54 -3.12197 -0.00000 0.00005 -0.00003 0.00002 -3.12195 D55 0.01524 -0.00000 0.00003 -0.00006 -0.00002 0.01522 D56 -3.13520 0.00000 0.00004 -0.00003 0.00001 -3.13518 D57 -3.11105 -0.00000 0.00003 -0.00001 0.00001 -3.11104 D58 0.02169 0.00000 0.00003 0.00002 0.00005 0.02174 D59 -0.00492 -0.00000 -0.00002 -0.00004 -0.00005 -0.00497 D60 3.12592 -0.00000 0.00002 -0.00002 -0.00001 3.12591 D61 -3.13761 -0.00000 -0.00002 -0.00007 -0.00009 -3.13770 D62 -0.00678 -0.00000 0.00001 -0.00006 -0.00005 -0.00682 D63 -0.00088 0.00000 0.00002 0.00007 0.00009 -0.00079 D64 -3.14033 0.00000 0.00011 0.00001 0.00012 -3.14021 D65 -3.13162 0.00000 -0.00001 0.00006 0.00005 -3.13157 D66 0.01212 0.00000 0.00008 0.00000 0.00008 0.01220 D67 -1.31044 0.00000 0.00021 -0.00007 0.00014 -1.31030 D68 0.81074 -0.00000 0.00012 -0.00007 0.00006 0.81079 D69 2.83164 0.00000 0.00009 -0.00002 0.00008 2.83172 D70 1.81997 0.00000 0.00024 -0.00006 0.00018 1.82015 D71 -2.34205 -0.00000 0.00016 -0.00006 0.00010 -2.34194 D72 -0.32114 0.00000 0.00013 -0.00000 0.00012 -0.32102 D73 -0.00349 -0.00000 -0.00005 -0.00001 -0.00006 -0.00355 D74 3.13175 -0.00000 -0.00003 -0.00007 -0.00010 3.13165 D75 3.13597 -0.00000 -0.00014 0.00005 -0.00009 3.13588 D76 -0.01197 -0.00000 -0.00012 -0.00001 -0.00013 -0.01210 D77 -1.15181 -0.00000 -0.00012 0.00013 0.00002 -1.15179 D78 0.99494 -0.00000 -0.00013 0.00016 0.00002 0.99496 D79 3.00708 0.00000 -0.00011 0.00016 0.00005 3.00713 D80 3.00658 0.00000 -0.00000 0.00012 0.00011 3.00669 D81 -1.12986 0.00000 -0.00002 0.00014 0.00012 -1.12974 D82 0.88228 0.00000 0.00001 0.00014 0.00014 0.88243 D83 0.99135 -0.00000 -0.00003 0.00010 0.00007 0.99141 D84 3.13809 0.00000 -0.00005 0.00012 0.00007 3.13816 D85 -1.13295 0.00000 -0.00003 0.00012 0.00010 -1.13285 D86 -3.11757 -0.00000 -0.00011 0.00001 -0.00010 -3.11767 D87 1.03428 0.00000 -0.00009 0.00001 -0.00008 1.03420 D88 -0.99439 -0.00000 -0.00012 -0.00000 -0.00012 -0.99451 D89 1.02090 0.00000 -0.00008 0.00001 -0.00007 1.02083 D90 -1.11043 0.00000 -0.00007 0.00001 -0.00006 -1.11048 D91 -3.13910 -0.00000 -0.00009 -0.00001 -0.00010 -3.13919 D92 -1.00284 -0.00000 -0.00010 -0.00000 -0.00010 -1.00294 D93 -3.13417 0.00000 -0.00008 0.00000 -0.00008 -3.13425 D94 1.12035 -0.00000 -0.00010 -0.00002 -0.00012 1.12023 D95 1.00695 0.00000 -0.00001 -0.00005 -0.00006 1.00689 D96 -1.01756 -0.00000 -0.00003 -0.00006 -0.00009 -1.01766 D97 3.13797 -0.00000 -0.00002 -0.00006 -0.00008 3.13789 D98 -3.13995 0.00000 -0.00004 -0.00004 -0.00007 -3.14002 D99 1.11872 -0.00000 -0.00006 -0.00005 -0.00011 1.11861 D100 -1.00893 -0.00000 -0.00005 -0.00004 -0.00009 -1.00902 D101 -1.11668 0.00000 -0.00001 -0.00003 -0.00003 -1.11671 D102 -3.14120 0.00000 -0.00003 -0.00004 -0.00007 -3.14126 D103 1.01434 0.00000 -0.00002 -0.00003 -0.00005 1.01429 D104 1.04315 -0.00000 0.00001 -0.00002 -0.00001 1.04314 D105 -1.04906 -0.00000 0.00000 -0.00002 -0.00001 -1.04907 D106 3.13909 -0.00000 0.00000 -0.00002 -0.00001 3.13908 D107 -3.10818 -0.00000 0.00000 -0.00002 -0.00002 -3.10820 D108 1.08280 -0.00000 -0.00000 -0.00002 -0.00002 1.08278 D109 -1.01224 -0.00000 -0.00000 -0.00002 -0.00002 -1.01226 D110 -1.08402 0.00000 0.00001 -0.00001 0.00000 -1.08402 D111 3.10696 0.00000 0.00001 -0.00000 0.00000 3.10696 D112 1.01192 0.00000 0.00001 -0.00000 0.00000 1.01192 Item Value Threshold Converged? Maximum Force 0.000021 0.000450 YES RMS Force 0.000005 0.000300 YES Maximum Displacement 0.002040 0.001800 NO RMS Displacement 0.000432 0.001200 YES Predicted change in Energy=-3.014512D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.018835 -4.615324 2.464733 2 6 0 7.165048 -3.464686 3.448664 3 8 0 6.772880 -5.828613 3.112725 4 8 0 2.850510 -3.696012 -0.929784 5 6 0 3.708425 -3.948138 -0.137272 6 7 0 5.028755 -3.636493 -0.430501 7 6 0 6.139984 -3.815711 0.344650 8 8 0 7.231276 -3.468457 -0.008628 9 7 0 5.891985 -4.409777 1.556632 10 6 0 4.611692 -4.751565 1.935905 11 6 0 3.524226 -4.575202 1.179200 12 1 0 7.894048 -4.685526 1.839943 13 1 0 7.337551 -2.537181 2.916422 14 1 0 8.012440 -3.637818 4.106066 15 1 0 5.191788 -3.204996 -1.315904 16 1 0 4.547215 -5.193856 2.907579 17 6 0 2.176337 -5.009698 1.632779 18 1 0 6.273400 -3.366082 4.058329 19 1 0 7.487069 -6.021323 3.704702 20 6 0 2.001535 -6.248586 2.242618 21 6 0 0.761822 -6.642779 2.713489 22 6 0 -0.352485 -5.823274 2.577269 23 6 0 -0.176184 -4.591907 1.957056 24 6 0 1.062420 -4.188767 1.489907 25 1 0 2.837897 -6.918432 2.338531 26 1 0 0.662082 -7.605297 3.185633 27 6 0 -1.709951 -6.272631 3.078207 28 1 0 -1.018574 -3.933092 1.837015 29 1 0 1.160894 -3.235438 1.007773 30 6 0 -2.396097 -7.327945 2.193939 31 6 0 -2.789573 -6.826236 0.803687 32 1 0 -1.597508 -6.681776 4.078832 33 1 0 -2.362293 -5.409035 3.172430 34 1 0 -1.742951 -8.192134 2.095494 35 1 0 -3.287430 -7.675651 2.712346 36 6 0 -3.498643 -7.891209 -0.035400 37 1 0 -1.905466 -6.483116 0.273623 38 1 0 -3.441498 -5.959513 0.906652 39 1 0 -4.385929 -8.236369 0.491660 40 1 0 -2.849097 -8.757857 -0.139044 41 6 0 -3.896653 -7.388875 -1.422817 42 1 0 -3.026196 -7.067807 -1.987528 43 1 0 -4.574982 -6.543008 -1.353706 44 1 0 -4.394603 -8.165807 -1.994906 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521008 0.000000 3 O 1.397304 2.419669 0.000000 4 O 5.453697 6.151386 6.022860 0.000000 5 C 4.263143 5.004089 4.846602 1.194847 0.000000 6 N 3.647041 4.431838 4.516837 2.235526 1.387940 7 C 2.430331 3.287685 3.480599 3.529752 2.482392 8 O 2.734584 3.457928 3.939963 4.482346 3.557686 9 N 1.461741 2.468536 2.282651 3.992781 2.801849 10 C 2.468311 3.234830 2.686200 3.525355 2.399885 11 C 3.723775 4.431625 3.982877 2.382159 1.469774 12 H 1.077631 2.147061 2.045395 5.838476 4.687490 13 H 2.150415 1.083192 3.345282 6.022435 4.948374 14 H 2.153309 1.086381 2.706070 7.211705 6.052004 15 H 4.429486 5.163555 5.384791 2.423174 2.035142 16 H 2.576765 3.183684 2.323485 4.455076 3.395070 17 C 4.929246 5.529172 4.897864 2.957534 2.570464 18 H 2.157737 1.084643 2.684717 6.058572 4.951864 19 H 1.932253 2.589526 0.947439 6.955804 5.773822 20 C 5.281116 5.988866 4.868182 4.159390 3.724166 21 C 6.581996 7.186241 6.079068 5.130252 4.906158 22 C 7.470486 7.926889 7.145457 5.204213 5.232194 23 C 7.212946 7.575567 7.152237 4.277540 4.459914 24 C 6.050712 6.450046 6.158894 3.048766 3.115598 25 H 4.774984 5.646680 4.155860 4.589774 3.963592 26 H 7.061725 7.713781 6.364258 6.083452 5.804887 27 C 8.905882 9.315976 8.494514 6.595511 6.715756 28 H 8.090699 8.353950 8.119555 4.762477 5.122748 29 H 6.192115 6.485396 6.530678 2.611714 2.882530 30 C 9.801663 10.388195 9.336075 7.104608 7.356821 31 C 10.190784 10.834685 9.887740 6.679353 7.168879 32 H 9.006493 9.355703 8.469040 7.333886 7.307615 33 H 9.441207 9.727642 9.144998 6.850980 7.066963 34 H 9.470945 10.175081 8.896087 7.104034 7.260457 35 H 10.753884 11.292860 10.236292 8.171716 8.423577 36 C 11.295992 12.060146 10.939341 7.662333 8.215839 37 H 9.377247 10.073035 9.154374 5.642291 6.173388 38 H 10.660817 11.188601 10.450713 6.934356 7.500453 39 H 12.127392 12.842815 11.712655 8.660334 9.181669 40 H 11.014369 11.881600 10.570568 7.663750 8.132312 41 C 11.914425 12.707943 11.698055 7.707433 8.445621 42 H 11.257884 12.099426 11.116207 6.857368 7.649241 43 H 12.357712 13.052476 12.216109 7.963857 8.765152 44 H 12.757777 13.614643 12.500521 8.579348 9.321941 6 7 8 9 10 6 N 0.000000 7 C 1.366679 0.000000 8 O 2.248848 1.198461 0.000000 9 N 2.300399 1.372340 2.264912 0.000000 10 C 2.649000 2.396579 3.505680 1.378338 0.000000 11 C 2.394978 2.848770 4.046980 2.403353 1.336522 12 H 3.803327 2.463578 2.310354 2.040725 3.284422 13 H 4.211997 3.111722 3.071560 2.728609 3.646261 14 H 5.429808 4.205470 4.191611 3.404682 4.185106 15 H 0.998353 2.007359 2.436780 3.192685 3.647280 16 H 3.714841 3.317348 4.322667 2.061127 1.069547 17 C 3.778770 4.335364 5.533720 3.764538 2.467686 18 H 4.666033 3.743177 4.179491 2.737383 3.030762 19 H 5.369416 4.239022 4.513466 3.123392 3.606761 20 C 4.809642 5.162163 6.336200 4.357453 3.024577 21 C 6.093369 6.521375 7.703251 5.713422 4.359223 22 C 6.541134 7.153115 8.351375 6.483292 5.118883 23 C 5.805569 6.564779 7.745743 6.084093 4.790585 24 C 4.441259 5.218471 6.388994 4.835080 3.621186 25 H 4.820635 4.950375 6.059147 4.028916 2.829093 26 H 6.920670 7.241517 8.394705 6.341678 5.030411 27 C 8.041792 8.667772 9.865977 7.973384 6.601642 28 H 6.465275 7.313404 8.466541 6.932652 5.690305 29 H 4.146061 5.056460 6.159294 4.905460 3.881762 30 C 8.697294 9.413837 10.603455 8.809890 7.470838 31 C 8.533694 9.434563 10.599621 9.042989 7.769486 32 H 8.574100 9.056889 10.245984 8.222894 6.846315 33 H 8.411338 9.100755 10.291820 8.470090 7.113209 34 H 8.543448 9.184726 10.357471 8.537496 7.228034 35 H 9.764795 10.458549 11.651067 9.811385 8.458680 36 C 9.538094 10.471736 11.605715 10.140949 8.917452 37 H 7.528776 8.476400 9.625378 8.169767 6.945128 38 H 8.884232 9.834456 10.997782 9.483568 8.208067 39 H 10.518817 11.417473 12.567527 11.018734 9.756377 40 H 9.400738 10.269486 11.384581 9.908967 8.718897 41 C 9.732829 10.799330 11.882779 10.656903 9.519893 42 H 8.892720 10.001702 11.049303 9.957919 8.893573 43 H 10.076303 11.186289 12.273950 11.071501 9.920977 44 H 10.571741 11.635050 12.695333 11.512388 10.402964 11 12 13 14 15 11 C 0.000000 12 H 4.420871 0.000000 13 H 4.659713 2.466552 0.000000 14 H 5.439604 2.499404 1.755600 0.000000 15 H 3.299056 4.410618 4.791958 6.127085 0.000000 16 H 2.101556 3.549583 3.852788 3.983139 4.712627 17 C 1.487053 5.730640 5.865084 6.485314 4.587443 18 H 4.160446 3.047732 1.767328 1.760789 5.484361 19 H 4.916661 2.329659 3.575331 2.473500 6.197298 20 C 2.499932 6.109584 6.534647 6.813187 5.666060 21 C 3.776214 7.447320 7.754826 7.971230 6.904995 22 C 4.305945 8.357238 8.369593 8.779829 7.262998 23 C 3.781319 8.071625 7.848471 8.519512 6.438239 24 C 2.511246 6.858603 6.643790 7.446516 5.088425 25 H 2.702928 5.549696 6.306838 6.376715 5.717106 26 H 4.625918 7.914372 8.385713 8.403324 7.755303 27 C 5.821006 9.812696 9.789641 10.125395 8.737998 28 H 4.634873 8.944328 8.540405 9.316382 7.002829 29 H 2.722074 6.937624 6.502430 7.530272 4.652796 30 C 6.607383 10.629900 10.872778 11.207627 9.321679 31 C 6.713585 10.945146 11.199031 11.736916 9.017105 32 H 6.251214 9.954260 9.917870 10.080551 9.342683 33 H 6.270514 10.367812 10.119292 10.566171 9.059088 34 H 6.454838 10.258331 10.728836 10.952252 9.197814 35 H 7.639501 11.607213 11.804056 12.080298 10.397630 36 C 7.860779 11.982768 12.441944 12.951760 9.956098 37 H 5.825956 10.085394 10.391735 11.006734 7.977699 38 H 7.107173 11.445029 11.486489 12.116897 9.330635 39 H 8.743421 12.853957 13.258967 13.708762 10.968805 40 H 7.736383 11.658278 12.320734 12.736119 9.842515 41 C 8.352047 12.528940 12.983654 13.655236 10.005800 42 H 7.690856 11.814251 12.328120 13.067064 9.105364 43 H 8.711202 13.004859 13.273624 14.024707 10.321509 44 H 9.256092 13.335268 13.908487 14.548513 10.815248 16 17 18 19 20 16 H 0.000000 17 C 2.698165 0.000000 18 H 2.764904 5.036933 0.000000 19 H 3.156398 5.789657 2.940808 0.000000 20 C 2.834629 1.391871 5.463924 5.681587 0.000000 21 C 4.057863 2.415727 6.551552 6.826248 1.383472 22 C 4.950993 2.819380 7.220366 7.922685 2.415428 23 C 4.855547 2.411236 6.893122 7.988927 2.751107 24 C 3.894072 1.391096 5.867531 7.038444 2.385658 25 H 2.493942 2.139863 5.232550 4.928086 1.075822 26 H 4.581117 3.382523 7.086568 7.025586 2.126988 27 C 6.351772 4.334455 8.552343 9.221759 3.804460 28 H 5.806345 3.377609 7.643861 8.955162 3.827151 29 H 4.348774 2.137698 5.954887 7.419911 3.363121 30 C 7.298850 5.157162 9.712491 10.082988 4.528416 31 C 7.805094 5.352333 10.232441 10.708555 5.035764 32 H 6.429881 4.798013 8.540810 9.116234 4.063551 33 H 6.917930 4.809278 8.918165 9.882720 4.540087 34 H 7.015365 5.069795 9.560616 9.617444 4.221397 35 H 8.220650 6.174586 10.573246 10.945840 5.498209 36 C 8.981797 6.579615 11.520773 11.754604 6.175721 37 H 7.087808 4.547459 9.535919 10.010259 4.381393 38 H 8.271002 5.743646 10.537466 11.281245 5.612038 39 H 9.741387 7.401141 12.249985 12.497926 6.914971 40 H 8.757252 6.514833 11.397769 11.362189 5.957968 41 C 9.740091 7.202664 12.233389 12.559888 7.037350 42 H 9.210338 6.663991 11.693487 12.001056 6.621430 43 H 10.158408 7.539923 12.532772 13.090177 7.501387 44 H 10.621816 8.142381 13.171382 13.351347 7.908408 21 22 23 24 25 21 C 0.000000 22 C 1.389901 0.000000 23 C 2.378681 1.389968 0.000000 24 C 2.758566 2.419902 1.383796 0.000000 25 H 2.127596 3.381553 3.826608 3.365048 0.000000 26 H 1.076713 2.138939 3.360448 3.835158 2.433832 27 C 2.525805 1.515116 2.536583 3.814608 4.652645 28 H 3.358633 2.136455 1.076135 2.125180 4.902666 29 H 3.831279 3.383863 2.128127 1.072841 4.260011 30 C 3.272894 2.566579 3.531293 4.723498 5.251981 31 C 4.036509 3.176622 3.626608 4.718579 5.833752 32 H 2.726192 2.131150 3.299947 4.471336 4.770479 33 H 3.390110 2.136619 2.631331 4.006070 5.478654 34 H 3.009369 2.788727 3.928811 4.925828 4.760835 35 H 4.178907 3.473248 4.445198 5.707356 6.183263 36 C 5.221736 4.582653 5.088616 6.069426 6.836197 37 H 3.618406 2.855508 3.066111 3.943568 5.191612 38 H 4.625949 3.514473 3.692691 4.874526 6.511574 39 H 5.828842 5.142127 5.757729 6.860327 7.571760 40 H 5.064507 4.714150 5.375243 6.231375 6.470221 41 C 6.274319 5.568925 5.752257 6.581570 7.728080 42 H 6.052213 5.434608 5.460072 6.090829 7.288668 43 H 6.710701 5.813782 5.841007 6.738611 8.290014 44 H 7.146839 6.536892 6.796015 7.598675 8.523125 26 27 28 29 30 26 H 0.000000 27 C 2.722881 0.000000 28 H 4.257753 2.737153 0.000000 29 H 4.907908 4.664011 2.434018 0.000000 30 C 3.226893 1.538315 3.681031 5.550476 0.000000 31 C 4.265504 2.577887 3.546052 5.342441 1.529488 32 H 2.599316 1.086873 3.593908 5.377493 2.146649 33 H 3.737725 1.086383 2.401525 4.671522 2.154253 34 H 2.704988 2.156688 4.327929 5.846733 1.087711 35 H 3.978390 2.142605 4.463257 6.512192 1.088173 36 C 5.269576 3.938751 5.032233 6.669010 2.550064 37 H 4.041212 2.819259 3.119839 4.526472 2.154546 38 H 4.974105 2.794986 3.292798 5.349096 2.150017 39 H 5.756575 4.208010 5.627366 7.486183 2.771718 40 H 4.970940 4.221932 5.525756 6.920429 2.773566 41 C 6.485886 5.127074 5.554483 6.981231 3.916160 42 H 6.376040 5.294004 5.337051 6.417990 4.236668 43 H 7.011483 5.284256 5.444299 7.029714 4.236679 44 H 7.261006 6.043835 6.633028 8.011751 4.716191 31 32 33 34 35 31 C 0.000000 32 H 3.488332 0.000000 33 H 2.793201 1.739635 0.000000 34 H 2.151710 2.497192 3.047789 0.000000 35 H 2.147637 2.389751 2.491005 1.741458 0.000000 36 C 1.530037 4.690837 4.212203 2.777359 2.764270 37 H 1.086437 3.822816 3.124969 2.503271 3.046200 38 H 1.089411 3.739611 2.569331 3.046802 2.495876 39 H 2.152716 4.802068 4.390382 3.091856 2.540188 40 H 2.150220 4.864881 4.734708 2.556709 3.081190 41 C 2.549414 6.004516 5.233577 4.202639 4.189627 42 H 2.811624 6.244269 5.460537 4.425144 4.746213 43 H 2.814649 6.196538 5.164087 4.757835 4.412873 44 H 3.493235 6.849553 6.199310 4.874763 4.860484 36 37 38 39 40 36 C 0.000000 37 H 2.148589 0.000000 38 H 2.149924 1.741918 0.000000 39 H 1.088211 3.045346 2.499648 0.000000 40 H 1.087995 2.497034 3.045513 1.741147 0.000000 41 C 1.528293 2.768237 2.770680 2.150084 2.149317 42 H 2.170714 2.590502 3.126831 3.059540 2.510882 43 H 2.171193 3.126996 2.595086 2.511690 3.059353 44 H 2.172052 3.764767 3.767649 2.487582 2.486631 41 42 43 44 41 C 0.000000 42 H 1.086131 0.000000 43 H 1.086461 1.753820 0.000000 44 H 1.085754 1.754479 1.754181 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.789319 -0.967246 0.538659 2 6 0 -5.346506 -1.532748 -0.758729 3 8 0 -4.243353 -1.964367 1.351142 4 8 0 -0.837410 2.643680 -0.503664 5 6 0 -1.639215 1.791423 -0.261948 6 7 0 -2.965960 2.136788 -0.045500 7 6 0 -4.029193 1.318179 0.213780 8 8 0 -5.144021 1.737438 0.346779 9 7 0 -3.708901 -0.013936 0.292523 10 6 0 -2.417852 -0.451420 0.088524 11 6 0 -1.377790 0.348226 -0.166676 12 1 0 -5.553406 -0.419737 1.065626 13 1 0 -5.746286 -0.735198 -1.373055 14 1 0 -6.151502 -2.231468 -0.548974 15 1 0 -3.181943 3.109597 -0.106346 16 1 0 -2.299029 -1.511782 0.162297 17 6 0 -0.000482 -0.187725 -0.331315 18 1 0 -4.574087 -2.056414 -1.311534 19 1 0 -4.910768 -2.604175 1.558127 20 6 0 0.488325 -1.158690 0.537936 21 6 0 1.749371 -1.700715 0.364826 22 6 0 2.575905 -1.281259 -0.670896 23 6 0 2.088706 -0.302925 -1.529680 24 6 0 0.825765 0.238478 -1.366117 25 1 0 -0.115248 -1.485114 1.366514 26 1 0 2.094944 -2.454398 1.051741 27 6 0 3.963132 -1.866583 -0.839931 28 1 0 2.703146 0.042947 -2.342640 29 1 0 0.484898 0.998698 -2.042034 30 6 0 4.998052 -1.351594 0.175027 31 6 0 5.329284 0.135333 0.038399 32 1 0 3.901524 -2.948039 -0.750765 33 1 0 4.319341 -1.662437 -1.845748 34 1 0 4.641577 -1.551953 1.182944 35 1 0 5.910123 -1.932223 0.052075 36 6 0 6.385439 0.605008 1.040874 37 1 0 4.426346 0.725701 0.166906 38 1 0 5.683496 0.332197 -0.972835 39 1 0 7.292240 0.016907 0.914167 40 1 0 6.033520 0.408869 2.051525 41 6 0 6.720583 2.089564 0.901407 42 1 0 5.839852 2.705982 1.056393 43 1 0 7.108721 2.312425 -0.088582 44 1 0 7.469617 2.393814 1.626143 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6058634 0.1065787 0.0968110 Standard basis: 6-31G(d) (6D, 7F) There are 374 symmetry adapted cartesian basis functions of A symmetry. There are 374 symmetry adapted basis functions of A symmetry. 374 basis functions, 704 primitive gaussians, 374 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1736.7022963886 Hartrees. NAtoms= 44 NActive= 44 NUniq= 44 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= 374 RedAO= T EigKep= 3.84D-04 NBF= 374 NBsUse= 374 1.00D-06 EigRej= -1.00D+00 NBFU= 374 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 0.000000 0.000001 -0.000007 Ang= 0.00 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -990.116181547 A.U. after 7 cycles NFock= 7 Conv=0.49D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000010192 0.000008287 -0.000011260 2 6 0.000003266 -0.000001124 0.000002265 3 8 -0.000000096 -0.000005886 0.000002120 4 8 -0.000004738 0.000001587 0.000002048 5 6 0.000009559 0.000007513 -0.000006841 6 7 -0.000007949 -0.000019397 -0.000004432 7 6 0.000010374 0.000007428 0.000002499 8 8 -0.000005288 0.000001326 0.000002682 9 7 0.000015660 -0.000006287 0.000003377 10 6 -0.000012624 0.000002764 -0.000000859 11 6 -0.000000244 0.000000264 0.000014763 12 1 0.000001060 -0.000000666 0.000001045 13 1 -0.000000010 0.000000293 0.000000119 14 1 -0.000000233 0.000000372 -0.000000193 15 1 -0.000001145 0.000004788 0.000000518 16 1 0.000004093 0.000001904 -0.000002268 17 6 0.000010404 -0.000011049 -0.000008496 18 1 -0.000000350 0.000000401 -0.000000076 19 1 -0.000000163 0.000001304 0.000000646 20 6 0.000004666 0.000000442 -0.000003768 21 6 -0.000004655 -0.000001840 0.000001861 22 6 -0.000002528 0.000001769 0.000001268 23 6 0.000001541 -0.000000671 -0.000001901 24 6 -0.000009068 0.000005132 0.000000176 25 1 -0.000004563 -0.000000358 0.000002394 26 1 -0.000000139 0.000000176 0.000000456 27 6 0.000004720 0.000001862 0.000007606 28 1 -0.000000947 0.000001002 -0.000000791 29 1 0.000001359 0.000001494 0.000001227 30 6 0.000000216 -0.000004530 -0.000005549 31 6 0.000003490 0.000006595 0.000001452 32 1 0.000000024 -0.000000344 -0.000001062 33 1 -0.000001065 -0.000001962 -0.000001988 34 1 -0.000001245 0.000001675 0.000002004 35 1 -0.000001093 0.000000727 -0.000000083 36 6 -0.000002157 -0.000006115 0.000001520 37 1 -0.000001424 -0.000000382 -0.000000387 38 1 0.000000972 -0.000001089 0.000000712 39 1 0.000001164 0.000000893 -0.000000679 40 1 -0.000000049 0.000001239 -0.000000029 41 6 -0.000000356 0.000000486 -0.000001544 42 1 -0.000000206 -0.000000045 0.000000036 43 1 0.000000057 -0.000000225 0.000000096 44 1 -0.000000101 0.000000248 -0.000000683 ------------------------------------------------------------------- Cartesian Forces: Max 0.000019397 RMS 0.000004589 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000013400 RMS 0.000002442 Search for a local minimum. Step number 28 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 20 21 22 23 24 25 26 27 28 DE= -3.77D-08 DEPred=-3.01D-08 R= 1.25D+00 Trust test= 1.25D+00 RLast= 2.28D-03 DXMaxT set to 7.81D-01 ITU= 0 0 0 0 1 1 1 1 1 1 1 1 1 1 0 0 -1 -1 1 -1 ITU= 1 1 1 1 0 1 1 0 Eigenvalues --- 0.00158 0.00233 0.00238 0.00270 0.00289 Eigenvalues --- 0.00301 0.00357 0.00708 0.00748 0.01481 Eigenvalues --- 0.01507 0.01556 0.01608 0.01800 0.01894 Eigenvalues --- 0.01953 0.02039 0.02069 0.02154 0.02253 Eigenvalues --- 0.02432 0.02454 0.02478 0.02558 0.02690 Eigenvalues --- 0.03421 0.03434 0.03649 0.04351 0.04696 Eigenvalues --- 0.04763 0.04803 0.05216 0.05372 0.05430 Eigenvalues --- 0.05454 0.05506 0.05596 0.05734 0.06054 Eigenvalues --- 0.06769 0.08365 0.08372 0.08628 0.08716 Eigenvalues --- 0.09773 0.12246 0.12268 0.12369 0.13103 Eigenvalues --- 0.14351 0.15815 0.15964 0.15982 0.15997 Eigenvalues --- 0.16002 0.16005 0.16027 0.16029 0.16112 Eigenvalues --- 0.16206 0.16212 0.16372 0.18940 0.20482 Eigenvalues --- 0.21098 0.21684 0.21859 0.21989 0.22090 Eigenvalues --- 0.22602 0.23047 0.23314 0.24021 0.24363 Eigenvalues --- 0.24814 0.25004 0.25117 0.25701 0.27472 Eigenvalues --- 0.27975 0.28131 0.28422 0.28919 0.29270 Eigenvalues --- 0.30382 0.31713 0.32570 0.33267 0.33536 Eigenvalues --- 0.33581 0.33678 0.33695 0.33702 0.33727 Eigenvalues --- 0.33736 0.33747 0.33766 0.33782 0.33796 Eigenvalues --- 0.33874 0.34020 0.34246 0.34727 0.35054 Eigenvalues --- 0.37547 0.37747 0.38165 0.38242 0.39150 Eigenvalues --- 0.40972 0.42802 0.43958 0.45570 0.49104 Eigenvalues --- 0.49872 0.51539 0.52152 0.52633 0.54625 Eigenvalues --- 0.55948 0.56848 0.57563 0.60075 0.88344 Eigenvalues --- 0.91447 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 28 27 26 25 24 23 22 21 20 19 RFO step: Lambda=-4.50557689D-09. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. RFO-DIIS uses 3 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.43925 -0.50595 0.06670 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00010444 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87429 0.00000 0.00000 0.00000 0.00000 2.87429 R2 2.64052 0.00001 -0.00000 0.00001 0.00001 2.64053 R3 2.76229 -0.00001 -0.00001 -0.00001 -0.00001 2.76228 R4 2.03643 0.00000 -0.00000 0.00000 0.00000 2.03643 R5 2.04694 0.00000 -0.00000 -0.00000 -0.00000 2.04694 R6 2.05296 -0.00000 -0.00000 0.00000 -0.00000 2.05296 R7 2.04968 0.00000 0.00000 0.00000 0.00000 2.04968 R8 1.79040 0.00000 -0.00000 0.00000 -0.00000 1.79040 R9 2.25793 0.00000 0.00000 0.00000 0.00000 2.25794 R10 2.62283 -0.00001 0.00001 -0.00001 -0.00001 2.62282 R11 2.77747 0.00000 -0.00000 0.00001 0.00001 2.77748 R12 2.58265 0.00001 -0.00001 0.00001 0.00000 2.58265 R13 1.88661 0.00000 0.00000 0.00000 0.00000 1.88662 R14 2.26476 -0.00001 -0.00000 -0.00000 -0.00001 2.26476 R15 2.59335 0.00000 0.00002 -0.00001 0.00001 2.59336 R16 2.60468 0.00001 -0.00001 0.00002 0.00001 2.60469 R17 2.52566 -0.00000 0.00001 -0.00001 -0.00000 2.52566 R18 2.02115 -0.00000 0.00000 -0.00000 -0.00000 2.02115 R19 2.81012 0.00000 -0.00000 -0.00000 -0.00000 2.81012 R20 2.63025 0.00000 -0.00001 0.00001 -0.00001 2.63025 R21 2.62879 0.00001 0.00002 0.00001 0.00003 2.62882 R22 2.61438 0.00001 0.00001 0.00001 0.00002 2.61440 R23 2.03301 -0.00000 -0.00000 -0.00000 -0.00000 2.03301 R24 2.62653 -0.00000 -0.00000 -0.00001 -0.00001 2.62652 R25 2.03469 0.00000 0.00000 -0.00000 0.00000 2.03469 R26 2.62666 0.00000 0.00001 0.00000 0.00001 2.62667 R27 2.86315 -0.00000 0.00000 -0.00000 -0.00000 2.86315 R28 2.61500 -0.00000 -0.00001 -0.00000 -0.00001 2.61499 R29 2.03360 0.00000 0.00000 0.00000 0.00000 2.03360 R30 2.02737 0.00000 -0.00000 0.00000 -0.00000 2.02737 R31 2.90699 0.00000 0.00001 0.00000 0.00002 2.90701 R32 2.05389 -0.00000 -0.00000 -0.00000 -0.00001 2.05389 R33 2.05297 -0.00000 -0.00000 0.00000 -0.00000 2.05296 R34 2.89031 -0.00000 0.00001 -0.00000 0.00000 2.89031 R35 2.05548 -0.00000 -0.00000 -0.00000 -0.00001 2.05547 R36 2.05635 0.00000 -0.00000 0.00000 -0.00000 2.05635 R37 2.89135 0.00000 0.00000 0.00001 0.00001 2.89136 R38 2.05307 -0.00000 -0.00001 -0.00000 -0.00001 2.05306 R39 2.05869 -0.00000 -0.00000 -0.00000 -0.00000 2.05869 R40 2.05642 -0.00000 -0.00000 -0.00000 -0.00000 2.05642 R41 2.05601 -0.00000 -0.00000 -0.00000 -0.00000 2.05601 R42 2.88805 0.00000 0.00000 0.00000 0.00001 2.88806 R43 2.05249 -0.00000 -0.00000 -0.00000 -0.00000 2.05249 R44 2.05311 -0.00000 -0.00000 0.00000 -0.00000 2.05311 R45 2.05178 0.00000 -0.00000 0.00000 0.00000 2.05178 A1 1.95390 -0.00000 0.00000 -0.00001 -0.00001 1.95389 A2 1.94938 0.00000 -0.00001 0.00002 0.00001 1.94940 A3 1.92438 -0.00000 0.00001 -0.00002 -0.00001 1.92437 A4 1.84887 -0.00000 -0.00001 0.00002 0.00001 1.84888 A5 1.93399 0.00000 0.00001 -0.00003 -0.00002 1.93397 A6 1.84946 0.00000 0.00000 0.00001 0.00002 1.84947 A7 1.92326 0.00000 -0.00000 0.00000 -0.00000 1.92326 A8 1.92397 0.00000 0.00000 0.00000 0.00000 1.92397 A9 1.93196 0.00000 -0.00000 -0.00000 -0.00001 1.93195 A10 1.88555 -0.00000 0.00000 -0.00000 0.00000 1.88555 A11 1.90632 -0.00000 -0.00000 0.00000 -0.00000 1.90632 A12 1.89186 -0.00000 0.00000 0.00000 0.00000 1.89186 A13 1.91101 -0.00000 -0.00001 0.00000 -0.00001 1.91100 A14 2.08924 0.00000 -0.00001 0.00001 0.00000 2.08924 A15 2.20698 -0.00001 0.00001 -0.00001 -0.00001 2.20698 A16 1.98695 0.00000 0.00000 0.00000 0.00000 1.98696 A17 2.24491 0.00000 0.00000 -0.00000 0.00000 2.24491 A18 2.02613 -0.00000 -0.00001 0.00000 -0.00001 2.02612 A19 2.01187 -0.00000 0.00000 -0.00000 0.00000 2.01187 A20 2.13553 0.00000 0.00001 0.00000 0.00001 2.13554 A21 1.99406 -0.00000 -0.00001 0.00000 -0.00001 1.99405 A22 2.15354 0.00000 0.00000 -0.00001 -0.00001 2.15353 A23 2.06033 -0.00000 -0.00000 -0.00001 -0.00001 2.06032 A24 2.10627 0.00000 0.00000 0.00001 0.00001 2.10628 A25 2.11556 -0.00000 0.00001 -0.00001 -0.00000 2.11556 A26 2.17397 0.00000 0.00000 -0.00000 0.00000 2.17398 A27 1.99164 -0.00000 -0.00001 -0.00000 -0.00002 1.99162 A28 2.11751 0.00000 0.00001 0.00001 0.00001 2.11753 A29 2.05042 -0.00000 -0.00001 0.00000 -0.00001 2.05042 A30 2.10768 -0.00001 -0.00000 -0.00002 -0.00002 2.10766 A31 2.12499 0.00001 0.00001 0.00002 0.00003 2.12502 A32 2.10313 0.00001 0.00001 0.00002 0.00002 2.10316 A33 2.12006 -0.00001 -0.00001 -0.00001 -0.00002 2.12004 A34 2.05975 -0.00000 -0.00000 -0.00000 -0.00001 2.05975 A35 2.11212 -0.00000 -0.00000 0.00000 -0.00000 2.11212 A36 2.08936 0.00000 0.00001 0.00001 0.00002 2.08937 A37 2.08160 -0.00000 -0.00001 -0.00001 -0.00001 2.08159 A38 2.11420 0.00000 0.00001 -0.00000 0.00001 2.11421 A39 2.07941 -0.00000 0.00000 -0.00000 0.00000 2.07941 A40 2.08954 -0.00000 -0.00001 0.00000 -0.00001 2.08953 A41 2.05373 0.00000 -0.00000 0.00000 -0.00000 2.05373 A42 2.10717 -0.00000 -0.00003 0.00000 -0.00002 2.10715 A43 2.12223 0.00000 0.00003 -0.00001 0.00003 2.12226 A44 2.12028 -0.00000 -0.00000 0.00000 -0.00000 2.12028 A45 2.08614 0.00000 0.00000 -0.00000 0.00000 2.08615 A46 2.07676 -0.00000 -0.00000 -0.00000 -0.00000 2.07676 A47 2.10614 0.00000 0.00001 0.00000 0.00001 2.10615 A48 2.09099 -0.00000 -0.00001 -0.00000 -0.00001 2.09098 A49 2.08604 -0.00000 0.00000 0.00000 0.00000 2.08604 A50 1.99658 -0.00000 -0.00003 0.00001 -0.00002 1.99656 A51 1.90006 0.00000 -0.00001 0.00001 -0.00000 1.90006 A52 1.90806 0.00000 0.00002 0.00000 0.00002 1.90808 A53 1.89348 0.00000 -0.00000 -0.00000 -0.00000 1.89348 A54 1.90430 -0.00000 0.00001 -0.00001 -0.00000 1.90430 A55 1.85617 0.00000 0.00001 0.00000 0.00001 1.85619 A56 1.99568 -0.00000 0.00001 0.00000 0.00001 1.99569 A57 1.90629 -0.00000 -0.00001 0.00000 -0.00001 1.90628 A58 1.88673 0.00000 0.00000 -0.00001 -0.00000 1.88673 A59 1.91010 0.00000 0.00001 0.00000 0.00001 1.91011 A60 1.90405 -0.00000 -0.00002 -0.00000 -0.00002 1.90404 A61 1.85574 -0.00000 0.00001 -0.00000 0.00001 1.85575 A62 1.97076 -0.00000 -0.00000 -0.00001 -0.00001 1.97075 A63 1.91529 0.00000 0.00000 0.00001 0.00001 1.91531 A64 1.90605 -0.00000 -0.00001 -0.00000 -0.00001 1.90605 A65 1.90645 -0.00000 -0.00000 -0.00000 -0.00001 1.90644 A66 1.90527 0.00000 -0.00000 0.00000 0.00000 1.90527 A67 1.85649 -0.00000 0.00002 -0.00000 0.00001 1.85650 A68 1.91030 0.00000 0.00000 -0.00000 0.00000 1.91030 A69 1.90710 -0.00000 -0.00000 -0.00000 -0.00000 1.90710 A70 1.97117 -0.00000 -0.00001 0.00000 -0.00001 1.97117 A71 1.85487 0.00000 0.00001 -0.00000 0.00001 1.85488 A72 1.90880 0.00000 -0.00000 0.00000 -0.00000 1.90880 A73 1.90797 0.00000 -0.00000 0.00000 -0.00000 1.90797 A74 1.93955 -0.00000 -0.00000 -0.00000 -0.00000 1.93955 A75 1.93987 -0.00000 -0.00000 -0.00000 -0.00000 1.93987 A76 1.94182 0.00000 0.00000 0.00000 0.00000 1.94183 A77 1.87895 0.00000 -0.00000 0.00000 0.00000 1.87895 A78 1.88087 -0.00000 -0.00000 -0.00000 -0.00000 1.88087 A79 1.87999 -0.00000 0.00000 -0.00000 -0.00000 1.87999 D1 -3.12463 -0.00000 0.00005 -0.00009 -0.00004 -3.12467 D2 1.07894 -0.00000 0.00005 -0.00009 -0.00004 1.07890 D3 -1.01403 -0.00000 0.00005 -0.00009 -0.00005 -1.01408 D4 -1.05452 -0.00000 0.00003 -0.00006 -0.00003 -1.05455 D5 -3.13414 -0.00000 0.00003 -0.00006 -0.00003 -3.13416 D6 1.05608 -0.00000 0.00003 -0.00006 -0.00003 1.05605 D7 0.99694 0.00000 0.00003 -0.00004 -0.00000 0.99694 D8 -1.08267 0.00000 0.00003 -0.00004 -0.00001 -1.08268 D9 3.10754 0.00000 0.00003 -0.00004 -0.00001 3.10753 D10 -1.03349 0.00000 -0.00000 0.00006 0.00005 -1.03344 D11 3.12093 -0.00000 0.00002 0.00002 0.00004 3.12097 D12 1.12272 -0.00000 0.00001 0.00001 0.00002 1.12274 D13 1.63506 -0.00000 0.00001 -0.00010 -0.00009 1.63497 D14 -1.45829 0.00000 -0.00009 0.00001 -0.00008 -1.45838 D15 -2.51648 -0.00000 -0.00000 -0.00008 -0.00008 -2.51656 D16 0.67336 0.00000 -0.00010 0.00002 -0.00008 0.67328 D17 -0.46097 -0.00000 0.00000 -0.00010 -0.00009 -0.46106 D18 2.72887 0.00000 -0.00010 0.00001 -0.00009 2.72878 D19 3.11534 -0.00000 -0.00024 -0.00010 -0.00034 3.11500 D20 0.00029 0.00000 0.00012 0.00006 0.00018 0.00047 D21 -0.02202 -0.00000 -0.00028 -0.00008 -0.00036 -0.02238 D22 -3.13707 0.00000 0.00008 0.00007 0.00015 -3.13691 D23 -3.11901 0.00000 0.00010 0.00004 0.00015 -3.11887 D24 0.03692 0.00000 0.00010 0.00006 0.00016 0.03708 D25 0.01801 0.00000 0.00015 0.00002 0.00017 0.01818 D26 -3.10925 0.00000 0.00014 0.00004 0.00018 -3.10906 D27 -3.10403 0.00000 0.00018 0.00012 0.00030 -3.10373 D28 0.02599 0.00000 0.00022 0.00012 0.00033 0.02632 D29 0.01120 -0.00000 -0.00018 -0.00003 -0.00021 0.01099 D30 3.14122 -0.00000 -0.00014 -0.00003 -0.00018 3.14104 D31 -3.11922 -0.00000 -0.00012 0.00001 -0.00011 -3.11933 D32 -0.02614 -0.00000 -0.00002 -0.00010 -0.00012 -0.02626 D33 0.01067 -0.00000 -0.00008 -0.00000 -0.00008 0.01059 D34 3.10375 -0.00000 0.00002 -0.00011 -0.00009 3.10366 D35 3.11926 -0.00000 0.00002 -0.00005 -0.00003 3.11923 D36 -0.03449 -0.00000 0.00006 -0.00009 -0.00003 -0.03451 D37 0.02745 0.00000 -0.00009 0.00006 -0.00003 0.02742 D38 -3.12630 0.00000 -0.00004 0.00002 -0.00002 -3.12632 D39 -0.02237 0.00000 0.00002 -0.00002 -0.00000 -0.02237 D40 3.10473 0.00000 0.00002 -0.00004 -0.00002 3.10471 D41 3.13221 -0.00000 -0.00003 0.00002 -0.00001 3.13220 D42 -0.02388 -0.00000 -0.00003 0.00000 -0.00002 -0.02390 D43 2.36540 0.00000 0.00006 -0.00008 -0.00003 2.36538 D44 -0.80039 -0.00000 0.00007 -0.00016 -0.00009 -0.80048 D45 -0.76123 -0.00000 0.00006 -0.00007 -0.00001 -0.76124 D46 2.35617 -0.00000 0.00007 -0.00014 -0.00008 2.35609 D47 3.09920 -0.00000 0.00004 -0.00012 -0.00008 3.09912 D48 -0.05779 -0.00000 0.00002 -0.00004 -0.00001 -0.05781 D49 -0.01902 0.00000 0.00003 -0.00004 -0.00001 -0.01903 D50 3.10717 0.00000 0.00001 0.00003 0.00005 3.10722 D51 -3.10474 0.00000 -0.00002 0.00005 0.00003 -3.10471 D52 0.04326 -0.00000 -0.00000 0.00001 0.00000 0.04326 D53 0.01324 -0.00000 -0.00001 -0.00002 -0.00003 0.01321 D54 -3.12195 -0.00000 0.00001 -0.00007 -0.00006 -3.12201 D55 0.01522 0.00000 -0.00002 0.00006 0.00004 0.01526 D56 -3.13518 0.00000 0.00000 0.00003 0.00003 -3.13515 D57 -3.11104 -0.00000 -0.00000 -0.00002 -0.00002 -3.11106 D58 0.02174 -0.00000 0.00002 -0.00005 -0.00003 0.02171 D59 -0.00497 -0.00000 -0.00002 -0.00001 -0.00003 -0.00500 D60 3.12591 -0.00000 -0.00000 -0.00006 -0.00006 3.12584 D61 -3.13770 -0.00000 -0.00004 0.00002 -0.00002 -3.13772 D62 -0.00682 -0.00000 -0.00003 -0.00002 -0.00005 -0.00687 D63 -0.00079 -0.00000 0.00004 -0.00005 -0.00001 -0.00081 D64 -3.14021 -0.00000 0.00004 -0.00001 0.00003 -3.14018 D65 -3.13157 0.00000 0.00003 -0.00001 0.00002 -3.13155 D66 0.01220 0.00000 0.00003 0.00003 0.00006 0.01227 D67 -1.31030 -0.00000 0.00004 -0.00004 0.00000 -1.31029 D68 0.81079 -0.00000 0.00001 -0.00003 -0.00002 0.81078 D69 2.83172 0.00000 0.00003 -0.00002 0.00001 2.83173 D70 1.82015 -0.00000 0.00005 -0.00008 -0.00003 1.82012 D71 -2.34194 -0.00000 0.00003 -0.00008 -0.00005 -2.34200 D72 -0.32102 0.00000 0.00004 -0.00007 -0.00003 -0.32105 D73 -0.00355 0.00000 -0.00002 0.00007 0.00004 -0.00351 D74 3.13165 0.00000 -0.00004 0.00012 0.00007 3.13173 D75 3.13588 0.00000 -0.00003 0.00003 0.00000 3.13588 D76 -0.01210 0.00000 -0.00005 0.00008 0.00003 -0.01207 D77 -1.15179 0.00000 0.00003 0.00002 0.00005 -1.15174 D78 0.99496 0.00000 0.00004 0.00003 0.00007 0.99502 D79 3.00713 0.00000 0.00005 0.00002 0.00007 3.00720 D80 3.00669 -0.00000 0.00006 0.00001 0.00007 3.00676 D81 -1.12974 0.00000 0.00007 0.00002 0.00009 -1.12966 D82 0.88243 0.00000 0.00008 0.00001 0.00009 0.88251 D83 0.99141 -0.00000 0.00004 0.00001 0.00006 0.99147 D84 3.13816 0.00000 0.00005 0.00002 0.00007 3.13823 D85 -1.13285 0.00000 0.00006 0.00002 0.00007 -1.13278 D86 -3.11767 -0.00000 -0.00003 0.00001 -0.00001 -3.11768 D87 1.03420 0.00000 -0.00002 0.00001 -0.00001 1.03420 D88 -0.99451 -0.00000 -0.00004 0.00001 -0.00002 -0.99453 D89 1.02083 0.00000 -0.00002 0.00001 -0.00002 1.02081 D90 -1.11048 0.00000 -0.00002 0.00001 -0.00001 -1.11049 D91 -3.13919 0.00000 -0.00003 0.00000 -0.00003 -3.13922 D92 -1.00294 -0.00000 -0.00003 0.00001 -0.00002 -1.00296 D93 -3.13425 -0.00000 -0.00003 0.00001 -0.00002 -3.13426 D94 1.12023 -0.00000 -0.00004 0.00001 -0.00003 1.12019 D95 1.00689 -0.00000 -0.00003 -0.00000 -0.00003 1.00686 D96 -1.01766 -0.00000 -0.00004 0.00000 -0.00004 -1.01770 D97 3.13789 -0.00000 -0.00003 0.00000 -0.00003 3.13786 D98 -3.14002 0.00000 -0.00003 0.00000 -0.00003 -3.14005 D99 1.11861 -0.00000 -0.00004 0.00001 -0.00004 1.11858 D100 -1.00902 0.00000 -0.00004 0.00001 -0.00003 -1.00905 D101 -1.11671 0.00000 -0.00001 0.00000 -0.00001 -1.11673 D102 -3.14126 0.00000 -0.00003 0.00000 -0.00002 -3.14129 D103 1.01429 0.00000 -0.00002 0.00000 -0.00002 1.01427 D104 1.04314 -0.00000 -0.00001 -0.00001 -0.00002 1.04312 D105 -1.04907 -0.00000 -0.00001 -0.00001 -0.00002 -1.04909 D106 3.13908 -0.00000 -0.00001 -0.00001 -0.00002 3.13906 D107 -3.10820 -0.00000 -0.00001 -0.00001 -0.00002 -3.10823 D108 1.08278 -0.00000 -0.00001 -0.00001 -0.00002 1.08276 D109 -1.01226 -0.00000 -0.00001 -0.00001 -0.00002 -1.01228 D110 -1.08402 0.00000 -0.00000 -0.00001 -0.00001 -1.08402 D111 3.10696 0.00000 -0.00000 -0.00001 -0.00001 3.10696 D112 1.01192 0.00000 -0.00000 -0.00001 -0.00001 1.01192 Item Value Threshold Converged? Maximum Force 0.000013 0.000450 YES RMS Force 0.000002 0.000300 YES Maximum Displacement 0.000463 0.001800 YES RMS Displacement 0.000104 0.001200 YES Predicted change in Energy=-5.361450D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.521 -DE/DX = 0.0 ! ! R2 R(1,3) 1.3973 -DE/DX = 0.0 ! ! R3 R(1,9) 1.4617 -DE/DX = 0.0 ! ! R4 R(1,12) 1.0776 -DE/DX = 0.0 ! ! R5 R(2,13) 1.0832 -DE/DX = 0.0 ! ! R6 R(2,14) 1.0864 -DE/DX = 0.0 ! ! R7 R(2,18) 1.0846 -DE/DX = 0.0 ! ! R8 R(3,19) 0.9474 -DE/DX = 0.0 ! ! R9 R(4,5) 1.1948 -DE/DX = 0.0 ! ! R10 R(5,6) 1.3879 -DE/DX = 0.0 ! ! R11 R(5,11) 1.4698 -DE/DX = 0.0 ! ! R12 R(6,7) 1.3667 -DE/DX = 0.0 ! ! R13 R(6,15) 0.9984 -DE/DX = 0.0 ! ! R14 R(7,8) 1.1985 -DE/DX = 0.0 ! ! R15 R(7,9) 1.3723 -DE/DX = 0.0 ! ! R16 R(9,10) 1.3783 -DE/DX = 0.0 ! ! R17 R(10,11) 1.3365 -DE/DX = 0.0 ! ! R18 R(10,16) 1.0695 -DE/DX = 0.0 ! ! R19 R(11,17) 1.4871 -DE/DX = 0.0 ! ! R20 R(17,20) 1.3919 -DE/DX = 0.0 ! ! R21 R(17,24) 1.3911 -DE/DX = 0.0 ! ! R22 R(20,21) 1.3835 -DE/DX = 0.0 ! ! R23 R(20,25) 1.0758 -DE/DX = 0.0 ! ! R24 R(21,22) 1.3899 -DE/DX = 0.0 ! ! R25 R(21,26) 1.0767 -DE/DX = 0.0 ! ! R26 R(22,23) 1.39 -DE/DX = 0.0 ! ! R27 R(22,27) 1.5151 -DE/DX = 0.0 ! ! R28 R(23,24) 1.3838 -DE/DX = 0.0 ! ! R29 R(23,28) 1.0761 -DE/DX = 0.0 ! ! R30 R(24,29) 1.0728 -DE/DX = 0.0 ! ! R31 R(27,30) 1.5383 -DE/DX = 0.0 ! ! R32 R(27,32) 1.0869 -DE/DX = 0.0 ! ! R33 R(27,33) 1.0864 -DE/DX = 0.0 ! ! R34 R(30,31) 1.5295 -DE/DX = 0.0 ! ! R35 R(30,34) 1.0877 -DE/DX = 0.0 ! ! R36 R(30,35) 1.0882 -DE/DX = 0.0 ! ! R37 R(31,36) 1.53 -DE/DX = 0.0 ! ! R38 R(31,37) 1.0864 -DE/DX = 0.0 ! ! R39 R(31,38) 1.0894 -DE/DX = 0.0 ! ! R40 R(36,39) 1.0882 -DE/DX = 0.0 ! ! R41 R(36,40) 1.088 -DE/DX = 0.0 ! ! R42 R(36,41) 1.5283 -DE/DX = 0.0 ! ! R43 R(41,42) 1.0861 -DE/DX = 0.0 ! ! R44 R(41,43) 1.0865 -DE/DX = 0.0 ! ! R45 R(41,44) 1.0858 -DE/DX = 0.0 ! ! A1 A(2,1,3) 111.9501 -DE/DX = 0.0 ! ! A2 A(2,1,9) 111.6915 -DE/DX = 0.0 ! ! A3 A(2,1,12) 110.2591 -DE/DX = 0.0 ! ! A4 A(3,1,9) 105.9325 -DE/DX = 0.0 ! ! A5 A(3,1,12) 110.8096 -DE/DX = 0.0 ! ! A6 A(9,1,12) 105.966 -DE/DX = 0.0 ! ! A7 A(1,2,13) 110.1949 -DE/DX = 0.0 ! ! A8 A(1,2,14) 110.2353 -DE/DX = 0.0 ! ! A9 A(1,2,18) 110.693 -DE/DX = 0.0 ! ! A10 A(13,2,14) 108.0339 -DE/DX = 0.0 ! ! A11 A(13,2,18) 109.2242 -DE/DX = 0.0 ! ! A12 A(14,2,18) 108.3954 -DE/DX = 0.0 ! ! A13 A(1,3,19) 109.4925 -DE/DX = 0.0 ! ! A14 A(4,5,6) 119.7045 -DE/DX = 0.0 ! ! A15 A(4,5,11) 126.4509 -DE/DX = 0.0 ! ! A16 A(6,5,11) 113.8441 -DE/DX = 0.0 ! ! A17 A(5,6,7) 128.6241 -DE/DX = 0.0 ! ! A18 A(5,6,15) 116.0887 -DE/DX = 0.0 ! ! A19 A(7,6,15) 115.2715 -DE/DX = 0.0 ! ! A20 A(6,7,8) 122.357 -DE/DX = 0.0 ! ! A21 A(6,7,9) 114.251 -DE/DX = 0.0 ! ! A22 A(8,7,9) 123.3885 -DE/DX = 0.0 ! ! A23 A(1,9,7) 118.0482 -DE/DX = 0.0 ! ! A24 A(1,9,10) 120.6801 -DE/DX = 0.0 ! ! A25 A(7,9,10) 121.2125 -DE/DX = 0.0 ! ! A26 A(9,10,11) 124.5596 -DE/DX = 0.0 ! ! A27 A(9,10,16) 114.1123 -DE/DX = 0.0 ! ! A28 A(11,10,16) 121.3244 -DE/DX = 0.0 ! ! A29 A(5,11,10) 117.4806 -DE/DX = 0.0 ! ! A30 A(5,11,17) 120.7611 -DE/DX = 0.0 ! ! A31 A(10,11,17) 121.7531 -DE/DX = 0.0 ! ! A32 A(11,17,20) 120.5006 -DE/DX = 0.0 ! ! A33 A(11,17,24) 121.4702 -DE/DX = 0.0 ! ! A34 A(20,17,24) 118.0152 -DE/DX = 0.0 ! ! A35 A(17,20,21) 121.0158 -DE/DX = 0.0 ! ! A36 A(17,20,25) 119.7112 -DE/DX = 0.0 ! ! A37 A(21,20,25) 119.2672 -DE/DX = 0.0 ! ! A38 A(20,21,22) 121.1348 -DE/DX = 0.0 ! ! A39 A(20,21,26) 119.1414 -DE/DX = 0.0 ! ! A40 A(22,21,26) 119.7219 -DE/DX = 0.0 ! ! A41 A(21,22,23) 117.6701 -DE/DX = 0.0 ! ! A42 A(21,22,27) 120.7321 -DE/DX = 0.0 ! ! A43 A(23,22,27) 121.5949 -DE/DX = 0.0 ! ! A44 A(22,23,24) 121.4833 -DE/DX = 0.0 ! ! A45 A(22,23,28) 119.5271 -DE/DX = 0.0 ! ! A46 A(24,23,28) 118.9895 -DE/DX = 0.0 ! ! A47 A(17,24,23) 120.6729 -DE/DX = 0.0 ! ! A48 A(17,24,29) 119.805 -DE/DX = 0.0 ! ! A49 A(23,24,29) 119.5211 -DE/DX = 0.0 ! ! A50 A(22,27,30) 114.3956 -DE/DX = 0.0 ! ! A51 A(22,27,32) 108.8654 -DE/DX = 0.0 ! ! A52 A(22,27,33) 109.3237 -DE/DX = 0.0 ! ! A53 A(30,27,32) 108.4884 -DE/DX = 0.0 ! ! A54 A(30,27,33) 109.1086 -DE/DX = 0.0 ! ! A55 A(32,27,33) 106.3508 -DE/DX = 0.0 ! ! A56 A(27,30,31) 114.3442 -DE/DX = 0.0 ! ! A57 A(27,30,34) 109.2223 -DE/DX = 0.0 ! ! A58 A(27,30,35) 108.1019 -DE/DX = 0.0 ! ! A59 A(31,30,34) 109.4405 -DE/DX = 0.0 ! ! A60 A(31,30,35) 109.0942 -DE/DX = 0.0 ! ! A61 A(34,30,35) 106.3262 -DE/DX = 0.0 ! ! A62 A(30,31,36) 112.9165 -DE/DX = 0.0 ! ! A63 A(30,31,37) 109.7383 -DE/DX = 0.0 ! ! A64 A(30,31,38) 109.2088 -DE/DX = 0.0 ! ! A65 A(36,31,37) 109.2316 -DE/DX = 0.0 ! ! A66 A(36,31,38) 109.1638 -DE/DX = 0.0 ! ! A67 A(37,31,38) 106.369 -DE/DX = 0.0 ! ! A68 A(31,36,39) 109.4524 -DE/DX = 0.0 ! ! A69 A(31,36,40) 109.269 -DE/DX = 0.0 ! ! A70 A(31,36,41) 112.94 -DE/DX = 0.0 ! ! A71 A(39,36,40) 106.2762 -DE/DX = 0.0 ! ! A72 A(39,36,41) 109.366 -DE/DX = 0.0 ! ! A73 A(40,36,41) 109.3184 -DE/DX = 0.0 ! ! A74 A(36,41,42) 111.1279 -DE/DX = 0.0 ! ! A75 A(36,41,43) 111.1464 -DE/DX = 0.0 ! ! A76 A(36,41,44) 111.2582 -DE/DX = 0.0 ! ! A77 A(42,41,43) 107.6558 -DE/DX = 0.0 ! ! A78 A(42,41,44) 107.7658 -DE/DX = 0.0 ! ! A79 A(43,41,44) 107.7153 -DE/DX = 0.0 ! ! D1 D(3,1,2,13) -179.0281 -DE/DX = 0.0 ! ! D2 D(3,1,2,14) 61.8187 -DE/DX = 0.0 ! ! D3 D(3,1,2,18) -58.0998 -DE/DX = 0.0 ! ! D4 D(9,1,2,13) -60.4195 -DE/DX = 0.0 ! ! D5 D(9,1,2,14) -179.5728 -DE/DX = 0.0 ! ! D6 D(9,1,2,18) 60.5087 -DE/DX = 0.0 ! ! D7 D(12,1,2,13) 57.1206 -DE/DX = 0.0 ! ! D8 D(12,1,2,14) -62.0326 -DE/DX = 0.0 ! ! D9 D(12,1,2,18) 178.0489 -DE/DX = 0.0 ! ! D10 D(2,1,3,19) -59.2147 -DE/DX = 0.0 ! ! D11 D(9,1,3,19) 178.8161 -DE/DX = 0.0 ! ! D12 D(12,1,3,19) 64.3274 -DE/DX = 0.0 ! ! D13 D(2,1,9,7) 93.6818 -DE/DX = 0.0 ! ! D14 D(2,1,9,10) -83.5541 -DE/DX = 0.0 ! ! D15 D(3,1,9,7) -144.1836 -DE/DX = 0.0 ! ! D16 D(3,1,9,10) 38.5805 -DE/DX = 0.0 ! ! D17 D(12,1,9,7) -26.4116 -DE/DX = 0.0 ! ! D18 D(12,1,9,10) 156.3525 -DE/DX = 0.0 ! ! D19 D(4,5,6,7) 178.4958 -DE/DX = 0.0 ! ! D20 D(4,5,6,15) 0.0167 -DE/DX = 0.0 ! ! D21 D(11,5,6,7) -1.2615 -DE/DX = 0.0 ! ! D22 D(11,5,6,15) -179.7406 -DE/DX = 0.0 ! ! D23 D(4,5,11,10) -178.7063 -DE/DX = 0.0 ! ! D24 D(4,5,11,17) 2.1153 -DE/DX = 0.0 ! ! D25 D(6,5,11,10) 1.0317 -DE/DX = 0.0 ! ! D26 D(6,5,11,17) -178.1467 -DE/DX = 0.0 ! ! D27 D(5,6,7,8) -177.848 -DE/DX = 0.0 ! ! D28 D(5,6,7,9) 1.4891 -DE/DX = 0.0 ! ! D29 D(15,6,7,8) 0.6415 -DE/DX = 0.0 ! ! D30 D(15,6,7,9) 179.9787 -DE/DX = 0.0 ! ! D31 D(6,7,9,1) -178.7181 -DE/DX = 0.0 ! ! D32 D(6,7,9,10) -1.4976 -DE/DX = 0.0 ! ! D33 D(8,7,9,1) 0.6114 -DE/DX = 0.0 ! ! D34 D(8,7,9,10) 177.8319 -DE/DX = 0.0 ! ! D35 D(1,9,10,11) 178.7203 -DE/DX = 0.0 ! ! D36 D(1,9,10,16) -1.9759 -DE/DX = 0.0 ! ! D37 D(7,9,10,11) 1.5726 -DE/DX = 0.0 ! ! D38 D(7,9,10,16) -179.1235 -DE/DX = 0.0 ! ! D39 D(9,10,11,5) -1.2817 -DE/DX = 0.0 ! ! D40 D(9,10,11,17) 177.8881 -DE/DX = 0.0 ! ! D41 D(16,10,11,5) 179.4622 -DE/DX = 0.0 ! ! D42 D(16,10,11,17) -1.3681 -DE/DX = 0.0 ! ! D43 D(5,11,17,20) 135.5275 -DE/DX = 0.0 ! ! D44 D(5,11,17,24) -45.8588 -DE/DX = 0.0 ! ! D45 D(10,11,17,20) -43.6153 -DE/DX = 0.0 ! ! D46 D(10,11,17,24) 134.9984 -DE/DX = 0.0 ! ! D47 D(11,17,20,21) 177.5709 -DE/DX = 0.0 ! ! D48 D(11,17,20,25) -3.3114 -DE/DX = 0.0 ! ! D49 D(24,17,20,21) -1.0898 -DE/DX = 0.0 ! ! D50 D(24,17,20,25) 178.0279 -DE/DX = 0.0 ! ! D51 D(11,17,24,23) -177.8884 -DE/DX = 0.0 ! ! D52 D(11,17,24,29) 2.4785 -DE/DX = 0.0 ! ! D53 D(20,17,24,23) 0.7586 -DE/DX = 0.0 ! ! D54 D(20,17,24,29) -178.8745 -DE/DX = 0.0 ! ! D55 D(17,20,21,22) 0.872 -DE/DX = 0.0 ! ! D56 D(17,20,21,26) -179.6328 -DE/DX = 0.0 ! ! D57 D(25,20,21,22) -178.2495 -DE/DX = 0.0 ! ! D58 D(25,20,21,26) 1.2456 -DE/DX = 0.0 ! ! D59 D(20,21,22,23) -0.2846 -DE/DX = 0.0 ! ! D60 D(20,21,22,27) 179.1013 -DE/DX = 0.0 ! ! D61 D(26,21,22,23) -179.7769 -DE/DX = 0.0 ! ! D62 D(26,21,22,27) -0.391 -DE/DX = 0.0 ! ! D63 D(21,22,23,24) -0.0454 -DE/DX = 0.0 ! ! D64 D(21,22,23,28) -179.9206 -DE/DX = 0.0 ! ! D65 D(27,22,23,24) -179.4257 -DE/DX = 0.0 ! ! D66 D(27,22,23,28) 0.6991 -DE/DX = 0.0 ! ! D67 D(21,22,27,30) -75.0746 -DE/DX = 0.0 ! ! D68 D(21,22,27,32) 46.455 -DE/DX = 0.0 ! ! D69 D(21,22,27,33) 162.2455 -DE/DX = 0.0 ! ! D70 D(23,22,27,30) 104.2869 -DE/DX = 0.0 ! ! D71 D(23,22,27,32) -134.1835 -DE/DX = 0.0 ! ! D72 D(23,22,27,33) -18.3931 -DE/DX = 0.0 ! ! D73 D(22,23,24,17) -0.2035 -DE/DX = 0.0 ! ! D74 D(22,23,24,29) 179.4306 -DE/DX = 0.0 ! ! D75 D(28,23,24,17) 179.6724 -DE/DX = 0.0 ! ! D76 D(28,23,24,29) -0.6935 -DE/DX = 0.0 ! ! D77 D(22,27,30,31) -65.9927 -DE/DX = 0.0 ! ! D78 D(22,27,30,34) 57.0069 -DE/DX = 0.0 ! ! D79 D(22,27,30,35) 172.2958 -DE/DX = 0.0 ! ! D80 D(32,27,30,31) 172.2708 -DE/DX = 0.0 ! ! D81 D(32,27,30,34) -64.7296 -DE/DX = 0.0 ! ! D82 D(32,27,30,35) 50.5593 -DE/DX = 0.0 ! ! D83 D(33,27,30,31) 56.8039 -DE/DX = 0.0 ! ! D84 D(33,27,30,34) 179.8035 -DE/DX = 0.0 ! ! D85 D(33,27,30,35) -64.9076 -DE/DX = 0.0 ! ! D86 D(27,30,31,36) -178.6293 -DE/DX = 0.0 ! ! D87 D(27,30,31,37) 59.2555 -DE/DX = 0.0 ! ! D88 D(27,30,31,38) -56.9811 -DE/DX = 0.0 ! ! D89 D(34,30,31,36) 58.4892 -DE/DX = 0.0 ! ! D90 D(34,30,31,37) -63.626 -DE/DX = 0.0 ! ! D91 D(34,30,31,38) -179.8626 -DE/DX = 0.0 ! ! D92 D(35,30,31,36) -57.464 -DE/DX = 0.0 ! ! D93 D(35,30,31,37) -179.5792 -DE/DX = 0.0 ! ! D94 D(35,30,31,38) 64.1842 -DE/DX = 0.0 ! ! D95 D(30,31,36,39) 57.6907 -DE/DX = 0.0 ! ! D96 D(30,31,36,40) -58.3075 -DE/DX = 0.0 ! ! D97 D(30,31,36,41) 179.7879 -DE/DX = 0.0 ! ! D98 D(37,31,36,39) -179.9101 -DE/DX = 0.0 ! ! D99 D(37,31,36,40) 64.0918 -DE/DX = 0.0 ! ! D100 D(37,31,36,41) -57.8128 -DE/DX = 0.0 ! ! D101 D(38,31,36,39) -63.9829 -DE/DX = 0.0 ! ! D102 D(38,31,36,40) -179.9811 -DE/DX = 0.0 ! ! D103 D(38,31,36,41) 58.1143 -DE/DX = 0.0 ! ! D104 D(31,36,41,42) 59.7672 -DE/DX = 0.0 ! ! D105 D(31,36,41,43) -60.1072 -DE/DX = 0.0 ! ! D106 D(31,36,41,44) 179.8558 -DE/DX = 0.0 ! ! D107 D(39,36,41,42) -178.087 -DE/DX = 0.0 ! ! D108 D(39,36,41,43) 62.0385 -DE/DX = 0.0 ! ! D109 D(39,36,41,44) -57.9985 -DE/DX = 0.0 ! ! D110 D(40,36,41,42) -62.1095 -DE/DX = 0.0 ! ! D111 D(40,36,41,43) 178.016 -DE/DX = 0.0 ! ! D112 D(40,36,41,44) 57.979 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.018835 -4.615324 2.464733 2 6 0 7.165048 -3.464686 3.448664 3 8 0 6.772880 -5.828613 3.112725 4 8 0 2.850510 -3.696012 -0.929784 5 6 0 3.708425 -3.948138 -0.137272 6 7 0 5.028755 -3.636493 -0.430501 7 6 0 6.139984 -3.815711 0.344650 8 8 0 7.231276 -3.468457 -0.008628 9 7 0 5.891985 -4.409777 1.556632 10 6 0 4.611692 -4.751565 1.935905 11 6 0 3.524226 -4.575202 1.179200 12 1 0 7.894048 -4.685526 1.839943 13 1 0 7.337551 -2.537181 2.916422 14 1 0 8.012440 -3.637818 4.106066 15 1 0 5.191788 -3.204996 -1.315904 16 1 0 4.547215 -5.193856 2.907579 17 6 0 2.176337 -5.009698 1.632779 18 1 0 6.273400 -3.366082 4.058329 19 1 0 7.487069 -6.021323 3.704702 20 6 0 2.001535 -6.248586 2.242618 21 6 0 0.761822 -6.642779 2.713489 22 6 0 -0.352485 -5.823274 2.577269 23 6 0 -0.176184 -4.591907 1.957056 24 6 0 1.062420 -4.188767 1.489907 25 1 0 2.837897 -6.918432 2.338531 26 1 0 0.662082 -7.605297 3.185633 27 6 0 -1.709951 -6.272631 3.078207 28 1 0 -1.018574 -3.933092 1.837015 29 1 0 1.160894 -3.235438 1.007773 30 6 0 -2.396097 -7.327945 2.193939 31 6 0 -2.789573 -6.826236 0.803687 32 1 0 -1.597508 -6.681776 4.078832 33 1 0 -2.362293 -5.409035 3.172430 34 1 0 -1.742951 -8.192134 2.095494 35 1 0 -3.287430 -7.675651 2.712346 36 6 0 -3.498643 -7.891209 -0.035400 37 1 0 -1.905466 -6.483116 0.273623 38 1 0 -3.441498 -5.959513 0.906652 39 1 0 -4.385929 -8.236369 0.491660 40 1 0 -2.849097 -8.757857 -0.139044 41 6 0 -3.896653 -7.388875 -1.422817 42 1 0 -3.026196 -7.067807 -1.987528 43 1 0 -4.574982 -6.543008 -1.353706 44 1 0 -4.394603 -8.165807 -1.994906 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521008 0.000000 3 O 1.397304 2.419669 0.000000 4 O 5.453697 6.151386 6.022860 0.000000 5 C 4.263143 5.004089 4.846602 1.194847 0.000000 6 N 3.647041 4.431838 4.516837 2.235526 1.387940 7 C 2.430331 3.287685 3.480599 3.529752 2.482392 8 O 2.734584 3.457928 3.939963 4.482346 3.557686 9 N 1.461741 2.468536 2.282651 3.992781 2.801849 10 C 2.468311 3.234830 2.686200 3.525355 2.399885 11 C 3.723775 4.431625 3.982877 2.382159 1.469774 12 H 1.077631 2.147061 2.045395 5.838476 4.687490 13 H 2.150415 1.083192 3.345282 6.022435 4.948374 14 H 2.153309 1.086381 2.706070 7.211705 6.052004 15 H 4.429486 5.163555 5.384791 2.423174 2.035142 16 H 2.576765 3.183684 2.323485 4.455076 3.395070 17 C 4.929246 5.529172 4.897864 2.957534 2.570464 18 H 2.157737 1.084643 2.684717 6.058572 4.951864 19 H 1.932253 2.589526 0.947439 6.955804 5.773822 20 C 5.281116 5.988866 4.868182 4.159390 3.724166 21 C 6.581996 7.186241 6.079068 5.130252 4.906158 22 C 7.470486 7.926889 7.145457 5.204213 5.232194 23 C 7.212946 7.575567 7.152237 4.277540 4.459914 24 C 6.050712 6.450046 6.158894 3.048766 3.115598 25 H 4.774984 5.646680 4.155860 4.589774 3.963592 26 H 7.061725 7.713781 6.364258 6.083452 5.804887 27 C 8.905882 9.315976 8.494514 6.595511 6.715756 28 H 8.090699 8.353950 8.119555 4.762477 5.122748 29 H 6.192115 6.485396 6.530678 2.611714 2.882530 30 C 9.801663 10.388195 9.336075 7.104608 7.356821 31 C 10.190784 10.834685 9.887740 6.679353 7.168879 32 H 9.006493 9.355703 8.469040 7.333886 7.307615 33 H 9.441207 9.727642 9.144998 6.850980 7.066963 34 H 9.470945 10.175081 8.896087 7.104034 7.260457 35 H 10.753884 11.292860 10.236292 8.171716 8.423577 36 C 11.295992 12.060146 10.939341 7.662333 8.215839 37 H 9.377247 10.073035 9.154374 5.642291 6.173388 38 H 10.660817 11.188601 10.450713 6.934356 7.500453 39 H 12.127392 12.842815 11.712655 8.660334 9.181669 40 H 11.014369 11.881600 10.570568 7.663750 8.132312 41 C 11.914425 12.707943 11.698055 7.707433 8.445621 42 H 11.257884 12.099426 11.116207 6.857368 7.649241 43 H 12.357712 13.052476 12.216109 7.963857 8.765152 44 H 12.757777 13.614643 12.500521 8.579348 9.321941 6 7 8 9 10 6 N 0.000000 7 C 1.366679 0.000000 8 O 2.248848 1.198461 0.000000 9 N 2.300399 1.372340 2.264912 0.000000 10 C 2.649000 2.396579 3.505680 1.378338 0.000000 11 C 2.394978 2.848770 4.046980 2.403353 1.336522 12 H 3.803327 2.463578 2.310354 2.040725 3.284422 13 H 4.211997 3.111722 3.071560 2.728609 3.646261 14 H 5.429808 4.205470 4.191611 3.404682 4.185106 15 H 0.998353 2.007359 2.436780 3.192685 3.647280 16 H 3.714841 3.317348 4.322667 2.061127 1.069547 17 C 3.778770 4.335364 5.533720 3.764538 2.467686 18 H 4.666033 3.743177 4.179491 2.737383 3.030762 19 H 5.369416 4.239022 4.513466 3.123392 3.606761 20 C 4.809642 5.162163 6.336200 4.357453 3.024577 21 C 6.093369 6.521375 7.703251 5.713422 4.359223 22 C 6.541134 7.153115 8.351375 6.483292 5.118883 23 C 5.805569 6.564779 7.745743 6.084093 4.790585 24 C 4.441259 5.218471 6.388994 4.835080 3.621186 25 H 4.820635 4.950375 6.059147 4.028916 2.829093 26 H 6.920670 7.241517 8.394705 6.341678 5.030411 27 C 8.041792 8.667772 9.865977 7.973384 6.601642 28 H 6.465275 7.313404 8.466541 6.932652 5.690305 29 H 4.146061 5.056460 6.159294 4.905460 3.881762 30 C 8.697294 9.413837 10.603455 8.809890 7.470838 31 C 8.533694 9.434563 10.599621 9.042989 7.769486 32 H 8.574100 9.056889 10.245984 8.222894 6.846315 33 H 8.411338 9.100755 10.291820 8.470090 7.113209 34 H 8.543448 9.184726 10.357471 8.537496 7.228034 35 H 9.764795 10.458549 11.651067 9.811385 8.458680 36 C 9.538094 10.471736 11.605715 10.140949 8.917452 37 H 7.528776 8.476400 9.625378 8.169767 6.945128 38 H 8.884232 9.834456 10.997782 9.483568 8.208067 39 H 10.518817 11.417473 12.567527 11.018734 9.756377 40 H 9.400738 10.269486 11.384581 9.908967 8.718897 41 C 9.732829 10.799330 11.882779 10.656903 9.519893 42 H 8.892720 10.001702 11.049303 9.957919 8.893573 43 H 10.076303 11.186289 12.273950 11.071501 9.920977 44 H 10.571741 11.635050 12.695333 11.512388 10.402964 11 12 13 14 15 11 C 0.000000 12 H 4.420871 0.000000 13 H 4.659713 2.466552 0.000000 14 H 5.439604 2.499404 1.755600 0.000000 15 H 3.299056 4.410618 4.791958 6.127085 0.000000 16 H 2.101556 3.549583 3.852788 3.983139 4.712627 17 C 1.487053 5.730640 5.865084 6.485314 4.587443 18 H 4.160446 3.047732 1.767328 1.760789 5.484361 19 H 4.916661 2.329659 3.575331 2.473500 6.197298 20 C 2.499932 6.109584 6.534647 6.813187 5.666060 21 C 3.776214 7.447320 7.754826 7.971230 6.904995 22 C 4.305945 8.357238 8.369593 8.779829 7.262998 23 C 3.781319 8.071625 7.848471 8.519512 6.438239 24 C 2.511246 6.858603 6.643790 7.446516 5.088425 25 H 2.702928 5.549696 6.306838 6.376715 5.717106 26 H 4.625918 7.914372 8.385713 8.403324 7.755303 27 C 5.821006 9.812696 9.789641 10.125395 8.737998 28 H 4.634873 8.944328 8.540405 9.316382 7.002829 29 H 2.722074 6.937624 6.502430 7.530272 4.652796 30 C 6.607383 10.629900 10.872778 11.207627 9.321679 31 C 6.713585 10.945146 11.199031 11.736916 9.017105 32 H 6.251214 9.954260 9.917870 10.080551 9.342683 33 H 6.270514 10.367812 10.119292 10.566171 9.059088 34 H 6.454838 10.258331 10.728836 10.952252 9.197814 35 H 7.639501 11.607213 11.804056 12.080298 10.397630 36 C 7.860779 11.982768 12.441944 12.951760 9.956098 37 H 5.825956 10.085394 10.391735 11.006734 7.977699 38 H 7.107173 11.445029 11.486489 12.116897 9.330635 39 H 8.743421 12.853957 13.258967 13.708762 10.968805 40 H 7.736383 11.658278 12.320734 12.736119 9.842515 41 C 8.352047 12.528940 12.983654 13.655236 10.005800 42 H 7.690856 11.814251 12.328120 13.067064 9.105364 43 H 8.711202 13.004859 13.273624 14.024707 10.321509 44 H 9.256092 13.335268 13.908487 14.548513 10.815248 16 17 18 19 20 16 H 0.000000 17 C 2.698165 0.000000 18 H 2.764904 5.036933 0.000000 19 H 3.156398 5.789657 2.940808 0.000000 20 C 2.834629 1.391871 5.463924 5.681587 0.000000 21 C 4.057863 2.415727 6.551552 6.826248 1.383472 22 C 4.950993 2.819380 7.220366 7.922685 2.415428 23 C 4.855547 2.411236 6.893122 7.988927 2.751107 24 C 3.894072 1.391096 5.867531 7.038444 2.385658 25 H 2.493942 2.139863 5.232550 4.928086 1.075822 26 H 4.581117 3.382523 7.086568 7.025586 2.126988 27 C 6.351772 4.334455 8.552343 9.221759 3.804460 28 H 5.806345 3.377609 7.643861 8.955162 3.827151 29 H 4.348774 2.137698 5.954887 7.419911 3.363121 30 C 7.298850 5.157162 9.712491 10.082988 4.528416 31 C 7.805094 5.352333 10.232441 10.708555 5.035764 32 H 6.429881 4.798013 8.540810 9.116234 4.063551 33 H 6.917930 4.809278 8.918165 9.882720 4.540087 34 H 7.015365 5.069795 9.560616 9.617444 4.221397 35 H 8.220650 6.174586 10.573246 10.945840 5.498209 36 C 8.981797 6.579615 11.520773 11.754604 6.175721 37 H 7.087808 4.547459 9.535919 10.010259 4.381393 38 H 8.271002 5.743646 10.537466 11.281245 5.612038 39 H 9.741387 7.401141 12.249985 12.497926 6.914971 40 H 8.757252 6.514833 11.397769 11.362189 5.957968 41 C 9.740091 7.202664 12.233389 12.559888 7.037350 42 H 9.210338 6.663991 11.693487 12.001056 6.621430 43 H 10.158408 7.539923 12.532772 13.090177 7.501387 44 H 10.621816 8.142381 13.171382 13.351347 7.908408 21 22 23 24 25 21 C 0.000000 22 C 1.389901 0.000000 23 C 2.378681 1.389968 0.000000 24 C 2.758566 2.419902 1.383796 0.000000 25 H 2.127596 3.381553 3.826608 3.365048 0.000000 26 H 1.076713 2.138939 3.360448 3.835158 2.433832 27 C 2.525805 1.515116 2.536583 3.814608 4.652645 28 H 3.358633 2.136455 1.076135 2.125180 4.902666 29 H 3.831279 3.383863 2.128127 1.072841 4.260011 30 C 3.272894 2.566579 3.531293 4.723498 5.251981 31 C 4.036509 3.176622 3.626608 4.718579 5.833752 32 H 2.726192 2.131150 3.299947 4.471336 4.770479 33 H 3.390110 2.136619 2.631331 4.006070 5.478654 34 H 3.009369 2.788727 3.928811 4.925828 4.760835 35 H 4.178907 3.473248 4.445198 5.707356 6.183263 36 C 5.221736 4.582653 5.088616 6.069426 6.836197 37 H 3.618406 2.855508 3.066111 3.943568 5.191612 38 H 4.625949 3.514473 3.692691 4.874526 6.511574 39 H 5.828842 5.142127 5.757729 6.860327 7.571760 40 H 5.064507 4.714150 5.375243 6.231375 6.470221 41 C 6.274319 5.568925 5.752257 6.581570 7.728080 42 H 6.052213 5.434608 5.460072 6.090829 7.288668 43 H 6.710701 5.813782 5.841007 6.738611 8.290014 44 H 7.146839 6.536892 6.796015 7.598675 8.523125 26 27 28 29 30 26 H 0.000000 27 C 2.722881 0.000000 28 H 4.257753 2.737153 0.000000 29 H 4.907908 4.664011 2.434018 0.000000 30 C 3.226893 1.538315 3.681031 5.550476 0.000000 31 C 4.265504 2.577887 3.546052 5.342441 1.529488 32 H 2.599316 1.086873 3.593908 5.377493 2.146649 33 H 3.737725 1.086383 2.401525 4.671522 2.154253 34 H 2.704988 2.156688 4.327929 5.846733 1.087711 35 H 3.978390 2.142605 4.463257 6.512192 1.088173 36 C 5.269576 3.938751 5.032233 6.669010 2.550064 37 H 4.041212 2.819259 3.119839 4.526472 2.154546 38 H 4.974105 2.794986 3.292798 5.349096 2.150017 39 H 5.756575 4.208010 5.627366 7.486183 2.771718 40 H 4.970940 4.221932 5.525756 6.920429 2.773566 41 C 6.485886 5.127074 5.554483 6.981231 3.916160 42 H 6.376040 5.294004 5.337051 6.417990 4.236668 43 H 7.011483 5.284256 5.444299 7.029714 4.236679 44 H 7.261006 6.043835 6.633028 8.011751 4.716191 31 32 33 34 35 31 C 0.000000 32 H 3.488332 0.000000 33 H 2.793201 1.739635 0.000000 34 H 2.151710 2.497192 3.047789 0.000000 35 H 2.147637 2.389751 2.491005 1.741458 0.000000 36 C 1.530037 4.690837 4.212203 2.777359 2.764270 37 H 1.086437 3.822816 3.124969 2.503271 3.046200 38 H 1.089411 3.739611 2.569331 3.046802 2.495876 39 H 2.152716 4.802068 4.390382 3.091856 2.540188 40 H 2.150220 4.864881 4.734708 2.556709 3.081190 41 C 2.549414 6.004516 5.233577 4.202639 4.189627 42 H 2.811624 6.244269 5.460537 4.425144 4.746213 43 H 2.814649 6.196538 5.164087 4.757835 4.412873 44 H 3.493235 6.849553 6.199310 4.874763 4.860484 36 37 38 39 40 36 C 0.000000 37 H 2.148589 0.000000 38 H 2.149924 1.741918 0.000000 39 H 1.088211 3.045346 2.499648 0.000000 40 H 1.087995 2.497034 3.045513 1.741147 0.000000 41 C 1.528293 2.768237 2.770680 2.150084 2.149317 42 H 2.170714 2.590502 3.126831 3.059540 2.510882 43 H 2.171193 3.126996 2.595086 2.511690 3.059353 44 H 2.172052 3.764767 3.767649 2.487582 2.486631 41 42 43 44 41 C 0.000000 42 H 1.086131 0.000000 43 H 1.086461 1.753820 0.000000 44 H 1.085754 1.754479 1.754181 0.000000 Stoichiometry C17H22N2O3 Framework group C1[X(C17H22N2O3)] Deg. of freedom 126 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 -4.789319 -0.967246 0.538659 2 6 0 -5.346506 -1.532748 -0.758729 3 8 0 -4.243353 -1.964367 1.351142 4 8 0 -0.837410 2.643680 -0.503664 5 6 0 -1.639215 1.791423 -0.261948 6 7 0 -2.965960 2.136788 -0.045500 7 6 0 -4.029193 1.318179 0.213780 8 8 0 -5.144021 1.737438 0.346779 9 7 0 -3.708901 -0.013936 0.292523 10 6 0 -2.417852 -0.451420 0.088524 11 6 0 -1.377790 0.348226 -0.166676 12 1 0 -5.553406 -0.419737 1.065626 13 1 0 -5.746286 -0.735198 -1.373055 14 1 0 -6.151502 -2.231468 -0.548974 15 1 0 -3.181943 3.109597 -0.106346 16 1 0 -2.299029 -1.511782 0.162297 17 6 0 -0.000482 -0.187725 -0.331315 18 1 0 -4.574087 -2.056414 -1.311534 19 1 0 -4.910768 -2.604175 1.558127 20 6 0 0.488325 -1.158690 0.537936 21 6 0 1.749371 -1.700715 0.364826 22 6 0 2.575905 -1.281259 -0.670896 23 6 0 2.088706 -0.302925 -1.529680 24 6 0 0.825765 0.238478 -1.366117 25 1 0 -0.115248 -1.485114 1.366514 26 1 0 2.094944 -2.454398 1.051741 27 6 0 3.963132 -1.866583 -0.839931 28 1 0 2.703146 0.042947 -2.342640 29 1 0 0.484898 0.998698 -2.042034 30 6 0 4.998052 -1.351594 0.175027 31 6 0 5.329284 0.135333 0.038399 32 1 0 3.901524 -2.948039 -0.750765 33 1 0 4.319341 -1.662437 -1.845748 34 1 0 4.641577 -1.551953 1.182944 35 1 0 5.910123 -1.932223 0.052075 36 6 0 6.385439 0.605008 1.040874 37 1 0 4.426346 0.725701 0.166906 38 1 0 5.683496 0.332197 -0.972835 39 1 0 7.292240 0.016907 0.914167 40 1 0 6.033520 0.408869 2.051525 41 6 0 6.720583 2.089564 0.901407 42 1 0 5.839852 2.705982 1.056393 43 1 0 7.108721 2.312425 -0.088582 44 1 0 7.469617 2.393814 1.626143 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6058634 0.1065787 0.0968110 SCF density gives NOpUse= 1 NOpAll= 1. ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -20.59566 -20.54297 -20.53938 -15.63394 -15.61728 Alpha occ. eigenvalues -- -11.40618 -11.36908 -11.34747 -11.31200 -11.24864 Alpha occ. eigenvalues -- -11.24196 -11.23917 -11.23344 -11.23041 -11.22564 Alpha occ. eigenvalues -- -11.22458 -11.22260 -11.22252 -11.21586 -11.21096 Alpha occ. eigenvalues -- -11.20798 -11.20359 -1.44480 -1.41507 -1.40487 Alpha occ. eigenvalues -- -1.30470 -1.24392 -1.16214 -1.10643 -1.07837 Alpha occ. eigenvalues -- -1.04456 -1.02856 -1.01124 -0.98668 -0.92996 Alpha occ. eigenvalues -- -0.91852 -0.91310 -0.86051 -0.83118 -0.82769 Alpha occ. eigenvalues -- -0.79622 -0.78135 -0.77284 -0.74371 -0.72063 Alpha occ. eigenvalues -- -0.69464 -0.67902 -0.67651 -0.66303 -0.64804 Alpha occ. eigenvalues -- -0.64366 -0.63563 -0.62801 -0.62568 -0.60423 Alpha occ. eigenvalues -- -0.59167 -0.58865 -0.58324 -0.57917 -0.57070 Alpha occ. eigenvalues -- -0.56244 -0.55683 -0.55262 -0.54151 -0.53390 Alpha occ. eigenvalues -- -0.51342 -0.50925 -0.49557 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-0.000000 3 O -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 4 O -0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 5 C -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 6 N 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 7 C 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 8 O -0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000 9 N -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 C -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 11 C -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 12 H -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 13 H 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 14 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 H -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 H -0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 C 0.000005 0.000004 -0.000014 -0.000005 0.000000 -0.000000 18 H 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 19 H 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 20 C 0.000001 0.000062 -0.000043 -0.000007 0.000000 -0.000001 21 C 0.000185 -0.003711 0.003278 0.002137 -0.000016 -0.000017 22 C -0.004529 -0.043203 -0.049450 -0.004471 0.005762 0.000018 23 C -0.000762 0.001797 -0.001810 0.000366 -0.000064 0.000025 24 C -0.000036 -0.000082 0.000265 -0.000004 0.000000 0.000001 25 H 0.000000 -0.000002 0.000002 0.000003 -0.000000 0.000000 26 H 0.000013 0.001451 -0.000008 0.000718 -0.000032 -0.000001 27 C -0.051572 0.407103 0.404984 -0.039733 -0.041678 0.003941 28 H 0.000089 -0.000007 0.002681 0.000011 -0.000003 -0.000001 29 H -0.000000 0.000002 -0.000005 0.000000 -0.000000 0.000000 30 C 0.348296 -0.043432 -0.038826 0.395676 0.397497 -0.051847 31 C 5.096292 0.004391 -0.004005 -0.040451 -0.042003 0.353462 32 H 0.004391 0.535237 -0.027451 -0.001630 -0.003384 -0.000076 33 H -0.004005 -0.027451 0.535459 0.004206 -0.002227 -0.000064 34 H -0.040451 -0.001630 0.004206 0.554848 -0.030803 -0.003345 35 H -0.042003 -0.003384 -0.002227 -0.030803 0.560410 -0.003380 36 C 0.353462 -0.000076 -0.000064 -0.003345 -0.003380 5.054383 37 H 0.397385 -0.000031 0.000315 -0.002397 0.004340 -0.039348 38 H 0.396633 -0.000029 0.002644 0.004544 -0.002826 -0.041966 39 H -0.043327 -0.000002 0.000011 0.000222 0.002523 0.399551 40 H -0.043021 0.000001 -0.000001 0.002389 0.000231 0.400165 41 C -0.056876 0.000001 -0.000001 -0.000055 -0.000051 0.343950 42 H -0.003431 -0.000000 0.000000 0.000011 -0.000001 -0.037871 43 H -0.003752 0.000000 -0.000001 -0.000001 0.000013 -0.038287 44 H 0.004463 -0.000000 0.000000 0.000001 0.000000 -0.036328 37 38 39 40 41 42 1 C -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 2 C -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 3 O 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 4 O 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 5 C 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 6 N -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 7 C -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 8 O 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 9 N 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 10 C 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 11 C -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 13 H -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 H 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 16 H 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 17 C -0.000029 0.000000 0.000000 0.000000 -0.000000 0.000000 18 H -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 19 H -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 20 C -0.000063 -0.000000 0.000000 -0.000000 0.000000 0.000000 21 C 0.000409 0.000008 -0.000000 -0.000002 0.000000 -0.000000 22 C 0.004601 -0.000188 -0.000007 0.000017 0.000001 -0.000003 23 C 0.001198 0.000368 -0.000001 0.000003 0.000001 -0.000001 24 C 0.000034 0.000004 -0.000000 -0.000000 -0.000000 0.000000 25 H -0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 26 H -0.000003 0.000001 -0.000000 0.000000 -0.000000 -0.000000 27 C -0.004425 -0.002288 -0.000092 -0.000058 -0.000085 0.000001 28 H 0.000005 0.000232 -0.000000 0.000000 -0.000000 0.000000 29 H -0.000003 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 30 C -0.038219 -0.044565 -0.003168 -0.003269 0.004079 -0.000067 31 C 0.397385 0.396633 -0.043327 -0.043021 -0.056876 -0.003431 32 H -0.000031 -0.000029 -0.000002 0.000001 0.000001 -0.000000 33 H 0.000315 0.002644 0.000011 -0.000001 -0.000001 0.000000 34 H -0.002397 0.004544 0.000222 0.002389 -0.000055 0.000011 35 H 0.004340 -0.002826 0.002523 0.000231 -0.000051 -0.000001 36 C -0.039348 -0.041966 0.399551 0.400165 0.343950 -0.037871 37 H 0.531503 -0.031213 0.004373 -0.002941 -0.002484 0.002423 38 H -0.031213 0.570388 -0.003054 0.004634 -0.002739 0.000136 39 H 0.004373 -0.003054 0.567302 -0.033215 -0.040438 0.004275 40 H -0.002941 0.004634 -0.033215 0.561997 -0.039940 -0.002953 41 C -0.002484 -0.002739 -0.040438 -0.039940 5.093113 0.393156 42 H 0.002423 0.000136 0.004275 -0.002953 0.393156 0.539893 43 H 0.000139 0.002501 -0.002971 0.004291 0.392231 -0.029444 44 H -0.000065 -0.000062 -0.002606 -0.002652 0.395081 -0.027879 43 44 1 C -0.000000 0.000000 2 C 0.000000 0.000000 3 O 0.000000 0.000000 4 O 0.000000 0.000000 5 C 0.000000 0.000000 6 N 0.000000 0.000000 7 C 0.000000 0.000000 8 O 0.000000 0.000000 9 N -0.000000 -0.000000 10 C -0.000000 -0.000000 11 C 0.000000 0.000000 12 H 0.000000 0.000000 13 H 0.000000 0.000000 14 H 0.000000 0.000000 15 H 0.000000 -0.000000 16 H -0.000000 0.000000 17 C 0.000000 0.000000 18 H 0.000000 0.000000 19 H 0.000000 0.000000 20 C -0.000000 -0.000000 21 C -0.000000 -0.000000 22 C 0.000000 0.000000 23 C -0.000000 -0.000000 24 C -0.000000 0.000000 25 H -0.000000 0.000000 26 H 0.000000 0.000000 27 C -0.000000 0.000001 28 H 0.000000 -0.000000 29 H -0.000000 0.000000 30 C -0.000064 -0.000090 31 C -0.003752 0.004463 32 H 0.000000 -0.000000 33 H -0.000001 0.000000 34 H -0.000001 0.000001 35 H 0.000013 0.000000 36 C -0.038287 -0.036328 37 H 0.000139 -0.000065 38 H 0.002501 -0.000062 39 H -0.002971 -0.002606 40 H 0.004291 -0.002652 41 C 0.392231 0.395081 42 H -0.029444 -0.027879 43 H 0.548684 -0.028431 44 H -0.028431 0.539138 Mulliken charges: 1 1 C 0.359295 2 C -0.504773 3 O -0.750448 4 O -0.584153 5 C 0.842662 6 N -0.939918 7 C 1.077854 8 O -0.625032 9 N -0.795233 10 C 0.173406 11 C -0.245549 12 H 0.226483 13 H 0.198174 14 H 0.163447 15 H 0.423905 16 H 0.275528 17 C 0.034200 18 H 0.178080 19 H 0.457271 20 C -0.216356 21 C -0.224681 22 C 0.044108 23 C -0.234489 24 C -0.184142 25 H 0.205832 26 H 0.196611 27 C -0.346567 28 H 0.199869 29 H 0.226814 30 C -0.301906 31 C -0.307450 32 H 0.172990 33 H 0.170061 34 H 0.157771 35 H 0.155691 36 C -0.302966 37 H 0.174498 38 H 0.146837 39 H 0.150623 40 H 0.154322 41 C -0.478945 42 H 0.161756 43 H 0.155092 44 H 0.159429 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.585778 2 C 0.034928 3 O -0.293178 4 O -0.584153 5 C 0.842662 6 N -0.516013 7 C 1.077854 8 O -0.625032 9 N -0.795233 10 C 0.448933 11 C -0.245549 17 C 0.034200 20 C -0.010524 21 C -0.028069 22 C 0.044108 23 C -0.034620 24 C 0.042672 27 C -0.003516 30 C 0.011556 31 C 0.013884 36 C 0.001980 41 C -0.002667 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147124283 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 35.86 SMaxX= 25.74 Shift= 11.624653 5.570987 4.426949 Box 1 Number 0 centers from 1 to 132: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.59D+01 RnKept= 2.13D+01 NSMCal= 8778 NSMKep= 5830 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 5830 NTPThr= 100 NPartT= 1 Incr= 58 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= 58. PRISM was handed 2146609347 working-precision words and 5830 shell-pairs IPart= 0 NShTot= 5830 NBatch= 62 AvBLen= 94.