Entering Gaussian System, Link 0=g16 Input=charges.com Output=charges.log Initial command: /home/ros/g16/l1.exe "/home/ros/tmp/Gau-2156041.inp" -scrdir="/home/ros/tmp/" Entering Link 1 = /home/ros/g16/l1.exe PID= 2156043. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 16, Revision A.03, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016. ****************************************** Gaussian 16: ES64L-G16RevA.03 25-Dec-2016 3-May-2024 ****************************************** %chk=gau.chk %mem=16GB %nprocshared=12 Will use up to 12 processors via shared memory. ------------------------------------------------------------ #HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) opt ------------------------------------------------------------ 1/18=20,19=15,38=1/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=9,25=1,30=1,71=1/1,2,3; 4//1; 5/5=2,32=2,38=5/2; 6/7=2,8=2,9=2,10=2,15=8,20=1,28=1,33=2,42=6/1,2; 7//1,2,3,16; 1/18=20,19=15/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=9,25=1,30=1,71=1/1,2,3; 4/5=5,16=3,69=1/1; 5/5=2,32=2,38=5/2; 7//1,2,3,16; 1/18=20,19=15/3(-5); 2/9=110/2; 6/7=2,8=2,9=2,10=2,15=8,19=2,20=1,28=1,33=2,42=6/1,2; 99/9=1/99; --------------------- remark line goes here --------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 7.065 -4.948 2.003 C 7.275 -4.807 3.517 O 6.873 -6.329 1.7 N 7.75 0.05 0.343 O 3.173 -0.944 0.252 C 4.341 -1.279 0.477 C 4.663 -2.578 0.958 N 3.801 -3.654 1.255 C 4.561 -4.608 1.658 N 5.909 -4.188 1.632 C 5.904 -2.909 1.189 N 6.966 -2.038 0.988 C 6.711 -0.857 0.555 N 5.36 -0.44 0.281 H 7.951 -4.552 1.487 H 8.161 -5.384 3.818 H 7.424 -3.747 3.767 C 8.955 -0.258 0.602 Br 3.939 -6.321 2.21 H 5.185 0.48 -0.054 H 6.391 -5.189 4.046 H 7.671 -6.841 1.981 N 9.962 0.676 0.377 H 9.194 -1.216 0.989 C 9.63 1.963 -0.156 C 11.322 0.352 0.678 H 10.536 2.574 -0.279 H 8.924 2.459 0.525 H 9.122 1.83 -1.122 H 11.977 1.209 0.461 H 11.623 -0.519 0.08 H 11.397 0.07 1.738 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.535 estimate D2E/DX2 ! ! R2 R(1,3) 1.4268 estimate D2E/DX2 ! ! R3 R(1,10) 1.4323 estimate D2E/DX2 ! ! R4 R(1,15) 1.0991 estimate D2E/DX2 ! ! R5 R(2,16) 1.0993 estimate D2E/DX2 ! ! R6 R(2,17) 1.0992 estimate D2E/DX2 ! ! R7 R(2,21) 1.0987 estimate D2E/DX2 ! ! R8 R(3,22) 0.9889 estimate D2E/DX2 ! ! R9 R(4,13) 1.3954 estimate D2E/DX2 ! ! R10 R(4,18) 1.2704 estimate D2E/DX2 ! ! R11 R(5,6) 1.2357 estimate D2E/DX2 ! ! R12 R(6,7) 1.4221 estimate D2E/DX2 ! ! R13 R(6,14) 1.3344 estimate D2E/DX2 ! ! R14 R(7,8) 1.4103 estimate D2E/DX2 ! ! R15 R(7,11) 1.305 estimate D2E/DX2 ! ! R16 R(8,9) 1.2846 estimate D2E/DX2 ! ! R17 R(9,10) 1.4122 estimate D2E/DX2 ! ! R18 R(9,19) 1.9042 estimate D2E/DX2 ! ! R19 R(10,11) 1.3536 estimate D2E/DX2 ! ! R20 R(11,12) 1.3881 estimate D2E/DX2 ! ! R21 R(12,13) 1.2835 estimate D2E/DX2 ! ! R22 R(13,14) 1.4402 estimate D2E/DX2 ! ! R23 R(14,20) 0.9946 estimate D2E/DX2 ! ! R24 R(18,23) 1.3918 estimate D2E/DX2 ! ! R25 R(18,24) 1.0605 estimate D2E/DX2 ! ! R26 R(23,25) 1.432 estimate D2E/DX2 ! ! R27 R(23,26) 1.4301 estimate D2E/DX2 ! ! R28 R(25,27) 1.0997 estimate D2E/DX2 ! ! R29 R(25,28) 1.0992 estimate D2E/DX2 ! ! R30 R(25,29) 1.0995 estimate D2E/DX2 ! ! R31 R(26,30) 1.1003 estimate D2E/DX2 ! ! R32 R(26,31) 1.0986 estimate D2E/DX2 ! ! R33 R(26,32) 1.0994 estimate D2E/DX2 ! ! A1 A(2,1,3) 108.4679 estimate D2E/DX2 ! ! A2 A(2,1,10) 108.4908 estimate D2E/DX2 ! ! A3 A(2,1,15) 108.643 estimate D2E/DX2 ! ! A4 A(3,1,10) 110.4844 estimate D2E/DX2 ! ! A5 A(3,1,15) 110.9463 estimate D2E/DX2 ! ! A6 A(10,1,15) 109.7436 estimate D2E/DX2 ! ! A7 A(1,2,16) 109.3968 estimate D2E/DX2 ! ! A8 A(1,2,17) 109.3566 estimate D2E/DX2 ! ! A9 A(1,2,21) 109.4432 estimate D2E/DX2 ! ! A10 A(16,2,17) 109.5493 estimate D2E/DX2 ! ! A11 A(16,2,21) 109.5194 estimate D2E/DX2 ! ! A12 A(17,2,21) 109.5618 estimate D2E/DX2 ! ! A13 A(1,3,22) 109.4018 estimate D2E/DX2 ! ! A14 A(13,4,18) 121.1776 estimate D2E/DX2 ! ! A15 A(5,6,7) 121.5479 estimate D2E/DX2 ! ! A16 A(5,6,14) 121.6394 estimate D2E/DX2 ! ! A17 A(7,6,14) 116.8127 estimate D2E/DX2 ! ! A18 A(6,7,8) 129.0298 estimate D2E/DX2 ! ! A19 A(6,7,11) 120.4556 estimate D2E/DX2 ! ! A20 A(8,7,11) 110.5144 estimate D2E/DX2 ! ! A21 A(7,8,9) 105.7275 estimate D2E/DX2 ! ! A22 A(8,9,10) 109.7613 estimate D2E/DX2 ! ! A23 A(8,9,19) 124.4564 estimate D2E/DX2 ! ! A24 A(10,9,19) 125.7818 estimate D2E/DX2 ! ! A25 A(1,10,9) 127.4327 estimate D2E/DX2 ! ! A26 A(1,10,11) 126.0953 estimate D2E/DX2 ! ! A27 A(9,10,11) 106.4713 estimate D2E/DX2 ! ! A28 A(7,11,10) 107.5247 estimate D2E/DX2 ! ! A29 A(7,11,12) 122.872 estimate D2E/DX2 ! ! A30 A(10,11,12) 129.6033 estimate D2E/DX2 ! ! A31 A(11,12,13) 118.3086 estimate D2E/DX2 ! ! A32 A(4,13,12) 120.0943 estimate D2E/DX2 ! ! A33 A(4,13,14) 118.775 estimate D2E/DX2 ! ! A34 A(12,13,14) 121.1306 estimate D2E/DX2 ! ! A35 A(6,14,13) 120.4203 estimate D2E/DX2 ! ! A36 A(6,14,20) 119.7808 estimate D2E/DX2 ! ! A37 A(13,14,20) 119.7987 estimate D2E/DX2 ! ! A38 A(4,18,23) 119.3815 estimate D2E/DX2 ! ! A39 A(4,18,24) 120.4752 estimate D2E/DX2 ! ! A40 A(23,18,24) 120.143 estimate D2E/DX2 ! ! A41 A(18,23,25) 119.7062 estimate D2E/DX2 ! ! A42 A(18,23,26) 120.1329 estimate D2E/DX2 ! ! A43 A(25,23,26) 120.1609 estimate D2E/DX2 ! ! A44 A(23,25,27) 110.4857 estimate D2E/DX2 ! ! A45 A(23,25,28) 108.8964 estimate D2E/DX2 ! ! A46 A(23,25,29) 108.9905 estimate D2E/DX2 ! ! A47 A(27,25,28) 110.3498 estimate D2E/DX2 ! ! A48 A(27,25,29) 110.4625 estimate D2E/DX2 ! ! A49 A(28,25,29) 107.5867 estimate D2E/DX2 ! ! A50 A(23,26,30) 110.3746 estimate D2E/DX2 ! ! A51 A(23,26,31) 109.0031 estimate D2E/DX2 ! ! A52 A(23,26,32) 109.0208 estimate D2E/DX2 ! ! A53 A(30,26,31) 110.3093 estimate D2E/DX2 ! ! A54 A(30,26,32) 110.4463 estimate D2E/DX2 ! ! A55 A(31,26,32) 107.624 estimate D2E/DX2 ! ! D1 D(3,1,2,16) 60.0531 estimate D2E/DX2 ! ! D2 D(3,1,2,17) -179.9668 estimate D2E/DX2 ! ! D3 D(3,1,2,21) -59.9432 estimate D2E/DX2 ! ! D4 D(10,1,2,16) -179.899 estimate D2E/DX2 ! ! D5 D(10,1,2,17) -59.9189 estimate D2E/DX2 ! ! D6 D(10,1,2,21) 60.1047 estimate D2E/DX2 ! ! D7 D(15,1,2,16) -60.6406 estimate D2E/DX2 ! ! D8 D(15,1,2,17) 59.3395 estimate D2E/DX2 ! ! D9 D(15,1,2,21) 179.3632 estimate D2E/DX2 ! ! D10 D(2,1,3,22) -59.9244 estimate D2E/DX2 ! ! D11 D(10,1,3,22) -178.7213 estimate D2E/DX2 ! ! D12 D(15,1,3,22) 59.3319 estimate D2E/DX2 ! ! D13 D(2,1,10,9) -85.9627 estimate D2E/DX2 ! ! D14 D(2,1,10,11) 93.7167 estimate D2E/DX2 ! ! D15 D(3,1,10,9) 32.8203 estimate D2E/DX2 ! ! D16 D(3,1,10,11) -147.5004 estimate D2E/DX2 ! ! D17 D(15,1,10,9) 155.4725 estimate D2E/DX2 ! ! D18 D(15,1,10,11) -24.8481 estimate D2E/DX2 ! ! D19 D(18,4,13,12) -1.7336 estimate D2E/DX2 ! ! D20 D(18,4,13,14) 178.1818 estimate D2E/DX2 ! ! D21 D(13,4,18,23) -179.9619 estimate D2E/DX2 ! ! D22 D(13,4,18,24) -0.1547 estimate D2E/DX2 ! ! D23 D(5,6,7,8) -0.1772 estimate D2E/DX2 ! ! D24 D(5,6,7,11) -179.9714 estimate D2E/DX2 ! ! D25 D(14,6,7,8) 179.8002 estimate D2E/DX2 ! ! D26 D(14,6,7,11) 0.0059 estimate D2E/DX2 ! ! D27 D(5,6,14,13) 179.8475 estimate D2E/DX2 ! ! D28 D(5,6,14,20) 0.0213 estimate D2E/DX2 ! ! D29 D(7,6,14,13) -0.1299 estimate D2E/DX2 ! ! D30 D(7,6,14,20) -179.956 estimate D2E/DX2 ! ! D31 D(6,7,8,9) -179.882 estimate D2E/DX2 ! ! D32 D(11,7,8,9) -0.0714 estimate D2E/DX2 ! ! D33 D(6,7,11,10) -179.9416 estimate D2E/DX2 ! ! D34 D(6,7,11,12) 0.0903 estimate D2E/DX2 ! ! D35 D(8,7,11,10) 0.2291 estimate D2E/DX2 ! ! D36 D(8,7,11,12) -179.739 estimate D2E/DX2 ! ! D37 D(7,8,9,10) -0.112 estimate D2E/DX2 ! ! D38 D(7,8,9,19) 179.6424 estimate D2E/DX2 ! ! D39 D(8,9,10,1) 179.9808 estimate D2E/DX2 ! ! D40 D(8,9,10,11) 0.2509 estimate D2E/DX2 ! ! D41 D(19,9,10,1) 0.2304 estimate D2E/DX2 ! ! D42 D(19,9,10,11) -179.4994 estimate D2E/DX2 ! ! D43 D(1,10,11,7) 179.9788 estimate D2E/DX2 ! ! D44 D(1,10,11,12) -0.056 estimate D2E/DX2 ! ! D45 D(9,10,11,7) -0.2867 estimate D2E/DX2 ! ! D46 D(9,10,11,12) 179.6786 estimate D2E/DX2 ! ! D47 D(7,11,12,13) -0.0529 estimate D2E/DX2 ! ! D48 D(10,11,12,13) 179.9865 estimate D2E/DX2 ! ! D49 D(11,12,13,4) 179.8374 estimate D2E/DX2 ! ! D50 D(11,12,13,14) -0.076 estimate D2E/DX2 ! ! D51 D(4,13,14,6) -179.7429 estimate D2E/DX2 ! ! D52 D(4,13,14,20) 0.0832 estimate D2E/DX2 ! ! D53 D(12,13,14,6) 0.1716 estimate D2E/DX2 ! ! D54 D(12,13,14,20) 179.9977 estimate D2E/DX2 ! ! D55 D(4,18,23,25) -0.696 estimate D2E/DX2 ! ! D56 D(4,18,23,26) 179.2474 estimate D2E/DX2 ! ! D57 D(24,18,23,25) 179.4961 estimate D2E/DX2 ! ! D58 D(24,18,23,26) -0.5605 estimate D2E/DX2 ! ! D59 D(18,23,25,27) -179.594 estimate D2E/DX2 ! ! D60 D(18,23,25,28) 59.0564 estimate D2E/DX2 ! ! D61 D(18,23,25,29) -58.0436 estimate D2E/DX2 ! ! D62 D(26,23,25,27) 0.4627 estimate D2E/DX2 ! ! D63 D(26,23,25,28) -120.887 estimate D2E/DX2 ! ! D64 D(26,23,25,29) 122.013 estimate D2E/DX2 ! ! D65 D(18,23,26,30) -178.7359 estimate D2E/DX2 ! ! D66 D(18,23,26,31) 59.9656 estimate D2E/DX2 ! ! D67 D(18,23,26,32) -57.2562 estimate D2E/DX2 ! ! D68 D(25,23,26,30) 1.2072 estimate D2E/DX2 ! ! D69 D(25,23,26,31) -120.0913 estimate D2E/DX2 ! ! D70 D(25,23,26,32) 122.687 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= 168 maximum allowed number of steps= 192. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.065000 -4.948000 2.003000 2 6 0 7.275000 -4.807000 3.517000 3 8 0 6.873000 -6.329000 1.700000 4 7 0 7.750000 0.050000 0.343000 5 8 0 3.173000 -0.944000 0.252000 6 6 0 4.341000 -1.279000 0.477000 7 6 0 4.663000 -2.578000 0.958000 8 7 0 3.801000 -3.654000 1.255000 9 6 0 4.561000 -4.608000 1.658000 10 7 0 5.909000 -4.188000 1.632000 11 6 0 5.904000 -2.909000 1.189000 12 7 0 6.966000 -2.038000 0.988000 13 6 0 6.711000 -0.857000 0.555000 14 7 0 5.360000 -0.440000 0.281000 15 1 0 7.951000 -4.552000 1.487000 16 1 0 8.161000 -5.384000 3.818000 17 1 0 7.424000 -3.747000 3.767000 18 6 0 8.955000 -0.258000 0.602000 19 35 0 3.939000 -6.321000 2.210000 20 1 0 5.185000 0.480000 -0.054000 21 1 0 6.391000 -5.189000 4.046000 22 1 0 7.671000 -6.841000 1.981000 23 7 0 9.962000 0.676000 0.377000 24 1 0 9.194000 -1.216000 0.989000 25 6 0 9.630000 1.963000 -0.156000 26 6 0 11.322000 0.352000 0.678000 27 1 0 10.536000 2.574000 -0.279000 28 1 0 8.924000 2.459000 0.525000 29 1 0 9.122000 1.830000 -1.122000 30 1 0 11.977000 1.209000 0.461000 31 1 0 11.623000 -0.519000 0.080000 32 1 0 11.397000 0.070000 1.738000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.534984 0.000000 3 O 1.426827 2.404075 0.000000 4 N 5.310822 5.821542 6.580442 0.000000 5 O 5.851981 6.512250 6.692154 4.684575 0.000000 6 C 4.817719 5.504247 5.780074 3.661349 1.235748 7 C 3.532496 4.282460 4.416409 4.100509 2.321313 8 N 3.589935 4.302875 4.097662 5.490534 2.957109 9 C 2.550420 3.295645 2.882525 5.796198 4.162725 10 N 1.432333 2.408805 2.349000 4.797025 4.462469 11 C 2.483554 3.301761 3.591167 3.588748 3.492500 12 N 3.083525 3.762803 4.350664 2.321729 4.015642 13 C 4.354113 4.969310 5.592857 1.395390 3.552017 14 N 5.118044 5.762778 6.243641 2.440501 2.244510 15 H 1.099121 2.154739 2.089302 4.746319 6.113278 16 H 2.164610 1.099330 2.652903 6.463196 7.570343 17 H 2.164019 1.099227 3.353031 5.123208 6.187329 18 C 5.246999 5.658005 6.511326 1.270421 5.833063 19 Br 3.420505 3.889645 2.978006 7.655002 5.773443 20 H 6.101543 6.713606 7.231068 2.630919 2.483859 21 H 2.164765 1.098736 2.652478 6.557912 6.539877 22 H 1.987755 2.579393 0.988893 7.083443 7.615514 23 N 6.531911 6.866066 7.769316 2.299125 6.980727 24 H 4.414596 4.792559 5.659976 2.026131 6.072034 25 C 7.681304 8.054182 8.933255 2.728181 7.092952 26 C 6.925870 7.145167 8.091591 3.600363 8.262402 27 H 8.592779 8.917561 9.828399 3.810414 8.177533 28 H 7.778433 8.029073 9.100339 2.686016 6.687970 29 H 7.741974 8.305510 8.921377 2.682724 6.706232 30 H 8.025843 8.224366 9.187349 4.384602 9.065843 31 H 6.639980 7.007497 7.677434 3.923399 8.462429 32 H 6.634514 6.628790 7.836786 3.904745 8.418466 6 7 8 9 10 6 C 0.000000 7 C 1.422127 0.000000 8 N 2.556855 1.410329 0.000000 9 C 3.539124 2.149722 1.284572 0.000000 10 N 3.500704 2.144503 2.207023 1.412154 0.000000 11 C 2.367871 1.304992 2.232037 2.215900 1.353556 12 N 2.779897 2.365652 3.563702 3.582991 2.480823 13 C 2.408541 2.705283 4.096500 4.461963 3.591475 14 N 1.334428 2.348442 3.702560 4.461699 4.021704 15 H 4.976417 3.871364 4.252379 3.394772 2.079251 16 H 6.527305 5.318763 5.345229 4.269400 3.358648 17 H 5.140040 4.108548 4.409640 3.658684 2.654794 18 C 4.727268 4.891871 6.206685 6.272549 5.077787 19 Br 5.346649 4.012696 2.836187 1.904195 2.960519 20 H 2.021974 3.263126 4.551801 5.404449 5.015675 21 H 5.677003 4.397619 4.105363 3.064148 2.657390 22 H 6.654830 5.316744 5.065663 3.842228 3.203881 23 N 5.952114 6.245437 7.581405 7.663708 6.454481 24 H 4.880340 4.731381 5.924445 5.780823 4.476322 25 C 6.235766 6.821493 8.216986 8.494904 7.407941 26 C 7.171814 7.280493 8.540867 8.442341 7.128975 27 H 7.334519 7.909829 9.300611 9.541159 8.413423 28 H 5.914291 6.611730 8.009170 8.382240 7.382295 29 H 5.922891 6.606023 8.002339 8.365343 7.356916 30 H 8.031120 8.251241 9.546003 9.500913 8.204845 31 H 7.332307 7.311085 8.508380 8.311549 6.965634 32 H 7.293631 7.277847 8.473528 8.283778 6.946938 11 12 13 14 15 11 C 0.000000 12 N 1.388123 0.000000 13 C 2.294321 1.283462 0.000000 14 N 2.686329 2.373329 1.440197 0.000000 15 H 2.641678 2.745801 4.007399 5.007620 0.000000 16 H 4.258088 4.542317 5.765709 6.693213 2.483925 17 H 3.107849 3.294433 4.379202 5.229583 2.474703 18 C 4.084234 2.696946 2.323047 3.613888 4.497741 19 Br 4.067605 5.385174 6.346519 6.350310 4.443899 20 H 3.680670 3.255464 2.118284 0.994610 5.945289 21 H 3.687549 4.428407 5.572765 6.147454 3.063960 22 H 4.382942 4.954986 6.226021 7.014522 2.358380 23 N 5.475302 4.088414 3.598718 4.736357 5.710359 24 H 3.705449 2.374799 2.546081 3.975298 3.594711 25 C 6.279211 4.941015 4.120495 4.919175 6.925584 26 C 6.344286 4.978246 4.768452 6.027464 6.005609 27 H 7.326236 5.968311 5.205568 6.015710 7.783371 28 H 6.194895 4.926575 3.986744 4.600634 7.143269 29 H 6.176922 4.905289 3.980605 4.612370 6.993429 30 H 7.373550 5.994235 5.657557 6.821751 7.102850 31 H 6.296741 4.981915 4.946475 6.266723 5.632790 32 H 6.272869 4.963862 4.921119 6.231237 5.770685 16 17 18 19 20 16 H 0.000000 17 H 1.795979 0.000000 18 C 6.103193 4.953212 0.000000 19 Br 4.613991 4.603797 8.031556 0.000000 20 H 7.631216 6.122148 3.897163 7.275425 0.000000 21 H 1.795246 1.795632 6.538348 3.265674 7.099436 22 H 2.395312 3.581011 6.847349 3.775005 7.994902 23 N 7.197755 6.123436 1.391772 9.412461 4.800407 24 H 5.142232 4.154052 1.060497 7.427442 4.476198 25 C 8.481099 7.270520 2.441932 10.325216 4.686973 26 C 7.263141 6.445008 2.445519 10.068994 6.181826 27 H 9.260443 8.124635 3.360944 11.350619 5.750536 28 H 8.540414 7.160656 2.718268 10.236105 4.269872 29 H 8.795960 7.608446 2.712897 10.217853 4.296870 30 H 8.324599 7.498092 3.362210 11.152100 6.850396 31 H 7.044595 6.453337 2.731086 9.861235 6.516425 32 H 6.674145 5.871206 2.713198 9.833078 6.478295 21 22 23 24 25 21 H 0.000000 22 H 2.937980 0.000000 23 N 7.785360 8.020398 0.000000 24 H 5.743412 5.911363 2.131674 0.000000 25 C 8.905000 9.269027 1.432020 3.406929 0.000000 26 C 8.146218 8.171099 1.430097 2.661528 2.480673 27 H 9.805652 10.097428 2.088592 4.215790 1.099675 28 H 8.792351 9.496312 2.068438 3.714003 1.099187 29 H 9.134164 9.323103 2.069859 3.706699 1.099504 30 H 9.219003 9.254974 2.085994 3.728874 2.541184 31 H 8.056791 7.694140 2.067645 2.685541 3.191875 32 H 7.618660 7.855192 2.068522 2.658572 3.208267 26 27 28 29 30 26 C 0.000000 27 H 2.543802 0.000000 28 H 3.195819 1.805044 0.000000 29 H 3.203823 1.806538 1.774107 0.000000 30 H 1.100256 2.118326 3.299607 3.323034 0.000000 31 H 1.098565 3.298045 4.043651 3.635603 1.804567 32 H 1.099431 3.328607 3.646151 4.056208 1.806779 31 32 31 H 0.000000 32 H 1.773968 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.270538 -1.917741 -0.149035 2 6 0 -1.368305 -2.472423 1.278882 3 8 0 -2.402143 -2.373100 -0.889272 4 7 0 3.419922 0.570148 -0.027255 5 8 0 0.015591 3.784788 0.120633 6 6 0 0.377106 2.604453 0.064137 7 6 0 -0.564137 1.539511 0.015092 8 7 0 -1.973206 1.598529 0.023423 9 6 0 -2.373124 0.379090 -0.032793 10 7 0 -1.258844 -0.487082 -0.080816 11 6 0 -0.158645 0.300509 -0.043690 12 7 0 1.183616 -0.052980 -0.060026 13 6 0 2.060208 0.883472 -0.016225 14 7 0 1.668274 2.267883 0.046693 15 1 0 -0.335032 -2.275535 -0.601672 16 1 0 -1.376576 -3.571168 1.243974 17 1 0 -0.502589 -2.129482 1.863028 18 6 0 3.816632 -0.636577 -0.047435 19 35 0 -4.200537 -0.156117 -0.041166 20 1 0 2.364286 2.977609 0.079958 21 1 0 -2.294472 -2.113052 1.748231 22 1 0 -2.405696 -3.361793 -0.908836 23 7 0 5.181956 -0.906444 -0.057024 24 1 0 3.116325 -1.432932 -0.053851 25 6 0 6.119315 0.176161 -0.059174 26 6 0 5.646390 -2.259011 -0.063473 27 1 0 7.149919 -0.207131 -0.074340 28 1 0 5.953732 0.792181 0.835988 29 1 0 5.931943 0.809918 -0.937896 30 1 0 6.746194 -2.286462 -0.047962 31 1 0 5.264998 -2.763908 -0.961507 32 1 0 5.236748 -2.782701 0.812136 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5804006 0.1397630 0.1149855 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1825.4343370847 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 5.86D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.52032581 A.U. after 15 cycles NFock= 15 Conv=0.88D-08 -V/T= 2.0039 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) (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) The electronic state is 1-A. Alpha occ. eigenvalues -- -490.07473 -64.48600 -58.62520 -58.62314 -58.62308 Alpha occ. eigenvalues -- -20.58860 -20.49801 -15.63873 -15.62712 -15.61747 Alpha occ. eigenvalues -- -15.57408 -15.56901 -15.56391 -11.39151 -11.35865 Alpha occ. eigenvalues -- -11.35554 -11.35009 -11.34395 -11.31406 -11.29156 Alpha occ. eigenvalues -- -11.27661 -11.23779 -11.23755 -9.73379 -7.48369 Alpha occ. eigenvalues -- -7.47372 -7.47315 -3.22291 -3.21831 -3.21766 Alpha occ. eigenvalues -- -3.20602 -3.20601 -1.40266 -1.38075 -1.35284 Alpha occ. eigenvalues -- -1.33256 -1.29774 -1.22299 -1.21058 -1.19212 Alpha occ. eigenvalues -- -1.07418 -1.02749 -1.00811 -1.00144 -0.96535 Alpha occ. eigenvalues -- -0.90965 -0.88359 -0.87318 -0.79654 -0.78292 Alpha occ. eigenvalues -- -0.76498 -0.75725 -0.73398 -0.70555 -0.69772 Alpha occ. eigenvalues -- -0.67953 -0.67115 -0.65697 -0.64442 -0.63300 Alpha occ. eigenvalues -- -0.62265 -0.59915 -0.58930 -0.58481 -0.57845 Alpha occ. eigenvalues -- -0.56662 -0.56073 -0.55577 -0.55449 -0.53933 Alpha occ. eigenvalues -- -0.53228 -0.48360 -0.47847 -0.47048 -0.44939 Alpha occ. eigenvalues -- -0.44301 -0.42419 -0.40938 -0.40732 -0.40088 Alpha occ. eigenvalues -- -0.38788 -0.37002 -0.30205 Alpha virt. eigenvalues -- 0.08835 0.16229 0.16367 0.18073 0.19276 Alpha virt. eigenvalues -- 0.21049 0.23349 0.24633 0.25082 0.25206 Alpha virt. eigenvalues -- 0.26698 0.27436 0.30034 0.30238 0.30686 Alpha virt. eigenvalues -- 0.30949 0.31088 0.31428 0.32510 0.34178 Alpha virt. eigenvalues -- 0.36496 0.37505 0.39135 0.39696 0.40702 Alpha virt. eigenvalues -- 0.41782 0.43732 0.44816 0.45625 0.47595 Alpha virt. eigenvalues -- 0.48461 0.49671 0.51511 0.53871 0.56990 Alpha virt. eigenvalues -- 0.59743 0.60848 0.62835 0.65208 0.65650 Alpha virt. eigenvalues -- 0.65847 0.66550 0.66772 0.67805 0.69080 Alpha virt. eigenvalues -- 0.69716 0.70849 0.71783 0.72670 0.73219 Alpha virt. eigenvalues -- 0.74917 0.76029 0.76686 0.78693 0.80401 Alpha virt. eigenvalues -- 0.80893 0.81020 0.83857 0.84162 0.84812 Alpha virt. eigenvalues -- 0.85332 0.87086 0.87438 0.88195 0.90253 Alpha virt. eigenvalues -- 0.91785 0.92415 0.93414 0.95922 0.97585 Alpha virt. eigenvalues -- 0.99235 0.99426 1.00284 1.02339 1.02465 Alpha virt. eigenvalues -- 1.03736 1.04408 1.06064 1.07150 1.07264 Alpha virt. eigenvalues -- 1.08946 1.09265 1.09313 1.10179 1.11387 Alpha virt. eigenvalues -- 1.12349 1.13435 1.13956 1.14589 1.14725 Alpha virt. eigenvalues -- 1.15767 1.16177 1.16583 1.16946 1.17463 Alpha virt. eigenvalues -- 1.18216 1.18622 1.20618 1.21578 1.23001 Alpha virt. eigenvalues -- 1.24134 1.25313 1.25765 1.28184 1.29397 Alpha virt. eigenvalues -- 1.30609 1.31099 1.32884 1.35720 1.36412 Alpha virt. eigenvalues -- 1.38889 1.41563 1.43958 1.45877 1.48563 Alpha virt. eigenvalues -- 1.49520 1.53496 1.54445 1.57253 1.57441 Alpha virt. eigenvalues -- 1.58244 1.59195 1.60282 1.61355 1.61981 Alpha virt. eigenvalues -- 1.63890 1.65634 1.67773 1.68468 1.69736 Alpha virt. eigenvalues -- 1.70746 1.72531 1.76334 1.79974 1.81853 Alpha virt. eigenvalues -- 1.82320 1.83235 1.85748 1.86582 1.87236 Alpha virt. eigenvalues -- 1.90598 1.92866 1.98447 1.99457 2.01511 Alpha virt. eigenvalues -- 2.05417 2.07562 2.08087 2.09370 2.10481 Alpha virt. eigenvalues -- 2.13720 2.14462 2.15769 2.17752 2.18268 Alpha virt. eigenvalues -- 2.18589 2.20254 2.23571 2.24872 2.25258 Alpha virt. eigenvalues -- 2.26249 2.27326 2.29139 2.30759 2.34342 Alpha virt. eigenvalues -- 2.35385 2.36426 2.37813 2.38924 2.40333 Alpha virt. eigenvalues -- 2.44864 2.45555 2.47484 2.48404 2.49676 Alpha virt. eigenvalues -- 2.49792 2.51290 2.53130 2.55551 2.55819 Alpha virt. eigenvalues -- 2.58141 2.58713 2.60002 2.62524 2.62997 Alpha virt. eigenvalues -- 2.66080 2.67339 2.68409 2.69484 2.70823 Alpha virt. eigenvalues -- 2.72020 2.73494 2.74343 2.79676 2.81492 Alpha virt. eigenvalues -- 2.83696 2.86253 2.88586 2.90421 2.91798 Alpha virt. eigenvalues -- 2.92090 2.94783 2.96773 3.02061 3.04151 Alpha virt. eigenvalues -- 3.06118 3.07944 3.09401 3.11220 3.13806 Alpha virt. eigenvalues -- 3.15995 3.19610 3.21930 3.22432 3.30937 Alpha virt. eigenvalues -- 3.34652 3.36363 3.40752 3.52076 3.57666 Alpha virt. eigenvalues -- 3.60514 3.75798 3.94020 4.21975 4.35907 Alpha virt. eigenvalues -- 4.38668 4.46525 4.50212 4.54983 4.57871 Alpha virt. eigenvalues -- 4.64685 4.65247 4.69569 4.73225 4.74553 Alpha virt. eigenvalues -- 4.81801 4.89262 4.93649 4.97265 5.11239 Alpha virt. eigenvalues -- 5.26947 9.29994 75.00373 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.573876 0.377326 0.224679 -0.000005 0.000001 0.000060 2 C 0.377326 5.208071 -0.065481 0.000001 -0.000000 0.000002 3 O 0.224679 -0.065481 8.413986 -0.000000 -0.000000 0.000000 4 N -0.000005 0.000001 -0.000000 7.022722 -0.000034 -0.000271 5 O 0.000001 -0.000000 -0.000000 -0.000034 8.189757 0.643752 6 C 0.000060 0.000002 0.000000 -0.000271 0.643752 4.071013 7 C 0.006710 -0.000341 -0.000061 0.000058 -0.104717 0.323591 8 N 0.002810 -0.000052 -0.000059 0.000001 -0.001428 -0.031502 9 C -0.023042 -0.001490 -0.001499 0.000002 0.000158 0.003051 10 N 0.187448 -0.092391 -0.039621 -0.000069 -0.000050 0.003198 11 C -0.029582 -0.000678 0.000694 0.001742 0.004787 -0.061995 12 N -0.000883 -0.000198 0.000037 -0.109206 0.000093 -0.009121 13 C -0.000087 0.000001 -0.000000 0.416018 0.001486 -0.033898 14 N 0.000014 -0.000001 0.000000 -0.069464 -0.099665 0.259521 15 H 0.427154 -0.061905 -0.031383 -0.000021 0.000000 -0.000007 16 H -0.039391 0.378755 0.000508 0.000000 0.000000 -0.000000 17 H -0.032503 0.371655 0.003519 -0.000005 0.000000 0.000003 18 C -0.000013 0.000001 0.000000 0.576452 0.000000 0.000022 19 Br 0.001333 -0.002275 -0.019021 -0.000000 -0.000002 -0.000019 20 H -0.000000 0.000000 0.000000 0.003740 0.005036 -0.010984 21 H -0.026503 0.380987 0.000327 0.000000 0.000000 -0.000000 22 H -0.020602 -0.001049 0.256663 -0.000000 0.000000 0.000000 23 N 0.000000 -0.000000 -0.000000 -0.091537 -0.000000 0.000000 24 H 0.000031 -0.000008 -0.000000 -0.048303 0.000000 0.000019 25 C -0.000000 -0.000000 -0.000000 -0.004876 -0.000000 -0.000000 26 C -0.000000 -0.000000 0.000000 0.001408 0.000000 -0.000000 27 H 0.000000 -0.000000 0.000000 0.000608 -0.000000 0.000000 28 H -0.000000 0.000000 0.000000 0.003965 0.000000 -0.000000 29 H 0.000000 -0.000000 0.000000 0.003862 0.000000 -0.000000 30 H -0.000000 0.000000 -0.000000 -0.000037 -0.000000 0.000000 31 H 0.000000 -0.000000 -0.000000 0.000080 0.000000 -0.000000 32 H -0.000000 0.000000 0.000000 0.000111 -0.000000 -0.000000 7 8 9 10 11 12 1 C 0.006710 0.002810 -0.023042 0.187448 -0.029582 -0.000883 2 C -0.000341 -0.000052 -0.001490 -0.092391 -0.000678 -0.000198 3 O -0.000061 -0.000059 -0.001499 -0.039621 0.000694 0.000037 4 N 0.000058 0.000001 0.000002 -0.000069 0.001742 -0.109206 5 O -0.104717 -0.001428 0.000158 -0.000050 0.004787 0.000093 6 C 0.323591 -0.031502 0.003051 0.003198 -0.061995 -0.009121 7 C 5.267770 0.413066 -0.113246 -0.079958 0.489274 -0.065412 8 N 0.413066 6.834427 0.550423 -0.095795 -0.112082 0.006387 9 C -0.113246 0.550423 4.487218 0.315455 -0.078966 0.001670 10 N -0.079958 -0.095795 0.315455 7.449861 0.287648 -0.053122 11 C 0.489274 -0.112082 -0.078966 0.287648 4.468199 0.343268 12 N -0.065412 0.006387 0.001670 -0.053122 0.343268 7.157445 13 C -0.001607 0.000146 0.000122 0.000035 -0.054263 0.557390 14 N -0.121697 0.001818 -0.000116 0.000063 -0.011537 -0.094605 15 H 0.000254 -0.000161 0.001263 -0.050246 -0.000106 0.002316 16 H 0.000001 0.000001 -0.000003 0.005938 0.000020 0.000011 17 H 0.000057 -0.000025 0.000216 -0.000327 0.000185 0.001038 18 C 0.000057 -0.000000 0.000000 -0.000006 0.000673 -0.013981 19 Br 0.003797 -0.058078 0.337038 -0.052571 0.003141 -0.000008 20 H 0.006529 -0.000014 0.000003 0.000013 -0.000674 0.003024 21 H -0.000020 -0.000077 0.000429 -0.002977 0.000160 -0.000028 22 H 0.000004 0.000004 0.000060 0.004803 -0.000041 0.000005 23 N 0.000000 0.000000 0.000000 -0.000000 -0.000006 -0.000219 24 H 0.000040 -0.000000 -0.000001 -0.000029 -0.000021 0.023593 25 C 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000021 26 C 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000001 27 H -0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 28 H 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000002 29 H 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 30 H -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 31 H 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000005 32 H 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000006 13 14 15 16 17 18 1 C -0.000087 0.000014 0.427154 -0.039391 -0.032503 -0.000013 2 C 0.000001 -0.000001 -0.061905 0.378755 0.371655 0.000001 3 O -0.000000 0.000000 -0.031383 0.000508 0.003519 0.000000 4 N 0.416018 -0.069464 -0.000021 0.000000 -0.000005 0.576452 5 O 0.001486 -0.099665 0.000000 0.000000 0.000000 0.000000 6 C -0.033898 0.259521 -0.000007 -0.000000 0.000003 0.000022 7 C -0.001607 -0.121697 0.000254 0.000001 0.000057 0.000057 8 N 0.000146 0.001818 -0.000161 0.000001 -0.000025 -0.000000 9 C 0.000122 -0.000116 0.001263 -0.000003 0.000216 0.000000 10 N 0.000035 0.000063 -0.050246 0.005938 -0.000327 -0.000006 11 C -0.054263 -0.011537 -0.000106 0.000020 0.000185 0.000673 12 N 0.557390 -0.094605 0.002316 0.000011 0.001038 -0.013981 13 C 3.967545 0.305579 -0.000070 0.000000 0.000025 -0.046553 14 N 0.305579 7.446563 0.000005 0.000000 0.000000 0.003870 15 H -0.000070 0.000005 0.517584 -0.001116 0.000897 -0.000038 16 H 0.000000 0.000000 -0.001116 0.548690 -0.021701 -0.000000 17 H 0.000025 0.000000 0.000897 -0.021701 0.523056 -0.000009 18 C -0.046553 0.003870 -0.000038 -0.000000 -0.000009 4.395708 19 Br 0.000002 0.000001 -0.000076 0.000049 0.000033 -0.000000 20 H -0.011303 0.301553 -0.000000 -0.000000 -0.000000 -0.000209 21 H -0.000001 -0.000000 0.003717 -0.022231 -0.020935 -0.000000 22 H 0.000000 0.000000 -0.002424 0.001746 0.000032 -0.000000 23 N 0.001849 0.000011 -0.000000 0.000000 0.000000 0.343584 24 H -0.008049 -0.000009 0.000229 0.000000 0.000034 0.390802 25 C -0.000250 -0.000041 0.000000 0.000000 -0.000000 -0.037173 26 C -0.000077 0.000000 -0.000000 0.000000 -0.000000 -0.041032 27 H 0.000013 -0.000000 0.000000 0.000000 0.000000 0.003530 28 H -0.000081 -0.000012 0.000000 0.000000 -0.000000 -0.003668 29 H -0.000092 -0.000010 -0.000000 -0.000000 0.000000 -0.003637 30 H 0.000002 -0.000000 -0.000000 0.000000 -0.000000 0.003123 31 H 0.000005 -0.000000 -0.000000 -0.000000 0.000000 -0.003391 32 H 0.000005 -0.000000 0.000000 0.000000 -0.000000 -0.003473 19 20 21 22 23 24 1 C 0.001333 -0.000000 -0.026503 -0.020602 0.000000 0.000031 2 C -0.002275 0.000000 0.380987 -0.001049 -0.000000 -0.000008 3 O -0.019021 0.000000 0.000327 0.256663 -0.000000 -0.000000 4 N -0.000000 0.003740 0.000000 -0.000000 -0.091537 -0.048303 5 O -0.000002 0.005036 0.000000 0.000000 -0.000000 0.000000 6 C -0.000019 -0.010984 -0.000000 0.000000 0.000000 0.000019 7 C 0.003797 0.006529 -0.000020 0.000004 0.000000 0.000040 8 N -0.058078 -0.000014 -0.000077 0.000004 0.000000 -0.000000 9 C 0.337038 0.000003 0.000429 0.000060 0.000000 -0.000001 10 N -0.052571 0.000013 -0.002977 0.004803 -0.000000 -0.000029 11 C 0.003141 -0.000674 0.000160 -0.000041 -0.000006 -0.000021 12 N -0.000008 0.003024 -0.000028 0.000005 -0.000219 0.023593 13 C 0.000002 -0.011303 -0.000001 0.000000 0.001849 -0.008049 14 N 0.000001 0.301553 -0.000000 0.000000 0.000011 -0.000009 15 H -0.000076 -0.000000 0.003717 -0.002424 -0.000000 0.000229 16 H 0.000049 -0.000000 -0.022231 0.001746 0.000000 0.000000 17 H 0.000033 -0.000000 -0.020935 0.000032 0.000000 0.000034 18 C -0.000000 -0.000209 -0.000000 -0.000000 0.343584 0.390802 19 Br 34.800774 -0.000000 0.002147 0.001294 -0.000000 -0.000000 20 H -0.000000 0.277640 0.000000 -0.000000 -0.000021 0.000023 21 H 0.002147 0.000000 0.489006 -0.000174 -0.000000 0.000000 22 H 0.001294 -0.000000 -0.000174 0.308444 0.000000 0.000000 23 N -0.000000 -0.000021 -0.000000 0.000000 7.282968 -0.058531 24 H -0.000000 0.000023 0.000000 0.000000 -0.058531 0.451220 25 C 0.000000 0.000007 0.000000 -0.000000 0.212037 0.002255 26 C 0.000000 0.000000 -0.000000 0.000000 0.211898 0.002478 27 H 0.000000 0.000000 0.000000 0.000000 -0.035682 -0.000005 28 H 0.000000 0.000007 -0.000000 -0.000000 -0.051516 0.000010 29 H 0.000000 0.000005 0.000000 0.000000 -0.050923 0.000020 30 H -0.000000 -0.000000 -0.000000 0.000000 -0.034601 -0.000084 31 H 0.000000 -0.000000 0.000000 0.000000 -0.054908 0.000517 32 H 0.000000 -0.000000 -0.000000 -0.000000 -0.054040 0.000512 25 26 27 28 29 30 1 C -0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 2 C -0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 3 O -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 4 N -0.004876 0.001408 0.000608 0.003965 0.003862 -0.000037 5 O -0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 6 C -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 7 C 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 8 N 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 9 C -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 10 N 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 N 0.000021 -0.000001 0.000000 0.000002 0.000000 0.000000 13 C -0.000250 -0.000077 0.000013 -0.000081 -0.000092 0.000002 14 N -0.000041 0.000000 -0.000000 -0.000012 -0.000010 -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 H -0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 18 C -0.037173 -0.041032 0.003530 -0.003668 -0.003637 0.003123 19 Br 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 20 H 0.000007 0.000000 0.000000 0.000007 0.000005 -0.000000 21 H 0.000000 -0.000000 0.000000 -0.000000 0.000000 -0.000000 22 H -0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000 23 N 0.212037 0.211898 -0.035682 -0.051516 -0.050923 -0.034601 24 H 0.002255 0.002478 -0.000005 0.000010 0.000020 -0.000084 25 C 4.933177 -0.038615 0.395970 0.403521 0.403500 -0.005843 26 C -0.038615 4.943017 -0.007536 0.002853 0.002877 0.403472 27 H 0.395970 -0.007536 0.518090 -0.025169 -0.024724 0.001374 28 H 0.403521 0.002853 -0.025169 0.514306 -0.035291 0.000205 29 H 0.403500 0.002877 -0.024724 -0.035291 0.512539 0.000157 30 H -0.005843 0.403472 0.001374 0.000205 0.000157 0.483633 31 H 0.002640 0.402994 0.000220 -0.000271 0.000298 -0.022532 32 H 0.002704 0.402820 0.000207 0.000277 -0.000261 -0.021726 31 32 1 C 0.000000 -0.000000 2 C -0.000000 0.000000 3 O -0.000000 0.000000 4 N 0.000080 0.000111 5 O 0.000000 -0.000000 6 C -0.000000 -0.000000 7 C 0.000000 0.000000 8 N 0.000000 0.000000 9 C -0.000000 -0.000000 10 N 0.000000 0.000000 11 C -0.000000 -0.000000 12 N -0.000005 -0.000006 13 C 0.000005 0.000005 14 N -0.000000 -0.000000 15 H -0.000000 0.000000 16 H -0.000000 0.000000 17 H 0.000000 -0.000000 18 C -0.003391 -0.003473 19 Br 0.000000 0.000000 20 H -0.000000 -0.000000 21 H 0.000000 -0.000000 22 H 0.000000 -0.000000 23 N -0.054908 -0.054040 24 H 0.000517 0.000512 25 C 0.002640 0.002704 26 C 0.402994 0.402820 27 H 0.000220 0.000207 28 H -0.000271 0.000277 29 H 0.000298 -0.000261 30 H -0.022532 -0.021726 31 H 0.536044 -0.040198 32 H -0.040198 0.535159 Mulliken charges: 1 1 C 0.371170 2 C -0.490930 3 O -0.743287 4 N -0.706943 5 O -0.639175 6 C 0.843568 7 C -0.024150 8 N -0.509810 9 C 0.521255 10 N -0.787301 11 C 0.750161 12 N -0.749505 13 C 0.906110 14 N -0.921843 15 H 0.194135 16 H 0.148726 17 H 0.174754 18 C 0.435361 19 Br -0.017558 20 H 0.425626 21 H 0.196173 22 H 0.451237 23 N -0.620362 24 H 0.243257 25 C -0.269033 26 C -0.286556 27 H 0.173103 28 H 0.190862 29 H 0.191681 30 H 0.192858 31 H 0.178507 32 H 0.177910 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.565305 2 C 0.028723 3 O -0.292051 4 N -0.706943 5 O -0.639175 6 C 0.843568 7 C -0.024150 8 N -0.509810 9 C 0.521255 10 N -0.787301 11 C 0.750161 12 N -0.749505 13 C 0.906110 14 N -0.496216 18 C 0.678618 19 Br -0.017558 23 N -0.620362 25 C 0.286613 26 C 0.262718 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147209651 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 38.93 SMaxX= 21.45 Shift= 7.937865 6.748529 1.816985 Box 1 Number 0 centers from 1 to 110: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.89D+01 RnKept= 2.14D+01 NSMCal= 6105 NSMKep= 4635 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 46. PRISM was handed 2146789029 working-precision words and 4635 shell-pairs IPart= 0 NShTot= 4635 NBatch= 107 AvBLen= 43.3 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 47. Electronic moments (au): -166.00000000 3.19590320 -3.92862455 0.14330102 -6635.49201390 -1697.30097821 -196.52030045 3.54238557 -1.23832111 -0.40221718 -17783.15955879 -1686.66186549 -133.49211729 -1107.53819350 6306.51175186 705.87937471 104.07837079 438.14308538 -270.31235972 -8.58801134 -557068.05660419 -50814.77439668 -1297.25264679 44946.05128193 1721.03981922 -453.86435414 -26.96144689 324.82212496 613.81366477 -38171.40777058 -6012.92489143 -3250.40089396 -1426.11265254 38.55632578 -1065.62857145 Electronic spatial extent (au): = 8529.3133 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 166.00000000 0.00000000 -0.00000000 0.00000000 6566.04150424 1600.46612926 103.96528976 0.00000000 0.00000000 0.00000000 17912.61110750 1460.88755458 128.75273606 1096.75693021 -6399.13594880 -705.67530062 -160.74554613 -439.84614951 252.88222337 11.75102695 540331.07725169 44572.85533450 614.75325474 -45412.87862039 -1738.12790229 1001.21084538 128.75239137 -296.07759464 -583.12803217 34181.76394839 2338.69277397 2190.72634399 1441.27959892 15.80981511 1107.57658382 Total moments (au): 0.00000000 3.19590320 -3.92862455 0.14330102 -69.45050966 -96.83484895 -92.55501069 3.54238557 -1.23832111 -0.40221718 129.45154871 -225.77431092 -4.73938123 -10.78126329 -92.62419694 0.20407409 -56.66717534 -1.70306413 -17.43013635 3.16301562 -16736.97935251 -6241.91906218 -682.49939206 -466.82733846 -17.08808307 547.34649124 101.79094447 28.74453031 30.68563260 -3989.64382219 -3674.23211746 -1059.67454997 15.16694638 54.36614089 41.94801237 Traceless Quadrup. (au): 16.82961344 -10.55472585 -6.27488759 3.54238557 -1.23832111 -0.40221718 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 8.1232 Y= -9.9856 Z= 0.3642 Tot= 12.8775 Quadrupole moment (field-independent basis, Debye-Ang): XX= -93.4133 YY= -130.2462 ZZ= -124.4897 XY= 4.7646 XZ= -1.6656 YZ= -0.5410 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 22.6364 YY= -14.1965 ZZ= -8.4399 XY= 4.7646 XZ= -1.6656 YZ= -0.5410 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 92.1386 YYY= -160.6975 ZZZ= -3.3733 XYY= -7.6737 XXY= -65.9263 XXZ= 0.1453 XZZ= -40.3335 YZZ= -1.2122 YYZ= -12.4061 XYZ= 2.2513 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -6303.9490 YYYY= -2351.0060 ZZZZ= -257.0620 XXXY= -175.8296 XXXZ= -6.4362 YYYX= 206.1569 YYYZ= 38.3394 ZZZX= 10.8266 ZZZY= 11.5577 XXYY= -1502.6912 XXZZ= -1383.8920 YYZZ= -399.1242 XXYZ= 5.7126 YYXZ= 20.4769 ZZXY= 15.7996 N-N= 1.825434337085D+03 E-N=-1.180599687916D+04 KE= 3.419029836863D+03 Entering OneElI... OneElI was handed 2147261794 working-precision words. Calculate electrostatic properties NBasis = 326 MinDer = 0 MaxDer = 0 NGrid = 32 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 32.44 SMaxX= 21.45 Shift= 7.937865 6.748529 1.816985 Box 1 Number 0 centers from 1 to 110: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.24D+01 RnKept= 1.90D+01 NSMCal= 6105 NSMKep= 3859 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 102. PRISM was handed 178801195 working-precision words and 3859 shell-pairs PRISM was handed 178801195 working-precision words and 3859 shell-pairs PRISM was handed 178801195 working-precision words and 3859 shell-pairs PRISM was handed 178801195 working-precision words and 3859 shell-pairs PRISM was handed 178801195 working-precision words and 3859 shell-pairs PRISM was handed 178801195 working-precision words and 3859 shell-pairs PRISM was handed 178801195 working-precision words and 3859 shell-pairs PRISM was handed 178801195 working-precision words and 3859 shell-pairs PRISM was handed 178801195 working-precision words and 3859 shell-pairs PRISM was handed 178801195 working-precision words and 3859 shell-pairs PRISM was handed 178801195 working-precision words and 3859 shell-pairs PRISM was handed 178801195 working-precision words and 3859 shell-pairs IPart= 7 NShTot= 9760 NBatch= 305 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 8 NShTot= 9728 NBatch= 304 AvBLen= 32.0 IPart= 10 NShTot= 9568 NBatch= 299 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 6 NShTot= 9888 NBatch= 309 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 5 NShTot= 10272 NBatch= 321 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 4 NShTot= 10560 NBatch= 330 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 3 NShTot= 10624 NBatch= 332 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 2 NShTot= 10784 NBatch= 337 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 0 NShTot= 12032 NBatch= 376 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 1 NShTot= 11200 NBatch= 350 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 11 NShTot= 9376 NBatch= 293 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 9 NShTot= 9696 NBatch= 303 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 1225. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.000046 -0.165871 0.165917 2 Atom 0.034537 -0.014381 -0.020156 3 Atom 0.006384 -1.244238 1.237854 4 Atom -0.095615 0.291656 -0.196041 5 Atom 1.445438 -0.825663 -0.619775 6 Atom 0.130658 0.379795 -0.510453 7 Atom -0.130533 0.137815 -0.007282 8 Atom -0.045071 0.601111 -0.556040 9 Atom -0.165262 0.182587 -0.017325 10 Atom -0.484376 -0.391075 0.875451 11 Atom -0.024598 0.258605 -0.234007 12 Atom -0.553337 0.693055 -0.139717 13 Atom 0.296714 0.085574 -0.382287 14 Atom -0.318696 -0.506062 0.824759 15 Atom -0.154962 0.082528 0.072434 16 Atom 0.152237 -0.288874 0.136637 17 Atom -0.121980 0.103547 0.018433 18 Atom 0.160277 0.366704 -0.526980 19 Atom -7.281630 3.566558 3.715072 20 Atom -0.122940 -0.126244 0.249184 21 Atom -0.158599 0.096073 0.062527 22 Atom 0.183689 -0.391078 0.207390 23 Atom -0.594905 -0.491884 1.086789 24 Atom -0.034749 -0.137079 0.171828 25 Atom -0.081697 -0.068862 0.150558 26 Atom 0.076433 -0.203016 0.126582 27 Atom -0.229969 0.074459 0.155510 28 Atom 0.132209 0.005216 -0.137425 29 Atom 0.129128 -0.002468 -0.126660 30 Atom -0.277207 0.124106 0.153100 31 Atom 0.094315 0.044013 -0.138328 32 Atom 0.085880 0.037013 -0.122894 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.111113 -0.235518 -0.093129 2 Atom -0.012781 0.005571 0.013779 3 Atom -0.696850 -1.246278 -0.512290 4 Atom 0.767248 0.017849 0.004944 5 Atom 0.837995 0.036083 -0.012779 6 Atom 0.070106 0.002216 0.041590 7 Atom 0.016371 -0.000569 0.010402 8 Atom -0.677489 -0.037908 0.059817 9 Atom 0.097861 0.007680 0.008096 10 Atom 0.033586 0.012936 -0.091120 11 Atom -0.136723 0.000057 0.032919 12 Atom -0.370709 -0.017085 0.039261 13 Atom 0.082859 0.008121 0.021650 14 Atom 0.052979 0.003123 -0.061050 15 Atom 0.109721 0.143605 -0.059115 16 Atom -0.003301 -0.001162 -0.015378 17 Atom -0.107295 -0.180599 -0.066294 18 Atom 0.053305 -0.003202 0.009470 19 Atom -2.840095 -0.032914 0.197930 20 Atom -0.311125 -0.014646 -0.017646 21 Atom 0.119906 0.155669 -0.054939 22 Atom 0.000633 -0.026394 -0.009942 23 Atom 0.025091 0.008792 -0.002088 24 Atom -0.247920 -0.001495 -0.002434 25 Atom -0.210347 0.000990 0.000490 26 Atom 0.124772 0.000924 -0.000268 27 Atom 0.132981 0.005645 -0.002114 28 Atom 0.021907 0.051775 -0.196433 29 Atom 0.027633 -0.057632 0.197982 30 Atom 0.011315 -0.006128 0.000092 31 Atom -0.060182 -0.122936 -0.163294 32 Atom -0.067261 0.128136 0.163980 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.6935 3.331 1.189 1.111 0.7888 -0.6142 -0.0222 4 N(14) Bbb -0.1960 0.941 0.336 0.314 0.0091 -0.0244 0.9997 Bcc 0.8895 -4.272 -1.524 -1.425 0.6145 0.7888 0.0137 Baa -0.5592 2.686 0.958 0.896 0.0251 -0.0368 0.9990 8 N(14) Bbb -0.4726 2.270 0.810 0.757 0.8457 0.5337 -0.0016 Bcc 1.0318 -4.955 -1.768 -1.653 -0.5331 0.8449 0.0446 Baa -0.4964 2.384 0.851 0.795 0.9443 -0.3275 -0.0307 10 N(14) Bbb -0.3856 1.852 0.661 0.618 0.3289 0.9422 0.0647 Bcc 0.8821 -4.236 -1.512 -1.413 0.0077 -0.0712 0.9974 Baa -0.6553 3.147 1.123 1.050 0.9642 0.2648 0.0118 12 N(14) Bbb -0.1416 0.680 0.243 0.227 0.0006 -0.0467 0.9989 Bcc 0.7969 -3.827 -1.366 -1.277 -0.2650 0.9632 0.0452 Baa -0.5227 2.510 0.896 0.837 -0.2518 0.9668 0.0444 14 N(14) Bbb -0.3049 1.464 0.522 0.488 0.9678 0.2516 0.0109 Bcc 0.8276 -3.974 -1.418 -1.326 0.0006 -0.0457 0.9990 Baa -7.9802 586.897 209.419 195.768 0.9711 0.2389 -0.0013 19 Br(79) Bbb 3.6500 -268.437 -95.785 -89.541 0.0751 -0.3001 0.9510 Bcc 4.3302 -318.460 -113.634 -106.227 -0.2268 0.9235 0.3093 Baa -0.6007 2.885 1.029 0.962 0.9744 -0.2247 -0.0054 23 N(14) Bbb -0.4861 2.335 0.833 0.779 0.2247 0.9744 0.0000 Bcc 1.0868 -5.220 -1.863 -1.741 0.0052 -0.0012 1.0000 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri May 3 20:01:44 2024, MaxMem= 2147483648 cpu: 3.0 elap: 0.3 FitSet: NAtFit= 32 NAtPot= 32 NAtFrz= 0 MDM= 36 TotChg= 0.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 8 1.40 4 7 1.50 5 8 1.40 6 6 1.50 7 6 1.50 8 7 1.50 9 6 1.50 10 7 1.50 11 6 1.50 12 7 1.50 13 6 1.50 14 7 1.50 15 1 1.20 16 1 1.20 17 1 1.20 18 6 1.50 19 35 2.30 20 1 1.20 21 1 1.20 22 1 1.20 23 7 1.50 24 1 1.20 25 6 1.50 26 6 1.50 27 1 1.20 28 1 1.20 29 1 1.20 30 1 1.20 31 1 1.20 32 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= 0.200 ********************************************************************** Electrostatic Properties Using The SCF Density ********************************************************************** Atomic Center 1 is at -1.270538 -1.917741 -0.149035 Atomic Center 2 is at -1.368305 -2.472423 1.278882 Atomic Center 3 is at -2.402143 -2.373100 -0.889272 Atomic Center 4 is at 3.419922 0.570148 -0.027255 Atomic Center 5 is at 0.015591 3.784788 0.120633 Atomic Center 6 is at 0.377106 2.604453 0.064137 Atomic Center 7 is at -0.564137 1.539511 0.015092 Atomic Center 8 is at -1.973206 1.598529 0.023423 Atomic Center 9 is at -2.373124 0.379090 -0.032793 Atomic Center 10 is at -1.258844 -0.487082 -0.080816 Atomic Center 11 is at -0.158645 0.300509 -0.043690 Atomic Center 12 is at 1.183616 -0.052980 -0.060026 Atomic Center 13 is at 2.060208 0.883472 -0.016225 Atomic Center 14 is at 1.668274 2.267883 0.046693 Atomic Center 15 is at -0.335032 -2.275535 -0.601672 Atomic Center 16 is at -1.376576 -3.571168 1.243974 Atomic Center 17 is at -0.502589 -2.129482 1.863028 Atomic Center 18 is at 3.816632 -0.636577 -0.047435 Atomic Center 19 is at -4.200537 -0.156117 -0.041166 Atomic Center 20 is at 2.364286 2.977609 0.079958 Atomic Center 21 is at -2.294472 -2.113052 1.748231 Atomic Center 22 is at -2.405696 -3.361793 -0.908836 Atomic Center 23 is at 5.181956 -0.906444 -0.057024 Atomic Center 24 is at 3.116325 -1.432932 -0.053851 Atomic Center 25 is at 6.119315 0.176161 -0.059174 Atomic Center 26 is at 5.646390 -2.259011 -0.063473 Atomic Center 27 is at 7.149919 -0.207131 -0.074340 Atomic Center 28 is at 5.953732 0.792181 0.835988 Atomic Center 29 is at 5.931943 0.809918 -0.937896 Atomic Center 30 is at 6.746194 -2.286462 -0.047962 Atomic Center 31 is at 5.264998 -2.763908 -0.961507 Atomic Center 32 is at 5.236748 -2.782701 0.812136 ESP Fit Center 33 is at -0.408338 -1.131742 -1.895121 ESP Fit Center 34 is at -0.574569 -1.515923 -2.089182 ESP Fit Center 35 is at -0.868720 -1.221772 -2.089182 ESP Fit Center 36 is at -1.270538 -1.114106 -2.089182 ESP Fit Center 37 is at -0.860848 -1.917741 -2.208684 ESP Fit Center 38 is at -1.065693 -1.562939 -2.208684 ESP Fit Center 39 is at -1.368305 -2.472423 3.378882 ESP Fit Center 40 is at -1.573150 -2.117622 3.338531 ESP Fit Center 41 is at -1.777995 -2.472423 3.338531 ESP Fit Center 42 is at -1.573150 -2.827225 3.338531 ESP Fit Center 43 is at -1.163460 -2.827225 3.338531 ESP Fit Center 44 is at -1.770123 -3.168392 3.219029 ESP Fit Center 45 is at -1.368305 -3.276058 3.219029 ESP Fit Center 46 is at -0.966488 -3.168392 3.219029 ESP Fit Center 47 is at -2.071398 -3.403468 3.024968 ESP Fit Center 48 is at -1.687587 -3.594583 3.024968 ESP Fit Center 49 is at -1.260656 -3.634144 3.024968 ESP Fit Center 50 is at -0.848264 -3.516808 3.024968 ESP Fit Center 51 is at -2.340724 -3.594654 2.763806 ESP Fit Center 52 is at -0.395887 -3.594654 2.763806 ESP Fit Center 53 is at -1.578773 -0.739068 2.445579 ESP Fit Center 54 is at -2.675270 -3.630293 2.445579 ESP Fit Center 55 is at -1.263268 -0.535122 2.082517 ESP Fit Center 56 is at -1.682186 -0.557835 2.082517 ESP Fit Center 57 is at 0.322179 -3.649035 1.688571 ESP Fit Center 58 is at -3.114392 -3.639121 1.278882 ESP Fit Center 59 is at 0.377781 -3.639121 1.278882 ESP Fit Center 60 is at -3.169153 -3.471975 0.869192 ESP Fit Center 61 is at 0.322179 -3.649035 0.869192 ESP Fit Center 62 is at 0.524425 -3.284658 0.869192 ESP Fit Center 63 is at 0.649183 -2.887028 0.869192 ESP Fit Center 64 is at 0.176232 -3.646550 0.475247 ESP Fit Center 65 is at -3.775376 -3.370812 0.090728 ESP Fit Center 66 is at -4.072383 -3.378050 -0.684396 ESP Fit Center 67 is at -4.081613 -3.181890 -1.494945 ESP Fit Center 68 is at -3.980355 -2.997958 -1.869272 ESP Fit Center 69 is at -0.945579 -2.373100 -2.200768 ESP Fit Center 70 is at -1.448297 -1.272303 -2.200768 ESP Fit Center 71 is at -1.797065 -1.048163 -2.200768 ESP Fit Center 72 is at -3.799706 -2.783461 -2.200768 ESP Fit Center 73 is at -3.627483 -3.160578 -2.200768 ESP Fit Center 74 is at -1.176804 -3.160578 -2.200768 ESP Fit Center 75 is at -1.004580 -2.783461 -2.200768 ESP Fit Center 76 is at -1.250084 -2.373100 -2.474945 ESP Fit Center 77 is at -1.327880 -1.956928 -2.474945 ESP Fit Center 78 is at -1.550761 -1.596963 -2.474945 ESP Fit Center 79 is at -1.888626 -1.341819 -2.474945 ESP Fit Center 80 is at -2.295845 -1.225955 -2.474945 ESP Fit Center 81 is at -3.534586 -2.161410 -2.474945 ESP Fit Center 82 is at -3.534586 -2.584790 -2.474945 ESP Fit Center 83 is at -3.381644 -2.979581 -2.474945 ESP Fit Center 84 is at -3.096414 -3.292463 -2.474945 ESP Fit Center 85 is at -1.550761 -3.149237 -2.474945 ESP Fit Center 86 is at -1.327880 -2.789272 -2.474945 ESP Fit Center 87 is at -1.604939 -2.373100 -2.679821 ESP Fit Center 88 is at -1.711744 -1.974498 -2.679821 ESP Fit Center 89 is at -2.003541 -1.682701 -2.679821 ESP Fit Center 90 is at -2.402143 -1.575896 -2.679821 ESP Fit Center 91 is at -2.800745 -1.682701 -2.679821 ESP Fit Center 92 is at -3.092542 -1.974498 -2.679821 ESP Fit Center 93 is at -3.199347 -2.373100 -2.679821 ESP Fit Center 94 is at -3.092542 -2.771702 -2.679821 ESP Fit Center 95 is at -2.800745 -3.063499 -2.679821 ESP Fit Center 96 is at -2.402143 -3.170304 -2.679821 ESP Fit Center 97 is at -2.003541 -3.063499 -2.679821 ESP Fit Center 98 is at -1.711744 -2.771702 -2.679821 ESP Fit Center 99 is at -1.994636 -2.373100 -2.806441 ESP Fit Center 100 is at -2.198390 -2.020189 -2.806441 ESP Fit Center 101 is at -2.605897 -2.020189 -2.806441 ESP Fit Center 102 is at -2.809650 -2.373100 -2.806441 ESP Fit Center 103 is at -2.605897 -2.726011 -2.806441 ESP Fit Center 104 is at -2.198390 -2.726011 -2.806441 ESP Fit Center 105 is at -2.402143 -2.373100 -2.849272 ESP Fit Center 106 is at 3.419922 0.570148 2.072745 ESP Fit Center 107 is at 3.829611 0.570148 2.032394 ESP Fit Center 108 is at 3.624766 0.924949 2.032394 ESP Fit Center 109 is at 3.215077 0.924949 2.032394 ESP Fit Center 110 is at 3.010232 0.570148 2.032394 ESP Fit Center 111 is at 3.215077 0.215346 2.032394 ESP Fit Center 112 is at 3.624766 0.215346 2.032394 ESP Fit Center 113 is at 4.223557 0.570148 1.912892 ESP Fit Center 114 is at 4.115890 0.971965 1.912892 ESP Fit Center 115 is at 3.821739 1.266116 1.912892 ESP Fit Center 116 is at 3.419922 1.373783 1.912892 ESP Fit Center 117 is at 3.018104 1.266116 1.912892 ESP Fit Center 118 is at 2.723953 0.168330 1.912892 ESP Fit Center 119 is at 3.018104 -0.125821 1.912892 ESP Fit Center 120 is at 4.115890 0.168330 1.912892 ESP Fit Center 121 is at 4.507835 0.991608 1.718831 ESP Fit Center 122 is at 4.282121 1.356147 1.718831 ESP Fit Center 123 is at 3.939963 1.614533 1.718831 ESP Fit Center 124 is at 3.527571 1.731868 1.718831 ESP Fit Center 125 is at 3.100640 1.692307 1.718831 ESP Fit Center 126 is at 4.392340 1.692379 1.457669 ESP Fit Center 127 is at 4.036781 1.920882 1.457669 ESP Fit Center 128 is at 3.631248 2.039958 1.457669 ESP Fit Center 129 is at 3.208595 2.039958 1.457669 ESP Fit Center 130 is at 4.411812 2.007149 1.139442 ESP Fit Center 131 is at 4.039092 2.202767 1.139442 ESP Fit Center 132 is at 3.630389 2.303503 1.139442 ESP Fit Center 133 is at 4.675946 2.048854 0.776380 ESP Fit Center 134 is at 4.328703 2.284291 0.776380 ESP Fit Center 135 is at 3.938966 2.439576 0.776380 ESP Fit Center 136 is at 4.838952 2.062967 0.382434 ESP Fit Center 137 is at 4.509402 2.318057 0.382434 ESP Fit Center 138 is at 4.135249 2.501588 0.382434 ESP Fit Center 139 is at 4.904846 2.055072 -0.027255 ESP Fit Center 140 is at 4.586619 2.316234 -0.027255 ESP Fit Center 141 is at 4.223557 2.510295 -0.027255 ESP Fit Center 142 is at 4.838952 2.062967 -0.436945 ESP Fit Center 143 is at 4.509402 2.318057 -0.436945 ESP Fit Center 144 is at 4.135249 2.501588 -0.436945 ESP Fit Center 145 is at 4.675946 2.048854 -0.830890 ESP Fit Center 146 is at 4.328703 2.284291 -0.830890 ESP Fit Center 147 is at 3.938966 2.439576 -0.830890 ESP Fit Center 148 is at 4.411812 2.007149 -1.193953 ESP Fit Center 149 is at 4.039092 2.202767 -1.193953 ESP Fit Center 150 is at 3.630389 2.303503 -1.193953 ESP Fit Center 151 is at 4.392340 1.692379 -1.512180 ESP Fit Center 152 is at 4.036781 1.920882 -1.512180 ESP Fit Center 153 is at 3.631248 2.039958 -1.512180 ESP Fit Center 154 is at 3.208595 2.039958 -1.512180 ESP Fit Center 155 is at 4.282121 1.356147 -1.773341 ESP Fit Center 156 is at 3.939963 1.614533 -1.773341 ESP Fit Center 157 is at 3.527571 1.731868 -1.773341 ESP Fit Center 158 is at 3.100640 1.692307 -1.773341 ESP Fit Center 159 is at 4.223557 0.570148 -1.967402 ESP Fit Center 160 is at 4.115890 0.971965 -1.967402 ESP Fit Center 161 is at 3.821739 1.266116 -1.967402 ESP Fit Center 162 is at 3.419922 1.373783 -1.967402 ESP Fit Center 163 is at 3.018104 1.266116 -1.967402 ESP Fit Center 164 is at 2.723953 0.168330 -1.967402 ESP Fit Center 165 is at 3.018104 -0.125821 -1.967402 ESP Fit Center 166 is at 4.115890 0.168330 -1.967402 ESP Fit Center 167 is at 3.829611 0.570148 -2.086904 ESP Fit Center 168 is at 3.624766 0.924949 -2.086904 ESP Fit Center 169 is at 3.215077 0.924949 -2.086904 ESP Fit Center 170 is at 3.010232 0.570148 -2.086904 ESP Fit Center 171 is at 3.215077 0.215346 -2.086904 ESP Fit Center 172 is at 3.624766 0.215346 -2.086904 ESP Fit Center 173 is at 3.419922 0.570148 -2.127255 ESP Fit Center 174 is at 0.015591 3.784788 2.080633 ESP Fit Center 175 is at 0.423098 3.784788 2.037802 ESP Fit Center 176 is at 0.219345 4.137699 2.037802 ESP Fit Center 177 is at -0.188162 4.137699 2.037802 ESP Fit Center 178 is at -0.391916 3.784788 2.037802 ESP Fit Center 179 is at -0.188162 3.431876 2.037802 ESP Fit Center 180 is at 0.219345 3.431876 2.037802 ESP Fit Center 181 is at 0.812795 3.784788 1.911182 ESP Fit Center 182 is at 0.705990 4.183390 1.911182 ESP Fit Center 183 is at 0.414193 4.475186 1.911182 ESP Fit Center 184 is at 0.015591 4.581991 1.911182 ESP Fit Center 185 is at -0.383011 4.475186 1.911182 ESP Fit Center 186 is at -0.674808 4.183390 1.911182 ESP Fit Center 187 is at -0.781613 3.784788 1.911182 ESP Fit Center 188 is at -0.674808 3.386186 1.911182 ESP Fit Center 189 is at 1.167650 3.784788 1.706306 ESP Fit Center 190 is at 1.089854 4.200959 1.706306 ESP Fit Center 191 