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 59. Electronic moments (au): -162.00000000 -0.69901679 -1.97858326 -0.03733058 -9211.66655778 -1404.60203204 -477.07204987 11.11774271 -1.14062671 -2.35179066 -18617.33793860 -1013.49557806 148.44130470 548.95316471 -1793.18059127 -5418.35686061 -746.38748891 285.57471138 -244.05090703 -1635.30333507 -951688.58511965 -24851.16085977 -4288.64114049 -77771.95888425 -44801.10057206 -80.26360661 316.91928870 419.14657006 3.62565004 -83849.58232942 -29299.90550722 -3836.97718462 -13947.67708318 -680.00631976 -3508.54093756 Electronic spatial extent (au): = 11093.3406 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 162.00000000 0.00000000 -0.00000000 -0.00000000 9123.14877179 1305.79066521 380.44417241 0.00000000 -0.00000000 0.00000000 18514.11302316 983.98334365 -143.35040740 -614.83097750 1617.55789243 5416.41506790 720.66897675 -280.65471435 267.35561672 1655.54543154 918982.54623037 20158.99393355 2639.23575313 79585.02257542 44390.95824949 163.53872488 -434.22999002 -556.44081990 -98.19105284 77838.49916581 23666.67213835 2784.07673417 13646.38414160 574.83180791 3569.87839102 Total moments (au): -0.00000000 -0.69901679 -1.97858326 -0.03733058 -88.51778599 -98.81136683 -96.62787746 11.11774271 -1.14062671 -2.35179066 -103.22491544 -29.51223441 5.09089731 -65.87781279 -175.62269884 -1.94179272 -25.71851216 4.91999703 23.30470969 20.24209647 -32706.03888928 -4692.16692622 -1649.40538736 1813.06369117 -410.14232257 83.27511827 -117.31070132 -137.29424984 -94.56540280 -6011.08316361 -5633.23336887 -1052.90045045 -301.29294158 -105.17451185 61.33745346 Traceless Quadrup. (au): 6.13455744 -4.15902340 -1.97553404 11.11774271 -1.14062671 -2.35179066 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= -1.7767 Y= -5.0291 Z= -0.0949 Tot= 5.3345 Quadrupole moment (field-independent basis, Debye-Ang): XX= -119.0595 YY= -132.9047 ZZ= -129.9678 XY= 14.9537 XZ= -1.5342 YZ= -3.1632 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 8.2512 YY= -5.5940 ZZ= -2.6572 XY= 14.9537 XZ= -1.5342 YZ= -3.1632 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -73.4715 YYY= -21.0057 ZZZ= 3.6235 XYY= -46.8893 XXY= -125.0015 XXZ= -1.3821 XZZ= -18.3054 YZZ= 3.5019 YYZ= 16.5874 XYZ= 14.4075 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -12318.6626 YYYY= -1767.2951 ZZZZ= -621.2452 XXXY= 682.8867 XXXZ= -154.4793 YYYX= 31.3654 YYYZ= -44.1848 ZZZX= -51.7116 ZZZY= -35.6179 XXYY= -2264.0622 XXZZ= -2121.7458 YYZZ= -396.5728 XXYZ= -113.4814 YYXZ= -39.6138 ZZXY= 23.1026 N-N= 1.736702296389D+03 E-N=-5.788739507852D+03 KE= 9.888854444091D+02 Entering OneElI... OneElI was handed 2147192890 working-precision words. Calculate electrostatic properties NBasis = 374 MinDer = 0 MaxDer = 0 NGrid = 44 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 29.89 SMaxX= 25.74 Shift= 11.624653 5.570987 4.426949 Box 1 Number 0 centers from 1 to 132: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 2.99D+01 RnKept= 1.85D+01 NSMCal= 8778 NSMKep= 5051 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 222244 NTPThr= 100 NPartT= 12 Incr= 185 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= 185. PRISM was handed 178759207 working-precision words and 5051 shell-pairs PRISM was handed 178759207 working-precision words and 5051 shell-pairs PRISM was handed 178759207 working-precision words and 5051 shell-pairs PRISM was handed 178759207 working-precision words and 5051 shell-pairs PRISM was handed 178759207 working-precision words and 5051 shell-pairs PRISM was handed 178759207 working-precision words and 5051 shell-pairs PRISM was handed 178759207 working-precision words and 5051 shell-pairs PRISM was handed 178759207 working-precision words and 5051 shell-pairs PRISM was handed 178759207 working-precision words and 5051 shell-pairs PRISM was handed 178759207 working-precision words and 5051 shell-pairs PRISM was handed 178759207 working-precision words and 5051 shell-pairs PRISM was handed 178759207 working-precision words and 5051 shell-pairs IPart= 0 NShTot= 19360 NBatch= 440 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 18524 NBatch= 421 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 7 NShTot= 18348 NBatch= 417 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 5 NShTot= 18700 NBatch= 425 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 8 NShTot= 18172 NBatch= 413 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 17864 NBatch= 406 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 11 NShTot= 17644 NBatch= 401 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 1 NShTot= 19140 NBatch= 435 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 3 NShTot= 18744 NBatch= 426 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 9 NShTot= 18040 NBatch= 410 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 4 NShTot= 18700 NBatch= 425 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 2 NShTot= 19008 NBatch= 432 AvBLen= 44.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 2221. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.006748 -0.133886 0.140635 2 Atom 0.010964 0.008515 -0.019480 3 Atom -0.036357 -0.768461 0.804818 4 Atom 0.450292 0.372063 -0.822355 5 Atom 0.075859 0.395187 -0.471046 6 Atom -0.396384 -0.394351 0.790735 7 Atom 0.299979 0.117226 -0.417205 8 Atom -0.719344 1.145957 -0.426613 9 Atom -0.443384 -0.465693 0.909078 10 Atom 0.039273 0.325585 -0.364859 11 Atom 0.079838 0.006183 -0.086021 12 Atom -0.083384 0.039725 0.043659 13 Atom 0.095530 -0.098703 0.003173 14 Atom -0.095898 -0.033484 0.129383 15 Atom 0.151932 -0.393012 0.241081 16 Atom 0.140610 -0.313075 0.172465 17 Atom 0.011763 -0.053069 0.041306 18 Atom -0.086436 0.050904 0.035532 19 Atom -0.139778 -0.096476 0.236254 20 Atom 0.105073 -0.080822 -0.024251 21 Atom 0.108271 -0.095010 -0.013261 22 Atom 0.079123 -0.089289 0.010166 23 Atom 0.098691 -0.073590 -0.025100 24 Atom 0.120790 -0.086886 -0.033904 25 Atom 0.002758 0.121431 -0.124189 26 Atom 0.105195 -0.070677 -0.034518 27 Atom -0.034512 0.016549 0.017963 28 Atom -0.001832 0.115345 -0.113513 29 Atom 0.104297 -0.071061 -0.033235 30 Atom -0.004716 0.011836 -0.007120 31 Atom 0.019175 -0.010351 -0.008824 32 Atom 0.148646 -0.303592 0.154946 33 Atom 0.100117 0.141531 -0.241648 34 Atom 0.104291 0.137557 -0.241847 35 Atom -0.171039 0.020540 0.150498 36 Atom 0.007918 -0.015676 0.007758 37 Atom -0.163292 0.014019 0.149274 38 Atom 0.105586 0.136787 -0.242373 39 Atom -0.167050 0.016677 0.150373 40 Atom 0.106346 0.137565 -0.243911 41 Atom 0.011657 -0.018375 0.006717 42 Atom -0.153674 0.003030 0.150644 43 Atom 0.099971 0.133789 -0.233760 44 Atom -0.065538 0.117655 -0.052117 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.129003 -0.076220 0.307927 2 Atom -0.025835 -0.002744 -0.027975 3 Atom -0.470043 -0.257613 1.592618 4 Atom -1.256226 -0.116309 0.117090 5 Atom 0.068367 -0.117920 -0.106775 6 Atom -0.029341 0.226890 0.123546 7 Atom -0.086561 -0.110739 -0.047535 8 Atom 0.792868 -0.041674 -0.269070 9 Atom 0.036342 0.234887 0.087507 10 Atom 0.148986 -0.085643 -0.085210 11 Atom 0.025050 -0.022765 -0.016751 12 Atom 0.151500 0.163269 -0.106618 13 Atom 0.125196 -0.102088 0.194120 14 Atom -0.225846 0.067124 0.059632 15 Atom 0.127883 0.003722 0.042543 16 Atom 0.057654 -0.003912 0.028190 17 Atom -0.051095 -0.087441 -0.217538 18 Atom 0.160306 0.167134 -0.118741 19 Atom -0.366330 0.101757 0.139136 20 Atom -0.167029 -0.095004 -0.188697 21 Atom -0.116870 -0.131260 -0.170973 22 Atom -0.130824 -0.117503 -0.252362 23 Atom -0.155678 -0.084488 -0.189372 24 Atom -0.148245 -0.124785 -0.218744 25 Atom -0.075461 0.211280 0.122237 26 Atom 0.114594 -0.091926 0.224329 27 Atom 0.025211 0.007479 -0.018287 28 Atom -0.080301 0.212652 0.126505 29 Atom 0.112450 -0.091655 0.227464 30 Atom -0.008426 -0.035229 -0.004568 31 Atom -0.018140 -0.012287 0.013178 32 Atom -0.025440 0.002550 0.039113 33 Atom -0.025786 0.139898 0.083078 34 Atom -0.033349 0.139345 0.077279 35 Atom 0.203618 0.042521 -0.031353 36 Atom -0.006313 -0.014516 0.005400 37 Atom 0.205537 0.044761 -0.033189 38 Atom -0.031783 0.138368 0.073785 39 Atom 0.205780 0.044162 -0.032087 40 Atom -0.030979 0.138519 0.075715 41 Atom -0.006447 -0.000275 0.006192 42 Atom 0.213942 0.055703 -0.037849 43 Atom -0.035703 0.154313 0.085660 44 Atom -0.091656 -0.219518 -0.086300 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.4754 2.283 0.815 0.762 0.7858 0.5860 -0.1980 6 N(14) Bbb -0.3681 1.768 0.631 0.590 -0.5927 0.8049 0.0302 Bcc 0.8435 -4.051 -1.446 -1.351 0.1771 0.0936 0.9797 Baa -0.4993 2.398 0.856 0.800 0.7884 -0.6080 -0.0937 9 N(14) Bbb -0.4554 2.187 0.780 0.730 0.5921 0.7913 -0.1527 Bcc 0.9547 -4.585 -1.636 -1.529 0.1670 0.0649 0.9838 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Tue May 7 10:12:35 2024, MaxMem= 2147483648 cpu: 1.4 elap: 0.2 FitSet: NAtFit= 44 NAtPot= 44 NAtFrz= 0 MDM= 48 TotChg= 0.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 8 1.40 4 8 1.40 5 6 1.50 6 7 1.50 7 6 1.50 8 8 1.40 9 7 1.50 10 6 1.50 11 6 1.50 12 1 1.20 13 1 1.20 14 1 1.20 15 1 1.20 16 1 1.20 17 6 1.50 18 1 1.20 19 1 1.20 20 6 1.50 21 6 1.50 22 6 1.50 23 6 1.50 24 6 1.50 25 1 1.20 26 1 1.20 27 6 1.50 28 1 1.20 29 1 1.20 30 6 1.50 31 6 1.50 32 1 1.20 33 1 1.20 34 1 1.20 35 1 1.20 36 6 1.50 37 1 1.20 38 1 1.20 39 1 1.20 40 1 1.20 41 6 1.50 42 1 1.20 43 1 1.20 44 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 -4.789319 -0.967246 0.538659 Atomic Center 2 is at -5.346506 -1.532748 -0.758729 Atomic Center 3 is at -4.243353 -1.964367 1.351142 Atomic Center 4 is at -0.837410 2.643680 -0.503664 Atomic Center 5 is at -1.639215 1.791423 -0.261948 Atomic Center 6 is at -2.965960 2.136788 -0.045500 Atomic Center 7 is at -4.029193 1.318179 0.213780 Atomic Center 8 is at -5.144021 1.737438 0.346779 Atomic Center 9 is at -3.708901 -0.013936 0.292523 Atomic Center 10 is at -2.417852 -0.451420 0.088524 Atomic Center 11 is at -1.377790 0.348226 -0.166676 Atomic Center 12 is at -5.553406 -0.419737 1.065626 Atomic Center 13 is at -5.746286 -0.735198 -1.373055 Atomic Center 14 is at -6.151502 -2.231468 -0.548974 Atomic Center 15 is at -3.181943 3.109597 -0.106346 Atomic Center 16 is at -2.299029 -1.511782 0.162297 Atomic Center 17 is at -0.000482 -0.187725 -0.331315 Atomic Center 18 is at -4.574087 -2.056414 -1.311534 Atomic Center 19 is at -4.910768 -2.604175 1.558127 Atomic Center 20 is at 0.488325 -1.158690 0.537936 Atomic Center 21 is at 1.749371 -1.700715 0.364826 Atomic Center 22 is at 2.575905 -1.281259 -0.670896 Atomic Center 23 is at 2.088706 -0.302925 -1.529680 Atomic Center 24 is at 0.825765 0.238478 -1.366117 Atomic Center 25 is at -0.115248 -1.485114 1.366514 Atomic Center 26 is at 2.094944 -2.454398 1.051741 Atomic Center 27 is at 3.963132 -1.866583 -0.839931 Atomic Center 28 is at 2.703146 0.042947 -2.342640 Atomic Center 29 is at 0.484898 0.998698 -2.042034 Atomic Center 30 is at 4.998052 -1.351594 0.175027 Atomic Center 31 is at 5.329284 0.135333 0.038399 Atomic Center 32 is at 3.901524 -2.948039 -0.750765 Atomic Center 33 is at 4.319341 -1.662437 -1.845748 Atomic Center 34 is at 4.641577 -1.551953 1.182944 Atomic Center 35 is at 5.910123 -1.932223 0.052075 Atomic Center 36 is at 6.385439 0.605008 1.040874 Atomic Center 37 is at 4.426346 0.725701 0.166906 Atomic Center 38 is at 5.683496 0.332197 -0.972835 Atomic Center 39 is at 7.292240 0.016907 0.914167 Atomic Center 40 is at 6.033520 0.408869 2.051525 Atomic Center 41 is at 6.720583 2.089564 0.901407 Atomic Center 42 is at 5.839852 2.705982 1.056393 Atomic Center 43 is at 7.108721 2.312425 -0.088582 Atomic Center 44 is at 7.469617 2.393814 1.626143 ESP Fit Center 45 is at -4.387502 -0.271278 2.478806 ESP Fit Center 46 is at -6.451748 -1.967497 1.342294 ESP Fit Center 47 is at -7.041854 -1.114882 0.407968 ESP Fit Center 48 is at -7.008935 -0.532498 0.044906 ESP Fit Center 49 is at -7.185093 -0.913256 0.044906 ESP Fit Center 50 is at -4.827462 -3.402176 0.044906 ESP Fit Center 51 is at -7.147353 -0.533196 -0.349040 ESP Fit Center 52 is at -7.311698 -0.916165 -0.349040 ESP Fit Center 53 is at -5.034618 -3.568646 -0.349040 ESP Fit Center 54 is at -4.631179 -3.464188 -0.349040 ESP Fit Center 55 is at -7.406155 -1.123058 -0.758729 ESP Fit Center 56 is at -4.039542 -0.374879 -1.925427 ESP Fit Center 57 is at -4.097308 -0.729937 -2.243654 ESP Fit Center 58 is at -6.771280 -1.951099 -2.243654 ESP Fit Center 59 is at -6.595704 -2.335558 -2.243654 ESP Fit Center 60 is at -6.318925 -2.654979 -2.243654 ESP Fit Center 61 is at -5.963366 -2.883482 -2.243654 ESP Fit Center 62 is at -4.484306 -0.746749 -2.504816 ESP Fit Center 63 is at -6.493338 -1.747128 -2.504816 ESP Fit Center 64 is at -6.338452 -2.146935 -2.504816 ESP Fit Center 65 is at -6.049598 -2.463793 -2.504816 ESP Fit Center 66 is at -5.665788 -2.654907 -2.504816 ESP Fit Center 67 is at -6.042475 -1.934565 -2.698876 ESP Fit Center 68 is at -5.748324 -2.228716 -2.698876 ESP Fit Center 69 is at -5.551351 -1.887549 -2.818378 ESP Fit Center 70 is at -5.346506 -1.532748 -2.858729 ESP Fit Center 71 is at -4.243353 -1.964367 3.311142 ESP Fit Center 72 is at -3.835846 -1.964367 3.268311 ESP Fit Center 73 is at -4.039599 -1.611456 3.268311 ESP Fit Center 74 is at -4.447106 -1.611456 3.268311 ESP Fit Center 75 is at -4.650860 -1.964367 3.268311 ESP Fit Center 76 is at -4.447106 -2.317279 3.268311 ESP Fit Center 77 is at -4.039599 -2.317279 3.268311 ESP Fit Center 78 is at -3.446149 -1.964367 3.141691 ESP Fit Center 79 is at -3.552954 -1.565765 3.141691 ESP Fit Center 80 is at -3.844751 -1.273968 3.141691 ESP Fit Center 81 is at -4.243353 -1.167163 3.141691 ESP Fit Center 82 is at -4.641955 -1.273968 3.141691 ESP Fit Center 83 is at -4.933752 -1.565765 3.141691 ESP Fit Center 84 is at -5.040557 -1.964367 3.141691 ESP Fit Center 85 is at -4.243353 -2.761571 3.141691 ESP Fit Center 86 is at -3.844751 -2.654766 3.141691 ESP Fit Center 87 is at -3.552954 -2.362969 3.141691 ESP Fit Center 88 is at -3.091294 -1.964367 2.936815 ESP Fit Center 89 is at -3.169090 -1.548195 2.936815 ESP Fit Center 90 is at -3.391971 -1.188230 2.936815 ESP Fit Center 91 is at -3.729836 -0.933086 2.936815 ESP Fit Center 92 is at -4.137054 -0.817223 2.936815 ESP Fit Center 93 is at -4.558629 -0.856287 2.936815 ESP Fit Center 94 is at -4.937624 -1.045004 2.936815 ESP Fit Center 95 is at -5.222853 -1.357886 2.936815 ESP Fit Center 96 is at -5.375796 -1.752677 2.936815 ESP Fit Center 97 is at -3.729836 -2.995648 2.936815 ESP Fit Center 98 is at -3.391971 -2.740504 2.936815 ESP Fit Center 99 is at -3.169090 -2.380539 2.936815 ESP Fit Center 100 is at -2.786789 -1.964367 2.662638 ESP Fit Center 101 is at -2.845790 -1.554006 2.662638 ESP Fit Center 102 is at -3.018013 -1.176889 2.662638 ESP Fit Center 103 is at -3.289506 -0.863570 2.662638 ESP Fit Center 104 is at -3.638274 -0.639430 2.662638 ESP Fit Center 105 is at -4.036062 -0.522629 2.662638 ESP Fit Center 106 is at -4.450644 -0.522629 2.662638 ESP Fit Center 107 is at -4.848431 -0.639430 2.662638 ESP Fit Center 108 is at -5.197199 -0.863570 2.662638 ESP Fit Center 109 is at -5.468692 -1.176889 2.662638 ESP Fit Center 110 is at -5.640916 -1.554006 2.662638 ESP Fit Center 111 is at -3.638274 -3.289304 2.662638 ESP Fit Center 112 is at -3.289506 -3.065165 2.662638 ESP Fit Center 113 is at -3.018013 -2.751845 2.662638 ESP Fit Center 114 is at -2.845790 -2.374729 2.662638 ESP Fit Center 115 is at -2.545943 -1.964367 2.331142 ESP Fit Center 116 is at -2.599270 -1.542239 2.331142 ESP Fit Center 117 is at -2.755901 -1.146634 2.331142 ESP Fit Center 118 is at -3.005994 -0.802410 2.331142 ESP Fit Center 119 is at -3.333835 -0.531197 2.331142 ESP Fit Center 120 is at -3.718824 -3.578700 2.331142 ESP Fit Center 121 is at -3.333835 -3.397538 2.331142 ESP Fit Center 122 is at -3.005994 -3.126324 2.331142 ESP Fit Center 123 is at -2.755901 -2.782101 2.331142 ESP Fit Center 124 is at -2.599270 -2.386496 2.331142 ESP Fit Center 125 is at -2.379282 -1.964367 1.956815 ESP Fit Center 126 is at -2.426018 -1.549572 1.956815 ESP Fit Center 127 is at -3.434563 -3.643837 1.956815 ESP Fit Center 128 is at -3.081124 -3.421756 1.956815 ESP Fit Center 129 is at -2.785964 -3.126596 1.956815 ESP Fit Center 130 is at -2.563883 -2.773157 1.956815 ESP Fit Center 131 is at -2.426018 -2.379162 1.956815 ESP Fit Center 132 is at -3.721870 -3.842579 1.556018 ESP Fit Center 133 is at -3.330302 -3.686564 1.556018 ESP Fit Center 134 is at -2.981427 -3.450021 1.556018 ESP Fit Center 135 is at -2.691558 -3.144011 1.556018 ESP Fit Center 136 is at -2.474250 -2.782841 1.556018 ESP Fit Center 137 is at -3.721870 -3.842579 1.146266 ESP Fit Center 138 is at -3.330302 -3.686564 1.146266 ESP Fit Center 139 is at -2.981427 -3.450021 1.146266 ESP Fit Center 140 is at -2.691558 -3.144011 1.146266 ESP Fit Center 141 is at -3.828558 -3.781702 0.745469 ESP Fit Center 142 is at -3.434563 -3.643837 0.745469 ESP Fit Center 143 is at -3.081124 -3.421756 0.745469 ESP Fit Center 144 is at -2.785964 -3.126596 0.745469 ESP Fit Center 145 is at -4.136772 -3.658428 0.371142 ESP Fit Center 146 is at -3.718824 -3.578700 0.371142 ESP Fit Center 147 is at -3.333835 -3.397538 0.371142 ESP Fit Center 148 is at -3.005994 -3.126324 0.371142 ESP Fit Center 149 is at -4.450644 -3.406105 0.039646 ESP Fit Center 150 is at -4.036062 -3.406105 0.039646 ESP Fit Center 151 is at -3.638274 -3.289304 0.039646 ESP Fit Center 152 is at -3.289506 -3.065165 0.039646 ESP Fit Center 153 is at -3.391971 -2.740504 -0.234531 ESP Fit Center 154 is at -0.429904 2.643680 1.413506 ESP Fit Center 155 is at -0.633657 2.996592 1.413506 ESP Fit Center 156 is at -1.041164 2.996592 1.413506 ESP Fit Center 157 is at -0.040207 2.643680 1.286885 ESP Fit Center 158 is at -0.147012 3.042282 1.286885 ESP Fit Center 159 is at -0.438809 3.334079 1.286885 ESP Fit Center 160 is at -0.837410 3.440884 1.286885 ESP Fit Center 161 is at -1.236012 3.334079 1.286885 ESP Fit Center 162 is at -0.147012 2.245078 1.286885 ESP Fit Center 163 is at 0.314649 2.643680 1.082010 ESP Fit Center 164 is at 0.236853 3.059852 1.082010 ESP Fit Center 165 is at 0.013971 3.419817 1.082010 ESP Fit Center 166 is at -0.323894 3.674961 1.082010 ESP Fit Center 167 is at -0.731112 3.790825 1.082010 ESP Fit Center 168 is at -1.152686 3.751760 1.082010 ESP Fit Center 169 is at -1.531681 3.563043 1.082010 ESP Fit Center 170 is at 0.013971 1.867543 1.082010 ESP Fit Center 171 is at 0.236853 2.227509 1.082010 ESP Fit Center 172 is at 0.619153 2.643680 0.807832 ESP Fit Center 173 is at 0.560152 3.054042 0.807832 ESP Fit Center 174 is at 0.387929 3.431158 0.807832 ESP Fit Center 175 is at 0.116436 3.744478 0.807832 ESP Fit Center 176 is at -0.232332 3.968617 0.807832 ESP Fit Center 177 is at -0.630120 4.085418 0.807832 ESP Fit Center 178 is at -1.044701 4.085418 0.807832 ESP Fit Center 179 is at -1.442489 3.968617 0.807832 ESP Fit Center 180 is at -1.791257 3.744478 0.807832 ESP Fit Center 181 is at 0.387929 1.856202 0.807832 ESP Fit Center 182 is at 0.560152 2.233319 0.807832 ESP Fit Center 183 is at 0.859999 2.643680 0.476336 ESP Fit Center 184 is at 0.806672 3.065809 0.476336 ESP Fit Center 185 is at 0.650041 3.461414 0.476336 ESP Fit Center 186 is at 0.399948 3.805637 0.476336 ESP Fit Center 187 is at 0.072107 4.076851 0.476336 ESP Fit Center 188 is at -0.312882 4.258013 0.476336 ESP Fit Center 189 is at -0.730829 4.337741 0.476336 ESP Fit Center 190 is at -1.155473 4.311024 0.476336 ESP Fit Center 191 is at -1.560132 4.179543 0.476336 ESP Fit Center 192 is at 0.650041 1.825947 0.476336 ESP Fit Center 193 is at 0.806672 2.221552 0.476336 ESP Fit Center 194 is at 1.026660 2.643680 0.102010 ESP Fit Center 195 is at 0.979924 3.058475 0.102010 ESP Fit Center 196 is at 0.842059 3.452470 0.102010 ESP Fit Center 197 is at 0.619979 3.805909 0.102010 ESP Fit Center 198 is at 0.324819 4.101070 0.102010 ESP Fit Center 199 is at -0.028620 4.323150 0.102010 ESP Fit Center 200 is at -0.422616 4.461015 0.102010 ESP Fit Center 201 is at -0.837410 4.507751 0.102010 ESP Fit Center 202 is at -1.252205 4.461015 0.102010 ESP Fit Center 203 is at -1.646200 4.323150 0.102010 ESP Fit Center 204 is at 0.842059 1.834890 0.102010 ESP Fit Center 205 is at 0.979924 2.228886 0.102010 ESP Fit Center 206 is at 1.111852 2.643680 -0.298788 ESP Fit Center 207 is at 1.066280 3.062714 -0.298788 ESP Fit Center 208 is at 0.931693 3.462155 -0.298788 ESP Fit Center 209 is at 0.714384 3.823324 -0.298788 ESP Fit Center 210 is at 0.424516 4.129335 -0.298788 ESP Fit Center 211 is at 0.075641 4.365878 -0.298788 ESP Fit Center 212 is at -0.315927 4.521893 -0.298788 ESP Fit Center 213 is at -0.731880 4.590084 -0.298788 ESP Fit Center 214 is at -1.152766 4.567265 -0.298788 ESP Fit Center 215 is at -1.558907 4.454500 -0.298788 ESP Fit Center 216 is at -1.931312 4.257064 -0.298788 ESP Fit Center 217 is at 1.066280 2.224646 -0.298788 ESP Fit Center 218 is at 1.111852 2.643680 -0.708539 ESP Fit Center 219 is at 1.066280 3.062714 -0.708539 ESP Fit Center 220 is at 0.931693 3.462155 -0.708539 ESP Fit Center 221 is at 0.714384 3.823324 -0.708539 ESP Fit Center 222 is at 0.424516 4.129335 -0.708539 ESP Fit Center 223 is at 0.075641 4.365878 -0.708539 ESP Fit Center 224 is at -0.315927 4.521893 -0.708539 ESP Fit Center 225 is at -0.731880 4.590084 -0.708539 ESP Fit Center 226 is at -1.152766 4.567265 -0.708539 ESP Fit Center 227 is at -1.558907 4.454500 -0.708539 ESP Fit Center 228 is at -1.931312 4.257064 -0.708539 ESP Fit Center 229 is at 1.066280 2.224646 -0.708539 ESP Fit Center 230 is at 1.026660 2.643680 -1.109337 ESP Fit Center 231 is at 0.979924 3.058475 -1.109337 ESP Fit Center 232 is at 0.842059 3.452470 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ESP Fit Center 1046 is at -4.802042 -4.055030 2.398127 ESP Fit Center 1047 is at -4.379225 -3.958525 2.398127 ESP Fit Center 1048 is at -4.003639 -3.741680 2.398127 ESP Fit Center 1049 is at -6.316116 -1.792798 1.992943 ESP Fit Center 1050 is at -6.478230 -2.184175 1.992943 ESP Fit Center 1051 is at -6.533524 -2.604175 1.992943 ESP Fit Center 1052 is at -6.478230 -3.024175 1.992943 ESP Fit Center 1053 is at -6.316116 -3.415553 1.992943 ESP Fit Center 1054 is at -6.058230 -3.751637 1.992943 ESP Fit Center 1055 is at -5.722146 -4.009523 1.992943 ESP Fit Center 1056 is at -5.330768 -4.171637 1.992943 ESP Fit Center 1057 is at -4.910768 -4.226931 1.992943 ESP Fit Center 1058 is at -4.490768 -4.171637 1.992943 ESP Fit Center 1059 is at -4.099391 -4.009523 1.992943 ESP Fit Center 1060 is at -6.472793 -1.985726 1.558127 ESP Fit Center 1061 is at -6.577521 -2.393616 1.558127 ESP Fit Center 1062 is at -6.577521 -2.814735 1.558127 ESP Fit Center 1063 is at -6.472793 -3.222625 1.558127 ESP Fit Center 1064 is at -6.269917 -3.591655 1.558127 ESP Fit Center 1065 is at -5.981641 -3.898638 1.558127 ESP Fit Center 1066 is at -5.626078 -4.124285 1.558127 ESP Fit Center 1067 is at -5.225569 -4.254418 1.558127 ESP Fit Center 1068 is at -4.805280 -4.280860 1.558127 ESP Fit Center 1069 is at -4.391620 -4.201950 1.558127 ESP Fit Center 1070 is at -4.010579 -4.022646 1.558127 ESP Fit Center 1071 is at -6.478230 -2.184175 1.123311 ESP Fit Center 1072 is at -6.533524 -2.604175 1.123311 ESP Fit Center 1073 is at -6.478230 -3.024175 1.123311 ESP Fit Center 1074 is at -6.316116 -3.415553 1.123311 ESP Fit Center 1075 is at -6.058230 -3.751637 1.123311 ESP Fit Center 1076 is at -5.722146 -4.009523 1.123311 ESP Fit Center 1077 is at -5.330768 -4.171637 1.123311 ESP Fit Center 1078 is at -4.910768 -4.226931 1.123311 ESP Fit Center 1079 is at -4.490768 -4.171637 1.123311 ESP Fit Center 1080 is at -4.099391 -4.009523 1.123311 ESP Fit Center 1081 is at -5.977302 -3.593774 0.718127 ESP Fit Center 1082 is at -5.638230 -3.864175 0.718127 ESP Fit Center 1083 is at -5.234519 -4.022620 0.718127 ESP Fit Center 1084 is at -4.802042 -4.055030 0.718127 ESP Fit Center 1085 is at -4.379225 -3.958525 0.718127 ESP Fit Center 1086 is at -5.626662 -3.552172 0.370187 ESP Fit Center 1087 is at -5.235863 -3.746766 0.370187 ESP Fit Center 1088 is at -4.801159 -3.787047 0.370187 ESP Fit Center 1089 is at -4.381258 -3.667575 0.370187 ESP Fit Center 1090 is at -4.910768 -3.444175 0.103204 ESP Fit Center 1091 is at 1.291960 -1.158690 2.478083 ESP Fit Center 1092 is at 1.184294 -0.756873 2.478083 ESP Fit Center 1093 is at 0.890143 -0.462722 2.478083 ESP Fit Center 1094 is at 0.488325 -0.355055 2.478083 ESP Fit Center 1095 is at 1.184294 -1.560508 2.478083 ESP Fit Center 1096 is at 1.576238 -0.737231 2.284022 ESP Fit Center 1097 is at 1.350525 -0.372691 2.284022 ESP Fit Center 1098 is at 1.008367 -0.114306 2.284022 ESP Fit Center 1099 is at 0.595974 0.003030 2.284022 ESP Fit Center 1100 is at 0.169043 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is at 0.384006 -3.215696 0.947626 ESP Fit Center 1120 is at -0.678372 -2.904776 0.537936 ESP Fit Center 1121 is at -0.315310 -3.098837 0.537936 ESP Fit Center 1122 is at 0.078635 -3.218339 0.537936 ESP Fit Center 1123 is at -0.772398 -2.787411 0.128247 ESP Fit Center 1124 is at -0.418732 -3.007853 0.128247 ESP Fit Center 1125 is at -0.027931 -3.152589 0.128247 ESP Fit Center 1126 is at -0.920213 -2.492928 -0.265699 ESP Fit Center 1127 is at -0.600460 -2.764529 -0.265699 ESP Fit Center 1128 is at -0.229797 -2.961042 -0.265699 ESP Fit Center 1129 is at 0.174444 -3.073279 -0.265699 ESP Fit Center 1130 is at -0.818639 -2.316560 -0.628761 ESP Fit Center 1131 is at -0.503565 -2.595691 -0.628761 ESP Fit Center 1132 is at -0.130846 -2.791309 -0.628761 ESP Fit Center 1133 is at 0.277858 -2.892046 -0.628761 ESP Fit Center 1134 is at -0.484093 -2.280921 -0.946988 ESP Fit Center 1135 is at -0.128535 -2.509425 -0.946988 ESP Fit Center 1136 is at 0.276998 -2.628500 -0.946988 ESP Fit Center 1137 is 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1.531524 ESP Fit Center 1156 is at 2.368542 -0.068096 1.531524 ESP Fit Center 1157 is at 1.959838 0.032640 1.531524 ESP Fit Center 1158 is at 3.293908 -0.526588 1.168461 ESP Fit Center 1159 is at 3.005395 -0.222009 1.168461 ESP Fit Center 1160 is at 2.658152 0.013428 1.168461 ESP Fit Center 1161 is at 2.268415 0.168713 1.168461 ESP Fit Center 1162 is at 2.061259 0.335183 0.774516 ESP Fit Center 1163 is at 0.488647 -3.329436 0.774516 ESP Fit Center 1164 is at 0.842313 -3.549878 0.774516 ESP Fit Center 1165 is at 0.582673 -3.446801 0.364826 ESP Fit Center 1166 is at 0.945736 -3.640862 0.364826 ESP Fit Center 1167 is at 0.488647 -3.329436 -0.044864 ESP Fit Center 1168 is at 0.842313 -3.549878 -0.044864 ESP Fit Center 1169 is at 1.233115 -3.694614 -0.044864 ESP Fit Center 1170 is at 1.645051 -3.757721 -0.044864 ESP Fit Center 1171 is at 2.061259 -3.736613 -0.044864 ESP Fit Center 1172 is at 0.340833 -3.034953 -0.438809 ESP Fit Center 1173 is at 0.660585 -3.306554 -0.438809 ESP Fit Center 1174 is at 1.031248 -3.503067 -0.438809 ESP Fit Center 1175 is at 1.435490 -3.615304 -0.438809 ESP Fit Center 1176 is at 1.854408 -3.638017 -0.438809 ESP Fit Center 1177 is at 2.268415 -3.570144 -0.438809 ESP Fit Center 1178 is at 0.442407 -2.858585 -0.801871 ESP Fit Center 1179 is at 0.757481 -3.137716 -0.801871 ESP Fit Center 1180 is at 1.130200 -3.333334 -0.801871 ESP Fit Center 1181 is at 1.538903 -3.434071 -0.801871 ESP Fit Center 1182 is at 1.959838 -3.434071 -0.801871 ESP Fit Center 1183 is at 0.500173 -2.503526 -1.120098 ESP Fit Center 1184 is at 0.776952 -2.822946 -1.120098 ESP Fit Center 1185 is at 1.132511 -3.051450 -1.120098 ESP Fit Center 1186 is at 1.538044 -3.170525 -1.120098 ESP Fit Center 1187 is at 0.757425 -2.314902 -1.381260 ESP Fit Center 1188 is at 1.046279 -2.631760 -1.381260 ESP Fit Center 1189 is at 3.095947 -0.236874 1.075190 ESP Fit Center 1190 is at 2.787232 0.188551 0.814028 ESP Fit Center 1191 is at 2.786373 0.452097 0.495801 ESP Fit Center 1192 is at 2.365438 0.452097 0.495801 ESP Fit Center 1193 is at 2.059649 -3.275158 -1.080586 ESP Fit Center 1194 is at 0.913477 -2.281509 -1.474531 ESP Fit Center 1195 is at 1.167367 -2.615497 -1.474531 ESP Fit Center 1196 is at 1.487120 -2.887097 -1.474531 ESP Fit Center 1197 is at 1.857783 -3.083610 -1.474531 ESP Fit Center 1198 is at 2.262025 -3.195847 -1.474531 ESP Fit Center 1199 is at 1.029823 -2.092705 -1.837594 ESP Fit Center 1200 is at 1.268941 -2.439128 -1.837594 ESP Fit Center 1201 is at 1.584015 -2.718259 -1.837594 ESP Fit Center 1202 is at 1.956735 -2.913878 -1.837594 ESP Fit Center 1203 is at 2.365438 -3.014614 -1.837594 ESP Fit Center 1204 is at 1.603487 -2.403489 -2.155820 ESP Fit Center 1205 is at 1.959046 -2.631993 -2.155820 ESP Fit Center 1206 is at 2.364579 -2.751068 -2.155820 ESP Fit Center 1207 is at 1.872813 -2.212303 -2.416982 ESP Fit Center 1208 is at 2.256624 -2.403418 -2.416982 ESP Fit Center 1209 is at 2.683555 -2.442979 -2.416982 ESP Fit Center 1210 is at 2.575905 -2.084894 -2.611043 ESP Fit Center 1211 is at 2.088706 0.500711 0.410467 ESP Fit Center 1212 is at 2.608748 0.741460 0.216406 ESP Fit Center 1213 is at 2.196355 0.858796 0.216406 ESP Fit Center 1214 is at 2.705566 1.047810 -0.044756 ESP Fit Center 1215 is at 2.300033 1.166885 -0.044756 ESP Fit Center 1216 is at 2.707877 1.329694 -0.362983 ESP Fit Center 1217 is at 2.299174 1.430431 -0.362983 ESP Fit Center 1218 is at 2.997487 1.411219 -0.726045 ESP Fit Center 1219 is at 2.607751 1.566504 -0.726045 ESP Fit Center 1220 is at 3.178186 1.444985 -1.119991 ESP Fit Center 1221 is at 2.804033 1.628516 -1.119991 ESP Fit Center 1222 is at 2.400594 1.732973 -1.119991 ESP Fit Center 1223 is at 3.255404 1.443162 -1.529680 ESP Fit Center 1224 is at 2.892341 1.637222 -1.529680 ESP Fit Center 1225 is at 2.498396 1.756724 -1.529680 ESP Fit Center 1226 is at 2.400594 1.732973 -1.939370 ESP Fit Center 1227 is at 0.827983 -1.931645 -1.939370 ESP Fit Center 1228 is at 0.680168 -1.637163 -2.333315 ESP Fit Center 1229 is at 0.999921 -1.908763 -2.333315 ESP Fit Center 1230 is at 1.370584 -2.105276 -2.333315 ESP Fit Center 1231 is at 0.781742 -1.460794 -2.696378 ESP Fit Center 1232 is at 1.096816 -1.739925 -2.696378 ESP Fit Center 1233 is at 1.469536 -1.935544 -2.696378 ESP Fit Center 1234 is at 1.878239 -2.036280 -2.696378 ESP Fit Center 1235 is at 2.299174 -2.036280 -2.696378 ESP Fit Center 1236 is at 2.707877 -1.935544 -2.696378 ESP Fit Center 1237 is at 0.839508 -1.105735 -3.014604 ESP Fit Center 1238 is at 1.116288 -1.425155 -3.014604 ESP Fit Center 1239 is at 1.471846 -1.653659 -3.014604 ESP Fit Center 1240 is at 1.877379 -1.772734 -3.014604 ESP Fit Center 1241 is at 2.300033 -1.772734 -3.014604 ESP Fit Center 1242 is at 2.705566 -1.653659 -3.014604 ESP Fit Center 1243 is at 1.096760 -0.917112 -3.275766 ESP Fit Center 1244 is at 1.385614 -1.233969 -3.275766 ESP Fit Center 1245 is at 1.769424 -1.425084 -3.275766 ESP Fit Center 1246 is at 2.196355 -1.464645 -3.275766 ESP Fit Center 1247 is at 1.392738 0.098893 -3.469827 ESP Fit Center 1248 is at 1.285071 -0.302925 -3.469827 ESP Fit Center 1249 is at 1.392738 -0.704742 -3.469827 ESP Fit Center 1250 is at 1.686889 -0.998893 -3.469827 ESP Fit Center 1251 is at 2.088706 -1.106560 -3.469827 ESP Fit Center 1252 is at 1.913678 0.659938 0.379969 ESP Fit Center 1253 is at 1.687965 1.024477 0.379969 ESP Fit Center 1254 is at 1.345807 1.282863 0.379969 ESP Fit Center 1255 is at 2.074963 1.041289 0.118807 ESP Fit Center 1256 is at 1.798183 1.360709 0.118807 ESP Fit Center 1257 is at 1.442625 1.589213 0.118807 ESP Fit Center 1258 is at 1.037092 1.708288 0.118807 ESP Fit Center 1259 is at 2.132729 1.396348 -0.199420 ESP Fit Center 1260 is at 1.817655 1.675479 -0.199420 ESP Fit Center 1261 is at 1.444935 1.871097 -0.199420 ESP Fit Center 1262 is at 1.036232 1.971834 -0.199420 ESP Fit Center 1263 is at 2.081789 1.717185 -0.562482 ESP Fit Center 1264 is at 1.734546 1.952622 -0.562482 ESP Fit Center 1265 is at 1.344809 2.107907 -0.562482 ESP Fit Center 1266 is at 2.244795 1.731297 -0.956427 ESP Fit Center 1267 is at 1.915245 1.986388 -0.956427 ESP Fit Center 1268 is at 1.541092 2.169919 -0.956427 ESP Fit Center 1269 is at 1.137653 2.274376 -0.956427 ESP Fit Center 1270 is at 1.992462 1.984565 -1.366117 ESP Fit Center 1271 is at 1.629400 2.178625 -1.366117 ESP Fit Center 1272 is at 1.915245 1.986388 -1.775807 ESP Fit Center 1273 is at 0.309509 -1.755421 -1.775807 ESP Fit Center 1274 is at 2.081789 1.717185 -2.169752 ESP Fit Center 1275 is at -1.012822 -0.381014 -2.169752 ESP Fit Center 1276 is at -0.582773 -1.095760 -2.169752 ESP Fit Center 1277 is at -0.263021 -1.367360 -2.169752 ESP Fit Center 1278 is at 0.107642 -1.563873 -2.169752 ESP Fit Center 1279 is at 0.511884 -1.676110 -2.169752 ESP Fit Center 1280 is at -0.869583 -0.179387 -2.532815 ESP Fit Center 1281 is at -0.720318 -0.572968 -2.532815 ESP Fit Center 1282 is at -0.481200 -0.919391 -2.532815 ESP Fit Center 1283 is at -0.166125 -1.198522 -2.532815 ESP Fit Center 1284 is at 0.206594 -1.394141 -2.532815 ESP Fit Center 1285 is at 0.615297 -1.494877 -2.532815 ESP Fit Center 1286 is at -0.599010 -0.179873 -2.851041 ESP Fit Center 1287 is at -0.423433 -0.564332 -2.851041 ESP Fit Center 1288 is at -0.146654 -0.883753 -2.851041 ESP Fit Center 1289 is at 0.208905 -1.112256 -2.851041 ESP Fit Center 1290 is at 0.614438 -1.231332 -2.851041 ESP Fit Center 1291 is at -0.166181 -0.375709 -3.112203 ESP Fit Center 1292 is at 0.122672 -0.692566 -3.112203 ESP Fit Center 1293 is at 0.506483 -0.883681 -3.112203 ESP Fit Center 1294 is at 0.129796 -0.163339 -3.306264 ESP Fit Center 1295 is at 0.423947 -0.457490 -3.306264 ESP Fit Center 1296 is at 0.825765 -0.565157 -3.306264 ESP Fit Center 1297 is at 1.235454 0.238478 -3.425766 ESP Fit Center 1298 is at 0.620920 -0.116323 -3.425766 ESP Fit Center 1299 is at 1.030610 -0.116323 -3.425766 ESP Fit Center 1300 is at -0.115248 -1.485114 3.046514 ESP Fit Center 1301 is at 0.319568 -1.485114 2.989269 ESP Fit Center 1302 is at 0.102160 -1.108553 2.989269 ESP Fit Center 1303 is at -0.332656 -1.108553 2.989269 ESP Fit Center 1304 is at -0.550064 -1.485114 2.989269 ESP Fit Center 1305 is at -0.332656 -1.861676 2.989269 ESP Fit Center 1306 is at 0.102160 -1.861676 2.989269 ESP Fit Center 1307 is at 0.724752 -1.485114 2.821436 ESP Fit Center 1308 is at 0.612214 -1.065114 2.821436 ESP Fit Center 1309 is at 0.304752 -0.757653 2.821436 ESP Fit Center 1310 is at -0.115248 -0.645114 2.821436 ESP Fit Center 1311 is at -0.535248 -0.757653 2.821436 ESP Fit Center 1312 is at -0.842709 -1.065114 2.821436 ESP Fit Center 1313 is at -0.955248 -1.485114 2.821436 ESP Fit Center 1314 is at -0.842709 -1.905114 2.821436 ESP Fit Center 1315 is at -0.535248 -2.212576 2.821436 ESP Fit Center 1316 is at -0.115248 -2.325114 2.821436 ESP Fit Center 1317 is at 0.304752 -2.212576 2.821436 ESP Fit Center 1318 is at 0.612214 -1.905114 2.821436 ESP Fit Center 1319 is at 1.072692 -1.485114 2.554453 ESP Fit Center 1320 is at 0.414262 -0.421714 2.554453 ESP Fit Center 1321 is at -0.005639 -0.302242 2.554453 ESP Fit Center 1322 is at -0.440343 -0.342524 2.554453 ESP Fit Center 1323 is at -0.831141 -0.537118 2.554453 ESP Fit Center 1324 is at -1.125254 -0.859745 2.554453 ESP Fit Center 1325 is at -1.282960 -1.266831 2.554453 ESP Fit Center 1326 is at -1.282960 -1.703398 2.554453 ESP Fit Center 1327 is at -1.125254 -2.110484 2.554453 ESP Fit Center 1328 is at -0.831141 -2.433110 2.554453 ESP Fit Center 1329 is at -0.440343 -2.627705 2.554453 ESP Fit Center 1330 is at -0.005639 -2.667986 2.554453 ESP Fit Center 1331 is at 0.414262 -2.548514 2.554453 ESP Fit Center 1332 is at 0.762650 -2.285424 2.554453 ESP Fit Center 1333 is at 0.992473 -1.914247 2.554453 ESP Fit Center 1334 is at -0.438999 -0.066669 2.206514 ESP Fit Center 1335 is at -0.842709 -0.225114 2.206514 ESP Fit Center 1336 is at -1.181782 -0.495515 2.206514 ESP Fit Center 1337 is at -1.426088 -0.853847 2.206514 ESP Fit Center 1338 is at -1.553920 -1.268269 2.206514 ESP Fit Center 1339 is at -1.553920 -1.701959 2.206514 ESP Fit Center 1340 is at -1.426088 -2.116382 2.206514 ESP Fit Center 1341 is at -1.181782 -2.474713 2.206514 ESP Fit Center 1342 is at -0.842709 -2.745114 2.206514 ESP Fit Center 1343 is at -0.438999 -2.903559 2.206514 ESP Fit Center 1344 is at -0.006521 -2.935969 2.206514 ESP Fit Center 1345 is at 0.416295 -2.839464 2.206514 ESP Fit Center 1346 is at 0.791882 -2.622619 2.206514 ESP Fit Center 1347 is at -1.738003 -1.485114 1.801330 ESP Fit Center 1348 is at -1.682709 -1.905114 1.801330 ESP Fit Center 1349 is at -1.520595 -2.296492 1.801330 ESP Fit Center 1350 is at -1.262709 -2.632576 1.801330 ESP Fit Center 1351 is at -0.926625 -2.890462 1.801330 ESP Fit Center 1352 is at -0.535248 -3.052576 1.801330 ESP Fit Center 1353 is at -0.115248 -3.107870 1.801330 ESP Fit Center 1354 is at 0.304752 -3.052576 1.801330 ESP Fit Center 1355 is at -1.474396 -2.472593 1.366514 ESP Fit Center 1356 is at -1.186120 -2.779576 1.366514 ESP Fit Center 1357 is at -0.830557 -3.005224 1.366514 ESP Fit Center 1358 is at -0.430048 -3.135357 1.366514 ESP Fit Center 1359 is at -0.009760 -3.161799 1.366514 ESP Fit Center 1360 is at -1.262709 -2.632576 0.931698 ESP Fit Center 1361 is at -0.926625 -2.890462 0.931698 ESP Fit Center 1362 is at -0.535248 -3.052576 0.931698 ESP Fit Center 1363 is at 2.094944 -2.454398 2.731741 ESP Fit Center 1364 is at 2.529760 -2.454398 2.674497 ESP Fit Center 1365 is at 2.312352 -2.077836 2.674497 ESP Fit Center 1366 is at 1.877536 -2.077836 2.674497 ESP Fit Center 1367 is at 1.660128 -2.454398 2.674497 ESP Fit Center 1368 is at 1.877536 -2.830959 2.674497 ESP Fit Center 1369 is at 2.312352 -2.830959 2.674497 ESP Fit Center 1370 is at 2.934944 -2.454398 2.506664 ESP Fit Center 1371 is at 2.822405 -2.034398 2.506664 ESP Fit Center 1372 is at 2.514944 -1.726936 2.506664 ESP Fit Center 1373 is at 2.094944 -1.614398 2.506664 ESP Fit Center 1374 is at 1.674944 -1.726936 2.506664 ESP Fit Center 1375 is at 1.367483 -2.034398 2.506664 ESP Fit Center 1376 is at 1.254944 -2.454398 2.506664 ESP Fit Center 1377 is at 1.367483 -2.874398 2.506664 ESP Fit Center 1378 is at 1.674944 -3.181859 2.506664 ESP Fit Center 1379 is at 2.094944 -3.294398 2.506664 ESP Fit Center 1380 is at 2.514944 -3.181859 2.506664 ESP Fit Center 1381 is at 2.822405 -2.874398 2.506664 ESP Fit Center 1382 is at 3.282883 -2.454398 2.239681 ESP Fit Center 1383 is at 3.202664 -2.025264 2.239681 ESP Fit Center 1384 is at 2.972842 -1.654088 2.239681 ESP Fit Center 1385 is at 0.927231 -2.672681 2.239681 ESP Fit Center 1386 is at 1.084937 -3.079767 2.239681 ESP Fit Center 1387 is at 1.379050 -3.402394 2.239681 ESP Fit Center 1388 is at 1.769849 -3.596988 2.239681 ESP Fit Center 1389 is at 2.204553 -3.637269 2.239681 ESP Fit Center 1390 is at 2.624454 -3.517797 2.239681 ESP Fit Center 1391 is at 2.972842 -3.254707 2.239681 ESP Fit Center 1392 is at 3.202664 -2.883531 2.239681 ESP Fit Center 1393 is at 0.784104 -3.085665 1.891741 ESP Fit Center 1394 is at 1.028410 -3.443996 1.891741 ESP Fit Center 1395 is at 1.367483 -3.714398 1.891741 ESP Fit Center 1396 is at 1.771193 -3.872842 1.891741 ESP Fit Center 1397 is at 2.203670 -3.905252 1.891741 ESP Fit Center 1398 is at 2.626487 -3.808747 1.891741 ESP Fit Center 1399 is at 3.002073 -3.591902 1.891741 ESP Fit Center 1400 is at 3.297057 -3.273985 1.891741 ESP Fit Center 1401 is at 3.485228 -2.883244 1.891741 ESP Fit Center 1402 is at 0.689596 -3.265775 1.486557 ESP Fit Center 1403 is at 0.947483 -3.601859 1.486557 ESP Fit Center 1404 is at 1.283566 -3.859745 1.486557 ESP Fit Center 1405 is at 1.674944 -4.021859 1.486557 ESP Fit Center 1406 is at 2.094944 -4.077153 1.486557 ESP Fit Center 1407 is at 2.514944 -4.021859 1.486557 ESP Fit Center 1408 is at 2.906322 -3.859745 1.486557 ESP Fit Center 1409 is at 3.242405 -3.601859 1.486557 ESP Fit Center 1410 is at 3.500291 -3.265775 1.486557 ESP Fit Center 1411 is at 0.735795 -3.441877 1.051741 ESP Fit Center 1412 is at 1.024072 -3.748860 1.051741 ESP Fit Center 1413 is at 1.379635 -3.974507 1.051741 ESP Fit Center 1414 is at 1.780143 -4.104640 1.051741 ESP Fit Center 1415 is at 2.200432 -4.131083 1.051741 ESP Fit Center 1416 is at 2.614092 -4.052173 1.051741 ESP Fit Center 1417 is at 2.995133 -3.872869 1.051741 ESP Fit Center 1418 is at 3.319611 -3.604437 1.051741 ESP Fit Center 1419 is at 3.567139 -3.263744 1.051741 ESP Fit Center 1420 is at 1.283566 -3.859745 0.616925 ESP Fit Center 1421 is at 1.674944 -4.021859 0.616925 ESP Fit Center 1422 is at 2.094944 -4.077153 0.616925 ESP Fit Center 1423 is at 2.514944 -4.021859 0.616925 ESP Fit Center 1424 is at 2.906322 -3.859745 0.616925 ESP Fit Center 1425 is at 1.771193 -3.872842 0.211741 ESP Fit Center 1426 is at 2.203670 -3.905252 0.211741 ESP Fit Center 1427 is at 2.626487 -3.808747 0.211741 ESP Fit Center 1428 is at 5.653617 -3.043195 -1.249621 ESP Fit Center 1429 is at 5.507670 -3.040710 -1.643566 ESP Fit Center 1430 is at 5.723962 -2.681230 -1.643566 ESP Fit Center 1431 is at 2.656168 -3.024452 -2.006629 ESP Fit Center 1432 is at 2.713935 -2.669394 -2.324856 ESP Fit Center 1433 is at 2.990714 -2.988814 -2.324856 ESP Fit Center 1434 is at 3.346273 -3.217318 -2.324856 ESP Fit Center 1435 is at 2.971186 -2.480770 -2.586017 ESP Fit Center 1436 is at 3.260040 -2.797628 -2.586017 ESP Fit Center 1437 is at 3.905259 0.862534 -1.502640 ESP Fit Center 1438 is at 3.610275 1.180451 -1.502640 ESP Fit Center 1439 is at 4.270607 0.462947 -1.907824 ESP Fit Center 1440 is at 4.108493 0.854325 -1.907824 ESP Fit Center 1441 is at 3.850607 1.190408 -1.907824 ESP Fit Center 1442 is at 3.514523 1.448294 -1.907824 ESP Fit Center 1443 is at 3.123146 1.610408 -1.907824 ESP Fit Center 1444 is at 4.383146 0.042947 -2.342640 ESP Fit Center 1445 is at 4.330365 0.460746 -2.342640 ESP Fit Center 1446 is at 4.175341 0.852293 -2.342640 ESP Fit Center 1447 is at 3.927813 1.192986 -2.342640 ESP Fit Center 1448 is at 3.603335 1.461418 -2.342640 ESP Fit Center 1449 is at 3.222294 1.640722 -2.342640 ESP Fit Center 1450 is at 2.808634 1.719632 -2.342640 ESP Fit Center 1451 is at 2.388345 1.693190 -2.342640 ESP Fit Center 1452 is at 4.325901 0.042947 -2.777456 ESP Fit Center 1453 is at 4.270607 0.462947 -2.777456 ESP Fit Center 1454 is at 4.108493 0.854325 -2.777456 ESP Fit Center 1455 is at 3.850607 1.190408 -2.777456 ESP Fit Center 1456 is at 3.514523 1.448294 -2.777456 ESP Fit Center 1457 is at 3.123146 1.610408 -2.777456 ESP Fit Center 1458 is at 2.703146 1.665702 -2.777456 ESP Fit Center 1459 is at 2.283146 1.610408 -2.777456 ESP Fit Center 1460 is at 4.158068 0.042947 -3.182640 ESP Fit Center 1461 is at 4.093430 0.471793 -3.182640 ESP Fit Center 1462 is at 3.905259 0.862534 -3.182640 ESP Fit Center 1463 is at 3.610275 1.180451 -3.182640 ESP Fit Center 1464 is at 3.234689 1.397296 -3.182640 ESP Fit Center 1465 is at 2.811872 1.493801 -3.182640 ESP Fit Center 1466 is at 2.379395 1.461392 -3.182640 ESP Fit Center 1467 is at 1.975684 1.302947 -3.182640 ESP Fit Center 1468 is at 2.811872 -1.407907 -3.182640 ESP Fit Center 1469 is at 3.234689 -1.311402 -3.182640 ESP Fit Center 1470 is at 4.093430 -0.385899 -3.182640 ESP Fit Center 1471 is at 3.891085 0.042947 -3.530580 ESP Fit Center 1472 is at 3.810866 0.472080 -3.530580 ESP Fit Center 1473 is at 3.581044 0.843257 -3.530580 ESP Fit Center 1474 is at 3.232656 1.106347 -3.530580 ESP Fit Center 1475 is at 2.812755 1.225819 -3.530580 ESP Fit Center 1476 is at 2.378051 1.185537 -3.530580 ESP Fit Center 1477 is at 1.987252 0.990943 -3.530580 ESP Fit Center 1478 is at 1.693139 0.668316 -3.530580 ESP Fit Center 1479 is at 1.535433 0.261230 -3.530580 ESP Fit Center 1480 is at 2.378051 -1.099644 -3.530580 ESP Fit Center 1481 is at 2.812755 -1.139925 -3.530580 ESP Fit Center 1482 is at 3.232656 -1.020453 -3.530580 ESP Fit Center 1483 is at 3.581044 -0.757363 -3.530580 ESP Fit Center 1484 is at 3.810866 -0.386186 -3.530580 ESP Fit Center 1485 is at 3.543146 0.042947 -3.797563 ESP Fit Center 1486 is at 3.430607 0.462947 -3.797563 ESP Fit Center 1487 is at 3.123146 0.770408 -3.797563 ESP Fit Center 1488 is at 2.703146 0.882947 -3.797563 ESP Fit Center 1489 is at 2.283146 0.770408 -3.797563 ESP Fit Center 1490 is at 1.975684 0.462947 -3.797563 ESP Fit Center 1491 is at 1.863146 0.042947 -3.797563 ESP Fit Center 1492 is at 1.975684 -0.377053 -3.797563 ESP Fit Center 1493 is at 2.283146 -0.684514 -3.797563 ESP Fit Center 1494 is at 2.703146 -0.797053 -3.797563 ESP Fit Center 1495 is at 3.123146 -0.684514 -3.797563 ESP Fit Center 1496 is at 3.430607 -0.377053 -3.797563 ESP Fit Center 1497 is at 3.137962 0.042947 -3.965396 ESP Fit Center 1498 is at 2.920554 0.419509 -3.965396 ESP Fit Center 1499 is at 2.485738 0.419509 -3.965396 ESP Fit Center 1500 is at 2.268330 0.042947 -3.965396 ESP Fit Center 1501 is at 2.485738 -0.333615 -3.965396 ESP Fit Center 1502 is at 2.920554 -0.333615 -3.965396 ESP Fit Center 1503 is at 2.703146 0.042947 -4.022640 ESP Fit Center 1504 is at 1.016441 2.353047 -1.202034 ESP Fit Center 1505 is at 1.296276 2.404045 -1.607218 ESP Fit Center 1506 is at 0.904898 2.566159 -1.607218 ESP Fit Center 1507 is at 1.709566 2.148737 -2.042034 ESP Fit Center 1508 is at 1.385087 2.417169 -2.042034 ESP Fit Center 1509 is at 1.004047 2.596473 -2.042034 ESP Fit Center 1510 is at 0.590387 2.675383 -2.042034 ESP Fit Center 1511 is at 1.890246 1.810075 -2.476850 ESP Fit Center 1512 is at 1.632360 2.146159 -2.476850 ESP Fit Center 1513 is at 1.296276 2.404045 -2.476850 ESP Fit Center 1514 is at 0.904898 2.566159 -2.476850 ESP Fit Center 1515 is at 0.484898 2.621453 -2.476850 ESP Fit Center 1516 is at 0.064898 2.566159 -2.476850 ESP Fit Center 1517 is at -0.326479 2.404045 -2.476850 ESP Fit Center 1518 is at -0.662563 2.146159 -2.476850 ESP Fit Center 1519 is at -0.920449 1.810075 -2.476850 ESP Fit Center 1520 is at -1.082563 1.418698 -2.476850 ESP Fit Center 1521 is at -1.137857 0.998698 -2.476850 ESP Fit Center 1522 is at -1.082563 0.578698 -2.476850 ESP Fit Center 1523 is at 1.875183 1.427544 -2.882034 ESP Fit Center 1524 is at 1.687012 1.818285 -2.882034 ESP Fit Center 1525 is at 1.392028 2.136202 -2.882034 ESP Fit Center 1526 is at 1.016441 2.353047 -2.882034 ESP Fit Center 1527 is at 0.593625 2.449552 -2.882034 ESP Fit Center 1528 is at 0.161148 2.417142 -2.882034 ESP Fit Center 1529 is at -0.242563 2.258698 -2.882034 ESP Fit Center 1530 is at -0.581635 1.988296 -2.882034 ESP Fit Center 1531 is at -0.825942 1.629965 -2.882034 ESP Fit Center 1532 is at -0.953774 1.215543 -2.882034 ESP Fit Center 1533 is at -0.953774 0.781853 -2.882034 ESP Fit Center 1534 is at -0.825942 0.367430 -2.882034 ESP Fit Center 1535 is at 1.592619 1.427831 -3.229973 ESP Fit Center 1536 is at 1.362796 1.799007 -3.229973 ESP Fit Center 1537 is at 1.014409 2.062097 -3.229973 ESP Fit Center 1538 is at 0.594508 2.181569 -3.229973 ESP Fit Center 1539 is at 0.159803 2.141288 -3.229973 ESP Fit Center 1540 is at -0.230995 1.946694 -3.229973 ESP Fit Center 1541 is at -0.525108 1.624067 -3.229973 ESP Fit Center 1542 is at -0.682814 1.216981 -3.229973 ESP Fit Center 1543 is at -0.682814 0.780414 -3.229973 ESP Fit Center 1544 is at -0.525108 0.373328 -3.229973 ESP Fit Center 1545 is at -0.230995 0.050702 -3.229973 ESP Fit Center 1546 is at 1.324898 0.998698 -3.496957 ESP Fit Center 1547 is at 1.212360 1.418698 -3.496957 ESP Fit Center 1548 is at 0.904898 1.726159 -3.496957 ESP Fit Center 1549 is at 0.484898 1.838698 -3.496957 ESP Fit Center 1550 is at 0.064898 1.726159 -3.496957 ESP Fit Center 1551 is at -0.242563 1.418698 -3.496957 ESP Fit Center 1552 is at -0.355102 0.998698 -3.496957 ESP Fit Center 1553 is at -0.242563 0.578698 -3.496957 ESP Fit Center 1554 is at 0.064898 0.271236 -3.496957 ESP Fit Center 1555 is at 0.484898 0.158698 -3.496957 ESP Fit Center 1556 is at 0.904898 0.271236 -3.496957 ESP Fit Center 1557 is at 1.212360 0.578698 -3.496957 ESP Fit Center 1558 is at 0.919714 0.998698 -3.664789 ESP Fit Center 1559 is at 0.702306 1.375259 -3.664789 ESP Fit Center 1560 is at 0.267490 1.375259 -3.664789 ESP Fit Center 1561 is at 0.050082 0.998698 -3.664789 ESP Fit Center 1562 is at 0.267490 0.622136 -3.664789 ESP Fit Center 1563 is at 0.702306 0.622136 -3.664789 ESP Fit Center 1564 is at 0.484898 0.998698 -3.722034 ESP Fit Center 1565 is at 6.164749 -1.351594 1.921114 ESP Fit Center 1566 is at 5.970470 -2.473825 1.659952 ESP Fit Center 1567 is at 6.422826 -1.769946 1.659952 ESP Fit Center 1568 is at 5.617223 -2.984213 1.341725 ESP Fit Center 1569 is at 4.684171 -3.266183 0.978663 ESP Fit Center 1570 is at 5.103089 -3.288896 0.978663 ESP Fit Center 1571 is at 4.893732 -3.408600 0.584717 ESP Fit Center 1572 is at 6.164749 -1.351594 -1.571059 ESP Fit Center 1573 is at 5.434321 2.072634 -0.765236 ESP Fit Center 1574 is at 5.015403 2.049921 -0.765236 ESP Fit Center 1575 is at 7.090114 -0.679314 -0.765236 ESP Fit Center 1576 is at 4.710113 1.767952 -1.128298 ESP Fit Center 1577 is at 4.356865 1.257564 -1.446525 ESP Fit Center 1578 is at 3.684116 -3.324601 0.871990 ESP Fit Center 1579 is at 4.118932 -3.324601 0.871990 ESP Fit Center 1580 is at 3.481524 -3.675501 0.704157 ESP Fit Center 1581 is at 3.901524 -3.788039 0.704157 ESP Fit Center 1582 is at 4.321524 -3.675501 0.704157 ESP Fit Center 1583 is at 4.628985 -3.368039 0.704157 ESP Fit Center 1584 is at 3.185630 -3.896035 0.437174 ESP Fit Center 1585 is at 3.576429 -4.090630 0.437174 ESP Fit Center 1586 is at 4.011133 -4.130911 0.437174 ESP Fit Center 1587 is at 4.431034 -4.011439 0.437174 ESP Fit Center 1588 is at 4.779422 -3.748349 0.437174 ESP Fit Center 1589 is at 2.834990 -3.937638 0.089235 ESP Fit Center 1590 is at 3.174062 -4.208039 0.089235 ESP Fit Center 1591 is at 3.577773 -4.366484 0.089235 ESP Fit Center 1592 is at 4.010250 -4.398894 0.089235 ESP Fit Center 1593 is at 4.433067 -4.302389 0.089235 ESP Fit Center 1594 is at 4.808653 -4.085544 0.089235 ESP Fit Center 1595 is at 5.103637 -3.767626 0.089235 ESP Fit Center 1596 is at 2.496176 -3.759417 -0.315949 ESP Fit Center 1597 is at 2.754062 -4.095501 -0.315949 ESP Fit Center 1598 is at 3.090146 -4.353387 -0.315949 ESP Fit Center 1599 is at 3.481524 -4.515501 -0.315949 ESP Fit Center 1600 is at 3.901524 -4.570795 -0.315949 ESP Fit Center 1601 is at 4.321524 -4.515501 -0.315949 ESP Fit Center 1602 is at 4.712902 -4.353387 -0.315949 ESP Fit Center 1603 is at 5.048985 -4.095501 -0.315949 ESP Fit Center 1604 is at 5.306871 -3.759417 -0.315949 ESP Fit Center 1605 is at 2.339499 -3.566489 -0.750765 ESP Fit Center 1606 is at 2.542375 -3.935519 -0.750765 ESP Fit Center 1607 is at 2.830652 -4.242502 -0.750765 ESP Fit Center 1608 is at 3.186215 -4.468149 -0.750765 ESP Fit Center 1609 is at 3.586723 -4.598282 -0.750765 ESP Fit Center 1610 is at 4.007012 -4.624724 -0.750765 ESP Fit Center 1611 is at 4.420672 -4.545814 -0.750765 ESP Fit Center 1612 is at 4.801713 -4.366510 -0.750765 ESP Fit Center 1613 is at 5.126191 -4.098078 -0.750765 ESP Fit Center 1614 is at 5.373719 -3.757385 -0.750765 ESP Fit Center 1615 is at 5.528744 -3.365838 -0.750765 ESP Fit Center 1616 is at 2.334062 -3.368039 -1.185581 ESP Fit Center 1617 is at 2.496176 -3.759417 -1.185581 ESP Fit Center 1618 is at 2.754062 -4.095501 -1.185581 ESP Fit Center 1619 is at 3.090146 -4.353387 -1.185581 ESP Fit Center 1620 is at 3.481524 -4.515501 -1.185581 ESP Fit Center 1621 is at 3.901524 -4.570795 -1.185581 ESP Fit Center 1622 is at 4.321524 -4.515501 -1.185581 ESP Fit Center 1623 is at 4.712902 -4.353387 -1.185581 ESP Fit Center 1624 is at 5.048985 -4.095501 -1.185581 ESP Fit Center 1625 is at 5.306871 -3.759417 -1.185581 ESP Fit Center 1626 is at 5.468985 -3.368039 -1.185581 ESP Fit Center 1627 is at 2.590684 -3.579307 -1.590765 ESP Fit Center 1628 is at 2.834990 -3.937638 -1.590765 ESP Fit Center 1629 is at 3.174062 -4.208039 -1.590765 ESP Fit Center 1630 is at 3.577773 -4.366484 -1.590765 ESP Fit Center 1631 is at 4.010250 -4.398894 -1.590765 ESP Fit Center 1632 is at 4.433067 -4.302389 -1.590765 ESP Fit Center 1633 is at 4.808653 -4.085544 -1.590765 ESP Fit Center 1634 is at 5.103637 -3.767626 -1.590765 ESP Fit Center 1635 is at 5.291808 -3.376885 -1.590765 ESP Fit Center 1636 is at 2.891517 -3.573409 -1.938705 ESP Fit Center 1637 is at 3.185630 -3.896035 -1.938705 ESP Fit Center 1638 is at 3.576429 -4.090630 -1.938705 ESP Fit Center 1639 is at 4.011133 -4.130911 -1.938705 ESP Fit Center 1640 is at 4.431034 -4.011439 -1.938705 ESP Fit Center 1641 is at 4.779422 -3.748349 -1.938705 ESP Fit Center 1642 is at 5.009244 -3.377173 -1.938705 ESP Fit Center 1643 is at 3.174062 -3.368039 -2.205688 ESP Fit Center 1644 is at 3.481524 -3.675501 -2.205688 ESP Fit Center 1645 is at 3.901524 -3.788039 -2.205688 ESP Fit Center 1646 is at 4.321524 -3.675501 -2.205688 ESP Fit Center 1647 is at 4.628985 -3.368039 -2.205688 ESP Fit Center 1648 is at 3.684116 -3.324601 -2.373521 ESP Fit Center 1649 is at 4.118932 -3.324601 -2.373521 ESP Fit Center 1650 is at 5.999341 -1.662437 -1.845748 ESP Fit Center 1651 is at 5.946561 -1.244638 -1.845748 ESP Fit Center 1652 is at 5.791536 -2.471783 -1.845748 ESP Fit Center 1653 is at 5.946561 -2.080236 -1.845748 ESP Fit Center 1654 is at 5.942096 -1.662437 -2.280564 ESP Fit Center 1655 is at 5.886802 -1.242437 -2.280564 ESP Fit Center 1656 is at 5.724688 -0.851059 -2.280564 ESP Fit Center 1657 is at 4.739341 -3.229898 -2.280564 ESP Fit Center 1658 is at 5.130719 -3.067784 -2.280564 ESP Fit Center 1659 is at 5.466802 -2.809898 -2.280564 ESP Fit Center 1660 is at 5.724688 -2.473815 -2.280564 ESP Fit Center 1661 is at 5.886802 -2.082437 -2.280564 ESP Fit Center 1662 is at 5.774264 -1.662437 -2.685748 ESP Fit Center 1663 is at 5.709625 -1.233591 -2.685748 ESP Fit Center 1664 is at 5.521454 -0.842850 -2.685748 ESP Fit Center 1665 is at 5.226470 -0.524933 -2.685748 ESP Fit Center 1666 is at 4.850884 -0.308088 -2.685748 ESP Fit Center 1667 is at 4.428067 -0.211583 -2.685748 ESP Fit Center 1668 is at 2.880668 -1.879282 -2.685748 ESP Fit Center 1669 is at 3.008501 -2.293704 -2.685748 ESP Fit Center 1670 is at 3.252807 -2.652036 -2.685748 ESP Fit Center 1671 is at 3.591879 -2.922437 -2.685748 ESP Fit Center 1672 is at 3.995590 -3.080882 -2.685748 ESP Fit Center 1673 is at 4.428067 -3.113291 -2.685748 ESP Fit Center 1674 is at 4.850884 -3.016786 -2.685748 ESP Fit Center 1675 is at 5.226470 -2.799941 -2.685748 ESP Fit Center 1676 is at 5.521454 -2.482024 -2.685748 ESP Fit Center 1677 is at 5.709625 -2.091283 -2.685748 ESP Fit Center 1678 is at 5.507280 -1.662437 -3.033687 ESP Fit Center 1679 is at 5.427061 -1.233304 -3.033687 ESP Fit Center 1680 is at 5.197239 -0.862127 -3.033687 ESP Fit Center 1681 is at 4.848851 -0.599037 -3.033687 ESP Fit Center 1682 is at 4.428950 -0.479565 -3.033687 ESP Fit Center 1683 is at 3.151628 -1.444154 -3.033687 ESP Fit Center 1684 is at 3.151628 -1.880720 -3.033687 ESP Fit Center 1685 is at 3.309334 -2.287807 -3.033687 ESP Fit Center 1686 is at 3.603447 -2.610433 -3.033687 ESP Fit Center 1687 is at 3.994246 -2.805028 -3.033687 ESP Fit Center 1688 is at 4.428950 -2.845309 -3.033687 ESP Fit Center 1689 is at 4.848851 -2.725837 -3.033687 ESP Fit Center 1690 is at 5.197239 -2.462747 -3.033687 ESP Fit Center 1691 is at 5.427061 -2.091570 -3.033687 ESP Fit Center 1692 is at 5.159341 -1.662437 -3.300671 ESP Fit Center 1693 is at 5.046802 -1.242437 -3.300671 ESP Fit Center 1694 is at 4.739341 -0.934976 -3.300671 ESP Fit Center 1695 is at 4.319341 -0.822437 -3.300671 ESP Fit Center 1696 is at 3.899341 -0.934976 -3.300671 ESP Fit Center 1697 is at 3.591879 -1.242437 -3.300671 ESP Fit Center 1698 is at 3.479341 -1.662437 -3.300671 ESP Fit Center 1699 is at 3.591879 -2.082437 -3.300671 ESP Fit Center 1700 is at 3.899341 -2.389898 -3.300671 ESP Fit Center 1701 is at 4.319341 -2.502437 -3.300671 ESP Fit Center 1702 is at 4.739341 -2.389898 -3.300671 ESP Fit Center 1703 is at 5.046802 -2.082437 -3.300671 ESP Fit Center 1704 is at 4.754157 -1.662437 -3.468503 ESP Fit Center 1705 is at 4.536749 -1.285875 -3.468503 ESP Fit Center 1706 is at 4.101933 -1.285875 -3.468503 ESP Fit Center 1707 is at 3.884525 -1.662437 -3.468503 ESP Fit Center 1708 is at 4.101933 -2.038999 -3.468503 ESP Fit Center 1709 is at 4.536749 -2.038999 -3.468503 ESP Fit Center 1710 is at 4.319341 -1.662437 -3.525748 ESP Fit Center 1711 is at 4.641577 -1.551953 2.862944 ESP Fit Center 1712 is at 5.076393 -1.551953 2.805700 ESP Fit Center 1713 is at 4.858985 -1.175392 2.805700 ESP Fit Center 1714 is at 4.424169 -1.175392 2.805700 ESP Fit Center 1715 is at 4.206761 -1.551953 2.805700 ESP Fit Center 1716 is at 4.424169 -1.928515 2.805700 ESP Fit Center 1717 is at 4.858985 -1.928515 2.805700 ESP Fit Center 1718 is at 5.481577 -1.551953 2.637867 ESP Fit Center 1719 is at 5.369038 -1.131953 2.637867 ESP Fit Center 1720 is at 4.641577 -0.711953 2.637867 ESP Fit Center 1721 is at 4.221577 -0.824492 2.637867 ESP Fit Center 1722 is at 3.914116 -1.131953 2.637867 ESP Fit Center 1723 is at 3.801577 -1.551953 2.637867 ESP Fit Center 1724 is at 3.914116 -1.971953 2.637867 ESP Fit Center 1725 is at 4.221577 -2.279415 2.637867 ESP Fit Center 1726 is at 4.641577 -2.391953 2.637867 ESP Fit Center 1727 is at 5.061577 -2.279415 2.637867 ESP Fit Center 1728 is at 5.369038 -1.971953 2.637867 ESP Fit Center 1729 is at 5.829516 -1.551953 2.370884 ESP Fit Center 1730 is at 4.316482 -0.409363 2.370884 ESP Fit Center 1731 is at 3.925684 -0.603957 2.370884 ESP Fit Center 1732 is at 3.631571 -0.926584 2.370884 ESP Fit Center 1733 is at 3.473865 -1.333670 2.370884 ESP Fit Center 1734 is at 3.473865 -1.770237 2.370884 ESP Fit Center 1735 is at 3.631571 -2.177323 2.370884 ESP Fit Center 1736 is at 3.925684 -2.499950 2.370884 ESP Fit Center 1737 is at 4.316482 -2.694544 2.370884 ESP Fit Center 1738 is at 4.751186 -2.734825 2.370884 ESP Fit Center 1739 is at 5.171087 -2.615353 2.370884 ESP Fit Center 1740 is at 5.519475 -2.352263 2.370884 ESP Fit Center 1741 is at 5.749298 -1.981087 2.370884 ESP Fit Center 1742 is at 6.096500 -1.551953 2.022944 ESP Fit Center 1743 is at 4.317826 -0.133509 2.022944 ESP Fit Center 1744 is at 3.914116 -0.291953 2.022944 ESP Fit Center 1745 is at 3.575043 -0.562355 2.022944 ESP Fit Center 1746 is at 3.330737 -0.920686 2.022944 ESP Fit Center 1747 is at 3.202905 -1.335108 2.022944 ESP Fit Center 1748 is at 3.575043 -2.541552 2.022944 ESP Fit Center 1749 is at 3.914116 -2.811953 2.022944 ESP Fit Center 1750 is at 4.317826 -2.970398 2.022944 ESP Fit Center 1751 is at 4.750304 -3.002808 2.022944 ESP Fit Center 1752 is at 5.173120 -2.906303 2.022944 ESP Fit Center 1753 is at 5.548707 -2.689458 2.022944 ESP Fit Center 1754 is at 5.843691 -2.371541 2.022944 ESP Fit Center 1755 is at 6.031862 -1.980799 2.022944 ESP Fit Center 1756 is at 3.830199 -0.146606 1.617760 ESP Fit Center 1757 is at 3.494116 -0.404492 1.617760 ESP Fit Center 1758 is at 3.236230 -0.740576 1.617760 ESP Fit Center 1759 is at 3.830199 -2.957301 1.617760 ESP Fit Center 1760 is at 4.221577 -3.119415 1.617760 ESP Fit Center 1761 is at 4.641577 -3.174709 1.617760 ESP Fit Center 1762 is at 5.061577 -3.119415 1.617760 ESP Fit Center 1763 is at 5.452955 -2.957301 1.617760 ESP Fit Center 1764 is at 5.789038 -2.699415 1.617760 ESP Fit Center 1765 is at 3.926268 -3.072063 1.182944 ESP Fit Center 1766 is at 4.326776 -3.202196 1.182944 ESP Fit Center 1767 is at 4.747065 -3.228638 1.182944 ESP Fit Center 1768 is at 6.127531 -2.308784 1.674831 ESP Fit Center 1769 is at 6.750123 -1.932223 1.506998 ESP Fit Center 1770 is at 6.637584 -1.512223 1.506998 ESP Fit Center 1771 is at 5.910123 -2.772223 1.506998 ESP Fit Center 1772 is at 6.330123 -2.659684 1.506998 ESP Fit Center 1773 is at 6.637584 -2.352223 1.506998 ESP Fit Center 1774 is at 7.098062 -1.932223 1.240015 ESP Fit Center 1775 is at 5.585028 -3.074813 1.240015 ESP Fit Center 1776 is at 6.019732 -3.115094 1.240015 ESP Fit Center 1777 is at 6.439633 -2.995622 1.240015 ESP Fit Center 1778 is at 6.788021 -2.732532 1.240015 ESP Fit Center 1779 is at 7.017844 -2.361356 1.240015 ESP Fit Center 1780 is at 7.365046 -1.932223 0.892075 ESP Fit Center 1781 is at 5.586372 -3.350667 0.892075 ESP Fit Center 1782 is at 6.018850 -3.383077 0.892075 ESP Fit Center 1783 is at 6.441666 -3.286572 0.892075 ESP Fit Center 1784 is at 6.817252 -3.069727 0.892075 ESP Fit Center 1785 is at 7.112237 -2.751810 0.892075 ESP Fit Center 1786 is at 7.300408 -2.361069 0.892075 ESP Fit Center 1787 is at 7.532878 -1.932223 0.486891 ESP Fit Center 1788 is at 5.490123 -3.499684 0.486891 ESP Fit Center 1789 is at 5.910123 -3.554978 0.486891 ESP Fit Center 1790 is at 6.330123 -3.499684 0.486891 ESP Fit Center 1791 is at 6.721501 -3.337570 0.486891 ESP Fit Center 1792 is at 7.057584 -3.079684 0.486891 ESP Fit Center 1793 is at 7.315470 -2.743600 0.486891 ESP Fit Center 1794 is at 7.477584 -2.352223 0.486891 ESP Fit Center 1795 is at 7.590123 -1.932223 0.052075 ESP Fit Center 1796 is at 7.537343 -1.514424 0.052075 ESP Fit Center 1797 is at 5.595322 -3.582465 0.052075 ESP Fit Center 1798 is at 6.015611 -3.608907 0.052075 ESP Fit Center 1799 is at 6.429272 -3.529997 0.052075 ESP Fit Center 1800 is at 6.810312 -3.350693 0.052075 ESP Fit Center 1801 is at 7.134790 -3.082262 0.052075 ESP Fit Center 1802 is at 7.382318 -2.741569 0.052075 ESP Fit Center 1803 is at 7.537343 -2.350022 0.052075 ESP Fit Center 1804 is at 7.532878 -1.932223 -0.382741 ESP Fit Center 1805 is at 7.477584 -1.512223 -0.382741 ESP Fit Center 1806 is at 7.315470 -1.120845 -0.382741 ESP Fit Center 1807 is at 5.490123 -3.499684 -0.382741 ESP Fit Center 1808 is at 5.910123 -3.554978 -0.382741 ESP Fit Center 1809 is at 6.330123 -3.499684 -0.382741 ESP Fit Center 1810 is at 6.721501 -3.337570 -0.382741 ESP Fit Center 1811 is at 7.057584 -3.079684 -0.382741 ESP Fit Center 1812 is at 7.315470 -2.743600 -0.382741 ESP Fit Center 1813 is at 7.477584 -2.352223 -0.382741 ESP Fit Center 1814 is at 7.365046 -1.932223 -0.787925 ESP Fit Center 1815 is at 7.300408 -1.503377 -0.787925 ESP Fit Center 1816 is at 7.112237 -1.112635 -0.787925 ESP Fit Center 1817 is