is at 0.866973 4.560925 1.706306 ESP Fit Center 192 is at 0.529108 4.816069 1.706306 ESP Fit Center 193 is at 0.121890 4.931932 1.706306 ESP Fit Center 194 is at -0.299685 4.892868 1.706306 ESP Fit Center 195 is at -0.678679 4.704151 1.706306 ESP Fit Center 196 is at -0.963909 4.391269 1.706306 ESP Fit Center 197 is at -1.116852 3.996478 1.706306 ESP Fit Center 198 is at -1.116852 3.573097 1.706306 ESP Fit Center 199 is at -0.963909 3.178307 1.706306 ESP Fit Center 200 is at 1.413154 4.195149 1.432129 ESP Fit Center 201 is at 1.240931 4.572266 1.432129 ESP Fit Center 202 is at 0.969438 4.885585 1.432129 ESP Fit Center 203 is at 0.620670 5.109725 1.432129 ESP Fit Center 204 is at 0.222882 5.226526 1.432129 ESP Fit Center 205 is at -0.191699 5.226526 1.432129 ESP Fit Center 206 is at -0.589487 5.109725 1.432129 ESP Fit Center 207 is at -0.938255 4.885585 1.432129 ESP Fit Center 208 is at -1.209748 4.572266 1.432129 ESP Fit Center 209 is at -1.381972 4.195149 1.432129 ESP Fit Center 210 is at -1.440973 3.784788 1.432129 ESP Fit Center 211 is at -1.381972 3.374426 1.432129 ESP Fit Center 212 is at -1.209748 2.997310 1.432129 ESP Fit Center 213 is at 1.659674 4.206916 1.100633 ESP Fit Center 214 is at 1.503043 4.602521 1.100633 ESP Fit Center 215 is at 1.252950 4.946745 1.100633 ESP Fit Center 216 is at 0.925109 5.217958 1.100633 ESP Fit Center 217 is at 0.540120 5.399120 1.100633 ESP Fit Center 218 is at 0.122172 5.478848 1.100633 ESP Fit Center 219 is at -0.302472 5.452132 1.100633 ESP Fit Center 220 is at -0.707131 5.320650 1.100633 ESP Fit Center 221 is at -1.066378 5.092664 1.100633 ESP Fit Center 222 is at -1.357642 4.782500 1.100633 ESP Fit Center 223 is at -1.562620 4.409646 1.100633 ESP Fit Center 224 is at -1.668434 3.997530 1.100633 ESP Fit Center 225 is at -1.668434 3.572046 1.100633 ESP Fit Center 226 is at 1.695061 4.593578 0.726306 ESP Fit Center 227 is at 1.472980 4.947017 0.726306 ESP Fit Center 228 is at 1.177820 5.242177 0.726306 ESP Fit Center 229 is at 0.824381 5.464257 0.726306 ESP Fit Center 230 is at 0.430386 5.602122 0.726306 ESP Fit Center 231 is at 0.015591 5.648858 0.726306 ESP Fit Center 232 is at -0.399204 5.602122 0.726306 ESP Fit Center 233 is at -0.793199 5.464257 0.726306 ESP Fit Center 234 is at -1.146638 5.242177 0.726306 ESP Fit Center 235 is at -1.441798 4.947017 0.726306 ESP Fit Center 236 is at -1.663878 4.593578 0.726306 ESP Fit Center 237 is at -1.801743 4.199582 0.726306 ESP Fit Center 238 is at -1.848480 3.784788 0.726306 ESP Fit Center 239 is at 1.784694 4.603262 0.325509 ESP Fit Center 240 is at 1.567386 4.964431 0.325509 ESP Fit Center 241 is at 1.277517 5.270442 0.325509 ESP Fit Center 242 is at 0.928642 5.506985 0.325509 ESP Fit Center 243 is at 0.537074 5.663000 0.325509 ESP Fit Center 244 is at 0.121122 5.731192 0.325509 ESP Fit Center 245 is at -0.299764 5.708372 0.325509 ESP Fit Center 246 is at -0.705905 5.595608 0.325509 ESP Fit Center 247 is at -1.078310 5.398171 0.325509 ESP Fit Center 248 is at -1.399565 5.125295 0.325509 ESP Fit Center 249 is at -1.654649 4.789738 0.325509 ESP Fit Center 250 is at -1.831634 4.407190 0.325509 ESP Fit Center 251 is at -1.922245 3.995540 0.325509 ESP Fit Center 252 is at 1.784694 4.603262 -0.084243 ESP Fit Center 253 is at 1.567386 4.964431 -0.084243 ESP Fit Center 254 is at 1.277517 5.270442 -0.084243 ESP Fit Center 255 is at 0.928642 5.506985 -0.084243 ESP Fit Center 256 is at 0.537074 5.663000 -0.084243 ESP Fit Center 257 is at 0.121122 5.731192 -0.084243 ESP Fit Center 258 is at -0.299764 5.708372 -0.084243 ESP Fit Center 259 is at -0.705905 5.595608 -0.084243 ESP Fit Center 260 is at -1.078310 5.398171 -0.084243 ESP Fit Center 261 is at -1.399565 5.125295 -0.084243 ESP Fit Center 262 is at -1.654649 4.789738 -0.084243 ESP Fit Center 263 is at -1.831634 4.407190 -0.084243 ESP Fit Center 264 is at -1.922245 3.995540 -0.084243 ESP Fit Center 265 is at 1.695061 4.593578 -0.485040 ESP Fit Center 266 is at 1.472980 4.947017 -0.485040 ESP Fit Center 267 is at 1.177820 5.242177 -0.485040 ESP Fit Center 268 is at 0.824381 5.464257 -0.485040 ESP Fit Center 269 is at 0.430386 5.602122 -0.485040 ESP Fit Center 270 is at 0.015591 5.648858 -0.485040 ESP Fit Center 271 is at -0.399204 5.602122 -0.485040 ESP Fit Center 272 is at -0.793199 5.464257 -0.485040 ESP Fit Center 273 is at -1.146638 5.242177 -0.485040 ESP 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535 is at 2.045816 -0.838979 1.686060 ESP Fit Center 536 is at 2.271529 -0.474440 1.686060 ESP Fit Center 537 is at 1.394943 -1.522790 1.424898 ESP Fit Center 538 is at 1.800476 -1.403715 1.424898 ESP Fit Center 539 is at 2.156035 -1.175211 1.424898 ESP Fit Center 540 is at 0.973149 -1.786335 1.106671 ESP Fit Center 541 is at 1.394083 -1.786335 1.106671 ESP Fit Center 542 is at 1.802787 -1.685599 1.106671 ESP Fit Center 543 is at 0.869735 -1.967569 0.743609 ESP Fit Center 544 is at 1.288653 -1.990282 0.743609 ESP Fit Center 545 is at 1.702660 -1.922409 0.743609 ESP Fit Center 546 is at 1.079297 -2.109986 0.349663 ESP Fit Center 547 is at 1.495504 -2.088878 0.349663 ESP Fit Center 548 is at 1.495504 -2.088878 -0.469716 ESP Fit Center 549 is at 1.702660 -1.922409 -0.863662 ESP Fit Center 550 is at 1.394083 -1.786335 -1.226724 ESP Fit Center 551 is at 1.802787 -1.685599 -1.226724 ESP Fit Center 552 is at 0.972289 -1.522790 -1.544951 ESP Fit Center 553 is at 1.394943 -1.522790 -1.544951 ESP Fit Center 554 is at 1.800476 -1.403715 -1.544951 ESP Fit Center 555 is at 2.156035 -1.175211 -1.544951 ESP Fit Center 556 is at 0.864334 1.069179 -1.806113 ESP Fit Center 557 is at 0.480524 -0.984025 -1.806113 ESP Fit Center 558 is at 0.864334 -1.175140 -1.806113 ESP Fit Center 559 is at 1.291265 -1.214701 -1.806113 ESP Fit Center 560 is at 1.703658 -1.097365 -1.806113 ESP Fit Center 561 is at 2.045816 -0.838979 -1.806113 ESP Fit Center 562 is at 2.271529 -0.474440 -1.806113 ESP Fit Center 563 is at 1.987251 -0.052980 -2.000173 ESP Fit Center 564 is at 1.183616 0.750655 -2.000173 ESP Fit Center 565 is at 0.781798 0.642988 -2.000173 ESP Fit Center 566 is at 0.487648 -0.454798 -2.000173 ESP Fit Center 567 is at 0.781798 -0.748949 -2.000173 ESP Fit Center 568 is at 1.183616 -0.856615 -2.000173 ESP Fit Center 569 is at 1.585434 -0.748949 -2.000173 ESP Fit Center 570 is at 1.879585 -0.454798 -2.000173 ESP Fit Center 571 is at 1.593306 -0.052980 -2.119675 ESP Fit Center 572 is at 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2.669701 -1.893454 ESP Fit Center 649 is at 2.070092 2.963852 -1.893454 ESP Fit Center 650 is at 1.668274 3.071519 -1.893454 ESP Fit Center 651 is at 1.266456 2.963852 -1.893454 ESP Fit Center 652 is at 0.972305 1.866066 -1.893454 ESP Fit Center 653 is at 1.266456 1.571915 -1.893454 ESP Fit Center 654 is at 2.364242 1.866066 -1.893454 ESP Fit Center 655 is at 2.077964 2.267883 -2.012957 ESP Fit Center 656 is at 1.873119 2.622685 -2.012957 ESP Fit Center 657 is at 1.463429 2.622685 -2.012957 ESP Fit Center 658 is at 1.258584 2.267883 -2.012957 ESP Fit Center 659 is at 1.463429 1.913082 -2.012957 ESP Fit Center 660 is at 1.873119 1.913082 -2.012957 ESP Fit Center 661 is at 1.668274 2.267883 -2.053307 ESP Fit Center 662 is at 0.852908 -2.275535 0.586268 ESP Fit Center 663 is at 0.542866 -3.075845 0.586268 ESP Fit Center 664 is at 0.772689 -2.704668 0.586268 ESP Fit Center 665 is at 1.119891 -2.275535 0.238328 ESP Fit Center 666 is at 0.196511 -3.629884 0.238328 ESP Fit Center 667 is at 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ESP Fit Center 686 is at -0.755032 -3.842996 -1.036488 ESP Fit Center 687 is at -0.335032 -3.898290 -1.036488 ESP Fit Center 688 is at 0.084968 -3.842996 -1.036488 ESP Fit Center 689 is at 0.476346 -3.680882 -1.036488 ESP Fit Center 690 is at 0.812430 -3.422996 -1.036488 ESP Fit Center 691 is at 1.070316 -3.086913 -1.036488 ESP Fit Center 692 is at 1.232430 -2.695535 -1.036488 ESP Fit Center 693 is at 1.119891 -2.275535 -1.441672 ESP Fit Center 694 is at 1.055253 -1.846689 -1.441672 ESP Fit Center 695 is at -0.658783 -3.693980 -1.441672 ESP Fit Center 696 is at -0.226305 -3.726390 -1.441672 ESP Fit Center 697 is at 0.196511 -3.629884 -1.441672 ESP Fit Center 698 is at 0.572098 -3.413039 -1.441672 ESP Fit Center 699 is at 0.867082 -3.095122 -1.441672 ESP Fit Center 700 is at 1.055253 -2.704381 -1.441672 ESP Fit Center 701 is at 0.852908 -2.275535 -1.789611 ESP Fit Center 702 is at 0.772689 -1.846402 -1.789611 ESP Fit Center 703 is at 0.542866 -1.475225 -1.789611 ESP Fit Center 704 is at 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1.678790 ESP Fit Center 760 is at 0.190886 -3.991168 1.678790 ESP Fit Center 761 is at -3.043328 -3.781727 1.243974 ESP Fit Center 762 is at -2.938600 -4.189617 1.243974 ESP Fit Center 763 is at -2.735724 -4.558647 1.243974 ESP Fit Center 764 is at -2.447448 -4.865630 1.243974 ESP Fit Center 765 is at -2.091885 -5.091277 1.243974 ESP Fit Center 766 is at -1.691376 -5.221410 1.243974 ESP Fit Center 767 is at -1.271088 -5.247852 1.243974 ESP Fit Center 768 is at -0.857427 -5.168943 1.243974 ESP Fit Center 769 is at -0.476387 -4.989638 1.243974 ESP Fit Center 770 is at -0.151908 -4.721207 1.243974 ESP Fit Center 771 is at 0.095620 -4.380514 1.243974 ESP Fit Center 772 is at 0.250644 -3.988967 1.243974 ESP Fit Center 773 is at -2.944037 -3.991168 0.809158 ESP Fit Center 774 is at -2.781923 -4.382545 0.809158 ESP Fit Center 775 is at -2.524037 -4.718629 0.809158 ESP Fit Center 776 is at -2.187953 -4.976515 0.809158 ESP Fit Center 777 is at -1.796576 -5.138629 0.809158 ESP Fit Center 778 is 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ESP Fit Center 797 is at -0.956576 -4.298629 -0.210949 ESP Fit Center 798 is at -0.649114 -3.991168 -0.210949 ESP Fit Center 799 is at -0.502589 -2.129482 3.543028 ESP Fit Center 800 is at -0.067773 -2.129482 3.485784 ESP Fit Center 801 is at -0.285181 -1.752920 3.485784 ESP Fit Center 802 is at -0.719997 -1.752920 3.485784 ESP Fit Center 803 is at -0.937405 -2.129482 3.485784 ESP Fit Center 804 is at -0.719997 -2.506044 3.485784 ESP Fit Center 805 is at -0.285181 -2.506044 3.485784 ESP Fit Center 806 is at 0.337411 -2.129482 3.317951 ESP Fit Center 807 is at 0.224872 -1.709482 3.317951 ESP Fit Center 808 is at -0.082589 -1.402020 3.317951 ESP Fit Center 809 is at -0.502589 -1.289482 3.317951 ESP Fit Center 810 is at -0.922589 -1.402020 3.317951 ESP Fit Center 811 is at -1.230050 -1.709482 3.317951 ESP Fit Center 812 is at -0.922589 -2.856943 3.317951 ESP Fit Center 813 is at -0.502589 -2.969482 3.317951 ESP Fit Center 814 is at -0.082589 -2.856943 3.317951 ESP Fit Center 815 is at 0.224872 -2.549482 3.317951 ESP Fit Center 816 is at 0.685350 -2.129482 3.050968 ESP Fit Center 817 is at 0.605132 -1.700349 3.050968 ESP Fit Center 818 is at 0.375309 -1.329172 3.050968 ESP Fit Center 819 is at 0.026921 -1.066082 3.050968 ESP Fit Center 820 is at -0.392980 -0.946610 3.050968 ESP Fit Center 821 is at -0.827684 -0.986891 3.050968 ESP Fit Center 822 is at -1.218482 -1.181486 3.050968 ESP Fit Center 823 is at -0.392980 -3.312354 3.050968 ESP Fit Center 824 is at 0.026921 -3.192882 3.050968 ESP Fit Center 825 is at 0.375309 -2.929791 3.050968 ESP Fit Center 826 is at 0.605132 -2.558615 3.050968 ESP Fit Center 827 is at 0.952334 -2.129482 2.703028 ESP Fit Center 828 is at 0.887696 -1.700636 2.703028 ESP Fit Center 829 is at 0.699525 -1.309895 2.703028 ESP Fit Center 830 is at 0.404541 -0.991977 2.703028 ESP Fit Center 831 is at 0.028954 -0.775132 2.703028 ESP Fit Center 832 is at -0.393862 -0.678627 2.703028 ESP Fit Center 833 is at -0.826340 -0.711037 2.703028 ESP Fit Center 834 is at -1.230050 -0.869482 2.703028 ESP Fit Center 835 is at 0.028954 -3.483831 2.703028 ESP Fit Center 836 is at 0.404541 -3.266986 2.703028 ESP Fit Center 837 is at 0.699525 -2.949069 2.703028 ESP Fit Center 838 is at 0.887696 -2.558328 2.703028 ESP Fit Center 839 is at 1.120166 -2.129482 2.297844 ESP Fit Center 840 is at 1.064872 -1.709482 2.297844 ESP Fit Center 841 is at 0.902758 -1.318104 2.297844 ESP Fit Center 842 is at 0.644872 -0.982020 2.297844 ESP Fit Center 843 is at 0.308789 -0.724134 2.297844 ESP Fit Center 844 is at -0.082589 -0.562020 2.297844 ESP Fit Center 845 is at -0.502589 -0.506726 2.297844 ESP Fit Center 846 is at -0.922589 -0.562020 2.297844 ESP Fit Center 847 is at 0.308789 -3.534829 2.297844 ESP Fit Center 848 is at 0.644872 -3.276943 2.297844 ESP Fit Center 849 is at 0.902758 -2.940860 2.297844 ESP Fit Center 850 is at 1.064872 -2.549482 2.297844 ESP Fit Center 851 is at 1.177411 -2.129482 1.863028 ESP Fit Center 852 is at 1.124631 -1.711683 1.863028 ESP Fit Center 853 is at 0.969606 -1.320136 1.863028 ESP Fit Center 854 is at 0.722078 -0.979443 1.863028 ESP Fit Center 855 is at 0.397600 -0.711011 1.863028 ESP Fit Center 856 is at 0.397600 -3.547953 1.863028 ESP Fit Center 857 is at 0.722078 -3.279521 1.863028 ESP Fit Center 858 is at 0.969606 -2.938828 1.863028 ESP Fit Center 859 is at 1.124631 -2.547281 1.863028 ESP Fit Center 860 is at 1.120166 -2.129482 1.428212 ESP Fit Center 861 is at 1.064872 -1.709482 1.428212 ESP Fit Center 862 is at 0.644872 -3.276943 1.428212 ESP Fit Center 863 is at 0.902758 -2.940860 1.428212 ESP Fit Center 864 is at 1.064872 -2.549482 