at 5.586372 -3.350667 -0.787925 ESP Fit Center 1818 is at 6.018850 -3.383077 -0.787925 ESP Fit Center 1819 is at 6.441666 -3.286572 -0.787925 ESP Fit Center 1820 is at 6.817252 -3.069727 -0.787925 ESP Fit Center 1821 is at 7.112237 -2.751810 -0.787925 ESP Fit Center 1822 is at 7.300408 -2.361069 -0.787925 ESP Fit Center 1823 is at 7.098062 -1.932223 -1.135864 ESP Fit Center 1824 is at 7.017844 -1.503089 -1.135864 ESP Fit Center 1825 is at 6.788021 -1.131913 -1.135864 ESP Fit Center 1826 is at 6.019732 -3.115094 -1.135864 ESP Fit Center 1827 is at 6.439633 -2.995622 -1.135864 ESP Fit Center 1828 is at 6.788021 -2.732532 -1.135864 ESP Fit Center 1829 is at 7.017844 -2.361356 -1.135864 ESP Fit Center 1830 is at 6.750123 -1.932223 -1.402847 ESP Fit Center 1831 is at 6.637584 -1.512223 -1.402847 ESP Fit Center 1832 is at 5.910123 -2.772223 -1.402847 ESP Fit Center 1833 is at 6.330123 -2.659684 -1.402847 ESP Fit Center 1834 is at 6.637584 -2.352223 -1.402847 ESP Fit Center 1835 is at 6.344939 -1.932223 -1.570680 ESP Fit Center 1836 is at 6.127531 -2.308784 -1.570680 ESP Fit Center 1837 is at 7.552137 0.605008 2.786960 ESP Fit Center 1838 is at 7.473352 1.026467 2.786960 ESP Fit Center 1839 is at 7.870364 0.605008 2.525799 ESP Fit Center 1840 is at 7.357858 -0.517223 2.525799 ESP Fit Center 1841 is at 7.810214 0.186656 2.525799 ESP Fit Center 1842 is at 7.004610 -1.027611 2.207572 ESP Fit Center 1843 is at 4.723011 1.605258 1.844509 ESP Fit Center 1844 is at 4.546853 1.224500 1.844509 ESP Fit Center 1845 is at 6.490477 -1.332294 1.844509 ESP Fit Center 1846 is at 7.552137 0.605008 -0.705212 ESP Fit Center 1847 is at 4.208938 1.102262 1.789662 ESP Fit Center 1848 is at 3.991530 0.725701 1.789662 ESP Fit Center 1849 is at 4.426346 1.565701 1.621829 ESP Fit Center 1850 is at 4.006346 1.453162 1.621829 ESP Fit Center 1851 is at 3.698885 1.145701 1.621829 ESP Fit Center 1852 is at 3.586346 0.725701 1.621829 ESP Fit Center 1853 is at 3.698885 0.305701 1.621829 ESP Fit Center 1854 is at 4.101251 1.868291 1.354846 ESP Fit Center 1855 is at 3.710453 1.673697 1.354846 ESP Fit Center 1856 is at 3.416340 1.351070 1.354846 ESP Fit Center 1857 is at 3.258634 0.943984 1.354846 ESP Fit Center 1858 is at 3.258634 0.507417 1.354846 ESP Fit Center 1859 is at 3.416340 0.100331 1.354846 ESP Fit Center 1860 is at 4.102595 2.144145 1.006906 ESP Fit Center 1861 is at 3.698885 1.985701 1.006906 ESP Fit Center 1862 is at 3.359812 1.715299 1.006906 ESP Fit Center 1863 is at 3.115506 1.356968 1.006906 ESP Fit Center 1864 is at 2.987674 0.942546 1.006906 ESP Fit Center 1865 is at 2.987674 0.508856 1.006906 ESP Fit Center 1866 is at 3.115506 0.094433 1.006906 ESP Fit Center 1867 is at 3.359812 -0.263898 1.006906 ESP Fit Center 1868 is at 4.006346 2.293162 0.601722 ESP Fit Center 1869 is at 3.614968 2.131048 0.601722 ESP Fit Center 1870 is at 3.278885 1.873162 0.601722 ESP Fit Center 1871 is at 3.020999 1.537078 0.601722 ESP Fit Center 1872 is at 2.858885 1.145701 0.601722 ESP Fit Center 1873 is at 2.803591 0.725701 0.601722 ESP Fit Center 1874 is at 4.111545 2.375943 0.166906 ESP Fit Center 1875 is at 3.711037 2.245810 0.166906 ESP Fit Center 1876 is at 3.355474 2.020163 0.166906 ESP Fit Center 1877 is at 3.067198 1.713180 0.166906 ESP Fit Center 1878 is at 2.864322 1.344150 0.166906 ESP Fit Center 1879 is at 2.759593 0.936260 0.166906 ESP Fit Center 1880 is at 4.846346 2.293162 -0.267910 ESP Fit Center 1881 is at 4.426346 2.348456 -0.267910 ESP Fit Center 1882 is at 4.006346 2.293162 -0.267910 ESP Fit Center 1883 is at 3.614968 2.131048 -0.267910 ESP Fit Center 1884 is at 3.278885 1.873162 -0.267910 ESP Fit Center 1885 is at 3.020999 1.537078 -0.267910 ESP Fit Center 1886 is at 4.957889 2.080050 -0.673094 ESP Fit Center 1887 is at 4.535073 2.176555 -0.673094 ESP Fit Center 1888 is at 4.102595 2.144145 -0.673094 ESP Fit Center 1889 is at 3.698885 1.985701 -0.673094 ESP Fit Center 1890 is at 3.359812 1.715299 -0.673094 ESP Fit Center 1891 is at 3.115506 1.356968 -0.673094 ESP Fit Center 1892 is at 4.535955 1.908572 -1.021033 ESP Fit Center 1893 is at 4.101251 1.868291 -1.021033 ESP Fit Center 1894 is at 3.710453 1.673697 -1.021033 ESP Fit Center 1895 is at 3.416340 1.351070 -1.021033 ESP Fit Center 1896 is at 4.426346 1.565701 -1.288017 ESP Fit Center 1897 is at 4.006346 1.453162 -1.288017 ESP Fit Center 1898 is at 3.698885 1.145701 -1.288017 ESP Fit Center 1899 is at 4.208938 1.102262 -1.455849 ESP Fit Center 1900 is at 7.363496 0.332197 -0.972835 ESP Fit Center 1901 is at 7.310715 0.749996 -0.972835 ESP Fit Center 1902 is at 5.368695 1.982439 -0.972835 ESP Fit Center 1903 is at 6.908163 -0.817842 -0.972835 ESP Fit Center 1904 is at 7.155691 -0.477149 -0.972835 ESP Fit Center 1905 is at 7.310715 -0.085602 -0.972835 ESP Fit Center 1906 is at 7.306251 0.332197 -1.407651 ESP Fit Center 1907 is at 7.250957 0.752197 -1.407651 ESP Fit Center 1908 is at 7.088843 1.143575 -1.407651 ESP Fit Center 1909 is at 6.103496 1.899658 -1.407651 ESP Fit Center 1910 is at 5.683496 1.954952 -1.407651 ESP Fit Center 1911 is at 5.263496 1.899658 -1.407651 ESP Fit Center 1912 is at 4.872118 1.737544 -1.407651 ESP Fit Center 1913 is at 4.536034 1.479658 -1.407651 ESP Fit Center 1914 is at 6.494873 -1.073151 -1.407651 ESP Fit Center 1915 is at 6.830957 -0.815264 -1.407651 ESP Fit Center 1916 is at 7.088843 -0.479181 -1.407651 ESP Fit Center 1917 is at 7.250957 -0.087803 -1.407651 ESP Fit Center 1918 is at 7.138418 0.332197 -1.812835 ESP Fit Center 1919 is at 7.073780 0.761043 -1.812835 ESP Fit Center 1920 is at 6.885609 1.151784 -1.812835 ESP Fit Center 1921 is at 6.590625 1.469701 -1.812835 ESP Fit Center 1922 is at 6.215039 1.686546 -1.812835 ESP Fit Center 1923 is at 5.792222 1.783051 -1.812835 ESP Fit Center 1924 is at 5.359745 1.750642 -1.812835 ESP Fit Center 1925 is at 4.956034 1.592197 -1.812835 ESP Fit Center 1926 is at 4.616962 1.321796 -1.812835 ESP Fit Center 1927 is at 4.372656 0.963464 -1.812835 ESP Fit Center 1928 is at 4.244823 0.549042 -1.812835 ESP Fit Center 1929 is at 6.215039 -1.022152 -1.812835 ESP Fit Center 1930 is at 6.590625 -0.805307 -1.812835 ESP Fit Center 1931 is at 6.885609 -0.487390 -1.812835 ESP Fit Center 1932 is at 7.073780 -0.096649 -1.812835 ESP Fit Center 1933 is at 6.871435 0.332197 -2.160774 ESP Fit Center 1934 is at 6.791216 0.761330 -2.160774 ESP Fit Center 1935 is at 6.561394 1.132506 -2.160774 ESP Fit Center 1936 is at 6.213006 1.395597 -2.160774 ESP Fit Center 1937 is at 5.793105 1.515069 -2.160774 ESP Fit Center 1938 is at 5.358401 1.474787 -2.160774 ESP Fit Center 1939 is at 4.967602 1.280193 -2.160774 ESP Fit Center 1940 is at 4.673489 0.957566 -2.160774 ESP Fit Center 1941 is at 4.515783 0.550480 -2.160774 ESP Fit Center 1942 is at 4.515783 0.113914 -2.160774 ESP Fit Center 1943 is at 5.793105 -0.850675 -2.160774 ESP Fit Center 1944 is at 6.213006 -0.731203 -2.160774 ESP Fit Center 1945 is at 6.561394 -0.468113 -2.160774 ESP Fit Center 1946 is at 6.791216 -0.096936 -2.160774 ESP Fit Center 1947 is at 6.523496 0.332197 -2.427757 ESP Fit Center 1948 is at 6.410957 0.752197 -2.427757 ESP Fit Center 1949 is at 6.103496 1.059658 -2.427757 ESP Fit Center 1950 is at 5.683496 1.172197 -2.427757 ESP Fit Center 1951 is at 5.263496 1.059658 -2.427757 ESP Fit Center 1952 is at 4.956034 0.752197 -2.427757 ESP Fit Center 1953 is at 4.843496 0.332197 -2.427757 ESP Fit Center 1954 is at 4.956034 -0.087803 -2.427757 ESP Fit Center 1955 is at 5.263496 -0.395264 -2.427757 ESP Fit Center 1956 is at 5.683496 -0.507803 -2.427757 ESP Fit Center 1957 is at 6.103496 -0.395264 -2.427757 ESP Fit Center 1958 is at 6.410957 -0.087803 -2.427757 ESP Fit Center 1959 is at 6.118312 0.332197 -2.595590 ESP Fit Center 1960 is at 5.900904 0.708759 -2.595590 ESP Fit Center 1961 is at 5.466088 0.708759 -2.595590 ESP Fit Center 1962 is at 5.248680 0.332197 -2.595590 ESP Fit Center 1963 is at 5.466088 -0.044365 -2.595590 ESP Fit Center 1964 is at 5.900904 -0.044365 -2.595590 ESP Fit Center 1965 is at 5.683496 0.332197 -2.652835 ESP Fit Center 1966 is at 7.509648 -0.359655 2.536922 ESP Fit Center 1967 is at 8.132240 0.016907 2.369089 ESP Fit Center 1968 is at 8.019701 0.436907 2.369089 ESP Fit Center 1969 is at 7.292240 -0.823093 2.369089 ESP Fit Center 1970 is at 7.712240 -0.710555 2.369089 ESP Fit Center 1971 is at 8.019701 -0.403093 2.369089 ESP Fit Center 1972 is at 8.480179 0.016907 2.102106 ESP Fit Center 1973 is at 8.399960 0.446040 2.102106 ESP Fit Center 1974 is at 6.967145 -1.125684 2.102106 ESP Fit Center 1975 is at 7.401849 -1.165965 2.102106 ESP Fit Center 1976 is at 7.821750 -1.046493 2.102106 ESP Fit Center 1977 is at 8.170137 -0.783403 2.102106 ESP Fit Center 1978 is at 8.399960 -0.412226 2.102106 ESP Fit Center 1979 is at 8.747162 0.016907 1.754167 ESP Fit Center 1980 is at 8.682524 0.445753 1.754167 ESP Fit Center 1981 is at 8.494353 0.836494 1.754167 ESP Fit Center 1982 is at 6.968489 -1.401538 1.754167 ESP Fit Center 1983 is at 7.400966 -1.433948 1.754167 ESP Fit Center 1984 is at 7.823783 -1.337443 1.754167 ESP Fit Center 1985 is at 8.199369 -1.120598 1.754167 ESP Fit Center 1986 is at 8.494353 -0.802680 1.754167 ESP Fit Center 1987 is at 8.682524 -0.411939 1.754167 ESP Fit Center 1988 is at 8.914995 0.016907 1.348983 ESP Fit Center 1989 is at 8.859701 0.436907 1.348983 ESP Fit Center 1990 is at 8.697587 0.828284 1.348983 ESP Fit Center 1991 is at 7.292240 -1.605849 1.348983 ESP Fit Center 1992 is at 7.712240 -1.550555 1.348983 ESP Fit Center 1993 is at 8.103617 -1.388441 1.348983 ESP Fit Center 1994 is at 8.439701 -1.130555 1.348983 ESP Fit Center 1995 is at 8.697587 -0.794471 1.348983 ESP Fit Center 1996 is at 8.859701 -0.403093 1.348983 ESP Fit Center 1997 is at 8.972240 0.016907 0.914167 ESP Fit Center 1998 is at 8.919459 0.434706 0.914167 ESP Fit Center 1999 is at 8.764435 0.826253 0.914167 ESP Fit Center 2000 is at 7.397728 -1.659778 0.914167 ESP Fit Center 2001 is at 7.811388 -1.580868 0.914167 ESP Fit Center 2002 is at 8.192429 -1.401564 0.914167 ESP Fit Center 2003 is at 8.516907 -1.133132 0.914167 ESP Fit Center 2004 is at 8.764435 -0.792439 0.914167 ESP Fit Center 2005 is at 8.919459 -0.400892 0.914167 ESP Fit Center 2006 is at 8.914995 0.016907 0.479351 ESP Fit Center 2007 is at 8.859701 0.436907 0.479351 ESP Fit Center 2008 is at 8.697587 0.828284 0.479351 ESP Fit Center 2009 is at 7.712240 -1.550555 0.479351 ESP Fit Center 2010 is at 8.103617 -1.388441 0.479351 ESP Fit Center 2011 is at 8.439701 -1.130555 0.479351 ESP Fit Center 2012 is at 8.697587 -0.794471 0.479351 ESP Fit Center 2013 is at 8.859701 -0.403093 0.479351 ESP Fit Center 2014 is at 8.747162 0.016907 0.074167 ESP Fit Center 2015 is at 8.682524 0.445753 0.074167 ESP Fit Center 2016 is at 8.494353 0.836494 0.074167 ESP Fit Center 2017 is at 7.823783 -1.337443 0.074167 ESP Fit Center 2018 is at 8.199369 -1.120598 0.074167 ESP Fit Center 2019 is at 8.494353 -0.802680 0.074167 ESP Fit Center 2020 is at 8.682524 -0.411939 0.074167 ESP Fit Center 2021 is at 8.480179 0.016907 -0.273773 ESP Fit Center 2022 is at 8.399960 0.446040 -0.273773 ESP Fit Center 2023 is at 8.170137 0.817216 -0.273773 ESP Fit Center 2024 is at 7.401849 -1.165965 -0.273773 ESP Fit Center 2025 is at 7.821750 -1.046493 -0.273773 ESP Fit Center 2026 is at 8.170137 -0.783403 -0.273773 ESP Fit Center 2027 is at 8.399960 -0.412226 -0.273773 ESP Fit Center 2028 is at 8.132240 0.016907 -0.540756 ESP Fit Center 2029 is at 8.019701 0.436907 -0.540756 ESP Fit Center 2030 is at 7.292240 -0.823093 -0.540756 ESP Fit Center 2031 is at 7.712240 -0.710555 -0.540756 ESP Fit Center 2032 is at 8.019701 -0.403093 -0.540756 ESP Fit Center 2033 is at 7.727056 0.016907 -0.708589 ESP Fit Center 2034 is at 7.509648 -0.359655 -0.708589 ESP Fit Center 2035 is at 6.033520 0.408869 3.731525 ESP Fit Center 2036 is at 6.468336 0.408869 3.674281 ESP Fit Center 2037 is at 6.250928 0.785430 3.674281 ESP Fit Center 2038 is at 5.816112 0.785430 3.674281 ESP Fit Center 2039 is at 5.598704 0.408869 3.674281 ESP Fit Center 2040 is at 5.816112 0.032307 3.674281 ESP Fit Center 2041 is at 6.250928 0.032307 3.674281 ESP Fit Center 2042 is at 6.873520 0.408869 3.506448 ESP Fit Center 2043 is at 6.760982 0.828869 3.506448 ESP Fit Center 2044 is at 6.453520 1.136330 3.506448 ESP Fit Center 2045 is at 6.033520 1.248869 3.506448 ESP Fit Center 2046 is at 5.613520 1.136330 3.506448 ESP Fit Center 2047 is at 5.306059 0.828869 3.506448 ESP Fit Center 2048 is at 5.193520 0.408869 3.506448 ESP Fit Center 2049 is at 5.306059 -0.011131 3.506448 ESP Fit Center 2050 is at 5.613520 -0.318593 3.506448 ESP Fit Center 2051 is at 6.033520 -0.431131 3.506448 ESP Fit Center 2052 is at 6.453520 -0.318593 3.506448 ESP Fit Center 2053 is at 6.760982 -0.011131 3.506448 ESP Fit Center 2054 is at 7.221460 0.408869 3.239465 ESP Fit Center 2055 is at 7.141241 0.838002 3.239465 ESP Fit Center 2056 is at 6.911418 1.209178 3.239465 ESP Fit Center 2057 is at 6.563031 1.472268 3.239465 ESP Fit Center 2058 is at 6.143130 1.591740 3.239465 ESP Fit Center 2059 is at 5.708425 1.551459 3.239465 ESP Fit Center 2060 is at 5.317627 1.356865 3.239465 ESP Fit Center 2061 is at 5.023514 1.034238 3.239465 ESP Fit Center 2062 is at 4.865808 0.627152 3.239465 ESP Fit Center 2063 is at 4.865808 0.190585 3.239465 ESP Fit Center 2064 is at 5.023514 -0.216501 3.239465 ESP Fit Center 2065 is at 5.317627 -0.539128 3.239465 ESP Fit Center 2066 is at 5.708425 -0.733722 3.239465 ESP Fit Center 2067 is at 6.143130 -0.774003 3.239465 ESP Fit Center 2068 is at 6.563031 -0.654531 3.239465 ESP Fit Center 2069 is at 6.911418 -0.391441 3.239465 ESP Fit Center 2070 is at 7.141241 -0.020265 3.239465 ESP Fit Center 2071 is at 7.488443 0.408869 2.891525 ESP Fit Center 2072 is at 7.423805 0.837715 2.891525 ESP Fit Center 2073 is at 7.235634 1.228456 2.891525 ESP Fit Center 2074 is at 5.709770 1.827313 2.891525 ESP Fit Center 2075 is at 5.306059 1.668869 2.891525 ESP Fit Center 2076 is at 4.966987 1.398467 2.891525 ESP Fit Center 2077 is at 4.722680 1.040136 2.891525 ESP Fit Center 2078 is at 4.594848 0.625714 2.891525 ESP Fit Center 2079 is at 4.594848 0.192024 2.891525 ESP Fit Center 2080 is at 4.722680 -0.222399 2.891525 ESP Fit Center 2081 is at 4.966987 -0.580730 2.891525 ESP Fit Center 2082 is at 5.306059 -0.851131 2.891525 ESP Fit Center 2083 is at 5.709770 -1.009576 2.891525 ESP Fit Center 2084 is at 6.142247 -1.041986 2.891525 ESP Fit Center 2085 is at 6.565063 -0.945481 2.891525 ESP Fit Center 2086 is at 6.940650 -0.728636 2.891525 ESP Fit Center 2087 is at 7.235634 -0.410719 2.891525 ESP Fit Center 2088 is at 7.423805 -0.019977 2.891525 ESP Fit Center 2089 is at 5.222143 1.814216 2.486341 ESP Fit Center 2090 is at 4.886059 1.556330 2.486341 ESP Fit Center 2091 is at 4.628173 1.220246 2.486341 ESP Fit Center 2092 is at 4.466059 0.828869 2.486341 ESP Fit Center 2093 is at 4.410765 0.408869 2.486341 ESP Fit Center 2094 is at 4.466059 -0.011131 2.486341 ESP Fit Center 2095 is at 4.628173 -0.402509 2.486341 ESP Fit Center 2096 is at 6.033520 -1.213887 2.486341 ESP Fit Center 2097 is at 6.453520 -1.158593 2.486341 ESP Fit Center 2098 is at 6.844898 -0.996479 2.486341 ESP Fit Center 2099 is at 7.180982 -0.738593 2.486341 ESP Fit Center 2100 is at 4.674372 1.396348 2.051525 ESP Fit Center 2101 is at 4.471496 1.027318 2.051525 ESP Fit Center 2102 is at 4.366768 0.619428 2.051525 ESP Fit Center 2103 is at 4.366768 0.198309 2.051525 ESP Fit Center 2104 is at 6.139008 -1.267816 2.051525 ESP Fit Center 2105 is at 6.310893 2.089564 2.961056 ESP Fit Center 2106 is at 6.318765 2.785532 2.841554 ESP Fit Center 2107 is at 6.024614 2.491381 2.841554 ESP Fit Center 2108 is at 5.916947 2.089564 2.841554 ESP Fit Center 2109 is at 6.401301 3.211723 2.647493 ESP Fit Center 2110 is at 6.509256 3.559373 2.386331 ESP Fit Center 2111 is at 6.825620 4.026865 1.705042 ESP Fit Center 2112 is at 7.032471 4.125461 1.311097 ESP Fit Center 2113 is at 7.524218 4.029711 0.901407 ESP Fit Center 2114 is at 7.130272 4.149213 0.901407 ESP Fit Center 2115 is at 6.720583 4.189564 0.901407 ESP Fit Center 2116 is at 8.660730 1.285928 0.901407 ESP Fit Center 2117 is at 8.780232 2.089564 0.491717 ESP Fit Center 2118 is at 8.738071 2.504168 0.491717 ESP Fit Center 2119 is at 8.613313 2.901798 0.491717 ESP Fit Center 2120 is at 8.411067 3.266176 0.491717 ESP Fit Center 2121 is at 8.139613 3.582382 0.491717 ESP Fit Center 2122 is at 7.810063 3.837473 0.491717 ESP Fit Center 2123 is at 7.435910 4.021004 0.491717 ESP Fit Center 2124 is at 7.032471 4.125461 0.491717 ESP Fit Center 2125 is at 6.616263 4.146569 0.491717 ESP Fit Center 2126 is at 8.613313 1.277329 0.491717 ESP Fit Center 2127 is at 8.738071 1.674959 0.491717 ESP Fit Center 2128 is at 6.825620 4.026865 0.097772 ESP Fit Center 2129 is at 6.406702 4.004152 0.097772 ESP Fit Center 2130 is at 8.481412 1.274917 0.097772 ESP Fit Center 2131 is at 6.101412 3.722182 -0.265291 ESP Fit Center 2132 is at 5.748164 3.211794 -0.583517 ESP Fit Center 2133 is at 5.471385 2.892374 -0.583517 ESP Fit Center 2134 is at 5.295808 2.507915 -0.583517 ESP Fit Center 2135 is at 5.573750 2.303944 -0.844679 ESP Fit Center 2136 is at 5.839852 2.705982 2.736393 ESP Fit Center 2137 is at 6.057260 3.082544 2.679148 ESP Fit Center 2138 is at 5.622444 3.082544 2.679148 ESP Fit Center 2139 is at 5.405036 2.705982 2.679148 ESP Fit Center 2140 is at 5.622444 2.329421 2.679148 ESP Fit Center 2141 is at 6.259852 3.433444 2.511316 ESP Fit Center 2142 is at 5.839852 3.545982 2.511316 ESP Fit Center 2143 is at 5.419852 3.433444 2.511316 ESP Fit Center 2144 is at 5.112391 3.125982 2.511316 ESP Fit Center 2145 is at 4.999852 2.705982 2.511316 ESP Fit Center 2146 is at 5.112391 2.285982 2.511316 ESP Fit Center 2147 is at 6.369362 3.769382 2.244332 ESP Fit Center 2148 is at 5.949461 3.888854 2.244332 ESP Fit Center 2149 is at 5.514757 3.848573 2.244332 ESP Fit Center 2150 is at 5.123959 3.653979 2.244332 ESP Fit Center 2151 is at 4.829846 3.331352 2.244332 ESP Fit Center 2152 is at 4.672139 2.924266 2.244332 ESP Fit Center 2153 is at 4.672139 2.487699 2.244332 ESP Fit Center 2154 is at 4.829846 2.080613 2.244332 ESP Fit Center 2155 is at 6.371395 4.060332 1.896393 ESP Fit Center 2156 is at 5.948578 4.156837 1.896393 ESP Fit Center 2157 is at 5.516101 4.124427 1.896393 ESP Fit Center 2158 is at 5.112391 3.965982 1.896393 ESP Fit Center 2159 is at 4.773318 3.695581 1.896393 ESP Fit Center 2160 is at 4.529012 3.337250 1.896393 ESP Fit Center 2161 is at 4.401180 2.922827 1.896393 ESP Fit Center 2162 is at 4.401180 2.489137 1.896393 ESP Fit Center 2163 is at 4.529012 2.074715 1.896393 ESP Fit Center 2164 is at 4.773318 1.716384 1.896393 ESP Fit Center 2165 is at 6.651230 4.111330 1.491209 ESP Fit Center 2166 is at 6.259852 4.273444 1.491209 ESP Fit Center 2167 is at 5.839852 4.328738 1.491209 ESP Fit Center 2168 is at 5.419852 4.273444 1.491209 ESP Fit Center 2169 is at 5.028474 4.111330 1.491209 ESP Fit Center 2170 is at 4.692391 3.853444 1.491209 ESP Fit Center 2171 is at 4.434505 3.517360 1.491209 ESP Fit Center 2172 is at 4.272391 3.125982 1.491209 ESP Fit Center 2173 is at 4.217097 2.705982 1.491209 ESP Fit Center 2174 is at 4.272391 2.285982 1.491209 ESP Fit Center 2175 is at 4.434505 1.894605 1.491209 ESP Fit Center 2176 is at 6.359000 4.303757 1.056393 ESP Fit Center 2177 is at 5.945340 4.382667 1.056393 ESP Fit Center 2178 is at 5.525051 4.356225 1.056393 ESP Fit Center 2179 is at 5.124543 4.226092 1.056393 ESP Fit Center 2180 is at 4.768980 4.000445 1.056393 ESP Fit Center 2181 is at 4.480703 3.693462 1.056393 ESP Fit Center 2182 is at 4.277827 3.324432 1.056393 ESP Fit Center 2183 is at 4.173099 2.916542 1.056393 ESP Fit Center 2184 is at 4.173099 2.495423 1.056393 ESP Fit Center 2185 is at 6.259852 4.273444 0.621577 ESP Fit Center 2186 is at 5.839852 4.328738 0.621577 ESP Fit Center 2187 is at 5.419852 4.273444 0.621577 ESP Fit Center 2188 is at 5.028474 4.111330 0.621577 ESP Fit Center 2189 is at 4.692391 3.853444 0.621577 ESP Fit Center 2190 is at 4.434505 3.517360 0.621577 ESP Fit Center 2191 is at 4.272391 3.125982 0.621577 ESP Fit Center 2192 is at 4.217097 2.705982 0.621577 ESP Fit Center 2193 is at 6.371395 4.060332 0.216393 ESP Fit Center 2194 is at 5.948578 4.156837 0.216393 ESP Fit Center 2195 is at 5.516101 4.124427 0.216393 ESP Fit Center 2196 is at 5.112391 3.965982 0.216393 ESP Fit Center 2197 is at 4.773318 3.695581 0.216393 ESP Fit Center 2198 is at 4.529012 3.337250 0.216393 ESP Fit Center 2199 is at 4.401180 2.922827 0.216393 ESP Fit Center 2200 is at 4.401180 2.489137 0.216393 ESP Fit Center 2201 is at 5.949461 3.888854 -0.131547 ESP Fit Center 2202 is at 5.514757 3.848573 -0.131547 ESP Fit Center 2203 is at 5.123959 3.653979 -0.131547 ESP Fit Center 2204 is at 4.829846 3.331352 -0.131547 ESP Fit Center 2205 is at 4.672139 2.924266 -0.131547 ESP Fit Center 2206 is at 4.672139 2.487699 -0.131547 ESP Fit Center 2207 is at 5.839852 3.545982 -0.398530 ESP Fit Center 2208 is at 5.419852 3.433444 -0.398530 ESP Fit Center 2209 is at 5.112391 3.125982 -0.398530 ESP Fit Center 2210 is at 4.999852 2.705982 -0.398530 ESP Fit Center 2211 is at 8.676182 2.732425 0.346234 ESP Fit Center 2212 is at 8.514068 3.123802 0.346234 ESP Fit Center 2213 is at 8.256182 3.459886 0.346234 ESP Fit Center 2214 is at 8.788721 2.312425 -0.088582 ESP Fit Center 2215 is at 8.735940 2.730224 -0.088582 ESP Fit Center 2216 is at 8.580916 3.121771 -0.088582 ESP Fit Center 2217 is at 8.333388 3.462464 -0.088582 ESP Fit Center 2218 is at 8.008910 3.730895 -0.088582 ESP Fit Center 2219 is at 7.627869 3.910200 -0.088582 ESP Fit Center 2220 is at 7.214209 3.989109 -0.088582 ESP Fit Center 2221 is at 6.793920 3.962667 -0.088582 ESP Fit Center 2222 is at 8.333388 1.162385 -0.088582 ESP Fit Center 2223 is at 8.580916 1.503078 -0.088582 ESP Fit Center 2224 is at 8.735940 1.894626 -0.088582 ESP Fit Center 2225 is at 8.731476 2.312425 -0.523398 ESP Fit Center 2226 is at 8.676182 2.732425 -0.523398 ESP Fit Center 2227 is at 8.514068 3.123802 -0.523398 ESP Fit Center 2228 is at 8.256182 3.459886 -0.523398 ESP Fit Center 2229 is at 7.920098 3.717772 -0.523398 ESP Fit Center 2230 is at 7.528721 3.879886 -0.523398 ESP Fit Center 2231 is at 7.108721 3.935180 -0.523398 ESP Fit Center 2232 is at 6.688721 3.879886 -0.523398 ESP Fit Center 2233 is at 6.297343 3.717772 -0.523398 ESP Fit Center 2234 is at 5.961259 3.459886 -0.523398 ESP Fit Center 2235 is at 7.920098 0.907077 -0.523398 ESP Fit Center 2236 is at 8.256182 1.164963 -0.523398 ESP Fit Center 2237 is at 8.514068 1.501047 -0.523398 ESP Fit Center 2238 is at 8.676182 1.892425 -0.523398 ESP Fit Center 2239 is at 8.563643 2.312425 -0.928582 ESP Fit Center 2240 is at 8.499005 2.741271 -0.928582 ESP Fit Center 2241 is at 8.310834 3.132012 -0.928582 ESP Fit Center 2242 is at 8.015850 3.449929 -0.928582 ESP Fit Center 2243 is at 7.640264 3.666774 -0.928582 ESP Fit Center 2244 is at 7.217447 3.763279 -0.928582 ESP Fit Center 2245 is at 6.784970 3.730869 -0.928582 ESP Fit Center 2246 is at 6.381259 3.572425 -0.928582 ESP Fit Center 2247 is at 6.042187 3.302023 -0.928582 ESP Fit Center 2248 is at 5.797881 2.943692 -0.928582 ESP Fit Center 2249 is at 5.670048 2.529270 -0.928582 ESP Fit Center 2250 is at 5.670048 2.095580 -0.928582 ESP Fit Center 2251 is at 7.640264 0.958075 -0.928582 ESP Fit Center 2252 is at 8.015850 1.174920 -0.928582 ESP Fit Center 2253 is at 8.310834 1.492837 -0.928582 ESP Fit Center 2254 is at 8.499005 1.883579 -0.928582 ESP Fit Center 2255 is at 8.296660 2.312425 -1.276522 ESP Fit Center 2256 is at 8.216441 2.741558 -1.276522 ESP Fit Center 2257 is at 7.986619 3.112734 -1.276522 ESP Fit Center 2258 is at 7.638231 3.375824 -1.276522 ESP Fit Center 2259 is at 7.218330 3.495296 -1.276522 ESP Fit Center 2260 is at 6.783626 3.455015 -1.276522 ESP Fit Center 2261 is at 6.392827 3.260421 -1.276522 ESP Fit Center 2262 is at 6.098714 2.937794 -1.276522 ESP Fit Center 2263 is at 5.941008 2.530708 -1.276522 ESP Fit Center 2264 is at 5.941008 2.094141 -1.276522 ESP Fit Center 2265 is at 7.218330 1.129553 -1.276522 ESP Fit Center 2266 is at 7.638231 1.249025 -1.276522 ESP Fit Center 2267 is at 7.986619 1.512115 -1.276522 ESP Fit Center 2268 is at 8.216441 1.883291 -1.276522 ESP Fit Center 2269 is at 7.948721 2.312425 -1.543505 ESP Fit Center 2270 is at 7.836182 2.732425 -1.543505 ESP Fit Center 2271 is at 7.528721 3.039886 -1.543505 ESP Fit Center 2272 is at 7.108721 3.152425 -1.543505 ESP Fit Center 2273 is at 6.688721 3.039886 -1.543505 ESP Fit Center 2274 is at 6.381259 2.732425 -1.543505 ESP Fit Center 2275 is at 6.268721 2.312425 -1.543505 ESP Fit Center 2276 is at 6.381259 1.892425 -1.543505 ESP Fit Center 2277 is at 6.688721 1.584963 -1.543505 ESP Fit Center 2278 is at 7.108721 1.472425 -1.543505 ESP Fit Center 2279 is at 7.528721 1.584963 -1.543505 ESP Fit Center 2280 is at 7.836182 1.892425 -1.543505 ESP Fit Center 2281 is at 7.543537 2.312425 -1.711338 ESP Fit Center 2282 is at 7.326129 2.688986 -1.711338 ESP Fit Center 2283 is at 6.891313 2.688986 -1.711338 ESP Fit Center 2284 is at 6.673905 2.312425 -1.711338 ESP Fit Center 2285 is at 6.891313 1.935863 -1.711338 ESP Fit Center 2286 is at 7.326129 1.935863 -1.711338 ESP Fit Center 2287 is at 7.108721 2.312425 -1.768582 ESP Fit Center 2288 is at 7.469617 2.393814 3.306143 ESP Fit Center 2289 is at 7.904433 2.393814 3.248898 ESP Fit Center 2290 is at 7.687025 2.770376 3.248898 ESP Fit Center 2291 is at 7.252209 2.770376 3.248898 ESP Fit Center 2292 is at 7.034801 2.393814 3.248898 ESP Fit Center 2293 is at 7.252209 2.017253 3.248898 ESP Fit Center 2294 is at 7.687025 2.017253 3.248898 ESP Fit Center 2295 is at 8.309617 2.393814 3.081065 ESP Fit Center 2296 is at 8.197078 2.813814 3.081065 ESP Fit Center 2297 is at 7.889617 3.121276 3.081065 ESP Fit Center 2298 is at 7.469617 3.233814 3.081065 ESP Fit Center 2299 is at 7.049617 3.121276 3.081065 ESP Fit Center 2300 is at 6.742156 2.813814 3.081065 ESP Fit Center 2301 is at 6.629617 2.393814 3.081065 ESP Fit Center 2302 is at 6.742156 1.973814 3.081065 ESP Fit Center 2303 is at 7.049617 1.666353 3.081065 ESP Fit Center 2304 is at 7.469617 1.553814 3.081065 ESP Fit Center 2305 is at 7.889617 1.666353 3.081065 ESP Fit Center 2306 is at 8.197078 1.973814 3.081065 ESP Fit Center 2307 is at 8.657556 2.393814 2.814082 ESP Fit Center 2308 is at 8.577337 2.822948 2.814082 ESP Fit Center 2309 is at 8.347515 3.194124 2.814082 ESP Fit Center 2310 is at 7.999127 3.457214 2.814082 ESP Fit Center 2311 is at 7.579226 3.576686 2.814082 ESP Fit Center 2312 is at 7.144522 3.536405 2.814082 ESP Fit Center 2313 is at 6.753723 3.341811 2.814082 ESP Fit Center 2314 is at 6.459610 3.019184 2.814082 ESP Fit Center 2315 is at 7.579226 1.210943 2.814082 ESP Fit Center 2316 is at 7.999127 1.330415 2.814082 ESP Fit Center 2317 is at 8.347515 1.593505 2.814082 ESP Fit Center 2318 is at 8.577337 1.964681 2.814082 ESP Fit Center 2319 is at 8.924540 2.393814 2.466143 ESP Fit Center 2320 is at 8.859901 2.822660 2.466143 ESP Fit Center 2321 is at 8.671730 3.213402 2.466143 ESP Fit Center 2322 is at 8.376746 3.531319 2.466143 ESP Fit Center 2323 is at 8.001160 3.748164 2.466143 ESP Fit Center 2324 is at 7.578343 3.844669 2.466143 ESP Fit Center 2325 is at 7.145866 3.812259 2.466143 ESP Fit Center 2326 is at 6.742156 3.653814 2.466143 ESP Fit Center 2327 is at 8.001160 1.039465 2.466143 ESP Fit Center 2328 is at 8.376746 1.256310 2.466143 ESP Fit Center 2329 is at 8.671730 1.574227 2.466143 ESP Fit Center 2330 is at 8.859901 1.964968 2.466143 ESP Fit Center 2331 is at 9.092372 2.393814 2.060959 ESP Fit Center 2332 is at 9.037078 2.813814 2.060959 ESP Fit Center 2333 is at 8.874964 3.205192 2.060959 ESP Fit Center 2334 is at 8.617078 3.541276 2.060959 ESP Fit Center 2335 is at 8.280995 3.799162 2.060959 ESP Fit Center 2336 is at 7.889617 3.961276 2.060959 ESP Fit Center 2337 is at 7.469617 4.016570 2.060959 ESP Fit Center 2338 is at 7.049617 3.961276 2.060959 ESP Fit Center 2339 is at 8.280995 0.988467 2.060959 ESP Fit Center 2340 is at 8.617078 1.246353 2.060959 ESP Fit Center 2341 is at 8.874964 1.582437 2.060959 ESP Fit Center 2342 is at 9.037078 1.973814 2.060959 ESP Fit Center 2343 is at 9.149617 2.393814 1.626143 ESP Fit Center 2344 is at 9.096837 2.811613 1.626143 ESP Fit Center 2345 is at 8.941812 3.203161 1.626143 ESP Fit Center 2346 is at 8.694284 3.543854 1.626143 ESP Fit Center 2347 is at 8.369806 3.812285 1.626143 ESP Fit Center 2348 is at 7.988765 3.991589 1.626143 ESP Fit Center 2349 is at 7.575105 4.070499 1.626143 ESP Fit Center 2350 is at 7.154816 4.044057 1.626143 ESP Fit Center 2351 is at 8.694284 1.243775 1.626143 ESP Fit Center 2352 is at 8.941812 1.584468 1.626143 ESP Fit Center 2353 is at 9.096837 1.976015 1.626143 ESP Fit Center 2354 is at 9.092372 2.393814 1.191327 ESP Fit Center 2355 is at 9.037078 2.813814 1.191327 ESP Fit Center 2356 is at 8.874964 3.205192 1.191327 ESP Fit Center 2357 is at 8.617078 3.541276 1.191327 ESP Fit Center 2358 is at 8.280995 3.799162 1.191327 ESP Fit Center 2359 is at 7.889617 3.961276 1.191327 ESP Fit Center 2360 is at 8.874964 1.582437 1.191327 ESP Fit Center 2361 is at 9.037078 1.973814 1.191327 ESP Fit Center 2362 is at 8.924540 2.393814 0.786143 ESP Fit Center 2363 is at 8.859901 2.822660 0.786143 ESP Fit Center 2364 is at 8.671730 3.213402 0.786143 ESP Fit Center 2365 is at 8.376746 3.531319 0.786143 ESP Fit Center 2366 is at 8.859901 1.964968 0.786143 ESP Fit Center 2367 is at -4.580942 0.214523 2.617120 ESP Fit Center 2368 is at -6.793877 -2.000667 1.359508 ESP Fit Center 2369 is at -7.329647 -0.910533 0.441271 ESP Fit Center 2370 is at -7.351063 -0.499327 0.062119 ESP Fit Center 2371 is at -7.510414 -0.897367 0.062119 ESP Fit Center 2372 is at -7.258649 -0.143495 -0.341974 ESP Fit Center 2373 is at -7.475981 -0.507247 -0.341974 ESP Fit Center 2374 is at -7.624870 -0.903959 -0.341974 ESP Fit Center 2375 is at -5.029241 -3.874896 -0.341974 ESP Fit Center 2376 is at -4.616132 -3.780607 -0.341974 ESP Fit Center 2377 is at -7.601768 -0.711899 -0.758729 ESP Fit Center 2378 is at -7.710045 -1.115992 -0.758729 ESP Fit Center 2379 is at -4.929750 -3.896286 -0.758729 ESP Fit Center 2380 is at -7.591556 -1.318372 -1.579578 ESP Fit Center 2381 is at -7.414303 -1.743022 -1.958729 ESP Fit Center 2382 is at -5.867478 -3.544858 -1.958729 ESP Fit Center 2383 is at -3.938128 -0.350979 -2.301420 ESP Fit Center 2384 is at -7.172581 -1.746185 -2.301420 ESP Fit Center 2385 is at -7.074137 -2.161554 -2.301420 ESP Fit Center 2386 is at -6.882556 -2.543024 -2.301420 ESP Fit Center 2387 is at -6.608166 -2.870029 -2.301420 ESP Fit Center 2388 is at -6.265759 -3.124941 -2.301420 ESP Fit Center 2389 is at -5.873796 -3.294018 -2.301420 ESP Fit Center 2390 is at -4.028402 -0.731191 -2.597236 ESP Fit Center 2391 is at -4.293538 -0.405294 -2.597236 ESP Fit Center 2392 is at -6.874828 -1.742811 -2.597236 ESP Fit Center 2393 is at -6.761479 -2.147357 -2.597236 ESP Fit Center 2394 is at -6.543188 -2.506321 -2.597236 ESP Fit Center 2395 is at -6.236145 -2.793079 -2.597236 ESP Fit Center 2396 is at -5.863122 -2.986365 -2.597236 ESP Fit Center 2397 is at -4.427253 -0.761403 -2.837190 ESP Fit Center 2398 is at -6.474137 -1.943172 -2.837190 ESP Fit Center 2399 is at -6.265759 -2.304093 -2.837190 ESP Fit Center 2400 is at -5.946506 -2.571978 -2.837190 ESP Fit Center 2401 is at -5.554884 -2.714517 -2.837190 ESP Fit Center 2402 is at -4.635631 -1.122324 -3.013992 ESP Fit Center 2403 is at -6.057382 -1.943172 -3.013992 ESP Fit Center 2404 is at -5.756930 -2.243623 -3.013992 ESP Fit Center 2405 is at -5.763262 -1.532748 -3.122268 ESP Fit Center 2406 is at -5.554884 -1.893669 -3.122268 ESP Fit Center 2407 is at -5.346506 -1.532748 -3.158729 ESP Fit Center 2408 is at -4.243353 -1.964367 3.591142 ESP Fit Center 2409 is at -3.831754 -1.964367 3.553002 ESP Fit Center 2410 is at -4.037553 -1.607912 3.553002 ESP Fit Center 2411 is at -4.449152 -1.607912 3.553002 ESP Fit Center 2412 is at -4.654952 -1.964367 3.553002 ESP Fit Center 2413 is at -4.449152 -2.320822 3.553002 ESP Fit Center 2414 is at -4.037553 -2.320822 3.553002 ESP Fit Center 2415 is at -3.434172 -1.964367 3.439880 ESP Fit Center 2416 is at -3.542581 -1.559777 3.439880 ESP Fit Center 2417 is at -3.838762 -1.263596 3.439880 ESP Fit Center 2418 is at -4.243353 -1.155186 3.439880 ESP Fit Center 2419 is at -4.647944 -1.263596 3.439880 ESP Fit Center 2420 is at -4.944125 -1.559777 3.439880 ESP Fit Center 2421 is at -5.052534 -1.964367 3.439880 ESP Fit Center 2422 is at -4.243353 -2.773548 3.439880 ESP Fit Center 2423 is at -3.838762 -2.665139 3.439880 ESP Fit Center 2424 is at -3.542581 -2.368958 3.439880 ESP Fit Center 2425 is at -3.064145 -1.964367 3.255628 ESP Fit Center 2426 is at -3.143774 -1.538388 3.255628 ESP Fit Center 2427 is at -3.371908 -1.169940 3.255628 ESP Fit Center 2428 is at -3.717735 -0.908783 3.255628 ESP Fit Center 2429 is at -4.134549 -0.790189 3.255628 ESP Fit Center 2430 is at -4.566059 -0.830175 3.255628 ESP Fit Center 2431 is at -4.953985 -1.023339 3.255628 ESP Fit Center 2432 is at -5.245936 -1.343594 3.255628 ESP Fit Center 2433 is at -5.402483 -1.747688 3.255628 ESP Fit Center 2434 is at -4.134549 -3.138545 3.255628 ESP Fit Center 2435 is at -3.717735 -3.019951 3.255628 ESP Fit Center 2436 is at -3.371908 -2.758794 3.255628 ESP Fit Center 2437 is at -3.143774 -2.390346 3.255628 ESP Fit Center 2438 is at -2.734275 -1.964367 3.006522 ESP Fit Center 2439 is at -2.795403 -1.539211 3.006522 ESP Fit Center 2440 is at -2.973836 -1.148498 3.006522 ESP Fit Center 2441 is at -3.255117 -0.823882 3.006522 ESP Fit Center 2442 is at -3.616459 -0.591661 3.006522 ESP Fit Center 2443 is at -4.028589 -0.470649 3.006522 ESP Fit Center 2444 is at -4.458117 -0.470649 3.006522 ESP Fit Center 2445 is at -4.870247 -0.591661 3.006522 ESP Fit Center 2446 is at -5.231589 -0.823882 3.006522 ESP Fit Center 2447 is at -5.512870 -1.148498 3.006522 ESP Fit Center 2448 is at -5.691303 -1.539211 3.006522 ESP Fit Center 2449 is at -3.616459 -3.337073 3.006522 ESP Fit Center 2450 is at -3.255117 -3.104852 3.006522 ESP Fit Center 2451 is at -2.973836 -2.780236 3.006522 ESP Fit Center 2452 is at -2.795403 -2.389524 3.006522 ESP Fit Center 2453 is at -2.455794 -1.964367 2.701043 ESP Fit Center 2454 is at -2.503978 -1.552128 2.701043 ESP Fit Center 2455 is at -2.645932 -1.162112 2.701043 ESP Fit Center 2456 is at -2.874004 -0.815347 2.701043 ESP Fit Center 2457 is at -3.175897 -0.530525 2.701043 ESP Fit Center 2458 is at -3.535337 -0.323002 2.701043 ESP Fit Center 2459 is at -3.932947 -0.203966 2.701043 ESP Fit Center 2460 is at -3.535337 -3.605732 2.701043 ESP Fit Center 2461 is at -3.175897 -3.398209 2.701043 ESP Fit Center 2462 is at -2.874004 -3.113388 2.701043 ESP Fit Center 2463 is at -2.645932 -2.766622 2.701043 ESP Fit Center 2464 is at -2.503978 -2.376607 2.701043 ESP Fit Center 2465 is at -2.238187 -1.964367 2.349596 ESP Fit Center 2466 is at -2.282005 -1.547470 2.349596 ESP Fit Center 2467 is at -3.623723 -3.871393 2.349596 ESP Fit Center 2468 is at -3.240770 -3.700892 2.349596 ESP Fit Center 2469 is at -2.901635 -3.454496 2.349596 ESP Fit Center 2470 is at -2.621140 -3.142974 2.349596 ESP Fit Center 2471 is at -2.411543 -2.779942 2.349596 ESP Fit Center 2472 is at -2.282005 -2.381265 2.349596 ESP Fit Center 2473 is at -3.418865 -3.954856 1.964147 ESP Fit Center 2474 is at -3.046383 -3.755760 1.964147 ESP Fit Center 2475 is at -2.719899 -3.487821 1.964147 ESP Fit Center 2476 is at -2.451960 -3.161337 1.964147 ESP Fit Center 2477 is at -2.252864 -2.788855 1.964147 ESP Fit Center 2478 is at -2.130261 -2.384687 1.964147 ESP Fit Center 2479 is at -3.717506 -4.131939 1.557823 ESP Fit Center 2480 is at -3.316793 -3.993251 1.557823 ESP Fit Center 2481 is at -2.949568 -3.781234 1.557823 ESP Fit Center 2482 is at 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2519 is at 0.432107 3.459550 1.151716 ESP Fit Center 2520 is at 0.150826 3.784166 1.151716 ESP Fit Center 2521 is at -0.210517 4.016386 1.151716 ESP Fit Center 2522 is at -0.622646 4.137398 1.151716 ESP Fit Center 2523 is at -1.052175 4.137398 1.151716 ESP Fit Center 2524 is at -1.464304 4.016386 1.151716 ESP Fit Center 2525 is at 0.432107 1.827811 1.151716 ESP Fit Center 2526 is at 0.610539 2.218524 1.151716 ESP Fit Center 2527 is at 0.950148 2.643680 0.846238 ESP Fit Center 2528 is at 0.901964 3.055920 0.846238 ESP Fit Center 2529 is at 0.760010 3.445935 0.846238 ESP Fit Center 2530 is at 0.531939 3.792701 0.846238 ESP Fit Center 2531 is at 0.230045 4.077522 0.846238 ESP Fit Center 2532 is at -0.129395 4.285045 0.846238 ESP Fit Center 2533 is at -0.527004 4.404082 0.846238 ESP Fit Center 2534 is at -0.941348 4.428215 0.846238 ESP Fit Center 2535 is at -1.350088 4.356143 0.846238 ESP Fit Center 2536 is at -1.731190 4.191751 0.846238 ESP Fit Center 2537 is at 0.760010 1.841425 0.846238 ESP Fit Center 2538 is at 0.901964 2.231441 0.846238 ESP Fit Center 2539 is at 1.167755 2.643680 0.494790 ESP Fit Center 2540 is at 1.123938 3.060578 0.494790 ESP Fit Center 2541 is at 0.994400 3.459255 0.494790 ESP Fit Center 2542 is at 0.784803 3.822287 0.494790 ESP Fit Center 2543 is at 0.504307 4.133809 0.494790 ESP Fit Center 2544 is at 0.165172 4.380205 0.494790 ESP Fit Center 2545 is at -0.217780 4.550706 0.494790 ESP Fit Center 2546 is at -0.627814 4.637862 0.494790 ESP Fit Center 2547 is at -1.047007 4.637862 0.494790 ESP Fit Center 2548 is at -1.457041 4.550706 0.494790 ESP Fit Center 2549 is at -1.839993 4.380205 0.494790 ESP Fit Center 2550 is at 1.123938 2.226783 0.494790 ESP Fit Center 2551 is at 1.317079 2.643680 0.109341 ESP Fit Center 2552 is at 1.275681 3.064000 0.109341 ESP Fit Center 2553 is at 1.153078 3.468168 0.109341 ESP Fit Center 2554 is at 0.953982 3.840650 0.109341 ESP Fit Center 2555 is at 0.686044 4.167134 0.109341 ESP Fit Center 2556 is at 0.359560 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Fit Center 2575 is at 1.393034 2.643680 -0.710345 ESP Fit Center 2576 is at 1.352727 3.065795 -0.710345 ESP Fit Center 2577 is at 1.233263 3.472653 -0.710345 ESP Fit Center 2578 is at 1.038959 3.849550 -0.710345 ESP Fit Center 2579 is at 0.776838 4.182863 -0.710345 ESP Fit Center 2580 is at 0.456374 4.460547 -0.710345 ESP Fit Center 2581 is at 0.089150 4.672564 -0.710345 ESP Fit Center 2582 is at -0.311563 4.811252 -0.710345 ESP Fit Center 2583 is at -0.731282 4.871599 -0.710345 ESP Fit Center 2584 is at -1.154836 4.851422 -0.710345 ESP Fit Center 2585 is at -1.566917 4.751452 -0.710345 ESP Fit Center 2586 is at -1.952633 4.575302 -0.710345 ESP Fit Center 2587 is at 1.317079 2.643680 -1.116669 ESP Fit Center 2588 is at 1.275681 3.064000 -1.116669 ESP Fit Center 2589 is at 1.153078 3.468168 -1.116669 ESP Fit Center 2590 is at 0.953982 3.840650 -1.116669 ESP Fit Center 2591 is at 0.686044 4.167134 -1.116669 ESP Fit Center 2592 is at 0.359560 4.435073 -1.116669 ESP Fit Center 2593 is at 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3.445935 -1.853565 ESP Fit Center 2612 is at 0.531939 3.792701 -1.853565 ESP Fit Center 2613 is at 0.230045 4.077522 -1.853565 ESP Fit Center 2614 is at -0.129395 4.285045 -1.853565 ESP Fit Center 2615 is at -0.527004 4.404082 -1.853565 ESP Fit Center 2616 is at -0.941348 4.428215 -1.853565 ESP Fit Center 2617 is at -1.350088 4.356143 -1.853565 ESP Fit Center 2618 is at -1.731190 4.191751 -1.853565 ESP Fit Center 2619 is at -2.064108 3.943903 -1.853565 ESP Fit Center 2620 is at -2.330894 3.625960 -1.853565 ESP Fit Center 2621 is at 0.610539 3.068837 -2.159044 ESP Fit Center 2622 is at 0.432107 3.459550 -2.159044 ESP Fit Center 2623 is at 0.150826 3.784166 -2.159044 ESP Fit Center 2624 is at -0.210517 4.016386 -2.159044 ESP Fit Center 2625 is at -0.622646 4.137398 -2.159044 ESP Fit Center 2626 is at -1.052175 4.137398 -2.159044 ESP Fit Center 2627 is at -1.464304 4.016386 -2.159044 ESP Fit Center 2628 is at -1.825647 3.784166 -2.159044 ESP Fit Center 2629 is at -2.106928 3.459550 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Center 2703 is at -2.365960 1.097557 2.032960 ESP Fit Center 2704 is at -1.912992 3.264241 1.793006 ESP Fit Center 2705 is at -2.256222 3.506520 1.793006 ESP Fit Center 2706 is at -2.652090 3.647211 1.793006 ESP Fit Center 2707 is at -3.071237 3.675882 1.793006 ESP Fit Center 2708 is at -3.482575 3.590405 1.793006 ESP Fit Center 2709 is at -3.855599 3.397119 1.793006 ESP Fit Center 2710 is at -1.868080 3.611497 1.497190 ESP Fit Center 2711 is at -2.237765 3.824934 1.497190 ESP Fit Center 2712 is at -4.227620 3.474069 1.497190 ESP Fit Center 2713 is at -1.866529 3.900662 1.154500 ESP Fit Center 2714 is at -4.502010 3.147064 -1.588191 ESP Fit Center 2715 is at -2.652090 3.647211 -1.884007 ESP Fit Center 2716 is at -3.855599 3.397119 -1.884007 ESP Fit Center 2717 is at -4.162642 3.110361 -1.884007 ESP Fit Center 2718 is at -4.380933 2.751397 -1.884007 ESP Fit Center 2719 is at -2.365960 3.176018 -2.123961 ESP Fit Center 2720 is at -2.757582 3.318557 -2.123961 ESP Fit Center 2721 is at 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1.775867 -2.409039 ESP Fit Center 2740 is at -2.965960 2.136788 -2.445500 ESP Fit Center 2741 is at -4.029193 1.318179 2.613780 ESP Fit Center 2742 is at -3.612437 1.318179 2.577319 ESP Fit Center 2743 is at -3.820815 1.679100 2.577319 ESP Fit Center 2744 is at -4.237570 1.679100 2.577319 ESP Fit Center 2745 is at -4.445948 1.318179 2.577319 ESP Fit Center 2746 is at -4.237570 0.957258 2.577319 ESP Fit Center 2747 is at -3.820815 0.957258 2.577319 ESP Fit Center 2748 is at -3.208344 1.318179 2.469042 ESP Fit Center 2749 is at -3.318317 1.728603 2.469042 ESP Fit Center 2750 is at -3.618769 2.029055 2.469042 ESP Fit Center 2751 is at -4.029193 2.139028 2.469042 ESP Fit Center 2752 is at -4.439617 2.029055 2.469042 ESP Fit Center 2753 is at -4.740068 0.907755 2.469042 ESP Fit Center 2754 is at -2.829193 1.318179 2.292241 ESP Fit Center 2755 is at -3.820815 2.499948 2.292241 ESP Fit Center 2756 is at -4.237570 2.499948 2.292241 ESP Fit Center 2757 is at -4.134470 2.857273 2.052287 ESP Fit Center 2758 is at -4.629193 2.357410 -1.864681 ESP Fit Center 2759 is at -4.948446 2.089524 -1.864681 ESP Fit Center 2760 is at -5.229193 1.318179 -1.864681 ESP Fit Center 2761 is at -4.439617 2.029055 -2.041482 ESP Fit Center 2762 is at -4.740068 1.728603 -2.041482 ESP Fit Center 2763 is at -4.850041 1.318179 -2.041482 ESP Fit Center 2764 is at -4.740068 0.907755 -2.041482 ESP Fit Center 2765 is at -4.439617 0.607304 -2.041482 ESP Fit Center 2766 is at -4.029193 0.497331 -2.041482 ESP Fit Center 2767 is at -3.618769 0.607304 -2.041482 ESP Fit Center 2768 is at -4.237570 1.679100 -2.149759 ESP Fit Center 2769 is at -4.445948 1.318179 -2.149759 ESP Fit Center 2770 is at -4.237570 0.957258 -2.149759 ESP Fit Center 2771 is at -3.820815 0.957258 -2.149759 ESP Fit Center 2772 is at -4.029193 1.318179 -2.186220 ESP Fit Center 2773 is at -5.144021 1.737438 2.586779 ESP Fit Center 2774 is at -4.732422 1.737438 2.548639 ESP Fit Center 2775 is at -4.938222 2.093893 2.548639 ESP Fit Center 2776 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2.251266 ESP Fit Center 2795 is at -6.303151 1.520759 2.251266 ESP Fit Center 2796 is at -6.146604 1.116665 2.251266 ESP Fit Center 2797 is at -4.517128 3.110144 2.002159 ESP Fit Center 2798 is at -4.929257 3.231156 2.002159 ESP Fit Center 2799 is at -5.358786 3.231156 2.002159 ESP Fit Center 2800 is at -5.770915 3.110144 2.002159 ESP Fit Center 2801 is at -6.132257 2.877923 2.002159 ESP Fit Center 2802 is at -6.413539 2.553307 2.002159 ESP Fit Center 2803 is at -6.591971 2.162594 2.002159 ESP Fit Center 2804 is at -6.653100 1.737438 2.002159 ESP Fit Center 2805 is at -6.591971 1.312282 2.002159 ESP Fit Center 2806 is at -4.436006 3.378803 1.696681 ESP Fit Center 2807 is at -4.833615 3.497840 1.696681 ESP Fit Center 2808 is at -5.247959 3.521972 1.696681 ESP Fit Center 2809 is at -5.656699 3.449900 1.696681 ESP Fit Center 2810 is at -6.037801 3.285509 1.696681 ESP Fit Center 2811 is at -6.370718 3.037661 1.696681 ESP Fit Center 2812 is at -6.637505 2.719718 1.696681 ESP Fit Center 2813 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ESP Fit Center 2887 is at -6.975831 0.921864 -0.651674 ESP Fit Center 2888 is at -5.247959 3.521972 -1.003122 ESP Fit Center 2889 is at -5.656699 3.449900 -1.003122 ESP Fit Center 2890 is at -6.037801 3.285509 -1.003122 ESP Fit Center 2891 is at -6.370718 3.037661 -1.003122 ESP Fit Center 2892 is at -6.637505 2.719718 -1.003122 ESP Fit Center 2893 is at -6.823777 2.348819 -1.003122 ESP Fit Center 2894 is at -6.919493 1.944961 -1.003122 ESP Fit Center 2895 is at -6.919493 1.529915 -1.003122 ESP Fit Center 2896 is at -6.823777 1.126057 -1.003122 ESP Fit Center 2897 is at -4.929257 3.231156 -1.308600 ESP Fit Center 2898 is at -5.358786 3.231156 -1.308600 ESP Fit Center 2899 is at -5.770915 3.110144 -1.308600 ESP Fit Center 2900 is at -6.132257 2.877923 -1.308600 ESP Fit Center 2901 is at -6.413539 2.553307 -1.308600 ESP Fit Center 2902 is at -6.591971 2.162594 -1.308600 ESP Fit Center 2903 is at -6.653100 1.737438 -1.308600 ESP Fit Center 2904 is at -6.591971 1.312282 -1.308600 ESP Fit Center 2905 is at -5.035218 2.911616 -1.557707 ESP Fit Center 2906 is at -5.466727 2.871631 -1.557707 ESP Fit Center 2907 is at -5.854653 2.678466 -1.557707 ESP Fit Center 2908 is at -6.146604 2.358211 -1.557707 ESP Fit Center 2909 is at -6.303151 1.954117 -1.557707 ESP Fit Center 2910 is at -6.303151 1.520759 -1.557707 ESP Fit Center 2911 is at -5.144021 2.546619 -1.741958 ESP Fit Center 2912 is at -5.548612 2.438210 -1.741958 ESP Fit Center 2913 is at -5.844793 2.142029 -1.741958 ESP Fit Center 2914 is at -5.953203 1.737438 -1.741958 ESP Fit Center 2915 is at -5.844793 1.332847 -1.741958 ESP Fit Center 2916 is at -5.349821 2.093893 -1.855080 ESP Fit Center 2917 is at -5.555620 1.737438 -1.855080 ESP Fit Center 2918 is at -5.349821 1.380983 -1.855080 ESP Fit Center 2919 is at -5.144021 1.737438 -1.893221 ESP Fit Center 2920 is at -3.708901 -0.013936 2.692523 ESP Fit Center 2921 is at -3.292146 -0.013936 2.656062 ESP Fit Center 2922 is at -3.500524 0.346985 2.656062 ESP Fit Center 2923 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Fit Center 3014 is at -4.954856 0.616983 2.566742 ESP Fit Center 3015 is at -5.345531 0.759177 2.566742 ESP Fit Center 3016 is at -5.761280 0.759177 2.566742 ESP Fit Center 3017 is at -6.151956 0.616983 2.566742 ESP Fit Center 3018 is at -6.470438 0.349745 2.566742 ESP Fit Center 3019 is at -6.678312 -0.010304 2.566742 ESP Fit Center 3020 is at -6.750506 -0.419737 2.566742 ESP Fit Center 3021 is at -6.678312 -0.829169 2.566742 ESP Fit Center 3022 is at -6.470438 -1.189218 2.566742 ESP Fit Center 3023 is at -6.151956 -1.456456 2.566742 ESP Fit Center 3024 is at -6.176992 0.945727 2.262726 ESP Fit Center 3025 is at -6.536428 0.714732 2.262726 ESP Fit Center 3026 is at -6.816225 0.391828 2.262726 ESP Fit Center 3027 is at -6.993716 0.003177 2.262726 ESP Fit Center 3028 is at -7.054522 -0.419737 2.262726 ESP Fit Center 3029 is at -6.993716 -0.842650 2.262726 ESP Fit Center 3030 is at -6.816225 -1.231301 2.262726 ESP Fit Center 3031 is at -6.536428 -1.554205 2.262726 ESP Fit Center 3032 is 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3393 is at -3.591415 -0.632767 -2.144591 ESP Fit Center 3394 is at -5.187504 -3.673862 -2.144591 ESP Fit Center 3395 is at -4.782599 -3.773662 -2.144591 ESP Fit Center 3396 is at -4.365576 -3.773662 -2.144591 ESP Fit Center 3397 is at -3.960670 -3.673862 -2.144591 ESP Fit Center 3398 is at -3.591415 -3.480061 -2.144591 ESP Fit Center 3399 is at -3.279268 -3.203524 -2.144591 ESP Fit Center 3400 is at -3.042372 -2.860320 -2.144591 ESP Fit Center 3401 is at -2.894494 -2.470397 -2.144591 ESP Fit Center 3402 is at -3.072971 -2.056414 -2.508635 ESP Fit Center 3403 is at -3.133777 -1.633501 -2.508635 ESP Fit Center 3404 is at -3.311268 -1.244849 -2.508635 ESP Fit Center 3405 is at -3.591065 -0.921946 -2.508635 ESP Fit Center 3406 is at -5.557110 -3.190882 -2.508635 ESP Fit Center 3407 is at -5.197674 -3.421878 -2.508635 ESP Fit Center 3408 is at -4.787719 -3.542251 -2.508635 ESP Fit Center 3409 is at -4.360456 -3.542251 -2.508635 ESP Fit Center 3410 is at -3.950501 -3.421878 -2.508635 ESP Fit Center 3411 is at -3.591065 -3.190882 -2.508635 ESP Fit Center 3412 is at -3.311268 -2.867979 -2.508635 ESP Fit Center 3413 is at -3.133777 -2.479328 -2.508635 ESP Fit Center 3414 is at -3.376987 -2.056414 -2.812651 ESP Fit Center 3415 is at -3.449181 -1.646982 -2.812651 ESP Fit Center 3416 is at -3.657055 -1.286933 -2.812651 ESP Fit Center 3417 is at -3.975537 -1.019695 -2.812651 ESP Fit Center 3418 is at -5.491119 -2.825896 -2.812651 ESP Fit Center 3419 is at -5.172638 -3.093134 -2.812651 ESP Fit Center 3420 is at -4.781962 -3.235328 -2.812651 ESP Fit Center 3421 is at -4.366213 -3.235328 -2.812651 ESP Fit Center 3422 is at -3.975537 -3.093134 -2.812651 ESP Fit Center 3423 is at -3.657055 -2.825896 -2.812651 ESP Fit Center 3424 is at -3.449181 -2.465847 -2.812651 ESP Fit Center 3425 is at -3.741031 -2.056414 -3.041395 ESP Fit Center 3426 is at -3.852639 -1.639886 -3.041395 ESP Fit Center 3427 is at -4.157559 -1.334966 -3.041395 ESP Fit Center 3428 is at -4.574087 -1.223357 -3.041395 ESP Fit Center 3429 is at -5.295536 -2.472943 -3.041395 ESP Fit Center 3430 is at -4.990616 -2.777863 -3.041395 ESP Fit Center 3431 is at -4.574087 -2.889471 -3.041395 ESP Fit Center 3432 is at -4.157559 -2.777863 -3.041395 ESP Fit Center 3433 is at -3.852639 -2.472943 -3.041395 ESP Fit Center 3434 is at -4.146847 -2.056414 -3.183396 ESP Fit Center 3435 is at -4.360467 -1.686413 -3.183396 ESP Fit Center 3436 is at -4.787707 -1.686413 -3.183396 ESP Fit Center 3437 is at -5.001328 -2.056414 -3.183396 ESP Fit Center 3438 is at -4.787707 -2.426415 -3.183396 ESP Fit Center 3439 is at -4.360467 -2.426415 -3.183396 ESP Fit Center 3440 is at -4.574087 -2.056414 -3.231534 ESP Fit Center 3441 is at -4.910768 -2.604175 3.478127 ESP Fit Center 3442 is at -5.124389 -2.234175 3.429988 ESP Fit Center 3443 is at -5.338009 -2.604175 3.429988 ESP Fit Center 3444 is at -5.124389 -2.974176 3.429988 ESP Fit Center 3445 is at -4.697148 -2.974176 3.429988 ESP Fit Center 3446 is at -5.632217 -2.187647 3.287987 ESP Fit Center 3447 is at -5.743825 -2.604175 3.287987 ESP Fit Center 3448 is at -5.632217 -3.020704 3.287987 ESP Fit Center 3449 is at -5.327297 -3.325624 3.287987 ESP Fit Center 3450 is at -4.910768 -3.437232 3.287987 ESP Fit Center 3451 is at -4.494240 -3.325624 3.287987 ESP Fit Center 3452 is at -5.827801 -1.834694 3.059243 ESP Fit Center 3453 is at -6.035675 -2.194743 3.059243 ESP Fit Center 3454 is at -6.107869 -2.604175 3.059243 ESP Fit Center 3455 is at -6.035675 -3.013608 3.059243 ESP Fit Center 3456 is at -5.827801 -3.373657 3.059243 ESP Fit Center 3457 is at -5.509319 -3.640895 3.059243 ESP Fit Center 3458 is at -5.118643 -3.783089 3.059243 ESP Fit Center 3459 is at -4.702894 -3.783089 3.059243 ESP Fit Center 3460 is at -4.312218 -3.640895 3.059243 ESP Fit Center 3461 is at -6.173588 -1.792611 2.755227 ESP Fit Center 3462 is at -6.351079 -2.181262 2.755227 ESP Fit Center 3463 is at -6.411885 -2.604175 2.755227 ESP Fit Center 3464 is at -6.351079 -3.027089 2.755227 ESP Fit Center 3465 is at -6.173588 -3.415740 2.755227 ESP Fit Center 3466 is at -5.893791 -3.738644 2.755227 ESP Fit Center 3467 is at -5.534355 -3.969639 2.755227 ESP Fit Center 3468 is at -5.124400 -4.090013 2.755227 ESP Fit Center 3469 is at -4.697137 -4.090013 2.755227 ESP Fit Center 3470 is at -4.287182 -3.969639 2.755227 ESP Fit Center 3471 is at -3.927746 -3.738644 2.755227 ESP Fit Center 3472 is at -6.442484 -1.800269 2.391184 ESP Fit Center 3473 is at -6.590362 -2.190193 2.391184 ESP Fit Center 3474 is at -6.640629 -2.604175 2.391184 ESP Fit Center 3475 is at -6.590362 -3.018158 2.391184 ESP Fit Center 3476 is at -6.442484 -3.408082 2.391184 ESP Fit Center 3477 is at -6.205587 -3.751285 2.391184 ESP Fit Center 3478 is at -5.893441 -4.027823 2.391184 ESP Fit Center 3479 is at -5.524185 -4.221623 2.391184 ESP Fit Center 3480 is at -5.119280 -4.321423 2.391184 ESP Fit Center 3481 is at -4.702257 -4.321423 2.391184 ESP Fit Center 3482 is at -4.297352 -4.221623 2.391184 ESP Fit Center 3483 is at -3.928096 -4.027823 2.391184 ESP Fit Center 3484 is at -6.597257 -1.792005 1.985367 ESP Fit Center 3485 is at -6.735699 -2.187647 1.985367 ESP Fit Center 3486 is at -6.782630 -2.604175 1.985367 ESP Fit Center 3487 is at -6.735699 -3.020704 1.985367 ESP Fit Center 3488 is at -6.597257 -3.416346 1.985367 ESP Fit Center 3489 is at -6.374249 -3.771262 1.985367 ESP Fit Center 3490 is at -6.077855 -4.067656 1.985367 ESP Fit Center 3491 is at -5.722939 -4.290664 1.985367 ESP Fit Center 3492 is at -5.327297 -4.429106 1.985367 ESP Fit Center 3493 is at -4.910768 -4.476037 1.985367 ESP Fit Center 3494 is at -4.494240 -4.429106 1.985367 ESP Fit Center 3495 is at -4.098598 -4.290664 1.985367 ESP Fit Center 3496 is at -3.743682 -4.067656 1.985367 ESP Fit Center 3497 is at -6.730263 -1.991117 1.558127 ESP Fit Center 3498 is at -6.819513 -2.396587 1.558127 ESP Fit Center 3499 is at -6.819513 -2.811764 1.558127 ESP Fit Center 3500 is at -6.730263 -3.217234 1.558127 ESP Fit Center 3501 is at -6.555934 -3.594039 1.558127 ESP Fit Center 3502 is at -6.304680 -3.924558 1.558127 ESP Fit Center 3503 is at -5.988248 -4.193338 1.558127 ESP Fit Center 3504 is at -5.621434 -4.387811 1.558127 ESP Fit Center 3505 is at -5.221390 -4.498882 1.558127 ESP Fit Center 3506 is at -4.806822 -4.521360 1.558127 ESP Fit Center 3507 is at -4.397114 -4.454191 1.558127 ESP Fit Center 3508 is at -4.011424 -4.300519 1.558127 ESP Fit Center 3509 is at -6.735699 -3.020704 1.130887 ESP Fit Center 3510 is at -6.597257 -3.416346 1.130887 ESP Fit Center 3511 is at -6.374249 -3.771262 1.130887 ESP Fit Center 3512 is at -6.077855 -4.067656 1.130887 ESP Fit Center 3513 is at -5.722939 -4.290664 1.130887 ESP Fit Center 3514 is at -5.327297 -4.429106 1.130887 ESP Fit Center 3515 is at -4.910768 -4.476037 1.130887 ESP Fit Center 3516 is at -4.494240 -4.429106 1.130887 ESP Fit Center 3517 is at -4.098598 -4.290664 1.130887 ESP Fit Center 3518 is at -6.205587 -3.751285 0.725070 ESP Fit Center 3519 is at 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2.616397 ESP Fit Center 3538 is at 0.279947 0.023079 2.616397 ESP Fit Center 3539 is at 1.806430 -0.357133 2.376443 ESP Fit Center 3540 is at 1.541293 -0.031237 2.376443 ESP Fit Center 3541 is at 1.198063 0.211042 2.376443 ESP Fit Center 3542 is at 0.802195 0.351733 2.376443 ESP Fit Center 3543 is at 0.383048 0.380404 2.376443 ESP Fit Center 3544 is at -0.028290 0.294926 2.376443 ESP Fit Center 3545 is at 1.896703 0.023079 2.080627 ESP Fit Center 3546 is at 1.586205 0.316019 2.080627 ESP Fit Center 3547 is at 1.216520 0.529456 2.080627 ESP Fit Center 3548 is at 0.807578 0.651885 2.080627 ESP Fit Center 3549 is at 0.381425 0.676706 2.080627 ESP Fit Center 3550 is at -0.038965 0.602580 2.080627 ESP Fit Center 3551 is at -0.430928 0.433503 2.080627 ESP Fit Center 3552 is at 1.920316 0.347763 1.737936 ESP Fit Center 3553 is at 1.587756 0.605184 1.737936 ESP Fit Center 3554 is at 1.210186 0.790391 1.737936 ESP Fit Center 3555 is at 0.803062 0.895803 1.737936 ESP Fit Center 3556 is at 1.796506 0.678392 1.358785 ESP Fit Center 3557 is at 1.425195 0.892768 1.358785 ESP Fit Center 3558 is at 0.167368 -3.390997 1.358785 ESP Fit Center 3559 is at 1.961967 0.689199 0.954692 ESP Fit Center 3560 is at -0.440605 -3.332030 0.954692 ESP Fit Center 3561 is at -0.037612 -3.462970 0.954692 ESP Fit Center 3562 is at -1.054365 -2.997197 0.537936 ESP Fit Center 3563 is at -0.711675 -3.237151 0.537936 ESP Fit Center 3564 is at -0.332523 -3.413953 0.537936 ESP Fit Center 3565 is at 0.071570 -3.522229 0.537936 ESP Fit Center 3566 is at -0.813741 -3.131236 0.121181 ESP Fit Center 3567 is at -0.440605 -3.332030 0.121181 ESP Fit Center 3568 is at -0.037612 -3.462970 0.121181 ESP Fit Center 3569 is at -0.988558 -2.863104 -0.282912 ESP Fit Center 3570 is at -0.639306 -3.111805 -0.282912 ESP Fit Center 3571 is at -0.249299 -3.289915 -0.282912 ESP Fit Center 3572 is at 0.167368 -3.390997 -0.282912 ESP Fit Center 3573 is at -0.783913 -2.802287 -0.662064 ESP Fit Center 3574 is at -0.427017 -3.024742 -0.662064 ESP Fit Center 3575 is at -0.032646 -3.170801 -0.662064 ESP Fit Center 3576 is at -0.773335 -2.495972 -1.004754 ESP Fit Center 3577 is at -0.430928 -2.750884 -1.004754 ESP Fit Center 3578 is at -0.038965 -2.919960 -1.004754 ESP Fit Center 3579 is at -0.401314 -2.419022 -1.300570 ESP Fit Center 3580 is at -0.028290 -2.612307 -1.300570 ESP Fit Center 3581 is at 0.279947 -2.340460 -1.540525 ESP Fit Center 3582 is at 1.957749 -1.339794 2.728365 ESP Fit Center 3583 is at 1.540993 -1.339794 2.728365 ESP Fit Center 3584 is at 1.332615 -1.700715 2.728365 ESP Fit Center 3585 is at 2.460246 -1.290291 2.620088 ESP Fit Center 3586 is at 2.159795 -0.989840 2.620088 ESP Fit Center 3587 is at 1.749371 -0.879867 2.620088 ESP Fit Center 3588 is at 2.877002 -1.290291 2.443287 ESP Fit Center 3589 is at 2.668624 -0.929370 2.443287 ESP Fit Center 3590 is at 2.349371 -0.661485 2.443287 ESP Fit Center 3591 is at 1.957749 -0.518946 2.443287 ESP Fit Center 3592 is at 3.067475 -0.899158 2.203333 ESP Fit Center 3593 is at 2.802339 -0.573262 2.203333 ESP Fit Center 3594 is at 2.459109 -0.330983 2.203333 ESP Fit Center 3595 is at 2.063241 -0.190292 2.203333 ESP Fit Center 3596 is at 3.157749 -0.518946 1.907516 ESP Fit Center 3597 is at 2.847251 -0.226006 1.907516 ESP Fit Center 3598 is at 2.477566 -0.012569 1.907516 ESP Fit Center 3599 is at 2.068624 0.109860 1.907516 ESP Fit Center 3600 is at 3.181362 -0.194262 1.564826 ESP Fit Center 3601 is at 2.848802 0.063159 1.564826 ESP Fit Center 3602 is at 2.471231 0.248366 1.564826 ESP Fit Center 3603 is at 2.064108 0.353778 1.564826 ESP Fit Center 3604 is at 2.686241 0.350743 1.185674 ESP Fit Center 3605 is at 2.281069 0.490975 1.185674 ESP Fit Center 3606 is at 2.066636 0.641433 0.781582 ESP Fit Center 3607 is at 0.447305 -3.673261 0.781582 ESP Fit Center 3608 is at 0.820441 -3.874055 0.781582 ESP Fit Center 3609 is at 0.206681 -3.539222 0.364826 ESP Fit Center 3610 is at 0.549371 -3.779176 0.364826 ESP Fit Center 3611 is at 0.928523 -3.955978 0.364826 ESP Fit Center 3612 is at 0.447305 -3.673261 -0.051930 ESP Fit Center 3613 is at 0.820441 -3.874055 -0.051930 ESP Fit Center 3614 is at 1.223434 -4.004995 -0.051930 ESP Fit Center 3615 is at 1.643331 -4.061874 -0.051930 ESP Fit Center 3616 is at 2.066636 -4.042863 -0.051930 ESP Fit Center 3617 is at 0.272488 -3.405129 -0.456022 ESP Fit Center 3618 is at 0.621740 -3.653830 -0.456022 ESP Fit Center 3619 is at 1.011747 -3.831940 -0.456022 ESP Fit Center 3620 is at 1.428414 -3.933022 -0.456022 ESP Fit Center 3621 is at 1.856681 -3.953423 -0.456022 ESP Fit Center 3622 is at 0.477132 -3.344312 -0.835174 ESP Fit Center 3623 is at 0.834029 -3.566767 -0.835174 ESP Fit Center 3624 is at 1.228399 -3.712826 -0.835174 ESP Fit Center 3625 is at 1.644099 -3.776509 -0.835174 ESP Fit Center 3626 is at 2.064108 -3.755208 -0.835174 ESP Fit Center 3627 is at 0.487711 -3.037997 -1.177864 ESP Fit Center 3628 is at 0.830118 -3.292909 -1.177864 ESP Fit Center 3629 is at 1.222081 -3.461985 -1.177864 ESP Fit Center 3630 is at 1.642471 -3.536111 -1.177864 ESP Fit Center 3631 is at 0.552689 -2.674289 -1.473681 ESP Fit Center 3632 is at 0.859732 -2.961047 -1.473681 ESP Fit Center 3633 is at 1.232755 -3.154332 -1.473681 ESP Fit Center 3634 is at 2.469006 0.554138 0.871794 ESP Fit Center 3635 is at 1.448274 -3.234373 -1.491744 ESP Fit Center 3636 is at 1.838281 -3.412483 -1.491744 ESP Fit Center 3637 is at 0.758610 -2.289940 -1.870896 ESP Fit Center 3638 is at 0.998856 -2.635111 -1.870896 ESP Fit Center 3639 is at 1.303667 -2.924855 -1.870896 ESP Fit Center 3640 is at 1.660563 -3.147310 -1.870896 ESP Fit Center 3641 is at 2.054934 -3.293369 -1.870896 ESP Fit Center 3642 is at 1.314246 -2.618540 -2.213586 ESP Fit Center 3643 is at 1.656652 -2.873452 -2.213586 ESP Fit Center 3644 is at 2.048616 -3.042529 -2.213586 ESP Fit Center 3645 is at 1.686266 -2.541590 -2.509403 ESP Fit Center 3646 is at 2.059290 -2.734875 -2.509403 ESP Fit Center 3647 is at 2.470629 -2.820353 -2.509403 ESP Fit Center 3648 is at 2.367528 -2.463028 -2.749357 ESP Fit Center 3649 is at 2.297084 0.878845 0.548781 ESP Fit Center 3650 is at 2.402576 1.207499 0.308826 ESP Fit Center 3651 is at 2.407960 1.507651 0.013010 ESP Fit Center 3652 is at 2.810567 1.646157 -0.329680 ESP Fit Center 3653 is at 2.403443 1.751568 -0.329680 ESP Fit Center 3654 is at 3.025576 1.748534 -0.708832 ESP Fit Center 3655 is at 2.620404 1.888765 -0.708832 ESP Fit Center 3656 is at 3.208713 1.778397 -1.112925 ESP Fit Center 3657 is at 2.819080 1.944934 -1.112925 ESP Fit Center 3658 is at 2.405972 2.039223 -1.112925 ESP Fit Center 3659 is at 3.631396 1.535582 -1.529680 ESP Fit Center 3660 is at 3.288706 1.775536 -1.529680 ESP Fit Center 3661 is at 2.909555 1.952338 -1.529680 ESP Fit Center 3662 is at 2.505462 2.060614 -1.529680 ESP Fit Center 3663 is at 2.819080 1.944934 -1.946436 ESP Fit Center 3664 is at 2.405972 2.039223 -1.946436 ESP Fit Center 3665 is at 0.786640 -2.275471 -1.946436 ESP Fit Center 3666 is at 2.196016 1.949783 -2.350529 ESP Fit Center 3667 is at 0.611824 -2.007338 -2.350529 ESP Fit Center 3668 is at 0.961075 -2.256039 -2.350529 ESP Fit Center 3669 is at 0.816468 -1.946521 -2.729680 ESP Fit Center 3670 is at 1.173364 -2.168976 -2.729680 ESP Fit Center 3671 is at 1.567735 -2.315035 -2.729680 ESP Fit Center 3672 is at 1.983434 -2.378718 -2.729680 ESP Fit Center 3673 is at 0.827046 -1.640206 -3.072370 ESP Fit Center 3674 is at 1.169453 -1.895118 -3.072370 ESP Fit Center 3675 is at 1.561417 -2.064195 -3.072370 ESP Fit Center 3676 is at 1.981807 -2.138321 -3.072370 ESP Fit Center 3677 is at 2.407960 -2.113500 -3.072370 ESP Fit Center 3678 is at 2.816902 -1.991071 -3.072370 ESP Fit Center 3679 is at 0.892024 -1.276498 -3.368187 ESP Fit Center 3680 is at 1.199067 -1.563256 -3.368187 ESP Fit Center 3681 is at 1.572091 -1.756541 -3.368187 ESP Fit Center 3682 is at 1.983429 -1.842018 -3.368187 ESP Fit Center 3683 is at 2.402576 -1.813348 -3.368187 ESP Fit Center 3684 is at 2.798444 -1.672656 -3.368187 ESP Fit Center 3685 is at 0.961075 -0.713349 -3.608141 ESP Fit Center 3686 is at 1.169453 -1.074270 -3.608141 ESP Fit Center 3687 is at 1.488706 -1.342155 -3.608141 ESP Fit Center 3688 is at 1.880328 -1.484694 -3.608141 ESP Fit Center 3689 is at 2.297084 -1.484694 -3.608141 ESP Fit Center 3690 is at 1.377831 0.107500 -3.784943 ESP Fit Center 3691 is at 1.267858 -0.302925 -3.784943 ESP Fit Center 3692 is at 1.377831 -0.713349 -3.784943 ESP Fit Center 3693 is at 1.678282 -1.013800 -3.784943 ESP Fit Center 3694 is at 2.088706 -1.123773 -3.784943 ESP Fit Center 3695 is at 2.143869 1.040035 0.472390 ESP Fit Center 3696 is at 1.878733 1.365932 0.472390 ESP Fit Center 3697 is at 1.535503 1.608210 0.472390 ESP Fit Center 3698 is at 2.234143 1.420248 0.176573 ESP Fit Center 3699 is at 1.923645 1.713187 0.176573 ESP Fit Center 3700 is at 1.553960 1.926625 0.176573 ESP Fit Center 3701 is at 2.257756 1.744932 -0.166117 ESP Fit Center 3702 is at 1.925196 2.002352 -0.166117 ESP Fit Center 3703 is at 1.547625 2.187560 -0.166117 ESP Fit Center 3704 is at 2.133945 2.075561 -0.545269 ESP Fit Center 3705 is at 1.762635 2.289937 -0.545269 ESP Fit Center 3706 is at 2.299407 2.086367 -0.949361 ESP Fit Center 3707 is at 1.945772 2.319800 -0.949361 ESP Fit Center 3708 is at 1.556138 2.486337 -0.949361 ESP Fit Center 3709 is at 2.368455 2.076985 -1.366117 ESP Fit Center 3710 is at 2.025765 2.316939 -1.366117 ESP Fit Center 3711 is at 1.646613 2.493741 -1.366117 ESP Fit Center 3712 is at 2.299407 2.086367 -1.782873 ESP Fit Center 3713 is at 1.945772 2.319800 -1.782873 ESP Fit Center 3714 is at 2.133945 2.075561 -2.186965 ESP Fit Center 3715 is at -0.301866 -1.714636 -2.186965 ESP Fit Center 3716 is at 0.088141 -1.892746 -2.186965 ESP Fit Center 3717 is at 0.504807 -1.993829 -2.186965 ESP Fit Center 3718 is at -1.242032 0.028204 -2.566117 ESP Fit Center 3719 is at -1.157376 -0.383736 -2.566117 ESP Fit Center 3720 is at -0.991531 -0.770203 -2.566117 ESP Fit Center 3721 is at -0.751284 -1.115374 -2.566117 ESP Fit Center 3722 is at -0.446474 -1.405118 -2.566117 ESP Fit Center 3723 is at -0.089577 -1.627573 -2.566117 ESP Fit Center 3724 is at 0.304793 -1.773632 -2.566117 ESP Fit Center 3725 is at -1.000311 0.025041 -2.908807 ESP Fit Center 3726 is at -0.901866 -0.390328 -2.908807 ESP Fit Center 3727 is at -0.710285 -0.771798 -2.908807 ESP Fit Center 3728 is at -0.435895 -1.098803 -2.908807 ESP Fit Center 3729 is at -0.093489 -1.353715 -2.908807 ESP Fit Center 3730 is at 0.298475 -1.522792 -2.908807 ESP Fit Center 3731 is at -0.702557 0.028415 -3.204624 ESP Fit Center 3732 is at -0.589208 -0.376131 -3.204624 ESP Fit Center 3733 is at -0.370917 -0.735095 -3.204624 ESP Fit Center 3734 is at -0.063874 -1.021853 -3.204624 ESP Fit Center 3735 is at 0.309149 -1.215138 -3.204624 ESP Fit Center 3736 is at -0.301866 -0.171946 -3.444578 ESP Fit Center 3737 is at -0.093489 -0.532867 -3.444578 ESP Fit Center 3738 is at 0.225765 -0.800752 -3.444578 ESP Fit Center 3739 is at 0.617387 -0.943291 -3.444578 ESP Fit Center 3740 is at 0.114889 -0.171946 -3.621379 ESP Fit Center 3741 is at 0.415341 -0.472397 -3.621379 ESP Fit Center 3742 is at 0.825765 -0.582370 -3.621379 ESP Fit Center 3743 is at 1.242520 0.238478 -3.729656 ESP Fit Center 3744 is at 0.617387 -0.122443 -3.729656 ESP Fit Center 3745 is at 1.034143 -0.122443 -3.729656 ESP Fit Center 3746 is at -0.115248 -1.485114 3.286514 ESP Fit Center 3747 is at 0.311992 -1.485114 3.238375 ESP Fit Center 3748 is at 0.098372 -1.115113 3.238375 ESP Fit Center 3749 is at -0.328868 -1.115113 3.238375 ESP Fit Center 3750 is at -0.542488 -1.485114 3.238375 ESP Fit Center 3751 is at -0.328868 -1.855115 3.238375 ESP Fit Center 3752 is at 0.098372 -1.855115 3.238375 ESP Fit Center 3753 is at 0.717809 -1.485114 3.096374 ESP Fit Center 3754 is at 0.606201 -1.068586 3.096374 ESP Fit Center 3755 is at 0.301281 -0.763666 3.096374 ESP Fit Center 3756 is at -0.115248 -0.652057 3.096374 ESP Fit Center 3757 is at -0.531776 -0.763666 3.096374 ESP Fit Center 3758 is at -0.836696 -1.068586 3.096374 ESP Fit Center 3759 is at -0.948305 -1.485114 3.096374 ESP Fit Center 3760 is at -0.836696 -1.901643 3.096374 ESP Fit Center 3761 is at -0.531776 -2.206563 3.096374 ESP Fit Center 3762 is at -0.115248 -2.318171 3.096374 ESP Fit Center 3763 is at 0.301281 -2.206563 3.096374 ESP Fit Center 3764 is at 0.606201 -1.901643 3.096374 ESP Fit Center 3765 is at 1.081853 -1.485114 2.867630 ESP Fit Center 3766 is at 0.483302 -0.448395 2.867630 ESP Fit Center 3767 is at 0.092627 -0.306200 2.867630 ESP Fit Center 3768 is at -0.323122 -0.306200 2.867630 ESP Fit Center 3769 is at -0.713798 -0.448395 2.867630 ESP Fit Center 3770 is at -1.032280 -0.715633 2.867630 ESP Fit Center 3771 is at -1.240154 -1.075682 2.867630 ESP Fit Center 3772 is at -1.312348 -1.485114 2.867630 ESP Fit Center 3773 is at -1.240154 -1.894547 2.867630 ESP Fit Center 3774 is at -1.032280 -2.254596 2.867630 ESP Fit Center 3775 is at -0.713798 -2.521834 2.867630 ESP Fit Center 3776 is at -0.323122 -2.664028 2.867630 ESP Fit Center 3777 is at 0.092627 -2.664028 2.867630 ESP Fit Center 3778 is at 0.483302 -2.521834 2.867630 ESP Fit Center 3779 is at 0.801784 -2.254596 2.867630 ESP Fit Center 3780 is at 1.009659 -1.894547 2.867630 ESP Fit Center 3781 is at -0.328879 0.000723 2.563614 ESP Fit Center 3782 is at -0.738834 -0.119651 2.563614 ESP Fit Center 3783 is at -1.098270 -0.350646 2.563614 ESP Fit Center 3784 is at -1.378067 -0.673549 2.563614 ESP Fit Center 3785 is at -1.555558 -1.062201 2.563614 ESP Fit Center 3786 is at -1.616364 -1.485114 2.563614 ESP Fit Center 3787 is at -1.555558 -1.908028 2.563614 ESP Fit Center 3788 is at -1.378067 -2.296679 2.563614 ESP Fit Center 3789 is at -1.098270 -2.619582 2.563614 ESP Fit Center 3790 is at -0.738834 -2.850578 2.563614 ESP Fit Center 3791 is at -0.328879 -2.970951 2.563614 ESP Fit Center 3792 is at 0.098383 -2.970951 2.563614 ESP Fit Center 3793 is at 0.508339 -2.850578 2.563614 ESP Fit Center 3794 is at 0.867774 -2.619582 2.563614 ESP Fit Center 3795 is at -0.728665 0.132333 2.199571 ESP Fit Center 3796 is at -1.097920 -0.061467 2.199571 ESP Fit Center 3797 is at -1.845108 -1.485114 2.199571 ESP Fit Center 3798 is at -1.794841 -1.899097 2.199571 ESP Fit Center 3799 is at -1.646963 -2.289020 2.199571 ESP Fit Center 3800 is at -1.410067 -2.632224 2.199571 ESP Fit Center 3801 is at -1.097920 -2.908761 2.199571 ESP Fit Center 3802 is at -0.728665 -3.102562 2.199571 ESP Fit Center 3803 is at -0.323759 -3.202362 2.199571 ESP Fit Center 3804 is at 0.093264 -3.202362 2.199571 ESP Fit Center 3805 is at 0.498169 -3.102562 2.199571 ESP Fit Center 3806 is at -1.578728 -2.652201 1.793754 ESP Fit Center 3807 is at -1.282334 -2.948595 1.793754 ESP Fit Center 3808 is at -0.927418 -3.171603 1.793754 ESP Fit Center 3809 is at -0.531776 -3.310044 1.793754 ESP Fit Center 3810 is at -0.115248 -3.356976 1.793754 ESP Fit Center 3811 is at 0.301281 -3.310044 1.793754 ESP Fit Center 3812 is at -1.509159 -2.805497 1.366514 ESP Fit Center 3813 is at -1.192727 -3.074277 1.366514 ESP Fit Center 3814 is at -0.825913 -3.268750 1.366514 ESP Fit Center 3815 is at -0.425869 -3.379821 1.366514 ESP Fit Center 3816 is at -0.011301 -3.402298 1.366514 ESP Fit Center 3817 is at -1.282334 -2.948595 0.939274 ESP Fit Center 3818 is at -0.927418 -3.171603 0.939274 ESP Fit Center 3819 is at -0.531776 -3.310044 0.939274 ESP Fit Center 3820 is at 2.094944 -2.454398 2.971741 ESP Fit Center 3821 is at 2.522184 -2.454398 2.923603 ESP Fit Center 3822 is at 2.308564 -2.084397 2.923603 ESP Fit Center 3823 is at 1.881324 -2.084397 2.923603 ESP Fit Center 3824 is at 1.667704 -2.454398 2.923603 ESP Fit Center 3825 is at 1.881324 -2.824399 2.923603 ESP Fit Center 3826 is at 2.308564 -2.824399 2.923603 ESP Fit Center 3827 is at 2.928001 -2.454398 2.781601 ESP Fit Center 3828 is at 2.816392 -2.037869 2.781601 ESP Fit Center 3829 is at 2.511472 -1.732949 2.781601 ESP Fit Center 3830 is at 2.094944 -1.621341 2.781601 ESP Fit Center 3831 is at 1.678415 -1.732949 2.781601 ESP Fit Center 3832 is at 1.373496 -2.037869 2.781601 ESP Fit Center 3833 is at 1.261887 -2.454398 2.781601 ESP Fit Center 3834 is at 1.373496 -2.870926 2.781601 ESP Fit Center 3835 is at 1.678415 -3.175846 2.781601 ESP Fit Center 3836 is at 2.094944 -3.287454 2.781601 ESP Fit Center 3837 is at 2.511472 -3.175846 2.781601 ESP Fit Center 3838 is at 2.816392 -2.870926 2.781601 ESP Fit Center 3839 is at 3.292044 -2.454398 2.552858 ESP Fit Center 3840 is at 3.219850 -2.044965 2.552858 ESP Fit Center 3841 is at 3.011976 -1.684916 2.552858 ESP Fit Center 3842 is at 0.970037 -2.863830 2.552858 ESP Fit Center 3843 is at 1.177912 -3.223879 2.552858 ESP Fit Center 3844 is at 1.496394 -3.491117 2.552858 ESP Fit Center 3845 is at 1.887070 -3.633311 2.552858 ESP Fit Center 3846 is at 2.302818 -3.633311 2.552858 ESP Fit Center 3847 is at 2.693494 -3.491117 2.552858 ESP Fit Center 3848 is at 3.011976 -3.223879 2.552858 ESP Fit Center 3849 is at 3.219850 -2.863830 2.552858 ESP Fit Center 3850 is at 0.832124 -3.265962 2.248842 ESP Fit Center 3851 is at 1.111922 -3.588866 2.248842 ESP Fit Center 3852 is at 1.471358 -3.819861 2.248842 ESP Fit Center 3853 is at 1.881313 -3.940235 2.248842 ESP Fit Center 3854 is at 2.308575 -3.940235 2.248842 ESP Fit Center 3855 is at 2.718530 -3.819861 2.248842 ESP Fit Center 3856 is at 3.077966 -3.588866 2.248842 ESP Fit Center 3857 is at 3.357763 -3.265962 2.248842 ESP Fit Center 3858 is at 3.535255 -2.877311 2.248842 ESP Fit Center 3859 is at 0.563229 -3.258304 1.884798 ESP Fit Center 3860 is at 0.800125 -3.601507 1.884798 ESP Fit Center 3861 is at 1.112271 -3.878045 1.884798 ESP Fit Center 3862 is at 1.481527 -4.071845 1.884798 ESP Fit Center 3863 is at 1.886432 -4.171645 1.884798 ESP Fit Center 3864 is at 2.303455 -4.171645 1.884798 ESP Fit Center 3865 is at 2.708361 -4.071845 1.884798 ESP Fit Center 3866 is at 3.077616 -3.878045 1.884798 ESP Fit Center 3867 is at 3.389763 -3.601507 1.884798 ESP Fit Center 3868 is at 3.626659 -3.258304 1.884798 ESP Fit Center 3869 is at 0.631464 -3.621484 1.478981 ESP Fit Center 3870 is at 0.927857 -3.917878 1.478981 ESP Fit Center 3871 is at 1.282774 -4.140887 1.478981 ESP Fit Center 3872 is at 1.678415 -4.279328 1.478981 ESP Fit Center 3873 is at 2.094944 -4.326259 1.478981 ESP Fit Center 3874 is at 2.511472 -4.279328 1.478981 ESP Fit Center 3875 is at 2.907114 -4.140887 1.478981 ESP Fit Center 3876 is at 3.262030 -3.917878 1.478981 ESP Fit Center 3877 is at 3.558424 -3.621484 1.478981 ESP Fit Center 3878 is at 3.781433 -3.266568 1.478981 ESP Fit Center 3879 is at 0.701033 -3.774781 1.051741 ESP Fit Center 3880 is at 1.017465 -4.043561 1.051741 ESP Fit Center 3881 is at 1.384279 -4.238033 1.051741 ESP Fit Center 3882 is at 1.784322 -4.349105 1.051741 ESP Fit Center 3883 is at 2.198891 -4.371582 1.051741 ESP Fit Center 3884 is at 2.608598 -4.304414 1.051741 ESP Fit Center 3885 is at 2.994288 -4.150741 1.051741 ESP Fit Center 3886 is at 3.337926 -3.917749 1.051741 ESP Fit Center 3887 is at 3.623443 -3.616332 1.051741 ESP Fit Center 3888 is at 1.282774 -4.140887 0.624501 ESP Fit Center 3889 is at 1.678415 -4.279328 0.624501 ESP Fit Center 3890 is at 2.094944 -4.326259 0.624501 ESP Fit Center 3891 is at 2.511472 -4.279328 0.624501 ESP Fit Center 3892 is at 2.907114 -4.140887 0.624501 ESP Fit Center 3893 is at 1.886432 -4.171645 0.218684 ESP Fit Center 3894 is at 2.303455 -4.171645 0.218684 ESP Fit Center 3895 is at 5.743046 -3.421647 -1.256687 ESP Fit Center 3896 is at 5.595343 -3.422892 -1.660780 ESP Fit Center 3897 is at 5.860380 -3.085870 -1.660780 ESP Fit Center 3898 is at 5.395123 -3.373037 -2.039931 ESP Fit Center 3899 is at 5.669057 -3.053942 -2.039931 ESP Fit Center 3900 is at 2.701473 -3.203864 -2.382622 ESP Fit Center 3901 is at 2.766450 -2.840156 -2.678438 ESP Fit Center 3902 is at 3.073493 -3.126915 -2.678438 ESP Fit Center 3903 is at 3.446517 -3.320200 -2.678438 ESP Fit Center 3904 is at 3.857856 -3.405677 -2.678438 ESP Fit Center 3905 is at 2.835501 -2.277007 -2.918392 ESP Fit Center 3906 is at 3.043879 -2.637928 -2.918392 ESP Fit Center 3907 is at 4.166626 1.210034 -1.915400 ESP Fit Center 3908 is at 3.870232 1.506427 -1.915400 ESP Fit Center 3909 is at 3.515316 1.729436 -1.915400 ESP Fit Center 3910 is at 3.119674 1.867877 -1.915400 ESP Fit Center 3911 is at 4.231644 1.204881 -2.342640 ESP Fit Center 3912 is at 3.946127 1.506298 -2.342640 ESP Fit Center 3913 is at 3.602490 1.739290 -2.342640 ESP Fit Center 3914 is at 3.216800 1.892963 -2.342640 ESP Fit Center 3915 is at 2.807092 1.960131 -2.342640 ESP Fit Center 3916 is at 2.392524 1.937654 -2.342640 ESP Fit Center 3917 is at 4.575007 0.042947 -2.769880 ESP Fit Center 3918 is at 4.528076 0.459475 -2.769880 ESP Fit Center 3919 is at 4.389635 0.855117 -2.769880 ESP Fit Center 3920 is at 4.166626 1.210034 -2.769880 ESP Fit Center 3921 is at 3.870232 1.506427 -2.769880 ESP Fit Center 3922 is at 3.515316 1.729436 -2.769880 ESP Fit Center 3923 is at 3.119674 1.867877 -2.769880 ESP Fit Center 3924 is at 2.703146 1.914809 -2.769880 ESP Fit Center 3925 is at 2.286617 1.867877 -2.769880 ESP Fit Center 3926 is at 4.433006 0.042947 -3.175697 ESP Fit Center 3927 is at 4.382739 0.456930 -3.175697 ESP Fit Center 3928 is at 4.234861 0.846853 -3.175697 ESP Fit Center 3929 is at 3.997965 1.190056 -3.175697 ESP Fit Center 3930 is at 3.685818 1.466594 -3.175697 ESP Fit Center 3931 is at 3.316563 1.660394 -3.175697 ESP Fit Center 3932 is at 2.911657 1.760195 -3.175697 ESP Fit Center 3933 is at 2.494634 1.760195 -3.175697 ESP Fit Center 3934 is at 2.089729 1.660394 -3.175697 ESP Fit Center 3935 is at 4.204262 0.042947 -3.539741 ESP Fit Center 3936 is at 4.143456 0.465860 -3.539741 ESP Fit Center 3937 is at 3.965965 0.854512 -3.539741 ESP Fit Center 3938 is at 3.686168 1.177415 -3.539741 ESP Fit Center 3939 is at 3.326732 1.408410 -3.539741 ESP Fit Center 3940 is at 2.916777 1.528784 -3.539741 ESP Fit Center 3941 is at 2.489515 1.528784 -3.539741 ESP Fit Center 3942 is at 2.079559 1.408410 -3.539741 ESP Fit Center 3943 is at 1.720124 1.177415 -3.539741 ESP Fit Center 3944 is at 2.916777 -1.442890 -3.539741 ESP Fit Center 3945 is at 3.326732 -1.322517 -3.539741 ESP Fit Center 3946 is at 3.965965 -0.768618 -3.539741 ESP Fit Center 3947 is at 4.143456 -0.379966 -3.539741 ESP Fit Center 3948 is at 3.900246 0.042947 -3.843757 ESP Fit Center 3949 is at 3.828052 0.452379 -3.843757 ESP Fit Center 3950 is at 3.620178 0.812428 -3.843757 ESP Fit Center 3951 is at 3.301696 1.079666 -3.843757 ESP Fit Center 3952 is at 2.911020 1.221861 -3.843757 ESP Fit Center 3953 is at 2.495271 1.221861 -3.843757 ESP Fit Center 3954 is at 2.104596 1.079666 -3.843757 ESP Fit Center 3955 is at 1.786114 0.812428 -3.843757 ESP Fit Center 3956 is at 1.578239 0.452379 -3.843757 ESP Fit Center 3957 is at 1.506045 0.042947 -3.843757 ESP Fit Center 3958 is at 2.104596 -0.993772 -3.843757 ESP Fit Center 3959 is at 2.495271 -1.135967 -3.843757 ESP Fit Center 3960 is at 2.911020 -1.135967 -3.843757 ESP Fit Center 3961 is at 3.301696 -0.993772 -3.843757 ESP Fit Center 3962 is at 3.620178 -0.726534 -3.843757 ESP Fit Center 3963 is at 3.828052 -0.366486 -3.843757 ESP Fit Center 3964 is at 3.536203 0.042947 -4.072501 ESP Fit Center 3965 is at 3.424594 0.459475 -4.072501 ESP Fit Center 3966 is at 3.119674 0.764395 -4.072501 ESP Fit Center 3967 is at 2.703146 0.876004 -4.072501 ESP Fit Center 3968 is at 2.286617 0.764395 -4.072501 ESP Fit Center 3969 is at 1.981697 0.459475 -4.072501 ESP Fit Center 3970 is at 1.870089 0.042947 -4.072501 ESP Fit Center 3971 is at 1.981697 -0.373581 -4.072501 ESP Fit Center 3972 is at 2.286617 -0.678501 -4.072501 ESP Fit Center 3973 is at 2.703146 -0.790110 -4.072501 ESP Fit Center 3974 is at 3.119674 -0.678501 -4.072501 ESP Fit Center 3975 is at 3.424594 -0.373581 -4.072501 ESP Fit Center 3976 is at 3.130386 0.042947 -4.214502 ESP Fit Center 3977 is at 2.916766 0.412948 -4.214502 ESP Fit Center 3978 is at 2.489526 0.412948 -4.214502 ESP Fit Center 3979 is at 2.275906 0.042947 -4.214502 ESP Fit Center 3980 is at 2.489526 -0.327054 -4.214502 ESP Fit Center 3981 is at 2.916766 -0.327054 -4.214502 ESP Fit Center 3982 is at 2.703146 0.042947 -4.262640 ESP Fit Center 3983 is at 1.297069 2.685187 -1.614794 ESP Fit Center 3984 is at 1.727880 2.462049 -2.042034 ESP Fit Center 3985 is at 1.384243 2.695041 -2.042034 ESP Fit Center 3986 is at 0.998553 2.848714 -2.042034 ESP Fit Center 3987 is at 1.948379 2.165784 -2.469274 ESP Fit Center 3988 is at 1.651985 2.462178 -2.469274 ESP Fit Center 3989 is at 1.297069 2.685187 -2.469274 ESP Fit Center 3990 is at 0.901427 2.823628 -2.469274 ESP Fit Center 3991 is at 0.484898 2.870559 -2.469274 ESP Fit Center 3992 is at 2.016614 1.802604 -2.875091 ESP Fit Center 3993 is at 1.779717 2.145807 -2.875091 ESP Fit Center 3994 is at 1.467571 2.422345 -2.875091 ESP Fit Center 3995 is at 1.098315 2.616145 -2.875091 ESP Fit Center 3996 is at 0.693410 2.715945 -2.875091 ESP Fit Center 3997 is at 0.276387 2.715945 -2.875091 ESP Fit Center 3998 is at -0.128518 2.616145 -2.875091 ESP Fit Center 3999 is at -0.497774 2.422345 -2.875091 ESP Fit Center 4000 is at -0.809921 2.145807 -2.875091 ESP Fit Center 4001 is at -1.046817 1.802604 -2.875091 ESP Fit Center 4002 is at -1.194695 1.412680 -2.875091 ESP Fit Center 4003 is at -1.244962 0.998698 -2.875091 ESP Fit Center 4004 is at -1.194695 0.584715 -2.875091 ESP Fit Center 4005 is at -1.046817 0.194791 -2.875091 ESP Fit Center 4006 is at 1.747718 1.810262 -3.239134 ESP Fit Center 4007 is at 1.467921 2.133166 -3.239134 ESP Fit Center 4008 is at 1.108485 2.364161 -3.239134 ESP Fit Center 4009 is at 0.698530 2.484535 -3.239134 ESP Fit Center 4010 is at 0.271267 2.484535 -3.239134 ESP Fit Center 4011 is at -0.138688 2.364161 -3.239134 ESP Fit Center 4012 is at -0.498124 2.133166 -3.239134 ESP Fit Center 4013 is at -0.777921 1.810262 -3.239134 ESP Fit Center 4014 is at -0.955412 1.421611 -3.239134 ESP Fit Center 4015 is at -1.016218 0.998698 -3.239134 ESP Fit Center 4016 is at -0.955412 0.575784 -3.239134 ESP Fit Center 4017 is at -0.777921 0.187133 -3.239134 ESP Fit Center 4018 is at 1.609805 1.408130 -3.543150 ESP Fit Center 4019 is at 1.401931 1.768179 -3.543150 ESP Fit Center 4020 is at 1.083449 2.035417 -3.543150 ESP Fit Center 4021 is at 0.692773 2.177611 -3.543150 ESP Fit Center 4022 is at 0.277024 2.177611 -3.543150 ESP Fit Center 4023 is at -0.113652 2.035417 -3.543150 ESP Fit Center 4024 is at -0.432134 1.768179 -3.543150 ESP Fit Center 4025 is at -0.640008 1.408130 -3.543150 ESP Fit Center 4026 is at -0.712202 0.998698 -3.543150 ESP Fit Center 4027 is at -0.640008 0.589265 -3.543150 ESP Fit Center 4028 is at -0.432134 0.229216 -3.543150 ESP Fit Center 4029 is at 1.317955 0.998698 -3.771894 ESP Fit Center 4030 is at 1.206347 1.415226 -3.771894 ESP Fit Center 4031 is at 0.901427 1.720146 -3.771894 ESP Fit Center 4032 is at 0.484898 1.831754 -3.771894 ESP Fit Center 4033 is at 0.068370 1.720146 -3.771894 ESP Fit Center 4034 is at -0.236550 1.415226 -3.771894 ESP Fit Center 4035 is at -0.348158 0.998698 -3.771894 ESP Fit Center 4036 is at -0.236550 0.582169 -3.771894 ESP Fit Center 4037 is at 0.068370 0.277249 -3.771894 ESP Fit Center 4038 is at 0.484898 0.165641 -3.771894 ESP Fit Center 4039 is at 0.901427 0.277249 -3.771894 ESP Fit Center 4040 is at 1.206347 0.582169 -3.771894 ESP Fit Center 4041 is at 0.912139 0.998698 -3.913896 ESP Fit Center 4042 is at 0.698519 1.368698 -3.913896 ESP Fit Center 4043 is at 0.271278 1.368698 -3.913896 ESP Fit Center 4044 is at 0.057658 0.998698 -3.913896 ESP Fit Center 4045 is at 0.271278 0.628697 -3.913896 ESP Fit Center 4046 is at 0.698519 0.628697 -3.913896 ESP Fit Center 4047 is at 0.484898 0.998698 -3.962034 ESP Fit Center 4048 is at 6.316156 -2.153151 2.013534 ESP Fit Center 4049 is at 6.483535 -1.767807 2.013534 ESP Fit Center 4050 is at 5.312789 -3.406087 1.375027 ESP Fit Center 4051 is at 4.677095 -3.583901 0.995876 ESP Fit Center 4052 is at 5.105362 -3.604302 0.995876 ESP Fit Center 4053 is at 5.315317 -3.693742 0.591783 ESP Fit Center 4054 is at 4.129284 0.135333 2.116860 ESP Fit Center 4055 is at 5.008327 2.367640 -0.782449 ESP Fit Center 4056 is at 5.224012 2.211126 -1.161601 ESP Fit Center 4057 is at 4.808313 2.147443 -1.161601 ESP Fit Center 4058 is at 4.410031 1.727526 -1.504291 ESP Fit Center 4059 is at 3.901524 -3.781096 0.979095 ESP Fit Center 4060 is at 4.318052 -3.669488 0.979095 ESP Fit Center 4061 is at 3.302974 -3.984759 0.750351 ESP Fit Center 4062 is at 3.693650 -4.126953 0.750351 ESP Fit Center 4063 is at 4.109398 -4.126953 0.750351 ESP Fit Center 4064 is at 4.500074 -3.984759 0.750351 ESP Fit Center 4065 is at 4.818556 -3.717521 0.750351 ESP Fit Center 4066 is at 2.918502 -4.082507 0.446335 ESP Fit Center 4067 is at 3.277938 -4.313503 0.446335 ESP Fit Center 4068 is at 3.687893 -4.433877 0.446335 ESP Fit Center 4069 is at 4.115155 -4.433877 0.446335 ESP Fit Center 4070 is at 4.525110 -4.313503 0.446335 ESP Fit Center 4071 is at 4.884546 -4.082507 0.446335 ESP Fit Center 4072 is at 5.164343 -3.759604 0.446335 ESP Fit Center 4073 is at 2.606705 -4.095149 0.082292 ESP Fit Center 4074 is at 2.918851 -4.371686 0.082292 ESP Fit Center 4075 is at 3.288107 -4.565487 0.082292 ESP Fit Center 4076 is at 3.693012 -4.665287 0.082292 ESP Fit Center 4077 is at 4.110035 -4.665287 0.082292 ESP Fit Center 4078 is at 4.514941 -4.565487 0.082292 ESP Fit Center 4079 is at 4.884196 -4.371686 0.082292 ESP Fit Center 4080 is at 5.196343 -4.095149 0.082292 ESP Fit Center 4081 is at 2.438043 -4.115126 -0.323525 ESP Fit Center 4082 is at 2.734437 -4.411520 -0.323525 ESP Fit Center 4083 is at 3.089354 -4.634528 -0.323525 ESP Fit Center 4084 is at 3.484995 -4.772969 -0.323525 ESP Fit Center 4085 is at 3.901524 -4.819901 -0.323525 ESP Fit Center 4086 is at 4.318052 -4.772969 -0.323525 ESP Fit Center 4087 is at 4.713694 -4.634528 -0.323525 ESP Fit Center 4088 is at 5.068610 -4.411520 -0.323525 ESP Fit Center 4089 is at 5.365004 -4.115126 -0.323525 ESP Fit Center 4090 is at 2.256358 -3.937903 -0.750765 ESP Fit Center 4091 is at 2.507612 -4.268422 -0.750765 ESP Fit Center 4092 is at 2.824045 -4.537202 -0.750765 ESP Fit Center 4093 is at 3.190859 -4.731675 -0.750765 ESP Fit Center 4094 is at 3.590902 -4.842746 -0.750765 ESP Fit Center 4095 is at 4.005471 -4.865223 -0.750765 ESP Fit Center 4096 is at 4.415178 -4.798055 -0.750765 ESP Fit Center 4097 is at 4.800868 -4.644382 -0.750765 ESP Fit Center 4098 is at 5.144505 -4.411390 -0.750765 ESP Fit Center 4099 is at 5.430022 -4.109974 -0.750765 ESP Fit Center 4100 is at 5.644069 -3.754226 -0.750765 ESP Fit Center 4101 is at 2.215035 -3.760210 -1.178005 ESP Fit Center 4102 is at 2.438043 -4.115126 -1.178005 ESP Fit Center 4103 is at 2.734437 -4.411520 -1.178005 ESP Fit Center 4104 is at 3.089354 -4.634528 -1.178005 ESP Fit Center 4105 is at 3.484995 -4.772969 -1.178005 ESP Fit Center 4106 is at 3.901524 -4.819901 -1.178005 ESP Fit Center 4107 is at 4.318052 -4.772969 -1.178005 ESP Fit Center 4108 is at 4.713694 -4.634528 -1.178005 ESP Fit Center 4109 is at 5.068610 -4.411520 -1.178005 ESP Fit Center 4110 is at 5.365004 -4.115126 -1.178005 ESP Fit Center 4111 is at 5.588013 -3.760210 -1.178005 ESP Fit Center 4112 is at 2.369809 -3.751945 -1.583822 ESP Fit Center 4113 is at 2.606705 -4.095149 -1.583822 ESP Fit Center 4114 is at 2.918851 -4.371686 -1.583822 ESP Fit Center 4115 is at 3.288107 -4.565487 -1.583822 ESP Fit Center 4116 is at 3.693012 -4.665287 -1.583822 ESP Fit Center 4117 is at 4.110035 -4.665287 -1.583822 ESP Fit Center 4118 is at 4.514941 -4.565487 -1.583822 ESP Fit Center 4119 is at 4.884196 -4.371686 -1.583822 ESP Fit Center 4120 is at 5.196343 -4.095149 -1.583822 ESP Fit Center 4121 is at 5.433239 -3.751945 -1.583822 ESP Fit Center 4122 is at 2.638704 -3.759604 -1.947866 ESP Fit Center 4123 is at 2.918502 -4.082507 -1.947866 ESP Fit Center 4124 is at 3.277938 -4.313503 -1.947866 ESP Fit Center 4125 is at 3.687893 -4.433877 -1.947866 ESP Fit Center 4126 is at 4.115155 -4.433877 -1.947866 ESP Fit Center 4127 is at 4.525110 -4.313503 -1.947866 ESP Fit Center 4128 is at 4.884546 -4.082507 -1.947866 ESP Fit Center 4129 is at 5.164343 -3.759604 -1.947866 ESP Fit Center 4130 is at 2.984492 -3.717521 -2.251882 ESP Fit Center 4131 is at 3.302974 -3.984759 -2.251882 ESP Fit Center 4132 is at 3.693650 -4.126953 -2.251882 ESP Fit Center 4133 is at 4.109398 -4.126953 -2.251882 ESP Fit Center 4134 is at 4.500074 -3.984759 -2.251882 ESP Fit Center 4135 is at 4.818556 -3.717521 -2.251882 ESP Fit Center 4136 is at 3.484995 -3.669488 -2.480625 ESP Fit Center 4137 is at 3.901524 -3.781096 -2.480625 ESP Fit Center 4138 is at 4.318052 -3.669488 -2.480625 ESP Fit Center 4139 is at 6.061886 -2.468624 -1.845748 ESP Fit Center 4140 is at 6.194452 -2.075180 -1.845748 ESP Fit Center 4141 is at 6.191202 -1.662437 -2.272988 ESP Fit Center 4142 is at 6.144271 -1.245909 -2.272988 ESP Fit Center 4143 is at 5.486427 -3.125917 -2.272988 ESP Fit Center 4144 is at 5.782821 -2.829524 -2.272988 ESP Fit Center 4145 is at 6.005830 -2.474607 -2.272988 ESP Fit Center 4146 is at 6.144271 -2.078965 -2.272988 ESP Fit Center 4147 is at 6.049201 -1.662437 -2.678805 ESP Fit Center 4148 is at 5.998934 -1.248454 -2.678805 ESP Fit Center 4149 is at 5.851056 -0.858531 -2.678805 ESP Fit Center 4150 is at 4.527852 -3.379685 -2.678805 ESP Fit Center 4151 is at 4.932758 -3.279884 -2.678805 ESP Fit Center 4152 is at 5.302013 -3.086084 -2.678805 ESP Fit Center 4153 is at 5.614160 -2.809547 -2.678805 ESP Fit Center 4154 is at 5.851056 -2.466343 -2.678805 ESP Fit Center 4155 is at 5.998934 -2.076420 -2.678805 ESP Fit Center 4156 is at 5.820457 -1.662437 -3.042848 ESP Fit Center 4157 is at 5.759652 -1.239524 -3.042848 ESP Fit Center 4158 is at 5.582160 -0.850872 -3.042848 ESP Fit Center 4159 is at 5.302363 -0.527969 -3.042848 ESP Fit Center 4160 is at 4.942927 -0.296974 -3.042848 ESP Fit Center 4161 is at 4.532972 -0.176600 -3.042848 ESP Fit Center 4162 is at 2.879030 -2.085350 -3.042848 ESP Fit Center 4163 is at 3.056521 -2.474002 -3.042848 ESP Fit Center 4164 is at 3.336319 -2.796905 -3.042848 ESP Fit Center 4165 is at 3.695755 -3.027901 -3.042848 ESP Fit Center 4166 is at 4.105710 -3.148274 -3.042848 ESP Fit Center 4167 is at 4.532972 -3.148274 -3.042848 ESP Fit Center 4168 is at 4.942927 -3.027901 -3.042848 ESP Fit Center 4169 is at 5.302363 -2.796905 -3.042848 ESP Fit Center 4170 is at 5.582160 -2.474002 -3.042848 ESP Fit Center 4171 is at 5.759652 -2.085350 -3.042848 ESP Fit Center 4172 is at 5.516441 -1.662437 -3.346864 ESP Fit Center 4173 is at 5.444247 -1.253005 -3.346864 ESP Fit Center 4174 is at 5.236373 -0.892956 -3.346864 ESP Fit Center 4175 is at 4.917891 -0.625718 -3.346864 ESP Fit Center 4176 is at 4.527215 -0.483523 -3.346864 ESP Fit Center 4177 is at 3.122240 -1.662437 -3.346864 ESP Fit Center 4178 is at 3.194434 -2.071870 -3.346864 ESP Fit Center 4179 is at 3.402309 -2.431918 -3.346864 ESP Fit Center 4180 is at 3.720791 -2.699156 -3.346864 ESP Fit Center 4181 is at 4.111467 -2.841351 -3.346864 ESP Fit Center 4182 is at 4.527215 -2.841351 -3.346864 ESP Fit Center 4183 is at 4.917891 -2.699156 -3.346864 ESP Fit Center 4184 is at 5.236373 -2.431918 -3.346864 ESP Fit Center 4185 is at 5.444247 -2.071870 -3.346864 ESP Fit Center 4186 is at 5.152398 -1.662437 -3.575608 ESP Fit Center 4187 is at 5.040789 -1.245909 -3.575608 ESP Fit Center 4188 is at 4.735869 -0.940989 -3.575608 ESP Fit Center 4189 is at 4.319341 -0.829380 -3.575608 ESP Fit Center 4190 is at 3.902812 -0.940989 -3.575608 ESP Fit Center 4191 is at 3.597893 -1.245909 -3.575608 ESP Fit Center 4192 is at 3.486284 -1.662437 -3.575608 ESP Fit Center 4193 is at 3.597893 -2.078965 -3.575608 ESP Fit Center 4194 is at 3.902812 -2.383885 -3.575608 ESP Fit Center 4195 is at 4.319341 -2.495494 -3.575608 ESP Fit Center 4196 is at 4.735869 -2.383885 -3.575608 ESP Fit Center 4197 is at 5.040789 -2.078965 -3.575608 ESP Fit Center 4198 is at 4.746581 -1.662437 -3.717610 ESP Fit Center 4199 is at 4.532961 -1.292436 -3.717610 ESP Fit Center 4200 is at 4.105721 -1.292436 -3.717610 ESP Fit Center 4201 is at 3.892101 -1.662437 -3.717610 ESP Fit Center 4202 is at 4.105721 -2.032438 -3.717610 ESP Fit Center 4203 is at 4.532961 -2.032438 -3.717610 ESP Fit Center 4204 is at 4.319341 -1.662437 -3.765748 ESP Fit Center 4205 is at 4.641577 -1.551953 3.102944 ESP Fit Center 4206 is at 5.068817 -1.551953 3.054806 ESP Fit Center 4207 is at 4.855197 -1.181953 3.054806 ESP Fit Center 4208 is at 4.427957 -1.181953 3.054806 ESP Fit Center 4209 is at 4.214337 -1.551953 3.054806 ESP Fit Center 4210 is at 4.427957 -1.921954 3.054806 ESP Fit Center 4211 is at 4.855197 -1.921954 3.054806 ESP Fit Center 4212 is at 5.474634 -1.551953 2.912804 ESP Fit Center 4213 is at 4.641577 -0.718897 2.912804 ESP Fit Center 4214 is at 4.225049 -0.830505 2.912804 ESP Fit Center 4215 is at 3.920129 -1.135425 2.912804 ESP Fit Center 4216 is at 3.808520 -1.551953 2.912804 ESP Fit Center 4217 is at 3.920129 -1.968482 2.912804 ESP Fit Center 4218 is at 4.225049 -2.273402 2.912804 ESP Fit Center 4219 is at 4.641577 -2.385010 2.912804 ESP Fit Center 4220 is at 5.058105 -2.273402 2.912804 ESP Fit Center 4221 is at 5.363025 -1.968482 2.912804 ESP Fit Center 4222 is at 5.838678 -1.551953 2.684061 ESP Fit Center 4223 is at 4.043027 -0.515234 2.684061 ESP Fit Center 4224 is at 3.724545 -0.782472 2.684061 ESP Fit Center 4225 is at 3.516671 -1.142521 2.684061 ESP Fit Center 4226 is at 3.444477 -1.551953 2.684061 ESP Fit Center 4227 is at 3.516671 -1.961386 2.684061 ESP Fit Center 4228 is at 3.724545 -2.321435 2.684061 ESP Fit Center 4229 is at 4.043027 -2.588673 2.684061 ESP Fit Center 4230 is at 4.433703 -2.730867 2.684061 ESP Fit Center 4231 is at 4.849451 -2.730867 2.684061 ESP Fit Center 4232 is at 5.240127 -2.588673 2.684061 ESP Fit Center 4233 is at 5.558609 -2.321435 2.684061 ESP Fit Center 4234 is at 5.766484 -1.961386 2.684061 ESP Fit Center 4235 is at 6.142694 -1.551953 2.380045 ESP Fit Center 4236 is at 4.017991 -0.186490 2.380045 ESP Fit Center 4237 is at 3.658555 -0.417485 2.380045 ESP Fit Center 4238 is at 3.378758 -0.740389 2.380045 ESP Fit Center 4239 is at 3.201266 -1.129040 2.380045 ESP Fit Center 4240 is at 3.658555 -2.686422 2.380045 ESP Fit Center 4241 is at 4.017991 -2.917417 2.380045 ESP Fit Center 4242 is at 4.427946 -3.037791 2.380045 ESP Fit Center 4243 is at 4.855208 -3.037791 2.380045 ESP Fit Center 4244 is at 5.265163 -2.917417 2.380045 ESP Fit Center 4245 is at 5.624599 -2.686422 2.380045 ESP Fit Center 4246 is at 5.904397 -2.363518 2.380045 ESP Fit Center 4247 is at 6.081888 -1.974867 2.380045 ESP Fit Center 4248 is at 3.658904 -0.128306 2.016001 ESP Fit Center 4249 is at 3.346758 -0.404844 2.016001 ESP Fit Center 4250 is at 4.028160 -3.169401 2.016001 ESP Fit Center 4251 is at 4.433065 -3.269201 2.016001 ESP Fit Center 4252 is at 4.850089 -3.269201 2.016001 ESP Fit Center 4253 is at 5.254994 -3.169401 2.016001 ESP Fit Center 4254 is at 5.624250 -2.975601 2.016001 ESP Fit Center 4255 is at 5.936396 -2.699063 2.016001 ESP Fit Center 4256 is at 6.173292 -2.355860 2.016001 ESP Fit Center 4257 is at 3.829407 -3.238442 1.610184 ESP Fit Center 4258 is at 4.225049 -3.376884 1.610184 ESP Fit Center 4259 is at 4.641577 -3.423815 1.610184 ESP Fit Center 4260 is at 5.058105 -3.376884 1.610184 ESP Fit Center 4261 is at 5.453747 -3.238442 1.610184 ESP Fit Center 4262 is at 3.930912 -3.335589 1.182944 ESP Fit Center 4263 is at 4.330956 -3.446660 1.182944 ESP Fit Center 4264 is at 6.743180 -1.932223 1.781936 ESP Fit Center 4265 is at 6.326651 -2.653671 1.781936 ESP Fit Center 4266 is at 6.631571 -2.348751 1.781936 ESP Fit Center 4267 is at 7.107223 -1.932223 1.553192 ESP Fit Center 4268 is at 6.117997 -3.111136 1.553192 ESP Fit Center 4269 is at 6.508673 -2.968942 1.553192 ESP Fit Center 4270 is at 6.827155 -2.701704 1.553192 ESP Fit Center 4271 is at 7.035029 -2.341655 1.553192 ESP Fit Center 4272 is at 7.411239 -1.932223 1.249176 ESP Fit Center 4273 is at 5.696492 -3.418060 1.249176 ESP Fit Center 4274 is at 6.123754 -3.418060 1.249176 ESP Fit Center 4275 is at 6.533709 -3.297686 1.249176 ESP Fit Center 4276 is at 6.893145 -3.066691 1.249176 ESP Fit Center 4277 is at 7.172943 -2.743787 1.249176 ESP Fit Center 4278 is at 7.350434 -2.355136 1.249176 ESP Fit Center 4279 is at 7.639983 -1.932223 0.885132 ESP Fit Center 4280 is at 5.701611 -3.649470 0.885132 ESP Fit Center 4281 is at 6.118635 -3.649470 0.885132 ESP Fit Center 4282 is at 6.523540 -3.549670 0.885132 ESP Fit Center 4283 is at 6.892796 -3.355870 0.885132 ESP Fit Center 4284 is at 7.204942 -3.079332 0.885132 ESP Fit Center 4285 is at 7.441838 -2.736129 0.885132 ESP Fit Center 4286 is at 7.589717 -2.346205 0.885132 ESP Fit Center 4287 is at 7.781985 -1.932223 0.479316 ESP Fit Center 4288 is at 5.493595 -3.757153 0.479316 ESP Fit Center 4289 is at 5.910123 -3.804084 0.479316 ESP Fit Center 4290 is at 6.326651 -3.757153 0.479316 ESP Fit Center 4291 is at 6.722293 -3.618712 0.479316 ESP Fit Center 4292 is at 7.077210 -3.395703 0.479316 ESP Fit Center 4293 is at 7.373603 -3.099309 0.479316 ESP Fit Center 4294 is at 7.596612 -2.744393 0.479316 ESP Fit Center 4295 is at 7.735053 -2.348751 0.479316 ESP Fit Center 4296 is at 7.830123 -1.932223 0.052075 ESP Fit Center 4297 is at 5.599502 -3.826929 0.052075 ESP Fit Center 4298 is at 6.014070 -3.849407 0.052075 ESP Fit Center 4299 is at 6.423777 -3.782239 0.052075 ESP Fit Center 4300 is at 6.809467 -3.628566 0.052075 ESP Fit Center 4301 is at 7.153105 -3.395574 0.052075 ESP Fit Center 4302 is at 7.438622 -3.094157 0.052075 ESP Fit Center 4303 is at 7.652668 -2.738410 0.052075 ESP Fit Center 4304 is at 7.785235 -2.344966 0.052075 ESP Fit Center 4305 is at 7.781985 -1.932223 -0.375165 ESP Fit Center 4306 is at 7.735053 -1.515694 -0.375165 ESP Fit Center 4307 is at 5.910123 -3.804084 -0.375165 ESP Fit Center 4308 is at 6.326651 -3.757153 -0.375165 ESP Fit Center 4309 is at 6.722293 -3.618712 -0.375165 ESP Fit Center 4310 is at 7.077210 -3.395703 -0.375165 ESP Fit Center 4311 is at 7.373603 -3.099309 -0.375165 ESP Fit Center 4312 is at 7.596612 -2.744393 -0.375165 ESP Fit Center 4313 is at 7.735053 -2.348751 -0.375165 ESP Fit Center 4314 is at 7.639983 -1.932223 -0.780981 ESP Fit Center 4315 is at 7.589717 -1.518240 -0.780981 ESP Fit Center 4316 is at 7.441838 -1.128316 -0.780981 ESP Fit Center 4317 is at 5.701611 -3.649470 -0.780981 ESP Fit Center 4318 is at 6.118635 -3.649470 -0.780981 ESP Fit Center 4319 is at 6.523540 -3.549670 -0.780981 ESP Fit Center 4320 is at 6.892796 -3.355870 -0.780981 ESP Fit Center 4321 is at 7.204942 -3.079332 -0.780981 ESP Fit Center 4322 is at 7.441838 -2.736129 -0.780981 ESP Fit Center 4323 is at 7.589717 -2.346205 -0.780981 ESP Fit Center 4324 is at 7.411239 -1.932223 -1.145025 ESP Fit Center 4325 is at 7.350434 -1.509309 -1.145025 ESP Fit Center 4326 is at 7.172943 -1.120658 -1.145025 ESP Fit Center 4327 is at 6.123754 -3.418060 -1.145025 ESP Fit Center 4328 is at 6.533709 -3.297686 -1.145025 ESP Fit Center 4329 is at 6.893145 -3.066691 -1.145025 ESP Fit Center 4330 is at 7.172943 -2.743787 -1.145025 ESP Fit Center 4331 is at 7.350434 -2.355136 -1.145025 ESP Fit Center 4332 is at 7.107223 -1.932223 -1.449041 ESP Fit Center 4333 is at 7.035029 -1.522790 -1.449041 ESP Fit Center 4334 is at 6.827155 -1.162741 -1.449041 ESP Fit Center 4335 is at 6.117997 -3.111136 -1.449041 ESP Fit Center 4336 is at 6.508673 -2.968942 -1.449041 ESP Fit Center 4337 is at 6.827155 -2.701704 -1.449041 ESP Fit Center 4338 is at 7.035029 -2.341655 -1.449041 ESP Fit Center 4339 is at 6.743180 -1.932223 -1.677785 ESP Fit Center 4340 is at 6.631571 -1.515694 -1.677785 ESP Fit Center 4341 is at 6.326651 -2.653671 -1.677785 ESP Fit Center 4342 is at 6.631571 -2.348751 -1.677785 ESP Fit Center 4343 is at 6.337363 -1.932223 -1.819786 ESP Fit Center 4344 is at 7.513071 1.015432 3.119335 ESP Fit Center 4345 is at 7.928130 0.605008 2.879381 ESP Fit Center 4346 is at 7.703544 -0.196549 2.879381 ESP Fit Center 4347 is at 7.870923 0.188795 2.879381 ESP Fit Center 4348 is at 8.223946 0.605008 2.583565 ESP Fit Center 4349 is at 6.700176 -1.449485 2.240874 ESP Fit Center 4350 is at 4.380882 1.638429 1.861723 ESP Fit Center 4351 is at 7.585439 0.605008 -1.037587 ESP Fit Center 4352 is at 4.212726 1.095702 2.038768 ESP Fit Center 4353 is at 3.999106 0.725701 2.038768 ESP Fit Center 4354 is at 4.009818 1.447149 1.896766 ESP Fit Center 4355 is at 3.704898 1.142229 1.896766 ESP Fit Center 4356 is at 3.593289 0.725701 1.896766 ESP Fit Center 4357 is at 3.704898 0.309172 1.896766 ESP Fit Center 4358 is at 3.827796 1.762420 1.668023 ESP Fit Center 4359 is at 3.509314 1.495182 1.668023 ESP Fit Center 4360 is at 3.301440 1.135133 1.668023 ESP Fit Center 4361 is at 3.229246 0.725701 1.668023 ESP Fit Center 4362 is at 3.301440 0.316268 1.668023 ESP Fit Center 4363 is at 3.509314 -0.043781 1.668023 ESP Fit Center 4364 is at 3.802760 2.091164 1.364007 ESP Fit Center 4365 is at 3.443324 1.860169 1.364007 ESP Fit Center 4366 is at 3.163527 1.537265 1.364007 ESP Fit Center 4367 is at 2.986035 1.148614 1.364007 ESP Fit Center 4368 is at 2.925230 0.725701 1.364007 ESP Fit Center 4369 is at 2.986035 0.302787 1.364007 ESP Fit Center 4370 is at 3.812929 2.343148 0.999963 ESP Fit Center 4371 is at 3.443673 2.149348 0.999963 ESP Fit Center 4372 is at 3.131527 1.872810 0.999963 ESP Fit Center 4373 is at 2.894631 1.529607 0.999963 ESP Fit Center 4374 is at 2.746752 1.139683 0.999963 ESP Fit Center 4375 is at 2.696486 0.725701 0.999963 ESP Fit Center 4376 is at 3.614176 2.412190 0.594146 ESP Fit Center 4377 is at 3.259259 2.189181 0.594146 ESP Fit Center 4378 is at 2.962866 1.892787 0.594146 ESP Fit Center 4379 is at 2.739857 1.537871 0.594146 ESP Fit Center 4380 is at 2.601416 1.142229 0.594146 ESP Fit Center 4381 is at 4.115725 2.620408 0.166906 ESP Fit Center 4382 is at 3.715681 2.509336 0.166906 ESP Fit Center 4383 is at 3.348867 2.314864 0.166906 ESP Fit Center 4384 is at 3.032435 2.046084 0.166906 ESP Fit Center 4385 is at 2.781180 1.715564 0.166906 ESP Fit Center 4386 is at 2.606852 1.338760 0.166906 ESP Fit Center 4387 is at 4.426346 2.597562 -0.260334 ESP Fit Center 4388 is at 4.009818 2.550631 -0.260334 ESP Fit Center 4389 is at 3.614176 2.412190 -0.260334 ESP Fit Center 4390 is at 3.259259 2.189181 -0.260334 ESP Fit Center 4391 is at 2.962866 1.892787 -0.260334 ESP Fit Center 4392 is at 4.634858 2.442948 -0.666151 ESP Fit Center 4393 is at 4.217834 2.442948 -0.666151 ESP Fit Center 4394 is at 3.812929 2.343148 -0.666151 ESP Fit Center 4395 is at 3.443673 2.149348 -0.666151 ESP Fit Center 4396 is at 3.131527 1.872810 -0.666151 ESP Fit Center 4397 is at 4.639977 2.211538 -1.030194 ESP Fit Center 4398 is at 4.212715 2.211538 -1.030194 ESP Fit Center 4399 is at 3.802760 2.091164 -1.030194 ESP Fit Center 4400 is at 3.443324 1.860169 -1.030194 ESP Fit Center 4401 is at 4.218472 1.904614 -1.334210 ESP Fit Center 4402 is at 3.827796 1.762420 -1.334210 ESP Fit Center 4403 is at 4.009818 1.447149 -1.562954 ESP Fit Center 4404 is at 7.426041 -0.473990 -0.972835 ESP Fit Center 4405 is at 7.555357 0.332197 -1.400075 ESP Fit Center 4406 is at 7.508426 0.748725 -1.400075 ESP Fit Center 4407 is at 5.683496 2.204058 -1.400075 ESP Fit Center 4408 is at 5.266967 2.157127 -1.400075 ESP Fit Center 4409 is at 4.871325 2.018686 -1.400075 ESP Fit Center 4410 is at 7.146976 -0.834890 -1.400075 ESP Fit Center 4411 is at 7.369985 -0.479973 -1.400075 ESP Fit Center 4412 is at 7.508426 -0.084332 -1.400075 ESP Fit Center 4413 is at 7.413356 0.332197 -1.805892 ESP Fit Center 4414 is at 7.363089 0.746180 -1.805892 ESP Fit Center 4415 is at 7.215211 1.136103 -1.805892 ESP Fit Center 4416 is at 6.296913 1.949644 -1.805892 ESP Fit Center 4417 is at 5.892007 2.049444 -1.805892 ESP Fit Center 4418 is at 5.474984 2.049444 -1.805892 ESP Fit Center 4419 is at 5.070079 1.949644 -1.805892 ESP Fit Center 4420 is at 4.700823 1.755844 -1.805892 ESP Fit Center 4421 is at 4.388677 1.479306 -1.805892 ESP Fit Center 4422 is at 6.666168 -1.091450 -1.805892 ESP Fit Center 4423 is at 6.978315 -0.814913 -1.805892 ESP Fit Center 4424 is at 7.215211 -0.471709 -1.805892 ESP Fit Center 4425 is at 7.363089 -0.081786 -1.805892 ESP Fit Center 4426 is at 7.184612 0.332197 -2.169935 ESP Fit Center 4427 is at 7.123806 0.755110 -2.169935 ESP Fit Center 4428 is at 6.946315 1.143762 -2.169935 ESP Fit Center 4429 is at 6.666518 1.466665 -2.169935 ESP Fit Center 4430 is at 6.307082 1.697660 -2.169935 ESP Fit Center 4431 is at 5.897127 1.818034 -2.169935 ESP Fit Center 4432 is at 5.469865 1.818034 -2.169935 ESP Fit Center 4433 is at 5.059909 1.697660 -2.169935 ESP Fit Center 4434 is at 4.700474 1.466665 -2.169935 ESP Fit Center 4435 is at 4.420676 1.143762 -2.169935 ESP Fit Center 4436 is at 6.307082 -1.033267 -2.169935 ESP Fit Center 4437 is at 6.666518 -0.802271 -2.169935 ESP Fit Center 4438 is at 6.946315 -0.479368 -2.169935 ESP Fit Center 4439 is at 7.123806 -0.090716 -2.169935 ESP Fit Center 4440 is at 6.880596 0.332197 -2.473951 ESP Fit Center 4441 is at 6.808402 0.741629 -2.473951 ESP Fit Center 4442 is at 6.600528 1.101678 -2.473951 ESP Fit Center 4443 is at 6.282046 1.368916 -2.473951 ESP Fit Center 4444 is at 5.891370 1.511111 -2.473951 ESP Fit Center 4445 is at 5.475621 1.511111 -2.473951 ESP Fit Center 4446 is at 5.084946 1.368916 -2.473951 ESP Fit Center 4447 is at 4.766464 1.101678 -2.473951 ESP Fit Center 4448 is at 4.558589 0.741629 -2.473951 ESP Fit Center 4449 is at 6.282046 -0.704522 -2.473951 ESP Fit Center 4450 is at 6.600528 -0.437284 -2.473951 ESP Fit Center 4451 is at 6.808402 -0.077236 -2.473951 ESP Fit Center 4452 is at 6.516553 0.332197 -2.702695 ESP Fit Center 4453 is at 6.404944 0.748725 -2.702695 ESP Fit Center 4454 is at 6.100024 1.053645 -2.702695 ESP Fit Center 4455 is at 5.683496 1.165254 -2.702695 ESP Fit Center 4456 is at 5.266967 1.053645 -2.702695 ESP Fit Center 4457 is at 4.962047 0.748725 -2.702695 ESP Fit Center 4458 is at 4.850439 0.332197 -2.702695 ESP Fit Center 4459 is at 5.683496 -0.500860 -2.702695 ESP Fit Center 4460 is at 6.100024 -0.389251 -2.702695 ESP Fit Center 4461 is at 6.404944 -0.084332 -2.702695 ESP Fit Center 4462 is at 6.110736 0.332197 -2.844696 ESP Fit Center 4463 is at 5.897116 0.702198 -2.844696 ESP Fit Center 4464 is at 5.469876 0.702198 -2.844696 ESP Fit Center 4465 is at 5.256256 0.332197 -2.844696 ESP Fit Center 4466 is at 5.469876 -0.037804 -2.844696 ESP Fit Center 4467 is at 5.897116 -0.037804 -2.844696 ESP Fit Center 4468 is at 5.683496 0.332197 -2.892835 ESP Fit Center 4469 is at 8.125296 0.016907 2.644027 ESP Fit Center 4470 is at 7.708768 -0.704542 2.644027 ESP Fit Center 4471 is at 8.013688 -0.399622 2.644027 ESP Fit Center 4472 is at 8.489340 0.016907 2.415283 ESP Fit Center 4473 is at 8.417146 0.426339 2.415283 ESP Fit Center 4474 is at 7.500114 -1.162007 2.415283 ESP Fit Center 4475 is at 7.890790 -1.019813 2.415283 ESP Fit Center 4476 is at 8.209272 -0.752575 2.415283 ESP Fit Center 4477 is at 8.417146 -0.392526 2.415283 ESP Fit Center 4478 is at 8.793356 0.016907 2.111267 ESP Fit Center 4479 is at 8.732550 0.439820 2.111267 ESP Fit Center 4480 is at 8.555059 0.828472 2.111267 ESP Fit Center 4481 is at 7.078609 -1.468930 2.111267 ESP Fit Center 4482 is at 7.505871 -1.468930 2.111267 ESP Fit Center 4483 is at 7.915826 -1.348557 2.111267 ESP Fit Center 4484 is at 8.275262 -1.117561 2.111267 ESP Fit Center 4485 is at 8.555059 -0.794658 2.111267 ESP Fit Center 4486 is at 8.732550 -0.406007 2.111267 ESP Fit Center 4487 is at 9.022100 0.016907 1.747224 ESP Fit Center 4488 is at 8.971833 0.430889 1.747224 ESP Fit Center 4489 is at 8.823955 0.820813 1.747224 ESP Fit Center 4490 is at 7.083728 -1.700341 1.747224 ESP Fit Center 4491 is at 7.500751 -1.700341 1.747224 ESP Fit Center 4492 is at 7.905657 -1.600541 1.747224 ESP Fit Center 4493 is at 8.274912 -1.406740 1.747224 ESP Fit Center 4494 is at 8.587059 -1.130203 1.747224 ESP Fit Center 4495 is at 8.823955 -0.786999 1.747224 ESP Fit Center 4496 is at 8.971833 -0.397076 1.747224 ESP Fit Center 4497 is at 9.164101 0.016907 1.341407 ESP Fit Center 4498 is at 9.117170 0.433435 1.341407 ESP Fit Center 4499 is at 8.978729 0.829077 1.341407 ESP Fit Center 4500 is at 7.708768 -1.808023 1.341407 ESP Fit Center 4501 is at 8.104410 -1.669582 1.341407 ESP Fit Center 4502 is at 8.459326 -1.446574 1.341407 ESP Fit Center 4503 is at 8.755720 -1.150180 1.341407 ESP Fit Center 4504 is at 8.978729 -0.795264 1.341407 ESP Fit Center 4505 is at 9.117170 -0.399622 1.341407 ESP Fit Center 4506 is at 9.212240 0.016907 0.914167 ESP Fit Center 4507 is at 9.167351 0.429650 0.914167 ESP Fit Center 4508 is at 9.034784 0.823094 0.914167 ESP Fit Center 4509 is at 7.805894 -1.833109 0.914167 ESP Fit Center 4510 is at 8.191584 -1.679436 0.914167 ESP Fit Center 4511 is at 8.535221 -1.446444 0.914167 ESP Fit Center 4512 is at 8.820738 -1.145028 0.914167 ESP Fit Center 4513 is at 9.034784 -0.789280 0.914167 ESP Fit Center 4514 is at 9.167351 -0.395836 0.914167 ESP Fit Center 4515 is at 9.164101 0.016907 0.486927 ESP Fit Center 4516 is at 9.117170 0.433435 0.486927 ESP Fit Center 4517 is at 8.978729 0.829077 0.486927 ESP Fit Center 4518 is at 8.104410 -1.669582 0.486927 ESP Fit Center 4519 is at 8.459326 -1.446574 0.486927 ESP Fit Center 4520 is at 8.755720 -1.150180 0.486927 ESP Fit Center 4521 is at 8.978729 -0.795264 0.486927 ESP Fit Center 4522 is at 9.117170 -0.399622 0.486927 ESP Fit Center 4523 is at 9.022100 0.016907 0.081110 ESP Fit Center 4524 is at 8.971833 0.430889 0.081110 ESP Fit Center 4525 is at 8.823955 0.820813 0.081110 ESP Fit Center 4526 is at 7.905657 -1.600541 0.081110 ESP Fit Center 4527 is at 8.274912 -1.406740 0.081110 ESP Fit Center 4528 is at 8.587059 -1.130203 0.081110 ESP Fit Center 4529 is at 8.823955 -0.786999 0.081110 ESP Fit Center 4530 is at 8.971833 -0.397076 0.081110 ESP Fit Center 4531 is at 8.793356 0.016907 -0.282934 ESP Fit Center 4532 is at 8.732550 0.439820 -0.282934 ESP Fit Center 4533 is at 8.555059 0.828472 -0.282934 ESP Fit Center 4534 is at 7.915826 -1.348557 -0.282934 ESP Fit Center 4535 is at 8.275262 -1.117561 -0.282934 ESP Fit Center 4536 is at 8.555059 -0.794658 -0.282934 ESP Fit Center 4537 is at 8.732550 -0.406007 -0.282934 ESP Fit Center 4538 is at 8.489340 0.016907 -0.586950 ESP Fit Center 4539 is at 8.417146 0.426339 -0.586950 ESP Fit Center 4540 is at 8.209272 0.786388 -0.586950 ESP Fit Center 4541 is at 7.890790 -1.019813 -0.586950 ESP Fit Center 4542 is at 8.209272 -0.752575 -0.586950 ESP Fit Center 4543 is at 8.417146 -0.392526 -0.586950 ESP Fit Center 4544 is at 8.125296 0.016907 -0.815693 ESP Fit Center 4545 is at 8.013688 0.433435 -0.815693 ESP Fit Center 4546 is at 7.708768 -0.704542 -0.815693 ESP Fit Center 4547 is at 8.013688 -0.399622 -0.815693 ESP Fit Center 4548 is at 7.719480 0.016907 -0.957695 ESP Fit Center 4549 is at 7.505860 -0.353094 -0.957695 ESP Fit Center 4550 is at 6.033520 0.408869 3.971525 ESP Fit Center 4551 is at 6.460761 0.408869 3.923387 ESP Fit Center 4552 is at 6.247141 0.778869 3.923387 ESP Fit Center 4553 is at 5.819900 0.778869 3.923387 ESP Fit Center 4554 is at 5.606280 0.408869 3.923387 ESP Fit Center 4555 is at 5.819900 0.038868 3.923387 ESP Fit Center 4556 is at 6.247141 0.038868 3.923387 ESP Fit Center 4557 is at 6.866577 0.408869 3.781385 ESP Fit Center 4558 is at 6.754969 0.825397 3.781385 ESP Fit Center 4559 is at 6.450049 1.130317 3.781385 ESP Fit Center 4560 is at 6.033520 1.241925 3.781385 ESP Fit Center 4561 is at 5.616992 1.130317 3.781385 ESP Fit Center 4562 is at 5.312072 0.825397 3.781385 ESP Fit Center 4563 is at 5.200464 0.408869 3.781385 ESP Fit Center 4564 is at 5.312072 -0.007660 3.781385 ESP Fit Center 4565 is at 5.616992 -0.312580 3.781385 ESP Fit Center 4566 is at 6.033520 -0.424188 3.781385 ESP Fit Center 4567 is at 6.450049 -0.312580 3.781385 ESP Fit Center 4568 is at 6.754969 -0.007660 3.781385 ESP Fit Center 4569 is at 7.230621 0.408869 3.552642 ESP Fit Center 4570 is at 7.158427 0.818301 3.552642 ESP Fit Center 4571 is at 6.950553 1.178350 3.552642 ESP Fit Center 4572 is at 6.632071 1.445588 3.552642 ESP Fit Center 4573 is at 6.241395 1.587782 3.552642 ESP Fit Center 4574 is at 5.825646 1.587782 3.552642 ESP Fit Center 4575 is at 5.434970 1.445588 3.552642 ESP Fit Center 4576 is at 5.116488 1.178350 3.552642 ESP Fit Center 4577 is at 4.908614 0.818301 3.552642 ESP Fit Center 4578 is at 4.836420 0.408869 3.552642 ESP Fit Center 4579 is at 4.908614 -0.000564 3.552642 ESP Fit Center 4580 is at 5.116488 -0.360613 3.552642 ESP Fit Center 4581 is at 5.434970 -0.627851 3.552642 ESP Fit Center 4582 is at 5.825646 -0.770045 3.552642 ESP Fit Center 4583 is at 6.241395 -0.770045 3.552642 ESP Fit Center 4584 is at 6.632071 -0.627851 3.552642 ESP Fit Center 4585 is at 6.950553 -0.360613 3.552642 ESP Fit Center 4586 is at 7.158427 -0.000564 3.552642 ESP Fit Center 4587 is at 7.534637 0.408869 3.248626 ESP Fit Center 4588 is at 7.473831 0.831782 3.248626 ESP Fit Center 4589 is at 7.296340 1.220433 3.248626 ESP Fit Center 4590 is at 6.247152 1.894706 3.248626 ESP Fit Center 4591 is at 5.819889 1.894706 3.248626 ESP Fit Center 4592 is at 5.409934 1.774332 3.248626 ESP Fit Center 4593 is at 5.050498 1.543337 3.248626 ESP Fit Center 4594 is at 4.770701 1.220433 3.248626 ESP Fit Center 4595 is at 4.593210 0.831782 3.248626 ESP Fit Center 4596 is at 4.532404 0.408869 3.248626 ESP Fit Center 4597 is at 4.593210 -0.014045 3.248626 ESP Fit Center 4598 is at 4.770701 -0.402696 3.248626 ESP Fit Center 4599 is at 5.050498 -0.725600 3.248626 ESP Fit Center 4600 is at 5.409934 -0.956595 3.248626 ESP Fit Center 4601 is at 5.819889 -1.076969 3.248626 ESP Fit Center 4602 is at 6.247152 -1.076969 3.248626 ESP Fit Center 4603 is at 6.657107 -0.956595 3.248626 ESP Fit Center 4604 is at 7.016543 -0.725600 3.248626 ESP Fit Center 4605 is at 7.296340 -0.402696 3.248626 ESP Fit Center 4606 is at 7.473831 -0.014045 3.248626 ESP Fit Center 4607 is at 5.050848 1.832516 2.884582 ESP Fit Center 4608 is at 4.738701 1.555978 2.884582 ESP Fit Center 4609 is at 4.501805 1.212775 2.884582 ESP Fit Center 4610 is at 4.353927 0.822851 2.884582 ESP Fit Center 4611 is at 4.303660 0.408869 2.884582 ESP Fit Center 4612 is at 4.353927 -0.005114 2.884582 ESP Fit Center 4613 is at 4.501805 -0.395038 2.884582 ESP Fit Center 4614 is at 5.825009 -1.308379 2.884582 ESP Fit Center 4615 is at 6.242032 -1.308379 2.884582 ESP Fit Center 4616 is at 6.646937 -1.208579 2.884582 ESP Fit Center 4617 is at 7.016193 -1.014779 2.884582 ESP Fit Center 4618 is at 7.328339 -0.738241 2.884582 ESP Fit Center 4619 is at 7.565236 -0.395038 2.884582 ESP Fit Center 4620 is at 4.570040 1.575955 2.478765 ESP Fit Center 4621 is at 4.347031 1.221039 2.478765 ESP Fit Center 4622 is at 4.208590 0.825397 2.478765 ESP Fit Center 4623 is at 4.161659 0.408869 2.478765 ESP Fit Center 4624 is at 4.208590 -0.007660 2.478765 ESP Fit Center 4625 is at 6.450049 -1.416062 2.478765 ESP Fit Center 4626 is at 6.845691 -1.277620 2.478765 ESP Fit Center 4627 is at 6.303827 2.089564 3.264945 ESP Fit Center 4628 is at 6.310159 2.800439 3.156669 ESP Fit Center 4629 is at 6.009707 2.499988 3.156669 ESP Fit Center 4630 is at 5.899734 2.089564 3.156669 ESP Fit Center 4631 is at 6.120583 3.128794 2.979868 ESP Fit Center 4632 is at 5.801329 2.860909 2.979868 ESP Fit Center 4633 is at 5.592952 2.499988 2.979868 ESP Fit Center 4634 is at 5.520583 2.089564 2.979868 ESP Fit Center 4635 is at 6.613683 3.924960 2.444097 ESP Fit Center 4636 is at 6.615310 4.165357 2.101407 ESP Fit Center 4637 is at 6.827892 4.342271 1.722255 ESP Fit Center 4638 is at 7.450956 4.337422 1.318162 ESP Fit Center 4639 is at 7.037848 4.431712 1.318162 ESP Fit Center 4640 is at 6.614543 4.450722 1.318162 ESP Fit Center 4641 is at 7.920583 4.168024 0.901407 ESP Fit Center 4642 is at 7.541431 4.344826 0.901407 ESP Fit Center 4643 is at 7.137338 4.453102 0.901407 ESP Fit Center 4644 is at 6.720583 4.489564 0.901407 ESP Fit Center 4645 is at 8.975845 1.268715 0.901407 ESP Fit Center 4646 is at 9.084121 2.089564 0.484651 ESP Fit Center 4647 is at 9.046138 2.511590 0.484651 ESP Fit Center 4648 is at 8.933410 2.920051 0.484651 ESP Fit Center 4649 is at 8.749560 3.301821 0.484651 ESP Fit Center 4650 is at 8.500496 3.644627 0.484651 ESP Fit Center 4651 is at 8.194225 3.937452 0.484651 ESP Fit Center 4652 is at 7.840590 4.170885 0.484651 ESP Fit Center 4653 is at 7.450956 4.337422 0.484651 ESP Fit Center 4654 is at 7.037848 4.431712 0.484651 ESP Fit Center 4655 is at 6.614543 4.450722 0.484651 ESP Fit Center 4656 is at 8.933410 1.259076 0.484651 ESP Fit Center 4657 is at 9.046138 1.667537 0.484651 ESP Fit Center 4658 is at 7.252281 4.281253 0.080558 ESP Fit Center 4659 is at 6.827892 4.342271 0.080558 ESP Fit Center 4660 is at 6.399625 4.321870 0.080558 ESP Fit Center 4661 is at 8.814296 1.251367 0.080558 ESP Fit Center 4662 is at 8.935089 1.662752 0.080558 ESP Fit Center 4663 is at 6.615310 4.165357 -0.298593 ESP Fit Center 4664 is at 6.199611 4.101674 -0.298593 ESP Fit Center 4665 is at 5.801329 3.681757 -0.641283 ESP Fit Center 4666 is at 5.523900 3.063137 -0.937100 ESP Fit Center 4667 is at 5.305610 2.704173 -0.937100 ESP Fit Center 4668 is at 5.626232 3.075983 2.928254 ESP Fit Center 4669 is at 5.412612 2.705982 2.928254 ESP Fit Center 4670 is at 5.839852 3.539039 2.786253 ESP Fit Center 4671 is at 5.423324 3.427431 2.786253 ESP Fit Center 4672 is at 5.118404 3.122511 2.786253 ESP Fit Center 4673 is at 5.006795 2.705982 2.786253 ESP Fit Center 4674 is at 5.118404 2.289454 2.786253 ESP Fit Center 4675 is at 6.047726 3.884896 2.557509 ESP Fit Center 4676 is at 5.631978 3.884896 2.557509 ESP Fit Center 4677 is at 5.241302 3.742702 2.557509 ESP Fit Center 4678 is at 4.922820 3.475464 2.557509 ESP Fit Center 4679 is at 4.714946 3.115415 2.557509 ESP Fit Center 4680 is at 4.642752 2.705982 2.557509 ESP Fit Center 4681 is at 4.714946 2.296550 2.557509 ESP Fit Center 4682 is at 4.922820 1.936501 2.557509 ESP Fit Center 4683 is at 6.463438 4.071446 2.253493 ESP Fit Center 4684 is at 6.053483 4.191820 2.253493 ESP Fit Center 4685 is at 5.626221 4.191820 2.253493 ESP Fit Center 4686 is at 5.216266 4.071446 2.253493 ESP Fit Center 4687 is at 4.856830 3.840451 2.253493 ESP Fit Center 4688 is at 4.577032 3.517547 2.253493 ESP Fit Center 4689 is at 4.399541 3.128896 2.253493 ESP Fit Center 4690 is at 4.338735 2.705982 2.253493 ESP Fit Center 4691 is at 4.399541 2.283069 2.253493 ESP Fit Center 4692 is at 4.577032 1.894418 2.253493 ESP Fit Center 4693 is at 6.453269 4.323430 1.889450 ESP Fit Center 4694 is at 6.048364 4.423230 1.889450 ESP Fit Center 4695 is at 5.631340 4.423230 1.889450 ESP Fit Center 4696 is at 5.226435 4.323430 1.889450 ESP Fit Center 4697 is at 4.857179 4.129629 1.889450 ESP Fit Center 4698 is at 4.545033 3.853092 1.889450 ESP Fit Center 4699 is at 4.308137 3.509889 1.889450 ESP Fit Center 4700 is at 4.160258 3.119965 1.889450 ESP Fit Center 4701 is at 4.109992 2.705982 1.889450 ESP Fit Center 4702 is at 4.160258 2.292000 1.889450 ESP Fit Center 4703 is at 4.308137 1.902076 1.889450 ESP Fit Center 4704 is at 6.256380 4.530913 1.483633 ESP Fit Center 4705 is at 5.839852 4.577844 1.483633 ESP Fit Center 4706 is at 5.423324 4.530913 1.483633 ESP Fit Center 4707 is at 5.027682 4.392471 1.483633 ESP Fit Center 4708 is at 4.672765 4.169463 1.483633 ESP Fit Center 4709 is at 4.376372 3.873069 1.483633 ESP Fit Center 4710 is at 4.153363 3.518153 1.483633 ESP Fit Center 4711 is at 4.014922 3.122511 1.483633 ESP Fit Center 4712 is at 3.967990 2.705982 1.483633 ESP Fit Center 4713 is at 4.014922 2.289454 1.483633 ESP Fit Center 4714 is at 6.353506 4.555998 1.056393 ESP Fit Center 4715 is at 5.943799 4.623167 1.056393 ESP Fit Center 4716 is at 5.529231 4.600689 1.056393 ESP Fit Center 4717 is at 5.129187 4.489618 1.056393 ESP Fit Center 4718 is at 4.762373 4.295145 1.056393 ESP Fit Center 4719 is at 4.445941 4.026365 1.056393 ESP Fit Center 4720 is at 4.194686 3.695846 1.056393 ESP Fit Center 4721 is at 4.020358 3.319041 1.056393 ESP Fit Center 4722 is at 3.931107 2.913571 1.056393 ESP Fit Center 4723 is at 3.931107 2.498394 1.056393 ESP Fit Center 4724 is at 6.256380 4.530913 0.629153 ESP Fit Center 4725 is at 5.839852 4.577844 0.629153 ESP Fit Center 4726 is at 5.423324 4.530913 0.629153 ESP Fit Center 4727 is at 5.027682 4.392471 0.629153 ESP Fit Center 4728 is at 4.672765 4.169463 0.629153 ESP Fit Center 4729 is at 4.376372 3.873069 0.629153 ESP Fit Center 4730 is at 4.153363 3.518153 0.629153 ESP Fit Center 4731 is at 4.014922 3.122511 0.629153 ESP Fit Center 4732 is at 3.967990 2.705982 0.629153 ESP Fit Center 4733 is at 6.048364 4.423230 0.223336 ESP Fit Center 4734 is at 5.631340 4.423230 0.223336 ESP Fit Center 4735 is at 5.226435 4.323430 0.223336 ESP Fit Center 4736 is at 4.857179 4.129629 0.223336 ESP Fit Center 4737 is at 4.545033 3.853092 0.223336 ESP Fit Center 4738 is at 4.308137 3.509889 0.223336 ESP Fit Center 4739 is at 4.160258 3.119965 0.223336 ESP Fit Center 4740 is at 4.109992 2.705982 0.223336 ESP Fit Center 4741 is at 6.053483 4.191820 -0.140708 ESP Fit Center 4742 is at 5.626221 4.191820 -0.140708 ESP Fit Center 4743 is at 5.216266 4.071446 -0.140708 ESP Fit Center 4744 is at 4.856830 3.840451 -0.140708 ESP Fit Center 4745 is at 4.577032 3.517547 -0.140708 ESP Fit Center 4746 is at 4.399541 3.128896 -0.140708 ESP Fit Center 4747 is at 4.338735 2.705982 -0.140708 ESP Fit Center 4748 is at 5.631978 3.884896 -0.444724 ESP Fit Center 4749 is at 5.241302 3.742702 -0.444724 ESP Fit Center 4750 is at 4.922820 3.475464 -0.444724 ESP Fit Center 4751 is at 4.714946 3.115415 -0.444724 ESP Fit Center 4752 is at 4.642752 2.705982 -0.444724 ESP Fit Center 4753 is at 5.423324 3.427431 -0.673467 ESP Fit Center 4754 is at 5.118404 3.122511 -0.673467 ESP Fit Center 4755 is at 5.006795 2.705982 -0.673467 ESP Fit Center 4756 is at 9.028721 2.312425 -0.088582 ESP Fit Center 4757 is at 8.983832 2.725168 -0.088582 ESP Fit Center 4758 is at 8.851266 3.118612 -0.088582 ESP Fit Center 4759 is at 8.637219 3.474359 -0.088582 ESP Fit Center 4760 is at 8.351702 3.775776 -0.088582 ESP Fit Center 4761 is at 8.008065 4.008768 -0.088582 ESP Fit Center 4762 is at 7.622375 4.162441 -0.088582 ESP Fit Center 4763 is at 7.212667 4.229609 -0.088582 ESP Fit Center 4764 is at 8.851266 1.506237 -0.088582 ESP Fit Center 4765 is at 8.983832 1.899681 -0.088582 ESP Fit Center 4766 is at 8.980582 2.312425 -0.515823 ESP Fit Center 4767 is at 8.933651 2.728953 -0.515823 ESP Fit Center 4768 is at 8.795210 3.124595 -0.515823 ESP Fit Center 4769 is at 8.572201 3.479511 -0.515823 ESP Fit Center 4770 is at 8.275807 3.775905 -0.515823 ESP Fit Center 4771 is at 7.920891 3.998914 -0.515823 ESP Fit Center 4772 is at 7.525249 4.137355 -0.515823 ESP Fit Center 4773 is at 7.108721 4.184286 -0.515823 ESP Fit Center 4774 is at 6.692192 4.137355 -0.515823 ESP Fit Center 4775 is at 6.296550 3.998914 -0.515823 ESP Fit Center 4776 is at 8.275807 0.848944 -0.515823 ESP Fit Center 4777 is at 8.572201 1.145338 -0.515823 ESP Fit Center 4778 is at 8.795210 1.500254 -0.515823 ESP Fit Center 4779 is at 8.933651 1.895896 -0.515823 ESP Fit Center 4780 is at 8.838581 2.312425 -0.921639 ESP Fit Center 4781 is at 8.788314 2.726407 -0.921639 ESP Fit Center 4782 is at 8.640436 3.116331 -0.921639 ESP Fit Center 4783 is at 8.403540 3.459534 -0.921639 ESP Fit Center 4784 is at 8.091393 3.736072 -0.921639 ESP Fit Center 4785 is at 7.722138 3.929872 -0.921639 ESP Fit Center 4786 is at 7.317232 4.029672 -0.921639 ESP Fit Center 4787 is at 6.900209 4.029672 -0.921639 ESP Fit Center 4788 is at 6.495304 3.929872 -0.921639 ESP Fit Center 4789 is at 6.126048 3.736072 -0.921639 ESP Fit Center 4790 is at 5.813902 3.459534 -0.921639 ESP Fit Center 4791 is at 8.091393 0.888778 -0.921639 ESP Fit Center 4792 is at 8.403540 1.165315 -0.921639 ESP Fit Center 4793 is at 8.640436 1.508518 -0.921639 ESP Fit Center 4794 is at 8.788314 1.898442 -0.921639 ESP Fit Center 4795 is at 8.609837 2.312425 -1.285683 ESP Fit Center 4796 is at 8.549031 2.735338 -1.285683 ESP Fit Center 4797 is at 8.371540 3.123989 -1.285683 ESP Fit Center 4798 is at 8.091743 3.446893 -1.285683 ESP Fit Center 4799 is at 7.732307 3.677888 -1.285683 ESP Fit Center 4800 is at 7.322352 3.798262 -1.285683 ESP Fit Center 4801 is at 6.895090 3.798262 -1.285683 ESP Fit Center 4802 is at 6.485134 3.677888 -1.285683 ESP Fit Center 4803 is at 6.125699 3.446893 -1.285683 ESP Fit Center 4804 is at 5.845901 3.123989 -1.285683 ESP Fit Center 4805 is at 5.668410 2.735338 -1.285683 ESP Fit Center 4806 is at 5.607604 2.312425 -1.285683 ESP Fit Center 4807 is at 7.732307 0.946961 -1.285683 ESP Fit Center 4808 is at 8.091743 1.177956 -1.285683 ESP Fit Center 4809 is at 8.371540 1.500860 -1.285683 ESP Fit Center 4810 is at 8.549031 1.889511 -1.285683 ESP Fit Center 4811 is at 8.305821 2.312425 -1.589699 ESP Fit Center 4812 is at 8.233627 2.721857 -1.589699 ESP Fit Center 4813 is at 8.025753 3.081906 -1.589699 ESP Fit Center 4814 is at 7.707271 3.349144 -1.589699 ESP Fit Center 4815 is at 7.316595 3.491338 -1.589699 ESP Fit Center 4816 is at 6.900846 3.491338 -1.589699 ESP Fit Center 4817 is at 6.510171 3.349144 -1.589699 ESP Fit Center 4818 is at 6.191689 3.081906 -1.589699 ESP Fit Center 4819 is at 5.983814 2.721857 -1.589699 ESP Fit Center 4820 is at 5.911620 2.312425 -1.589699 ESP Fit Center 4821 is at 7.316595 1.133511 -1.589699 ESP Fit Center 4822 is at 7.707271 1.275705 -1.589699 ESP Fit Center 4823 is at 8.025753 1.542943 -1.589699 ESP Fit Center 4824 is at 8.233627 1.902992 -1.589699 ESP Fit Center 4825 is at 7.941778 2.312425 -1.818443 ESP Fit Center 4826 is at 7.830169 2.728953 -1.818443 ESP Fit Center 4827 is at 7.525249 3.033873 -1.818443 ESP Fit Center 4828 is at 7.108721 3.145481 -1.818443 ESP Fit Center 4829 is at 6.692192 3.033873 -1.818443 ESP Fit Center 4830 is at 6.387272 2.728953 -1.818443 ESP Fit Center 4831 is at 6.275664 2.312425 -1.818443 ESP Fit Center 4832 is at 7.108721 1.479368 -1.818443 ESP Fit Center 4833 is at 7.525249 1.590976 -1.818443 ESP Fit Center 4834 is at 7.830169 1.895896 -1.818443 ESP Fit Center 4835 is at 7.535961 2.312425 -1.960444 ESP Fit Center 4836 is at 7.322341 2.682425 -1.960444 ESP Fit Center 4837 is at 6.895101 2.682425 -1.960444 ESP Fit Center 4838 is at 6.681481 2.312425 -1.960444 ESP Fit Center 4839 is at 6.895101 1.942424 -1.960444 ESP Fit Center 4840 is at 7.322341 1.942424 -1.960444 ESP Fit Center 4841 is at 7.108721 2.312425 -2.008582 ESP Fit Center 4842 is at 7.469617 2.393814 3.546143 ESP Fit Center 4843 is at 7.896857 2.393814 3.498004 ESP Fit Center 4844 is at 7.683237 2.763815 3.498004 ESP Fit Center 4845 is at 7.255997 2.763815 3.498004 ESP Fit Center 4846 is at 7.042377 2.393814 3.498004 ESP Fit Center 4847 is at 7.255997 2.023814 3.498004 ESP Fit Center 4848 is at 7.683237 2.023814 3.498004 ESP Fit Center 4849 is at 8.302674 2.393814 3.356003 ESP Fit Center 4850 is at 8.191065 2.810343 3.356003 ESP Fit Center 4851 is at 7.886145 3.115263 3.356003 ESP Fit Center 4852 is at 7.469617 3.226871 3.356003 ESP Fit Center 4853 is at 7.053088 3.115263 3.356003 ESP Fit Center 4854 is at 6.748169 2.810343 3.356003 ESP Fit Center 4855 is at 6.636560 2.393814 3.356003 ESP Fit Center 4856 is at 6.748169 1.977286 3.356003 ESP Fit Center 4857 is at 7.053088 1.672366 3.356003 ESP Fit Center 4858 is at 7.469617 1.560758 3.356003 ESP Fit Center 4859 is at 7.886145 1.672366 3.356003 ESP Fit Center 4860 is at 8.191065 1.977286 3.356003 ESP Fit Center 4861 is at 8.666717 2.393814 3.127259 ESP Fit Center 4862 is at 8.594523 2.803247 3.127259 ESP Fit Center 4863 is at 8.386649 3.163296 3.127259 ESP Fit Center 4864 is at 8.068167 3.430534 3.127259 ESP Fit Center 4865 is at 7.677491 3.572728 3.127259 ESP Fit Center 4866 is at 7.261743 3.572728 3.127259 ESP Fit Center 4867 is at 6.871067 3.430534 3.127259 ESP Fit Center 4868 is at 6.552585 3.163296 3.127259 ESP Fit Center 4869 is at 7.677491 1.214901 3.127259 ESP Fit Center 4870 is at 8.068167 1.357095 3.127259 ESP Fit Center 4871 is at 8.386649 1.624333 3.127259 ESP Fit Center 4872 is at 8.594523 1.984382 3.127259 ESP Fit Center 4873 is at 8.970733 2.393814 2.823243 ESP Fit Center 4874 is at 8.909928 2.816728 2.823243 ESP Fit Center 4875 is at 8.732436 3.205379 2.823243 ESP Fit Center 4876 is at 8.452639 3.528283 2.823243 ESP Fit Center 4877 is at 8.093203 3.759278 2.823243 ESP Fit Center 4878 is at 7.683248 3.879652 2.823243 ESP Fit Center 4879 is at 7.255986 3.879652 2.823243 ESP Fit Center 4880 is at 6.846031 3.759278 2.823243 ESP Fit Center 4881 is at 6.486595 3.528283 2.823243 ESP Fit Center 4882 is at 8.093203 1.028351 2.823243 ESP Fit Center 4883 is at 8.452639 1.259346 2.823243 ESP Fit Center 4884 is at 8.732436 1.582250 2.823243 ESP Fit Center 4885 is at 8.909928 1.970901 2.823243 ESP Fit Center 4886 is at 9.199477 2.393814 2.459199 ESP Fit Center 4887 is at 9.149210 2.807797 2.459199 ESP Fit Center 4888 is at 9.001332 3.197721 2.459199 ESP Fit Center 4889 is at 8.764436 3.540924 2.459199 ESP Fit Center 4890 is at 8.452289 3.817461 2.459199 ESP Fit Center 4891 is at 8.083034 4.011262 2.459199 ESP Fit Center 4892 is at 7.678128 4.111062 2.459199 ESP Fit Center 4893 is at 7.261105 4.111062 2.459199 ESP Fit Center 4894 is at 6.856200 4.011262 2.459199 ESP Fit Center 4895 is at 8.452289 0.970167 2.459199 ESP Fit Center 4896 is at 8.764436 1.246705 2.459199 ESP Fit Center 4897 is at 9.001332 1.589908 2.459199 ESP Fit Center 4898 is at 9.149210 1.979832 2.459199 ESP Fit Center 4899 is at 9.341478 2.393814 2.053383 ESP Fit Center 4900 is at 9.294547 2.810343 2.053383 ESP Fit Center 4901 is at 9.156106 3.205985 2.053383 ESP Fit Center 4902 is at 8.933097 3.560901 2.053383 ESP Fit Center 4903 is at 8.636703 3.857295 2.053383 ESP Fit Center 4904 is at 8.281787 4.080303 2.053383 ESP Fit Center 4905 is at 7.886145 4.218745 2.053383 ESP Fit Center 4906 is at 7.469617 4.265676 2.053383 ESP Fit Center 4907 is at 7.053088 4.218745 2.053383 ESP Fit Center 4908 is at 8.636703 0.930334 2.053383 ESP Fit Center 4909 is at 8.933097 1.226728 2.053383 ESP Fit Center 4910 is at 9.156106 1.581644 2.053383 ESP Fit Center 4911 is at 9.294547 1.977286 2.053383 ESP Fit Center 4912 is at 9.389617 2.393814 1.626143 ESP Fit Center 4913 is at 9.344728 2.806558 1.626143 ESP Fit Center 4914 is at 9.212162 3.200002 1.626143 ESP Fit Center 4915 is at 8.998116 3.555749 1.626143 ESP Fit Center 4916 is at 8.712599 3.857166 1.626143 ESP Fit Center 4917 is at 8.368961 4.090158 1.626143 ESP Fit Center 4918 is at 7.983271 4.243830 1.626143 ESP Fit Center 4919 is at 7.573564 4.310999 1.626143 ESP