1.428212 ESP Fit Center 865 is at 0.952334 -2.129482 1.023028 ESP Fit Center 866 is at 0.699525 -2.949069 1.023028 ESP Fit Center 867 is at 0.887696 -2.558328 1.023028 ESP Fit Center 868 is at 3.816632 -0.636577 2.052565 ESP Fit Center 869 is at 4.226322 -0.636577 2.012214 ESP Fit Center 870 is at 4.021477 -0.281775 2.012214 ESP Fit Center 871 is at 3.611787 -0.281775 2.012214 ESP Fit Center 872 is at 3.406942 -0.636577 2.012214 ESP Fit Center 873 is at 3.611787 -0.991378 2.012214 ESP Fit Center 874 is at 4.021477 -0.991378 2.012214 ESP Fit Center 875 is at 4.512601 -0.234759 1.892712 ESP Fit Center 876 is at 4.218450 0.059392 1.892712 ESP Fit Center 877 is at 3.120664 -0.234759 1.892712 ESP Fit Center 878 is at 3.012997 -0.636577 1.892712 ESP Fit Center 879 is at 3.120664 -1.038394 1.892712 ESP Fit Center 880 is at 3.414815 -1.332545 1.892712 ESP Fit Center 881 is at 3.816632 -1.440212 1.892712 ESP Fit Center 882 is at 4.218450 -1.332545 1.892712 ESP Fit Center 883 is at 2.669800 -0.422196 1.698651 ESP Fit Center 884 is at 2.669800 -0.850957 1.698651 ESP Fit Center 885 is at 2.824686 -1.250764 1.698651 ESP Fit Center 886 is at 3.113540 -1.567621 1.698651 ESP Fit Center 887 is at 3.497350 -1.758736 1.698651 ESP Fit Center 888 is at 3.924281 -1.798297 1.698651 ESP Fit Center 889 is at 2.391858 -1.054928 1.437489 ESP Fit Center 890 is at 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ESP Fit Center 909 is at 3.611787 -0.281775 -2.107084 ESP Fit Center 910 is at 3.406942 -0.636577 -2.107084 ESP Fit Center 911 is at 3.611787 -0.991378 -2.107084 ESP Fit Center 912 is at 4.021477 -0.991378 -2.107084 ESP Fit Center 913 is at 3.816632 -0.636577 -2.147435 ESP Fit Center 914 is at -4.200537 -0.156117 3.178834 ESP Fit Center 915 is at -3.780243 -0.156117 3.151286 ESP Fit Center 916 is at -3.990390 0.207869 3.151286 ESP Fit Center 917 is at -4.410685 0.207869 3.151286 ESP Fit Center 918 is at -4.620832 -0.156117 3.151286 ESP Fit Center 919 is at -4.410685 -0.520102 3.151286 ESP Fit Center 920 is at -3.990390 -0.520102 3.151286 ESP Fit Center 921 is at -3.367140 -0.156117 3.069115 ESP Fit Center 922 is at -3.478794 0.260582 3.069115 ESP Fit Center 923 is at -3.783839 0.565626 3.069115 ESP Fit Center 924 is at -4.200537 0.677280 3.069115 ESP Fit Center 925 is at -4.617236 0.565626 3.069115 ESP Fit Center 926 is at -4.922281 0.260582 3.069115 ESP Fit Center 927 is at -5.033935 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Center 1239 is at -6.032064 2.188130 -1.273407 ESP Fit Center 1240 is at -6.340496 1.910417 -1.273407 ESP Fit Center 1241 is at -6.607276 1.592481 -1.273407 ESP Fit Center 1242 is at -6.827211 1.240510 -1.273407 ESP Fit Center 1243 is at -6.996022 0.861356 -1.273407 ESP Fit Center 1244 is at -7.110421 0.462398 -1.273407 ESP Fit Center 1245 is at -7.168183 0.051401 -1.273407 ESP Fit Center 1246 is at -7.168183 -0.363635 -1.273407 ESP Fit Center 1247 is at -7.110421 -0.774632 -1.273407 ESP Fit Center 1248 is at -6.996022 -1.173590 -1.273407 ESP Fit Center 1249 is at -6.827211 -1.552744 -1.273407 ESP Fit Center 1250 is at -6.607276 -1.904715 -1.273407 ESP Fit Center 1251 is at -6.340496 -2.222651 -1.273407 ESP Fit Center 1252 is at -6.032064 -2.500364 -1.273407 ESP Fit Center 1253 is at -5.687984 -2.732449 -1.273407 ESP Fit Center 1254 is at -5.314952 -2.914389 -1.273407 ESP Fit Center 1255 is at -4.920229 -3.042642 -1.273407 ESP Fit Center 1256 is at -4.511498 -3.114712 -1.273407 ESP Fit Center 1257 is at -3.181747 2.439719 -1.651166 ESP Fit Center 1258 is at -3.580015 2.562569 -1.651166 ESP Fit Center 1259 is at -3.992145 2.624687 -1.651166 ESP Fit Center 1260 is at -4.408930 2.624687 -1.651166 ESP Fit Center 1261 is at -4.821060 2.562569 -1.651166 ESP Fit Center 1262 is at -5.219328 2.439719 -1.651166 ESP Fit Center 1263 is at -5.594838 2.258883 -1.651166 ESP Fit Center 1264 is at -5.939202 2.024100 -1.651166 ESP Fit Center 1265 is at -6.244727 1.740614 -1.651166 ESP Fit Center 1266 is at -6.504588 1.414758 -1.651166 ESP Fit Center 1267 is at -6.712981 1.053812 -1.651166 ESP Fit Center 1268 is at -6.865250 0.665838 -1.651166 ESP Fit Center 1269 is at -6.957993 0.259503 -1.651166 ESP Fit Center 1270 is at -6.989139 -0.156117 -1.651166 ESP Fit Center 1271 is at -6.957993 -0.571736 -1.651166 ESP Fit Center 1272 is at -6.865250 -0.978072 -1.651166 ESP Fit Center 1273 is at -6.712981 -1.366046 -1.651166 ESP Fit Center 1274 is at -6.504588 -1.726992 -1.651166 ESP Fit Center 1275 is at -6.244727 -2.052848 -1.651166 ESP Fit Center 1276 is at -5.939202 -2.336334 -1.651166 ESP Fit Center 1277 is at -5.594838 -2.571117 -1.651166 ESP Fit Center 1278 is at -5.219328 -2.751953 -1.651166 ESP Fit Center 1279 is at -4.821060 -2.874803 -1.651166 ESP Fit Center 1280 is at -4.408930 -2.936921 -1.651166 ESP Fit Center 1281 is at -2.803305 1.982507 -2.001378 ESP Fit Center 1282 is at -3.174367 2.183316 -2.001378 ESP Fit Center 1283 is at -3.573421 2.320311 -2.001378 ESP Fit Center 1284 is at -3.989580 2.389756 -2.001378 ESP Fit Center 1285 is at -4.411494 2.389756 -2.001378 ESP Fit Center 1286 is at -4.827654 2.320311 -2.001378 ESP Fit Center 1287 is at -5.226708 2.183316 -2.001378 ESP Fit Center 1288 is at -5.597770 1.982507 -2.001378 ESP Fit Center 1289 is at -5.930719 1.723362 -2.001378 ESP Fit Center 1290 is at -6.216474 1.412950 -2.001378 ESP Fit Center 1291 is at -6.447239 1.059737 -2.001378 ESP Fit Center 1292 is at -6.616720 0.673360 -2.001378 ESP Fit Center 1293 is at -6.720294 0.264356 -2.001378 ESP Fit Center 1294 is at -6.755135 -0.156117 -2.001378 ESP Fit Center 1295 is at -6.720294 -0.576590 -2.001378 ESP Fit Center 1296 is at -6.616720 -0.985593 -2.001378 ESP Fit Center 1297 is at -6.447239 -1.371971 -2.001378 ESP Fit Center 1298 is at -6.216474 -1.725183 -2.001378 ESP Fit Center 1299 is at -5.930719 -2.035596 -2.001378 ESP Fit Center 1300 is at -5.597770 -2.294740 -2.001378 ESP Fit Center 1301 is at -5.226708 -2.495549 -2.001378 ESP Fit Center 1302 is at -4.827654 -2.632545 -2.001378 ESP Fit Center 1303 is at -4.411494 -2.701989 -2.001378 ESP Fit Center 1304 is at -3.989580 -2.701989 -2.001378 ESP Fit Center 1305 is at -1.923654 -0.156117 -2.318050 ESP Fit Center 1306 is at -1.962422 0.262259 -2.318050 ESP Fit Center 1307 is at -2.077407 0.666388 -2.318050 ESP Fit Center 1308 is at -2.264692 1.042508 -2.318050 ESP Fit Center 1309 is at -2.517900 1.377810 -2.318050 ESP Fit Center 1310 is at -2.828408 1.660876 -2.318050 ESP Fit Center 1311 is at -3.185643 1.882066 -2.318050 ESP Fit Center 1312 is at -3.577439 2.033848 -2.318050 ESP Fit Center 1313 is at -3.990453 2.111054 -2.318050 ESP Fit Center 1314 is at -4.410622 2.111054 -2.318050 ESP Fit Center 1315 is at -4.823636 2.033848 -2.318050 ESP Fit Center 1316 is at -5.215432 1.882066 -2.318050 ESP Fit Center 1317 is at -5.572667 1.660876 -2.318050 ESP Fit Center 1318 is at -5.883175 1.377810 -2.318050 ESP Fit Center 1319 is at -6.136383 1.042508 -2.318050 ESP Fit Center 1320 is at -6.323668 0.666388 -2.318050 ESP Fit Center 1321 is at -6.438653 0.262259 -2.318050 ESP Fit Center 1322 is at -6.477421 -0.156117 -2.318050 ESP Fit Center 1323 is at -6.438653 -0.574493 -2.318050 ESP Fit Center 1324 is at -6.323668 -0.978622 -2.318050 ESP Fit Center 1325 is at -6.136383 -1.354742 -2.318050 ESP Fit Center 1326 is at -5.883175 -1.690044 -2.318050 ESP Fit Center 1327 is at -5.572667 -1.973109 -2.318050 ESP Fit Center 1328 is at -5.215432 -2.194300 -2.318050 ESP Fit Center 1329 is at -4.823636 -2.346082 -2.318050 ESP Fit Center 1330 is at -4.410622 -2.423288 -2.318050 ESP Fit Center 1331 is at -3.990453 -2.423288 -2.318050 ESP Fit Center 1332 is at -2.077407 -0.978622 -2.318050 ESP Fit Center 1333 is at -1.962422 -0.574493 -2.318050 ESP Fit Center 1334 is at -2.240326 -0.156117 -2.595764 ESP Fit Center 1335 is at -2.286154 0.265271 -2.595764 ESP Fit Center 1336 is at -2.421497 0.666955 -2.595764 ESP Fit Center 1337 is at -2.640026 1.030153 -2.595764 ESP Fit Center 1338 is at -2.931523 1.337882 -2.595764 ESP Fit Center 1339 is at -3.282358 1.575754 -2.595764 ESP Fit Center 1340 is at -3.676125 1.732645 -2.595764 ESP Fit Center 1341 is at -4.094414 1.801220 -2.595764 ESP Fit Center 1342 is at -4.517664 1.778272 -2.595764 ESP Fit Center 1343 is at -4.926087 1.664874 -2.595764 ESP Fit Center 1344 is at -5.300583 1.466329 -2.595764 ESP Fit Center 1345 is at -5.623642 1.191920 -2.595764 ESP Fit Center 1346 is at -5.880159 0.854478 -2.595764 ESP Fit Center 1347 is at -6.058138 0.469782 -2.595764 ESP Fit Center 1348 is at -6.149258 0.055819 -2.595764 ESP Fit Center 1349 is at -6.149258 -0.368053 -2.595764 ESP Fit Center 1350 is at -6.058138 -0.782015 -2.595764 ESP Fit Center 1351 is at -5.880159 -1.166712 -2.595764 ESP Fit Center 1352 is at -5.623642 -1.504153 -2.595764 ESP Fit Center 1353 is at -5.300583 -1.778563 -2.595764 ESP Fit Center 1354 is at -4.926087 -1.977108 -2.595764 ESP Fit Center 1355 is at -4.517664 -2.090506 -2.595764 ESP Fit Center 1356 is at -4.094414 -2.113454 -2.595764 ESP Fit Center 1357 is at -3.676125 -2.044879 -2.595764 ESP Fit Center 1358 is at -3.282358 -1.887988 -2.595764 ESP Fit Center 1359 is at -2.640026 -1.342387 -2.595764 ESP Fit Center 1360 is at -2.421497 -0.979188 -2.595764 ESP Fit Center 1361 is at -2.286154 -0.577504 -2.595764 ESP Fit Center 1362 is at -2.590537 -0.156117 -2.829768 ESP Fit Center 1363 is at -2.645397 0.260582 -2.829768 ESP Fit Center 1364 is at -2.806237 0.648883 -2.829768 ESP Fit Center 1365 is at -3.062096 0.982325 -2.829768 ESP Fit Center 1366 is at -3.395537 1.238184 -2.829768 ESP Fit Center 1367 is at -3.783839 1.399024 -2.829768 ESP Fit Center 1368 is at -4.200537 1.453883 -2.829768 ESP Fit Center 1369 is at -4.617236 1.399024 -2.829768 ESP Fit Center 1370 is at -5.005537 1.238184 -2.829768 ESP Fit Center 1371 is at -5.338979 0.982325 -2.829768 ESP Fit Center 1372 is at -5.594838 0.648883 -2.829768 ESP Fit Center 1373 is at -5.755678 0.260582 -2.829768 ESP Fit Center 1374 is at -5.810537 -0.156117 -2.829768 ESP Fit Center 1375 is at -5.755678 -0.572816 -2.829768 ESP Fit Center 1376 is at -5.594838 -0.961117 -2.829768 ESP Fit Center 1377 is at -5.338979 -1.294559 -2.829768 ESP Fit Center 1378 is at -5.005537 -1.550418 -2.829768 ESP Fit Center 1379 is at -4.617236 -1.711257 -2.829768 ESP Fit Center 1380 is at -4.200537 -1.766117 -2.829768 ESP Fit Center 1381 is at -3.783839 -1.711257 -2.829768 ESP Fit Center 1382 is at -3.395537 -1.550418 -2.829768 ESP Fit Center 1383 is at -3.062096 -1.294559 -2.829768 ESP Fit Center 1384 is at -2.806237 -0.961117 -2.829768 ESP Fit Center 1385 is at -2.645397 -0.572816 -2.829768 ESP Fit Center 1386 is at -2.968297 -0.156117 -3.016058 ESP Fit Center 1387 is at -3.042610 0.265334 -3.016058 ESP Fit Center 1388 is at -3.256586 0.635952 -3.016058 ESP Fit Center 1389 is at -3.584417 0.911035 -3.016058 ESP Fit Center 1390 is at -3.986561 1.057403 -3.016058 ESP Fit Center 1391 is at -4.414514 1.057403 -3.016058 ESP Fit Center 1392 is at -4.816658 0.911035 -3.016058 ESP Fit Center 1393 is at -5.144489 0.635952 -3.016058 ESP Fit Center 1394 is at -5.358465 0.265334 -3.016058 ESP Fit Center 1395 is at -5.432778 -0.156117 -3.016058 ESP Fit Center 1396 is at -5.358465 -0.577568 -3.016058 ESP Fit Center 1397 is at -5.144489 -0.948186 -3.016058 ESP Fit Center 1398 is at -4.816658 -1.223269 -3.016058 ESP Fit Center 1399 is at -4.414514 -1.369637 -3.016058 ESP Fit Center 1400 is at -3.986561 -1.369637 -3.016058 ESP Fit Center 1401 is at -3.584417 -1.223269 -3.016058 ESP Fit Center 1402 is at -3.256586 -0.948186 -3.016058 ESP Fit Center 1403 is at -3.042610 -0.577568 -3.016058 ESP Fit Center 1404 is at -3.367140 -0.156117 -3.151447 ESP Fit Center 1405 is at -3.478794 0.260582 -3.151447 ESP Fit Center 1406 is at -3.783839 0.565626 -3.151447 ESP Fit Center 1407 is at -4.200537 0.677280 -3.151447 ESP Fit Center 1408 is at -4.617236 0.565626 -3.151447 ESP Fit Center 1409 is at -4.922281 0.260582 -3.151447 ESP Fit Center 1410 is at -5.033935 -0.156117 -3.151447 ESP Fit Center 1411 is at -4.922281 -0.572816 -3.151447 ESP Fit Center 1412 is at -4.617236 -0.877860 -3.151447 ESP Fit Center 1413 is at -4.200537 -0.989514 -3.151447 ESP Fit Center 1414 is at -3.783839 -0.877860 -3.151447 ESP Fit Center 1415 is at -3.478794 -0.572816 -3.151447 ESP Fit Center 1416 is at -3.780243 -0.156117 -3.233619 ESP Fit Center 1417 is at -3.990390 0.207869 -3.233619 ESP Fit Center 1418 is at -4.410685 0.207869 -3.233619 ESP Fit Center 1419 is at -4.620832 -0.156117 -3.233619 ESP Fit Center 1420 is at -4.410685 -0.520102 -3.233619 ESP Fit Center 1421 is at -3.990390 -0.520102 -3.233619 ESP Fit Center 1422 is at -4.200537 -0.156117 -3.261166 ESP Fit Center 1423 is at 2.799102 2.977609 1.702713 ESP Fit Center 1424 is at 2.581694 3.354171 1.702713 ESP Fit Center 1425 is at 3.204286 2.977609 1.534880 ESP Fit Center 1426 is at 3.091747 3.397609 1.534880 ESP Fit Center 1427 is at 2.784286 3.705071 1.534880 ESP Fit Center 1428 is at 2.364286 3.817609 1.534880 ESP Fit Center 1429 is at 3.552225 2.977609 1.267897 ESP Fit Center 1430 is at 3.472006 3.406743 1.267897 ESP Fit Center 1431 is at 3.242183 3.777919 1.267897 ESP Fit Center 1432 is at 2.893796 4.041009 1.267897 ESP Fit Center 1433 is at 2.473895 4.160481 1.267897 