Fit Center 4920 is at 8.998116 1.231880 1.626143 ESP Fit Center 4921 is at 9.212162 1.587627 1.626143 ESP Fit Center 4922 is at 9.344728 1.981071 1.626143 ESP Fit Center 4923 is at 9.341478 2.393814 1.198902 ESP Fit Center 4924 is at 9.294547 2.810343 1.198902 ESP Fit Center 4925 is at 9.156106 3.205985 1.198902 ESP Fit Center 4926 is at 8.933097 3.560901 1.198902 ESP Fit Center 4927 is at 8.636703 3.857295 1.198902 ESP Fit Center 4928 is at 8.281787 4.080303 1.198902 ESP Fit Center 4929 is at 7.886145 4.218745 1.198902 ESP Fit Center 4930 is at 9.156106 1.581644 1.198902 ESP Fit Center 4931 is at 9.294547 1.977286 1.198902 ESP Fit Center 4932 is at 9.199477 2.393814 0.793086 ESP Fit Center 4933 is at 9.149210 2.807797 0.793086 ESP Fit Center 4934 is at 9.001332 3.197721 0.793086 ESP Fit Center 4935 is at 8.764436 3.540924 0.793086 ESP Fit Center 4936 is at 8.452289 3.817461 0.793086 ESP Fit Center 4937 is at 9.149210 1.979832 0.793086 ESP Fit Center 4938 is at -4.789319 -0.132901 3.106512 ESP Fit Center 4939 is at -4.576466 0.239906 2.944377 ESP Fit Center 4940 is at -7.218039 -1.801027 1.373005 ESP Fit Center 4941 is at -7.715675 -1.114999 0.467045 ESP Fit Center 4942 is at -7.604865 -0.310585 0.075617 ESP Fit Center 4943 is at -7.775225 -0.698967 0.075617 ESP Fit Center 4944 is at -7.503959 0.034734 -0.336356 ESP Fit Center 4945 is at -7.722605 -0.322065 -0.336356 ESP Fit Center 4946 is at -7.882744 -0.708674 -0.336356 ESP Fit Center 4947 is at -4.929333 -4.166674 -0.336356 ESP Fit Center 4948 is at -4.522432 -4.068986 -0.336356 ESP Fit Center 4949 is at -7.850763 -0.523442 -0.758729 ESP Fit Center 4950 is at -7.975484 -0.917543 -0.758729 ESP Fit Center 4951 is at -5.243089 -4.230767 -0.758729 ESP Fit Center 4952 is at -4.832450 -4.183360 -0.758729 ESP Fit Center 4953 is at -7.980432 -1.115575 -1.181102 ESP Fit Center 4954 is at -5.346506 -4.199506 -1.181102 ESP Fit Center 4955 is at -7.879336 -1.110093 -1.593075 ESP Fit Center 4956 is at -7.914359 -1.532748 -1.593075 ESP Fit Center 4957 is at -5.558558 -4.091830 -1.593075 ESP Fit Center 4958 is at -7.752224 -1.532748 -1.984504 ESP Fit Center 4959 is at -5.764255 -3.901917 -1.984504 ESP Fit Center 4960 is at -7.520961 -1.740383 -2.345750 ESP Fit Center 4961 is at -7.442371 -2.148149 -2.345750 ESP Fit Center 4962 is at -6.438679 -3.424447 -2.345750 ESP Fit Center 4963 is at -6.060936 -3.596956 -2.345750 ESP Fit Center 4964 is at -5.657371 -3.694860 -2.345750 ESP Fit Center 4965 is at -3.853843 -0.342388 -2.667918 ESP Fit Center 4966 is at -4.156147 -0.040084 -2.667918 ESP Fit Center 4967 is at -7.207827 -1.957582 -2.667918 ESP Fit Center 4968 is at -7.066625 -2.361114 -2.667918 ESP Fit Center 4969 is at -6.839170 -2.723107 -2.667918 ESP Fit Center 4970 is at -6.536866 -3.025411 -2.667918 ESP Fit Center 4971 is at -6.174872 -3.252867 -2.667918 ESP Fit Center 4972 is at -5.771340 -3.394069 -2.667918 ESP Fit Center 4973 is at -3.972106 -0.739238 -2.943075 ESP Fit Center 4974 is at -4.224313 -0.410555 -2.943075 ESP Fit Center 4975 is at -6.879450 -1.943499 -2.943075 ESP Fit Center 4976 is at -6.720906 -2.326258 -2.943075 ESP Fit Center 4977 is at -6.468699 -2.654941 -2.943075 ESP Fit Center 4978 is at -6.140016 -2.907148 -2.943075 ESP Fit Center 4979 is at -5.757257 -3.065692 -2.943075 ESP Fit Center 4980 is at -4.407508 -0.744835 -3.164447 ESP Fit Center 4981 is at -6.498357 -1.951987 -3.164447 ESP Fit Center 4982 is at -6.285504 -2.320660 -3.164447 ESP Fit Center 4983 is at -5.959393 -2.594300 -3.164447 ESP Fit Center 4984 is at -5.559360 -2.739900 -3.164447 ESP Fit Center 4985 is at -4.623941 -1.115575 -3.326582 ESP Fit Center 4986 is at -6.069071 -1.949921 -3.326582 ESP Fit Center 4987 is at -5.763679 -2.255313 -3.326582 ESP Fit Center 4988 is at -5.346506 -2.367094 -3.326582 ESP Fit Center 4989 is at -4.924133 -1.532748 -3.425488 ESP Fit Center 4990 is at -5.135320 -1.166962 -3.425488 ESP Fit Center 4991 is at -5.768879 -1.532748 -3.425488 ESP Fit Center 4992 is at -5.557693 -1.898534 -3.425488 ESP Fit Center 4993 is at -5.135320 -1.898534 -3.425488 ESP Fit Center 4994 is at -5.346506 -1.532748 -3.458729 ESP Fit Center 4995 is at -4.243353 -1.964367 3.871142 ESP Fit Center 4996 is at -3.828575 -1.964367 3.836772 ESP Fit Center 4997 is at -4.035964 -1.605159 3.836772 ESP Fit Center 4998 is at -4.450742 -1.605159 3.836772 ESP Fit Center 4999 is at -4.658131 -1.964367 3.836772 ESP Fit Center 5000 is at -4.450742 -2.323576 3.836772 ESP Fit Center 5001 is at -4.035964 -2.323576 3.836772 ESP Fit Center 5002 is at -3.425110 -1.964367 3.734601 ESP Fit Center 5003 is at -3.534734 -1.555246 3.734601 ESP Fit Center 5004 is at -3.834232 -1.255748 3.734601 ESP Fit Center 5005 is at -4.243353 -1.146125 3.734601 ESP Fit Center 5006 is at -4.652474 -1.255748 3.734601 ESP Fit Center 5007 is at -4.951972 -1.555246 3.734601 ESP Fit Center 5008 is at -5.061596 -1.964367 3.734601 ESP Fit Center 5009 is at -4.951972 -2.373488 3.734601 ESP Fit Center 5010 is at -4.652474 -2.672986 3.734601 ESP Fit Center 5011 is at -4.243353 -2.782610 3.734601 ESP Fit Center 5012 is at -3.834232 -2.672986 3.734601 ESP Fit Center 5013 is at -3.534734 -2.373488 3.734601 ESP Fit Center 5014 is at -3.043965 -1.964367 3.567416 ESP Fit Center 5015 is at -3.116297 -1.554153 3.567416 ESP Fit Center 5016 is at -3.324569 -1.193416 3.567416 ESP Fit Center 5017 is at -3.643659 -0.925667 3.567416 ESP Fit Center 5018 is at -4.035081 -0.783201 3.567416 ESP Fit Center 5019 is at -4.451624 -0.783201 3.567416 ESP Fit Center 5020 is at -4.843047 -0.925667 3.567416 ESP Fit Center 5021 is at -5.162137 -1.193416 3.567416 ESP Fit Center 5022 is at -5.370408 -1.554153 3.567416 ESP Fit Center 5023 is at -5.442740 -1.964367 3.567416 ESP Fit Center 5024 is at -4.035081 -3.145533 3.567416 ESP Fit Center 5025 is at -3.643659 -3.003067 3.567416 ESP Fit Center 5026 is at -3.324569 -2.735319 3.567416 ESP Fit Center 5027 is at -3.116297 -2.374582 3.567416 ESP Fit Center 5028 is at -2.695537 -1.964367 3.339776 ESP Fit Center 5029 is at -2.752934 -1.546771 3.339776 ESP Fit Center 5030 is at -2.920869 -1.160147 3.339776 ESP Fit Center 5031 is at -3.186886 -0.833168 3.339776 ESP Fit Center 5032 is at -3.531257 -0.590084 3.339776 ESP Fit Center 5033 is at -3.928440 -0.448925 3.339776 ESP Fit Center 5034 is at -4.348980 -0.420159 3.339776 ESP Fit Center 5035 is at -4.761685 -0.505921 3.339776 ESP Fit Center 5036 is at -5.135948 -0.699848 3.339776 ESP Fit Center 5037 is at -5.444011 -0.987559 3.339776 ESP Fit Center 5038 is at -5.663027 -1.347716 3.339776 ESP Fit Center 5039 is at -3.928440 -3.479809 3.339776 ESP Fit Center 5040 is at -3.531257 -3.338650 3.339776 ESP Fit Center 5041 is at -3.186886 -3.095567 3.339776 ESP Fit Center 5042 is at -2.920869 -2.768588 3.339776 ESP Fit Center 5043 is at -2.752934 -2.381963 3.339776 ESP Fit Center 5044 is at -2.389329 -1.964367 3.057891 ESP Fit Center 5045 is at -2.439304 -1.536800 3.057891 ESP Fit Center 5046 is at -2.586536 -1.132283 3.057891 ESP Fit Center 5047 is at -2.823088 -0.772623 3.057891 ESP Fit Center 5048 is at -3.136206 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2.363414 ESP Fit Center 5067 is at -3.214701 -4.030179 2.363414 ESP Fit Center 5068 is at -2.852624 -3.805990 2.363414 ESP Fit Center 5069 is at -2.537906 -3.519087 2.363414 ESP Fit Center 5070 is at -2.281265 -3.179240 2.363414 ESP Fit Center 5071 is at -2.091441 -2.798022 2.363414 ESP Fit Center 5072 is at -1.974898 -2.388415 2.363414 ESP Fit Center 5073 is at -3.407836 -4.259932 1.969765 ESP Fit Center 5074 is at -3.021909 -4.079971 1.969765 ESP Fit Center 5075 is at -2.673094 -3.835728 1.969765 ESP Fit Center 5076 is at -2.371992 -3.534626 1.969765 ESP Fit Center 5077 is at -2.127749 -3.185812 1.969765 ESP Fit Center 5078 is at -1.947788 -2.799884 1.969765 ESP Fit Center 5079 is at -3.714254 -4.419392 1.559242 ESP Fit Center 5080 is at -3.306964 -4.294661 1.559242 ESP Fit Center 5081 is at -2.926611 -4.102891 1.559242 ESP Fit Center 5082 is at -2.584139 -3.849600 1.559242 ESP Fit Center 5083 is at -2.289399 -3.542074 1.559242 ESP Fit Center 5084 is at -2.050871 -3.189161 1.559242 ESP Fit Center 5085 is at -3.714254 -4.419392 1.143042 ESP Fit Center 5086 is at -3.306964 -4.294661 1.143042 ESP Fit Center 5087 is at -2.926611 -4.102891 1.143042 ESP Fit Center 5088 is at -2.584139 -3.849600 1.143042 ESP Fit Center 5089 is at -2.289399 -3.542074 1.143042 ESP Fit Center 5090 is at -3.819150 -4.370143 0.732518 ESP Fit Center 5091 is at -3.407836 -4.259932 0.732518 ESP Fit Center 5092 is at -3.021909 -4.079971 0.732518 ESP Fit Center 5093 is at -2.673094 -3.835728 0.732518 ESP Fit Center 5094 is at -4.030421 -4.262271 0.338869 ESP Fit Center 5095 is at -3.611807 -4.184019 0.338869 ESP Fit Center 5096 is at -3.214701 -4.030179 0.338869 ESP Fit Center 5097 is at -2.852624 -3.805990 0.338869 ESP Fit Center 5098 is at -4.350205 -4.071319 -0.027167 ESP Fit Center 5099 is at -3.923892 -4.049699 -0.027167 ESP Fit Center 5100 is at -3.510657 -3.942705 -0.027167 ESP Fit Center 5101 is at -3.127419 -3.754718 -0.027167 ESP Fit Center 5102 is at -3.136206 -3.451523 -0.355608 ESP Fit Center 5103 is at -0.630021 3.002889 1.981967 ESP Fit Center 5104 is at -0.019168 2.643680 1.879796 ESP Fit Center 5105 is at -0.128792 3.052802 1.879796 ESP Fit Center 5106 is at -0.428289 3.352299 1.879796 ESP Fit Center 5107 is at -0.837410 3.461923 1.879796 ESP Fit Center 5108 is at 0.361977 2.643680 1.712610 ESP Fit Center 5109 is at 0.289645 3.053895 1.712610 ESP Fit Center 5110 is at 0.081374 3.414632 1.712610 ESP Fit Center 5111 is at -0.237717 3.682380 1.712610 ESP Fit Center 5112 is at -0.629139 3.824846 1.712610 ESP Fit Center 5113 is at -1.045682 3.824846 1.712610 ESP Fit Center 5114 is at -1.437104 3.682380 1.712610 ESP Fit Center 5115 is at 0.289645 2.233466 1.712610 ESP Fit Center 5116 is at 0.710406 2.643680 1.484970 ESP Fit Center 5117 is at 0.653008 3.061276 1.484970 ESP Fit Center 5118 is at 0.485074 3.447901 1.484970 ESP Fit Center 5119 is at 0.219056 3.774880 1.484970 ESP Fit Center 5120 is at -0.125314 4.017963 1.484970 ESP Fit Center 5121 is at -0.522498 4.159122 1.484970 ESP Fit Center 5122 is at -0.943037 4.187888 1.484970 ESP Fit Center 5123 is at -1.355743 4.102127 1.484970 ESP Fit Center 5124 is at 0.485074 1.839460 1.484970 ESP Fit Center 5125 is at 0.653008 2.226085 1.484970 ESP Fit Center 5126 is at 1.016614 2.643680 1.203086 ESP Fit Center 5127 is at 0.966638 3.071248 1.203086 ESP Fit Center 5128 is at 0.819406 3.475765 1.203086 ESP Fit Center 5129 is at 0.582854 3.835424 1.203086 ESP Fit Center 5130 is at 0.269736 4.130836 1.203086 ESP Fit Center 5131 is at -0.103069 4.346075 1.203086 ESP Fit Center 5132 is at -0.515463 4.469538 1.203086 ESP Fit Center 5133 is at -0.945212 4.494568 1.203086 ESP Fit Center 5134 is at -1.369151 4.419816 1.203086 ESP Fit Center 5135 is at -1.764423 4.249312 1.203086 ESP Fit Center 5136 is at 0.966638 2.216113 1.203086 ESP Fit Center 5137 is at 1.272249 2.643680 0.874646 ESP Fit Center 5138 is at 1.229064 3.068352 0.874646 ESP Fit Center 5139 is at 1.101278 3.475637 0.874646 ESP Fit Center 5140 is at 0.894121 3.848862 0.874646 ESP Fit Center 5141 is at 0.616075 4.172746 0.874646 ESP Fit Center 5142 is at 0.278523 4.434031 0.874646 ESP Fit Center 5143 is at -0.104715 4.622018 0.874646 ESP Fit Center 5144 is at -0.517949 4.729012 0.874646 ESP Fit Center 5145 is at -0.944263 4.750632 0.874646 ESP Fit Center 5146 is at -1.366202 4.685993 0.874646 ESP Fit Center 5147 is at -1.766492 4.537742 0.874646 ESP Fit Center 5148 is at 1.229064 2.219009 0.874646 ESP Fit Center 5149 is at 1.470338 2.643680 0.508609 ESP Fit Center 5150 is at 1.431044 3.067728 0.508609 ESP Fit Center 5151 is at 1.314501 3.477335 0.508609 ESP Fit Center 5152 is at 1.124677 3.858553 0.508609 ESP Fit Center 5153 is at 0.868036 4.198401 0.508609 ESP Fit Center 5154 is at 0.553319 4.485304 0.508609 ESP Fit Center 5155 is at 0.191242 4.709492 0.508609 ESP Fit Center 5156 is at -0.205865 4.863332 0.508609 ESP Fit Center 5157 is at -0.624478 4.941585 0.508609 ESP Fit Center 5158 is at -1.050343 4.941585 0.508609 ESP Fit Center 5159 is at -1.468956 4.863332 0.508609 ESP Fit Center 5160 is at -1.866063 4.709492 0.508609 ESP Fit Center 5161 is at 1.431044 2.219633 0.508609 ESP Fit Center 5162 is at 1.605478 2.643680 0.114960 ESP Fit Center 5163 is at 1.568365 3.067883 0.114960 ESP Fit Center 5164 is at 1.458154 3.479197 0.114960 ESP Fit Center 5165 is at 1.278193 3.865125 0.114960 ESP Fit Center 5166 is at 1.033951 4.213939 0.114960 ESP Fit Center 5167 is at 0.732848 4.515042 0.114960 ESP Fit Center 5168 is at 0.384034 4.759284 0.114960 ESP Fit Center 5169 is at -0.001893 4.939245 0.114960 ESP Fit Center 5170 is at -0.413207 5.049456 0.114960 ESP Fit Center 5171 is at -0.837410 5.086569 0.114960 ESP Fit Center 5172 is at -1.261614 5.049456 0.114960 ESP Fit Center 5173 is at -1.672928 4.939245 0.114960 ESP Fit Center 5174 is at 1.673982 2.643680 -0.295564 ESP Fit Center 5175 is at 1.637858 3.068108 -0.295564 ESP Fit Center 5176 is at 1.530525 3.480325 -0.295564 ESP Fit Center 5177 is at 1.355071 3.868474 -0.295564 ESP Fit Center 5178 is at 1.116543 4.221388 -0.295564 ESP Fit Center 5179 is at 0.821803 4.528913 -0.295564 ESP Fit Center 5180 is at 0.479331 4.782205 -0.295564 ESP Fit Center 5181 is at 0.098979 4.973974 -0.295564 ESP Fit Center 5182 is at -0.308312 5.098706 -0.295564 ESP Fit Center 5183 is at -0.730824 5.152810 -0.295564 ESP Fit Center 5184 is at -1.156402 5.134732 -0.295564 ESP Fit Center 5185 is at -1.572804 5.044991 -0.295564 ESP Fit Center 5186 is at 1.637858 3.068108 -0.711764 ESP Fit Center 5187 is at 1.530525 3.480325 -0.711764 ESP Fit Center 5188 is at 1.355071 3.868474 -0.711764 ESP Fit Center 5189 is at 1.116543 4.221388 -0.711764 ESP Fit Center 5190 is at 0.821803 4.528913 -0.711764 ESP Fit Center 5191 is at 0.479331 4.782205 -0.711764 ESP Fit Center 5192 is at 0.098979 4.973974 -0.711764 ESP Fit Center 5193 is at -0.308312 5.098706 -0.711764 ESP Fit Center 5194 is at -0.730824 5.152810 -0.711764 ESP Fit Center 5195 is at -1.156402 5.134732 -0.711764 ESP Fit Center 5196 is at -1.572804 5.044991 -0.711764 ESP Fit Center 5197 is at -1.968049 4.886168 -0.711764 ESP Fit Center 5198 is at 1.568365 3.067883 -1.122287 ESP Fit Center 5199 is at 1.458154 3.479197 -1.122287 ESP Fit Center 5200 is at 1.278193 3.865125 -1.122287 ESP Fit Center 5201 is at 1.033951 4.213939 -1.122287 ESP Fit Center 5202 is at 0.732848 4.515042 -1.122287 ESP Fit Center 5203 is at 0.384034 4.759284 -1.122287 ESP Fit Center 5204 is at -0.001893 4.939245 -1.122287 ESP Fit Center 5205 is at -0.413207 5.049456 -1.122287 ESP Fit Center 5206 is at -0.837410 5.086569 -1.122287 ESP Fit Center 5207 is at -1.261614 5.049456 -1.122287 ESP Fit Center 5208 is at -1.672928 4.939245 -1.122287 ESP Fit Center 5209 is at -2.058855 4.759284 -1.122287 ESP Fit Center 5210 is at 1.431044 3.067728 -1.515936 ESP Fit Center 5211 is at 1.314501 3.477335 -1.515936 ESP Fit Center 5212 is at 1.124677 3.858553 -1.515936 ESP Fit Center 5213 is at 0.868036 4.198401 -1.515936 ESP Fit Center 5214 is at 0.553319 4.485304 -1.515936 ESP Fit Center 5215 is at 0.191242 4.709492 -1.515936 ESP Fit Center 5216 is at -0.205865 4.863332 -1.515936 ESP Fit Center 5217 is at -0.624478 4.941585 -1.515936 ESP Fit Center 5218 is at -1.050343 4.941585 -1.515936 ESP Fit Center 5219 is at -1.468956 4.863332 -1.515936 ESP Fit Center 5220 is at -1.866063 4.709492 -1.515936 ESP Fit Center 5221 is at -2.228140 4.485304 -1.515936 ESP Fit Center 5222 is at 1.229064 3.068352 -1.881973 ESP Fit Center 5223 is at 1.101278 3.475637 -1.881973 ESP Fit Center 5224 is at 0.894121 3.848862 -1.881973 ESP Fit Center 5225 is at 0.616075 4.172746 -1.881973 ESP Fit Center 5226 is at 0.278523 4.434031 -1.881973 ESP Fit Center 5227 is at -0.104715 4.622018 -1.881973 ESP Fit Center 5228 is at -0.517949 4.729012 -1.881973 ESP Fit Center 5229 is at -0.944263 4.750632 -1.881973 ESP Fit Center 5230 is at -1.366202 4.685993 -1.881973 ESP Fit Center 5231 is at -1.766492 4.537742 -1.881973 ESP Fit Center 5232 is at -2.128746 4.311948 -1.881973 ESP Fit Center 5233 is at 0.819406 3.475765 -2.210413 ESP Fit Center 5234 is at 0.582854 3.835424 -2.210413 ESP Fit Center 5235 is at 0.269736 4.130836 -2.210413 ESP Fit Center 5236 is at -0.103069 4.346075 -2.210413 ESP Fit Center 5237 is at -0.515463 4.469538 -2.210413 ESP Fit Center 5238 is at -0.945212 4.494568 -2.210413 ESP Fit Center 5239 is at -1.369151 4.419816 -2.210413 ESP Fit Center 5240 is at -1.764423 4.249312 -2.210413 ESP Fit Center 5241 is at -2.109719 3.992249 -2.210413 ESP Fit Center 5242 is at -2.386425 3.662483 -2.210413 ESP Fit Center 5243 is at 0.485074 3.447901 -2.492298 ESP Fit Center 5244 is at 0.219056 3.774880 -2.492298 ESP Fit Center 5245 is at -0.125314 4.017963 -2.492298 ESP Fit Center 5246 is at -0.522498 4.159122 -2.492298 ESP Fit Center 5247 is at -0.943037 4.187888 -2.492298 ESP Fit Center 5248 is at -1.355743 4.102127 -2.492298 ESP Fit Center 5249 is at -1.730006 3.908199 -2.492298 ESP Fit Center 5250 is at -2.038069 3.620488 -2.492298 ESP Fit Center 5251 is at -2.257085 3.260332 -2.492298 ESP Fit Center 5252 is at 0.289645 3.053895 -2.719937 ESP Fit Center 5253 is at 0.081374 3.414632 -2.719937 ESP Fit Center 5254 is at -0.237717 3.682380 -2.719937 ESP Fit Center 5255 is at -0.629139 3.824846 -2.719937 ESP Fit Center 5256 is at -1.045682 3.824846 -2.719937 ESP Fit Center 5257 is at -1.437104 3.682380 -2.719937 ESP Fit Center 5258 is at -1.756195 3.414632 -2.719937 ESP Fit Center 5259 is at -1.964466 3.053895 -2.719937 ESP Fit Center 5260 is at -0.128792 3.052802 -2.887123 ESP Fit Center 5261 is at -0.428289 3.352299 -2.887123 ESP Fit Center 5262 is at -0.837410 3.461923 -2.887123 ESP Fit Center 5263 is at -1.246532 3.352299 -2.887123 ESP Fit Center 5264 is at -1.546029 3.052802 -2.887123 ESP Fit Center 5265 is at -1.655653 2.643680 -2.887123 ESP Fit Center 5266 is at -0.630021 3.002889 -2.989294 ESP Fit Center 5267 is at -1.044800 3.002889 -2.989294 ESP Fit Center 5268 is at -1.252189 2.643680 -2.989294 ESP Fit Center 5269 is at -1.044800 2.284472 -2.989294 ESP Fit Center 5270 is at -0.837410 2.643680 -3.023664 ESP Fit Center 5271 is at -1.639215 1.791423 2.438052 ESP Fit Center 5272 is at -1.216842 1.791423 2.404810 ESP Fit Center 5273 is at -1.428029 2.157209 2.404810 ESP Fit Center 5274 is at -1.850402 1.425637 2.404810 ESP Fit Center 5275 is at -1.428029 1.425637 2.404810 ESP Fit Center 5276 is at -0.804869 1.791423 2.305904 ESP Fit Center 5277 is at -0.916651 2.208596 2.305904 ESP Fit Center 5278 is at -1.222042 2.513987 2.305904 ESP Fit Center 5279 is at -1.639215 2.625769 2.305904 ESP Fit Center 5280 is at -0.916651 1.374250 2.305904 ESP Fit Center 5281 is at -0.413441 1.791423 2.143769 ESP Fit Center 5282 is at -0.487364 2.210662 2.143769 ESP Fit Center 5283 is at -0.700218 2.579335 2.143769 ESP Fit Center 5284 is at -1.026328 2.852974 2.143769 ESP Fit Center 5285 is at -1.426362 2.998575 2.143769 ESP Fit Center 5286 is at -0.052195 1.791423 1.922397 ESP Fit Center 5287 is at -0.106272 2.202174 1.922397 ESP Fit Center 5288 is at -1.228464 3.324367 1.922397 ESP Fit Center 5289 is at 0.269973 1.791423 1.647240 ESP Fit Center 5290 is at -2.252103 2.852974 -2.667666 ESP Fit Center 5291 is at -2.791066 1.372183 -2.667666 ESP Fit Center 5292 is at -2.578213 1.003510 -2.667666 ESP Fit Center 5293 is at -2.056388 2.513987 -2.829801 ESP Fit Center 5294 is at -2.361780 2.208596 -2.829801 ESP Fit Center 5295 is at -2.473561 1.791423 -2.829801 ESP Fit Center 5296 is at -2.361780 1.374250 -2.829801 ESP Fit Center 5297 is at -2.056388 1.068858 -2.829801 ESP Fit Center 5298 is at -1.639215 0.957077 -2.829801 ESP Fit Center 5299 is at -1.428029 2.157209 -2.928707 ESP Fit Center 5300 is at -1.850402 2.157209 -2.928707 ESP Fit Center 5301 is at -2.061588 1.791423 -2.928707 ESP Fit Center 5302 is at -1.850402 1.425637 -2.928707 ESP Fit Center 5303 is at -1.639215 1.791423 -2.961948 ESP Fit Center 5304 is at -2.965960 2.136788 2.654500 ESP Fit Center 5305 is at -2.543587 2.136788 2.621258 ESP Fit Center 5306 is at -2.754773 2.502574 2.621258 ESP Fit Center 5307 is at -3.177146 2.502574 2.621258 ESP Fit Center 5308 is at -2.754773 1.771002 2.621258 ESP Fit Center 5309 is at -2.131614 2.136788 2.522352 ESP Fit Center 5310 is at -2.243395 2.553961 2.522352 ESP Fit Center 5311 is at -2.548787 2.859353 2.522352 ESP Fit Center 5312 is at -2.965960 2.971134 2.522352 ESP Fit Center 5313 is at -3.383133 2.859353 2.522352 ESP Fit Center 5314 is at -2.548787 1.414223 2.522352 ESP Fit Center 5315 is at -2.243395 1.719615 2.522352 ESP Fit Center 5316 is at -1.814109 2.556027 2.360217 ESP Fit Center 5317 is at -2.026962 2.924700 2.360217 ESP Fit Center 5318 is at -2.353073 3.198340 2.360217 ESP Fit Center 5319 is at -2.753106 3.343940 2.360217 ESP Fit Center 5320 is at -3.178813 3.343940 2.360217 ESP Fit Center 5321 is at -3.578847 3.198340 2.360217 ESP Fit Center 5322 is at -2.353073 1.075236 2.360217 ESP Fit Center 5323 is at -1.843767 3.258981 2.138845 ESP Fit Center 5324 is at -2.172450 3.511188 2.138845 ESP Fit Center 5325 is at -2.555209 3.669732 2.138845 ESP Fit Center 5326 is at -2.965960 3.723808 2.138845 ESP Fit Center 5327 is at -3.376711 3.669732 2.138845 ESP Fit Center 5328 is at -3.759470 3.511188 2.138845 ESP Fit Center 5329 is at -4.088153 3.258981 2.138845 ESP Fit Center 5330 is at -1.775600 3.629451 1.863688 ESP Fit Center 5331 is at -2.137594 3.856907 1.863688 ESP Fit Center 5332 is at -2.541125 3.998109 1.863688 ESP Fit Center 5333 is at -2.965960 4.045976 1.863688 ESP Fit Center 5334 is at -3.390794 3.998109 1.863688 ESP Fit Center 5335 is at -3.794326 3.856907 1.863688 ESP Fit Center 5336 is at -4.156319 3.629451 1.863688 ESP Fit Center 5337 is at -1.698915 3.916103 1.541520 ESP Fit Center 5338 is at -2.058550 4.123739 1.541520 ESP Fit Center 5339 is at -4.682972 3.487061 -1.632521 ESP Fit Center 5340 is at -4.458623 3.327147 -1.954689 ESP Fit Center 5341 is at -4.686079 2.965154 -1.954689 ESP Fit Center 5342 is at -2.555209 3.669732 -2.229846 ESP Fit Center 5343 is at -2.965960 3.723808 -2.229846 ESP Fit Center 5344 is at -3.376711 3.669732 -2.229846 ESP Fit Center 5345 is at -3.759470 3.511188 -2.229846 ESP Fit Center 5346 is at -4.088153 3.258981 -2.229846 ESP Fit Center 5347 is at -4.340360 2.930298 -2.229846 ESP Fit Center 5348 is at -4.498904 2.547539 -2.229846 ESP Fit Center 5349 is at -2.753106 3.343940 -2.451218 ESP Fit Center 5350 is at -3.178813 3.343940 -2.451218 ESP Fit Center 5351 is at -3.578847 3.198340 -2.451218 ESP Fit Center 5352 is at -3.904957 2.924700 -2.451218 ESP Fit Center 5353 is at -4.117811 2.556027 -2.451218 ESP Fit Center 5354 is at -4.191734 2.136788 -2.451218 ESP Fit Center 5355 is at -3.578847 1.075236 -2.451218 ESP Fit Center 5356 is at -3.178813 0.929636 -2.451218 ESP Fit Center 5357 is at -2.548787 2.859353 -2.613353 ESP Fit Center 5358 is at -2.965960 2.971134 -2.613353 ESP Fit Center 5359 is at -3.383133 2.859353 -2.613353 ESP Fit Center 5360 is at -3.688525 2.553961 -2.613353 ESP Fit Center 5361 is at -3.800306 2.136788 -2.613353 ESP Fit Center 5362 is at -3.688525 1.719615 -2.613353 ESP Fit Center 5363 is at -3.383133 1.414223 -2.613353 ESP Fit Center 5364 is at -2.965960 1.302442 -2.613353 ESP Fit Center 5365 is at -2.754773 2.502574 -2.712259 ESP Fit Center 5366 is at -3.177146 2.502574 -2.712259 ESP Fit Center 5367 is at -3.388333 2.136788 -2.712259 ESP Fit Center 5368 is at -3.177146 1.771002 -2.712259 ESP Fit Center 5369 is at -2.965960 2.136788 -2.745500 ESP Fit Center 5370 is at -4.029193 1.318179 2.913780 ESP Fit Center 5371 is at -3.606820 1.318179 2.880539 ESP Fit Center 5372 is at -3.818006 1.683965 2.880539 ESP Fit Center 5373 is at -4.240379 1.683965 2.880539 ESP Fit Center 5374 is at -4.451566 1.318179 2.880539 ESP Fit Center 5375 is at -4.240379 0.952393 2.880539 ESP Fit Center 5376 is at -3.818006 0.952393 2.880539 ESP Fit Center 5377 is at -3.194847 1.318179 2.781633 ESP Fit Center 5378 is at -3.306628 1.735352 2.781633 ESP Fit Center 5379 is at -3.612020 2.040744 2.781633 ESP Fit Center 5380 is at -4.029193 2.152525 2.781633 ESP Fit Center 5381 is at -4.446366 2.040744 2.781633 ESP Fit Center 5382 is at -4.751757 0.901006 2.781633 ESP Fit Center 5383 is at -2.803418 1.318179 2.619498 ESP Fit Center 5384 is at -3.416306 2.379731 2.619498 ESP Fit Center 5385 is at -3.816339 2.525331 2.619498 ESP Fit Center 5386 is at -4.242046 2.525331 2.619498 ESP Fit Center 5387 is at -4.029193 2.905199 2.398126 ESP Fit Center 5388 is at -4.822703 2.692579 -1.970566 ESP Fit Center 5389 is at -4.642080 2.379731 -2.191938 ESP Fit Center 5390 is at -4.968190 2.106092 -2.191938 ESP Fit Center 5391 is at -5.181044 1.737419 -2.191938 ESP Fit Center 5392 is at -5.254967 1.318179 -2.191938 ESP Fit Center 5393 is at -4.446366 2.040744 -2.354073 ESP Fit Center 5394 is at -4.751757 1.735352 -2.354073 ESP Fit Center 5395 is at -4.863539 1.318179 -2.354073 ESP Fit Center 5396 is at -4.029193 0.483833 -2.354073 ESP Fit Center 5397 is at -3.612020 0.595614 -2.354073 ESP Fit Center 5398 is at -4.240379 1.683965 -2.452979 ESP Fit Center 5399 is at -4.451566 1.318179 -2.452979 ESP Fit Center 5400 is at -4.240379 0.952393 -2.452979 ESP Fit Center 5401 is at -3.818006 0.952393 -2.452979 ESP Fit Center 5402 is at -4.029193 1.318179 -2.486220 ESP Fit Center 5403 is at -5.144021 1.737438 2.866779 ESP Fit Center 5404 is at -4.729243 1.737438 2.832410 ESP Fit Center 5405 is at -4.936632 2.096647 2.832410 ESP Fit Center 5406 is at -5.351410 2.096647 2.832410 ESP Fit Center 5407 is at -5.558800 1.737438 2.832410 ESP Fit Center 5408 is at -5.351410 1.378229 2.832410 ESP Fit Center 5409 is at -4.936632 1.378229 2.832410 ESP Fit Center 5410 is at -4.734900 2.446057 2.730239 ESP Fit Center 5411 is at -5.144021 2.555681 2.730239 ESP Fit Center 5412 is at -5.553143 2.446057 2.730239 ESP Fit Center 5413 is at -5.852640 2.146559 2.730239 ESP Fit Center 5414 is at -5.962264 1.737438 2.730239 ESP Fit Center 5415 is at -5.852640 1.328317 2.730239 ESP Fit Center 5416 is at -5.553143 1.028819 2.730239 ESP Fit Center 5417 is at -5.144021 0.919195 2.730239 ESP Fit Center 5418 is at -4.544328 2.776138 2.563053 ESP Fit Center 5419 is at -4.935750 2.918604 2.563053 ESP Fit Center 5420 is at -5.352293 2.918604 2.563053 ESP Fit Center 5421 is at -5.743715 2.776138 2.563053 ESP Fit Center 5422 is at -6.062805 2.508389 2.563053 ESP Fit Center 5423 is at -6.271077 2.147653 2.563053 ESP Fit Center 5424 is at -6.343409 1.737438 2.563053 ESP Fit Center 5425 is at -6.271077 1.327223 2.563053 ESP Fit Center 5426 is at -4.431925 3.111721 2.335414 ESP Fit Center 5427 is at -4.829109 3.252880 2.335414 ESP Fit Center 5428 is at -5.249648 3.281646 2.335414 ESP Fit Center 5429 is at -5.662353 3.195885 2.335414 ESP Fit Center 5430 is at -6.036616 3.001957 2.335414 ESP Fit Center 5431 is at -6.344680 2.714246 2.335414 ESP Fit Center 5432 is at -6.563696 2.354090 2.335414 ESP Fit Center 5433 is at -6.677421 1.948199 2.335414 ESP Fit Center 5434 is at -6.677421 1.526677 2.335414 ESP Fit Center 5435 is at -6.563696 1.120786 2.335414 ESP Fit Center 5436 is at -4.409680 3.439833 2.053529 ESP Fit Center 5437 is at -4.822073 3.563295 2.053529 ESP Fit Center 5438 is at -5.251823 3.588326 2.053529 ESP Fit Center 5439 is at -5.675761 3.513574 2.053529 ESP Fit Center 5440 is at -6.071033 3.343070 2.053529 ESP Fit Center 5441 is at -6.416330 3.086006 2.053529 ESP Fit Center 5442 is at -6.693036 2.756241 2.053529 ESP Fit Center 5443 is at -6.886234 2.371552 2.053529 ESP Fit Center 5444 is at -6.985509 1.952677 2.053529 ESP Fit Center 5445 is at -6.985509 1.522199 2.053529 ESP Fit Center 5446 is at -6.886234 1.103324 2.053529 ESP Fit Center 5447 is at -4.411325 3.715776 1.725089 ESP Fit Center 5448 is at -4.824560 3.822770 1.725089 ESP Fit Center 5449 is at -5.250874 3.844390 1.725089 ESP Fit Center 5450 is at -5.672813 3.779751 1.725089 ESP Fit Center 5451 is at -6.073103 3.631500 1.725089 ESP Fit Center 5452 is at -6.435357 3.405706 1.725089 ESP Fit Center 5453 is at -6.744743 3.111612 1.725089 ESP Fit Center 5454 is at -6.988595 2.761260 1.725089 ESP Fit Center 5455 is at -7.156930 2.368992 1.725089 ESP Fit Center 5456 is at -7.242857 1.950869 1.725089 ESP Fit Center 5457 is at -7.242857 1.524007 1.725089 ESP Fit Center 5458 is at -7.156930 1.105884 1.725089 ESP Fit Center 5459 is at -4.931089 4.035342 1.359052 ESP Fit Center 5460 is at -5.356954 4.035342 1.359052 ESP Fit Center 5461 is at -5.775567 3.957090 1.359052 ESP Fit Center 5462 is at -6.172673 3.803250 1.359052 ESP Fit Center 5463 is at -6.534751 3.579061 1.359052 ESP Fit Center 5464 is at -6.849468 3.292158 1.359052 ESP Fit Center 5465 is at -7.106109 2.952311 1.359052 ESP Fit Center 5466 is at -7.295933 2.571093 1.359052 ESP Fit Center 5467 is at -7.412476 2.161486 1.359052 ESP Fit Center 5468 is at -7.451770 1.737438 1.359052 ESP Fit Center 5469 is at -7.412476 1.313390 1.359052 ESP Fit Center 5470 is at -7.295933 0.903783 1.359052 ESP Fit Center 5471 is at -5.144021 4.180327 0.965403 ESP Fit Center 5472 is at -5.568224 4.143214 0.965403 ESP Fit Center 5473 is at -5.979538 4.033002 0.965403 ESP Fit Center 5474 is at -6.365466 3.853042 0.965403 ESP Fit Center 5475 is at -6.714280 3.608799 0.965403 ESP Fit Center 5476 is at -7.015383 3.307697 0.965403 ESP Fit Center 5477 is at -7.259625 2.958882 0.965403 ESP Fit Center 5478 is at -7.439586 2.572955 0.965403 ESP Fit Center 5479 is at -7.549797 2.161641 0.965403 ESP Fit Center 5480 is at -7.586910 1.737438 0.965403 ESP Fit Center 5481 is at -7.549797 1.313235 0.965403 ESP Fit Center 5482 is at -7.439586 0.901921 0.965403 ESP Fit Center 5483 is at -5.037435 4.246568 0.554879 ESP Fit Center 5484 is at -5.463013 4.228490 0.554879 ESP Fit Center 5485 is at -5.879414 4.138748 0.554879 ESP Fit Center 5486 is at -6.274660 3.979926 0.554879 ESP Fit Center 5487 is at -6.637379 3.756591 0.554879 ESP Fit Center 5488 is at -6.957137 3.475168 0.554879 ESP Fit Center 5489 is at -7.224735 3.143755 0.554879 ESP Fit Center 5490 is at -7.432474 2.771884 0.554879 ESP Fit Center 5491 is at -7.574379 2.370254 0.554879 ESP Fit Center 5492 is at -7.646367 1.950419 0.554879 ESP Fit Center 5493 is at -7.646367 1.524457 0.554879 ESP Fit Center 5494 is at -7.574379 1.104622 0.554879 ESP Fit Center 5495 is at -7.432474 0.702992 0.554879 ESP Fit Center 5496 is at -5.037435 4.246568 0.138680 ESP Fit Center 5497 is at -5.463013 4.228490 0.138680 ESP Fit Center 5498 is at -5.879414 4.138748 0.138680 ESP Fit Center 5499 is at -6.274660 3.979926 0.138680 ESP Fit Center 5500 is at -6.637379 3.756591 0.138680 ESP Fit Center 5501 is at -6.957137 3.475168 0.138680 ESP Fit Center 5502 is at -7.224735 3.143755 0.138680 ESP Fit Center 5503 is at -7.432474 2.771884 0.138680 ESP Fit Center 5504 is at -7.574379 2.370254 0.138680 ESP Fit Center 5505 is at -7.646367 1.950419 0.138680 ESP Fit Center 5506 is at -7.646367 1.524457 0.138680 ESP Fit Center 5507 is at -7.574379 1.104622 0.138680 ESP Fit Center 5508 is at -7.432474 0.702992 0.138680 ESP Fit Center 5509 is at -5.144021 4.180327 -0.271844 ESP Fit Center 5510 is at -5.568224 4.143214 -0.271844 ESP Fit Center 5511 is at -5.979538 4.033002 -0.271844 ESP Fit Center 5512 is at -6.365466 3.853042 -0.271844 ESP Fit Center 5513 is at -6.714280 3.608799 -0.271844 ESP Fit Center 5514 is at -7.015383 3.307697 -0.271844 ESP Fit Center 5515 is at -7.259625 2.958882 -0.271844 ESP Fit Center 5516 is at -7.439586 2.572955 -0.271844 ESP Fit Center 5517 is at -7.549797 2.161641 -0.271844 ESP Fit Center 5518 is at -7.586910 1.737438 -0.271844 ESP Fit Center 5519 is at -7.549797 1.313235 -0.271844 ESP Fit Center 5520 is at -7.439586 0.901921 -0.271844 ESP Fit Center 5521 is at -7.259625 0.515994 -0.271844 ESP Fit Center 5522 is at -5.356954 4.035342 -0.665493 ESP Fit Center 5523 is at -5.775567 3.957090 -0.665493 ESP Fit Center 5524 is at -6.172673 3.803250 -0.665493 ESP Fit Center 5525 is at -6.534751 3.579061 -0.665493 ESP Fit Center 5526 is at -6.849468 3.292158 -0.665493 ESP Fit Center 5527 is at -7.106109 2.952311 -0.665493 ESP Fit Center 5528 is at -7.295933 2.571093 -0.665493 ESP Fit Center 5529 is at -7.412476 2.161486 -0.665493 ESP Fit Center 5530 is at -7.451770 1.737438 -0.665493 ESP Fit Center 5531 is at -7.412476 1.313390 -0.665493 ESP Fit Center 5532 is at -7.295933 0.903783 -0.665493 ESP Fit Center 5533 is at -5.250874 3.844390 -1.031530 ESP Fit Center 5534 is at -5.672813 3.779751 -1.031530 ESP Fit Center 5535 is at -6.073103 3.631500 -1.031530 ESP Fit Center 5536 is at -6.435357 3.405706 -1.031530 ESP Fit Center 5537 is at -6.744743 3.111612 -1.031530 ESP Fit Center 5538 is at -6.988595 2.761260 -1.031530 ESP Fit Center 5539 is at -7.156930 2.368992 -1.031530 ESP Fit Center 5540 is at -7.242857 1.950869 -1.031530 ESP Fit Center 5541 is at -7.242857 1.524007 -1.031530 ESP Fit Center 5542 is at -7.156930 1.105884 -1.031530 ESP Fit Center 5543 is at -5.251823 3.588326 -1.359970 ESP Fit Center 5544 is at -5.675761 3.513574 -1.359970 ESP Fit Center 5545 is at -6.071033 3.343070 -1.359970 ESP Fit Center 5546 is at -6.416330 3.086006 -1.359970 ESP Fit Center 5547 is at -6.693036 2.756241 -1.359970 ESP Fit Center 5548 is at -6.886234 2.371552 -1.359970 ESP Fit Center 5549 is at -6.985509 1.952677 -1.359970 ESP Fit Center 5550 is at -6.985509 1.522199 -1.359970 ESP Fit Center 5551 is at -6.886234 1.103324 -1.359970 ESP Fit Center 5552 is at -5.249648 3.281646 -1.641855 ESP Fit Center 5553 is at -5.662353 3.195885 -1.641855 ESP Fit Center 5554 is at -6.036616 3.001957 -1.641855 ESP Fit Center 5555 is at -6.344680 2.714246 -1.641855 ESP Fit Center 5556 is at -6.563696 2.354090 -1.641855 ESP Fit Center 5557 is at -6.677421 1.948199 -1.641855 ESP Fit Center 5558 is at -6.677421 1.526677 -1.641855 ESP Fit Center 5559 is at -4.935750 2.918604 -1.869494 ESP Fit Center 5560 is at -5.352293 2.918604 -1.869494 ESP Fit Center 5561 is at -5.743715 2.776138 -1.869494 ESP Fit Center 5562 is at -6.062805 2.508389 -1.869494 ESP Fit Center 5563 is at -6.271077 2.147653 -1.869494 ESP Fit Center 5564 is at -6.343409 1.737438 -1.869494 ESP Fit Center 5565 is at -6.271077 1.327223 -1.869494 ESP Fit Center 5566 is at -5.144021 2.555681 -2.036680 ESP Fit Center 5567 is at -5.553143 2.446057 -2.036680 ESP Fit Center 5568 is at -5.852640 2.146559 -2.036680 ESP Fit Center 5569 is at -5.962264 1.737438 -2.036680 ESP Fit Center 5570 is at -5.852640 1.328317 -2.036680 ESP Fit Center 5571 is at -5.351410 2.096647 -2.138851 ESP Fit Center 5572 is at -5.558800 1.737438 -2.138851 ESP Fit Center 5573 is at -3.708901 -0.013936 2.992523 ESP Fit Center 5574 is at -3.286528 -0.013936 2.959281 ESP Fit Center 5575 is at -3.497715 0.351850 2.959281 ESP Fit Center 5576 is at -3.920088 0.351850 2.959281 ESP Fit Center 5577 is at -2.874555 -0.013936 2.860376 ESP Fit Center 5578 is at -2.986337 0.403237 2.860376 ESP Fit Center 5579 is at -3.291728 0.708629 2.860376 ESP Fit Center 5580 is at -3.708901 0.820410 2.860376 ESP Fit Center 5581 is at -4.126074 0.708629 2.860376 ESP Fit Center 5582 is at -4.431466 0.403237 2.860376 ESP Fit Center 5583 is at -2.557050 0.405303 2.698241 ESP Fit Center 5584 is at -2.769904 0.773976 2.698241 ESP Fit Center 5585 is at -3.497715 0.351850 -2.374236 ESP Fit Center 5586 is at -3.920088 0.351850 -2.374236 ESP Fit Center 5587 is at -3.708901 -0.013936 -2.407477 ESP Fit Center 5588 is at -2.417852 -0.451420 2.788524 ESP Fit Center 5589 is at -1.995479 -0.451420 2.755282 ESP Fit Center 5590 is at -2.206665 -0.085634 2.755282 ESP Fit Center 5591 is at -2.206665 -0.817206 2.755282 ESP Fit Center 5592 is at -1.583506 -0.451420 2.656376 ESP Fit Center 5593 is at -1.695287 -0.034247 2.656376 ESP Fit Center 5594 is at -2.000679 0.271145 2.656376 ESP Fit Center 5595 is at -2.417852 0.382926 2.656376 ESP Fit Center 5596 is at -2.000679 -1.173985 2.656376 ESP Fit Center 5597 is at -1.804965 0.610132 2.494241 ESP Fit Center 5598 is at -2.204998 0.755732 2.494241 ESP Fit Center 5599 is at -2.417852 -2.360608 -1.820665 ESP Fit Center 5600 is at -1.993018 -2.312741 -1.820665 ESP Fit Center 5601 is at -1.589486 -2.171539 -1.820665 ESP Fit Center 5602 is at -2.417852 -2.038440 -2.095822 ESP Fit Center 5603 is at -2.007101 -1.984364 -2.095822 ESP Fit Center 5604 is at -1.624342 -1.825820 -2.095822 ESP Fit Center 5605 is at -3.030739 0.610132 -2.317194 ESP Fit Center 5606 is at -2.630705 -1.658572 -2.317194 ESP Fit Center 5607 is at -2.204998 -1.658572 -2.317194 ESP Fit Center 5608 is at -1.804965 -1.512972 -2.317194 ESP Fit Center 5609 is at -2.835025 0.271145 -2.479329 ESP Fit Center 5610 is at -3.140417 -0.034247 -2.479329 ESP Fit Center 5611 is at -3.252198 -0.451420 -2.479329 ESP Fit Center 5612 is at -3.140417 -0.868593 -2.479329 ESP Fit Center 5613 is at -2.835025 -1.173985 -2.479329 ESP Fit Center 5614 is at -2.417852 -1.285766 -2.479329 ESP Fit Center 5615 is at -2.000679 -1.173985 -2.479329 ESP Fit Center 5616 is at -2.629038 -0.085634 -2.578235 ESP Fit Center 5617 is at -2.840225 -0.451420 -2.578235 ESP Fit Center 5618 is at -2.629038 -0.817206 -2.578235 ESP Fit Center 5619 is at -2.206665 -0.817206 -2.578235 ESP Fit Center 5620 is at -2.417852 -0.451420 -2.611476 ESP Fit Center 5621 is at -1.377790 0.348226 2.533324 ESP Fit Center 5622 is at -0.955417 0.348226 2.500083 ESP Fit Center 5623 is at -1.166603 0.714012 2.500083 ESP Fit Center 5624 is at -1.588976 0.714012 2.500083 ESP Fit Center 5625 is at -0.655225 0.765399 2.401177 ESP Fit Center 5626 is at -0.960617 1.070791 2.401177 ESP Fit Center 5627 is at -1.377790 1.182572 2.401177 ESP Fit Center 5628 is at -1.794963 1.070791 2.401177 ESP Fit Center 5629 is at -0.438792 1.136139 2.239042 ESP Fit Center 5630 is at -2.603564 0.348226 -2.572394 ESP Fit Center 5631 is at -1.990677 -0.713325 -2.572394 ESP Fit Center 5632 is at -1.590643 -0.858926 -2.572394 ESP Fit Center 5633 is at -2.100355 0.765399 -2.734529 ESP Fit Center 5634 is at -2.212136 0.348226 -2.734529 ESP Fit Center 5635 is at -2.100355 -0.068947 -2.734529 ESP Fit Center 5636 is at -1.794963 -0.374338 -2.734529 ESP Fit Center 5637 is at -1.588976 0.714012 -2.833434 ESP Fit Center 5638 is at -1.800163 0.348226 -2.833434 ESP Fit Center 5639 is at -1.588976 -0.017559 -2.833434 ESP Fit Center 5640 is at -5.553406 -0.419737 3.225626 ESP Fit Center 5641 is at -5.132011 -0.419737 3.184122 ESP Fit Center 5642 is at -5.342708 -0.054798 3.184122 ESP Fit Center 5643 is at -5.764103 -0.054798 3.184122 ESP Fit Center 5644 is at -5.974801 -0.419737 3.184122 ESP Fit Center 5645 is at -5.764103 -0.784675 3.184122 ESP Fit Center 5646 is at -5.140108 0.296117 3.061205 ESP Fit Center 5647 is at -5.553406 0.406860 3.061205 ESP Fit Center 5648 is at -5.966704 0.296117 3.061205 ESP Fit Center 5649 is at -6.269259 -0.006438 3.061205 ESP Fit Center 5650 is at -6.380002 -0.419737 3.061205 ESP Fit Center 5651 is at -6.269259 -0.833035 3.061205 ESP Fit Center 5652 is at -5.966704 -1.135590 3.061205 ESP Fit Center 5653 is at -4.953390 0.619521 2.861600 ESP Fit Center 5654 is at -5.345022 0.762064 2.861600 ESP Fit Center 5655 is at -5.761789 0.762064 2.861600 ESP Fit Center 5656 is at -6.153422 0.619521 2.861600 ESP Fit Center 5657 is at -6.472683 0.351629 2.861600 ESP Fit Center 5658 is at -6.681067 -0.009302 2.861600 ESP Fit Center 5659 is at -6.753437 -0.419737 2.861600 ESP Fit Center 5660 is at -6.681067 -0.830172 2.861600 ESP Fit Center 5661 is at -6.472683 -1.191102 2.861600 ESP Fit Center 5662 is at -6.064884 1.019426 2.592976 ESP Fit Center 5663 is at -6.434199 0.828063 2.592976 ESP Fit Center 5664 is at -6.738189 0.544156 2.592976 ESP Fit Center 5665 is at -6.954309 0.188762 2.592976 ESP Fit Center 5666 is at -7.066531 -0.211762 2.592976 ESP Fit Center 5667 is at -7.066531 -0.627711 2.592976 ESP Fit Center 5668 is at -6.954309 -1.028235 2.592976 ESP Fit Center 5669 is at -6.738189 -1.383629 2.592976 ESP Fit Center 5670 is at -6.785878 0.886608 2.265657 ESP Fit Center 5671 is at -7.053920 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Center 5780 is at -5.535589 -0.370259 -3.491551 ESP Fit Center 5781 is at -5.956984 -0.370259 -3.491551 ESP Fit Center 5782 is at -6.167682 -0.735198 -3.491551 ESP Fit Center 5783 is at -5.956984 -1.100137 -3.491551 ESP Fit Center 5784 is at -5.535589 -1.100137 -3.491551 ESP Fit Center 5785 is at -5.746286 -0.735198 -3.533055 ESP Fit Center 5786 is at -7.279163 -1.821033 1.247001 ESP Fit Center 5787 is at -7.351533 -2.231468 1.247001 ESP Fit Center 5788 is at -7.279163 -2.641903 1.247001 ESP Fit Center 5789 is at -7.070779 -3.002833 1.247001 ESP Fit Center 5790 is at -7.552405 -1.622969 0.978377 ESP Fit Center 5791 is at -7.664626 -2.023493 0.978377 ESP Fit Center 5792 is at -7.664626 -2.439442 0.978377 ESP Fit Center 5793 is at -7.552405 -2.839966 0.978377 ESP Fit Center 5794 is at -7.336285 -3.195360 0.978377 ESP Fit Center 5795 is at -7.032295 -3.479267 0.978377 ESP Fit Center 5796 is at -7.652016 -1.244564 0.651058 ESP Fit Center 5797 is at -7.839165 -1.617208 0.651058 ESP Fit Center 5798 is at -7.935332 -2.022968 0.651058 ESP Fit Center 5799 is at -7.935332 -2.439967 0.651058 ESP Fit Center 5800 is at -7.839165 -2.845727 0.651058 ESP Fit Center 5801 is at -7.652016 -3.218372 0.651058 ESP Fit Center 5802 is at -7.383974 -3.537812 0.651058 ESP Fit Center 5803 is at -7.049489 -3.786827 0.651058 ESP Fit Center 5804 is at -6.666593 -3.951992 0.651058 ESP Fit Center 5805 is at -7.974554 -1.419792 0.277623 ESP Fit Center 5806 is at -8.103473 -1.816563 0.277623 ESP Fit Center 5807 is at -8.147081 -2.231468 0.277623 ESP Fit Center 5808 is at -8.103473 -2.646372 0.277623 ESP Fit Center 5809 is at -7.974554 -3.043143 0.277623 ESP Fit Center 5810 is at -7.765960 -3.404440 0.277623 ESP Fit Center 5811 is at -7.486805 -3.714472 0.277623 ESP Fit Center 5812 is at -7.149291 -3.959690 0.277623 ESP Fit Center 5813 is at -6.768170 -4.129377 0.277623 ESP Fit Center 5814 is at -6.360096 -4.216115 0.277623 ESP Fit Center 5815 is at -5.942907 -4.216115 0.277623 ESP Fit Center 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Center 5834 is at -8.071386 -3.221237 -0.548974 ESP Fit Center 5835 is at -7.849376 -3.566691 -0.548974 ESP Fit Center 5836 is at -7.566001 -3.863887 -0.548974 ESP Fit Center 5837 is at -7.231502 -4.102082 -0.548974 ESP Fit Center 5838 is at -6.857968 -4.272669 -0.548974 ESP Fit Center 5839 is at -6.458902 -4.369482 -0.548974 ESP Fit Center 5840 is at -6.048725 -4.389021 -0.548974 ESP Fit Center 5841 is at -5.642262 -4.330581 -0.548974 ESP Fit Center 5842 is at -8.108737 -1.420754 -0.970369 ESP Fit Center 5843 is at -8.229291 -1.818169 -0.970369 ESP Fit Center 5844 is at -8.269998 -2.231468 -0.970369 ESP Fit Center 5845 is at -8.229291 -2.644766 -0.970369 ESP Fit Center 5846 is at -8.108737 -3.042181 -0.970369 ESP Fit Center 5847 is at -7.912967 -3.408441 -0.970369 ESP Fit Center 5848 is at -7.649505 -3.729471 -0.970369 ESP Fit Center 5849 is at -7.328475 -3.992933 -0.970369 ESP Fit Center 5850 is at -6.962215 -4.188703 -0.970369 ESP Fit Center 5851 is at -6.564800 -4.309257 -0.970369 ESP Fit Center 5852 is at -6.151502 -4.349964 -0.970369 ESP Fit Center 5853 is at -5.738203 -4.309257 -0.970369 ESP Fit Center 5854 is at -7.974554 -1.419792 -1.375570 ESP Fit Center 5855 is at -8.103473 -1.816563 -1.375570 ESP Fit Center 5856 is at -8.147081 -2.231468 -1.375570 ESP Fit Center 5857 is at -8.103473 -2.646372 -1.375570 ESP Fit Center 5858 is at -7.974554 -3.043143 -1.375570 ESP Fit Center 5859 is at -7.765960 -3.404440 -1.375570 ESP Fit Center 5860 is at -7.486805 -3.714472 -1.375570 ESP Fit Center 5861 is at -7.149291 -3.959690 -1.375570 ESP Fit Center 5862 is at -6.768170 -4.129377 -1.375570 ESP Fit Center 5863 is at -6.360096 -4.216115 -1.375570 ESP Fit Center 5864 is at -5.942907 -4.216115 -1.375570 ESP Fit Center 5865 is at -7.935332 -2.022968 -1.749005 ESP Fit Center 5866 is at -7.935332 -2.439967 -1.749005 ESP Fit Center 5867 is at -7.839165 -2.845727 -1.749005 ESP Fit Center 5868 is at -7.652016 -3.218372 -1.749005 ESP Fit Center 5869 is at -7.383974 -3.537812 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1.689629 ESP Fit Center 5888 is at -2.479262 4.465709 1.421005 ESP Fit Center 5889 is at -2.871194 4.605002 1.421005 ESP Fit Center 5890 is at -3.286173 4.633387 1.421005 ESP Fit Center 5891 is at -3.693421 4.548760 1.421005 ESP Fit Center 5892 is at -4.062736 4.357396 1.421005 ESP Fit Center 5893 is at -4.366726 4.073489 1.421005 ESP Fit Center 5894 is at -2.109461 4.550189 1.093686 ESP Fit Center 5895 is at -2.470594 4.758689 1.093686 ESP Fit Center 5896 is at -2.870075 4.878286 1.093686 ESP Fit Center 5897 is at -3.286369 4.902533 1.093686 ESP Fit Center 5898 is at -3.697034 4.830121 1.093686 ESP Fit Center 5899 is at -4.079930 4.664956 1.093686 ESP Fit Center 5900 is at -4.414415 4.415941 1.093686 ESP Fit Center 5901 is at -2.184153 4.837820 0.720250 ESP Fit Center 5902 is at -2.565275 5.007506 0.720250 ESP Fit Center 5903 is at -2.973348 5.094245 0.720250 ESP Fit Center 5904 is at -3.390538 5.094245 0.720250 ESP Fit Center 5905 is at -3.798611 5.007506 0.720250 ESP Fit Center 5906 is at -4.179733 4.837820 0.720250 ESP Fit Center 5907 is at -4.517246 4.592602 0.720250 ESP Fit Center 5908 is at -4.796401 4.282569 0.720250 ESP Fit Center 5909 is at -2.004969 4.871062 0.315049 ESP Fit Center 5910 is at -2.371229 5.066832 0.315049 ESP Fit Center 5911 is at -2.768645 5.187387 0.315049 ESP Fit Center 5912 is at -3.181943 5.228093 0.315049 ESP Fit Center 5913 is at -3.595241 5.187387 0.315049 ESP Fit Center 5914 is at -3.992656 5.066832 0.315049 ESP Fit Center 5915 is at -4.358916 4.871062 0.315049 ESP Fit Center 5916 is at -4.679946 4.607600 0.315049 ESP Fit Center 5917 is at -4.943408 4.286570 0.315049 ESP Fit Center 5918 is at -2.284646 5.074402 -0.106346 ESP Fit Center 5919 is at -2.672703 5.208710 -0.106346 ESP Fit Center 5920 is at -3.079166 5.267150 -0.106346 ESP Fit Center 5921 is at -3.489343 5.247611 -0.106346 ESP Fit Center 5922 is at -3.888410 5.150799 -0.106346 ESP Fit Center 5923 is at -4.261943 4.980212 -0.106346 ESP Fit Center 5924 is at -4.596442 4.742016 -0.106346 ESP Fit Center 5925 is at -4.879817 4.444820 -0.106346 ESP Fit Center 5926 is at -2.371229 5.066832 -0.527741 ESP Fit Center 5927 is at -2.768645 5.187387 -0.527741 ESP Fit Center 5928 is at -3.181943 5.228093 -0.527741 ESP Fit Center 5929 is at -3.595241 5.187387 -0.527741 ESP Fit Center 5930 is at -3.992656 5.066832 -0.527741 ESP Fit Center 5931 is at -4.358916 4.871062 -0.527741 ESP Fit Center 5932 is at -4.679946 4.607600 -0.527741 ESP Fit Center 5933 is at -4.943408 4.286570 -0.527741 ESP Fit Center 5934 is at -2.184153 4.837820 -0.932942 ESP Fit Center 5935 is at -2.565275 5.007506 -0.932942 ESP Fit Center 5936 is at -2.973348 5.094245 -0.932942 ESP Fit Center 5937 is at -3.390538 5.094245 -0.932942 ESP Fit Center 5938 is at -3.798611 5.007506 -0.932942 ESP Fit Center 5939 is at -4.179733 4.837820 -0.932942 ESP Fit Center 5940 is at -4.517246 4.592602 -0.932942 ESP Fit Center 5941 is at -4.796401 4.282569 -0.932942 ESP Fit Center 5942 is at -5.004996 3.921272 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ESP Fit Center 6141 is at -6.143241 -3.910520 2.758158 ESP Fit Center 6142 is at -5.808756 -4.159535 2.758158 ESP Fit Center 6143 is at -5.425860 -4.324700 2.758158 ESP Fit Center 6144 is at -5.015195 -4.397111 2.758158 ESP Fit Center 6145 is at -4.598901 -4.372865 2.758158 ESP Fit Center 6146 is at -4.199419 -4.253268 2.758158 ESP Fit Center 6147 is at -3.838287 -4.044768 2.758158 ESP Fit Center 6148 is at -6.733821 -1.792500 2.384723 ESP Fit Center 6149 is at -6.862740 -2.189271 2.384723 ESP Fit Center 6150 is at -6.906348 -2.604175 2.384723 ESP Fit Center 6151 is at -6.862740 -3.019080 2.384723 ESP Fit Center 6152 is at -6.733821 -3.415851 2.384723 ESP Fit Center 6153 is at -6.525226 -3.777148 2.384723 ESP Fit Center 6154 is at -6.246072 -4.087180 2.384723 ESP Fit Center 6155 is at -5.908558 -4.332398 2.384723 ESP Fit Center 6156 is at -5.527436 -4.502085 2.384723 ESP Fit Center 6157 is at -5.119363 -4.588823 2.384723 ESP Fit Center 6158 is at -4.702174 -4.588823 2.384723 ESP Fit Center 6159 is at -4.294100 -4.502085 2.384723 ESP Fit Center 6160 is at -3.912979 -4.332398 2.384723 ESP Fit Center 6161 is at -6.988558 -2.190877 1.979522 ESP Fit Center 6162 is at -7.029265 -2.604175 1.979522 ESP Fit Center 6163 is at -6.988558 -3.017474 1.979522 ESP Fit Center 6164 is at -6.868004 -3.414889 1.979522 ESP Fit Center 6165 is at -6.672234 -3.781149 1.979522 ESP Fit Center 6166 is at -6.408771 -4.102179 1.979522 ESP Fit Center 6167 is at -6.087742 -4.365641 1.979522 ESP Fit Center 6168 is at -5.721482 -4.561411 1.979522 ESP Fit Center 6169 is at -5.324067 -4.681965 1.979522 ESP Fit Center 6170 is at -4.910768 -4.722672 1.979522 ESP Fit Center 6171 is at -4.497470 -4.681965 1.979522 ESP Fit Center 6172 is at -4.100055 -4.561411 1.979522 ESP Fit Center 6173 is at -3.733795 -4.365641 1.979522 ESP Fit Center 6174 is at -7.060988 -2.398854 1.558127 ESP Fit Center 6175 is at -7.060988 -2.809497 1.558127 ESP Fit Center 6176 is at -6.983273 -3.212718 1.558127 ESP Fit Center 6177 is at -6.830653 -3.593945 1.558127 ESP Fit Center 6178 is at -6.608643 -3.939399 1.558127 ESP Fit Center 6179 is at -6.325268 -4.236595 1.558127 ESP Fit Center 6180 is at -5.990768 -4.474790 1.558127 ESP Fit Center 6181 is at -5.617235 -4.645377 1.558127 ESP Fit Center 6182 is at -5.218168 -4.742190 1.558127 ESP Fit Center 6183 is at -4.807991 -4.761729 1.558127 ESP Fit Center 6184 is at -4.401529 -4.703288 1.558127 ESP Fit Center 6185 is at -4.013472 -4.568981 1.558127 ESP Fit Center 6186 is at -6.868004 -3.414889 1.136732 ESP Fit Center 6187 is at -6.672234 -3.781149 1.136732 ESP Fit Center 6188 is at -6.408771 -4.102179 1.136732 ESP Fit Center 6189 is at -6.087742 -4.365641 1.136732 ESP Fit Center 6190 is at -5.721482 -4.561411 1.136732 ESP Fit Center 6191 is at -5.324067 -4.681965 1.136732 ESP Fit Center 6192 is at -4.910768 -4.722672 1.136732 ESP Fit Center 6193 is at -4.497470 -4.681965 1.136732 ESP Fit Center 6194 is at -4.100055 -4.561411 1.136732 ESP Fit Center 6195 is at 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0.115563 ESP Fit Center 6251 is at -0.916157 -3.308410 -0.296410 ESP Fit Center 6252 is at -0.543169 -3.510261 -0.296410 ESP Fit Center 6253 is at -0.142045 -3.647967 -0.296410 ESP Fit Center 6254 is at -0.714534 -3.242103 -0.687838 ESP Fit Center 6255 is at -0.334479 -3.419325 -0.687838 ESP Fit Center 6256 is at -0.942117 -2.809509 -1.049084 ESP Fit Center 6257 is at -0.603848 -3.050389 -1.049084 ESP Fit Center 6258 is at -0.226104 -3.222899 -1.049084 ESP Fit Center 6259 is at -0.702034 -2.651354 -1.371252 ESP Fit Center 6260 is at -0.340041 -2.878810 -1.371252 ESP Fit Center 6261 is at 0.063491 -3.020011 -1.371252 ESP Fit Center 6262 is at -0.305185 -2.533090 -1.646410 ESP Fit Center 6263 is at 0.077574 -2.691634 -1.646410 ESP Fit Center 6264 is at 1.749371 -1.700715 3.064826 ESP Fit Center 6265 is at 1.960557 -1.334929 3.031585 ESP Fit Center 6266 is at 1.538184 -1.334929 3.031585 ESP Fit Center 6267 is at 2.471936 -1.283542 2.932679 ESP Fit Center 6268 is at 2.166544 -0.978151 2.932679 ESP Fit Center 6269 is at 1.749371 -0.866369 2.932679 ESP Fit Center 6270 is at 2.901222 -1.281476 2.770544 ESP Fit Center 6271 is at 2.688369 -0.912803 2.770544 ESP Fit Center 6272 is at 2.362258 -0.639164 2.770544 ESP Fit Center 6273 is at 1.962224 -0.493563 2.770544 ESP Fit Center 6274 is at 2.871564 -0.578523 2.549172 ESP Fit Center 6275 is at 2.542881 -0.326316 2.549172 ESP Fit Center 6276 is at 2.160122 -0.167772 2.549172 ESP Fit Center 6277 is at 2.939730 -0.208052 2.274014 ESP Fit Center 6278 is at 2.577737 0.019404 2.274014 ESP Fit Center 6279 is at 2.174205 0.160606 2.274014 ESP Fit Center 6280 is at 3.016416 0.078600 1.951846 ESP Fit Center 6281 is at 2.656781 0.286236 1.951846 ESP Fit Center 6282 is at 2.264350 0.422057 1.951846 ESP Fit Center 6283 is at 2.572175 0.559920 1.590600 ESP Fit Center 6284 is at 2.379741 0.788562 1.199172 ESP Fit Center 6285 is at 0.344889 -3.850435 1.199172 ESP Fit Center 6286 is at 0.181890 -3.858168 0.787199 ESP Fit Center 6287 is at 0.538688 -4.076815 0.787199 ESP Fit Center 6288 is at 0.281739 -3.967002 0.364826 ESP Fit Center 6289 is at 0.644886 -4.164475 0.364826 ESP Fit Center 6290 is at 1.033921 -4.304200 0.364826 ESP Fit Center 6291 is at 0.181890 -3.858168 -0.057547 ESP Fit Center 6292 is at 0.538688 -4.076815 -0.057547 ESP Fit Center 6293 is at 0.925297 -4.236953 -0.057547 ESP Fit Center 6294 is at 1.332198 -4.334642 -0.057547 ESP Fit Center 6295 is at 1.749371 -4.367474 -0.057547 ESP Fit Center 6296 is at 2.166544 -4.334642 -0.057547 ESP Fit Center 6297 is at 0.344889 -3.850435 -0.469520 ESP Fit Center 6298 is at 0.717876 -4.052286 -0.469520 ESP Fit Center 6299 is at 1.119000 -4.189992 -0.469520 ESP Fit Center 6300 is at 1.537319 -4.259797 -0.469520 ESP Fit Center 6301 is at 1.961422 -4.259797 -0.469520 ESP Fit Center 6302 is at 0.203005 -3.543602 -0.860948 ESP Fit Center 6303 is at 0.546512 -3.784128 -0.860948 ESP Fit Center 6304 is at 0.926567 -3.961350 -0.860948 ESP Fit Center 6305 is at 1.331622 -4.069885 -0.860948 ESP Fit Center 6306 is at 1.749371 -4.106433 -0.860948 ESP Fit Center 6307 is at 0.318929 -3.351534 -1.222194 ESP Fit Center 6308 is at 0.657198 -3.592414 -1.222194 ESP Fit Center 6309 is at 1.034941 -3.764924 -1.222194 ESP Fit Center 6310 is at 1.438506 -3.862828 -1.222194 ESP Fit Center 6311 is at 1.853306 -3.882587 -1.222194 ESP Fit Center 6312 is at 0.256707 -2.891075 -1.544362 ESP Fit Center 6313 is at 0.559011 -3.193379 -1.544362 ESP Fit Center 6314 is at 0.921005 -3.420835 -1.544362 ESP Fit Center 6315 is at 1.324537 -3.562036 -1.544362 ESP Fit Center 6316 is at 0.374971 -2.494225 -1.819520 ESP Fit Center 6317 is at 0.627178 -2.822908 -1.819520 ESP Fit Center 6318 is at 1.945535 -3.770536 -1.505242 ESP Fit Center 6319 is at 0.492493 -2.484117 -1.896670 ESP Fit Center 6320 is at 0.733019 -2.827624 -1.896670 ESP Fit Center 6321 is at 1.029540 -3.124145 -1.896670 ESP Fit Center 6322 is at 1.373047 -3.364671 -1.896670 ESP Fit Center 6323 is at 1.753102 -3.541894 -1.896670 ESP Fit Center 6324 is at 2.158157 -3.650428 -1.896670 ESP Fit Center 6325 is at 0.858894 -2.631532 -2.257916 ESP Fit Center 6326 is at 1.145463 -2.932077 -2.257916 ESP Fit Center 6327 is at 1.483733 -3.172958 -2.257916 ESP Fit Center 6328 is at 1.861476 -3.345467 -2.257916 ESP Fit Center 6329 is at 2.265041 -3.443371 -2.257916 ESP Fit Center 6330 is at 1.385546 -2.773922 -2.580084 ESP Fit Center 6331 is at 1.747540 -3.001378 -2.580084 ESP Fit Center 6332 is at 2.151071 -3.142580 -2.580084 ESP Fit Center 6333 is at 1.782395 -2.655658 -2.855242 ESP Fit Center 6334 is at 2.165154 -2.814202 -2.855242 ESP Fit Center 6335 is at 2.506455 2.066245 -0.303906 ESP Fit Center 6336 is at 2.719077 2.186352 -0.695334 ESP Fit Center 6337 is at 3.299389 2.073175 -1.107307 ESP Fit Center 6338 is at 2.912780 2.233313 -1.107307 ESP Fit Center 6339 is at 3.378550 2.069058 -1.529680 ESP Fit Center 6340 is at 3.001352 2.238154 -1.529680 ESP Fit Center 6341 is at 2.602762 2.347688 -1.529680 ESP Fit Center 6342 is at 2.912780 2.233313 -1.952053 ESP Fit Center 6343 is at 2.505879 2.331002 -1.952053 ESP Fit Center 6344 is at 0.684224 -2.452645 -2.364026 ESP Fit Center 6345 is at 0.542341 -2.145811 -2.755455 ESP Fit Center 6346 is at 0.885847 -2.386337 -2.755455 ESP Fit Center 6347 is at 1.265902 -2.563560 -2.755455 ESP Fit Center 6348 is at 0.658264 -1.953743 -3.116700 ESP Fit Center 6349 is at 0.996533 -2.194624 -3.116700 ESP Fit Center 6350 is at 1.374277 -2.367133 -3.116700 ESP Fit Center 6351 is at 1.777841 -2.465037 -3.116700 ESP Fit Center 6352 is at 2.192642 -2.484796 -3.116700 ESP Fit Center 6353 is at 2.603685 -2.425697 -3.116700 ESP Fit Center 6354 is at 0.596043 -1.493284 -3.438869 ESP Fit Center 6355 is at 0.898347 -1.795588 -3.438869 ESP Fit Center 6356 is at 1.260340 -2.023044 -3.438869 ESP Fit Center 6357 is at 1.663872 -2.164246 -3.438869 ESP Fit Center 6358 is at 2.088706 -2.212113 -3.438869 ESP Fit Center 6359 is at 2.513541 -2.164246 -3.438869 ESP Fit Center 6360 is at 0.714306 -1.096435 -3.714026 ESP Fit Center 6361 is at 0.966513 -1.425117 -3.714026 ESP Fit Center 6362 is at 1.295196 -1.677324 -3.714026 ESP Fit Center 6363 is at 1.677955 -1.835868 -3.714026 ESP Fit Center 6364 is at 2.088706 -1.889945 -3.714026 ESP Fit Center 6365 is at 2.499457 -1.835868 -3.714026 ESP Fit Center 6366 is at 2.882216 -1.677324 -3.714026 ESP Fit Center 6367 is at 0.936855 -0.722164 -3.935398 ESP Fit Center 6368 is at 1.149709 -1.090837 -3.935398 ESP Fit Center 6369 is at 1.475819 -1.364476 -3.935398 ESP Fit Center 6370 is at 1.875853 -1.510077 -3.935398 ESP Fit Center 6371 is at 2.301560 -1.510077 -3.935398 ESP Fit Center 6372 is at 1.366141 0.114248 -4.097533 ESP Fit Center 6373 is at 1.254360 -0.302925 -4.097533 ESP Fit Center 6374 is at 1.366141 -0.720098 -4.097533 ESP Fit Center 6375 is at 1.671533 -1.025489 -4.097533 ESP Fit Center 6376 is at 2.088706 -1.137270 -4.097533 ESP Fit Center 6377 is at 2.200165 1.031988 0.818229 ESP Fit Center 6378 is at 1.947958 1.360671 0.818229 ESP Fit Center 6379 is at 2.318428 1.428838 0.543071 ESP Fit Center 6380 is at 2.016124 1.731142 0.543071 ESP Fit Center 6381 is at 1.654131 1.958598 0.543071 ESP Fit Center 6382 is at 2.406650 1.745850 0.220903 ESP Fit Center 6383 is at 2.092810 2.017794 0.220903 ESP Fit Center 6384 is at 1.733175 2.225429 0.220903 ESP Fit Center 6385 is at 2.372130 2.081365 -0.140343 ESP Fit Center 6386 is at 2.028624 2.321891 -0.140343 ESP Fit Center 6387 is at 2.230247 2.388198 -0.531771 ESP Fit Center 6388 is at 1.857259 2.590049 -0.531771 ESP Fit Center 6389 is at 2.393246 2.395931 -0.943744 ESP Fit Center 6390 is at 2.036448 2.614578 -0.943744 ESP Fit Center 6391 is at 1.649838 2.774716 -0.943744 ESP Fit Center 6392 is at 2.462573 2.385769 -1.366117 ESP Fit Center 6393 is at 2.115608 2.610461 -1.366117 ESP Fit Center 6394 is at 1.738410 2.779556 -1.366117 ESP Fit Center 6395 is at 2.393246 2.395931 -1.788490 ESP Fit Center 6396 is at 2.036448 2.614578 -1.788490 ESP Fit Center 6397 is at 2.230247 2.388198 -2.200463 ESP Fit Center 6398 is at 0.195394 -2.250799 -2.200463 ESP Fit Center 6399 is at -1.257648 -0.964380 -2.591891 ESP Fit Center 6400 is at -1.017122 -1.307887 -2.591891 ESP Fit Center 6401 is at -0.720601 -1.604408 -2.591891 ESP Fit Center 6402 is at -0.377094 -1.844934 -2.591891 ESP Fit Center 6403 is at 0.002961 -2.022157 -2.591891 ESP Fit Center 6404 is at 0.408016 -2.130691 -2.591891 ESP Fit Center 6405 is at -1.348690 0.030843 -2.953137 ESP Fit Center 6406 is at -1.270100 -0.376923 -2.953137 ESP Fit Center 6407 is at -1.115759 -0.762447 -2.953137 ESP Fit Center 6408 is at -0.891247 -1.111795 -2.953137 ESP Fit Center 6409 is at -0.604678 -1.412340 -2.953137 ESP Fit Center 6410 is at -0.266408 -1.653221 -2.953137 ESP Fit Center 6411 is at 0.111335 -1.825730 -2.953137 ESP Fit Center 6412 is at -1.035556 -0.186356 -3.275305 ESP Fit Center 6413 is at -0.894354 -0.589887 -3.275305 ESP Fit Center 6414 is at -0.666899 -0.951881 -3.275305 ESP Fit Center 6415 is at -0.364595 -1.254185 -3.275305 ESP Fit Center 6416 is at -0.002601 -1.481641 -3.275305 ESP Fit Center 6417 is at 0.400930 -1.622843 -3.275305 ESP Fit Center 6418 is at -0.707179 -0.172273 -3.550463 ESP Fit Center 6419 is at -0.548635 -0.555032 -3.550463 ESP Fit Center 6420 is at -0.296428 -0.883714 -3.550463 ESP Fit Center 6421 is at 0.032255 -1.135921 -3.550463 ESP Fit Center 6422 is at 0.415014 -1.294465 -3.550463 ESP Fit Center 6423 is at -0.326086 -0.180761 -3.771835 ESP Fit Center 6424 is at -0.113233 -0.549434 -3.771835 ESP Fit Center 6425 is at 0.212878 -0.823073 -3.771835 ESP Fit Center 6426 is at 0.612911 -0.968674 -3.771835 ESP Fit Center 6427 is at 0.103200 -0.178695 -3.933970 ESP Fit Center 6428 is at 0.408592 -0.484086 -3.933970 ESP Fit Center 6429 is at 0.825765 -0.595868 -3.933970 ESP Fit Center 6430 is at 0.614578 -0.127307 -4.032876 ESP Fit Center 6431 is at 1.036951 -0.127307 -4.032876 ESP Fit Center 6432 is at 0.825765 0.238478 -4.066117 ESP Fit Center 6433 is at -0.115248 -1.485114 3.526514 ESP Fit Center 6434 is at 0.306147 -1.485114 3.485010 ESP Fit Center 6435 is at 0.095450 -1.120175 3.485010 ESP Fit Center 6436 is at -0.325945 -1.120175 3.485010 ESP Fit Center 6437 is at -0.536643 -1.485114 3.485010 ESP Fit Center 6438 is at -0.325945 -1.850053 3.485010 ESP Fit Center 6439 is at 0.095450 -1.850053 3.485010 ESP Fit Center 6440 is at 0.711348 -1.485114 3.362094 ESP Fit Center 6441 is at 0.600606 -1.071816 3.362094 ESP Fit Center 6442 is at 0.298050 -0.769261 3.362094 ESP Fit Center 6443 is at -0.115248 -0.658518 3.362094 ESP Fit Center 6444 is at -0.528546 -0.769261 3.362094 ESP Fit Center 6445 is at -0.831101 -1.071816 3.362094 ESP Fit Center 6446 is at -0.941844 -1.485114 3.362094 ESP Fit Center 6447 is at -0.831101 -1.898412 3.362094 ESP Fit Center 6448 is at -0.528546 -2.200968 3.362094 ESP Fit Center 6449 is at -0.115248 -2.311710 3.362094 ESP Fit Center 6450 is at 0.298050 -2.200968 3.362094 ESP Fit Center 6451 is at 0.600606 -1.898412 3.362094 ESP Fit Center 6452 is at 1.084784 -1.485114 3.162488 ESP Fit Center 6453 is at 0.484768 -0.445856 3.162488 ESP Fit Center 6454 is at 0.093136 -0.303314 3.162488 ESP Fit Center 6455 is at -0.323631 -0.303314 3.162488 ESP Fit Center 6456 is at -0.715264 -0.445856 3.162488 ESP Fit Center 6457 is at -1.034525 -0.713749 3.162488 ESP Fit Center 6458 is at -1.242909 -1.074679 3.162488 ESP Fit Center 6459 is at -1.315279 -1.485114 3.162488 ESP Fit Center 6460 is at -1.242909 -1.895549 3.162488 ESP Fit Center 6461 is at -1.034525 -2.256480 3.162488 ESP Fit Center 6462 is at -0.715264 -2.524372 3.162488 ESP Fit Center 6463 is at -0.323631 -2.666915 3.162488 ESP Fit Center 6464 is at 0.093136 -2.666915 3.162488 ESP Fit Center 6465 is at 0.484768 -2.524372 3.162488 ESP Fit Center 6466 is at 0.804030 -2.256480 3.162488 ESP Fit Center 6467 is at 1.012413 -1.895549 3.162488 ESP Fit Center 6468 is at -0.219478 0.038676 2.893864 ESP Fit Center 6469 is at -0.626726 -0.045951 2.893864 ESP Fit Center 6470 is at -0.996041 -0.237315 2.893864 ESP Fit Center 6471 is at -1.300031 -0.521222 2.893864 ESP Fit Center 6472 is at -1.516151 -0.876616 2.893864 ESP Fit Center 6473 is at -1.628373 -1.277140 2.893864 ESP Fit Center 6474 is at -1.628373 -1.693088 2.893864 ESP Fit Center 6475 is at -1.516151 -2.093612 2.893864 ESP Fit Center 6476 is at -1.300031 -2.449007 2.893864 ESP Fit Center 6477 is at -0.996041 -2.732914 2.893864 ESP Fit Center 6478 is at -0.626726 -2.924277 2.893864 ESP Fit Center 6479 is at -0.219478 -3.008904 2.893864 ESP Fit Center 6480 is at 0.195501 -2.980519 2.893864 ESP Fit Center 6481 is at 0.587433 -2.841226 2.893864 ESP Fit Center 6482 is at 0.927250 -2.601357 2.893864 ESP Fit Center 6483 is at -0.630339 0.235410 2.566545 ESP Fit Center 6484 is at -1.013235 0.070245 2.566545 ESP Fit Center 6485 is at -1.347720 -0.178770 2.566545 ESP Fit Center 6486 is at -1.899078 -1.693614 2.566545 ESP Fit Center 6487 is at -1.802912 -2.099374 2.566545 ESP Fit Center 6488 is at -1.615762 -2.472018 2.566545 ESP Fit Center 6489 is at -1.347720 -2.791459 2.566545 ESP Fit Center 6490 is at -1.013235 -3.040474 2.566545 ESP Fit Center 6491 is at -0.630339 -3.205639 2.566545 ESP Fit Center 6492 is at -0.219674 -3.278050 2.566545 ESP Fit Center 6493 is at 0.196620 -3.253804 2.566545 ESP Fit Center 6494 is at 0.596101 -3.134207 2.566545 ESP Fit Center 6495 is at -1.729706 -2.658087 2.193110 ESP Fit Center 6496 is at -1.450551 -2.968119 2.193110 ESP Fit Center 6497 is at -1.113038 -3.213337 2.193110 ESP Fit Center 6498 is at -0.731916 -3.383023 2.193110 ESP Fit Center 6499 is at -0.323843 -3.469762 2.193110 ESP Fit Center 6500 is at 0.093347 -3.469762 2.193110 ESP Fit Center 6501 is at 0.501420 -3.383023 2.193110 ESP Fit Center 6502 is at -1.613251 -2.983117 1.787909 ESP Fit Center 6503 is at -1.292221 -3.246579 1.787909 ESP Fit Center 6504 is at -0.925961 -3.442350 1.787909 ESP Fit Center 6505 is at -0.528546 -3.562904 1.787909 ESP Fit Center 6506 is at -0.115248 -3.603610 1.787909 ESP Fit Center 6507 is at 0.298050 -3.562904 1.787909 ESP Fit Center 6508 is at -1.195248 -3.355729 1.366514 ESP Fit Center 6509 is at -0.821715 -3.526316 1.366514 ESP Fit Center 6510 is at -0.422648 -3.623129 1.366514 ESP Fit Center 6511 is at -0.925961 -3.442350 0.945119 ESP Fit Center 6512 is at 2.094944 -2.454398 3.211741 ESP Fit Center 6513 is at 2.516339 -2.454398 3.170237 ESP Fit Center 6514 is at 2.305641 -2.089459 3.170237 ESP Fit Center 6515 is at 1.884246 -2.089459 3.170237 ESP Fit Center 6516 is at 1.673549 -2.454398 3.170237 ESP Fit Center 6517 is at 1.884246 -2.819337 3.170237 ESP Fit Center 6518 is at 2.305641 -2.819337 3.170237 ESP Fit Center 6519 is at 2.921540 -2.454398 3.047321 ESP Fit Center 6520 is at 2.810797 -2.041100 3.047321 ESP Fit Center 6521 is at 2.508242 -1.738544 3.047321 ESP Fit Center 6522 is at 2.094944 -1.627801 3.047321 ESP Fit Center 6523 is at 1.379091 -2.041100 3.047321 ESP Fit Center 6524 is at 1.268348 -2.454398 3.047321 ESP Fit Center 6525 is at 1.379091 -2.867696 3.047321 ESP Fit Center 6526 is at 1.681646 -3.170251 3.047321 ESP Fit Center 6527 is at 2.094944 -3.280994 3.047321 ESP Fit Center 6528 is at 2.508242 -3.170251 3.047321 ESP Fit Center 6529 is at 2.810797 -2.867696 3.047321 ESP Fit Center 6530 is at 3.294976 -2.454398 2.847716 ESP Fit Center 6531 is at 3.222605 -2.043963 2.847716 ESP Fit Center 6532 is at 3.014221 -1.683032 2.847716 ESP Fit Center 6533 is at 0.967283 -2.864833 2.847716 ESP Fit Center 6534 is at 1.175666 -3.225763 2.847716 ESP Fit Center 6535 is at 1.494928 -3.493656 2.847716 ESP Fit Center 6536 is at 1.886561 -3.636198 2.847716 ESP Fit Center 6537 is at 2.303327 -3.636198 2.847716 ESP Fit Center 6538 is at 2.694960 -3.493656 2.847716 ESP Fit Center 6539 is at 3.014221 -3.225763 2.847716 ESP Fit Center 6540 is at 3.222605 -2.864833 2.847716 ESP Fit Center 6541 is at 0.910161 -3.418290 2.579092 ESP Fit Center 6542 is at 1.214151 -3.702197 2.579092 ESP Fit Center 6543 is at 1.583465 -3.893560 2.579092 ESP Fit Center 6544 is at 1.990714 -3.978188 2.579092 ESP Fit Center 6545 is at 2.405693 -3.949802 2.579092 ESP Fit Center 6546 is at 2.797625 -3.810510 2.579092 ESP Fit Center 6547 is at 3.137442 -3.570640 2.579092 ESP Fit Center 6548 is at 3.399942 -3.247985 2.579092 ESP Fit Center 6549 is at 3.565656 -2.866472 2.579092 ESP Fit Center 6550 is at 0.594429 -3.441302 2.251773 ESP Fit Center 6551 is at 0.862471 -3.760742 2.251773 ESP Fit Center 6552 is at 1.196957 -4.009757 2.251773 ESP Fit Center 6553 is at 1.579853 -4.174922 2.251773 ESP Fit Center 6554 is at 1.990517 -4.247334 2.251773 ESP Fit Center 6555 is at 2.406812 -4.223087 2.251773 ESP Fit Center 6556 is at 2.806293 -4.103490 2.251773 ESP Fit Center 6557 is at 3.167425 -3.894990 2.251773 ESP Fit Center 6558 is at 3.470740 -3.608828 2.251773 ESP Fit Center 6559 is at 3.699885 -3.260429 2.251773 ESP Fit Center 6560 is at 0.480486 -3.627370 1.878337 ESP Fit Center 6561 is at 0.759640 -3.937402 1.878337 ESP Fit Center 6562 is at 1.097154 -4.182620 1.878337 ESP Fit Center 6563 is at 1.478276 -4.352307 1.878337 ESP Fit Center 6564 is at 1.886349 -4.439045 1.878337 ESP Fit Center 6565 is at 2.303539 -4.439045 1.878337 ESP Fit Center 6566 is at 2.711612 -4.352307 1.878337 ESP Fit Center 6567 is at 3.092734 -4.182620 1.878337 ESP Fit Center 6568 is at 3.430247 -3.937402 1.878337 ESP Fit Center 6569 is at 3.709402 -3.627370 1.878337 ESP Fit Center 6570 is at 0.596941 -3.952401 1.473136 ESP Fit Center 6571 is at 0.917970 -4.215863 1.473136 ESP Fit Center 6572 is at 1.284230 -4.411633 1.473136 ESP Fit Center 6573 is at 1.681646 -4.532188 1.473136 ESP Fit Center 6574 is at 2.094944 -4.572894 1.473136 ESP Fit Center 6575 is at 2.508242 -4.532188 1.473136 ESP Fit Center 6576 is at 2.905657 -4.411633 1.473136 ESP Fit Center 6577 is at 3.271917 -4.215863 1.473136 ESP Fit Center 6578 is at 3.592947 -3.952401 1.473136 ESP Fit Center 6579 is at 3.856409 -3.631371 1.473136 ESP Fit Center 6580 is at 0.680445 -4.086817 1.051741 ESP Fit Center 6581 is at 1.014944 -4.325013 1.051741 ESP Fit Center 6582 is at 1.388477 -4.495599 1.051741 ESP Fit Center 6583 is at 1.787544 -4.592412 1.051741 ESP Fit Center 6584 is at 2.197721 -4.611951 1.051741 ESP Fit Center 6585 is at 2.604183 -4.553511 1.051741 ESP Fit Center 6586 is at 2.992240 -4.419203 1.051741 ESP Fit Center 6587 is at 3.347867 -4.213882 1.051741 ESP Fit Center 6588 is at 1.284230 -4.411633 0.630346 ESP Fit Center 6589 is at 1.681646 -4.532188 0.630346 ESP Fit Center 6590 is at 2.094944 -4.572894 0.630346 ESP Fit Center 6591 is at 2.508242 -4.532188 0.630346 ESP Fit Center 6592 is at 2.905657 -4.411633 0.630346 ESP Fit Center 6593 is at 1.886349 -4.439045 0.225145 ESP Fit Center 6594 is at 2.303539 -4.439045 0.225145 ESP Fit Center 6595 is at 5.848815 -3.752266 -1.262304 ESP Fit Center 6596 is at 5.702292 -3.755814 -1.674277 ESP Fit Center 6597 is at 5.989529 -3.443791 -1.674277 ESP Fit Center 6598 is at 5.509498 -3.709470 -2.065706 ESP Fit Center 6599 is at 5.806019 -3.412949 -2.065706 ESP Fit Center 6600 is at 6.046545 -3.069442 -2.065706 ESP Fit Center 6601 is at 6.223768 -2.689387 -2.065706 ESP Fit Center 6602 is at 2.532690 -3.517402 -2.426951 ESP Fit Center 6603 is at 5.230177 -3.645899 -2.426951 ESP Fit Center 6604 is at 5.544018 -3.373954 -2.426951 ESP Fit Center 6605 is at 2.470469 -3.056943 -2.749120 ESP Fit Center 6606 is at 2.772773 -3.359247 -2.749120 ESP Fit Center 6607 is at 3.134767 -3.586702 -2.749120 ESP Fit Center 6608 is at 3.538298 -3.727904 -2.749120 ESP Fit Center 6609 is at 3.963132 -3.775771 -2.749120 ESP Fit Center 6610 is at 4.387967 -3.727904 -2.749120 ESP Fit Center 6611 is at 4.791498 -3.586702 -2.749120 ESP Fit Center 6612 is at 2.588733 -2.660093 -3.024277 ESP Fit Center 6613 is at 2.840940 -2.988776 -3.024277 ESP Fit Center 6614 is at 3.169622 -3.240983 -3.024277 ESP Fit Center 6615 is at 3.552381 -3.399527 -3.024277 ESP Fit Center 6616 is at 3.963132 -3.453603 -3.024277 ESP Fit Center 6617 is at 3.880119 1.804412 -1.921245 ESP Fit Center 6618 is at 3.513859 2.000182 -1.921245 ESP Fit Center 6619 is at 4.266411 1.533518 -2.342640 ESP Fit Center 6620 is at 3.956069 1.802431 -2.342640 ESP Fit Center 6621 is at 3.600442 2.007752 -2.342640 ESP Fit Center 6622 is at 3.212385 2.142060 -2.342640 ESP Fit Center 6623 is at 2.805923 2.200500 -2.342640 ESP Fit Center 6624 is at 4.464611 1.219920 -2.764035 ESP Fit Center 6625 is at 4.201149 1.540950 -2.764035 ESP Fit Center 6626 is at 3.880119 1.804412 -2.764035 ESP Fit Center 6627 is at 3.513859 2.000182 -2.764035 ESP Fit Center 6628 is at 3.116444 2.120737 -2.764035 ESP Fit Center 6629 is at 2.703146 2.161443 -2.764035 ESP Fit Center 6630 is at 2.289848 2.120737 -2.764035 ESP Fit Center 6631 is at 4.698726 0.042947 -3.169237 ESP Fit Center 6632 is at 4.655117 0.457851 -3.169237 ESP Fit Center 6633 is at 4.526199 0.854622 -3.169237 ESP Fit Center 6634 is at 4.317604 1.215919 -3.169237 ESP Fit Center 6635 is at 4.038449 1.525952 -3.169237 ESP Fit Center 6636 is at 3.700936 1.771170 -3.169237 ESP Fit Center 6637 is at 3.319814 1.940856 -3.169237 ESP Fit Center 6638 is at 2.911741 2.027595 -3.169237 ESP Fit Center 6639 is at 2.494551 2.027595 -3.169237 ESP Fit Center 6640 is at 2.086478 1.940856 -3.169237 ESP Fit Center 6641 is at 4.499120 0.042947 -3.542672 ESP Fit Center 6642 is at 4.450709 0.457127 -3.542672 ESP Fit Center 6643 is at 4.308087 0.848979 -3.542672 ESP Fit Center 6644 is at 4.078942 1.197377 -3.542672 ESP Fit Center 6645 is at 3.775627 1.483540 -3.542672 ESP Fit Center 6646 is at 3.414495 1.692040 -3.542672 ESP Fit Center 6647 is at 3.015013 1.811636 -3.542672 ESP Fit Center 6648 is at 2.598719 1.835883 -3.542672 ESP Fit Center 6649 is at 2.188054 1.763472 -3.542672 ESP Fit Center 6650 is at 4.230496 0.042947 -3.869991 ESP Fit Center 6651 is at 4.173858 0.455021 -3.869991 ESP Fit Center 6652 is at 4.008144 0.836534 -3.869991 ESP Fit Center 6653 is at 3.745644 1.159190 -3.869991 ESP Fit Center 6654 is at 3.405826 1.399059 -3.869991 ESP Fit Center 6655 is at 3.013894 1.538352 -3.869991 ESP Fit Center 6656 is at 2.598916 1.566737 -3.869991 ESP Fit Center 6657 is at 2.191667 1.482110 -3.869991 ESP Fit Center 6658 is at 1.822353 1.290746 -3.869991 ESP Fit Center 6659 is at 3.013894 -1.452458 -3.869991 ESP Fit Center 6660 is at 3.405826 -1.313165 -3.869991 ESP Fit Center 6661 is at 3.745644 -1.073296 -3.869991 ESP Fit Center 6662 is at 4.008144 -0.750640 -3.869991 ESP Fit Center 6663 is at 4.173858 -0.369127 -3.869991 ESP Fit Center 6664 is at 3.903177 0.042947 -4.138615 ESP Fit Center 6665 is at 3.830807 0.453382 -4.138615 ESP Fit Center 6666 is at 3.622423 0.814312 -4.138615 ESP Fit Center 6667 is at 3.303162 1.082205 -4.138615 ESP Fit Center 6668 is at 2.911529 1.224747 -4.138615 ESP Fit Center 6669 is at 2.494762 1.224747 -4.138615 ESP Fit Center 6670 is at 2.103130 1.082205 -4.138615 ESP Fit Center 6671 is at 1.783868 0.814312 -4.138615 ESP Fit Center 6672 is at 1.575485 0.453382 -4.138615 ESP Fit Center 6673 is at 2.494762 -1.138854 -4.138615 ESP Fit Center 6674 is at 2.911529 -1.138854 -4.138615 ESP Fit Center 6675 is at 3.303162 -0.996311 -4.138615 ESP Fit Center 6676 is at 3.622423 -0.728419 -4.138615 ESP Fit Center 6677 is at 3.830807 -0.367488 -4.138615 ESP Fit Center 6678 is at 3.529742 0.042947 -4.338220 ESP Fit Center 6679 is at 3.418999 0.456245 -4.338220 ESP Fit Center 6680 is at 3.116444 0.758800 -4.338220 ESP Fit Center 6681 is at 2.703146 0.869543 -4.338220 ESP Fit Center 6682 is at 2.289848 0.758800 -4.338220 ESP Fit Center 6683 is at 1.987292 0.456245 -4.338220 ESP Fit Center 6684 is at 1.876550 0.042947 -4.338220 ESP Fit Center 6685 is at 1.987292 -0.370351 -4.338220 ESP Fit Center 6686 is at 2.289848 -0.672906 -4.338220 ESP Fit Center 6687 is at 2.703146 -0.783649 -4.338220 ESP Fit Center 6688 is at 3.116444 -0.672906 -4.338220 ESP Fit Center 6689 is at 3.418999 -0.370351 -4.338220 ESP Fit Center 6690 is at 3.124541 0.042947 -4.461137 ESP Fit Center 6691 is at 2.913843 0.407886 -4.461137 ESP Fit Center 6692 is at 2.492448 0.407886 -4.461137 ESP Fit Center 6693 is at 2.281751 0.042947 -4.461137 ESP Fit Center 6694 is at 2.492448 -0.321992 -4.461137 ESP Fit Center 6695 is at 2.913843 -0.321992 -4.461137 ESP Fit Center 6696 is at 2.703146 0.042947 -4.502640 ESP Fit Center 6697 is at 1.737821 2.758182 -2.042034 ESP Fit Center 6698 is at 1.382195 2.963503 -2.042034 ESP Fit Center 6699 is at 1.982901 2.496701 -2.463429 ESP Fit Center 6700 is at 1.661872 2.760163 -2.463429 ESP Fit Center 6701 is at 1.295612 2.955933 -2.463429 ESP Fit Center 6702 is at 0.898197 3.076488 -2.463429 ESP Fit Center 6703 is at 2.099356 2.171670 -2.868630 ESP Fit Center 6704 is at 1.820202 2.481702 -2.868630 ESP Fit Center 6705 is at 1.482688 2.726920 -2.868630 ESP Fit Center 6706 is at 1.101567 2.896607 -2.868630 ESP Fit Center 6707 is at 0.693493 2.983345 -2.868630 ESP Fit Center 6708 is at 0.276304 2.983345 -2.868630 ESP Fit Center 6709 is at -1.510681 0.998698 -2.868630 ESP Fit Center 6710 is at -1.467073 0.583793 -2.868630 ESP Fit Center 6711 is at 1.860695 2.153128 -3.242066 ESP Fit Center 6712 is at 1.557380 2.439290 -3.242066 ESP Fit Center 6713 is at 1.196248 2.647790 -3.242066 ESP Fit Center 6714 is at 0.796766 2.767387 -3.242066 ESP Fit Center 6715 is at 0.380472 2.791633 -3.242066 ESP Fit Center 6716 is at -0.030193 2.719222 -3.242066 ESP Fit Center 6717 is at -0.413089 2.554057 -3.242066 ESP Fit Center 6718 is at -0.747574 2.305042 -3.242066 ESP Fit Center 6719 is at -1.015616 1.985602 -3.242066 ESP Fit Center 6720 is at -1.202765 1.612957 -3.242066 ESP Fit Center 6721 is at -1.298932 1.207198 -3.242066 ESP Fit Center 6722 is at -1.298932 0.790198 -3.242066 ESP Fit Center 6723 is at -1.202765 0.384438 -3.242066 ESP Fit Center 6724 is at 1.789896 1.792284 -3.569385 ESP Fit Center 6725 is at 1.527396 2.114940 -3.569385 ESP Fit Center 6726 is at 1.187579 2.354810 -3.569385 ESP Fit Center 6727 is at 0.795647 2.494102 -3.569385 ESP Fit Center 6728 is at 0.380668 2.522488 -3.569385 ESP Fit Center 6729 is at -0.026580 2.437860 -3.569385 ESP Fit Center 6730 is at -0.395895 2.246497 -3.569385 ESP Fit Center 6731 is at -0.699885 1.962590 -3.569385 ESP Fit Center 6732 is at -0.916005 1.607196 -3.569385 ESP Fit Center 6733 is at -1.028226 1.206672 -3.569385 ESP Fit Center 6734 is at -1.028226 0.790723 -3.569385 ESP Fit Center 6735 is at -0.916005 0.390199 -3.569385 ESP Fit Center 6736 is at 1.612559 1.409133 -3.838008 ESP Fit Center 6737 is at 1.404176 1.770063 -3.838008 ESP Fit Center 6738 is at 1.084914 2.037956 -3.838008 ESP Fit Center 6739 is at 0.693282 2.180498 -3.838008 ESP Fit Center 6740 is at 0.276515 2.180498 -3.838008 ESP Fit Center 6741 is at -0.115117 2.037956 -3.838008 ESP Fit Center 6742 is at -0.434379 1.770063 -3.838008 ESP Fit Center 6743 is at -0.642762 1.409133 -3.838008 ESP Fit Center 6744 is at -0.715133 0.998698 -3.838008 ESP Fit Center 6745 is at -0.642762 0.588263 -3.838008 ESP Fit Center 6746 is at -0.434379 0.227332 -3.838008 ESP Fit Center 6747 is at 1.311495 0.998698 -4.037614 ESP Fit Center 6748 is at 1.200752 1.411996 -4.037614 ESP Fit Center 6749 is at 0.898197 1.714551 -4.037614 ESP Fit Center 6750 is at 0.484898 1.825294 -4.037614 ESP Fit Center 6751 is at 0.071600 1.714551 -4.037614 ESP Fit Center 6752 is at -0.230955 1.411996 -4.037614 ESP Fit Center 6753 is at -0.341698 0.998698 -4.037614 ESP Fit Center 6754 is at -0.230955 0.585399 -4.037614 ESP Fit Center 6755 is at 0.071600 0.282844 -4.037614 ESP Fit Center 6756 is at 1.200752 0.585399 -4.037614 ESP Fit Center 6757 is at 0.906294 0.998698 -4.160530 ESP Fit Center 6758 is at 0.695596 1.363636 -4.160530 ESP Fit Center 6759 is at 0.274201 1.363636 -4.160530 ESP Fit Center 6760 is at 0.063503 0.998698 -4.160530 ESP Fit Center 6761 is at 0.274201 0.633759 -4.160530 ESP Fit Center 6762 is at 0.695596 0.633759 -4.160530 ESP Fit Center 6763 is at 0.484898 0.998698 -4.202034 ESP Fit Center 6764 is at 6.372452 -2.145104 2.359373 ESP Fit Center 6765 is at 6.530996 -1.762345 2.359373 ESP Fit Center 6766 is at 6.188411 -2.844258 2.084216 ESP Fit Center 6767 is at 6.490715 -2.541954 2.084216 ESP Fit Center 6768 is at 6.718171 -2.179960 2.084216 ESP Fit Center 6769 is at 5.513031 -3.474367 1.762048 ESP Fit Center 6770 is at 5.905462 -3.338545 1.762048 ESP Fit Center 6771 is at 4.580303 -3.720763 1.400802 ESP Fit Center 6772 is at 4.998052 -3.757312 1.400802 ESP Fit Center 6773 is at 5.415800 -3.720763 1.400802 ESP Fit Center 6774 is at 4.786000 -3.910676 1.009373 ESP Fit Center 6775 is at 5.210103 -3.910676 1.009373 ESP Fit Center 6776 is at 5.415225 -3.985520 0.597400 ESP Fit Center 6777 is at 6.585072 -1.351594 -2.009319 ESP Fit Center 6778 is at 3.742264 0.135333 2.222745 ESP Fit Center 6779 is at 4.911536 2.504502 -1.187375 ESP Fit Center 6780 is at 7.589919 -0.687471 -1.187375 ESP Fit Center 6781 is at 4.614854 2.199541 -1.548621 ESP Fit Center 6782 is at 4.237111 2.027032 -1.548621 ESP Fit Center 6783 is at 4.138925 1.627996 -1.870789 ESP Fit Center 6784 is at 3.901524 -3.774636 1.244815 ESP Fit Center 6785 is at 3.693140 -4.129840 1.045209 ESP Fit Center 6786 is at 4.109907 -4.129840 1.045209 ESP Fit Center 6787 is at 4.501540 -3.987297 1.045209 ESP Fit Center 6788 is at 3.390045 -4.387202 0.776585 ESP Fit Center 6789 is at 3.797294 -4.471829 0.776585 ESP Fit Center 6790 is at 4.212272 -4.443444 0.776585 ESP Fit Center 6791 is at 4.604204 -4.304151 0.776585 ESP Fit Center 6792 is at 4.944022 -4.064282 0.776585 ESP Fit Center 6793 is at 3.003537 -4.503399 0.449266 ESP Fit Center 6794 is at 3.386433 -4.668564 0.449266 ESP Fit Center 6795 is at 3.797097 -4.740975 0.449266 ESP Fit Center 6796 is at 4.213391 -4.716729 0.449266 ESP Fit Center 6797 is at 4.612873 -4.597132 0.449266 ESP Fit Center 6798 is at 4.974005 -4.388632 0.449266 ESP Fit Center 6799 is at 5.277320 -4.102469 0.449266 ESP Fit Center 6800 is at 2.566220 -4.431044 0.075831 ESP Fit Center 6801 is at 2.903734 -4.676262 0.075831 ESP Fit Center 6802 is at 3.284856 -4.845948 0.075831 ESP Fit Center 6803 is at 3.692929 -4.932687 0.075831 ESP Fit Center 6804 is at 4.110119 -4.932687 0.075831 ESP Fit Center 6805 is at 4.518192 -4.845948 0.075831 ESP Fit Center 6806 is at 4.899314 -4.676262 0.075831 ESP Fit Center 6807 is at 5.236827 -4.431044 0.075831 ESP Fit Center 6808 is at 5.515982 -4.121012 0.075831 ESP Fit Center 6809 is at 2.403521 -4.446042 -0.329370 ESP Fit Center 6810 is at 2.724550 -4.709505 -0.329370 ESP Fit Center 6811 is at 3.090810 -4.905275 -0.329370 ESP Fit Center 6812 is at 3.488226 -5.025829 -0.329370 ESP Fit Center 6813 is at 3.901524 -5.066536 -0.329370 ESP Fit Center 6814 is at 4.314822 -5.025829 -0.329370 ESP Fit Center 6815 is at 4.712237 -4.905275 -0.329370 ESP Fit Center 6816 is at 5.078497 -4.709505 -0.329370 ESP Fit Center 6817 is at 5.399527 -4.446042 -0.329370 ESP Fit Center 6818 is at 5.662989 -4.125013 -0.329370 ESP Fit Center 6819 is at 2.203649 -4.283263 -0.750765 ESP Fit Center 6820 is at 2.487025 -4.580458 -0.750765 ESP Fit Center 6821 is at 2.821524 -4.818654 -0.750765 ESP Fit Center 6822 is at 3.195057 -4.989241 -0.750765 ESP Fit Center 6823 is at 3.594124 -5.086054 -0.750765 ESP Fit Center 6824 is at 4.004301 -5.105593 -0.750765 ESP Fit Center 6825 is at 4.410763 -5.047152 -0.750765 ESP Fit Center 6826 is at 4.798820 -4.912844 -0.750765 ESP Fit Center 6827 is at 5.154447 -4.707523 -0.750765 ESP Fit Center 6828 is at 5.464789 -4.438610 -0.750765 ESP Fit Center 6829 is at 5.718631 -4.115823 -0.750765 ESP Fit Center 6830 is at 2.140059 -4.125013 -1.172160 ESP Fit Center 6831 is at 2.403521 -4.446042 -1.172160 ESP Fit Center 6832 is at 2.724550 -4.709505 -1.172160 ESP Fit Center 6833 is at 3.090810 -4.905275 -1.172160 ESP Fit Center 6834 is at 3.488226 -5.025829 -1.172160 ESP Fit Center 6835 is at 3.901524 -5.066536 -1.172160 ESP Fit Center 6836 is at 4.314822 -5.025829 -1.172160 ESP Fit Center 6837 is at 4.712237 -4.905275 -1.172160 ESP Fit Center 6838 is at 5.078497 -4.709505 -1.172160 ESP Fit Center 6839 is at 5.399527 -4.446042 -1.172160 ESP Fit Center 6840 is at 5.662989 -4.125013 -1.172160 ESP Fit Center 6841 is at 2.287066 -4.121012 -1.577361 ESP Fit Center 6842 is at 2.566220 -4.431044 -1.577361 ESP Fit Center 6843 is at 2.903734 -4.676262 -1.577361 ESP Fit Center 6844 is at 3.284856 -4.845948 -1.577361 ESP Fit Center 6845 is at 3.692929 -4.932687 -1.577361 ESP Fit Center 6846 is at 4.110119 -4.932687 -1.577361 ESP Fit Center 6847 is at 4.518192 -4.845948 -1.577361 ESP Fit Center 6848 is at 4.899314 -4.676262 -1.577361 ESP Fit Center 6849 is at 5.236827 -4.431044 -1.577361 ESP Fit Center 6850 is at 5.515982 -4.121012 -1.577361 ESP Fit Center 6851 is at 2.401009 -3.934943 -1.950797 ESP Fit Center 6852 is at 2.669051 -4.254384 -1.950797 ESP Fit Center 6853 is at 3.003537 -4.503399 -1.950797 ESP Fit Center 6854 is at 3.386433 -4.668564 -1.950797 ESP Fit Center 6855 is at 3.797097 -4.740975 -1.950797 ESP Fit Center 6856 is at 4.213391 -4.716729 -1.950797 ESP Fit Center 6857 is at 4.612873 -4.597132 -1.950797 ESP Fit Center 6858 is at 4.974005 -4.388632 -1.950797 ESP Fit Center 6859 is at 5.277320 -4.102469 -1.950797 ESP Fit Center 6860 is at 2.716741 -3.911932 -2.278116 ESP Fit Center 6861 is at 3.020731 -4.195839 -2.278116 ESP Fit Center 6862 is at 3.390045 -4.387202 -2.278116 ESP Fit Center 6863 is at 3.797294 -4.471829 -2.278116 ESP Fit Center 6864 is at 4.212272 -4.443444 -2.278116 ESP Fit Center 6865 is at 4.604204 -4.304151 -2.278116 ESP Fit Center 6866 is at 4.944022 -4.064282 -2.278116 ESP Fit Center 6867 is at 2.982246 -3.719405 -2.546740 ESP Fit Center 6868 is at 3.301508 -3.987297 -2.546740 ESP Fit Center 6869 is at 3.693140 -4.129840 -2.546740 ESP Fit Center 6870 is at 4.109907 -4.129840 -2.546740 ESP Fit Center 6871 is at 4.501540 -3.987297 -2.546740 ESP Fit Center 6872 is at 6.437837 -1.662437 -2.267143 ESP Fit Center 6873 is at 6.397131 -1.249139 -2.267143 ESP Fit Center 6874 is at 6.080806 -2.839411 -2.267143 ESP Fit Center 6875 is at 6.276576 -2.473150 -2.267143 ESP Fit Center 6876 is at 6.397131 -2.075735 -2.267143 ESP Fit Center 6877 is at 6.314921 -1.662437 -2.672344 ESP Fit Center 6878 is at 6.271312 -1.247533 -2.672344 ESP Fit Center 6879 is at 5.317131 -3.390660 -2.672344 ESP Fit Center 6880 is at 5.654644 -3.145442 -2.672344 ESP Fit Center 6881 is at 5.933799 -2.835409 -2.672344 ESP Fit Center 6882 is at 6.142394 -2.474113 -2.672344 ESP Fit Center 6883 is at 6.271312 -2.077341 -2.672344 ESP Fit Center 6884 is at 6.115315 -1.662437 -3.045780 ESP Fit Center 6885 is at 6.066904 -1.248257 -3.045780 ESP Fit Center 6886 is at 5.924282 -0.856405 -3.045780 ESP Fit Center 6887 is at 5.695137 -0.508007 -3.045780 ESP Fit Center 6888 is at 5.391822 -0.221844 -3.045780 ESP Fit Center 6889 is at 5.030690 -0.013344 -3.045780 ESP Fit Center 6890 is at 4.214914 -3.455373 -3.045780 ESP Fit Center 6891 is at 4.631209 -3.431127 -3.045780 ESP Fit Center 6892 is at 5.030690 -3.311530 -3.045780 ESP Fit Center 6893 is at 5.391822 -3.103030 -3.045780 ESP Fit Center 6894 is at 5.695137 -2.816867 -3.045780 ESP Fit Center 6895 is at 5.924282 -2.468469 -3.045780 ESP Fit Center 6896 is at 6.066904 -2.076617 -3.045780 ESP Fit Center 6897 is at 5.846691 -1.662437 -3.373099 ESP Fit Center 6898 is at 5.790053 -1.250363 -3.373099 ESP Fit Center 6899 is at 5.624339 -0.868850 -3.373099 ESP Fit Center 6900 is at 5.361839 -0.546194 -3.373099 ESP Fit Center 6901 is at 5.022021 -0.306325 -3.373099 ESP Fit Center 6902 is at 4.630090 -0.167032 -3.373099 ESP Fit Center 6903 is at 2.918438 -2.270935 -3.373099 ESP Fit Center 6904 is at 3.134558 -2.626330 -3.373099 ESP Fit Center 6905 is at 3.438548 -2.910237 -3.373099 ESP Fit Center 6906 is at 3.807862 -3.101600 -3.373099 ESP Fit Center 6907 is at 4.215111 -3.186227 -3.373099 ESP Fit Center 6908 is at 4.630090 -3.157842 -3.373099 ESP Fit Center 6909 is at 5.022021 -3.018549 -3.373099 ESP Fit Center 6910 is at 5.361839 -2.778680 -3.373099 ESP Fit Center 6911 is at 5.624339 -2.456024 -3.373099 ESP Fit Center 6912 is at 5.790053 -2.074511 -3.373099 ESP Fit Center 6913 is at 5.519373 -1.662437 -3.641722 ESP Fit Center 6914 is at 5.447002 -1.252002 -3.641722 ESP Fit Center 6915 is at 5.238618 -0.891072 -3.641722 ESP Fit Center 6916 is at 4.919357 -0.623179 -3.641722 ESP Fit Center 6917 is at 4.527724 -0.480637 -3.641722 ESP Fit Center 6918 is at 3.119309 -1.662437 -3.641722 ESP Fit Center 6919 is at 3.191680 -2.072872 -3.641722 ESP Fit Center 6920 is at 3.400063 -2.433803 -3.641722 ESP Fit Center 6921 is at 3.719325 -2.701695 -3.641722 ESP Fit Center 6922 is at 4.110958 -2.844238 -3.641722 ESP Fit Center 6923 is at 4.527724 -2.844238 -3.641722 ESP Fit Center 6924 is at 4.919357 -2.701695 -3.641722 ESP Fit Center 6925 is at 5.238618 -2.433803 -3.641722 ESP Fit Center 6926 is at 5.447002 -2.072872 -3.641722 ESP Fit Center 6927 is at 5.145937 -1.662437 -3.841328 ESP Fit Center 6928 is at 5.035194 -1.249139 -3.841328 ESP Fit Center 6929 is at 4.732639 -0.946584 -3.841328 ESP Fit Center 6930 is at 4.319341 -0.835841 -3.841328 ESP Fit Center 6931 is at 3.906043 -0.946584 -3.841328 ESP Fit Center 6932 is at 3.603488 -1.249139 -3.841328 ESP Fit Center 6933 is at 3.492745 -1.662437 -3.841328 ESP Fit Center 6934 is at 3.603488 -2.075735 -3.841328 ESP Fit Center 6935 is at 3.906043 -2.378290 -3.841328 ESP Fit Center 6936 is at 4.319341 -2.489033 -3.841328 ESP Fit Center 6937 is at 4.732639 -2.378290 -3.841328 ESP Fit Center 6938 is at 5.035194 -2.075735 -3.841328 ESP Fit Center 6939 is at 4.740736 -1.662437 -3.964244 ESP Fit Center 6940 is at 4.530038 -1.297498 -3.964244 ESP Fit Center 6941 is at 4.108643 -1.297498 -3.964244 ESP Fit Center 6942 is at 3.897946 -1.662437 -3.964244 ESP Fit Center 6943 is at 4.108643 -2.027376 -3.964244 ESP Fit Center 6944 is at 4.530038 -2.027376 -3.964244 ESP Fit Center 6945 is at 4.319341 -1.662437 -4.005748 ESP Fit Center 6946 is at 4.641577 -1.551953 3.342944 ESP Fit Center 6947 is at 5.062972 -1.551953 3.301440 ESP Fit Center 6948 is at 4.852275 -1.187015 3.301440 ESP Fit Center 6949 is at 4.430880 -1.187015 3.301440 ESP Fit Center 6950 is at 4.220182 -1.551953 3.301440 ESP Fit Center 6951 is at 4.430880 -1.916892 3.301440 ESP Fit Center 6952 is at 4.852275 -1.916892 3.301440 ESP Fit Center 6953 is at 5.468173 -1.551953 3.178524 ESP Fit Center 6954 is at 4.228279 -0.836100 3.178524 ESP Fit Center 6955 is at 3.925724 -1.138655 3.178524 ESP Fit Center 6956 is at 3.814981 -1.551953 3.178524 ESP Fit Center 6957 is at 3.925724 -1.965252 3.178524 ESP Fit Center 6958 is at 4.228279 -2.267807 3.178524 ESP Fit Center 6959 is at 4.641577 -2.378550 3.178524 ESP Fit Center 6960 is at 5.054875 -2.267807 3.178524 ESP Fit Center 6961 is at 5.357430 -1.965252 3.178524 ESP Fit Center 6962 is at 5.841609 -1.551953 2.978918 ESP Fit Center 6963 is at 4.041561 -0.512696 2.978918 ESP Fit Center 6964 is at 3.722299 -0.780588 2.978918 ESP Fit Center 6965 is at 3.513916 -1.141518 2.978918 ESP Fit Center 6966 is at 3.441545 -1.551953 2.978918 ESP Fit Center 6967 is at 3.513916 -1.962388 2.978918 ESP Fit Center 6968 is at 3.722299 -2.323319 2.978918 ESP Fit Center 6969 is at 4.041561 -2.591211 2.978918 ESP Fit Center 6970 is at 4.433194 -2.733754 2.978918 ESP Fit Center 6971 is at 4.849960 -2.733754 2.978918 ESP Fit Center 6972 is at 5.241593 -2.591211 2.978918 ESP Fit Center 6973 is at 5.560855 -2.323319 2.978918 ESP Fit Center 6974 is at 5.769238 -1.962388 2.978918 ESP Fit Center 6975 is at 3.760784 -0.304154 2.710295 ESP Fit Center 6976 is at 3.456794 -0.588061 2.710295 ESP Fit Center 6977 is at 3.240674 -0.943455 2.710295 ESP Fit Center 6978 is at 3.128452 -1.343979 2.710295 ESP Fit Center 6979 is at 3.760784 -2.799753 2.710295 ESP Fit Center 6980 is at 4.130099 -2.991116 2.710295 ESP Fit Center 6981 is at 4.537347 -3.075744 2.710295 ESP Fit Center 6982 is at 4.952326 -3.047358 2.710295 ESP Fit Center 6983 is at 5.344258 -2.908066 2.710295 ESP Fit Center 6984 is at 5.684075 -2.668196 2.710295 ESP Fit Center 6985 is at 5.946575 -2.345540 2.710295 ESP Fit Center 6986 is at 6.112289 -1.964028 2.710295 ESP Fit Center 6987 is at 3.743590 0.003406 2.382976 ESP Fit Center 6988 is at 3.409105 -0.245609 2.382976 ESP Fit Center 6989 is at 3.141062 -0.565049 2.382976 ESP Fit Center 6990 is at 3.743590 -3.107313 2.382976 ESP Fit Center 6991 is at 4.126486 -3.272478 2.382976 ESP Fit Center 6992 is at 4.537150 -3.344889 2.382976 ESP Fit Center 6993 is at 4.953445 -3.320643 2.382976 ESP Fit Center 6994 is at 5.352926 -3.201046 2.382976 ESP Fit Center 6995 is at 5.714059 -2.992546 2.382976 ESP Fit Center 6996 is at 6.017373 -2.706384 2.382976 ESP Fit Center 6997 is at 6.246518 -2.357985 2.382976 ESP Fit Center 6998 is at 3.306274 -0.068949 2.009540 ESP Fit Center 6999 is at 4.024909 -3.449863 2.009540 ESP Fit Center 7000 is at 4.432982 -3.536601 2.009540 ESP Fit Center 7001 is at 4.850172 -3.536601 2.009540 ESP Fit Center 7002 is at 5.258245 -3.449863 2.009540 ESP Fit Center 7003 is at 5.639367 -3.280176 2.009540 ESP Fit Center 7004 is at 4.228279 -3.629743 1.604339 ESP Fit Center 7005 is at 4.641577 -3.670450 1.604339 ESP Fit Center 7006 is at 7.110155 -1.932223 1.848050 ESP Fit Center 7007 is at 6.510139 -2.971480 1.848050 ESP Fit Center 7008 is at 6.829401 -2.703588 1.848050 ESP Fit Center 7009 is at 7.037784 -2.342658 1.848050 ESP Fit Center 7010 is at 6.220872 -3.427627 1.579426 ESP Fit Center 7011 is at 6.612804 -3.288335 1.579426 ESP Fit Center 7012 is at 6.952621 -3.048465 1.579426 ESP Fit Center 7013 is at 7.215121 -2.725809 1.579426 ESP Fit Center 7014 is at 7.380835 -2.344297 1.579426 ESP Fit Center 7015 is at 5.805696 -3.725158 1.252107 ESP Fit Center 7016 is at 6.221991 -3.700912 1.252107 ESP Fit Center 7017 is at 6.621472 -3.581315 1.252107 ESP Fit Center 7018 is at 6.982605 -3.372815 1.252107 ESP Fit Center 7019 is at 7.285919 -3.086653 1.252107 ESP Fit Center 7020 is at 7.515064 -2.738254 1.252107 ESP Fit Center 7021 is at 7.657687 -2.346403 1.252107 ESP Fit Center 7022 is at 5.701528 -3.916870 0.878672 ESP Fit Center 7023 is at 6.118718 -3.916870 0.878672 ESP Fit Center 7024 is at 6.526791 -3.830132 0.878672 ESP Fit Center 7025 is at 6.907913 -3.660445 0.878672 ESP Fit Center 7026 is at 7.245427 -3.415227 0.878672 ESP Fit Center 7027 is at 7.524581 -3.105195 0.878672 ESP Fit Center 7028 is at 7.733176 -2.743898 0.878672 ESP Fit Center 7029 is at 7.862095 -2.347127 0.878672 ESP Fit Center 7030 is at 5.496825 -4.010012 0.473471 ESP Fit Center 7031 is at 5.910123 -4.050719 0.473471 ESP Fit Center 7032 is at 6.323421 -4.010012 0.473471 ESP Fit Center 7033 is at 6.720836 -3.889458 0.473471 ESP Fit Center 7034 is at 7.087096 -3.693688 0.473471 ESP Fit Center 7035 is at 7.408126 -3.430226 0.473471 ESP Fit Center 7036 is at 7.671588 -3.109196 0.473471 ESP Fit Center 7037 is at 7.867358 -2.742936 0.473471 ESP Fit Center 7038 is at 7.987913 -2.345521 0.473471 ESP Fit Center 7039 is at 8.070123 -1.932223 0.052075 ESP Fit Center 7040 is at 5.602723 -4.070237 0.052075 ESP Fit Center 7041 is at 6.012900 -4.089776 0.052075 ESP Fit Center 7042 is at 6.419362 -4.031336 0.052075 ESP Fit Center 7043 is at 6.807419 -3.897028 0.052075 ESP Fit Center 7044 is at 7.163046 -3.691707 0.052075 ESP Fit Center 7045 is at 7.473389 -3.422793 0.052075 ESP Fit Center 7046 is at 7.727231 -3.100007 0.052075 ESP Fit Center 7047 is at 7.915398 -2.735013 0.052075 ESP Fit Center 7048 is at 8.031089 -2.341005 0.052075 ESP Fit Center 7049 is at 8.028619 -1.932223 -0.369320 ESP Fit Center 7050 is at 5.910123 -4.050719 -0.369320 ESP Fit Center 7051 is at 6.323421 -4.010012 -0.369320 ESP Fit Center 7052 is at 6.720836 -3.889458 -0.369320 ESP Fit Center 7053 is at 7.087096 -3.693688 -0.369320 ESP Fit Center 7054 is at 7.408126 -3.430226 -0.369320 ESP Fit Center 7055 is at 7.671588 -3.109196 -0.369320 ESP Fit Center 7056 is at 7.867358 -2.742936 -0.369320 ESP Fit Center 7057 is at 7.987913 -2.345521 -0.369320 ESP Fit Center 7058 is at 7.905703 -1.932223 -0.774521 ESP Fit Center 7059 is at 7.862095 -1.517318 -0.774521 ESP Fit Center 7060 is at 6.118718 -3.916870 -0.774521 ESP Fit Center 7061 is at 6.526791 -3.830132 -0.774521 ESP Fit Center 7062 is at 6.907913 -3.660445 -0.774521 ESP Fit Center 7063 is at 7.245427 -3.415227 -0.774521 ESP Fit Center 7064 is at 7.524581 -3.105195 -0.774521 ESP Fit Center 7065 is at 7.733176 -2.743898 -0.774521 ESP Fit Center 7066 is at 7.862095 -2.347127 -0.774521 ESP Fit Center 7067 is at 7.706097 -1.932223 -1.147956 ESP Fit Center 7068 is at 7.657687 -1.518042 -1.147956 ESP Fit Center 7069 is at 7.515064 -1.126191 -1.147956 ESP Fit Center 7070 is at 6.221991 -3.700912 -1.147956 ESP Fit Center 7071 is at 6.621472 -3.581315 -1.147956 ESP Fit Center 7072 is at 6.982605 -3.372815 -1.147956 ESP Fit Center 7073 is at 7.285919 -3.086653 -1.147956 ESP Fit Center 7074 is at 7.515064 -2.738254 -1.147956 ESP Fit Center 7075 is at 7.657687 -2.346403 -1.147956 ESP Fit Center 7076 is at 7.437474 -1.932223 -1.475275 ESP Fit Center 7077 is at 7.380835 -1.520148 -1.475275 ESP Fit Center 7078 is at 7.215121 -1.138636 -1.475275 ESP Fit Center 7079 is at 6.220872 -3.427627 -1.475275 ESP Fit Center 7080 is at 6.612804 -3.288335 -1.475275 ESP Fit Center 7081 is at 6.952621 -3.048465 -1.475275 ESP Fit Center 7082 is at 7.215121 -2.725809 -1.475275 ESP Fit Center 7083 is at 7.380835 -2.344297 -1.475275 ESP Fit Center 7084 is at 7.110155 -1.932223 -1.743899 ESP Fit Center 7085 is at 7.037784 -1.521788 -1.743899 ESP Fit Center 7086 is at 6.510139 -2.971480 -1.743899 ESP Fit Center 7087 is at 6.829401 -2.703588 -1.743899 ESP Fit Center 7088 is at 7.037784 -2.342658 -1.743899 ESP Fit Center 7089 is at 6.736719 -1.932223 -1.943504 ESP Fit Center 7090 is at 6.323421 -2.648076 -1.943504 ESP Fit Center 7091 is at 6.625976 -2.345521 -1.943504 ESP Fit Center 7092 is at 7.972460 0.605008 3.225220 ESP Fit Center 7093 is at 7.759839 -0.188502 3.225220 ESP Fit Center 7094 is at 7.918383 0.194257 3.225220 ESP Fit Center 7095 is at 8.294628 0.605008 2.950063 ESP Fit Center 7096 is at 7.575799 -0.887656 2.950063 ESP Fit Center 7097 is at 7.878103 -0.585352 2.950063 ESP Fit Center 7098 is at 8.105559 -0.223358 2.950063 ESP Fit Center 7099 is at 8.246760 0.180173 2.950063 ESP Fit Center 7100 is at 8.569785 0.605008 2.627894 ESP Fit Center 7101 is at 6.900418 -1.517765 2.627894 ESP Fit Center 7102 is at 7.292850 -1.381943 2.627894 ESP Fit Center 7103 is at 4.124804 1.427812 2.266649 ESP Fit Center 7104 is at 6.803188 -1.764162 2.266649 ESP Fit Center 7105 is at 7.972460 0.605008 -1.143472 ESP Fit Center 7106 is at 4.013048 1.441554 2.162486 ESP Fit Center 7107 is at 3.710493 1.138999 2.162486 ESP Fit Center 7108 is at 3.599750 0.725701 2.162486 ESP Fit Center 7109 is at 3.826330 1.764959 1.962880 ESP Fit Center 7110 is at 3.507068 1.497066 1.962880 ESP Fit Center 7111 is at 3.298685 1.136136 1.962880 ESP Fit Center 7112 is at 3.226314 0.725701 1.962880 ESP Fit Center 7113 is at 3.298685 0.315266 1.962880 ESP Fit Center 7114 is at 3.545553 1.973500 1.694257 ESP Fit Center 7115 is at 3.241563 1.689593 1.694257 ESP Fit Center 7116 is at 3.025443 1.334199 1.694257 ESP Fit Center 7117 is at 2.913221 0.933675 1.694257 ESP Fit Center 7118 is at 2.913221 0.517726 1.694257 ESP Fit Center 7119 is at 3.528359 2.281060 1.366938 ESP Fit Center 7120 is at 3.193874 2.032045 1.366938 ESP Fit Center 7121 is at 2.925831 1.712605 1.366938 ESP Fit Center 7122 is at 2.738682 1.339960 1.366938 ESP Fit Center 7123 is at 2.642515 0.934201 1.366938 ESP Fit Center 7124 is at 3.428556 2.453923 0.993502 ESP Fit Center 7125 is at 3.091043 2.208705 0.993502 ESP Fit Center 7126 is at 2.811888 1.898673 0.993502 ESP Fit Center 7127 is at 2.603293 1.537376 0.993502 ESP Fit Center 7128 is at 2.474374 1.140605 0.993502 ESP Fit Center 7129 is at 3.615633 2.682936 0.588301 ESP Fit Center 7130 is at 3.249373 2.487166 0.588301 ESP Fit Center 7131 is at 2.928343 2.223704 0.588301 ESP Fit Center 7132 is at 2.664881 1.902674 0.588301 ESP Fit Center 7133 is at 2.469111 1.536414 0.588301 ESP Fit Center 7134 is at 3.719879 2.766902 0.166906 ESP Fit Center 7135 is at 3.346346 2.596316 0.166906 ESP Fit Center 7136 is at 3.011847 2.358120 0.166906 ESP Fit Center 7137 is at 2.728471 2.060924 0.166906 ESP Fit Center 7138 is at 4.013048 2.803491 -0.254489 ESP Fit Center 7139 is at 3.615633 2.682936 -0.254489 ESP Fit Center 7140 is at 3.249373 2.487166 -0.254489 ESP Fit Center 7141 is at 2.928343 2.223704 -0.254489 ESP Fit Center 7142 is at 4.217751 2.710348 -0.659690 ESP Fit Center 7143 is at 3.809678 2.623610 -0.659690 ESP Fit Center 7144 is at 3.428556 2.453923 -0.659690 ESP Fit Center 7145 is at 3.091043 2.208705 -0.659690 ESP Fit Center 7146 is at 4.321919 2.518637 -1.033126 ESP Fit Center 7147 is at 3.911255 2.446225 -1.033126 ESP Fit Center 7148 is at 3.528359 2.281060 -1.033126 ESP Fit Center 7149 is at 4.322116 2.249491 -1.360445 ESP Fit Center 7150 is at 3.914867 2.164863 -1.360445 ESP Fit Center 7151 is at 3.545553 1.973500 -1.360445 ESP Fit Center 7152 is at 3.826330 1.764959 -1.629068 ESP Fit Center 7153 is at 7.801992 0.332197 -1.394230 ESP Fit Center 7154 is at 7.444961 -0.844777 -1.394230 ESP Fit Center 7155 is at 7.640731 -0.478517 -1.394230 ESP Fit Center 7156 is at 7.761286 -0.081101 -1.394230 ESP Fit Center 7157 is at 7.679076 0.332197 -1.799431 ESP Fit Center 7158 is at 7.635467 0.747101 -1.799431 ESP Fit Center 7159 is at 5.474901 2.316845 -1.799431 ESP Fit Center 7160 is at 5.066828 2.230106 -1.799431 ESP Fit Center 7161 is at 4.685706 2.060420 -1.799431 ESP Fit Center 7162 is at 7.018799 -1.150808 -1.799431 ESP Fit Center 7163 is at 7.297954 -0.840775 -1.799431 ESP Fit Center 7164 is at 7.506549 -0.479479 -1.799431 ESP Fit Center 7165 is at 7.635467 -0.082707 -1.799431 ESP Fit Center 7166 is at 7.479470 0.332197 -2.172866 ESP Fit Center 7167 is at 7.431059 0.746377 -2.172866 ESP Fit Center 7168 is at 7.288437 1.138229 -2.172866 ESP Fit Center 7169 is at 7.059292 1.486627 -2.172866 ESP Fit Center 7170 is at 6.755977 1.772790 -2.172866 ESP Fit Center 7171 is at 6.394845 1.981289 -2.172866 ESP Fit Center 7172 is at 5.995363 2.100886 -2.172866 ESP Fit Center 7173 is at 5.579069 2.125133 -2.172866 ESP Fit Center 7174 is at 5.168405 2.052721 -2.172866 ESP Fit Center 7175 is at 4.785509 1.887556 -2.172866 ESP Fit Center 7176 is at 4.451023 1.638541 -2.172866 ESP Fit Center 7177 is at 6.755977 -1.108396 -2.172866 ESP Fit Center 7178 is at 7.059292 -0.822233 -2.172866 ESP Fit Center 7179 is at 7.288437 -0.473835 -2.172866 ESP Fit Center 7180 is at 7.431059 -0.081983 -2.172866 ESP Fit Center 7181 is at 7.210846 0.332197 -2.500185 ESP Fit Center 7182 is at 7.154208 0.744271 -2.500185 ESP Fit Center 7183 is at 6.988494 1.125784 -2.500185 ESP Fit Center 7184 is at 6.725994 1.448440 -2.500185 ESP Fit Center 7185 is at 6.386176 1.688309 -2.500185 ESP Fit Center 7186 is at 5.994244 1.827602 -2.500185 ESP Fit Center 7187 is at 5.579266 1.855987 -2.500185 ESP Fit Center 7188 is at 5.172017 1.771360 -2.500185 ESP Fit Center 7189 is at 4.802703 1.579996 -2.500185 ESP Fit Center 7190 is at 4.498713 1.296089 -2.500185 ESP Fit Center 7191 is at 6.386176 -1.023915 -2.500185 ESP Fit Center 7192 is at 6.725994 -0.784046 -2.500185 ESP Fit Center 7193 is at 6.988494 -0.461390 -2.500185 ESP Fit Center 7194 is at 7.154208 -0.079877 -2.500185 ESP Fit Center 7195 is at 6.883527 0.332197 -2.768809 ESP Fit Center 7196 is at 6.811157 0.742632 -2.768809 ESP Fit Center 7197 is at 6.602773 1.103562 -2.768809 ESP Fit Center 7198 is at 6.283512 1.371455 -2.768809 ESP Fit Center 7199 is at 5.891879 1.513997 -2.768809 ESP Fit Center 7200 is at 5.475112 1.513997 -2.768809 ESP Fit Center 7201 is at 5.083480 1.371455 -2.768809 ESP Fit Center 7202 is at 4.764218 1.103562 -2.768809 ESP Fit Center 7203 is at 6.283512 -0.707061 -2.768809 ESP Fit Center 7204 is at 6.602773 -0.439169 -2.768809 ESP Fit Center 7205 is at 6.811157 -0.078238 -2.768809 ESP Fit Center 7206 is at 6.510092 0.332197 -2.968415 ESP Fit Center 7207 is at 6.399349 0.745495 -2.968415 ESP Fit Center 7208 is at 6.096794 1.048050 -2.968415 ESP Fit Center 7209 is at 5.683496 1.158793 -2.968415 ESP Fit Center 7210 is at 5.270198 1.048050 -2.968415 ESP Fit Center 7211 is at 4.967642 0.745495 -2.968415 ESP Fit Center 7212 is at 4.856900 0.332197 -2.968415 ESP Fit Center 7213 is at 6.096794 -0.383656 -2.968415 ESP Fit Center 7214 is at 6.399349 -0.081101 -2.968415 ESP Fit Center 7215 is at 6.104891 0.332197 -3.091331 ESP Fit Center 7216 is at 5.894193 0.697136 -3.091331 ESP Fit Center 7217 is at 5.472798 0.697136 -3.091331 ESP Fit Center 7218 is at 5.262101 0.332197 -3.091331 ESP Fit Center 7219 is at 5.472798 -0.032742 -3.091331 ESP Fit Center 7220 is at 5.894193 -0.032742 -3.091331 ESP Fit Center 7221 is at 5.683496 0.332197 -3.132835 ESP Fit Center 7222 is at 8.492271 0.016907 2.710141 ESP Fit Center 7223 is at 7.892256 -1.022351 2.710141 ESP Fit Center 7224 is at 8.211517 -0.754459 2.710141 ESP Fit Center 7225 is at 8.419901 -0.393528 2.710141 ESP Fit Center 7226 is at 8.819590 0.016907 2.441517 ESP Fit Center 7227 is at 8.762952 0.428981 2.441517 ESP Fit Center 7228 is at 7.602988 -1.478498 2.441517 ESP Fit Center 7229 is at 7.994920 -1.339205 2.441517 ESP Fit Center 7230 is at 8.334738 -1.099336 2.441517 ESP Fit Center 7231 is at 8.597238 -0.776680 2.441517 ESP Fit Center 7232 is at 8.762952 -0.395167 2.441517 ESP Fit Center 7233 is at 9.088214 0.016907 2.114198 ESP Fit Center 7234 is at 9.039803 0.431087 2.114198 ESP Fit Center 7235 is at 8.897181 0.822939 2.114198 ESP Fit Center 7236 is at 7.187813 -1.776029 2.114198 ESP Fit Center 7237 is at 7.604107 -1.751783 2.114198 ESP Fit Center 7238 is at 8.003589 -1.632186 2.114198 ESP Fit Center 7239 is at 8.364721 -1.423686 2.114198 ESP Fit Center 7240 is at 8.668036 -1.137523 2.114198 ESP Fit Center 7241 is at 8.897181 -0.789125 2.114198 ESP Fit Center 7242 is at 9.039803 -0.397273 2.114198 ESP Fit Center 7243 is at 9.287819 0.016907 1.740763 ESP Fit Center 7244 is at 9.244211 0.431811 1.740763 ESP Fit Center 7245 is at 9.115293 0.828582 1.740763 ESP Fit Center 7246 is at 7.500835 -1.967741 1.740763 ESP Fit Center 7247 is at 7.908908 -1.881002 1.740763 ESP Fit Center 7248 is at 8.290030 -1.711316 1.740763 ESP Fit Center 7249 is at 8.627543 -1.466098 1.740763 ESP Fit Center 7250 is at 8.906698 -1.156066 1.740763 ESP Fit Center 7251 is at 9.115293 -0.794769 1.740763 ESP Fit Center 7252 is at 9.244211 -0.397998 1.740763 ESP Fit Center 7253 is at 9.410736 0.016907 1.335562 ESP Fit Center 7254 is at 9.370030 0.430205 1.335562 ESP Fit Center 7255 is at 9.249475 0.827620 1.335562 ESP Fit Center 7256 is at 7.705538 -2.060883 1.335562 ESP Fit Center 7257 is at 8.102953 -1.940328 1.335562 ESP Fit Center 7258 is at 8.469213 -1.744558 1.335562 ESP Fit Center 7259 is at 8.790243 -1.481096 1.335562 ESP Fit Center 7260 is at 9.053705 -1.160067 1.335562 ESP Fit Center 7261 is at 9.249475 -0.793807 1.335562 ESP Fit Center 7262 is at 9.370030 -0.396391 1.335562 ESP Fit Center 7263 is at 9.452240 0.016907 0.914167 ESP Fit Center 7264 is at 9.413206 0.425689 0.914167 ESP Fit Center 7265 is at 9.297514 0.819698 0.914167 ESP Fit Center 7266 is at 8.189536 -1.947898 0.914167 ESP Fit Center 7267 is at 8.545163 -1.742577 0.914167 ESP Fit Center 7268 is at 8.855505 -1.473664 0.914167 ESP Fit Center 7269 is at 9.109347 -1.150877 0.914167 ESP Fit Center 7270 is at 9.297514 -0.785884 0.914167 ESP Fit Center 7271 is at 9.413206 -0.391876 0.914167 ESP Fit Center 7272 is at 9.410736 0.016907 0.492772 ESP Fit Center 7273 is at 9.370030 0.430205 0.492772 ESP Fit Center 7274 is at 9.249475 0.827620 0.492772 ESP Fit Center 7275 is at 8.102953 -1.940328 0.492772 ESP Fit Center 7276 is at 8.469213 -1.744558 0.492772 ESP Fit Center 7277 is at 8.790243 -1.481096 0.492772 ESP Fit Center 7278 is at 9.053705 -1.160067 0.492772 ESP Fit Center 7279 is at 9.249475 -0.793807 0.492772 ESP Fit Center 7280 is at 9.370030 -0.396391 0.492772 ESP Fit Center 7281 is at 9.287819 0.016907 0.087571 ESP Fit Center 7282 is at 9.244211 0.431811 0.087571 ESP Fit Center 7283 is at 9.115293 0.828582 0.087571 ESP Fit Center 7284 is at 8.290030 -1.711316 0.087571 ESP Fit Center 7285 is at 8.627543 -1.466098 0.087571 ESP Fit Center 7286 is at 8.906698 -1.156066 0.087571 ESP Fit Center 7287 is at 9.115293 -0.794769 0.087571 ESP Fit Center 7288 is at 9.244211 -0.397998 0.087571 ESP Fit Center 7289 is at 9.088214 0.016907 -0.285865 ESP Fit Center 7290 is at 9.039803 0.431087 -0.285865 ESP Fit Center 7291 is at 8.897181 0.822939 -0.285865 ESP Fit Center 7292 is at 8.364721 -1.423686 -0.285865 ESP Fit Center 7293 is at 8.668036 -1.137523 -0.285865 ESP Fit Center 7294 is at 8.897181 -0.789125 -0.285865 ESP Fit Center 7295 is at 9.039803 -0.397273 -0.285865 ESP Fit Center 7296 is at 8.819590 0.016907 -0.613184 ESP Fit Center 7297 is at 8.762952 0.428981 -0.613184 ESP Fit Center 7298 is at 8.597238 0.810494 -0.613184 ESP Fit Center 7299 is at 7.994920 -1.339205 -0.613184 ESP Fit Center 7300 is at 8.334738 -1.099336 -0.613184 ESP Fit Center 7301 is at 8.597238 -0.776680 -0.613184 ESP Fit Center 7302 is at 8.762952 -0.395167 -0.613184 ESP Fit Center 7303 is at 8.492271 0.016907 -0.881808 ESP Fit Center 7304 is at 8.419901 0.427342 -0.881808 ESP Fit Center 7305 is at 7.892256 -1.022351 -0.881808 ESP Fit Center 7306 is at 8.211517 -0.754459 -0.881808 ESP Fit Center 7307 is at 8.419901 -0.393528 -0.881808 ESP Fit Center 7308 is at 8.118836 0.016907 -1.081413 ESP Fit Center 7309 is at 7.705538 -0.698947 -1.081413 ESP Fit Center 7310 is at 8.008093 -0.396391 -1.081413 ESP Fit Center 7311 is at 6.033520 0.408869 4.211525 ESP Fit Center 7312 is at 6.454916 0.408869 4.170021 ESP Fit Center 7313 is at 6.244218 0.773807 4.170021 ESP Fit Center 7314 is at 5.822823 0.773807 4.170021 ESP Fit Center 7315 is at 5.612125 0.408869 4.170021 ESP Fit Center 7316 is at 5.822823 0.043930 4.170021 ESP Fit Center 7317 is at 6.244218 0.043930 4.170021 ESP Fit Center 7318 is at 6.860117 0.408869 4.047105 ESP Fit Center 7319 is at 6.749374 0.822167 4.047105 ESP Fit Center 7320 is at 6.446819 1.124722 4.047105 ESP Fit Center 7321 is at 6.033520 1.235465 4.047105 ESP Fit Center 7322 is at 5.620222 1.124722 4.047105 ESP Fit Center 7323 is at 5.317667 0.822167 4.047105 ESP Fit Center 7324 is at 5.206924 0.408869 4.047105 ESP Fit Center 7325 is at 5.317667 -0.004430 4.047105 ESP Fit Center 7326 is at 5.620222 -0.306985 4.047105 ESP Fit Center 7327 is at 6.033520 -0.417728 4.047105 ESP Fit Center 7328 is at 6.446819 -0.306985 4.047105 ESP Fit Center 7329 is at 6.749374 -0.004430 4.047105 ESP Fit Center 7330 is at 7.233552 0.408869 3.847500 ESP Fit Center 7331 is at 7.161181 0.819304 3.847500 ESP Fit Center 7332 is at 6.952798 1.180234 3.847500 ESP Fit Center 7333 is at 6.633536 1.448126 3.847500 ESP Fit Center 7334 is at 6.241904 1.590669 3.847500 ESP Fit Center 7335 is at 5.825137 1.590669 3.847500 ESP Fit Center 7336 is at 5.433505 1.448126 3.847500 ESP Fit Center 7337 is at 5.114243 1.180234 3.847500 ESP Fit Center 7338 is at 4.905859 0.819304 3.847500 ESP Fit Center 7339 is at 4.833489 0.408869 3.847500 ESP Fit Center 7340 is at 4.905859 -0.001566 3.847500 ESP Fit Center 7341 is at 5.114243 -0.362497 3.847500 ESP Fit Center 7342 is at 5.433505 -0.630389 3.847500 ESP Fit Center 7343 is at 5.825137 -0.772932 3.847500 ESP Fit Center 7344 is at 6.241904 -0.772932 3.847500 ESP Fit Center 7345 is at 6.633536 -0.630389 3.847500 ESP Fit Center 7346 is at 6.952798 -0.362497 3.847500 ESP Fit Center 7347 is at 7.161181 -0.001566 3.847500 ESP Fit Center 7348 is at 7.560871 0.408869 3.578876 ESP Fit Center 7349 is at 7.504233 0.820943 3.578876 ESP Fit Center 7350 is at 7.338518 1.202455 3.578876 ESP Fit Center 7351 is at 7.076018 1.525111 3.578876 ESP Fit Center 7352 is at 6.344269 1.904273 3.578876 ESP Fit Center 7353 is at 5.929290 1.932659 3.578876 ESP Fit Center 7354 is at 5.522042 1.848031 3.578876 ESP Fit Center 7355 is at 5.152727 1.656668 3.578876 ESP Fit Center 7356 is at 4.848737 1.372761 3.578876 ESP Fit Center 7357 is at 4.632617 1.017367 3.578876 ESP Fit Center 7358 is at 4.520396 0.616843 3.578876 ESP Fit Center 7359 is at 4.520396 0.200894 3.578876 ESP Fit Center 7360 is at 4.632617 -0.199630 3.578876 ESP Fit Center 7361 is at 4.848737 -0.555024 3.578876 ESP Fit Center 7362 is at 5.152727 -0.838931 3.578876 ESP Fit Center 7363 is at 5.522042 -1.030294 3.578876 ESP Fit Center 7364 is at 5.929290 -1.114922 3.578876 ESP Fit Center 7365 is at 6.344269 -1.086536 3.578876 ESP Fit Center 7366 is at 6.736201 -0.947244 3.578876 ESP Fit Center 7367 is at 7.076018 -0.707374 3.578876 ESP Fit Center 7368 is at 7.338518 -0.384718 3.578876 ESP Fit Center 7369 is at 7.504233 -0.003206 3.578876 ESP Fit Center 7370 is at 5.135533 1.964228 3.251557 ESP Fit Center 7371 is at 4.801048 1.715213 3.251557 ESP Fit Center 7372 is at 4.533006 1.395773 3.251557 ESP Fit Center 7373 is at 4.345857 1.023128 3.251557 ESP Fit Center 7374 is at 4.249690 0.617368 3.251557 ESP Fit Center 7375 is at 4.249690 0.200369 3.251557 ESP Fit Center 7376 is at 4.345857 -0.205391 3.251557 ESP Fit Center 7377 is at 4.533006 -0.578036 3.251557 ESP Fit Center 7378 is at 4.801048 -0.897476 3.251557 ESP Fit Center 7379 is at 5.135533 -1.146491 3.251557 ESP Fit Center 7380 is at 5.518429 -1.311656 3.251557 ESP Fit Center 7381 is at 5.929094 -1.384067 3.251557 ESP Fit Center 7382 is at 6.345388 -1.359821 3.251557 ESP Fit Center 7383 is at 6.744870 -1.240224 3.251557 ESP Fit Center 7384 is at 7.106002 -1.031724 3.251557 ESP Fit Center 7385 is at 7.409317 -0.745562 3.251557 ESP Fit Center 7386 is at 7.638462 -0.397163 3.251557 ESP Fit Center 7387 is at 4.698217 1.891873 2.878121 ESP Fit Center 7388 is at 4.419062 1.581841 2.878121 ESP Fit Center 7389 is at 4.210468 1.220544 2.878121 ESP Fit Center 7390 is at 4.081549 0.823773 2.878121 ESP Fit Center 7391 is at 4.037941 0.408869 2.878121 ESP Fit Center 7392 is at 4.081549 -0.006036 2.878121 ESP Fit Center 7393 is at 6.242115 -1.575779 2.878121 ESP Fit Center 7394 is at 6.650188 -1.489041 2.878121 ESP Fit Center 7395 is at 7.031310 -1.319354 2.878121 ESP Fit Center 7396 is at 4.272055 1.585842 2.472920 ESP Fit Center 7397 is at 4.076285 1.219582 2.472920 ESP Fit Center 7398 is at 3.955731 0.822167 2.472920 ESP Fit Center 7399 is at 3.915024 0.408869 2.472920 ESP Fit Center 7400 is at 6.509396 2.455349 3.568165 ESP Fit Center 7401 is at 6.298210 2.089564 3.568165 ESP Fit Center 7402 is at 6.303410 2.812128 3.469259 ESP Fit Center 7403 is at 5.998018 2.506736 3.469259 ESP Fit Center 7404 is at 5.886237 2.089564 3.469259 ESP Fit Center 7405 is at 6.107696 3.151115 3.307124 ESP Fit Center 7406 is at 5.781585 2.877476 3.307124 ESP Fit Center 7407 is at 5.568732 2.508803 3.307124 ESP Fit Center 7408 is at 5.494808 2.089564 3.307124 ESP Fit Center 7409 is at 6.309832 3.622507 3.085753 ESP Fit Center 7410 is at 5.927073 3.463963 3.085753 ESP Fit Center 7411 is at 5.133562 2.089564 3.085753 ESP Fit Center 7412 is at 6.295748 3.950884 2.810595 ESP Fit Center 7413 is at 6.824518 4.271435 2.488427 ESP Fit Center 7414 is at 6.409718 4.251676 2.488427 ESP Fit Center 7415 is at 6.720583 4.495281 2.127181 ESP Fit Center 7416 is at 7.350953 4.578840 1.735753 ESP Fit Center 7417 is at 6.932634 4.648646 1.735753 ESP Fit Center 7418 is at 6.508531 4.648646 1.735753 ESP Fit Center 7419 is at 7.544656 4.625802 1.323780 ESP Fit Center 7420 is at 7.137756 4.723490 1.323780 ESP Fit Center 7421 is at 6.720583 4.756322 1.323780 ESP Fit Center 7422 is at 8.357391 4.236854 0.901407 ESP Fit Center 7423 is at 8.010426 4.461547 0.901407 ESP Fit Center 7424 is at 7.633228 4.630642 0.901407 ESP Fit Center 7425 is at 7.234639 4.740176 0.901407 ESP Fit Center 7426 is at 6.824000 4.787582 0.901407 ESP Fit Center 7427 is at 9.294753 1.274918 0.901407 ESP Fit Center 7428 is at 9.388940 1.677410 0.901407 ESP Fit Center 7429 is at 9.387341 2.089564 0.479034 ESP Fit Center 7430 is at 9.354509 2.506736 0.479034 ESP Fit Center 7431 is at 9.256821 2.913637 0.479034 ESP Fit Center 7432 is at 9.096682 3.300247 0.479034 ESP Fit Center 7433 is at 8.878036 3.657045 0.479034 ESP Fit Center 7434 is at 8.606266 3.975247 0.479034 ESP Fit Center 7435 is at 8.288064 4.247016 0.479034 ESP Fit Center 7436 is at 7.931266 4.465663 0.479034 ESP Fit Center 7437 is at 7.544656 4.625802 0.479034 ESP Fit Center 7438 is at 7.137756 4.723490 0.479034 ESP Fit Center 7439 is at 6.720583 4.756322 0.479034 ESP Fit Center 7440 is at 9.256821 1.265490 0.479034 ESP Fit Center 7441 is at 9.354509 1.672391 0.479034 ESP Fit Center 7442 is at 9.288435 2.089564 0.067061 ESP Fit Center 7443 is at 8.125065 4.239284 0.067061 ESP Fit Center 7444 is at 7.752077 4.441134 0.067061 ESP Fit Center 7445 is at 7.350953 4.578840 0.067061 ESP Fit Center 7446 is at 6.932634 4.648646 0.067061 ESP Fit Center 7447 is at 6.508531 4.648646 0.067061 ESP Fit Center 7448 is at 9.149302 1.255783 0.067061 ESP Fit Center 7449 is at 9.253413 1.666909 0.067061 ESP Fit Center 7450 is at 6.720583 4.495281 -0.324368 ESP Fit Center 7451 is at 6.302834 4.458733 -0.324368 ESP Fit Center 7452 is at 6.006153 4.153772 -0.685613 ESP Fit Center 7453 is at 5.628410 3.981263 -0.685613 ESP Fit Center 7454 is at 5.530223 3.582227 -1.007781 ESP Fit Center 7455 is at 5.227919 3.279923 -1.007781 ESP Fit Center 7456 is at 5.000463 2.917929 -1.007781 ESP Fit Center 7457 is at 5.346183 2.883074 -1.282939 ESP Fit Center 7458 is at 5.187639 2.500315 -1.282939 ESP Fit Center 7459 is at 5.629154 3.070921 3.174889 ESP Fit Center 7460 is at 5.839852 3.532579 3.051973 ESP Fit Center 7461 is at 5.426554 3.421836 3.051973 ESP Fit Center 7462 is at 5.123999 3.119281 3.051973 ESP Fit Center 7463 is at 5.013256 2.705982 3.051973 ESP Fit Center 7464 is at 6.048235 3.887783 2.852367 ESP Fit Center 7465 is at 5.631469 3.887783 2.852367 ESP Fit Center 7466 is at 5.239836 3.745240 2.852367 ESP Fit Center 7467 is at 4.920574 3.477348 2.852367 ESP Fit Center 7468 is at 4.712191 3.116417 2.852367 ESP Fit Center 7469 is at 4.639820 2.705982 2.852367 ESP Fit Center 7470 is at 4.712191 2.295547 2.852367 ESP Fit Center 7471 is at 6.150601 4.201387 2.583744 ESP Fit Center 7472 is at 5.735622 4.229772 2.583744 ESP Fit Center 7473 is at 5.328373 4.145145 2.583744 ESP Fit Center 7474 is at 4.959059 3.953782 2.583744 ESP Fit Center 7475 is at 4.655069 3.669875 2.583744 ESP Fit Center 7476 is at 4.438949 3.314481 2.583744 ESP Fit Center 7477 is at 4.326727 2.913957 2.583744 ESP Fit Center 7478 is at 4.326727 2.498008 2.583744 ESP Fit Center 7479 is at 4.438949 2.097484 2.583744 ESP Fit Center 7480 is at 6.151720 4.474672 2.256425 ESP Fit Center 7481 is at 5.735425 4.498918 2.256425 ESP Fit Center 7482 is at 5.324761 4.426507 2.256425 ESP Fit Center 7483 is at 4.941865 4.261342 2.256425 ESP Fit Center 7484 is at 4.607380 4.012327 2.256425 ESP Fit Center 7485 is at 4.339337 3.692886 2.256425 ESP Fit Center 7486 is at 4.152188 3.320242 2.256425 ESP Fit Center 7487 is at 4.056021 2.914482 2.256425 ESP Fit Center 7488 is at 4.056021 2.497483 2.256425 ESP Fit Center 7489 is at 4.152188 2.091723 2.256425 ESP Fit Center 7490 is at 6.456520 4.603892 1.882989 ESP Fit Center 7491 is at 6.048447 4.690630 1.882989 ESP Fit Center 7492 is at 5.631257 4.690630 1.882989 ESP Fit Center 7493 is at 5.223184 4.603892 1.882989 ESP Fit Center 7494 is at 4.842062 4.434205 1.882989 ESP Fit Center 7495 is at 4.504548 4.188987 1.882989 ESP Fit Center 7496 is at 4.225394 3.878955 1.882989 ESP Fit Center 7497 is at 4.016799 3.517658 1.882989 ESP Fit Center 7498 is at 3.887880 3.120887 1.882989 ESP Fit Center 7499 is at 3.844272 2.705982 1.882989 ESP Fit Center 7500 is at 3.887880 2.291078 1.882989 ESP Fit Center 7501 is at 6.253150 4.783772 1.477788 ESP Fit Center 7502 is at 5.839852 4.824479 1.477788 ESP Fit Center 7503 is at 5.426554 4.783772 1.477788 ESP Fit Center 7504 is at 5.029139 4.663218 1.477788 ESP Fit Center 7505 is at 4.662879 4.467448 1.477788 ESP Fit Center 7506 is at 4.341849 4.203985 1.477788 ESP Fit Center 7507 is at 4.078387 3.882956 1.477788 ESP Fit Center 7508 is at 3.882617 3.516696 1.477788 ESP Fit Center 7509 is at 3.762062 3.119281 1.477788 ESP Fit Center 7510 is at 3.721356 2.705982 1.477788 ESP Fit Center 7511 is at 6.349091 4.805095 1.056393 ESP Fit Center 7512 is at 5.942629 4.863536 1.056393 ESP Fit Center 7513 is at 5.532452 4.843997 1.056393 ESP Fit Center 7514 is at 5.133385 4.747184 1.056393 ESP Fit Center 7515 is at 4.759852 4.576597 1.056393 ESP Fit Center 7516 is at 4.425353 4.338401 1.056393 ESP Fit Center 7517 is at 4.141977 4.041206 1.056393 ESP Fit Center 7518 is at 3.919967 3.695752 1.056393 ESP Fit Center 7519 is at 3.767347 3.314525 1.056393 ESP Fit Center 7520 is at 3.689633 2.911303 1.056393 ESP Fit Center 7521 is at 6.253150 4.783772 0.634998 ESP Fit Center 7522 is at 5.839852 4.824479 0.634998 ESP Fit Center 7523 is at 5.426554 4.783772 0.634998 ESP Fit Center 7524 is at 5.029139 4.663218 0.634998 ESP Fit Center 7525 is at 4.662879 4.467448 0.634998 ESP Fit Center 7526 is at 4.341849 4.203985 0.634998 ESP Fit Center 7527 is at 4.078387 3.882956 0.634998 ESP Fit Center 7528 is at 3.882617 3.516696 0.634998 ESP Fit Center 7529 is at 3.762062 3.119281 0.634998 ESP Fit Center 7530 is at 6.048447 4.690630 0.229797 ESP Fit Center 7531 is at 5.631257 4.690630 0.229797 ESP Fit Center 7532 is at 5.223184 4.603892 0.229797 ESP Fit Center 7533 is at 4.842062 4.434205 0.229797 ESP Fit Center 7534 is at 4.504548 4.188987 0.229797 ESP Fit Center 7535 is at 4.225394 3.878955 0.229797 ESP Fit Center 7536 is at 4.016799 3.517658 0.229797 ESP Fit Center 7537 is at 3.887880 3.120887 0.229797 ESP Fit Center 7538 is at 5.735425 4.498918 -0.143639 ESP Fit Center 7539 is at 5.324761 4.426507 -0.143639 ESP Fit Center 7540 is at 4.941865 4.261342 -0.143639 ESP Fit Center 7541 is at 4.607380 4.012327 -0.143639 ESP Fit Center 7542 is at 4.339337 3.692886 -0.143639 ESP Fit Center 7543 is at 4.152188 3.320242 -0.143639 ESP Fit Center 7544 is at 4.056021 2.914482 -0.143639 ESP Fit Center 7545 is at 5.735622 4.229772 -0.470958 ESP Fit Center 7546 is at 5.328373 4.145145 -0.470958 ESP Fit Center 7547 is at 4.959059 3.953782 -0.470958 ESP Fit Center 7548 is at 4.655069 3.669875 -0.470958 ESP Fit Center 7549 is at 4.438949 3.314481 -0.470958 ESP Fit Center 7550 is at 4.326727 2.913957 -0.470958 ESP Fit Center 7551 is at 5.239836 3.745240 -0.739582 ESP Fit Center 7552 is at 4.920574 3.477348 -0.739582 ESP Fit Center 7553 is at 4.712191 3.116417 -0.739582 ESP Fit Center 7554 is at 4.639820 2.705982 -0.739582 ESP Fit Center 7555 is at 9.268721 2.312425 -0.088582 ESP Fit Center 7556 is at 9.229687 2.721207 -0.088582 ESP Fit Center 7557 is at 9.113995 3.115215 -0.088582 ESP Fit Center 7558 is at 8.925828 3.480209 -0.088582 ESP Fit Center 7559 is at 8.671986 3.802995 -0.088582 ESP Fit Center 7560 is at 8.361644 4.071909 -0.088582 ESP Fit Center 7561 is at 8.006017 4.277230 -0.088582 ESP Fit Center 7562 is at 9.229687 1.903642 -0.088582 ESP Fit Center 7563 is at 9.227217 2.312425 -0.509978 ESP Fit Center 7564 is at 9.186511 2.725723 -0.509978 ESP Fit Center 7565 is at 9.065956 3.123138 -0.509978 ESP Fit Center 7566 is at 8.870186 3.489398 -0.509978 ESP Fit Center 7567 is at 8.606724 3.810428 -0.509978 ESP Fit Center 7568 is at 8.285694 4.073890 -0.509978 ESP Fit Center 7569 is at 7.919434 4.269660 -0.509978 ESP Fit Center 7570 is at 7.522019 4.390214 -0.509978 ESP Fit Center 7571 is at 7.108721 4.430921 -0.509978 ESP Fit Center 7572 is at 8.870186 1.135451 -0.509978 ESP Fit Center 7573 is at 9.065956 1.501711 -0.509978 ESP Fit Center 7574 is at 9.186511 1.899126 -0.509978 ESP Fit Center 7575 is at 9.104301 2.312425 -0.915179 ESP Fit Center 7576 is at 9.060692 2.727329 -0.915179 ESP Fit Center 7577 is at 8.931774 3.124100 -0.915179 ESP Fit Center 7578 is at 8.723179 3.485397 -0.915179 ESP Fit Center 7579 is at 8.444024 3.795429 -0.915179 ESP Fit Center 7580 is at 8.106511 4.040647 -0.915179 ESP Fit Center 7581 is at 7.725389 4.210334 -0.915179 ESP Fit Center 7582 is at 7.317316 4.297072 -0.915179 ESP Fit Center 7583 is at 6.900126 4.297072 -0.915179 ESP Fit Center 7584 is at 6.492053 4.210334 -0.915179 ESP Fit Center 7585 is at 6.110931 4.040647 -0.915179 ESP Fit Center 7586 is at 8.444024 0.829420 -0.915179 ESP Fit Center 7587 is at 8.723179 1.139452 -0.915179 ESP Fit Center 7588 is at 8.931774 1.500749 -0.915179 ESP Fit Center 7589 is at 9.060692 1.897520 -0.915179 ESP Fit Center 7590 is at 8.904695 2.312425 -1.288614 ESP Fit Center 7591 is at 8.856284 2.726605 -1.288614 ESP Fit Center 7592 is at 8.713662 3.118456 -1.288614 ESP Fit Center 7593 is at 8.484517 3.466855 -1.288614 ESP Fit Center 7594 is at 8.181202 3.753017 -1.288614 ESP Fit Center 7595 is at 7.820070 3.961517 -1.288614 ESP Fit Center 7596 is at 7.420588 4.081114 -1.288614 ESP Fit Center 7597 is at 7.004294 4.105360 -1.288614 ESP Fit Center 7598 is at 6.593629 4.032949 -1.288614 ESP Fit Center 7599 is at 6.210734 3.867784 -1.288614 ESP Fit Center 7600 is at 5.876248 3.618769 -1.288614 ESP Fit Center 7601 is at 5.608206 3.299329 -1.288614 ESP Fit Center 7602 is at 7.820070 0.663332 -1.288614 ESP Fit Center 7603 is at 8.181202 0.871832 -1.288614 ESP Fit Center 7604 is at 8.484517 1.157995 -1.288614 ESP Fit Center 7605 is at 8.713662 1.506393 -1.288614 ESP Fit Center 7606 is at 8.856284 1.898244 -1.288614 ESP Fit Center 7607 is at 8.636071 2.312425 -1.615933 ESP Fit Center 7608 is at 8.579433 2.724499 -1.615933 ESP Fit Center 7609 is at 8.413719 3.106011 -1.615933 ESP Fit Center 7610 is at 8.151219 3.428667 -1.615933 ESP Fit Center 7611 is at 7.811401 3.668537 -1.615933 ESP Fit Center 7612 is at 7.419469 3.807829 -1.615933 ESP Fit Center 7613 is at 7.004491 3.836215 -1.615933 ESP Fit Center 7614 is at 6.597242 3.751587 -1.615933 ESP Fit Center 7615 is at 6.227928 3.560224 -1.615933 ESP Fit Center 7616 is at 5.923938 3.276317 -1.615933 ESP Fit Center 7617 is at 5.707817 2.920923 -1.615933 ESP Fit Center 7618 is at 5.595596 2.520399 -1.615933 ESP Fit Center 7619 is at 7.811401 0.956313 -1.615933 ESP Fit Center 7620 is at 8.151219 1.196182 -1.615933 ESP Fit Center 7621 is at 8.413719 1.518838 -1.615933 ESP Fit Center 7622 is at 8.579433 1.900350 -1.615933 ESP Fit Center 7623 is at 8.308752 2.312425 -1.884557 ESP Fit Center 7624 is at 8.236382 2.722860 -1.884557 ESP Fit Center 7625 is at 8.027998 3.083790 -1.884557 ESP Fit Center 7626 is at 7.708737 3.351683 -1.884557 ESP Fit Center 7627 is at 7.317104 3.494225 -1.884557 ESP Fit Center 7628 is at 6.900337 3.494225 -1.884557 ESP Fit Center 7629 is at 6.508705 3.351683 -1.884557 ESP Fit Center 7630 is at 6.189443 3.083790 -1.884557 ESP Fit Center 7631 is at 5.981060 2.722860 -1.884557 ESP Fit Center 7632 is at 5.908689 2.312425 -1.884557 ESP Fit Center 7633 is at 7.708737 1.273167 -1.884557 ESP Fit Center 7634 is at 8.027998 1.541059 -1.884557 ESP Fit Center 7635 is at 8.236382 1.901990 -1.884557 ESP Fit Center 7636 is at 7.935317 2.312425 -2.084162 ESP Fit Center 7637 is at 7.824574 2.725723 -2.084162 ESP Fit Center 7638 is at 7.522019 3.028278 -2.084162 ESP Fit Center 7639 is at 7.108721 3.139021 -2.084162 ESP Fit Center 7640 is at 6.695423 3.028278 -2.084162 ESP Fit Center 7641 is at 6.392867 2.725723 -2.084162 ESP Fit Center 7642 is at 6.282125 2.312425 -2.084162 ESP Fit Center 7643 is at 7.522019 1.596571 -2.084162 ESP Fit Center 7644 is at 7.824574 1.899126 -2.084162 ESP Fit Center 7645 is at 7.530116 2.312425 -2.207079 ESP Fit Center 7646 is at 7.319418 2.677363 -2.207079 ESP Fit Center 7647 is at 6.898023 2.677363 -2.207079 ESP Fit Center 7648 is at 6.687326 2.312425 -2.207079 ESP Fit Center 7649 is at 6.898023 1.947486 -2.207079 ESP Fit Center 7650 is at 7.319418 1.947486 -2.207079 ESP Fit Center 7651 is at 7.108721 2.312425 -2.248582 ESP Fit Center 7652 is at 7.469617 2.393814 3.786143 ESP Fit Center 7653 is at 7.891012 2.393814 3.744639 ESP Fit Center 7654 is at 7.680314 2.758753 3.744639 ESP Fit Center 7655 is at 7.258919 2.758753 3.744639 ESP Fit Center 7656 is at 7.048222 2.393814 3.744639 ESP Fit Center 7657 is at 7.258919 2.028876 3.744639 ESP Fit Center 7658 is at 7.680314 2.028876 3.744639 ESP Fit Center 7659 is at 8.296213 2.393814 3.621722 ESP Fit Center 7660 is at 8.185470 2.807113 3.621722 ESP Fit Center 7661 is at 7.882915 3.109668 3.621722 ESP Fit Center 7662 is at 7.469617 3.220411 3.621722 ESP Fit Center 7663 is at 7.056319 3.109668 3.621722 ESP Fit Center 7664 is at 6.753764 2.807113 3.621722 ESP Fit Center 7665 is at 6.643021 2.393814 3.621722 ESP Fit Center 7666 is at 6.753764 1.980516 3.621722 ESP Fit Center 7667 is at 7.056319 1.677961 3.621722 ESP Fit Center 7668 is at 7.469617 1.567218 3.621722 ESP Fit Center 7669 is at 7.882915 1.677961 3.621722 ESP Fit Center 7670 is at 8.185470 1.980516 3.621722 ESP Fit Center 7671 is at 8.669649 2.393814 3.422117 ESP Fit Center 7672 is at 8.597278 2.804249 3.422117 ESP Fit Center 7673 is at 8.388894 3.165180 3.422117 ESP Fit Center 7674 is at 8.069633 3.433072 3.422117 ESP Fit Center 7675 is at 7.678000 3.575615 3.422117 ESP Fit Center 7676 is at 7.261234 3.575615 3.422117 ESP Fit Center 7677 is at 6.869601 3.433072 3.422117 ESP Fit Center 7678 is at 6.550339 3.165180 3.422117 ESP Fit Center 7679 is at 7.678000 1.212014 3.422117 ESP Fit Center 7680 is at 8.069633 1.354557 3.422117 ESP Fit Center 7681 is at 8.388894 1.622449 3.422117 ESP Fit Center 7682 is at 8.597278 1.983379 3.422117 ESP Fit Center 7683 is at 8.996967 2.393814 3.153493 ESP Fit Center 7684 is at 8.940329 2.805889 3.153493 ESP Fit Center 7685 is at 8.774615 3.187401 3.153493 ESP Fit Center 7686 is at 8.512115 3.510057 3.153493 ESP Fit Center 7687 is at 8.172297 3.749927 3.153493 ESP Fit Center 7688 is at 7.780366 3.889219 3.153493 ESP Fit Center 7689 is at 7.365387 3.917604 3.153493 ESP Fit Center 7690 is at 6.958138 3.832977 3.153493 ESP Fit Center 7691 is at 6.588824 3.641614 3.153493 ESP Fit Center 7692 is at 8.172297 1.037702 3.153493 ESP Fit Center 7693 is at 8.512115 1.277572 3.153493 ESP Fit Center 7694 is at 8.774615 1.600228 3.153493 ESP Fit Center 7695 is at 8.940329 1.981740 3.153493 ESP Fit Center 7696 is at 9.265591 2.393814 2.826174 ESP Fit Center 7697 is at 9.217180 2.807995 2.826174 ESP Fit Center 7698 is at 9.074558 3.199846 2.826174 ESP Fit Center 7699 is at 8.845413 3.548245 2.826174 ESP Fit Center 7700 is at 8.542098 3.834407 2.826174 ESP Fit Center 7701 is at 8.180966 4.042907 2.826174 ESP Fit Center 7702 is at 7.781485 4.162504 2.826174 ESP Fit Center 7703 is at 7.365190 4.186750 2.826174 ESP Fit Center 7704 is at 6.954526 4.114339 2.826174 ESP Fit Center 7705 is at 8.542098 0.953222 2.826174 ESP Fit Center 7706 is at 8.845413 1.239384 2.826174 ESP Fit Center 7707 is at 9.074558 1.587783 2.826174 ESP Fit Center 7708 is at 9.217180 1.979634 2.826174 ESP Fit Center 7709 is at 9.465197 2.393814 2.452739 ESP Fit Center 7710 is at 9.421588 2.808719 2.452739 ESP Fit Center 7711 is at 9.292670 3.205490 2.452739 ESP Fit Center 7712 is at 9.084075 3.566787 2.452739 ESP Fit Center 7713 is at 8.804920 3.876819 2.452739 ESP Fit Center 7714 is at 8.467407 4.122037 2.452739 ESP Fit Center 7715 is at 8.086285 4.291724 2.452739 ESP Fit Center 7716 is at 7.678212 4.378462 2.452739 ESP Fit Center 7717 is at 7.261022 4.378462 2.452739 ESP Fit Center 7718 is at 8.804920 0.910810 2.452739 ESP Fit Center 7719 is at 9.084075 1.220842 2.452739 ESP Fit Center 7720 is at 9.292670 1.582139 2.452739 ESP Fit Center 7721 is at 9.421588 1.978910 2.452739 ESP Fit Center 7722 is at 9.588113 2.393814 2.047538 ESP Fit Center 7723 is at 9.547407 2.807113 2.047538 ESP Fit Center 7724 is at 9.426852 3.204528 2.047538 ESP Fit Center 7725 is at 9.231082 3.570788 2.047538 ESP Fit Center 7726 is at 8.967620 3.891817 2.047538 ESP Fit Center 7727 is at 8.646590 4.155280 2.047538 ESP Fit Center 7728 is at 8.280330 4.351050 2.047538 ESP Fit Center 7729 is at 7.882915 4.471604 2.047538 ESP Fit Center 7730 is at 7.469617 4.512311 2.047538 ESP Fit Center 7731 is at 8.967620 0.895811 2.047538 ESP Fit Center 7732 is at 9.231082 1.216841 2.047538 ESP Fit Center 7733 is at 9.426852 1.583101 2.047538 ESP Fit Center 7734 is at 9.547407 1.980516 2.047538 ESP Fit Center 7735 is at 9.629617 2.393814 1.626143 ESP Fit Center 7736 is at 9.590583 2.802597 1.626143 ESP Fit Center 7737 is at 9.474892 3.196605 1.626143 ESP Fit Center 7738 is at 9.286724 3.561599 1.626143 ESP Fit Center 7739 is at 9.032882 3.884385 1.626143 ESP Fit Center 7740 is at 8.722540 4.153298 1.626143 ESP Fit Center 7741 is at 8.366913 4.358620 1.626143 ESP Fit Center 7742 is at 7.978856 4.492927 1.626143 ESP Fit Center 7743 is at 7.572394 4.551368 1.626143 ESP Fit Center 7744 is at 9.286724 1.226030 1.626143 ESP Fit Center 7745 is at 9.474892 1.591024 1.626143 ESP Fit Center 7746 is at 9.590583 1.985032 1.626143 ESP Fit Center 7747 is at 9.588113 2.393814 1.204747 ESP Fit Center 7748 is at 9.547407 2.807113 1.204747 ESP Fit Center 7749 is at 9.426852 3.204528 1.204747 ESP Fit Center 7750 is at 9.231082 3.570788 1.204747 ESP Fit Center 7751 is at 8.967620 3.891817 1.204747 ESP Fit Center 7752 is at 8.646590 4.155280 1.204747 ESP Fit Center 7753 is at 8.280330 4.351050 1.204747 ESP Fit Center 7754 is at 9.426852 1.583101 1.204747 ESP Fit Center 7755 is at 9.547407 1.980516 1.204747 ESP Fit Center 7756 is at 9.465197 2.393814 0.799546 ESP Fit Center 7757 is at 9.421588 2.808719 0.799546 ESP Fit Center 7758 is at 9.292670 3.205490 0.799546 ESP Fit Center 7759 is at 9.084075 3.566787 0.799546 ESP Fit Center 7760 is at 8.804920 3.876819 0.799546 ESP Fit Center 7761 is at 9.421588 1.978910 0.799546 ESP Fit Center 7762 is at -4.789319 -0.157856 3.427411 ESP Fit Center 7763 is at -4.191718 0.067830 3.290293 ESP Fit Center 7764 is at -4.581775 0.209799 3.290293 ESP Fit Center 7765 is at -7.429580 -1.977061 1.543298 ESP Fit Center 7766 is at -7.788586 -1.324896 0.971312 ESP Fit Center 7767 is at -7.977368 -1.116060 0.621466 ESP Fit Center 7768 is at -7.811600 -0.149270 0.245909 ESP Fit Center 7769 is at -7.986767 -0.522934 0.245909 ESP Fit Center 7770 is at -8.105661 -0.918120 0.245909 ESP Fit Center 7771 is at -7.722793 0.193726 -0.148361 ESP Fit Center 7772 is at -7.939946 -0.153791 -0.148361 ESP Fit Center 7773 is at -8.106620 -0.528148 -0.148361 ESP Fit Center 7774 is at -8.219572 -0.922059 -0.148361 ESP Fit Center 7775 is at -5.243997 -4.468211 -0.148361 ESP Fit Center 7776 is at -4.836458 -4.425377 -0.148361 ESP Fit Center 7777 is at -4.438845 -4.326241 -0.148361 ESP Fit Center 7778 is at -7.989174 -0.127616 -0.554002 ESP Fit Center 7779 is at -8.159012 -0.509079 -0.554002 ESP Fit Center 7780 is at -8.274108 -0.910467 -0.554002 ESP Fit Center 7781 is at -5.242052 -4.523931 -0.554002 ESP Fit Center 7782 is at -4.826776 -4.480284 -0.554002 ESP Fit Center 7783 is at -4.421616 -4.379266 -0.554002 ESP Fit Center 7784 is at -8.159012 -0.509079 -0.963457 ESP Fit Center 7785 is at -8.274108 -0.910467 -0.963457 ESP Fit Center 7786 is at -5.242052 -4.523931 -0.963457 ESP Fit Center 7787 is at -4.826776 -4.480284 -0.963457 ESP Fit Center 7788 is at -8.219572 -0.922059 -1.369097 ESP Fit Center 7789 is at -8.276603 -1.327855 -1.369097 ESP Fit Center 7790 is at -5.653533 -4.453910 -1.369097 ESP Fit Center 7791 is at -5.243997 -4.468211 -1.369097 ESP Fit Center 7792 is at -8.165748 -1.326406 -1.763368 ESP Fit Center 7793 is at -8.165748 -1.739090 -1.763368 ESP Fit Center 7794 is at -5.859954 -4.312509 -1.763368 ESP Fit Center 7795 is at -5.449746 -4.357645 -1.763368 ESP Fit Center 7796 is at -8.010162 -1.532748 -2.138924 ESP Fit Center 7797 is at -7.977368 -1.949435 -2.138924 ESP Fit Center 7798 is at -6.169621 -4.066035 -2.138924 ESP Fit Center 7799 is at -5.763194 -4.163609 -2.138924 ESP Fit Center 7800 is at -5.346506 -4.196403 -2.138924 ESP Fit Center 7801 is at -7.788586 -1.324896 -2.488770 ESP Fit Center 7802 is at -7.788586 -1.740599 -2.488770 ESP Fit Center 7803 is at -7.718332 -2.150323 -2.488770 ESP Fit Center 7804 is at -7.579845 -2.542281 -2.488770 ESP Fit Center 7805 is at -6.803898 -3.503272 -2.488770 ESP Fit Center 7806 is at -6.449915 -3.721228 -2.488770 ESP Fit Center 7807 is at -6.064188 -3.876226 -2.488770 ESP Fit Center 7808 is at -5.657815 -3.963806 -2.488770 ESP Fit Center 7809 is at -3.502051 -0.347389 -2.806389 ESP Fit Center 7810 is at -3.759713 -0.019744 -2.806389 ESP Fit Center 7811 is at -4.074727 0.253216 -2.806389 ESP Fit Center 7812 is at -7.529086 -1.741159 -2.806389 ESP Fit Center 7813 is at -7.450202 -2.150449 -2.806389 ESP Fit Center 7814 is at -7.295285 -2.537413 -2.806389 ESP Fit Center 7815 is at -7.069934 -2.888066 -2.806389 ESP Fit Center 7816 is at -6.782293 -3.189735 -2.806389 ESP Fit Center 7817 is at -6.442760 -3.431515 -2.806389 ESP Fit Center 7818 is at -6.063605 -3.604670 -2.806389 ESP Fit Center 7819 is at -5.658532 -3.702939 -2.806389 ESP Fit Center 7820 is at -3.628226 -0.737787 -3.085863 ESP Fit Center 7821 is at -3.839292 -0.386993 -3.085863 ESP Fit Center 7822 is at -4.120833 -0.089774 -3.085863 ESP Fit Center 7823 is at -7.228672 -1.737446 -3.085863 ESP Fit Center 7824 is at -7.140664 -2.137270 -3.085863 ESP Fit Center 7825 is at -6.968763 -2.508827 -3.085863 ESP Fit Center 7826 is at -6.721007 -2.834744 -3.085863 ESP Fit Center 7827 is at -6.408981 -3.099781 -3.085863 ESP Fit Center 7828 is at -6.047275 -3.291546 -3.085863 ESP Fit Center 7829 is at -5.652802 -3.401071 -3.085863 ESP Fit Center 7830 is at -4.014678 -0.722845 -3.321988 ESP Fit Center 7831 is at -4.282575 -0.393556 -3.321988 ESP Fit Center 7832 is at -6.890740 -1.744998 -3.321988 ESP Fit Center 7833 is at -6.776211 -2.153756 -3.321988 ESP Fit Center 7834 is at -6.555647 -2.516457 -3.321988 ESP Fit Center 7835 is at -6.245408 -2.806201 -3.321988 ESP Fit Center 7836 is at -5.868500 -3.001499 -3.321988 ESP Fit Center 7837 is at -5.452879 -3.087866 -3.321988 ESP Fit Center 7838 is at -4.223382 -1.123964 -3.510363 ESP Fit Center 7839 is at -4.430927 -0.764486 -3.510363 ESP Fit Center 7840 is at -6.541709 -1.532748 -3.510363 ESP Fit Center 7841 is at -6.469630 -1.941531 -3.510363 ESP Fit Center 7842 is at -6.262085 -2.301010 -3.510363 ESP Fit Center 7843 is at -5.944108 -2.567824 -3.510363 ESP Fit Center 7844 is at -5.554051 -2.709793 -3.510363 ESP Fit Center 7845 is at -4.645553 -1.128053 -3.647481 ESP Fit Center 7846 is at -4.941811 -0.831795 -3.647481 ESP Fit Center 7847 is at -6.155896 -1.532748 -3.647481 ESP Fit Center 7848 is at -6.047459 -1.937443 -3.647481 ESP Fit Center 7849 is at -5.751201 -2.233700 -3.647481 ESP Fit Center 7850 is at -5.346506 -2.342138 -3.647481 ESP Fit Center 7851 is at -4.938006 -1.532748 -3.730787 ESP Fit Center 7852 is at -5.142256 -1.178976 -3.730787 ESP Fit Center 7853 is at -5.550756 -1.178976 -3.730787 ESP Fit Center 7854 is at -5.755006 -1.532748 -3.730787 ESP Fit Center 7855 is at -5.550756 -1.886519 -3.730787 ESP Fit Center 7856 is at -5.142256 -1.886519 -3.730787 ESP Fit Center 7857 is at -5.346506 -1.532748 -3.758729 ESP Fit Center 7858 is at -4.243353 -1.964367 4.151142 ESP Fit Center 7859 is at -3.826035 -1.964367 4.119868 ESP Fit Center 7860 is at -4.034694 -1.602959 4.119868 ESP Fit Center 7861 is at -4.452012 -1.602959 4.119868 ESP Fit Center 7862 is at -4.660671 -1.964367 4.119868 ESP Fit Center 7863 is at -4.452012 -2.325775 4.119868 ESP Fit Center 7864 is at -4.034694 -2.325775 4.119868 ESP Fit Center 7865 is at -3.418038 -1.964367 4.026746 ESP Fit Center 7866 is at -3.528610 -1.551710 4.026746 ESP Fit Center 7867 is at -3.830696 -1.249624 4.026746 ESP Fit Center 7868 is at -4.243353 -1.139053 4.026746 ESP Fit Center 7869 is at -4.656010 -1.249624 4.026746 ESP Fit Center 7870 is at -4.958096 -1.551710 4.026746 ESP Fit Center 7871 is at -5.068667 -1.964367 4.026746 ESP Fit Center 7872 is at -4.958096 -2.377024 4.026746 ESP Fit Center 7873 is at -4.656010 -2.679110 4.026746 ESP Fit Center 7874 is at -4.243353 -2.789682 4.026746 ESP Fit Center 7875 is at -3.830696 -2.679110 4.026746 ESP Fit Center 7876 is at -3.528610 -2.377024 4.026746 ESP Fit Center 7877 is at -3.028478 -1.964367 3.873855 ESP Fit Center 7878 is at -3.101744 -1.548856 3.873855 ESP Fit Center 7879 is at -3.312705 -1.183461 3.873855 ESP Fit Center 7880 is at -3.635916 -0.912255 3.873855 ESP Fit Center 7881 is at -4.032392 -0.767949 3.873855 ESP Fit Center 7882 is at -4.454314 -0.767949 3.873855 ESP Fit Center 7883 is at -4.850790 -0.912255 3.873855 ESP Fit Center 7884 is at -5.174001 -1.183461 3.873855 ESP Fit Center 7885 is at -5.384961 -1.548856 3.873855 ESP Fit Center 7886 is at -5.458227 -1.964367 3.873855 ESP Fit Center 7887 is at -4.454314 -3.160785 3.873855 ESP Fit Center 7888 is at -4.032392 -3.160785 3.873855 ESP Fit Center 7889 is at -3.635916 -3.016479 3.873855 ESP Fit Center 7890 is at -3.312705 -2.745273 3.873855 ESP Fit Center 7891 is at -3.101744 -2.379879 3.873855 ESP Fit Center 7892 is at -2.666057 -1.964367 3.664610 ESP Fit Center 7893 is at -2.719802 -1.556133 3.664610 ESP Fit Center 7894 is at -2.877374 -1.175719 3.664610 ESP Fit Center 7895 is at -3.128036 -0.849050 3.664610 ESP Fit Center 7896 is at -3.454705 -0.598389 3.664610 ESP Fit Center 7897 is at -3.835119 -0.440816 3.664610 ESP Fit Center 7898 is at -4.243353 -0.387071 3.664610 ESP Fit Center 7899 is at -4.651587 -0.440816 3.664610 ESP Fit Center 7900 is at -5.032001 -0.598389 3.664610 ESP Fit Center 7901 is at -5.358670 -0.849050 3.664610 ESP Fit Center 7902 is at -5.609331 -1.175719 3.664610 ESP Fit Center 7903 is at -5.766904 -1.556133 3.664610 ESP Fit Center 7904 is at -4.243353 -3.541663 3.664610 ESP Fit Center 7905 is at -3.835119 -3.487918 3.664610 ESP Fit Center 7906 is at -3.454705 -3.330346 3.664610 ESP Fit Center 7907 is at -3.128036 -3.079684 3.664610 ESP Fit Center 7908 is at 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ESP Fit Center 7963 is at -1.936353 -3.537253 1.560386 ESP Fit Center 7964 is at -3.622036 -4.686532 1.141898 ESP Fit Center 7965 is at -3.223258 -4.563526 1.141898 ESP Fit Center 7966 is at -2.847268 -4.382458 1.141898 ESP Fit Center 7967 is at -2.502463 -4.147374 1.141898 ESP Fit Center 7968 is at -2.196547 -3.863526 1.141898 ESP Fit Center 7969 is at -3.723624 -4.644233 0.728083 ESP Fit Center 7970 is at -3.320635 -4.533490 0.728083 ESP Fit Center 7971 is at -2.939274 -4.362528 0.728083 ESP Fit Center 7972 is at -2.588480 -4.135356 0.728083 ESP Fit Center 7973 is at -2.276474 -3.857298 0.728083 ESP Fit Center 7974 is at -4.243353 -4.570814 0.328187 ESP Fit Center 7975 is at -3.835615 -4.538724 0.328187 ESP Fit Center 7976 is at -3.437917 -4.443245 0.328187 ESP Fit Center 7977 is at -3.060051 -4.286728 0.328187 ESP Fit Center 7978 is at -2.711322 -4.073027 0.328187 ESP Fit Center 7979 is at -4.551355 -4.369598 -0.048858 ESP Fit Center 7980 is at -4.140438 -4.387053 -0.048858 ESP Fit Center 7981 is at -3.732483 -4.334813 -0.048858 ESP Fit Center 7982 is at -3.339224 -4.214378 -0.048858 ESP Fit Center 7983 is at -2.971975 -4.029216 -0.048858 ESP Fit Center 7984 is at -3.333956 -3.955668 -0.394630 ESP Fit Center 7985 is at -2.973534 -3.747578 -0.394630 ESP Fit Center 7986 is at -0.012096 2.643680 2.171940 ESP Fit Center 7987 is at -0.122667 3.056338 2.171940 ESP Fit Center 7988 is at -0.424753 3.358424 2.171940 ESP Fit Center 7989 is at -0.837410 3.468995 2.171940 ESP Fit Center 7990 is at 0.377464 2.643680 2.019049 ESP Fit Center 7991 is at 0.304198 3.059192 2.019049 ESP Fit Center 7992 is at 0.093237 3.424587 2.019049 ESP Fit Center 7993 is at -0.229973 3.695792 2.019049 ESP Fit Center 7994 is at -0.626450 3.840098 2.019049 ESP Fit Center 7995 is at -1.048371 3.840098 2.019049 ESP Fit Center 7996 is at 0.304198 2.228169 2.019049 ESP Fit Center 7997 is at 0.739886 2.643680 1.809805 ESP Fit Center 7998 is at 0.686141 3.051915 1.809805 ESP Fit Center 7999 is at 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Center 8018 is at 1.312157 3.057976 1.242108 ESP Fit Center 8019 is at 1.194906 3.457297 1.242108 ESP Fit Center 8020 is at 1.004201 3.827212 1.242108 ESP Fit Center 8021 is at 0.746936 4.154352 1.242108 ESP Fit Center 8022 is at 0.432408 4.426891 1.242108 ESP Fit Center 8023 is at 0.071986 4.634981 1.242108 ESP Fit Center 8024 is at -0.321304 4.771100 1.242108 ESP Fit Center 8025 is at -0.733248 4.830329 1.242108 ESP Fit Center 8026 is at -1.148956 4.810526 1.242108 ESP Fit Center 8027 is at -1.553404 4.712408 1.242108 ESP Fit Center 8028 is at 1.312157 2.229385 1.242108 ESP Fit Center 8029 is at 1.587461 2.643680 0.896336 ESP Fit Center 8030 is at 1.552581 3.053485 0.896336 ESP Fit Center 8031 is at 1.448946 3.451501 0.896336 ESP Fit Center 8032 is at 1.279536 3.826278 0.896336 ESP Fit Center 8033 is at 1.049226 4.167033 0.896336 ESP Fit Center 8034 is at 0.764641 4.463964 0.896336 ESP Fit Center 8035 is at 0.433967 4.708529 0.896336 ESP Fit Center 8036 is at 0.066718 4.893692 0.896336 ESP Fit Center 8037 is at -0.326540 5.014126 0.896336 ESP Fit Center 8038 is at -0.734496 5.066367 0.896336 ESP Fit Center 8039 is at -1.145412 5.048911 0.896336 ESP Fit Center 8040 is at -1.547468 4.962261 0.896336 ESP Fit Center 8041 is at 1.552581 2.233875 0.896336 ESP Fit Center 8042 is at 1.769036 2.643680 0.519291 ESP Fit Center 8043 is at 1.736946 3.051418 0.519291 ESP Fit Center 8044 is at 1.641467 3.449117 0.519291 ESP Fit Center 8045 is at 1.484950 3.826982 0.519291 ESP Fit Center 8046 is at 1.271249 4.175711 0.519291 ESP Fit Center 8047 is at 1.005625 4.486716 0.519291 ESP Fit Center 8048 is at 0.694620 4.752340 0.519291 ESP Fit Center 8049 is at 0.345891 4.966041 0.519291 ESP Fit Center 8050 is at -0.031974 5.122558 0.519291 ESP Fit Center 8051 is at -0.429672 5.218037 0.519291 ESP Fit Center 8052 is at -0.837410 5.250127 0.519291 ESP Fit Center 8053 is at -1.245149 5.218037 0.519291 ESP Fit Center 8054 is at -1.642847 5.122558 0.519291 ESP Fit Center 8055 is at 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Center 8074 is at 0.558675 5.061771 -0.294419 ESP Fit Center 8075 is at 0.182684 5.242839 -0.294419 ESP Fit Center 8076 is at -0.216094 5.365845 -0.294419 ESP Fit Center 8077 is at -0.628751 5.428043 -0.294419 ESP Fit Center 8078 is at -1.046070 5.428043 -0.294419 ESP Fit Center 8079 is at -1.458727 5.365845 -0.294419 ESP Fit Center 8080 is at -1.857505 5.242839 -0.294419 ESP Fit Center 8081 is at 1.923574 3.059832 -0.712908 ESP Fit Center 8082 is at 1.830712 3.466687 -0.712908 ESP Fit Center 8083 is at 1.678248 3.855158 -0.712908 ESP Fit Center 8084 is at 1.469589 4.216566 -0.712908 ESP Fit Center 8085 is at 1.209395 4.542839 -0.712908 ESP Fit Center 8086 is at 0.903479 4.826687 -0.712908 ESP Fit Center 8087 is at 0.558675 5.061771 -0.712908 ESP Fit Center 8088 is at 0.182684 5.242839 -0.712908 ESP Fit Center 8089 is at -0.216094 5.365845 -0.712908 ESP Fit Center 8090 is at -0.628751 5.428043 -0.712908 ESP Fit Center 8091 is at -1.046070 5.428043 -0.712908 ESP Fit Center 8092 is at -1.458727 5.365845 -0.712908 ESP Fit Center 8093 is at -1.857505 5.242839 -0.712908 ESP Fit Center 8094 is at 1.860396 3.060382 -1.126722 ESP Fit Center 8095 is at 1.765169 3.467317 -1.126722 ESP Fit Center 8096 is at 1.608941 3.854946 -1.126722 ESP Fit Center 8097 is at 1.395372 4.214184 -1.126722 ESP Fit Center 8098 is at 1.129468 4.536611 -1.126722 ESP Fit Center 8099 is at 0.817463 4.814669 -1.126722 ESP Fit Center 8100 is at 0.466668 5.041841 -1.126722 ESP Fit Center 8101 is at 0.085307 5.212803 -1.126722 ESP Fit Center 8102 is at -0.317681 5.323546 -1.126722 ESP Fit Center 8103 is at -0.732852 5.371475 -1.126722 ESP Fit Center 8104 is at -1.150473 5.355467 -1.126722 ESP Fit Center 8105 is at -1.560757 5.275898 -1.126722 ESP Fit Center 8106 is at -1.954085 5.134631 -1.126722 ESP Fit Center 8107 is at 1.641467 3.449117 -1.526618 ESP Fit Center 8108 is at 1.484950 3.826982 -1.526618 ESP Fit Center 8109 is at 1.271249 4.175711 -1.526618 ESP Fit Center 8110 is at 1.005625 4.486716 -1.526618 ESP Fit Center 8111 is at 0.694620 4.752340 -1.526618 ESP Fit Center 8112 is at 0.345891 4.966041 -1.526618 ESP Fit Center 8113 is at -0.031974 5.122558 -1.526618 ESP Fit Center 8114 is at -0.429672 5.218037 -1.526618 ESP Fit Center 8115 is at -0.837410 5.250127 -1.526618 ESP Fit Center 8116 is at -1.245149 5.218037 -1.526618 ESP Fit Center 8117 is at -1.642847 5.122558 -1.526618 ESP Fit Center 8118 is at -2.020712 4.966041 -1.526618 ESP Fit Center 8119 is at 1.448946 3.451501 -1.903664 ESP Fit Center 8120 is at 1.279536 3.826278 -1.903664 ESP Fit Center 8121 is at 1.049226 4.167033 -1.903664 ESP Fit Center 8122 is at 0.764641 4.463964 -1.903664 ESP Fit Center 8123 is at 0.433967 4.708529 -1.903664 ESP Fit Center 8124 is at 0.066718 4.893692 -1.903664 ESP Fit Center 8125 is at -0.326540 5.014126 -1.903664 ESP Fit Center 8126 is at -0.734496 5.066367 -1.903664 ESP Fit Center 8127 is at -1.145412 5.048911 -1.903664 ESP Fit Center 8128 is at -1.547468 4.962261 -1.903664 ESP Fit Center 8129 is at -1.929097 4.808910 -1.903664 ESP Fit Center 8130 is at -2.279319 4.593270 -1.903664 ESP Fit Center 8131 is at 1.194906 3.457297 -2.249435 ESP Fit Center 8132 is at 1.004201 3.827212 -2.249435 ESP Fit Center 8133 is at 0.746936 4.154352 -2.249435 ESP Fit Center 8134 is at 0.432408 4.426891 -2.249435 ESP Fit Center 8135 is at 0.071986 4.634981 -2.249435 ESP Fit Center 8136 is at -0.321304 4.771100 -2.249435 ESP Fit Center 8137 is at -0.733248 4.830329 -2.249435 ESP Fit Center 8138 is at -1.148956 4.810526 -2.249435 ESP Fit Center 8139 is at -1.553404 4.712408 -2.249435 ESP Fit Center 8140 is at -1.931975 4.539521 -2.249435 ESP Fit Center 8141 is at -2.270985 4.298113 -2.249435 ESP Fit Center 8142 is at 0.891052 3.443352 -2.556209 ESP Fit Center 8143 is at 0.678736 3.796225 -2.556209 ESP Fit Center 8144 is at 0.395526 4.095205 -2.556209 ESP Fit Center 8145 is at 0.054666 4.326315 -2.556209 ESP Fit Center 8146 is at -0.327907 4.478746 -2.556209 ESP Fit Center 8147 is at 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3.695792 -3.026376 ESP Fit Center 8166 is at -1.768058 3.424587 -3.026376 ESP Fit Center 8167 is at -1.979019 3.059192 -3.026376 ESP Fit Center 8168 is at -0.122667 3.056338 -3.179267 ESP Fit Center 8169 is at -0.424753 3.358424 -3.179267 ESP Fit Center 8170 is at -0.837410 3.468995 -3.179267 ESP Fit Center 8171 is at -1.250068 3.358424 -3.179267 ESP Fit Center 8172 is at -1.552154 3.056338 -3.179267 ESP Fit Center 8173 is at -1.662725 2.643680 -3.179267 ESP Fit Center 8174 is at -0.628751 3.005089 -3.272390 ESP Fit Center 8175 is at -1.046070 3.005089 -3.272390 ESP Fit Center 8176 is at -1.254729 2.643680 -3.272390 ESP Fit Center 8177 is at -0.837410 2.643680 -3.303664 ESP Fit Center 8178 is at -1.639215 1.791423 2.738052 ESP Fit Center 8179 is at -1.230715 1.791423 2.710109 ESP Fit Center 8180 is at -1.434965 2.145194 2.710109 ESP Fit Center 8181 is at -1.843465 1.437651 2.710109 ESP Fit Center 8182 is at -1.434965 1.437651 2.710109 ESP Fit Center 8183 is at -0.829825 1.791423 2.626803 ESP Fit Center 8184 is at -0.938263 2.196118 2.626803 ESP Fit Center 8185 is at -1.234520 2.492375 2.626803 ESP Fit Center 8186 is at -1.639215 2.600813 2.626803 ESP Fit Center 8187 is at -0.938263 1.386728 2.626803 ESP Fit Center 8188 is at -0.444012 1.791423 2.489686 ESP Fit Center 8189 is at -0.516092 2.200206 2.489686 ESP Fit Center 8190 is at -0.723637 2.559685 2.489686 ESP Fit Center 8191 is at -1.041614 2.826499 2.489686 ESP Fit Center 8192 is at -1.431670 2.968468 2.489686 ESP Fit Center 8193 is at -0.080464 1.791423 2.301310 ESP Fit Center 8194 is at -0.138266 2.211969 2.301310 ESP Fit Center 8195 is at -0.307388 2.601325 2.301310 ESP Fit Center 8196 is at -0.575284 2.930615 2.301310 ESP Fit Center 8197 is at -0.922088 3.175415 2.301310 ESP Fit Center 8198 is at -1.322078 3.317572 2.301310 ESP Fit Center 8199 is at 0.254048 1.791423 2.065185 ESP Fit Center 8200 is at 0.209785 2.198419 2.065185 ESP Fit Center 8201 is at -2.848357 0.807713 -2.825207 ESP Fit Center 8202 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0.969838 ESP Fit Center 8423 is at -5.457084 4.449225 0.969838 ESP Fit Center 8424 is at -5.867367 4.369655 0.969838 ESP Fit Center 8425 is at -6.260696 4.228389 0.969838 ESP Fit Center 8426 is at -6.627851 4.028736 0.969838 ESP Fit Center 8427 is at -6.960226 3.775378 0.969838 ESP Fit Center 8428 is at -7.250031 3.474251 0.969838 ESP Fit Center 8429 is at -7.490473 3.132416 0.969838 ESP Fit Center 8430 is at -7.675916 2.757883 0.969838 ESP Fit Center 8431 is at -7.802013 2.359432 0.969838 ESP Fit Center 8432 is at -7.865810 1.946402 0.969838 ESP Fit Center 8433 is at -7.865810 1.528474 0.969838 ESP Fit Center 8434 is at -7.802013 1.115444 0.969838 ESP Fit Center 8435 is at -7.675916 0.716993 0.969838 ESP Fit Center 8436 is at -5.352680 4.521801 0.556024 ESP Fit Center 8437 is at -5.765338 4.459603 0.556024 ESP Fit Center 8438 is at -6.164116 4.336596 0.556024 ESP Fit Center 8439 is at -6.540107 4.155529 0.556024 ESP Fit Center 8440 is at -6.884911 3.920445 0.556024 ESP Fit Center 8441 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0.137535 ESP Fit Center 8460 is at -7.905006 1.321287 0.137535 ESP Fit Center 8461 is at -7.812144 0.914431 0.137535 ESP Fit Center 8462 is at -7.659680 0.525961 0.137535 ESP Fit Center 8463 is at -5.457084 4.449225 -0.276279 ESP Fit Center 8464 is at -5.867367 4.369655 -0.276279 ESP Fit Center 8465 is at -6.260696 4.228389 -0.276279 ESP Fit Center 8466 is at -6.627851 4.028736 -0.276279 ESP Fit Center 8467 is at -6.960226 3.775378 -0.276279 ESP Fit Center 8468 is at -7.250031 3.474251 -0.276279 ESP Fit Center 8469 is at -7.490473 3.132416 -0.276279 ESP Fit Center 8470 is at -7.675916 2.757883 -0.276279 ESP Fit Center 8471 is at -7.802013 2.359432 -0.276279 ESP Fit Center 8472 is at -7.865810 1.946402 -0.276279 ESP Fit Center 8473 is at -7.865810 1.528474 -0.276279 ESP Fit Center 8474 is at -7.802013 1.115444 -0.276279 ESP Fit Center 8475 is at -7.675916 0.716993 -0.276279 ESP Fit Center 8476 is at -5.551759 4.311795 -0.676175 ESP Fit Center 8477 is at -5.949458 4.216316 -0.676175 ESP Fit Center 8478 is at -6.327323 4.059799 -0.676175 ESP Fit Center 8479 is at -6.676052 3.846098 -0.676175 ESP Fit Center 8480 is at -6.987057 3.580474 -0.676175 ESP Fit Center 8481 is at -7.252681 3.269469 -0.676175 ESP Fit Center 8482 is at -7.466382 2.920740 -0.676175 ESP Fit Center 8483 is at -7.622899 2.542874 -0.676175 ESP Fit Center 8484 is at -7.718378 2.145176 -0.676175 ESP Fit Center 8485 is at -7.750468 1.737438 -0.676175 ESP Fit Center 8486 is at -7.718378 1.329700 -0.676175 ESP Fit Center 8487 is at -7.622899 0.932002 -0.676175 ESP Fit Center 8488 is at -5.452023 4.142669 -1.053221 ESP Fit Center 8489 is at -5.854079 4.056019 -1.053221 ESP Fit Center 8490 is at -6.235707 3.902668 -1.053221 ESP Fit Center 8491 is at -6.585930 3.687027 -1.053221 ESP Fit Center 8492 is at -6.894672 3.415301 -1.053221 ESP Fit Center 8493 is at -7.153050 3.095305 -1.053221 ESP Fit Center 8494 is at -7.353633 2.736245 -1.053221 ESP Fit Center 8495 is at -7.490649 2.348452 -1.053221 ESP Fit Center 8496 is at -7.560157 1.943081 -1.053221 ESP Fit Center 8497 is at -7.560157 1.531795 -1.053221 ESP Fit Center 8498 is at -7.490649 1.126424 -1.053221 ESP Fit Center 8499 is at -5.039858 3.924087 -1.398992 ESP Fit Center 8500 is at -5.455567 3.904284 -1.398992 ESP Fit Center 8501 is at -5.860015 3.806166 -1.398992 ESP Fit Center 8502 is at -6.238585 3.633279 -1.398992 ESP Fit Center 8503 is at -6.577595 3.391871 -1.398992 ESP Fit Center 8504 is at -6.864792 3.090667 -1.398992 ESP Fit Center 8505 is at -7.089796 2.740555 -1.398992 ESP Fit Center 8506 is at -7.244474 2.354187 -1.398992 ESP Fit Center 8507 is at -7.323237 1.945528 -1.398992 ESP Fit Center 8508 is at -7.323237 1.529348 -1.398992 ESP Fit Center 8509 is at -5.040915 3.639129 -1.705766 ESP Fit Center 8510 is at -5.452132 3.616833 -1.705766 ESP Fit Center 8511 is at -5.848943 3.506659 -1.705766 ESP Fit Center 8512 is at -6.212793 3.313758 -1.705766 ESP Fit Center 8513 is at -6.526668 3.047150 -1.705766 ESP Fit Center 8514 is at 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ESP Fit Center 8642 is at -7.281037 -1.048543 2.608316 ESP Fit Center 8643 is at -7.089456 -1.430013 2.608316 ESP Fit Center 8644 is at -7.130455 0.934116 2.265626 ESP Fit Center 8645 is at -7.370701 0.588945 2.265626 ESP Fit Center 8646 is at -7.536547 0.202478 2.265626 ESP Fit Center 8647 is at -7.621203 -0.209462 2.265626 ESP Fit Center 8648 is at -7.621203 -0.630011 2.265626 ESP Fit Center 8649 is at -7.536547 -1.041951 2.265626 ESP Fit Center 8650 is at -7.370701 -1.428418 2.265626 ESP Fit Center 8651 is at -7.130455 -1.773589 2.265626 ESP Fit Center 8652 is at -7.557963 0.613684 1.886474 ESP Fit Center 8653 is at -7.717314 0.215644 1.886474 ESP Fit Center 8654 is at -7.798456 -0.205360 1.886474 ESP Fit Center 8655 is at -7.798456 -0.634113 1.886474 ESP Fit Center 8656 is at -7.717314 -1.055117 1.886474 ESP Fit Center 8657 is at -7.557963 -1.453158 1.886474 ESP Fit Center 8658 is at -7.682880 0.605764 1.482381 ESP Fit Center 8659 is at -7.831769 0.209052 1.482381 ESP Fit Center 8660 is at -7.907429 -0.207871 1.482381 ESP Fit Center 8661 is at -7.907429 -0.631603 1.482381 ESP Fit Center 8662 is at -7.831769 -1.048525 1.482381 ESP Fit Center 8663 is at -7.682880 -1.445238 1.482381 ESP Fit Center 8664 is at -7.808668 0.401112 1.065626 ESP Fit Center 8665 is at -7.916944 -0.002981 1.065626 ESP Fit Center 8666 is at -7.953406 -0.419737 1.065626 ESP Fit Center 8667 is at -7.916944 -0.836492 1.065626 ESP Fit Center 8668 is at -7.808668 -1.240585 1.065626 ESP Fit Center 8669 is at -7.831769 0.209052 0.648870 ESP Fit Center 8670 is at -7.907429 -0.207871 0.648870 ESP Fit Center 8671 is at -7.907429 -0.631603 0.648870 ESP Fit Center 8672 is at -7.717314 0.215644 0.244777 ESP Fit Center 8673 is at -7.750844 0.298223 -0.552206 ESP Fit Center 8674 is at -7.658429 0.654055 -0.956299 ESP Fit Center 8675 is at -7.875761 0.290303 -0.956299 ESP Fit Center 8676 is at -8.024650 -0.106410 -0.956299 ESP Fit Center 8677 is at -7.288977 1.103308 -1.373055 ESP Fit Center 8678 is at 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8822 is at -8.063644 -3.620721 -0.965729 ESP Fit Center 8823 is at -7.784855 -3.939821 -0.965729 ESP Fit Center 8824 is at -7.453568 -4.204014 -0.965729 ESP Fit Center 8825 is at -7.080431 -4.404807 -0.965729 ESP Fit Center 8826 is at -6.677438 -4.535747 -0.965729 ESP Fit Center 8827 is at -6.257541 -4.592626 -0.965729 ESP Fit Center 8828 is at -5.834236 -4.573616 -0.965729 ESP Fit Center 8829 is at -8.315410 -1.596087 -1.369822 ESP Fit Center 8830 is at -8.396552 -2.017091 -1.369822 ESP Fit Center 8831 is at -8.396552 -2.445844 -1.369822 ESP Fit Center 8832 is at -8.315410 -2.866848 -1.369822 ESP Fit Center 8833 is at -8.156059 -3.264889 -1.369822 ESP Fit Center 8834 is at -7.924257 -3.625578 -1.369822 ESP Fit Center 8835 is at -7.628384 -3.935881 -1.369822 ESP Fit Center 8836 is at -7.279133 -4.184582 -1.369822 ESP Fit Center 8837 is at -6.889126 -4.362692 -1.369822 ESP Fit Center 8838 is at -6.472459 -4.463775 -1.369822 ESP Fit Center 8839 is at -6.044192 -4.484175 -1.369822 ESP Fit 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3.101194 ESP Fit Center 9202 is at 0.805463 0.367459 3.101194 ESP Fit Center 9203 is at 0.381952 0.396428 3.101194 ESP Fit Center 9204 is at -0.033669 0.310061 3.101194 ESP Fit Center 9205 is at 1.995539 -0.012936 2.865070 ESP Fit Center 9206 is at 1.713998 0.284284 2.865070 ESP Fit Center 9207 is at 1.375146 0.514031 2.865070 ESP Fit Center 9208 is at 0.994827 0.665564 2.865070 ESP Fit Center 9209 is at 0.590824 0.731797 2.865070 ESP Fit Center 9210 is at 0.182029 0.709633 2.865070 ESP Fit Center 9211 is at -0.212444 0.600108 2.865070 ESP Fit Center 9212 is at -0.574150 0.408343 2.865070 ESP Fit Center 9213 is at 2.075118 0.354313 2.585596 ESP Fit Center 9214 is at 1.760104 0.627274 2.585596 ESP Fit Center 9215 is at 1.399126 0.835685 2.585596 ESP Fit Center 9216 is at 1.005228 0.972014 2.585596 ESP Fit Center 9217 is at 0.592649 1.031334 2.585596 ESP Fit Center 9218 is at 0.176299 1.011501 2.585596 ESP Fit Center 9219 is at -0.228774 0.913231 2.585596 ESP Fit Center 9220 is at 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ESP Fit Center 9239 is at -0.980301 -3.702425 -0.072432 ESP Fit Center 9240 is at -0.611989 -3.882063 -0.072432 ESP Fit Center 9241 is at -0.222260 -4.008694 -0.072432 ESP Fit Center 9242 is at -0.804200 -3.672667 -0.466703 ESP Fit Center 9243 is at -0.424388 -3.834070 -0.466703 ESP Fit Center 9244 is at -0.720949 -3.532025 -0.842259 ESP Fit Center 9245 is at -0.334790 -3.691977 -0.842259 ESP Fit Center 9246 is at -0.969067 -3.129215 -1.192105 ESP Fit Center 9247 is at -0.615084 -3.347171 -1.192105 ESP Fit Center 9248 is at -0.229357 -3.502169 -1.192105 ESP Fit Center 9249 is at -0.947462 -2.815677 -1.509723 ESP Fit Center 9250 is at -0.607929 -3.057458 -1.509723 ESP Fit Center 9251 is at -0.228774 -3.230612 -1.509723 ESP Fit Center 9252 is at -0.212444 -2.917488 -1.789198 ESP Fit Center 9253 is at 1.749371 -1.700715 3.364826 ESP Fit Center 9254 is at 2.157871 -1.700715 3.336884 ESP Fit Center 9255 is at 1.953621 -1.346944 3.336884 ESP Fit Center 9256 is at 2.450323 -1.296020 3.253578 ESP Fit Center 9257 is at 2.154066 -0.999763 3.253578 ESP Fit Center 9258 is at 1.749371 -0.891325 3.253578 ESP Fit Center 9259 is at 2.872495 -1.291932 3.116460 ESP Fit Center 9260 is at 2.664950 -0.932453 3.116460 ESP Fit Center 9261 is at 2.346973 -0.665639 3.116460 ESP Fit Center 9262 is at 1.956916 -0.523670 3.116460 ESP Fit Center 9263 is at 3.081199 -0.890813 2.928084 ESP Fit Center 9264 is at 2.813302 -0.561523 2.928084 ESP Fit Center 9265 is at 2.466498 -0.316723 2.928084 ESP Fit Center 9266 is at 2.066508 -0.174566 2.928084 ESP Fit Center 9267 is at 2.975044 -0.257741 2.691960 ESP Fit Center 9268 is at 2.636192 -0.027994 2.691960 ESP Fit Center 9269 is at 2.255873 0.123539 2.691960 ESP Fit Center 9270 is at 3.021150 0.085249 2.412485 ESP Fit Center 9271 is at 2.660172 0.293660 2.412485 ESP Fit Center 9272 is at 2.266274 0.429989 2.412485 ESP Fit Center 9273 is at 3.034401 0.386306 2.094867 ESP Fit Center 9274 is at 2.663208 0.573457 2.094867 ESP Fit Center 9275 is at 2.265727 0.695184 2.094867 ESP Fit Center 9276 is at 2.572486 0.832572 1.745021 ESP Fit Center 9277 is at 0.456846 -4.214692 1.369465 ESP Fit Center 9278 is at 0.280745 -4.244450 0.975194 ESP Fit Center 9279 is at 0.649057 -4.424088 0.975194 ESP Fit Center 9280 is at 0.252868 -4.292735 0.569553 ESP Fit Center 9281 is at 0.628171 -4.475782 0.569553 ESP Fit Center 9282 is at 1.025297 -4.604817 0.569553 ESP Fit Center 9283 is at 0.252868 -4.292735 0.160099 ESP Fit Center 9284 is at 0.628171 -4.475782 0.160099 ESP Fit Center 9285 is at 1.025297 -4.604817 0.160099 ESP Fit Center 9286 is at 1.436517 -4.677326 0.160099 ESP Fit Center 9287 is at 1.853825 -4.691898 0.160099 ESP Fit Center 9288 is at -0.058982 -4.015302 -0.245542 ESP Fit Center 9289 is at 0.280745 -4.244450 -0.245542 ESP Fit Center 9290 is at 0.649057 -4.424088 -0.245542 ESP Fit Center 9291 is at 1.038785 -4.550719 -0.245542 ESP Fit Center 9292 is at 1.442344 -4.621877 -0.245542 ESP Fit Center 9293 is at 1.851880 -4.636178 -0.245542 ESP Fit Center 9294 is at 0.104582 -3.999709 -0.639813 ESP Fit Center 9295 is at 0.456846 -4.214692 -0.639813 ESP Fit Center 9296 is at 0.836658 -4.376095 -0.639813 ESP Fit Center 9297 is at 1.235923 -4.480476 -0.639813 ESP Fit Center 9298 is at 1.646131 -4.525612 -0.639813 ESP Fit Center 9299 is at 2.058540 -4.510540 -0.639813 ESP Fit Center 9300 is at 0.183713 -3.855658 -1.015369 ESP Fit Center 9301 is at 0.540097 -4.074050 -1.015369 ESP Fit Center 9302 is at 0.926256 -4.234002 -1.015369 ESP Fit Center 9303 is at 1.332683 -4.331577 -1.015369 ESP Fit Center 9304 is at 1.749371 -4.364371 -1.015369 ESP Fit Center 9305 is at 0.291979 -3.671240 -1.365215 ESP Fit Center 9306 is at 0.645962 -3.889196 -1.365215 ESP Fit Center 9307 is at 1.031689 -4.044194 -1.365215 ESP Fit Center 9308 is at 1.438062 -4.131774 -1.365215 ESP Fit Center 9309 is at 1.853390 -4.149417 -1.365215 ESP Fit Center 9310 is at 0.313584 -3.357702 -1.682833 ESP Fit Center 9311 is at 0.653117 -3.599483 -1.682833 ESP Fit Center 9312 is at 1.032272 -3.772637 -1.682833 ESP Fit Center 9313 is at 1.437344 -3.870907 -1.682833 ESP Fit Center 9314 is at 0.374870 -3.002712 -1.962308 ESP Fit Center 9315 is at 0.686896 -3.267749 -1.962308 ESP Fit Center 9316 is at 1.663193 -3.956638 -1.675535 ESP Fit Center 9317 is at 0.692416 -3.164748 -2.051091 ESP Fit Center 9318 is at 1.010248 -3.436201 -2.051091 ESP Fit Center 9319 is at 1.366631 -3.654593 -2.051091 ESP Fit Center 9320 is at 1.752791 -3.814546 -2.051091 ESP Fit Center 9321 is at 0.806456 -2.977138 -2.400937 ESP Fit Center 9322 is at 1.118513 -3.251783 -2.400937 ESP Fit Center 9323 is at 1.472497 -3.469739 -2.400937 ESP Fit Center 9324 is at 1.858223 -3.624737 -2.400937 ESP Fit Center 9325 is at 1.140118 -2.938246 -2.718555 ESP Fit Center 9326 is at 1.479652 -3.180026 -2.718555 ESP Fit Center 9327 is at 1.858806 -3.353180 -2.718555 ESP Fit Center 9328 is at 1.875136 -3.040057 -2.998030 ESP Fit Center 9329 is at 2.269609 -3.149582 -2.998030 ESP Fit Center 9330 is at 2.803694 2.431942 -0.525041 ESP Fit Center 9331 is at 2.996367 2.490568 -0.919312 ESP Fit Center 9332 is at 3.400754 2.387172 -1.324953 ESP Fit Center 9333 is at 3.013596 2.543594 -1.324953 ESP Fit Center 9334 is at 3.762374 2.178390 -1.734407 ESP Fit Center 9335 is at 3.400754 2.387172 -1.734407 ESP Fit Center 9336 is at 3.013596 2.543594 -1.734407 ESP Fit Center 9337 is at 2.608436 2.644611 -1.734407 ESP Fit Center 9338 is at 2.996367 2.490568 -2.140048 ESP Fit Center 9339 is at 2.598755 2.589704 -2.140048 ESP Fit Center 9340 is at 0.280353 -2.617511 -2.140048 ESP Fit Center 9341 is at 0.443917 -2.601918 -2.534319 ESP Fit Center 9342 is at 0.523049 -2.457867 -2.909875 ESP Fit Center 9343 is at 0.879432 -2.676259 -2.909875 ESP Fit Center 9344 is at 1.265591 -2.836212 -2.909875 ESP Fit Center 9345 is at 0.631314 -2.273449 -3.259721 ESP Fit Center 9346 is at 0.985298 -2.491405 -3.259721 ESP Fit Center 9347 is at 1.371024 -2.646403 -3.259721 ESP Fit Center 9348 is at 1.777397 -2.733983 -3.259721 ESP Fit Center 9349 is at 2.192726 -2.751626 -3.259721 ESP Fit Center 9350 is at 0.652919 -1.959912 -3.577340 ESP Fit Center 9351 is at 0.992452 -2.201692 -3.577340 ESP Fit Center 9352 is at 1.371607 -2.374846 -3.577340 ESP Fit Center 9353 is at 1.776680 -2.473116 -3.577340 ESP Fit Center 9354 is at 2.193030 -2.492949 -3.577340 ESP Fit Center 9355 is at 2.605610 -2.433629 -3.577340 ESP Fit Center 9356 is at 0.714205 -1.604921 -3.856814 ESP Fit Center 9357 is at 1.026231 -1.869958 -3.856814 ESP Fit Center 9358 is at 1.387937 -2.061723 -3.856814 ESP Fit Center 9359 is at 1.782410 -2.171248 -3.856814 ESP Fit Center 9360 is at 2.191205 -2.193412 -3.856814 ESP Fit Center 9361 is at 2.595208 -2.127179 -3.856814 ESP Fit Center 9362 is at 2.975527 -1.975646 -3.856814 ESP Fit Center 9363 is at 0.879565 -1.286634 -4.092938 ESP Fit Center 9364 is at 1.189805 -1.576378 -4.092938 ESP Fit Center 9365 is at 1.566712 -1.771676 -4.092938 ESP Fit Center 9366 is at 1.982333 -1.858043 -4.092938 ESP Fit Center 9367 is at 2.405844 -1.829074 -4.092938 ESP Fit Center 9368 is at 2.805833 -1.686917 -4.092938 ESP Fit Center 9369 is at 0.965583 -0.711708 -4.281314 ESP Fit Center 9370 is at 1.173127 -1.071186 -4.281314 ESP Fit Center 9371 is at 1.491105 -1.338001 -4.281314 ESP Fit Center 9372 is at 1.881161 -1.479970 -4.281314 ESP Fit Center 9373 is at 2.296251 -1.479970 -4.281314 ESP Fit Center 9374 is at 1.387754 0.101771 -4.418432 ESP Fit Center 9375 is at 1.279316 -0.302925 -4.418432 ESP Fit Center 9376 is at 1.387754 -0.707620 -4.418432 ESP Fit Center 9377 is at 1.684011 -1.003877 -4.418432 ESP Fit Center 9378 is at 2.088706 -1.112315 -4.418432 ESP Fit Center 9379 is at 1.680206 -0.302925 -4.501738 ESP Fit Center 9380 is at 1.884456 -0.656696 -4.501738 ESP Fit Center 9381 is at 2.051438 1.681452 0.961017 ESP Fit Center 9382 is at 1.712586 1.911200 0.961017 ESP Fit Center 9383 is at 2.097544 2.024443 0.681542 ESP Fit Center 9384 is at 1.736565 2.232854 0.681542 ESP Fit Center 9385 is at 2.445019 2.078308 0.363924 ESP Fit Center 9386 is at 2.110795 2.325499 0.363924 ESP Fit Center 9387 is at 2.391422 2.393421 0.014078 ESP Fit Center 9388 is at 2.035039 2.611813 0.014078 ESP Fit Center 9389 is at 2.633981 2.411277 -0.361478 ESP Fit Center 9390 is at 2.298350 2.651401 -0.361478 ESP Fit Center 9391 is at 2.468255 2.673571 -0.755749 ESP Fit Center 9392 is at 2.113371 2.878463 -0.755749 ESP Fit Center 9393 is at 2.499433 2.719793 -1.161390 ESP Fit Center 9394 is at 2.137812 2.928575 -1.161390 ESP Fit Center 9395 is at 2.499433 2.719793 -1.570844 ESP Fit Center 9396 is at 2.137812 2.928575 -1.570844 ESP Fit Center 9397 is at 1.750655 3.084996 -1.570844 ESP Fit Center 9398 is at 2.468255 2.673571 -1.976485 ESP Fit Center 9399 is at 2.113371 2.878463 -1.976485 ESP Fit Center 9400 is at 2.298350 2.651401 -2.370756 ESP Fit Center 9401 is at -0.086948 -2.436901 -2.370756 ESP Fit Center 9402 is at -1.057724 -1.645011 -2.746312 ESP Fit Center 9403 is at -0.739893 -1.916464 -2.746312 ESP Fit Center 9404 is at -0.383510 -2.134856 -2.746312 ESP Fit Center 9405 is at 0.002650 -2.294809 -2.746312 ESP Fit Center 9406 is at -1.546061 -0.379097 -3.096158 ESP Fit Center 9407 is at -1.407574 -0.771054 -3.096158 ESP Fit Center 9408 is at -1.204838 -1.133969 -3.096158 ESP Fit Center 9409 is at -0.943684 -1.457401 -3.096158 ESP Fit Center 9410 is at -0.631627 -1.732046 -3.096158 ESP Fit Center 9411 is at -0.277644 -1.950002 -3.096158 ESP Fit Center 9412 is at 0.108083 -2.105000 -3.096158 ESP Fit Center 9413 is at -1.356815 0.030067 -3.413776 ESP Fit Center 9414 is at -1.277931 -0.379223 -3.413776 ESP Fit Center 9415 is at -1.123014 -0.766187 -3.413776 ESP Fit Center 9416 is at -0.897663 -1.116840 -3.413776 ESP Fit Center 9417 is at -0.610023 -1.418509 -3.413776 ESP Fit Center 9418 is at -0.270489 -1.660289 -3.413776 ESP Fit Center 9419 is at 0.108666 -1.833443 -3.413776 ESP Fit Center 9420 is at -1.056401 0.033781 -3.693251 ESP Fit Center 9421 is at -0.968393 -0.366044 -3.693251 ESP Fit Center 9422 is at -0.796492 -0.737601 -3.693251 ESP Fit Center 9423 is at -0.548736 -1.063518 -3.693251 ESP Fit Center 9424 is at -0.236710 -1.328555 -3.693251 ESP Fit Center 9425 is at 0.124996 -1.520320 -3.693251 ESP Fit Center 9426 is at -0.718469 0.026228 -3.929375 ESP Fit Center 9427 is at -0.603940 -0.382530 -3.929375 ESP Fit Center 9428 is at -0.383377 -0.745231 -3.929375 ESP Fit Center 9429 is at -0.073137 -1.034975 -3.929375 ESP Fit Center 9430 is at 0.303771 -1.230273 -3.929375 ESP Fit Center 9431 is at -0.297359 -0.170305 -4.117751 ESP Fit Center 9432 is at -0.089814 -0.529784 -4.117751 ESP Fit Center 9433 is at 0.228163 -0.796598 -4.117751 ESP Fit Center 9434 is at 0.618220 -0.938567 -4.117751 ESP Fit Center 9435 is at 0.124812 -0.166217 -4.254869 ESP Fit Center 9436 is at 0.421070 -0.462474 -4.254869 ESP Fit Center 9437 is at 0.825765 -0.570912 -4.254869 ESP Fit Center 9438 is at 0.417265 0.238478 -4.338175 ESP Fit Center 9439 is at 0.621515 -0.115293 -4.338175 ESP Fit Center 9440 is at 1.030015 -0.115293 -4.338175 ESP Fit Center 9441 is at 0.825765 0.238478 -4.366117 ESP Fit Center 9442 is at -0.115248 -1.485114 3.766514 ESP Fit Center 9443 is at 0.301508 -1.485114 3.730052 ESP Fit Center 9444 is at 0.093130 -1.124193 3.730052 ESP Fit Center 9445 is at -0.323626 -1.124193 3.730052 ESP Fit Center 9446 is at -0.532003 -1.485114 3.730052 ESP Fit Center 9447 is at -0.323626 -1.846035 3.730052 ESP Fit Center 9448 is at 0.093130 -1.846035 3.730052 ESP Fit Center 9449 is at 0.705601 -1.485114 3.621776 ESP Fit Center 9450 is at 0.595628 -1.074690 3.621776 ESP Fit Center 9451 is at 0.295176 -0.774239 3.621776 ESP Fit Center 9452 is at -0.115248 -0.664266 3.621776 ESP Fit Center 9453 is at -0.525672 -0.774239 3.621776 ESP Fit Center 9454 is at -0.826123 -1.074690 3.621776 ESP Fit Center 9455 is at -0.936096 -1.485114 3.621776 ESP Fit Center 9456 is at -0.826123 -1.895538 3.621776 ESP Fit Center 9457 is at -0.525672 -2.195990 3.621776 ESP Fit Center 9458 is at -0.115248 -2.305963 3.621776 ESP Fit Center 9459 is at 0.295176 -2.195990 3.621776 ESP Fit Center 9460 is at 0.595628 -1.895538 3.621776 ESP Fit Center 9461 is at 0.093130 -0.303345 3.444975 ESP Fit Center 9462 is at -0.323626 -0.303345 3.444975 ESP Fit Center 9463 is at -0.715248 -0.445884 3.444975 ESP Fit Center 9464 is at -1.034501 -0.713769 3.444975 ESP Fit Center 9465 is at -1.242879 -1.074690 3.444975 ESP Fit Center 9466 is at -1.315248 -1.485114 3.444975 ESP Fit Center 9467 is at -1.242879 -1.895538 3.444975 ESP Fit Center 9468 is at -1.034501 -2.256459 3.444975 ESP Fit Center 9469 is at -0.715248 -2.524345 3.444975 ESP Fit Center 9470 is at -0.323626 -2.666884 3.444975 ESP Fit Center 9471 is at 0.093130 -2.666884 3.444975 ESP Fit Center 9472 is at 0.484752 -2.524345 3.444975 ESP Fit Center 9473 is at 0.804006 -2.256459 3.444975 ESP Fit Center 9474 is at 1.012383 -1.895538 3.444975 ESP Fit Center 9475 is at -0.220525 0.053980 3.205020 ESP Fit Center 9476 is at -0.631863 -0.031497 3.205020 ESP Fit Center 9477 is at -1.004887 -0.224783 3.205020 ESP Fit Center 9478 is at -1.311930 -0.511541 3.205020 ESP Fit Center 9479 is at -1.530221 -0.870505 3.205020 ESP Fit Center 9480 is at -1.643569 -1.275051 3.205020 ESP Fit Center 9481 is at -1.643569 -1.695177 3.205020 ESP Fit Center 9482 is at -1.530221 -2.099724 3.205020 ESP Fit Center 9483 is at -1.311930 -2.458687 3.205020 ESP Fit Center 9484 is at -1.004887 -2.745446 3.205020 ESP Fit Center 9485 is at -0.631863 -2.938731 3.205020 ESP Fit Center 9486 is at -0.220525 -3.024208 3.205020 ESP Fit Center 9487 is at 0.198622 -2.995538 3.205020 ESP Fit Center 9488 is at 0.594490 -2.854846 3.205020 ESP Fit Center 9489 is at 0.937720 -2.612568 3.205020 ESP Fit Center 9490 is at -1.034501 0.107079 2.909204 ESP Fit Center 9491 is at -1.376908 -0.147833 2.909204 ESP Fit Center 9492 is at -1.842879 -2.113921 2.909204 ESP Fit Center 9493 is at -1.651298 -2.495390 2.909204 ESP Fit Center 9494 is at -1.376908 -2.822396 2.909204 ESP Fit Center 9495 is at -1.034501 -3.077308 2.909204 ESP Fit Center 9496 is at -0.642537 -3.246384 2.909204 ESP Fit Center 9497 is at -0.222147 -3.320510 2.909204 ESP Fit Center 9498 is at 0.204006 -3.295690 2.909204 ESP Fit Center 9499 is at 0.612947 -3.173261 2.909204 ESP Fit Center 9500 is at -1.692297 -2.838967 2.566514 ESP Fit Center 9501 is at -1.387486 -3.128711 2.566514 ESP Fit Center 9502 is at -1.030590 -3.351166 2.566514 ESP Fit Center 9503 is at -0.636219 -3.497225 2.566514 ESP Fit Center 9504 is at -0.220520 -3.560908 2.566514 ESP Fit Center 9505 is at 0.199489 -3.539607 2.566514 ESP Fit Center 9506 is at -1.592131 -3.189528 2.187362 ESP Fit Center 9507 is at -1.242879 -3.438229 2.187362 ESP Fit Center 9508 is at -0.852872 -3.616339 2.187362 ESP Fit Center 9509 is at -0.436205 -3.717421 2.187362 ESP Fit Center 9510 is at -0.007938 -3.737822 2.187362 ESP Fit Center 9511 is at -1.417314 -3.457660 1.783269 ESP Fit Center 9512 is at -1.044178 -3.658454 1.783269 ESP Fit Center 9513 is at -0.641185 -3.789394 1.783269 ESP Fit Center 9514 is at -0.221288 -3.846273 1.783269 ESP Fit Center 9515 is at -1.315248 -3.563575 1.366514 ESP Fit Center 9516 is at -0.936096 -3.740377 1.366514 ESP Fit Center 9517 is at 2.094944 -2.454398 3.451741 ESP Fit Center 9518 is at 2.511700 -2.454398 3.415280 ESP Fit Center 9519 is at 2.303322 -2.093477 3.415280 ESP Fit Center 9520 is at 1.886566 -2.093477 3.415280 ESP Fit Center 9521 is at 1.678188 -2.454398 3.415280 ESP Fit Center 9522 is at 1.886566 -2.815319 3.415280 ESP Fit Center 9523 is at 2.303322 -2.815319 3.415280 ESP Fit Center 9524 is at 2.915792 -2.454398 3.307003 ESP Fit Center 9525 is at 2.805819 -2.043973 3.307003 ESP Fit Center 9526 is at 2.505368 -1.743522 3.307003 ESP Fit Center 9527 is at 1.274096 -2.454398 3.307003 ESP Fit Center 9528 is at 1.384068 -2.864822 3.307003 ESP Fit Center 9529 is at 1.684520 -3.165273 3.307003 ESP Fit Center 9530 is at 2.094944 -3.275246 3.307003 ESP Fit Center 9531 is at 2.505368 -3.165273 3.307003 ESP Fit Center 9532 is at 2.805819 -2.864822 3.307003 ESP Fit Center 9533 is at 3.294944 -2.454398 3.130202 ESP Fit Center 9534 is at 3.222575 -2.043973 3.130202 ESP Fit Center 9535 is at 3.014197 -1.683053 3.130202 ESP Fit Center 9536 is at 0.967313 -2.864822 3.130202 ESP Fit Center 9537 is at 1.175691 -3.225743 3.130202 ESP Fit Center 9538 is at 1.494944 -3.493628 3.130202 ESP Fit Center 9539 is at 1.886566 -3.636167 3.130202 ESP Fit Center 9540 is at 2.303322 -3.636167 3.130202 ESP Fit Center 9541 is at 2.694944 -3.493628 3.130202 ESP Fit Center 9542 is at 3.014197 -3.225743 3.130202 ESP Fit Center 9543 is at 3.222575 -2.864822 3.130202 ESP Fit Center 9544 is at 0.898262 -3.427971 2.890248 ESP Fit Center 9545 is at 1.205305 -3.714729 2.890248 ESP Fit Center 9546 is at 1.578328 -3.908014 2.890248 ESP Fit Center 9547 is at 1.989667 -3.993492 2.890248 ESP Fit Center 9548 is at 2.408813 -3.964821 2.890248 ESP Fit Center 9549 is at 2.804682 -3.824130 2.890248 ESP Fit Center 9550 is at 3.147912 -3.581851 2.890248 ESP Fit Center 9551 is at 3.413048 -3.255955 2.890248 ESP Fit Center 9552 is at 3.580427 -2.870610 2.890248 ESP Fit Center 9553 is at 0.558894 -3.464674 2.594431 ESP Fit Center 9554 is at 0.833284 -3.791679 2.594431 ESP Fit Center 9555 is at 1.175691 -4.046591 2.594431 ESP Fit Center 9556 is at 1.567654 -4.215668 2.594431 ESP Fit Center 9557 is at 1.988044 -4.289794 2.594431 ESP Fit Center 9558 is at 2.414197 -4.264973 2.594431 ESP Fit Center 9559 is at 2.823139 -4.142544 2.594431 ESP Fit Center 9560 is at 3.192824 -3.929106 2.594431 ESP Fit Center 9561 is at 3.503322 -3.636167 2.594431 ESP Fit Center 9562 is at 3.737893 -3.279518 2.594431 ESP Fit Center 9563 is at 0.517895 -3.808250 2.251741 ESP Fit Center 9564 is at 0.822705 -4.097994 2.251741 ESP Fit Center 9565 is at 1.179602 -4.320449 2.251741 ESP Fit Center 9566 is at 1.573972 -4.466508 2.251741 ESP Fit Center 9567 is at 1.989672 -4.530191 2.251741 ESP Fit Center 9568 is at 2.409681 -4.508890 2.251741 ESP Fit Center 9569 is at 2.816804 -4.403479 2.251741 ESP Fit Center 9570 is at 3.194375 -4.218272 2.251741 ESP Fit Center 9571 is at 3.526935 -3.960851 2.251741 ESP Fit Center 9572 is at 3.800869 -3.641756 2.251741 ESP Fit Center 9573 is at 0.618061 -4.158811 1.872589 ESP Fit Center 9574 is at 0.967313 -4.407512 1.872589 ESP Fit Center 9575 is at 1.357320 -4.585622 1.872589 ESP Fit Center 9576 is at 1.773987 -4.686705 1.872589 ESP Fit Center 9577 is at 2.202254 -4.707105 1.872589 ESP Fit Center 9578 is at 2.626642 -4.646088 1.872589 ESP Fit Center 9579 is at 3.031814 -4.505856 1.872589 ESP Fit Center 9580 is at 3.403124 -4.291480 1.872589 ESP Fit Center 9581 is at 3.727154 -4.010707 1.872589 ESP Fit Center 9582 is at 0.792878 -4.426944 1.468497 ESP Fit Center 9583 is at 1.166014 -4.627737 1.468497 ESP Fit Center 9584 is at 1.569007 -4.758677 1.468497 ESP Fit Center 9585 is at 1.988904 -4.815556 1.468497 ESP Fit Center 9586 is at 2.412209 -4.796546 1.468497 ESP Fit Center 9587 is at 2.825317 -4.702256 1.468497 ESP Fit Center 9588 is at 3.214951 -4.535719 1.468497 ESP Fit Center 9589 is at 3.568586 -4.302287 1.468497 ESP Fit Center 9590 is at 3.874857 -4.009461 1.468497 ESP Fit Center 9591 is at 0.894944 -4.532859 1.051741 ESP Fit Center 9592 is at 1.274096 -4.709660 1.051741 ESP Fit Center 9593 is at 1.678188 -4.817936 1.051741 ESP Fit Center 9594 is at 2.094944 -4.854398 1.051741 ESP Fit Center 9595 is at 2.511700 -4.817936 1.051741 ESP Fit Center 9596 is at 2.915792 -4.709660 1.051741 ESP Fit Center 9597 is at 3.294944 -4.532859 1.051741 ESP Fit Center 9598 is at 1.569007 -4.758677 0.634986 ESP Fit Center 9599 is at 1.988904 -4.815556 0.634986 ESP Fit Center 9600 is at 2.412209 -4.796546 0.634986 ESP Fit Center 9601 is at 2.825317 -4.702256 0.634986 ESP Fit Center 9602 is at 2.202254 -4.707105 0.230893 ESP Fit Center 9603 is at 5.928538 -4.049387 -1.450299 ESP Fit Center 9604 is at 5.771349 -4.039382 -1.844570 ESP Fit Center 9605 is at 6.068442 -3.752948 -1.844570 ESP Fit Center 9606 is at 6.320663 -3.426311 -1.844570 ESP Fit Center 9607 is at 5.528790 -4.021526 -2.220126 ESP Fit Center 9608 is at 5.846621 -3.750072 -2.220126 ESP Fit Center 9609 is at 6.118075 -3.432241 -2.220126 ESP Fit Center 9610 is at 6.336467 -3.075858 -2.220126 ESP Fit Center 9611 is at 6.496420 -2.689698 -2.220126 ESP Fit Center 9612 is at 2.505740 -3.837108 -2.569972 ESP Fit Center 9613 is at 5.248162 -3.953604 -2.569972 ESP Fit Center 9614 is at 5.582387 -3.706413 -2.569972 ESP Fit Center 9615 is at 5.870028 -3.406294 -2.569972 ESP Fit Center 9616 is at 2.527345 -3.523570 -2.887591 ESP Fit Center 9617 is at 2.866879 -3.765351 -2.887591 ESP Fit Center 9618 is at 3.246033 -3.938505 -2.887591 ESP Fit Center 9619 is at 3.651106 -4.036774 -2.887591 ESP Fit Center 9620 is at 4.067456 -4.056608 -2.887591 ESP Fit Center 9621 is at 4.480036 -3.997288 -2.887591 ESP Fit Center 9622 is at 4.873933 -3.860958 -2.887591 ESP Fit Center 9623 is at 5.234912 -3.652547 -2.887591 ESP Fit Center 9624 is at 2.588631 -3.168580 -3.167065 ESP Fit Center 9625 is at 2.900657 -3.433617 -3.167065 ESP Fit Center 9626 is at 3.262363 -3.625381 -3.167065 ESP Fit Center 9627 is at 3.656836 -3.734906 -3.167065 ESP Fit Center 9628 is at 4.065632 -3.757070 -3.167065 ESP Fit Center 9629 is at 4.469634 -3.690838 -3.167065 ESP Fit Center 9630 is at 2.753991 -2.850293 -3.403189 ESP Fit Center 9631 is at 3.064231 -3.140036 -3.403189 ESP Fit Center 9632 is at 3.441138 -3.335334 -3.403189 ESP Fit Center 9633 is at 3.823153 2.124268 -1.925885 ESP Fit Center 9634 is at 4.245836 1.881454 -2.342640 ESP Fit Center 9635 is at 3.903146 2.121408 -2.342640 ESP Fit Center 9636 is at 3.523994 2.298209 -2.342640 ESP Fit Center 9637 is at 3.119901 2.406486 -2.342640 ESP Fit Center 9638 is at 4.483059 1.598011 -2.759396 ESP Fit Center 9639 is at 4.176788 1.890836 -2.759396 ESP Fit Center 9640 is at 3.823153 2.124268 -2.759396 ESP Fit Center 9641 is at 3.433519 2.290806 -2.759396 ESP Fit Center 9642 is at 3.020411 2.385095 -2.759396 ESP Fit Center 9643 is at 2.597106 2.404106 -2.759396 ESP Fit Center 9644 is at 4.796859 0.881143 -3.163489 ESP Fit Center 9645 is at 4.600393 1.262234 -3.163489 ESP Fit Center 9646 is at 4.335356 1.599256 -3.163489 ESP Fit Center 9647 is at 4.011326 1.880029 -3.163489 ESP Fit Center 9648 is at 3.640016 2.094406 -3.163489 ESP Fit Center 9649 is at 3.234844 2.234637 -3.163489 ESP Fit Center 9650 is at 2.810455 2.295655 -3.163489 ESP Fit Center 9651 is at 2.382188 2.275254 -3.163489 ESP Fit Center 9652 is at 4.781607 0.042947 -3.542640 ESP Fit Center 9653 is at 4.739060 0.461338 -3.542640 ESP Fit Center 9654 is at 4.613164 0.862600 -3.542640 ESP Fit Center 9655 is at 4.409071 1.230306 -3.542640 ESP Fit Center 9656 is at 4.135137 1.549400 -3.542640 ESP Fit Center 9657 is at 3.802577 1.806821 -3.542640 ESP Fit Center 9658 is at 3.425006 1.992028 -3.542640 ESP Fit Center 9659 is at 3.017882 2.097440 -3.542640 ESP Fit Center 9660 is at 2.597873 2.118740 -3.542640 ESP Fit Center 9661 is at 2.182174 2.055057 -3.542640 ESP Fit Center 9662 is at 4.541652 0.042947 -3.885331 ESP Fit Center 9663 is at 4.492095 0.466936 -3.885331 ESP Fit Center 9664 is at 4.346095 0.868067 -3.885331 ESP Fit Center 9665 is at 4.111524 1.224716 -3.885331 ESP Fit Center 9666 is at 3.801026 1.517656 -3.885331 ESP Fit Center 9667 is at 3.431341 1.731093 -3.885331 ESP Fit Center 9668 is at 3.022399 1.853523 -3.885331 ESP Fit Center 9669 is at 2.596246 1.878343 -3.885331 ESP Fit Center 9670 is at 2.175856 1.804217 -3.885331 ESP Fit Center 9671 is at 4.492095 -0.381042 -3.885331 ESP Fit Center 9672 is at 4.245836 0.042947 -4.181147 ESP Fit Center 9673 is at 4.188629 0.459160 -4.181147 ESP Fit Center 9674 is at 4.021250 0.844504 -4.181147 ESP Fit Center 9675 is at 3.756114 1.170400 -4.181147 ESP Fit Center 9676 is at 3.412884 1.412679 -4.181147 ESP Fit Center 9677 is at 3.017015 1.553370 -4.181147 ESP Fit Center 9678 is at 2.597869 1.582041 -4.181147 ESP Fit Center 9679 is at 2.186530 1.496564 -4.181147 ESP Fit Center 9680 is at 1.813507 1.303278 -4.181147 ESP Fit Center 9681 is at 3.017015 -1.467477 -4.181147 ESP Fit Center 9682 is at 3.412884 -1.326785 -4.181147 ESP Fit Center 9683 is at 3.756114 -1.084507 -4.181147 ESP Fit Center 9684 is at 4.021250 -0.758610 -4.181147 ESP Fit Center 9685 is at 4.188629 -0.373266 -4.181147 ESP Fit Center 9686 is at 3.903146 0.042947 -4.421101 ESP Fit Center 9687 is at 3.830777 0.453371 -4.421101 ESP Fit Center 9688 is at 3.622399 0.814292 -4.421101 ESP Fit Center 9689 is at 3.303146 1.082177 -4.421101 ESP Fit Center 9690 is at 2.911524 1.224716 -4.421101 ESP Fit Center 9691 is at 2.494768 1.224716 -4.421101 ESP Fit Center 9692 is at 2.103146 1.082177 -4.421101 ESP Fit Center 9693 is at 1.783892 0.814292 -4.421101 ESP Fit Center 9694 is at 1.575515 0.453371 -4.421101 ESP Fit Center 9695 is at 2.494768 -1.138822 -4.421101 ESP Fit Center 9696 is at 2.911524 -1.138822 -4.421101 ESP Fit Center 9697 is at 3.303146 -0.996284 -4.421101 ESP Fit Center 9698 is at 3.622399 -0.728398 -4.421101 ESP Fit Center 9699 is at 3.830777 -0.367477 -4.421101 ESP Fit Center 9700 is at 3.523994 0.042947 -4.597903 ESP Fit Center 9701 is at 3.414021 0.453371 -4.597903 ESP Fit Center 9702 is at 3.113570 0.753822 -4.597903 ESP Fit Center 9703 is at 2.703146 0.863795 -4.597903 ESP Fit Center 9704 is at 2.292722 0.753822 -4.597903 ESP Fit Center 9705 is at 1.992270 0.453371 -4.597903 ESP Fit Center 9706 is at 1.882297 0.042947 -4.597903 ESP Fit Center 9707 is at 1.992270 -0.367477 -4.597903 ESP Fit Center 9708 is at 2.292722 -0.667929 -4.597903 ESP Fit Center 9709 is at 2.703146 -0.777901 -4.597903 ESP Fit Center 9710 is at 3.113570 -0.667929 -4.597903 ESP Fit Center 9711 is at 3.414021 -0.367477 -4.597903 ESP Fit Center 9712 is at 3.119901 0.042947 -4.706179 ESP Fit Center 9713 is at 2.911524 0.403868 -4.706179 ESP Fit Center 9714 is at 2.494768 0.403868 -4.706179 ESP Fit Center 9715 is at 2.286390 0.042947 -4.706179 ESP Fit Center 9716 is at 2.494768 -0.317974 -4.706179 ESP Fit Center 9717 is at 2.911524 -0.317974 -4.706179 ESP Fit Center 9718 is at 2.703146 0.042947 -4.742640 ESP Fit Center 9719 is at 1.684898 3.077159 -2.042034 ESP Fit Center 9720 is at 1.958541 2.846586 -2.458790 ESP Fit Center 9721 is at 1.604905 3.080019 -2.458790 ESP Fit Center 9722 is at 1.215272 3.246556 -2.458790 ESP Fit Center 9723 is at 2.117109 2.555007 -2.862882 ESP Fit Center 9724 is at 1.793079 2.835780 -2.862882 ESP Fit Center 9725 is at 1.421768 3.050156 -2.862882 ESP Fit Center 9726 is at 1.016597 3.190388 -2.862882 ESP Fit Center 9727 is at 0.592208 3.251405 -2.862882 ESP Fit Center 9728 is at 1.916889 2.505151 -3.242034 ESP Fit Center 9729 is at 1.584329 2.762572 -3.242034 ESP Fit Center 9730 is at 1.206759 2.947779 -3.242034 ESP Fit Center 9731 is at 0.799635 3.053190 -3.242034 ESP Fit Center 9732 is at 0.379626 3.074491 -3.242034 ESP Fit Center 9733 is at -0.036073 3.010808 -3.242034 ESP Fit Center 9734 is at -1.332397 2.007379 -3.242034 ESP Fit Center 9735 is at -1.582899 1.208972 -3.242034 ESP Fit Center 9736 is at -1.582899 0.788423 -3.242034 ESP Fit Center 9737 is at 1.893276 2.180467 -3.584724 ESP Fit Center 9738 is at 1.582778 2.473406 -3.584724 ESP Fit Center 9739 is at 1.213094 2.686844 -3.584724 ESP Fit Center 9740 is at 0.804152 2.809273 -3.584724 ESP Fit Center 9741 is at 0.377999 2.834094 -3.584724 ESP Fit Center 9742 is at -0.042391 2.759968 -3.584724 ESP Fit Center 9743 is at -0.434355 2.590891 -3.584724 ESP Fit Center 9744 is at -0.776761 2.335979 -3.584724 ESP Fit Center 9745 is at -1.051151 2.008974 -3.584724 ESP Fit Center 9746 is at -1.242733 1.627504 -3.584724 ESP Fit Center 9747 is at -1.341177 1.212135 -3.584724 ESP Fit Center 9748 is at -1.341177 0.785260 -3.584724 ESP Fit Center 9749 is at -1.242733 0.369891 -3.584724 ESP Fit Center 9750 is at 1.803003 1.800255 -3.880541 ESP Fit Center 9751 is at 1.537867 2.126151 -3.880541 ESP Fit Center 9752 is at 1.194636 2.368429 -3.880541 ESP Fit Center 9753 is at 0.798768 2.509121 -3.880541 ESP Fit Center 9754 is at 0.379622 2.537792 -3.880541 ESP Fit Center 9755 is at -0.031717 2.452314 -3.880541 ESP Fit Center 9756 is at -0.404741 2.259029 -3.880541 ESP Fit Center 9757 is at -0.711784 1.972271 -3.880541 ESP Fit Center 9758 is at -0.930075 1.613307 -3.880541 ESP Fit Center 9759 is at -1.043423 1.208761 -3.880541 ESP Fit Center 9760 is at -1.043423 0.788635 -3.880541 ESP Fit Center 9761 is at -0.930075 0.384088 -3.880541 ESP Fit Center 9762 is at 1.612530 1.409122 -4.120495 ESP Fit Center 9763 is at 1.404152 1.770043 -4.120495 ESP Fit Center 9764 is at 1.084898 2.037928 -4.120495 ESP Fit Center 9765 is at 0.693276 2.180467 -4.120495 ESP Fit Center 9766 is at 0.276521 2.180467 -4.120495 ESP Fit Center 9767 is at -0.115102 2.037928 -4.120495 ESP Fit Center 9768 is at -0.434355 1.770043 -4.120495 ESP Fit Center 9769 is at -0.642733 1.409122 -4.120495 ESP Fit Center 9770 is at -0.715102 0.998698 -4.120495 ESP Fit Center 9771 is at -0.642733 0.588273 -4.120495 ESP Fit Center 9772 is at -0.434355 0.227352 -4.120495 ESP Fit Center 9773 is at 1.305747 0.998698 -4.297296 ESP Fit Center 9774 is at 1.195774 1.409122 -4.297296 ESP Fit Center 9775 is at 0.895323 1.709573 -4.297296 ESP Fit Center 9776 is at 0.484898 1.819546 -4.297296 ESP Fit Center 9777 is at 0.074474 1.709573 -4.297296 ESP Fit Center 9778 is at -0.225977 1.409122 -4.297296 ESP Fit Center 9779 is at -0.335950 0.998698 -4.297296 ESP Fit Center 9780 is at -0.225977 0.588273 -4.297296 ESP Fit Center 9781 is at 0.074474 0.287822 -4.297296 ESP Fit Center 9782 is at 0.901654 0.998698 -4.405573 ESP Fit Center 9783 is at 0.693276 1.359619 -4.405573 ESP Fit Center 9784 is at 0.276521 1.359619 -4.405573 ESP Fit Center 9785 is at 0.068143 0.998698 -4.405573 ESP Fit Center 9786 is at 0.276521 0.637777 -4.405573 ESP Fit Center 9787 is at 0.693276 0.637777 -4.405573 ESP Fit Center 9788 is at 0.484898 0.998698 -4.442034 ESP Fit Center 9789 is at 6.223725 -2.794568 2.502161 ESP Fit Center 9790 is at 6.505266 -2.497349 2.502161 ESP Fit Center 9791 is at 6.716332 -2.146555 2.502161 ESP Fit Center 9792 is at 5.908853 -3.345969 2.222687 ESP Fit Center 9793 is at 6.269831 -3.137558 2.222687 ESP Fit Center 9794 is at 6.584844 -2.864598 2.222687 ESP Fit Center 9795 is at 6.842507 -2.536953 2.222687 ESP Fit Center 9796 is at 7.033506 -2.166467 2.222687 ESP Fit Center 9797 is at 5.102071 -3.800295 1.905068 ESP Fit Center 9798 is at 5.514408 -3.747494 1.905068 ESP Fit Center 9799 is at 5.911889 -3.625766 1.905068 ESP Fit Center 9800 is at 6.283082 -3.438615 1.905068 ESP Fit Center 9801 is at 4.174937 -3.884881 1.555222 ESP Fit Center 9802 is at 4.581364 -3.982456 1.555222 ESP Fit Center 9803 is at 4.998052 -4.015250 1.555222 ESP Fit Center 9804 is at 5.414739 -3.982456 1.555222 ESP Fit Center 9805 is at 5.821167 -3.884881 1.555222 ESP Fit Center 9806 is at 4.894812 -4.176491 1.179666 ESP Fit Center 9807 is at 5.307221 -4.161419 1.179666 ESP Fit Center 9808 is at 5.713040 -4.086460 1.179666 ESP Fit Center 9809 is at 5.508100 -4.244223 0.785395 ESP Fit Center 9810 is at 6.847052 -1.758590 -2.152107 ESP Fit Center 9811 is at 3.447119 0.340031 2.365533 ESP Fit Center 9812 is at 4.506169 2.668620 -1.341796 ESP Fit Center 9813 is at 7.702619 -1.073942 -1.341796 ESP Fit Center 9814 is at 7.862571 -0.687782 -1.341796 ESP Fit Center 9815 is at 5.017975 2.566391 -1.691642 ESP Fit Center 9816 is at 4.611602 2.478811 -1.691642 ESP Fit Center 9817 is at 4.225875 2.323813 -1.691642 ESP Fit Center 9818 is at 4.233030 2.034100 -2.009260 ESP Fit Center 9819 is at 4.109902 -4.129809 1.327696 ESP Fit Center 9820 is at 3.796247 -4.487133 1.087741 ESP Fit Center 9821 is at 4.215393 -4.458463 1.087741 ESP Fit Center 9822 is at 4.611262 -4.317771 1.087741 ESP Fit Center 9823 is at 3.374234 -4.709309 0.791925 ESP Fit Center 9824 is at 3.794624 -4.783436 0.791925 ESP Fit Center 9825 is at 4.220777 -4.758615 0.791925 ESP Fit Center 9826 is at 4.629719 -4.636186 0.791925 ESP Fit Center 9827 is at 4.999404 -4.422748 0.791925 ESP Fit Center 9828 is at 2.986182 -4.814091 0.449235 ESP Fit Center 9829 is at 3.380552 -4.960150 0.449235 ESP Fit Center 9830 is at 3.796251 -5.023833 0.449235 ESP Fit Center 9831 is at 4.216261 -5.002532 0.449235 ESP Fit Center 9832 is at 4.623384 -4.897121 0.449235 ESP Fit Center 9833 is at 5.000955 -4.711913 0.449235 ESP Fit Center 9834 is at 5.333515 -4.454493 0.449235 ESP Fit Center 9835 is at 2.424641 -4.652453 0.070083 ESP Fit Center 9836 is at 2.773893 -4.901154 0.070083 ESP Fit Center 9837 is at 3.163900 -5.079264 0.070083 ESP Fit Center 9838 is at 3.580567 -5.180346 0.070083 ESP Fit Center 9839 is at 4.008834 -5.200747 0.070083 ESP Fit Center 9840 is at 4.433222 -5.139729 0.070083 ESP Fit Center 9841 is at 4.838394 -4.999498 0.070083 ESP Fit Center 9842 is at 5.209704 -4.785122 0.070083 ESP Fit Center 9843 is at 5.533734 -4.504348 0.070083 ESP Fit Center 9844 is at 2.268171 -4.656393 -0.334010 ESP Fit Center 9845 is at 2.599458 -4.920585 -0.334010 ESP Fit Center 9846 is at 2.972594 -5.121379 -0.334010 ESP Fit Center 9847 is at 3.375587 -5.252319 -0.334010 ESP Fit Center 9848 is at 3.795484 -5.309198 -0.334010 ESP Fit Center 9849 is at 4.218789 -5.290187 -0.334010 ESP Fit Center 9850 is at 4.631897 -5.195898 -0.334010 ESP Fit Center 9851 is at 5.021531 -5.029361 -0.334010 ESP Fit Center 9852 is at 5.375166 -4.795928 -0.334010 ESP Fit Center 9853 is at 5.681437 -4.503103 -0.334010 ESP Fit Center 9854 is at 2.063017 -4.490730 -0.750765 ESP Fit Center 9855 is at 2.358834 -4.786546 -0.750765 ESP Fit Center 9856 is at 2.701524 -5.026500 -0.750765 ESP Fit Center 9857 is at 3.080675 -5.203302 -0.750765 ESP Fit Center 9858 is at 3.484768 -5.311578 -0.750765 ESP Fit Center 9859 is at 3.901524 -5.348039 -0.750765 ESP Fit Center 9860 is at 4.318279 -5.311578 -0.750765 ESP Fit Center 9861 is at 4.722372 -5.203302 -0.750765 ESP Fit Center 9862 is at 5.101524 -5.026500 -0.750765 ESP Fit Center 9863 is at 5.444214 -4.786546 -0.750765 ESP Fit Center 9864 is at 5.740030 -4.490730 -0.750765 ESP Fit Center 9865 is at 1.989381 -4.337292 -1.167521 ESP Fit Center 9866 is at 2.268171 -4.656393 -1.167521 ESP Fit Center 9867 is at 2.599458 -4.920585 -1.167521 ESP Fit Center 9868 is at 2.972594 -5.121379 -1.167521 ESP Fit Center 9869 is at 3.375587 -5.252319 -1.167521 ESP Fit Center 9870 is at 3.795484 -5.309198 -1.167521 ESP Fit Center 9871 is at 4.218789 -5.290187 -1.167521 ESP Fit Center 9872 is at 4.631897 -5.195898 -1.167521 ESP Fit Center 9873 is at 5.021531 -5.029361 -1.167521 ESP Fit Center 9874 is at 5.375166 -4.795928 -1.167521 ESP Fit Center 9875 is at 5.681437 -4.503103 -1.167521 ESP Fit Center 9876 is at 5.930501 -4.160297 -1.167521 ESP Fit Center 9877 is at 2.128768 -4.342150 -1.571614 ESP Fit Center 9878 is at 2.424641 -4.652453 -1.571614 ESP Fit Center 9879 is at 2.773893 -4.901154 -1.571614 ESP Fit Center 9880 is at 3.163900 -5.079264 -1.571614 ESP Fit Center 9881 is at 3.580567 -5.180346 -1.571614 ESP Fit Center 9882 is at 4.008834 -5.200747 -1.571614 ESP Fit Center 9883 is at 4.433222 -5.139729 -1.571614 ESP Fit Center 9884 is at 4.838394 -4.999498 -1.571614 ESP Fit Center 9885 is at 5.209704 -4.785122 -1.571614 ESP Fit Center 9886 is at 5.533734 -4.504348 -1.571614 ESP Fit Center 9887 is at 5.798771 -4.167326 -1.571614 ESP Fit Center 9888 is at 2.084228 -3.956720 -1.950765 ESP Fit Center 9889 is at 2.324475 -4.301892 -1.950765 ESP Fit Center 9890 is at 2.629285 -4.591636 -1.950765 ESP Fit Center 9891 is at 2.986182 -4.814091 -1.950765 ESP Fit Center 9892 is at 3.380552 -4.960150 -1.950765 ESP Fit Center 9893 is at 3.796251 -5.023833 -1.950765 ESP Fit Center 9894 is at 4.216261 -5.002532 -1.950765 ESP Fit Center 9895 is at 4.623384 -4.897121 -1.950765 ESP Fit Center 9896 is at 5.000955 -4.711913 -1.950765 ESP Fit Center 9897 is at 5.333515 -4.454493 -1.950765 ESP Fit Center 9898 is at 5.607449 -4.135398 -1.950765 ESP Fit Center 9899 is at 2.365474 -3.958315 -2.293455 ESP Fit Center 9900 is at 2.639864 -4.285321 -2.293455 ESP Fit Center 9901 is at 2.982270 -4.540233 -2.293455 ESP Fit Center 9902 is at 3.374234 -4.709309 -2.293455 ESP Fit Center 9903 is at 3.794624 -4.783436 -2.293455 ESP Fit Center 9904 is at 4.220777 -4.758615 -2.293455 ESP Fit Center 9905 is at 4.629719 -4.636186 -2.293455 ESP Fit Center 9906 is at 4.999404 -4.422748 -2.293455 ESP Fit Center 9907 is at 5.309902 -4.129809 -2.293455 ESP Fit Center 9908 is at 3.011885 -4.208371 -2.589272 ESP Fit Center 9909 is at 3.384908 -4.401656 -2.589272 ESP Fit Center 9910 is at 3.796247 -4.487133 -2.589272 ESP Fit Center 9911 is at 4.215393 -4.458463 -2.589272 ESP Fit Center 9912 is at 4.611262 -4.317771 -2.589272 ESP Fit Center 9913 is at 3.693146 -4.129809 -2.829226 ESP Fit Center 9914 is at 4.109902 -4.129809 -2.829226 ESP Fit Center 9915 is at 6.532168 -2.492925 -2.262504 ESP Fit Center 9916 is at 6.644896 -2.084463 -2.262504 ESP Fit Center 9917 is at 6.574603 -1.662437 -2.666596 ESP Fit Center 9918 is at 6.533848 -1.235626 -2.666596 ESP Fit Center 9919 is at 5.951551 -3.218746 -2.666596 ESP Fit Center 9920 is at 6.216588 -2.881724 -2.666596 ESP Fit Center 9921 is at 6.413054 -2.500633 -2.666596 ESP Fit Center 9922 is at 6.533848 -2.089248 -2.666596 ESP Fit Center 9923 is at 6.397802 -1.662437 -3.045748 ESP Fit Center 9924 is at 6.355256 -1.244046 -3.045748 ESP Fit Center 9925 is at 6.229359 -0.842784 -3.045748 ESP Fit Center 9926 is at 5.041201 -3.611518 -3.045748 ESP Fit Center 9927 is at 5.418772 -3.426311 -3.045748 ESP Fit Center 9928 is at 5.751332 -3.168891 -3.045748 ESP Fit Center 9929 is at 6.025266 -2.849796 -3.045748 ESP Fit Center 9930 is at 6.229359 -2.482090 -3.045748 ESP Fit Center 9931 is at 6.355256 -2.080828 -3.045748 ESP Fit Center 9932 is at 6.157848 -1.662437 -3.388438 ESP Fit Center 9933 is at 6.108290 -1.238448 -3.388438 ESP Fit Center 9934 is at 5.962290 -0.837317 -3.388438 ESP Fit Center 9935 is at 5.727719 -0.480668 -3.388438 ESP Fit Center 9936 is at 5.417221 -0.187728 -3.388438 ESP Fit Center 9937 is at 5.047536 0.025709 -3.388438 ESP Fit Center 9938 is at 4.212441 -3.497833 -3.388438 ESP Fit Center 9939 is at 4.638594 -3.473013 -3.388438 ESP Fit Center 9940 is at 5.047536 -3.350584 -3.388438 ESP Fit Center 9941 is at 5.417221 -3.137146 -3.388438 ESP Fit Center 9942 is at 5.727719 -2.844206 -3.388438 ESP Fit Center 9943 is at 5.962290 -2.487557 -3.388438 ESP Fit Center 9944 is at 6.108290 -2.086426 -3.388438 ESP Fit Center 9945 is at 5.862031 -1.662437 -3.684255 ESP Fit Center 9946 is at 5.804824 -1.246224 -3.684255 ESP Fit Center 9947 is at 5.637445 -0.860880 -3.684255 ESP Fit Center 9948 is at 5.372309 -0.534984 -3.684255 ESP Fit Center 9949 is at 5.029079 -0.292705 -3.684255 ESP Fit Center 9950 is at 2.904368 -2.277047 -3.684255 ESP Fit Center 9951 is at 3.122659 -2.636010 -3.684255 ESP Fit Center 9952 is at 3.429702 -2.922769 -3.684255 ESP Fit Center 9953 is at 3.802725 -3.116054 -3.684255 ESP Fit Center 9954 is at 4.214064 -3.201531 -3.684255 ESP Fit Center 9955 is at 4.633210 -3.172861 -3.684255 ESP Fit Center 9956 is at 5.029079 -3.032169 -3.684255 ESP Fit Center 9957 is at 5.372309 -2.789891 -3.684255 ESP Fit Center 9958 is at 5.637445 -2.463994 -3.684255 ESP Fit Center 9959 is at 5.804824 -2.078650 -3.684255 ESP Fit Center 9960 is at 5.519341 -1.662437 -3.924209 ESP Fit Center 9961 is at 5.446972 -1.252013 -3.924209 ESP Fit Center 9962 is at 5.238594 -0.891092 -3.924209 ESP Fit Center 9963 is at 4.919341 -0.623207 -3.924209 ESP Fit Center 9964 is at 4.527719 -0.480668 -3.924209 ESP Fit Center 9965 is at 3.191710 -2.072861 -3.924209 ESP Fit Center 9966 is at 3.400088 -2.433782 -3.924209 ESP Fit Center 9967 is at 3.719341 -2.701668 -3.924209 ESP Fit Center 9968 is at 4.110963 -2.844206 -3.924209 ESP Fit Center 9969 is at 4.527719 -2.844206 -3.924209 ESP Fit Center 9970 is at 4.919341 -2.701668 -3.924209 ESP Fit Center 9971 is at 5.238594 -2.433782 -3.924209 ESP Fit Center 9972 is at 5.446972 -2.072861 -3.924209 ESP Fit Center 9973 is at 5.140189 -1.662437 -4.101010 ESP Fit Center 9974 is at 5.030216 -1.252013 -4.101010 ESP Fit Center 9975 is at 4.729765 -0.951562 -4.101010 ESP Fit Center 9976 is at 4.319341 -0.841589 -4.101010 ESP Fit Center 9977 is at 3.498492 -1.662437 -4.101010 ESP Fit Center 9978 is at 3.608465 -2.072861 -4.101010 ESP Fit Center 9979 is at 3.908917 -2.373313 -4.101010 ESP Fit Center 9980 is at 4.319341 -2.483285 -4.101010 ESP Fit Center 9981 is at 4.729765 -2.373313 -4.101010 ESP Fit Center 9982 is at 5.030216 -2.072861 -4.101010 ESP Fit Center 9983 is at 4.736096 -1.662437 -4.209287 ESP Fit Center 9984 is at 4.527719 -1.301516 -4.209287 ESP Fit Center 9985 is at 4.110963 -1.301516 -4.209287 ESP Fit Center 9986 is at 3.902585 -1.662437 -4.209287 ESP Fit Center 9987 is at 4.110963 -2.023358 -4.209287 ESP Fit Center 9988 is at 4.527719 -2.023358 -4.209287 ESP Fit Center 9989 is at 4.319341 -1.662437 -4.245748 ESP Fit Center 9990 is at 4.641577 -1.551953 3.582944 ESP Fit Center 9991 is at 5.058333 -1.551953 3.546483 ESP Fit Center 9992 is at 4.849955 -1.191033 3.546483 ESP Fit Center 9993 is at 4.433199 -1.191033 3.546483 ESP Fit Center 9994 is at 4.224821 -1.551953 3.546483 ESP Fit Center 9995 is at 4.433199 -1.912874 3.546483 ESP Fit Center 9996 is at 4.849955 -1.912874 3.546483 ESP Fit Center 9997 is at 5.462425 -1.551953 3.438206 ESP Fit Center 9998 is at 4.231153 -0.841078 3.438206 ESP Fit Center 9999 is at 3.930702 -1.141529 3.438206 ESP Fit Center **** is at 3.820729 -1.551953 3.438206 ESP Fit Center **** is at 3.930702 -1.962378 3.438206 ESP Fit Center **** is at 4.231153 -2.262829 3.438206 ESP Fit Center **** is at 4.641577 -2.372802 3.438206 ESP Fit Center **** is at 5.052001 -2.262829 3.438206 ESP Fit Center **** is at 5.352453 -1.962378 3.438206 ESP Fit Center **** is at 4.041577 -0.512723 3.261405 ESP Fit Center **** is at 3.722324 -0.780608 3.261405 ESP Fit Center **** is at 3.513946 -1.141529 3.261405 ESP Fit Center **** is at 3.441577 -1.551953 3.261405 ESP Fit Center **** is at 3.513946 -1.962378 3.261405 ESP Fit Center **** is at 3.722324 -2.323299 3.261405 ESP Fit Center **** is at 4.041577 -2.591184 3.261405 ESP Fit Center **** is at 4.433199 -2.733723 3.261405 ESP Fit Center **** is at 4.849955 -2.733723 3.261405 ESP Fit Center **** is at 5.241577 -2.591184 3.261405 ESP Fit Center **** is at 5.560830 -2.323299 3.261405 ESP Fit Center **** is at 5.769208 -1.962378 3.261405 ESP Fit Center **** is at 3.751938 -0.291622 3.021451 ESP Fit Center **** is at 3.444895 -0.578380 3.021451 ESP Fit Center **** is at 3.226604 -0.937344 3.021451 ESP Fit Center **** is at 3.113256 -1.341891 3.021451 ESP Fit Center **** is at 3.751938 -2.812285 3.021451 ESP Fit Center **** is at 4.124962 -3.005570 3.021451 ESP Fit Center **** is at 4.536300 -3.091047 3.021451 ESP Fit Center **** is at 4.955447 -3.062377 3.021451 ESP Fit Center **** is at 5.351315 -2.921685 3.021451 ESP Fit Center **** is at 5.694545 -2.679407 3.021451 ESP Fit Center **** is at 5.959682 -2.353511 3.021451 ESP Fit Center **** is at 6.127060 -1.968166 3.021451 ESP Fit Center **** is at 3.722324 0.040240 2.725634 ESP Fit Center **** is at 3.379917 -0.214672 2.725634 ESP Fit Center **** is at 3.722324 -3.144147 2.725634 ESP Fit Center **** is at 4.114287 -3.313224 2.725634 ESP Fit Center **** is at 4.534677 -3.387350 2.725634 ESP Fit Center **** is at 4.960830 -3.362529 2.725634 ESP Fit Center **** is at 5.369772 -3.240100 2.725634 ESP Fit Center **** is at 5.739457 -3.026662 2.725634 ESP Fit Center **** is at 6.049955 -2.733723 2.725634 ESP Fit Center **** is at 6.284527 -2.377074 2.725634 ESP Fit Center **** is at 3.369339 0.091643 2.382944 ESP Fit Center **** is at 4.120606 -3.564064 2.382944 ESP Fit Center **** is at 4.536305 -3.627747 2.382944 ESP Fit Center **** is at 4.956314 -3.606446 2.382944 ESP Fit Center **** is at 5.363438 -3.501035 2.382944 ESP Fit Center **** is at 5.741008 -3.315827 2.382944 ESP Fit Center **** is at 4.320620 -3.784260 2.003792 ESP Fit Center **** is at 4.748887 -3.804661 2.003792 ESP Fit Center **** is at 5.173275 -3.743643 2.003792 ESP Fit Center **** is at 4.115640 -3.856233 1.599700 ESP Fit Center **** is at 6.829376 -2.703568 2.130536 ESP Fit Center **** is at 6.619861 -3.301954 1.890582 ESP Fit Center **** is at 6.963091 -3.059676 1.890582 ESP Fit Center **** is at 7.228228 -2.733780 1.890582 ESP Fit Center **** is at 7.395606 -2.348435 1.890582 ESP Fit Center **** is at 6.229376 -3.742798 1.594766 ESP Fit Center **** is at 6.638318 -3.620369 1.594766 ESP Fit Center **** is at 7.008003 -3.406931 1.594766 ESP Fit Center **** is at 7.318501 -3.113992 1.594766 ESP Fit Center **** is at 7.553073 -2.757343 1.594766 ESP Fit Center **** is at 7.699073 -2.356211 1.594766 ESP Fit Center **** is at 6.224860 -3.986715 1.252075 ESP Fit Center **** is at 6.631983 -3.881304 1.252075 ESP Fit Center **** is at 7.009554 -3.696097 1.252075 ESP Fit Center **** is at 7.342114 -3.438676 1.252075 ESP Fit Center **** is at 7.616048 -3.119581 1.252075 ESP Fit Center **** is at 7.820141 -2.751876 1.252075 ESP Fit Center **** is at 7.946038 -2.350614 1.252075 ESP Fit Center **** is at 6.017433 -4.184930 0.872924 ESP Fit Center **** is at 6.441821 -4.123913 0.872924 ESP Fit Center **** is at 6.846993 -3.983681 0.872924 ESP Fit Center **** is at 7.218304 -3.769305 0.872924 ESP Fit Center **** is at 7.542333 -3.488532 0.872924 ESP Fit Center **** is at 7.807370 -3.151509 0.872924 ESP Fit Center **** is at 8.003836 -2.770419 0.872924 ESP Fit Center **** is at 8.124630 -2.359034 0.872924 ESP Fit Center **** is at 5.804083 -4.293381 0.468831 ESP Fit Center **** is at 6.227389 -4.274371 0.468831 ESP Fit Center **** is at 6.640497 -4.180081 0.468831 ESP Fit Center **** is at 7.030130 -4.013544 0.468831 ESP Fit Center **** is at 7.383765 -3.780111 0.468831 ESP Fit Center **** is at 7.690037 -3.487286 0.468831 ESP Fit Center **** is at 7.939100 -3.144480 0.468831 ESP Fit Center **** is at 8.122950 -2.762711 0.468831 ESP Fit Center **** is at 8.235679 -2.354249 0.468831 ESP Fit Center **** is at 5.910123 -4.332223 0.052075 ESP Fit Center **** is at 6.326879 -4.295761 0.052075 ESP Fit Center **** is at 6.730971 -4.187485 0.052075 ESP Fit Center **** is at 7.110123 -4.010684 0.052075 ESP Fit Center **** is at 7.452813 -3.770729 0.052075 ESP Fit Center **** is at 7.748630 -3.474913 0.052075 ESP Fit Center **** is at 7.988584 -3.132223 0.052075 ESP Fit Center **** is at 8.165385 -2.753071 0.052075 ESP Fit Center **** is at 8.273662 -2.348978 0.052075 ESP Fit Center **** is at 8.273662 -1.932223 -0.364680 ESP Fit Center **** is at 6.227389 -4.274371 -0.364680 ESP Fit Center **** is at 6.640497 -4.180081 -0.364680 ESP Fit Center **** is at 7.030130 -4.013544 -0.364680 ESP Fit Center **** is at 7.383765 -3.780111 -0.364680 ESP Fit Center **** is at 7.690037 -3.487286 -0.364680 ESP Fit Center **** is at 7.939100 -3.144480 -0.364680 ESP Fit Center **** is at 8.122950 -2.762711 -0.364680 ESP Fit Center **** is at 8.235679 -2.354249 -0.364680 ESP Fit Center **** is at 8.165385 -1.932223 -0.768773 ESP Fit Center **** is at 8.124630 -1.505411 -0.768773 ESP Fit Center **** is at 6.017433 -4.184930 -0.768773 ESP Fit Center **** is at 6.441821 -4.123913 -0.768773 ESP Fit Center **** is at 6.846993 -3.983681 -0.768773 ESP Fit Center **** is at 7.218304 -3.769305 -0.768773 ESP Fit Center **** is at 7.542333 -3.488532 -0.768773 ESP Fit Center **** is at 7.807370 -3.151509 -0.768773 ESP Fit Center **** is at 8.003836 -2.770419 -0.768773 ESP Fit Center **** is at 8.124630 -2.359034 -0.768773 ESP Fit Center **** is at 7.988584 -1.932223 -1.147925 ESP Fit Center **** is at 7.946038 -1.513831 -1.147925 ESP Fit Center **** is at 7.820141 -1.112569 -1.147925 ESP Fit Center **** is at 6.224860 -3.986715 -1.147925 ESP Fit Center **** is at 6.631983 -3.881304 -1.147925 ESP Fit Center **** is at 7.009554 -3.696097 -1.147925 ESP Fit Center **** is at 7.342114 -3.438676 -1.147925 ESP Fit Center **** is at 7.616048 -3.119581 -1.147925 ESP Fit Center **** is at 7.820141 -2.751876 -1.147925 ESP Fit Center **** is at 7.946038 -2.350614 -1.147925 ESP Fit Center **** is at 7.748630 -1.932223 -1.490615 ESP Fit Center **** is at 7.699073 -1.508234 -1.490615 ESP Fit Center **** is at 6.229376 -3.742798 -1.490615 ESP Fit Center **** is at 6.638318 -3.620369 -1.490615 ESP Fit Center **** is at 7.008003 -3.406931 -1.490615 ESP Fit Center **** is at 7.318501 -3.113992 -1.490615 ESP Fit Center **** is at 7.553073 -2.757343 -1.490615 ESP Fit Center **** is at 7.699073 -2.356211 -1.490615 ESP Fit Center **** is at 7.452813 -1.932223 -1.786431 ESP Fit Center **** is at 7.395606 -1.516010 -1.786431 ESP Fit Center **** is at 6.619861 -3.301954 -1.786431 ESP Fit Center **** is at 6.963091 -3.059676 -1.786431 ESP Fit Center **** is at 7.228228 -2.733780 -1.786431 ESP Fit Center **** is at 7.395606 -2.348435 -1.786431 ESP Fit Center **** is at 7.110123 -1.932223 -2.026386 ESP Fit Center **** is at 7.037754 -1.521798 -2.026386 ESP Fit Center **** is at 6.510123 -2.971453 -2.026386 ESP Fit Center **** is at 6.829376 -2.703568 -2.026386 ESP Fit Center **** is at 7.037754 -2.342647 -2.026386 ESP Fit Center **** is at 6.620999 -2.342647 -2.203187 ESP Fit Center **** is at 7.944191 0.605008 3.604132 ESP Fit Center **** is at 7.886389 1.025554 3.604132 ESP Fit Center **** is at 7.886389 0.184461 3.604132 ESP Fit Center **** is at 8.278703 0.605008 3.368008 ESP Fit Center **** is at 7.611112 -0.837966 3.368008 ESP Fit Center **** is at 7.892654 -0.540747 3.368008 ESP Fit Center **** is at 8.103719 -0.189953 3.368008 ESP Fit Center **** is at 8.234440 0.198012 3.368008 ESP Fit Center **** is at 8.577947 0.605008 3.088534 ESP Fit Center **** is at 7.296240 -1.389368 3.088534 ESP Fit Center **** is at 7.657219 -1.180957 3.088534 ESP Fit Center **** is at 7.972232 -0.907996 3.088534 ESP Fit Center **** is at 8.229894 -0.580352 3.088534 ESP Fit Center **** is at 8.420893 -0.209865 3.088534 ESP Fit Center **** is at 8.538326 0.190073 3.088534 ESP Fit Center **** is at 8.836349 0.605008 2.770915 ESP Fit Center **** is at 6.489459 -1.843694 2.770915 ESP Fit Center **** is at 6.901795 -1.790892 2.770915 ESP Fit Center **** is at 7.299277 -1.669165 2.770915 ESP Fit Center **** is at 7.670469 -1.482013 2.770915 ESP Fit Center **** is at 4.012105 1.814282 2.421069 ESP Fit Center **** is at 3.852152 1.428123 2.421069 ESP Fit Center **** is at 7.208554 -1.928279 2.421069 ESP Fit Center **** is at 8.234440 0.198012 -1.286260 ESP Fit Center **** is at 3.715471 1.136125 2.422168 ESP Fit Center **** is at 3.605498 0.725701 2.422168 ESP Fit Center **** is at 3.826346 1.764931 2.245367 ESP Fit Center **** is at 3.507093 1.497046 2.245367 ESP Fit Center **** is at 3.298715 1.136125 2.245367 ESP Fit Center **** is at 3.226346 0.725701 2.245367 ESP Fit Center **** is at 3.298715 0.315276 2.245367 ESP Fit Center **** is at 3.536707 1.986032 2.005413 ESP Fit Center **** is at 3.229664 1.699274 2.005413 ESP Fit Center **** is at 3.011373 1.340310 2.005413 ESP Fit Center **** is at 2.898025 0.935764 2.005413 ESP Fit Center **** is at 3.507093 2.317894 1.709596 ESP Fit Center **** is at 3.164686 2.062982 1.709596 ESP Fit Center **** is at 2.890296 1.735977 1.709596 ESP Fit Center **** is at 2.698715 1.354507 1.709596 ESP Fit Center **** is at 2.600271 0.939138 1.709596 ESP Fit Center **** is at 3.154108 2.369297 1.366906 ESP Fit Center **** is at 2.849297 2.079553 1.366906 ESP Fit Center **** is at 2.609051 1.734382 1.366906 ESP Fit Center **** is at 2.443205 1.347915 1.366906 ESP Fit Center **** is at 3.298715 2.678815 0.987754 ESP Fit Center **** is at 2.949463 2.430114 0.987754 ESP Fit Center **** is at 2.653590 2.119811 0.987754 ESP Fit Center **** is at 2.421789 1.759122 0.987754 ESP Fit Center **** is at 3.124280 2.698247 0.583662 ESP Fit Center **** is at 2.792993 2.434054 0.583662 ESP Fit Center **** is at 2.514203 2.114954 0.583662 ESP Fit Center **** is at 3.605498 2.980963 0.166906 ESP Fit Center **** is at 3.226346 2.804162 0.166906 ESP Fit Center **** is at 2.883656 2.564207 0.166906 ESP Fit Center **** is at 2.587839 2.268391 0.166906 ESP Fit Center **** is at 3.497416 2.899040 -0.249850 ESP Fit Center **** is at 3.124280 2.698247 -0.249850 ESP Fit Center **** is at 2.792993 2.434054 -0.249850 ESP Fit Center **** is at 4.105389 2.958008 -0.653942 ESP Fit Center **** is at 3.688722 2.856925 -0.653942 ESP Fit Center **** is at 3.298715 2.678815 -0.653942 ESP Fit Center **** is at 4.321074 2.801494 -1.033094 ESP Fit Center **** is at 3.905375 2.737811 -1.033094 ESP Fit Center **** is at 3.511004 2.591752 -1.033094 ESP Fit Center **** is at 3.899056 2.486971 -1.375784 ESP Fit Center **** is at 3.909731 2.179317 -1.671601 ESP Fit Center **** is at 7.896323 -0.498291 -1.389590 ESP Fit Center **** is at 8.009051 -0.089829 -1.389590 ESP Fit Center **** is at 7.938758 0.332197 -1.793683 ESP Fit Center **** is at 7.898003 0.759008 -1.793683 ESP Fit Center **** is at 5.362538 2.564504 -1.793683 ESP Fit Center **** is at 7.315706 -1.224112 -1.793683 ESP Fit Center **** is at 7.580743 -0.887090 -1.793683 ESP Fit Center **** is at 7.777209 -0.505999 -1.793683 ESP Fit Center **** is at 7.898003 -0.094614 -1.793683 ESP Fit Center **** is at 7.761957 0.332197 -2.172835 ESP Fit Center **** is at 7.719411 0.750588 -2.172835 ESP Fit Center **** is at 7.593514 1.151850 -2.172835 ESP Fit Center **** is at 5.578223 2.407990 -2.172835 ESP Fit Center **** is at 5.162524 2.344307 -2.172835 ESP Fit Center **** is at 4.768154 2.198249 -2.172835 ESP Fit Center **** is at 4.411257 1.975793 -2.172835 ESP Fit Center **** is at 7.115487 -1.174257 -2.172835 ESP Fit Center **** is at 7.389421 -0.855162 -2.172835 ESP Fit Center **** is at 7.593514 -0.487456 -2.172835 ESP Fit Center **** is at 7.719411 -0.086194 -2.172835 ESP Fit Center **** is at 7.522002 0.332197 -2.515525 ESP Fit Center **** is at 7.472445 0.756186 -2.515525 ESP Fit Center **** is at 7.326445 1.157317 -2.515525 ESP Fit Center **** is at 7.091874 1.513966 -2.515525 ESP Fit Center **** is at 6.781376 1.806906 -2.515525 ESP Fit Center **** is at 6.411691 2.020343 -2.515525 ESP Fit Center **** is at 6.002749 2.142772 -2.515525 ESP Fit Center **** is at 5.576596 2.167593 -2.515525 ESP Fit Center **** is at 5.156206 2.093467 -2.515525 ESP Fit Center **** is at 4.764242 1.924390 -2.515525 ESP Fit Center **** is at 6.781376 -1.142512 -2.515525 ESP Fit Center **** is at 7.091874 -0.849572 -2.515525 ESP Fit Center **** is at 7.326445 -0.492923 -2.515525 ESP Fit Center **** is at 7.472445 -0.091792 -2.515525 ESP Fit Center **** is at 7.226186 0.332197 -2.811341 ESP Fit Center **** is at 7.168979 0.748410 -2.811341 ESP Fit Center **** is at 7.001600 1.133754 -2.811341 ESP Fit Center **** is at 6.736464 1.459650 -2.811341 ESP Fit Center **** is at 6.393234 1.701929 -2.811341 ESP Fit Center **** is at 5.997365 1.842620 -2.811341 ESP Fit Center **** is at 5.578219 1.871291 -2.811341 ESP Fit Center **** is at 5.166880 1.785814 -2.811341 ESP Fit Center **** is at 4.793857 1.592528 -2.811341 ESP Fit Center **** is at 6.736464 -0.795257 -2.811341 ESP Fit Center **** is at 7.001600 -0.469360 -2.811341 ESP Fit Center **** is at 7.168979 -0.084016 -2.811341 ESP Fit Center **** is at 6.883496 0.332197 -3.051296 ESP Fit Center **** is at 6.811127 0.742621 -3.051296 ESP Fit Center **** is at 6.602749 1.103542 -3.051296 ESP Fit Center **** is at 6.283496 1.371427 -3.051296 ESP Fit Center **** is at 5.891874 1.513966 -3.051296 ESP Fit Center **** is at 5.475118 1.513966 -3.051296 ESP Fit Center **** is at 5.083496 1.371427 -3.051296 ESP Fit Center **** is at 4.764242 1.103542 -3.051296 ESP Fit Center **** is at 6.283496 -0.707034 -3.051296 ESP Fit Center **** is at 6.602749 -0.439148 -3.051296 ESP Fit Center **** is at 6.811127 -0.078227 -3.051296 ESP Fit Center **** is at 6.504344 0.332197 -3.228097 ESP Fit Center **** is at 6.394371 0.742621 -3.228097 ESP Fit Center **** is at 6.093920 1.043072 -3.228097 ESP Fit Center **** is at 5.683496 1.153045 -3.228097 ESP Fit Center **** is at 5.273072 1.043072 -3.228097 ESP Fit Center **** is at 4.972620 0.742621 -3.228097 ESP Fit Center **** is at 6.093920 -0.378679 -3.228097 ESP Fit Center **** is at 6.394371 -0.078227 -3.228097 ESP Fit Center **** is at 6.100251 0.332197 -3.336373 ESP Fit Center **** is at 5.891874 0.693118 -3.336373 ESP Fit Center **** is at 5.475118 0.693118 -3.336373 ESP Fit Center **** is at 5.266740 0.332197 -3.336373 ESP Fit Center **** is at 5.475118 -0.028724 -3.336373 ESP Fit Center **** is at 5.891874 -0.028724 -3.336373 ESP Fit Center **** is at 5.683496 0.332197 -3.372835 ESP Fit Center **** is at 8.834930 0.016907 2.752673 ESP Fit Center **** is at 8.001978 -1.352825 2.752673 ESP Fit Center **** is at 8.345208 -1.110547 2.752673 ESP Fit Center **** is at 8.610344 -0.784650 2.752673 ESP Fit Center **** is at 8.777723 -0.399306 2.752673 ESP Fit Center **** is at 9.130746 0.016907 2.456857 ESP Fit Center **** is at 9.081189 0.440896 2.456857 ESP Fit Center **** is at 7.611493 -1.793669 2.456857 ESP Fit Center **** is at 8.020435 -1.671240 2.456857 ESP Fit Center **** is at 8.390120 -1.457802 2.456857 ESP Fit Center **** is at 8.700617 -1.164863 2.456857 ESP Fit Center **** is at 8.935189 -0.808213 2.456857 ESP Fit Center **** is at 9.081189 -0.407082 2.456857 ESP Fit Center **** is at 9.370701 0.016907 2.114167 ESP Fit Center **** is at 9.328154 0.435298 2.114167 ESP Fit Center **** is at 7.606976 -2.037586 2.114167 ESP Fit Center **** is at 8.014100 -1.932174 2.114167 ESP Fit Center **** is at 8.391671 -1.746967 2.114167 ESP Fit Center **** is at 8.724231 -1.489547 2.114167 ESP Fit Center **** is at 8.998164 -1.170452 2.114167 ESP Fit Center **** is at 9.202258 -0.802746 2.114167 ESP Fit Center **** is at 9.328154 -0.401484 2.114167 ESP Fit Center **** is at 9.547502 0.016907 1.735015 ESP Fit Center **** is at 9.506746 0.443718 1.735015 ESP Fit Center **** is at 9.385953 0.855103 1.735015 ESP Fit Center **** is at 7.823938 -2.174783 1.735015 ESP Fit Center **** is at 8.229109 -2.034552 1.735015 ESP Fit Center **** is at 8.600420 -1.820176 1.735015 ESP Fit Center **** is at 8.924450 -1.539402 1.735015 ESP Fit Center **** is at 9.189487 -1.202380 1.735015 ESP Fit Center **** is at 9.385953 -0.821290 1.735015 ESP Fit Center **** is at 9.506746 -0.409904 1.735015 ESP Fit Center **** is at 9.655778 0.016907 1.330922 ESP Fit Center **** is at 9.617795 0.438933 1.330922 ESP Fit Center **** is at 9.505067 0.847395 1.330922 ESP Fit Center **** is at 8.022613 -2.230952 1.330922 ESP Fit Center **** is at 8.412247 -2.064415 1.330922 ESP Fit Center **** is at 8.765882 -1.830982 1.330922 ESP Fit Center **** is at 9.072153 -1.538157 1.330922 ESP Fit Center **** is at 9.321217 -1.195350 1.330922 ESP Fit Center **** is at 9.505067 -0.813581 1.330922 ESP Fit Center **** is at 9.617795 -0.405119 1.330922 ESP Fit Center **** is at 9.692240 0.016907 0.914167 ESP Fit Center **** is at 9.655778 0.433662 0.914167 ESP Fit Center **** is at 9.547502 0.837755 0.914167 ESP Fit Center **** is at 8.492240 -2.061554 0.914167 ESP Fit Center **** is at 8.834930 -1.821600 0.914167 ESP Fit Center **** is at 9.130746 -1.525783 0.914167 ESP Fit Center **** is at 9.370701 -1.183093 0.914167 ESP Fit Center **** is at 9.547502 -0.803942 0.914167 ESP Fit Center **** is at 9.655778 -0.399849 0.914167 ESP Fit Center **** is at 9.655778 0.016907 0.497411 ESP Fit Center **** is at 9.617795 0.438933 0.497411 ESP Fit Center **** is at 9.505067 0.847395 0.497411 ESP Fit Center **** is at 8.412247 -2.064415 0.497411 ESP Fit Center **** is at 8.765882 -1.830982 0.497411 ESP Fit Center **** is at 9.072153 -1.538157 0.497411 ESP Fit Center **** is at 9.321217 -1.195350 0.497411 ESP Fit Center **** is at 9.505067 -0.813581 0.497411 ESP Fit Center **** is at 9.617795 -0.405119 0.497411 ESP Fit Center **** is at 9.547502 0.016907 0.093318 ESP Fit Center **** is at 9.506746 0.443718 0.093318 ESP Fit Center **** is at 9.385953 0.855103 0.093318 ESP Fit Center **** is at 8.600420 -1.820176 0.093318 ESP Fit Center **** is at 8.924450 -1.539402 0.093318 ESP Fit Center **** is at 9.189487 -1.202380 0.093318 ESP Fit Center **** is at 9.385953 -0.821290 0.093318 ESP Fit Center **** is at 9.506746 -0.409904 0.093318 ESP Fit Center **** is at 9.370701 0.016907 -0.285833 ESP Fit Center **** is at 9.328154 0.435298 -0.285833 ESP Fit Center **** is at 9.202258 0.836560 -0.285833 ESP Fit Center **** is at 8.391671 -1.746967 -0.285833 ESP Fit Center **** is at 8.724231 -1.489547 -0.285833 ESP Fit Center **** is at 8.998164 -1.170452 -0.285833 ESP Fit Center **** is at 9.202258 -0.802746 -0.285833 ESP Fit Center **** is at 9.328154 -0.401484 -0.285833 ESP Fit Center **** is at 9.130746 0.016907 -0.628523 ESP Fit Center **** is at 9.081189 0.440896 -0.628523 ESP Fit Center **** is at 8.390120 -1.457802 -0.628523 ESP Fit Center **** is at 8.700617 -1.164863 -0.628523 ESP Fit Center **** is at 8.935189 -0.808213 -0.628523 ESP Fit Center **** is at 9.081189 -0.407082 -0.628523 ESP Fit Center **** is at 8.834930 0.016907 -0.924340 ESP Fit Center **** is at 8.777723 0.433120 -0.924340 ESP Fit Center **** is at 8.345208 -1.110547 -0.924340 ESP Fit Center **** is at 8.610344 -0.784650 -0.924340 ESP Fit Center **** is at 8.777723 -0.399306 -0.924340 ESP Fit Center **** is at 8.492240 0.016907 -1.164294 ESP Fit Center **** is at 8.419871 0.427331 -1.164294 ESP Fit Center **** is at 7.892240 -1.022324 -1.164294 ESP Fit Center **** is at 8.211493 -0.754438 -1.164294 ESP Fit Center **** is at 8.419871 -0.393517 -1.164294 ESP Fit Center **** is at 8.113088 0.016907 -1.341096 ESP Fit Center **** is at 8.003115 -0.393517 -1.341096 ESP Fit Center **** is at 6.033520 0.408869 4.451525 ESP Fit Center **** is at 6.450276 0.408869 4.415064 ESP Fit Center **** is at 6.241898 0.769789 4.415064 ESP Fit Center **** is at 5.825143 0.769789 4.415064 ESP Fit Center **** is at 5.616765 0.408869 4.415064 ESP Fit Center **** is at 5.825143 0.047948 4.415064 ESP Fit Center **** is at 6.241898 0.047948 4.415064 ESP Fit Center **** is at 6.854369 0.408869 4.306787 ESP Fit Center **** is at 6.744396 0.819293 4.306787 ESP Fit Center **** is at 6.443945 1.119744 4.306787 ESP Fit Center **** is at 6.033520 1.229717 4.306787 ESP Fit Center **** is at 5.623096 1.119744 4.306787 ESP Fit Center **** is at 5.322645 0.819293 4.306787 ESP Fit Center **** is at 5.212672 0.408869 4.306787 ESP Fit Center **** is at 5.322645 -0.001556 4.306787 ESP Fit Center **** is at 5.623096 -0.302007 4.306787 ESP Fit Center **** is at 6.033520 -0.411980 4.306787 ESP Fit Center **** is at 6.443945 -0.302007 4.306787 ESP Fit Center **** is at 6.744396 -0.001556 4.306787 ESP Fit Center **** is at 7.233520 0.408869 4.129986 ESP Fit Center **** is at 7.161152 0.819293 4.129986 ESP Fit Center **** is at 6.952774 1.180214 4.129986 ESP Fit Center **** is at 6.633520 1.448099 4.129986 ESP Fit Center **** is at 6.241898 1.590638 4.129986 ESP Fit Center **** is at 5.825143 1.590638 4.129986 ESP Fit Center **** is at 5.433520 1.448099 4.129986 ESP Fit Center **** is at 5.114267 1.180214 4.129986 ESP Fit Center **** is at 4.905889 0.819293 4.129986 ESP Fit Center **** is at 4.833520 0.408869 4.129986 ESP Fit Center **** is at 4.905889 -0.001556 4.129986 ESP Fit Center **** is at 5.114267 -0.362477 4.129986 ESP Fit Center **** is at 5.433520 -0.630362 4.129986 ESP Fit Center **** is at 5.825143 -0.772901 4.129986 ESP Fit Center **** is at 6.241898 -0.772901 4.129986 ESP Fit Center **** is at 6.633520 -0.630362 4.129986 ESP Fit Center **** is at 6.952774 -0.362477 4.129986 ESP Fit Center **** is at 7.161152 -0.001556 4.129986 ESP Fit Center **** is at 7.576211 0.408869 3.890032 ESP Fit Center **** is at 7.519004 0.825081 3.890032 ESP Fit Center **** is at 7.351625 1.210426 3.890032 ESP Fit Center **** is at 7.086489 1.536322 3.890032 ESP Fit Center **** is at 6.743258 1.778600 3.890032 ESP Fit Center **** is at 6.347390 1.919292 3.890032 ESP Fit Center **** is at 5.928244 1.947962 3.890032 ESP Fit Center **** is at 5.516905 1.862485 3.890032 ESP Fit Center **** is at 5.143881 1.669200 3.890032 ESP Fit Center **** is at 4.836838 1.382442 3.890032 ESP Fit Center **** is at 4.618547 1.023478 3.890032 ESP Fit Center **** is at 4.505199 0.618931 3.890032 ESP Fit Center **** is at 4.505199 0.198806 3.890032 ESP Fit Center **** is at 4.618547 -0.205741 3.890032 ESP Fit Center **** is at 4.836838 -0.564705 3.890032 ESP Fit Center **** is at 5.143881 -0.851463 3.890032 ESP Fit Center **** is at 5.516905 -1.044748 3.890032 ESP Fit Center **** is at 5.928244 -1.130225 3.890032 ESP Fit Center **** is at 6.347390 -1.101555 3.890032 ESP Fit Center **** is at 6.743258 -0.960863 3.890032 ESP Fit Center **** is at 7.086489 -0.718585 3.890032 ESP Fit Center **** is at 7.351625 -0.392689 3.890032 ESP Fit Center **** is at 7.519004 -0.007344 3.890032 ESP Fit Center **** is at 5.114267 2.001062 3.594215 ESP Fit Center **** is at 4.771861 1.746150 3.594215 ESP Fit Center **** is at 4.497471 1.419144 3.594215 ESP Fit Center **** is at 4.305889 1.037675 3.594215 ESP Fit Center **** is at 4.207445 0.622306 3.594215 ESP Fit Center **** is at 4.207445 0.195431 3.594215 ESP Fit Center **** is at 4.305889 -0.219938 3.594215 ESP Fit Center **** is at 4.497471 -0.601407 3.594215 ESP Fit Center **** is at 4.771861 -0.928413 3.594215 ESP Fit Center **** is at 5.114267 -1.183325 3.594215 ESP Fit Center **** is at 5.506231 -1.352402 3.594215 ESP Fit Center **** is at 5.926621 -1.426528 3.594215 ESP Fit Center **** is at 6.352774 -1.401707 3.594215 ESP Fit Center **** is at 6.761716 -1.279278 3.594215 ESP Fit Center **** is at 7.131400 -1.065840 3.594215 ESP Fit Center **** is at 7.441898 -0.772901 3.594215 ESP Fit Center **** is at 7.676470 -0.416252 3.594215 ESP Fit Center **** is at 4.761282 2.052465 3.251525 ESP Fit Center **** is at 4.456471 1.762721 3.251525 ESP Fit Center **** is at 4.216225 1.417550 3.251525 ESP Fit Center **** is at 4.050379 1.031083 3.251525 ESP Fit Center **** is at 3.965723 0.619143 3.251525 ESP Fit Center **** is at 3.965723 0.198594 3.251525 ESP Fit Center **** is at 4.050379 -0.213346 3.251525 ESP Fit Center **** is at 5.928248 -1.666925 3.251525 ESP Fit Center **** is at 6.348257 -1.645624 3.251525 ESP Fit Center **** is at 6.755381 -1.540213 3.251525 ESP Fit Center **** is at 7.132951 -1.355005 3.251525 ESP Fit Center **** is at 4.260765 1.802979 2.872374 ESP Fit Center **** is at 4.028963 1.442290 2.872374 ESP Fit Center **** is at 3.869612 1.044249 2.872374 ESP Fit Center **** is at 3.788470 0.623245 2.872374 ESP Fit Center **** is at 3.788470 0.194492 2.872374 ESP Fit Center **** is at 6.565219 -1.782821 2.872374 ESP Fit Center **** is at 3.755157 1.037657 2.468281 ESP Fit Center **** is at 6.720583 2.089564 3.901407 ESP Fit Center **** is at 6.516333 2.443335 3.873465 ESP Fit Center **** is at 6.312083 2.089564 3.873465 ESP Fit Center **** is at 6.924833 1.735792 3.873465 ESP Fit Center **** is at 6.315888 2.790516 3.790159 ESP Fit Center **** is at 6.019630 2.494259 3.790159 ESP Fit Center **** is at 5.911192 2.089564 3.790159 ESP Fit Center **** is at 6.513038 3.266609 3.653041 ESP Fit Center **** is at 6.122981 3.124640 3.653041 ESP Fit Center **** is at 5.805004 2.857825 3.653041 ESP Fit Center **** is at 5.597459 2.498347 3.653041 ESP Fit Center **** is at 6.198588 3.558314 3.464665 ESP Fit Center **** is at 5.821681 3.363017 3.464665 ESP Fit Center **** is at 5.511441 3.073273 3.464665 ESP Fit Center **** is at 5.290878 2.710572 3.464665 ESP Fit Center **** is at 5.176349 2.301814 3.464665 ESP Fit Center **** is at 6.414287 3.957886 3.228541 ESP Fit Center **** is at 6.019813 3.848362 3.228541 ESP Fit Center **** is at 4.838417 2.294261 3.228541 ESP Fit Center **** is at 6.408556 4.259755 2.949066 ESP Fit Center **** is at 6.824602 4.538265 2.631448 ESP Fit Center **** is at 6.409273 4.520622 2.631448 ESP Fit Center **** is at 7.137270 4.720425 2.281602 ESP Fit Center **** is at 6.720583 4.753219 2.281602 ESP Fit Center **** is at 6.303895 4.720425 2.281602 ESP Fit Center **** is at 7.435570 4.824430 1.906046 ESP Fit Center **** is at 7.029751 4.899388 1.906046 ESP Fit Center **** is at 6.617343 4.914460 1.906046 ESP Fit Center **** is at 7.628244 4.883056 1.511775 ESP Fit Center **** is at 7.230631 4.982192 1.511775 ESP Fit Center **** is at 6.823091 5.025026 1.511775 ESP Fit Center **** is at 6.413556 5.010725 1.511775 ESP Fit Center **** is at 8.394251 4.570878 1.106134 ESP Fit Center **** is at 8.032630 4.779660 1.106134 ESP Fit Center **** is at 7.645472 4.936082 1.106134 ESP Fit Center **** is at 7.240313 5.037099 1.106134 ESP Fit Center **** is at 6.825037 5.080747 1.106134 ESP Fit Center **** is at 6.407728 5.066174 1.106134 ESP Fit Center **** is at 9.597645 1.264579 1.106134 ESP Fit Center **** is at 9.713589 2.089564 0.696680 ESP Fit Center **** is at 9.684461 2.506109 0.696680 ESP Fit Center **** is at 9.013359 4.013431 0.696680 ESP Fit Center **** is at 8.723295 4.313801 0.696680 ESP Fit Center **** is at 8.394251 4.570878 0.696680 ESP Fit Center **** is at 8.032630 4.779660 0.696680 ESP Fit Center **** is at 7.645472 4.936082 0.696680 ESP Fit Center **** is at 7.240313 5.037099 0.696680 ESP Fit Center **** is at 6.825037 5.080747 0.696680 ESP Fit Center **** is at 6.407728 5.066174 0.696680 ESP Fit Center **** is at 9.597645 1.264579 0.696680 ESP Fit Center **** is at 9.684461 1.673018 0.696680 ESP Fit Center **** is at 9.657835 2.089564 0.291039 ESP Fit Center **** is at 9.629250 2.498350 0.291039 ESP Fit Center **** is at 9.544051 2.899180 0.291039 ESP Fit Center **** is at 9.403896 3.284252 0.291039 ESP Fit Center **** is at 9.211514 3.646070 0.291039 ESP Fit Center **** is at 8.970648 3.977593 0.291039 ESP Fit Center **** is at 8.685988 4.272367 0.291039 ESP Fit Center **** is at 8.363073 4.524656 0.291039 ESP Fit Center **** is at 8.008189 4.729548 0.291039 ESP Fit Center **** is at 7.628244 4.883056 0.291039 ESP Fit Center **** is at 7.230631 4.982192 0.291039 ESP Fit Center **** is at 6.823091 5.025026 0.291039 ESP Fit Center **** is at 6.413556 5.010725 0.291039 ESP Fit Center **** is at 9.544051 1.279947 0.291039 ESP Fit Center **** is at 9.629250 1.680777 0.291039 ESP Fit Center **** is at 9.547365 2.089564 -0.103232 ESP Fit Center **** is at 9.517241 2.501146 -0.103232 ESP Fit Center **** is at 8.528799 4.262362 -0.103232 ESP Fit Center **** is at 8.193168 4.502486 -0.103232 ESP Fit Center **** is at 7.826151 4.691182 -0.103232 ESP Fit Center **** is at 7.435570 4.824430 -0.103232 ESP Fit Center **** is at 7.029751 4.899388 -0.103232 ESP Fit Center **** is at 6.617343 4.914460 -0.103232 ESP Fit Center **** is at 6.207135 4.869325 -0.103232 ESP Fit Center **** is at 9.427512 1.275170 -0.103232 ESP Fit Center **** is at 9.517241 1.677981 -0.103232 ESP Fit Center **** is at 7.137270 4.720425 -0.478788 ESP Fit Center **** is at 6.720583 4.753219 -0.478788 ESP Fit Center **** is at 6.303895 4.720425 -0.478788 ESP Fit Center **** is at 5.897468 4.622851 -0.478788 ESP Fit Center **** is at 9.093917 0.880289 -0.478788 ESP Fit Center **** is at 9.253870 1.266449 -0.478788 ESP Fit Center **** is at 6.409273 4.520622 -0.828634 ESP Fit Center **** is at 6.002901 4.433042 -0.828634 ESP Fit Center **** is at 5.617174 4.278044 -0.828634 ESP Fit Center **** is at 5.624329 3.988331 -1.146253 ESP Fit Center **** is at 5.284795 3.746550 -1.146253 ESP Fit Center **** is at 4.997155 3.444882 -1.146253 ESP Fit Center **** is at 4.771804 3.094229 -1.146253 ESP Fit Center **** is at 5.346082 3.391560 -1.425727 ESP Fit Center **** is at 5.098326 3.065643 -1.425727 ESP Fit Center **** is at 5.290878 2.710572 -1.661851 ESP Fit Center **** is at 5.429428 3.416858 3.311655 ESP Fit Center **** is at 5.128976 3.116407 3.311655 ESP Fit Center **** is at 5.019004 2.705982 3.311655 ESP Fit Center **** is at 5.631474 3.887752 3.134854 ESP Fit Center **** is at 5.239852 3.745213 3.134854 ESP Fit Center **** is at 4.920599 3.477328 3.134854 ESP Fit Center **** is at 4.712221 3.116407 3.134854 ESP Fit Center **** is at 4.639852 2.705982 3.134854 ESP Fit Center **** is at 4.712221 2.295558 3.134854 ESP Fit Center **** is at 5.734575 4.245076 2.894900 ESP Fit Center **** is at 5.323236 4.159599 2.894900 ESP Fit Center **** is at 4.950213 3.966314 2.894900 ESP Fit Center **** is at 4.643170 3.679556 2.894900 ESP Fit Center **** is at 4.424879 3.320592 2.894900 ESP Fit Center **** is at 4.311530 2.916045 2.894900 ESP Fit Center **** is at 4.311530 2.495919 2.894900 ESP Fit Center **** is at 4.424879 2.091373 2.894900 ESP Fit Center **** is at 6.159105 4.516558 2.599083 ESP Fit Center **** is at 5.732952 4.541379 2.599083 ESP Fit Center **** is at 5.312562 4.467253 2.599083 ESP Fit Center **** is at 4.920599 4.298176 2.599083 ESP Fit Center **** is at 4.578192 4.043264 2.599083 ESP Fit Center **** is at 4.303802 3.716258 2.599083 ESP Fit Center **** is at 4.112221 3.334789 2.599083 ESP Fit Center **** is at 4.013777 2.919420 2.599083 ESP Fit Center **** is at 4.013777 2.492545 2.599083 ESP Fit Center **** is at 4.112221 2.077176 2.599083 ESP Fit Center **** is at 6.154589 4.760475 2.256393 ESP Fit Center **** is at 5.734580 4.781776 2.256393 ESP Fit Center **** is at 5.318880 4.718093 2.256393 ESP Fit Center **** is at 4.924510 4.572034 2.256393 ESP Fit Center **** is at 4.567614 4.349579 2.256393 ESP Fit Center **** is at 4.262803 4.059835 2.256393 ESP Fit Center **** is at 4.022557 3.714664 2.256393 ESP Fit Center **** is at 3.856711 3.328197 2.256393 ESP Fit Center **** is at 3.772055 2.916257 2.256393 ESP Fit Center **** is at 3.772055 2.495708 2.256393 ESP Fit Center **** is at 3.856711 2.083768 2.256393 ESP Fit Center **** is at 5.947162 4.958690 1.877241 ESP Fit Center **** is at 5.518895 4.938289 1.877241 ESP Fit Center **** is at 5.102228 4.837207 1.877241 ESP Fit Center **** is at 4.712221 4.659097 1.877241 ESP Fit Center **** is at 4.362969 4.410396 1.877241 ESP Fit Center **** is at 4.067096 4.100093 1.877241 ESP Fit Center **** is at 3.835295 3.739403 1.877241 ESP Fit Center **** is at 3.675944 3.341363 1.877241 ESP Fit Center **** is at 3.594802 2.920359 1.877241 ESP Fit Center **** is at 3.594802 2.491606 1.877241 ESP Fit Center **** is at 6.157117 5.048130 1.473148 ESP Fit Center **** is at 5.733812 5.067141 1.473148 ESP Fit Center **** is at 5.313915 5.010262 1.473148 ESP Fit Center **** is at 4.910922 4.879322 1.473148 ESP Fit Center **** is at 4.537786 4.678529 1.473148 ESP Fit Center **** is at 4.206499 4.414336 1.473148 ESP Fit Center **** is at 3.927709 4.095236 1.473148 ESP Fit Center **** is at 3.710377 3.731483 1.473148 ESP Fit Center **** is at 3.561488 3.334771 1.473148 ESP Fit Center **** is at 3.485828 2.917848 1.473148 ESP Fit Center **** is at 6.256608 5.069521 1.056393 ESP Fit Center **** is at 5.839852 5.105982 1.056393 ESP Fit Center **** is at 5.423096 5.069521 1.056393 ESP Fit Center **** is at 5.019004 4.961245 1.056393 ESP Fit Center **** is at 4.639852 4.784443 1.056393 ESP Fit Center **** is at 4.297162 4.544489 1.056393 ESP Fit Center **** is at 4.001345 4.248673 1.056393 ESP Fit Center **** is at 3.761391 3.905982 1.056393 ESP Fit Center **** is at 3.584590 3.526831 1.056393 ESP Fit Center **** is at 3.476313 3.122738 1.056393 ESP Fit Center **** is at 6.157117 5.048130 0.639637 ESP Fit Center **** is at 5.733812 5.067141 0.639637 ESP Fit Center **** is at 5.313915 5.010262 0.639637 ESP Fit Center **** is at 4.910922 4.879322 0.639637 ESP Fit Center **** is at 4.537786 4.678529 0.639637 ESP Fit Center **** is at 4.206499 4.414336 0.639637 ESP Fit Center **** is at 3.927709 4.095236 0.639637 ESP Fit Center **** is at 3.710377 3.731483 0.639637 ESP Fit Center **** is at 3.561488 3.334771 0.639637 ESP Fit Center **** is at 3.485828 2.917848 0.639637 ESP Fit Center **** is at 5.947162 4.958690 0.235545 ESP Fit Center **** is at 5.518895 4.938289 0.235545 ESP Fit Center **** is at 5.102228 4.837207 0.235545 ESP Fit Center **** is at 4.712221 4.659097 0.235545 ESP Fit Center **** is at 4.362969 4.410396 0.235545 ESP Fit Center **** is at 4.067096 4.100093 0.235545 ESP Fit Center **** is at 3.835295 3.739403 0.235545 ESP Fit Center **** is at 3.675944 3.341363 0.235545 ESP Fit Center **** is at 5.734580 4.781776 -0.143607 ESP Fit Center **** is at 5.318880 4.718093 -0.143607 ESP Fit Center **** is at 4.924510 4.572034 -0.143607 ESP Fit Center **** is at 4.567614 4.349579 -0.143607 ESP Fit Center **** is at 4.262803 4.059835 -0.143607 ESP Fit Center **** is at 4.022557 3.714664 -0.143607 ESP Fit Center **** is at 3.856711 3.328197 -0.143607 ESP Fit Center **** is at 5.312562 4.467253 -0.486297 ESP Fit Center **** is at 4.920599 4.298176 -0.486297 ESP Fit Center **** is at 4.578192 4.043264 -0.486297 ESP Fit Center **** is at 4.303802 3.716258 -0.486297 ESP Fit Center **** is at 4.112221 3.334789 -0.486297 ESP Fit Center **** is at 5.323236 4.159599 -0.782114 ESP Fit Center **** is at 4.950213 3.966314 -0.782114 ESP Fit Center **** is at 4.643170 3.679556 -0.782114 ESP Fit Center **** is at 4.424879 3.320592 -0.782114 ESP Fit Center **** is at 9.363983 3.133273 -0.088582 ESP Fit Center **** is at 9.187182 3.512425 -0.088582 ESP Fit Center **** is at 8.947227 3.855115 -0.088582 ESP Fit Center **** is at 9.472259 2.312425 -0.505338 ESP Fit Center **** is at 9.434276 2.734451 -0.505338 ESP Fit Center **** is at 9.321548 3.142913 -0.505338 ESP Fit Center **** is at 9.137698 3.524682 -0.505338 ESP Fit Center **** is at 8.888634 3.867488 -0.505338 ESP Fit Center **** is at 8.582363 4.160313 -0.505338 ESP Fit Center **** is at 8.228728 4.393746 -0.505338 ESP Fit Center **** is at 7.839094 4.560283 -0.505338 ESP Fit Center **** is at 7.425986 4.654573 -0.505338 ESP Fit Center **** is at 9.321548 1.481937 -0.505338 ESP Fit Center **** is at 9.434276 1.890398 -0.505338 ESP Fit Center **** is at 9.363983 2.312425 -0.909431 ESP Fit Center **** is at 9.323228 2.739236 -0.909431 ESP Fit Center **** is at 9.202434 3.150621 -0.909431 ESP Fit Center **** is at 9.005968 3.531711 -0.909431 ESP Fit Center **** is at 8.740931 3.868734 -0.909431 ESP Fit Center **** is at 8.416901 4.149507 -0.909431 ESP Fit Center **** is at 8.045591 4.363883 -0.909431 ESP Fit Center **** is at 7.640419 4.504115 -0.909431 ESP Fit Center **** is at 7.216030 4.565132 -0.909431 ESP Fit Center **** is at 6.787763 4.544732 -0.909431 ESP Fit Center **** is at 8.740931 0.756115 -0.909431 ESP Fit Center **** is at 9.005968 1.093138 -0.909431 ESP Fit Center **** is at 9.202434 1.474228 -0.909431 ESP Fit Center **** is at 9.323228 1.885613 -0.909431 ESP Fit Center **** is at 9.187182 2.312425 -1.288582 ESP Fit Center **** is at 9.144635 2.730816 -1.288582 ESP Fit Center **** is at 9.018739 3.132078 -1.288582 ESP Fit Center **** is at 8.814646 3.499783 -1.288582 ESP Fit Center **** is at 8.540712 3.818878 -1.288582 ESP Fit Center **** is at 8.208152 4.076299 -1.288582 ESP Fit Center **** is at 7.830581 4.261506 -1.288582 ESP Fit Center **** is at 7.423457 4.366917 -1.288582 ESP Fit Center **** is at 7.003448 4.388218 -1.288582 ESP Fit Center **** is at 6.587749 4.324535 -1.288582 ESP Fit Center **** is at 6.193379 4.178476 -1.288582 ESP Fit Center **** is at 5.836482 3.956021 -1.288582 ESP Fit Center **** is at 8.540712 0.805971 -1.288582 ESP Fit Center **** is at 8.814646 1.125066 -1.288582 ESP Fit Center **** is at 9.018739 1.492771 -1.288582 ESP Fit Center **** is at 9.144635 1.894033 -1.288582 ESP Fit Center **** is at 8.947227 2.312425 -1.631273 ESP Fit Center **** is at 8.897670 2.736413 -1.631273 ESP Fit Center **** is at 8.751670 3.137545 -1.631273 ESP Fit Center **** is at 8.517099 3.494194 -1.631273 ESP Fit Center **** is at 8.206601 3.787133 -1.631273 ESP Fit Center **** is at 7.836916 4.000571 -1.631273 ESP Fit Center **** is at 7.427974 4.123000 -1.631273 ESP Fit Center **** is at 7.001821 4.147821 -1.631273 ESP Fit Center **** is at 6.581431 4.073695 -1.631273 ESP Fit Center **** is at 6.189467 3.904618 -1.631273 ESP Fit Center **** is at 5.847061 3.649706 -1.631273 ESP Fit Center **** is at 5.572671 3.322700 -1.631273 ESP Fit Center **** is at 8.206601 0.837716 -1.631273 ESP Fit Center **** is at 8.517099 1.130655 -1.631273 ESP Fit Center **** is at 8.751670 1.487304 -1.631273 ESP Fit Center **** is at 8.897670 1.888436 -1.631273 ESP Fit Center **** is at 8.651411 2.312425 -1.927089 ESP Fit Center **** is at 8.594204 2.728637 -1.927089 ESP Fit Center **** is at 8.426825 3.113982 -1.927089 ESP Fit Center **** is at 8.161689 3.439878 -1.927089 ESP Fit Center **** is at 7.818459 3.682156 -1.927089 ESP Fit Center **** is at 7.422590 3.822848 -1.927089 ESP Fit Center **** is at 7.003444 3.851518 -1.927089 ESP Fit Center **** is at 6.592105 3.766041 -1.927089 ESP Fit Center **** is at 6.219082 3.572756 -1.927089 ESP Fit Center **** is at 5.912038 3.285998 -1.927089 ESP Fit Center **** is at 5.693748 2.927034 -1.927089 ESP Fit Center **** is at 7.818459 0.942693 -1.927089 ESP Fit Center **** is at 8.161689 1.184971 -1.927089 ESP Fit Center **** is at 8.426825 1.510867 -1.927089 ESP Fit Center **** is at 8.594204 1.896212 -1.927089 ESP Fit Center **** is at 8.308721 2.312425 -2.167043 ESP Fit Center **** is at 8.236352 2.722849 -2.167043 ESP Fit Center **** is at 8.027974 3.083770 -2.167043 ESP Fit Center **** is at 7.708721 3.351655 -2.167043 ESP Fit Center **** is at 7.317099 3.494194 -2.167043 ESP Fit Center **** is at 6.900343 3.494194 -2.167043 ESP Fit Center **** is at 6.508721 3.351655 -2.167043 ESP Fit Center **** is at 6.189467 3.083770 -2.167043 ESP Fit Center **** is at 5.981090 2.722849 -2.167043 ESP Fit Center **** is at 7.708721 1.273194 -2.167043 ESP Fit Center **** is at 8.027974 1.541079 -2.167043 ESP Fit Center **** is at 8.236352 1.902000 -2.167043 ESP Fit Center **** is at 7.929569 2.312425 -2.343845 ESP Fit Center **** is at 7.819596 2.722849 -2.343845 ESP Fit Center **** is at 7.519145 3.023300 -2.343845 ESP Fit Center **** is at 7.108721 3.133273 -2.343845 ESP Fit Center **** is at 6.698297 3.023300 -2.343845 ESP Fit Center **** is at 6.397845 2.722849 -2.343845 ESP Fit Center **** is at 6.287872 2.312425 -2.343845 ESP Fit Center **** is at 7.519145 1.601549 -2.343845 ESP Fit Center **** is at 7.819596 1.902000 -2.343845 ESP Fit Center **** is at 7.525476 2.312425 -2.452121 ESP Fit Center **** is at 7.317099 2.673346 -2.452121 ESP Fit Center **** is at 6.900343 2.673346 -2.452121 ESP Fit Center **** is at 6.691965 2.312425 -2.452121 ESP Fit Center **** is at 6.900343 1.951504 -2.452121 ESP Fit Center **** is at 7.317099 1.951504 -2.452121 ESP Fit Center **** is at 7.108721 2.312425 -2.488582 ESP Fit Center **** is at 7.469617 2.393814 4.026143 ESP Fit Center **** is at 7.886372 2.393814 3.989681 ESP Fit Center **** is at 7.677995 2.754735 3.989681 ESP Fit Center **** is at 7.261239 2.754735 3.989681 ESP Fit Center **** is at 7.052861 2.393814 3.989681 ESP Fit Center **** is at 7.261239 2.032893 3.989681 ESP Fit Center **** is at 7.677995 2.032893 3.989681 ESP Fit Center **** is at 8.290465 2.393814 3.881405 ESP Fit Center **** is at 8.180492 2.804239 3.881405 ESP Fit Center **** is at 7.880041 3.104690 3.881405 ESP Fit Center **** is at 7.469617 3.214663 3.881405 ESP Fit Center **** is at 7.059193 3.104690 3.881405 ESP Fit Center **** is at 6.758741 2.804239 3.881405 ESP Fit Center **** is at 7.059193 1.682939 3.881405 ESP Fit Center **** is at 7.469617 1.572966 3.881405 ESP Fit Center **** is at 7.880041 1.682939 3.881405 ESP Fit Center **** is at 8.180492 1.983390 3.881405 ESP Fit Center **** is at 8.669617 2.393814 3.704604 ESP Fit Center **** is at 8.597248 2.804239 3.704604 ESP Fit Center **** is at 8.388870 3.165160 3.704604 ESP Fit Center **** is at 8.069617 3.433045 3.704604 ESP Fit Center **** is at 7.677995 3.575584 3.704604 ESP Fit Center **** is at 7.261239 3.575584 3.704604 ESP Fit Center **** is at 6.869617 3.433045 3.704604 ESP Fit Center **** is at 6.550364 3.165160 3.704604 ESP Fit Center **** is at 7.677995 1.212045 3.704604 ESP Fit Center **** is at 8.069617 1.354584 3.704604 ESP Fit Center **** is at 8.388870 1.622469 3.704604 ESP Fit Center **** is at 8.597248 1.983390 3.704604 ESP Fit Center **** is at 9.012307 2.393814 3.464649 ESP Fit Center **** is at 8.955100 2.810027 3.464649 ESP Fit Center **** is at 8.787721 3.195372 3.464649 ESP Fit Center **** is at 8.522585 3.521268 3.464649 ESP Fit Center **** is at 8.179355 3.763546 3.464649 ESP Fit Center **** is at 7.783486 3.904238 3.464649 ESP Fit Center **** is at 7.364340 3.932908 3.464649 ESP Fit Center **** is at 6.953001 3.847431 3.464649 ESP Fit Center **** is at 6.579978 3.654146 3.464649 ESP Fit Center **** is at 8.179355 1.024083 3.464649 ESP Fit Center **** is at 8.522585 1.266361 3.464649 ESP Fit Center **** is at 8.787721 1.592257 3.464649 ESP Fit Center **** is at 8.955100 1.977602 3.464649 ESP Fit Center **** is at 9.308124 2.393814 3.168833 ESP Fit Center **** is at 9.258566 2.817803 3.168833 ESP Fit Center **** is at 9.112566 3.218935 3.168833 ESP Fit Center **** is at 8.877995 3.575584 3.168833 ESP Fit Center **** is at 8.567497 3.868523 3.168833 ESP Fit Center **** is at 8.197812 4.081961 3.168833 ESP Fit Center **** is at 7.788870 4.204390 3.168833 ESP Fit Center **** is at 7.362717 4.229211 3.168833 ESP Fit Center **** is at 6.942327 4.155085 3.168833 ESP Fit Center **** is at 8.567497 0.919106 3.168833 ESP Fit Center **** is at 8.877995 1.212045 3.168833 ESP Fit Center **** is at 9.112566 1.568694 3.168833 ESP Fit Center **** is at 9.258566 1.969826 3.168833 ESP Fit Center **** is at 9.548078 2.393814 2.826143 ESP Fit Center **** is at 9.505532 2.812206 2.826143 ESP Fit Center **** is at 9.379635 3.213468 2.826143 ESP Fit Center **** is at 9.175542 3.581173 2.826143 ESP Fit Center **** is at 8.901608 3.900268 2.826143 ESP Fit Center **** is at 8.569048 4.157688 2.826143 ESP Fit Center **** is at 8.191477 4.342896 2.826143 ESP Fit Center **** is at 7.784354 4.448307 2.826143 ESP Fit Center **** is at 7.364345 4.469608 2.826143 ESP Fit Center **** is at 6.948645 4.405925 2.826143 ESP Fit Center **** is at 8.901608 0.887361 2.826143 ESP Fit Center **** is at 9.175542 1.206456 2.826143 ESP Fit Center **** is at 9.379635 1.574161 2.826143 ESP Fit Center **** is at 9.505532 1.975423 2.826143 ESP Fit Center **** is at 9.724879 2.393814 2.446991 ESP Fit Center **** is at 9.684124 2.820626 2.446991 ESP Fit Center **** is at 9.563330 3.232011 2.446991 ESP Fit Center **** is at 9.366864 3.613101 2.446991 ESP Fit Center **** is at 9.101827 3.950124 2.446991 ESP Fit Center **** is at 8.777797 4.230897 2.446991 ESP Fit Center **** is at 8.406487 4.445273 2.446991 ESP Fit Center **** is at 8.001315 4.585504 2.446991 ESP Fit Center **** is at 7.576927 4.646522 2.446991 ESP Fit Center **** is at 7.148660 4.626121 2.446991 ESP Fit Center **** is at 9.101827 0.837505 2.446991 ESP Fit Center **** is at 9.366864 1.174528 2.446991 ESP Fit Center **** is at 9.563330 1.555618 2.446991 ESP Fit Center **** is at 9.684124 1.967003 2.446991 ESP Fit Center **** is at 9.833155 2.393814 2.042898 ESP Fit Center **** is at 9.795172 2.815841 2.042898 ESP Fit Center **** is at 9.682444 3.224302 2.042898 ESP Fit Center **** is at 9.498594 3.606072 2.042898 ESP Fit Center **** is at 9.249530 3.948878 2.042898 ESP Fit Center **** is at 8.943259 4.241703 2.042898 ESP Fit Center **** is at 8.589624 4.475136 2.042898 ESP Fit Center **** is at 8.199990 4.641673 2.042898 ESP Fit Center **** is at 7.786882 4.735962 2.042898 ESP Fit Center **** is at 9.249530 0.838751 2.042898 ESP Fit Center **** is at 9.498594 1.181557 2.042898 ESP Fit Center **** is at 9.682444 1.563326 2.042898 ESP Fit Center **** is at 9.795172 1.971788 2.042898 ESP Fit Center **** is at 9.869617 2.393814 1.626143 ESP Fit Center **** is at 9.833155 2.810570 1.626143 ESP Fit Center **** is at 9.724879 3.214663 1.626143 ESP Fit Center **** is at 9.548078 3.593814 1.626143 ESP Fit Center **** is at 9.308124 3.936505 1.626143 ESP Fit Center **** is at 9.012307 4.232321 1.626143 ESP Fit Center **** is at 8.669617 4.472275 1.626143 ESP Fit Center **** is at 8.290465 4.649077 1.626143 ESP Fit Center **** is at 7.886372 4.757353 1.626143 ESP Fit Center **** is at 9.548078 1.193814 1.626143 ESP Fit Center **** is at 9.724879 1.572966 1.626143 ESP Fit Center **** is at 9.833155 1.977059 1.626143 ESP Fit Center **** is at 9.833155 2.393814 1.209387 ESP Fit Center **** is at 9.795172 2.815841 1.209387 ESP Fit Center **** is at 9.682444 3.224302 1.209387 ESP Fit Center **** is at 9.498594 3.606072 1.209387 ESP Fit Center **** is at 9.249530 3.948878 1.209387 ESP Fit Center **** is at 8.943259 4.241703 1.209387 ESP Fit Center **** is at 8.589624 4.475136 1.209387 ESP Fit Center **** is at 9.682444 1.563326 1.209387 ESP Fit Center **** is at 9.795172 1.971788 1.209387 ESP Fit Center **** is at 9.724879 2.393814 0.805294 ESP Fit Center **** is at 9.684124 2.820626 0.805294 ESP Fit Center **** is at 9.563330 3.232011 0.805294 ESP Fit Center **** is at 9.366864 3.613101 0.805294 ESP Fit Center **** is at 9.101827 3.950124 0.805294 Entering OneElI... OneElI was handed 2147243987 working-precision words. Calculate electrostatic properties NBasis = 374 MinDer = 0 MaxDer = 0 NGrid = 10889 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 2 Levels= 1 BoxLen= 22.46 SMaxX= 25.74 Shift= 11.624653 5.570987 4.426949 Box 1 Number 0 centers from 1 to 112: Box 2 Number 4 centers from 113 to 132: ShPair: Thresh= 1.00D-06 NBox= 2 BxSize= 2.25D+01 RnKept= 1.27D+01 NSMCal= 8778 NSMKep= 3200 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 34844800 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 178670194 working-precision words and 3200 shell-pairs PRISM was handed 178670194 working-precision words and 3200 shell-pairs PRISM was handed 178670194 working-precision words and 3200 shell-pairs PRISM was handed 178670194 working-precision words and 3200 shell-pairs PRISM was handed 178670194 working-precision words and 3200 shell-pairs PRISM was handed 178670194 working-precision words and 3200 shell-pairs PRISM was handed 178670194 working-precision words and 3200 shell-pairs PRISM was handed 178670194 working-precision words and 3200 shell-pairs PRISM was handed 178670194 working-precision words and 3200 shell-pairs PRISM was handed 178670194 working-precision words and 3200 shell-pairs PRISM was handed 178670194 working-precision words and 3200 shell-pairs PRISM was handed 178670194 working-precision words and 3200 shell-pairs IPart= 6 NShTot= 2907363 NBatch= 2746 AvBLen= 1058.8 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 7 NShTot= 2874696 NBatch= 2711 AvBLen= 1060.4 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 2929141 NBatch= 2758 AvBLen= 1062.1 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 3081587 NBatch= 2948 AvBLen= 1045.3 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 2711361 NBatch= 2491 AvBLen= 1088.5 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 2733139 NBatch= 2512 AvBLen= 1088.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 4 NShTot= 2940030 NBatch= 2770 AvBLen= 1061.4 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 9 NShTot= 2798473 NBatch= 2638 AvBLen= 1060.8 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 8 NShTot= 2842029 NBatch= 2679 AvBLen= 1060.9 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 2983586 NBatch= 2832 AvBLen= 1053.5 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 3005364 NBatch= 2853 AvBLen= 1053.4 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 3038031 NBatch= 2890 AvBLen= 1051.2 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 10845 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00125 RRMS= 0.07871: ESP charges: 1 1 C 0.435182 2 C -0.423547 3 O -0.724056 4 O -0.621678 5 C 0.951882 6 N -0.830324 7 C 0.855216 8 O -0.632455 9 N -0.227069 10 C 0.071662 11 C -0.434518 12 H 0.048174 13 H 0.118765 14 H 0.114885 15 H 0.413191 16 H 0.185543 17 C 0.182691 18 H 0.119598 19 H 0.466921 20 C -0.196891 21 C -0.229777 22 C 0.127744 23 C -0.230685 24 C -0.186978 25 H 0.152995 26 H 0.159024 27 C -0.153500 28 H 0.147454 29 H 0.165519 30 C 0.070908 31 C -0.037202 32 H 0.051190 33 H 0.058450 34 H -0.013799 35 H -0.011175 36 C 0.130629 37 H 0.038873 38 H 0.010099 39 H -0.021092 40 H -0.017988 41 C -0.271579 42 H 0.061806 43 H 0.059031 44 H 0.066881 Sum of ESP charges = -0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.483356 2 C -0.070298 3 O -0.257135 4 O -0.621678 5 C 0.951882 6 N -0.417134 7 C 0.855216 8 O -0.632455 9 N -0.227069 10 C 0.257205 11 C -0.434518 17 C 0.182691 20 C -0.043896 21 C -0.070753 22 C 0.127744 23 C -0.083231 24 C -0.021459 27 C -0.043860 30 C 0.045934 31 C 0.011770 36 C 0.091549 41 C -0.083861 Charge= -0.00000 Dipole= -1.7875 -5.0684 -0.0995 Tot= 5.3753 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.602918 2 Atom -14.717583 3 Atom -22.276560 4 Atom -22.340941 5 Atom -14.590756 6 Atom -18.284457 7 Atom -14.550540 8 Atom -22.336749 9 Atom -18.265127 10 Atom -14.649339 11 Atom -14.710368 12 Atom -1.096737 13 Atom -1.095268 14 Atom -1.090908 15 Atom -0.987853 16 Atom -1.059700 17 Atom -14.716521 18 Atom -1.094843 19 Atom -0.955083 20 Atom -14.730654 21 Atom -14.736040 22 Atom -14.727233 23 Atom -14.738247 24 Atom -14.735582 25 Atom -1.106266 26 Atom -1.109778 27 Atom -14.732085 28 Atom -1.113993 29 Atom -1.116361 30 Atom -14.739069 31 Atom -14.746791 32 Atom -1.128882 33 Atom -1.129341 34 Atom -1.137445 35 Atom -1.137476 36 Atom -14.743195 37 Atom -1.144315 38 Atom -1.141887 39 Atom -1.142834 40 Atom -1.142852 41 Atom -14.751149 42 Atom -1.138373 43 Atom -1.137802 44 Atom -1.137455 45 Fit -0.000839 46 Fit 0.060615 47 Fit 0.029948 48 Fit 0.018250 49 Fit 0.021507 50 Fit 0.032694 51 Fit 0.014077 52 Fit 0.017202 53 Fit 0.028381 54 Fit 0.024392 55 Fit 0.016392 56 Fit 0.018673 57 Fit 0.017263 58 Fit 0.015983 59 Fit 0.016714 60 Fit 0.017180 61 Fit 0.017258 62 Fit 0.015754 63 Fit 0.015753 64 Fit 0.015556 65 Fit 0.015895 66 Fit 0.016654 67 Fit 0.015143 68 Fit 0.015411 69 Fit 0.015005 70 Fit 0.014904 71 Fit -0.009553 72 Fit -0.016669 73 Fit -0.017960 74 Fit -0.010669 75 Fit 0.000054 76 Fit 0.002800 77 Fit -0.006935 78 Fit -0.021262 79 Fit -0.023802 80 Fit -0.022371 81 Fit -0.017387 82 Fit -0.009468 83 Fit 0.000757 84 Fit 0.011975 85 Fit 0.009113 86 Fit -0.003718 87 Fit -0.014485 88 Fit -0.023305 89 Fit -0.025344 90 Fit -0.024946 91 Fit -0.022223 92 Fit -0.017285 93 Fit -0.010569 94 Fit -0.002373 95 Fit 0.007449 96 Fit 0.019225 97 Fit 0.001428 98 Fit -0.010272 99 Fit -0.018452 100 Fit -0.022690 101 Fit -0.023707 102 Fit -0.023337 103 Fit -0.021684 104 Fit -0.018443 105 Fit -0.013293 106 Fit -0.006836 107 Fit 0.000247 108 Fit 0.007913 109 Fit 0.016346 110 Fit 0.026718 111 Fit 0.005637 112 Fit -0.006188 113 Fit -0.014582 114 Fit -0.019876 115 Fit -0.019138 116 Fit -0.018766 117 Fit -0.017697 118 Fit -0.016321 119 Fit -0.014451 120 Fit 0.013719 121 Fit 0.000159 122 Fit -0.009431 123 Fit -0.015416 124 Fit -0.018340 125 Fit -0.011945 126 Fit -0.009558 127 Fit 0.005698 128 Fit -0.004633 129 Fit -0.011088 130 Fit -0.013934 131 Fit -0.013798 132 Fit 0.015163 133 Fit 0.002474 134 Fit -0.005828 135 Fit -0.009788 136 Fit -0.009354 137 Fit 0.012291 138 Fit 0.001240 139 Fit -0.005167 140 Fit -0.006386 141 Fit 0.011906 142 Fit 0.002085 143 Fit -0.002849 144 Fit -0.001493 145 Fit 0.016984 146 Fit 0.006642 147 Fit 0.001125 148 Fit 0.002569 149 Fit 0.022397 150 Fit 0.012603 151 Fit 0.006607 152 Fit 0.006877 153 Fit 0.017631 154 Fit -0.030583 155 Fit -0.031858 156 Fit -0.022700 157 Fit -0.039258 158 Fit -0.041721 159 Fit -0.040196 160 Fit -0.034689 161 Fit -0.024609 162 Fit -0.031388 163 Fit -0.046477 164 Fit -0.048260 165 Fit -0.047884 166 Fit -0.045705 167 Fit -0.041134 168 Fit -0.032992 169 Fit -0.020651 170 Fit -0.030473 171 Fit -0.041230 172 Fit -0.052390 173 Fit -0.053252 174 Fit -0.052897 175 Fit -0.051745 176 Fit -0.049675 177 Fit -0.046014 178 Fit -0.039586 179 Fit -0.028968 180 Fit -0.013270 181 Fit -0.042374 182 Fit -0.049347 183 Fit -0.056953 184 Fit -0.056976 185 Fit -0.056258 186 Fit -0.055177 187 Fit -0.053735 188 Fit -0.051507 189 Fit -0.047584 190 Fit -0.040541 191 Fit -0.028370 192 Fit -0.050674 193 Fit -0.055409 194 Fit -0.059952 195 Fit -0.059388 196 Fit -0.058413 197 Fit -0.057315 198 Fit -0.056164 199 Fit -0.054741 200 Fit -0.052480 201 Fit -0.048413 202 Fit -0.041069 203 Fit -0.028175 204 Fit -0.056572 205 Fit -0.059526 206 Fit -0.061055 207 Fit -0.060294 208 Fit -0.059237 209 Fit -0.058146 210 Fit -0.057103 211 Fit -0.055951 212 Fit -0.054216 213 Fit -0.051063 214 Fit -0.045210 215 Fit -0.034700 216 Fit -0.016179 217 Fit -0.060876 218 Fit -0.059901 219 Fit -0.059571 220 Fit -0.058792 221 Fit -0.057900 222 Fit -0.057019 223 Fit -0.056032 224 Fit -0.054510 225 Fit -0.051681 226 Fit -0.046383 227 Fit -0.036943 228 Fit -0.020835 229 Fit -0.058713 230 Fit -0.056309 231 Fit -0.057219 232 Fit -0.057139 233 Fit -0.056664 234 Fit -0.056020 235 Fit -0.055124 236 Fit -0.053554 237 Fit -0.050553 238 Fit -0.045041 239 Fit -0.035654 240 Fit -0.020895 241 Fit -0.050544 242 Fit -0.053578 243 Fit -0.054512 244 Fit -0.054538 245 Fit -0.054041 246 Fit -0.052890 247 Fit -0.050507 248 Fit -0.045977 249 Fit -0.038263 250 Fit -0.026701 251 Fit -0.012188 252 Fit -0.049232 253 Fit -0.051254 254 Fit -0.051715 255 Fit -0.051145 256 Fit -0.049356 257 Fit -0.045709 258 Fit -0.039477 259 Fit -0.030434 260 Fit -0.019640 261 Fit -0.045240 262 Fit -0.047746 263 Fit -0.047850 264 Fit -0.045936 265 Fit -0.041557 266 Fit -0.034363 267 Fit -0.025017 268 Fit -0.014904 269 Fit -0.034682 270 Fit -0.041559 271 Fit -0.043283 272 Fit -0.041338 273 Fit -0.035935 274 Fit -0.027718 275 Fit -0.018516 276 Fit -0.032384 277 Fit -0.037198 278 Fit -0.033503 279 Fit -0.025086 280 Fit -0.020090 281 Fit -0.022953 282 Fit -0.029535 283 Fit 0.006264 284 Fit 0.001938 285 Fit 0.001330 286 Fit 0.004113 287 Fit 0.009969 288 Fit 0.005429 289 Fit -0.004324 290 Fit -0.007151 291 Fit -0.006181 292 Fit -0.002206 293 Fit -0.000705 294 Fit -0.012444 295 Fit -0.017919 296 Fit -0.019918 297 Fit -0.016493 298 Fit -0.009135 299 Fit -0.006721 300 Fit -0.022413 301 Fit -0.003294 302 Fit 0.017405 303 Fit 0.014880 304 Fit -0.005511 305 Fit 0.003656 306 Fit 0.009753 307 Fit 0.013304 308 Fit 0.012216 309 Fit 0.009669 310 Fit 0.008979 311 Fit -0.003653 312 Fit -0.010181 313 Fit -0.002169 314 Fit 0.006713 315 Fit 0.008939 316 Fit 0.005624 317 Fit 0.001800 318 Fit 0.003048 319 Fit 0.001420 320 Fit -0.001615 321 Fit 0.000101 322 Fit 0.007458 323 Fit 0.002366 324 Fit -0.002168 325 Fit -0.003284 326 Fit -0.001902 327 Fit -0.000716 328 Fit 0.001056 329 Fit 0.012685 330 Fit 0.007574 331 Fit -0.000637 332 Fit -0.003899 333 Fit -0.002476 334 Fit 0.000738 335 Fit 0.002219 336 Fit 0.000298 337 Fit 0.019120 338 Fit -0.004923 339 Fit 0.000269 340 Fit 0.001408 341 Fit -0.004675 342 Fit -0.000676 343 Fit -0.004919 344 Fit 0.004748 345 Fit 0.000524 346 Fit -0.003879 347 Fit 0.004456 348 Fit 0.008164 349 Fit 0.006706 350 Fit 0.003530 351 Fit 0.003349 352 Fit 0.022916 353 Fit 0.022693 354 Fit -0.001528 355 Fit 0.001453 356 Fit 0.002532 357 Fit 0.002192 358 Fit 0.004287 359 Fit 0.009331 360 Fit 0.013449 361 Fit 0.015487 362 Fit 0.001140 363 Fit 0.001251 364 Fit 0.003271 365 Fit 0.007374 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