ESP Fit Center 1434 is at 2.039190 4.120200 1.267897 ESP Fit Center 1435 is at 3.472006 2.548476 1.267897 ESP Fit Center 1436 is at 3.819208 2.977609 0.919958 ESP Fit Center 1437 is at 3.754570 3.406455 0.919958 ESP Fit Center 1438 is at 3.566399 3.797197 0.919958 ESP Fit Center 1439 is at 3.271415 4.115114 0.919958 ESP Fit Center 1440 is at 2.895828 4.331959 0.919958 ESP Fit Center 1441 is at 2.473012 4.428464 0.919958 ESP Fit Center 1442 is at 2.040535 4.396054 0.919958 ESP Fit Center 1443 is at 3.754570 2.548763 0.919958 ESP Fit Center 1444 is at 3.987041 2.977609 0.514774 ESP Fit Center 1445 is at 3.931747 3.397609 0.514774 ESP Fit Center 1446 is at 3.769633 3.788987 0.514774 ESP Fit Center 1447 is at 3.511747 4.125071 0.514774 ESP Fit Center 1448 is at 3.175663 4.382957 0.514774 ESP Fit Center 1449 is at 2.784286 4.545071 0.514774 ESP Fit Center 1450 is at 2.364286 4.600365 0.514774 ESP Fit Center 1451 is at 1.944286 4.545071 0.514774 ESP Fit Center 1452 is at 3.931747 2.557609 0.514774 ESP Fit Center 1453 is at 4.044286 2.977609 0.079958 ESP Fit Center 1454 is at 3.991505 3.395408 0.079958 ESP Fit Center 1455 is at 3.836481 3.786956 0.079958 ESP Fit Center 1456 is at 3.588953 4.127649 0.079958 ESP Fit Center 1457 is at 3.264475 4.396080 0.079958 ESP Fit Center 1458 is at 2.883434 4.575384 0.079958 ESP Fit Center 1459 is at 2.469774 4.654294 0.079958 ESP Fit Center 1460 is at 2.049485 4.627852 0.079958 ESP Fit Center 1461 is at 3.987041 2.977609 -0.354858 ESP Fit Center 1462 is at 3.931747 3.397609 -0.354858 ESP Fit Center 1463 is at 3.769633 3.788987 -0.354858 ESP Fit Center 1464 is at 3.511747 4.125071 -0.354858 ESP Fit Center 1465 is at 3.175663 4.382957 -0.354858 ESP Fit Center 1466 is at 2.784286 4.545071 -0.354858 ESP Fit Center 1467 is at 2.364286 4.600365 -0.354858 ESP Fit Center 1468 is at 1.944286 4.545071 -0.354858 ESP Fit Center 1469 is at 3.819208 2.977609 -0.760042 ESP Fit Center 1470 is at 3.754570 3.406455 -0.760042 ESP Fit Center 1471 is at 3.566399 3.797197 -0.760042 ESP Fit Center 1472 is at 3.271415 4.115114 -0.760042 ESP Fit Center 1473 is at 2.895828 4.331959 -0.760042 ESP Fit Center 1474 is at 2.473012 4.428464 -0.760042 ESP Fit Center 1475 is at 2.040535 4.396054 -0.760042 ESP Fit Center 1476 is at 3.754570 2.548763 -0.760042 ESP Fit Center 1477 is at 3.552225 2.977609 -1.107982 ESP Fit Center 1478 is at 3.472006 3.406743 -1.107982 ESP Fit Center 1479 is at 3.242183 3.777919 -1.107982 ESP Fit Center 1480 is at 2.893796 4.041009 -1.107982 ESP Fit Center 1481 is at 2.473895 4.160481 -1.107982 ESP Fit Center 1482 is at 2.039190 4.120200 -1.107982 ESP Fit Center 1483 is at 3.472006 2.548476 -1.107982 ESP Fit Center 1484 is at 3.204286 2.977609 -1.374965 ESP Fit Center 1485 is at 3.091747 3.397609 -1.374965 ESP Fit Center 1486 is at 2.784286 3.705071 -1.374965 ESP Fit Center 1487 is at 2.364286 3.817609 -1.374965 ESP Fit Center 1488 is at 2.581694 3.354171 -1.542798 ESP Fit Center 1489 is at -2.294472 -2.113052 3.428231 ESP Fit Center 1490 is at -1.859656 -2.113052 3.370986 ESP Fit Center 1491 is at -2.077064 -1.736491 3.370986 ESP Fit Center 1492 is at -2.511880 -1.736491 3.370986 ESP Fit Center 1493 is at -2.729288 -2.113052 3.370986 ESP Fit Center 1494 is at -2.511880 -2.489614 3.370986 ESP Fit Center 1495 is at -2.077064 -2.489614 3.370986 ESP Fit Center 1496 is at -1.874472 -1.385591 3.203154 ESP Fit Center 1497 is at -2.294472 -1.273052 3.203154 ESP Fit Center 1498 is at -2.714472 -1.385591 3.203154 ESP Fit Center 1499 is at -3.021933 -1.693052 3.203154 ESP Fit Center 1500 is at -3.134472 -2.113052 3.203154 ESP Fit Center 1501 is at -3.021933 -2.533052 3.203154 ESP Fit Center 1502 is at -2.714472 -2.840514 3.203154 ESP Fit Center 1503 is at -2.294472 -2.953052 3.203154 ESP Fit Center 1504 is at -1.764962 -1.049653 2.936170 ESP Fit Center 1505 is at -2.184863 -0.930181 2.936170 ESP Fit Center 1506 is at -2.619567 -0.970462 2.936170 ESP Fit Center 1507 is at -3.010366 -1.165056 2.936170 ESP Fit Center 1508 is at -3.304479 -1.487683 2.936170 ESP Fit Center 1509 is at -3.462185 -1.894769 2.936170 ESP Fit Center 1510 is at -3.462185 -2.331336 2.936170 ESP Fit Center 1511 is at -3.304479 -2.738422 2.936170 ESP Fit Center 1512 is at -3.010366 -3.061049 2.936170 ESP Fit Center 1513 is at -2.619567 -3.255643 2.936170 ESP Fit Center 1514 is at -1.762929 -0.758703 2.588231 ESP Fit Center 1515 is at -2.185746 -0.662198 2.588231 ESP Fit Center 1516 is at -3.733145 -2.329897 2.588231 ESP Fit Center 1517 is at -3.605312 -2.744320 2.588231 ESP Fit Center 1518 is at -3.361006 -3.102651 2.588231 ESP Fit Center 1519 is at -3.021933 -3.373052 2.588231 ESP Fit Center 1520 is at -1.874472 -0.545591 2.183047 ESP Fit Center 1521 is at -3.861933 -2.533052 2.183047 ESP Fit Center 1522 is at -3.699820 -2.924430 2.183047 ESP Fit Center 1523 is at -3.441933 -3.260514 2.183047 ESP Fit Center 1524 is at -3.105850 -3.518400 2.183047 ESP Fit Center 1525 is at -3.653621 -3.100532 1.748231 ESP Fit Center 1526 is at -3.365344 -3.407515 1.748231 ESP Fit Center 1527 is at -3.441933 -3.260514 1.313415 ESP Fit Center 1528 is at -3.133158 -3.781793 0.546086 ESP Fit Center 1529 is at -2.825696 -4.089254 0.546086 ESP Fit Center 1530 is at -3.573409 -3.580076 0.279103 ESP Fit Center 1531 is at -3.415703 -3.987162 0.279103 ESP Fit Center 1532 is at -3.121590 -4.309789 0.279103 ESP Fit Center 1533 is at -2.730791 -4.504383 0.279103 ESP Fit Center 1534 is at -3.844369 -3.578638 -0.068836 ESP Fit Center 1535 is at -3.716536 -3.993060 -0.068836 ESP Fit Center 1536 is at -3.472230 -4.351392 -0.068836 ESP Fit Center 1537 is at -3.133158 -4.621793 -0.068836 ESP Fit Center 1538 is at -2.729447 -4.780238 -0.068836 ESP Fit Center 1539 is at -2.296970 -4.812647 -0.068836 ESP Fit Center 1540 is at -1.874153 -4.716142 -0.068836 ESP Fit Center 1541 is at -3.973158 -3.781793 -0.474020 ESP Fit Center 1542 is at -3.811044 -4.173171 -0.474020 ESP Fit Center 1543 is at -3.553158 -4.509254 -0.474020 ESP Fit Center 1544 is at -3.217074 -4.767140 -0.474020 ESP Fit Center 1545 is at -2.825696 -4.929254 -0.474020 ESP Fit Center 1546 is at -2.405696 -4.984548 -0.474020 ESP Fit Center 1547 is at -1.985696 -4.929254 -0.474020 ESP Fit Center 1548 is at -1.594319 -4.767140 -0.474020 ESP Fit Center 1549 is at -1.258235 -4.509254 -0.474020 ESP Fit Center 1550 is at -1.000349 -4.173171 -0.474020 ESP Fit Center 1551 is at -4.072449 -3.572353 -0.908836 ESP Fit Center 1552 is at -3.967721 -3.980242 -0.908836 ESP Fit Center 1553 is at -3.764845 -4.349272 -0.908836 ESP Fit Center 1554 is at -3.476569 -4.656255 -0.908836 ESP Fit Center 1555 is at -3.121005 -4.881902 -0.908836 ESP Fit Center 1556 is at -2.720497 -5.012035 -0.908836 ESP Fit Center 1557 is at -2.300208 -5.038478 -0.908836 ESP Fit Center 1558 is at -1.886548 -4.959568 -0.908836 ESP Fit Center 1559 is at -1.505507 -4.780264 -0.908836 ESP Fit Center 1560 is at -1.181029 -4.511832 -0.908836 ESP Fit Center 1561 is at -0.933501 -4.171139 -0.908836 ESP Fit Center 1562 is at -3.973158 -3.781793 -1.343652 ESP Fit Center 1563 is at -3.811044 -4.173171 -1.343652 ESP Fit Center 1564 is at -3.553158 -4.509254 -1.343652 ESP Fit Center 1565 is at -3.217074 -4.767140 -1.343652 ESP Fit Center 1566 is at -2.825696 -4.929254 -1.343652 ESP Fit Center 1567 is at -2.405696 -4.984548 -1.343652 ESP Fit Center 1568 is at -1.985696 -4.929254 -1.343652 ESP Fit Center 1569 is at -1.594319 -4.767140 -1.343652 ESP Fit Center 1570 is at -1.258235 -4.509254 -1.343652 ESP Fit Center 1571 is at -1.000349 -4.173171 -1.343652 ESP Fit Center 1572 is at -0.838235 -3.781793 -1.343652 ESP Fit Center 1573 is at -3.844369 -3.578638 -1.748836 ESP Fit Center 1574 is at -3.716536 -3.993060 -1.748836 ESP Fit Center 1575 is at -3.472230 -4.351392 -1.748836 ESP Fit Center 1576 is at -3.133158 -4.621793 -1.748836 ESP Fit Center 1577 is at -2.729447 -4.780238 -1.748836 ESP Fit Center 1578 is at -2.296970 -4.812647 -1.748836 ESP Fit Center 1579 is at -1.874153 -4.716142 -1.748836 ESP Fit Center 1580 is at -1.498567 -4.499297 -1.748836 ESP Fit Center 1581 is at -1.203583 -4.181380 -1.748836 ESP Fit Center 1582 is at -1.015412 -3.790639 -1.748836 ESP Fit Center 1583 is at -3.573409 -3.580076 -2.096776 ESP Fit Center 1584 is at -3.415703 -3.987162 -2.096776 ESP Fit Center 1585 is at -3.121590 -4.309789 -2.096776 ESP Fit Center 1586 is at -2.730791 -4.504383 -2.096776 ESP Fit Center 1587 is at -2.296087 -4.544665 -2.096776 ESP Fit Center 1588 is at -1.876186 -4.425193 -2.096776 ESP Fit Center 1589 is at -1.527798 -4.162102 -2.096776 ESP Fit Center 1590 is at -1.297976 -3.790926 -2.096776 ESP Fit Center 1591 is at -1.565696 -3.361793 -2.363759 ESP Fit Center 1592 is at -3.245696 -3.361793 -2.363759 ESP Fit Center 1593 is at -3.133158 -3.781793 -2.363759 ESP Fit Center 1594 is at -2.825696 -4.089254 -2.363759 ESP Fit Center 1595 is at -2.405696 -4.201793 -2.363759 ESP Fit Center 1596 is at -1.985696 -4.089254 -2.363759 ESP Fit Center 1597 is at -1.678235 -3.781793 -2.363759 ESP Fit Center 1598 is at -1.970880 -3.361793 -2.531592 ESP Fit Center 1599 is at -2.840512 -3.361793 -2.531592 ESP Fit Center 1600 is at -2.623104 -3.738355 -2.531592 ESP Fit Center 1601 is at -2.188288 -3.738355 -2.531592 ESP Fit Center 1602 is at -2.405696 -3.361793 -2.588836 ESP Fit Center 1603 is at 5.181956 -0.906444 2.042976 ESP Fit Center 1604 is at 5.591646 -0.906444 2.002625 ESP Fit Center 1605 is at 5.386801 -0.551643 2.002625 ESP Fit Center 1606 is at 4.977111 -0.551643 2.002625 ESP Fit Center 1607 is at 4.772266 -0.906444 2.002625 ESP Fit Center 1608 is at 4.977111 -1.261246 2.002625 ESP Fit Center 1609 is at 5.386801 -1.261246 2.002625 ESP Fit Center 1610 is at 5.985591 -0.906444 1.883123 ESP Fit Center 1611 is at 4.780138 -0.210476 1.883123 ESP Fit Center 1612 is at 4.485988 -1.308262 1.883123 ESP Fit Center 1613 is at 5.877925 -1.308262 1.883123 ESP Fit Center 1614 is at 5.985591 -0.906444 -1.997171 ESP Fit Center 1615 is at 4.780138 -0.210476 -1.997171 ESP Fit Center 1616 is at 4.485988 -1.308262 -1.997171 ESP Fit Center 1617 is at 5.877925 -1.308262 -1.997171 ESP Fit Center 1618 is at 5.591646 -0.906444 -2.116673 ESP Fit Center 1619 is at 5.386801 -0.551643 -2.116673 ESP Fit Center 1620 is at 4.977111 -0.551643 -2.116673 ESP Fit Center 1621 is at 4.772266 -0.906444 -2.116673 ESP Fit Center 1622 is at 4.977111 -1.261246 -2.116673 ESP Fit Center 1623 is at 5.386801 -1.261246 -2.116673 ESP Fit Center 1624 is at 5.181956 -0.906444 -2.157024 ESP Fit Center 1625 is at 2.681509 -1.432932 1.568904 ESP Fit Center 1626 is at 2.898917 -1.809494 1.568904 ESP Fit Center 1627 is at 2.276325 -1.432932 1.401071 ESP Fit Center 1628 is at 2.388863 -1.852932 1.401071 ESP Fit Center 1629 is at 2.696325 -2.160394 1.401071 ESP Fit Center 1630 is at 3.116325 -2.272932 1.401071 ESP Fit Center 1631 is at 3.536325 -2.160394 1.401071 ESP Fit Center 1632 is at 1.948612 -1.651216 1.134088 ESP Fit Center 1633 is at 2.106318 -2.058302 1.134088 ESP Fit Center 1634 is at 2.400431 -2.380928 1.134088 ESP Fit Center 1635 is at 2.791230 -2.575523 1.134088 ESP Fit Center 1636 is at 3.225934 -2.615804 1.134088 ESP Fit Center 1637 is at 1.805485 -2.064200 0.786149 ESP Fit Center 1638 is at 2.049791 -2.422531 0.786149 ESP Fit Center 1639 is at 2.388863 -2.692932 0.786149 ESP Fit Center 1640 is at 2.792574 -2.851377 0.786149 ESP Fit Center 1641 is at 3.225051 -2.883787 0.786149 ESP Fit Center 1642 is at 1.710977 -2.244310 0.380965 ESP Fit Center 1643 is at 1.968863 -2.580394 0.380965 ESP Fit Center 1644 is at 2.304947 -2.838280 0.380965 ESP Fit Center 1645 is at 2.696325 -3.000394 0.380965 ESP Fit Center 1646 is at 3.116325 -3.055688 0.380965 ESP Fit Center 1647 is at 3.536325 -3.000394 0.380965 ESP Fit Center 1648 is at 1.757176 -2.420411 -0.053851 ESP Fit Center 1649 is at 2.045452 -2.727394 -0.053851 ESP Fit Center 1650 is at 2.401016 -2.953042 -0.053851 ESP Fit Center 1651 is at 2.801524 -3.083175 -0.053851 ESP Fit Center 1652 is at 3.221813 -3.109617 -0.053851 ESP Fit Center 1653 is at 3.635473 -3.030707 -0.053851 ESP Fit Center 1654 is at 1.710977 -2.244310 -0.488667 ESP Fit Center 1655 is at 1.968863 -2.580394 -0.488667 ESP Fit Center 1656 is at 2.304947 -2.838280 -0.488667 ESP Fit Center 1657 is at 2.696325 -3.000394 -0.488667 ESP Fit Center 1658 is at 3.116325 -3.055688 -0.488667 ESP Fit Center 1659 is at 3.536325 -3.000394 -0.488667 ESP Fit Center 1660 is at 1.805485 -2.064200 -0.893851 ESP Fit Center 1661 is at 2.049791 -2.422531 -0.893851 ESP Fit Center 1662 is at 2.388863 -2.692932 -0.893851 ESP Fit Center 1663 is at 2.792574 -2.851377 -0.893851 ESP Fit Center 1664 is at 3.225051 -2.883787 -0.893851 ESP Fit Center 1665 is at 1.948612 -1.651216 -1.241791 ESP Fit Center 1666 is at 2.106318 -2.058302 -1.241791 ESP Fit Center 1667 is at 2.400431 -2.380928 -1.241791 ESP Fit Center 1668 is at 2.791230 -2.575523 -1.241791 ESP Fit Center 1669 is at 3.225934 -2.615804 -1.241791 ESP Fit Center 1670 is at 2.276325 -1.432932 -1.508774 ESP Fit Center 1671 is at 2.388863 -1.852932 -1.508774 ESP Fit Center 1672 is at 2.696325 -2.160394 -1.508774 ESP Fit Center 1673 is at 3.116325 -2.272932 -1.508774 ESP Fit Center 1674 is at 3.536325 -2.160394 -1.508774 ESP Fit Center 1675 is at 2.681509 -1.432932 -1.676607 ESP Fit Center 1676 is at 2.898917 -1.809494 -1.676607 ESP Fit Center 1677 is at 6.119315 -0.627474 1.880973 ESP Fit Center 1678 is at 6.521133 -0.519807 1.880973 ESP Fit Center 1679 is at 6.815284 -0.225656 1.880973 ESP Fit Center 1680 is at 7.286013 0.176161 1.686912 ESP Fit Center 1681 is at 6.639357 -0.868224 1.686912 ESP Fit Center 1682 is at 6.981515 -0.609838 1.686912 ESP Fit Center 1683 is at 7.207228 -0.245299 1.686912 ESP Fit Center 1684 is at 7.544090 0.594513 1.425750 ESP Fit Center 1685 is at 6.736175 -1.174573 1.425750 ESP Fit Center 1686 is at 7.665398 0.987608 1.107524 ESP Fit Center 1687 is at 7.663853 1.350288 0.744461 ESP Fit Center 1688 is at 7.809800 1.352773 0.350516 ESP Fit Center 1689 is at 7.538345 1.668980 0.350516 ESP Fit Center 1690 is at 7.208795 1.924071 0.350516 ESP Fit Center 1691 is at 7.865401 1.342859 -0.059174 ESP Fit Center 1692 is at 7.604239 1.661085 -0.059174 ESP Fit Center 1693 is at 7.286013 1.922247 -0.059174 ESP Fit Center 1694 is at 6.922950 2.116308 -0.059174 ESP Fit Center 1695 is at 6.529005 2.235810 -0.059174 ESP Fit Center 1696 is at 6.119315 2.276161 -0.059174 ESP Fit Center 1697 is at 5.709626 2.235810 -0.059174 ESP Fit Center 1698 is at 5.315680 2.116308 -0.059174 ESP Fit Center 1699 is at 7.809800 1.352773 -0.468863 ESP Fit Center 1700 is at 7.538345 1.668980 -0.468863 ESP Fit Center 1701 is at 7.208795 1.924071 -0.468863 ESP Fit Center 1702 is at 7.663853 1.350288 -0.862809 ESP Fit Center 1703 is at 7.665398 0.987608 -1.225871 ESP Fit Center 1704 is at 7.544090 0.594513 -1.544098 ESP Fit Center 1705 is at 6.736175 -1.174573 -1.544098 ESP Fit Center 1706 is at 7.286013 0.176161 -1.805260 ESP Fit Center 1707 is at 6.639357 -0.868224 -1.805260 ESP Fit Center 1708 is at 6.981515 -0.609838 -1.805260 ESP Fit Center 1709 is at 7.207228 -0.245299 -1.805260 ESP Fit Center 1710 is at 6.119315 -0.627474 -1.999321 ESP Fit Center 1711 is at 6.521133 -0.519807 -1.999321 ESP Fit Center 1712 is at 6.815284 -0.225656 -1.999321 ESP Fit Center 1713 is at 6.450025 -2.259011 1.876674 ESP Fit Center 1714 is at 6.342358 -1.857193 1.876674 ESP Fit Center 1715 is at 6.048208 -1.563043 1.876674 ESP Fit Center 1716 is at 6.813087 -2.259011 1.682613 ESP Fit Center 1717 is at 6.734303 -1.837551 1.682613 ESP Fit Center 1718 is at 6.508590 -1.473012 1.682613 ESP Fit Center 1719 is at 6.734303 -2.680471 1.682613 ESP Fit Center 1720 is at 6.895588 -1.456200 1.421451 ESP Fit Center 1721 is at 6.638280 -3.696012 1.103225 ESP Fit Center 1722 is at 6.555171 -3.973154 0.740162 ESP Fit Center 1723 is at 5.958278 -4.294909 0.346217 ESP Fit Center 1724 is at 6.361717 -4.190451 0.346217 ESP Fit Center 1725 is at 6.735870 -4.006920 0.346217 ESP Fit Center 1726 is at 3.706243 -3.062646 -0.063473 ESP Fit Center 1727 is at 3.900304 -3.425709 -0.063473 ESP Fit Center 1728 is at 4.161466 -3.743935 -0.063473 ESP Fit Center 1729 is at 4.479692 -4.005097 -0.063473 ESP Fit Center 1730 is at 4.842755 -4.199158 -0.063473 ESP Fit Center 1731 is at 5.236700 -4.318660 -0.063473 ESP Fit Center 1732 is at 5.646390 -4.359011 -0.063473 ESP Fit Center 1733 is at 6.056080 -4.318660 -0.063473 ESP Fit Center 1734 is at 6.450025 -4.199158 -0.063473 ESP Fit Center 1735 is at 6.813087 -4.005097 -0.063473 ESP Fit Center 1736 is at 5.958278 -4.294909 -0.473163 ESP Fit Center 1737 is at 6.361717 -4.190451 -0.473163 ESP Fit Center 1738 is at 6.735870 -4.006920 -0.473163 ESP Fit Center 1739 is at 6.555171 -3.973154 -0.867108 ESP Fit Center 1740 is at 6.638280 -3.696012 -1.230170 ESP Fit Center 1741 is at 6.895588 -1.456200 -1.548397 ESP Fit Center 1742 is at 6.895588 -3.061822 -1.548397 ESP Fit Center 1743 is at 6.813087 -2.259011 -1.809559 ESP Fit Center 1744 is at 6.734303 -1.837551 -1.809559 ESP Fit Center 1745 is at 6.508590 -1.473012 -1.809559 ESP Fit Center 1746 is at 6.734303 -2.680471 -1.809559 ESP Fit Center 1747 is at 6.342358 -1.857193 -2.003620 ESP Fit Center 1748 is at 6.048208 -1.563043 -2.003620 ESP Fit Center 1749 is at 7.584735 -0.207131 1.548415 ESP Fit Center 1750 is at 7.367327 -0.583693 1.548415 ESP Fit Center 1751 is at 7.989919 -0.207131 1.380582 ESP Fit Center 1752 is at 7.877380 0.212869 1.380582 ESP Fit Center 1753 is at 7.149919 -1.047131 1.380582 ESP Fit Center 1754 is at 7.569919 -0.934592 1.380582 ESP Fit Center 1755 is at 7.877380 -0.627131 1.380582 ESP Fit Center 1756 is at 8.337858 -0.207131 1.113599 ESP Fit Center 1757 is at 8.257639 0.222002 1.113599 ESP Fit Center 1758 is at 8.027816 0.593179 1.113599 ESP Fit Center 1759 is at 7.679429 -1.270531 1.113599 ESP Fit Center 1760 is at 8.027816 -1.007440 1.113599 ESP Fit Center 1761 is at 8.257639 -0.636264 1.113599 ESP Fit Center 1762 is at 8.604841 -0.207131 0.765660 ESP Fit Center 1763 is at 8.540203 0.221715 0.765660 ESP Fit Center 1764 is at 8.352032 0.612456 0.765660 ESP Fit Center 1765 is at 8.057048 0.930374 0.765660 ESP Fit Center 1766 is at 8.057048 -1.344635 0.765660 ESP Fit Center 1767 is at 8.352032 -1.026718 0.765660 ESP Fit Center 1768 is at 8.540203 -0.635977 0.765660 ESP Fit Center 1769 is at 8.772674 -0.207131 0.360476 ESP Fit Center 1770 is at 8.717380 0.212869 0.360476 ESP Fit Center 1771 is at 8.555266 0.604247 0.360476 ESP Fit Center 1772 is at 8.297380 0.940331 0.360476 ESP Fit Center 1773 is at 7.961296 1.198217 0.360476 ESP Fit Center 1774 is at 8.297380 -1.354592 0.360476 ESP Fit Center 1775 is at 8.555266 -1.018509 0.360476 ESP Fit Center 1776 is at 8.717380 -0.627131 0.360476 ESP Fit Center 1777 is at 8.829919 -0.207131 -0.074340 ESP Fit Center 1778 is at 8.777138 0.210668 -0.074340 ESP Fit Center 1779 is at 8.622114 0.602215 -0.074340 ESP Fit Center 1780 is at 8.374586 0.942908 -0.074340 ESP Fit Center 1781 is at 8.050108 1.211340 -0.074340 ESP Fit Center 1782 is at 8.374586 -1.357170 -0.074340 ESP Fit Center 1783 is at 8.622114 -1.016477 -0.074340 ESP Fit Center 1784 is at 8.777138 -0.624930 -0.074340 ESP Fit Center 1785 is at 8.772674 -0.207131 -0.509156 ESP Fit Center 1786 is at 8.717380 0.212869 -0.509156 ESP Fit Center 1787 is at 8.555266 0.604247 -0.509156 ESP Fit Center 1788 is at 8.297380 0.940331 -0.509156 ESP Fit Center 1789 is at 7.961296 1.198217 -0.509156 ESP Fit Center 1790 is at 8.297380 -1.354592 -0.509156 ESP Fit Center 1791 is at 8.555266 -1.018509 -0.509156 ESP Fit Center 1792 is at 8.717380 -0.627131 -0.509156 ESP Fit Center 1793 is at 8.604841 -0.207131 -0.914340 ESP Fit Center 1794 is at 8.540203 0.221715 -0.914340 ESP Fit Center 1795 is at 8.352032 0.612456 -0.914340 ESP Fit Center 1796 is at 8.057048 0.930374 -0.914340 ESP Fit Center 1797 is at 8.057048 -1.344635 -0.914340 ESP Fit Center 1798 is at 8.352032 -1.026718 -0.914340 ESP Fit Center 1799 is at 8.540203 -0.635977 -0.914340 ESP Fit Center 1800 is at 8.337858 -0.207131 -1.262280 ESP Fit Center 1801 is at 8.257639 0.222002 -1.262280 ESP Fit Center 1802 is at 8.027816 0.593179 -1.262280 ESP Fit Center 1803 is at 7.679429 -1.270531 -1.262280 ESP Fit Center 1804 is at 8.027816 -1.007440 -1.262280 ESP Fit Center 1805 is at 8.257639 -0.636264 -1.262280 ESP Fit Center 1806 is at 7.989919 -0.207131 -1.529263 ESP Fit Center 1807 is at 7.877380 0.212869 -1.529263 ESP Fit Center 1808 is at 7.149919 -1.047131 -1.529263 ESP Fit Center 1809 is at 7.569919 -0.934592 -1.529263 ESP Fit Center 1810 is at 7.877380 -0.627131 -1.529263 ESP Fit Center 1811 is at 7.584735 -0.207131 -1.697096 ESP Fit Center 1812 is at 7.367327 -0.583693 -1.697096 ESP Fit Center 1813 is at 5.953732 0.792181 2.515988 ESP Fit Center 1814 is at 6.388548 0.792181 2.458743 ESP Fit Center 1815 is at 6.171140 1.168743 2.458743 ESP Fit Center 1816 is at 5.736324 1.168743 2.458743 ESP Fit Center 1817 is at 5.518916 0.792181 2.458743 ESP Fit Center 1818 is at 5.736324 0.415619 2.458743 ESP Fit Center 1819 is at 6.171140 0.415619 2.458743 ESP Fit Center 1820 is at 6.793732 0.792181 2.290911 ESP Fit Center 1821 is at 6.681193 1.212181 2.290911 ESP Fit Center 1822 is at 6.373732 1.519642 2.290911 ESP Fit Center 1823 is at 5.953732 1.632181 2.290911 ESP Fit Center 1824 is at 5.533732 1.519642 2.290911 ESP Fit Center 1825 is at 5.226270 1.212181 2.290911 ESP Fit Center 1826 is at 5.113732 0.792181 2.290911 ESP Fit Center 1827 is at 5.226270 0.372181 2.290911 ESP Fit Center 1828 is at 5.533732 0.064720 2.290911 ESP Fit Center 1829 is at 5.953732 -0.047819 2.290911 ESP Fit Center 1830 is at 6.373732 0.064720 2.290911 ESP Fit Center 1831 is at 6.681193 0.372181 2.290911 ESP Fit Center 1832 is at 7.141671 0.792181 2.023927 ESP Fit Center 1833 is at 7.061452 1.221314 2.023927 ESP Fit Center 1834 is at 6.831629 1.592491 2.023927 ESP Fit Center 1835 is at 6.483242 1.855581 2.023927 ESP Fit Center 1836 is at 6.063341 1.975053 2.023927 ESP Fit Center 1837 is at 5.628637 1.934772 2.023927 ESP Fit Center 1838 is at 5.237838 1.740177 2.023927 ESP Fit Center 1839 is at 4.943725 1.417550 2.023927 ESP Fit Center 1840 is at 4.786019 1.010464 2.023927 ESP Fit Center 1841 is at 4.786019 0.573898 2.023927 ESP Fit Center 1842 is at 4.943725 0.166811 2.023927 ESP Fit Center 1843 is at 5.237838 -0.155815 2.023927 ESP Fit Center 1844 is at 5.628637 -0.350410 2.023927 ESP Fit Center 1845 is at 6.063341 -0.390691 2.023927 ESP Fit Center 1846 is at 6.483242 -0.271219 2.023927 ESP Fit Center 1847 is at 6.831629 -0.008129 2.023927 ESP Fit Center 1848 is at 7.061452 0.363048 2.023927 ESP Fit Center 1849 is at 7.408654 0.792181 1.675988 ESP Fit Center 1850 is at 7.344016 1.221027 1.675988 ESP Fit Center 1851 is at 7.155845 1.611768 1.675988 ESP Fit Center 1852 is at 6.860861 1.929685 1.675988 ESP Fit Center 1853 is at 6.485275 2.146530 1.675988 ESP Fit Center 1854 is at 6.062458 2.243035 1.675988 ESP Fit Center 1855 is at 5.629981 2.210626 1.675988 ESP Fit Center 1856 is at 5.226270 2.052181 1.675988 ESP Fit Center 1857 is at 4.887198 1.781780 1.675988 ESP Fit Center 1858 is at 4.642892 1.423448 1.675988 ESP Fit Center 1859 is at 7.344016 0.363335 1.675988 ESP Fit Center 1860 is at 7.521193 1.212181 1.270804 ESP Fit Center 1861 is at 7.359079 1.603559 1.270804 ESP Fit Center 1862 is at 7.101193 1.939642 1.270804 ESP Fit Center 1863 is at 6.765109 2.197528 1.270804 ESP Fit Center 1864 is at 6.373732 2.359642 1.270804 ESP Fit Center 1865 is at 5.953732 2.414936 1.270804 ESP Fit Center 1866 is at 5.533732 2.359642 1.270804 ESP Fit Center 1867 is at 5.142354 2.197528 1.270804 ESP Fit Center 1868 is at 4.806270 1.939642 1.270804 ESP Fit Center 1869 is at 7.425927 1.601527 0.835988 ESP Fit Center 1870 is at 7.178399 1.942220 0.835988 ESP Fit Center 1871 is at 6.853921 2.210652 0.835988 ESP Fit Center 1872 is at 6.472880 2.389956 0.835988 ESP Fit Center 1873 is at 6.059220 2.468866 0.835988 ESP Fit Center 1874 is at 5.638931 2.442424 0.835988 ESP Fit Center 1875 is at 5.238422 2.312290 0.835988 ESP Fit Center 1876 is at 4.882859 2.086643 0.835988 ESP Fit Center 1877 is at 6.765109 2.197528 0.401172 ESP Fit Center 1878 is at 6.373732 2.359642 0.401172 ESP Fit Center 1879 is at 5.953732 2.414936 0.401172 ESP Fit Center 1880 is at 5.533732 2.359642 0.401172 ESP Fit Center 1881 is at 5.142354 2.197528 0.401172 ESP Fit Center 1882 is at 5.608193 2.228363 -0.097896 ESP Fit Center 1883 is at 5.204482 2.069918 -0.097896 ESP Fit Center 1884 is at 6.743321 2.215266 -0.503080 ESP Fit Center 1885 is at 6.351943 2.377380 -0.503080 ESP Fit Center 1886 is at 5.931943 2.432674 -0.503080 ESP Fit Center 1887 is at 5.511943 2.377380 -0.503080 ESP Fit Center 1888 is at 5.120566 2.215266 -0.503080 ESP Fit Center 1889 is at 7.404138 1.619264 -0.937896 ESP Fit Center 1890 is at 7.156611 1.959957 -0.937896 ESP Fit Center 1891 is at 6.832132 2.228389 -0.937896 ESP Fit Center 1892 is at 6.451092 2.407693 -0.937896 ESP Fit Center 1893 is at 6.037431 2.486603 -0.937896 ESP Fit Center 1894 is at 5.617143 2.460161 -0.937896 ESP Fit Center 1895 is at 5.216634 2.330028 -0.937896 ESP Fit Center 1896 is at 4.861071 2.104381 -0.937896 ESP Fit Center 1897 is at 7.499405 1.229918 -1.372712 ESP Fit Center 1898 is at 7.337291 1.621296 -1.372712 ESP Fit Center 1899 is at 7.079405 1.957380 -1.372712 ESP Fit Center 1900 is at 6.743321 2.215266 -1.372712 ESP Fit Center 1901 is at 6.351943 2.377380 -1.372712 ESP Fit Center 1902 is at 5.931943 2.432674 -1.372712 ESP Fit Center 1903 is at 5.511943 2.377380 -1.372712 ESP Fit Center 1904 is at 5.120566 2.215266 -1.372712 ESP Fit Center 1905 is at 4.784482 1.957380 -1.372712 ESP Fit Center 1906 is at 7.386866 0.809918 -1.777896 ESP Fit Center 1907 is at 7.322228 1.238764 -1.777896 ESP Fit Center 1908 is at 7.134057 1.629505 -1.777896 ESP Fit Center 1909 is at 6.839073 1.947423 -1.777896 ESP Fit Center 1910 is at 6.463486 2.164268 -1.777896 ESP Fit Center 1911 is at 6.040670 2.260773 -1.777896 ESP Fit Center 1912 is at 5.608193 2.228363 -1.777896 ESP Fit Center 1913 is at 5.204482 2.069918 -1.777896 ESP Fit Center 1914 is at 4.865409 1.799517 -1.777896 ESP Fit Center 1915 is at 4.621103 1.441186 -1.777896 ESP Fit Center 1916 is at 4.493271 1.026763 -1.777896 ESP Fit Center 1917 is at 7.322228 0.381072 -1.777896 ESP Fit Center 1918 is at 7.119883 0.809918 -2.125835 ESP Fit Center 1919 is at 7.039664 1.239051 -2.125835 ESP Fit Center 1920 is at 6.809841 1.610228 -2.125835 ESP Fit Center 1921 is at 6.461453 1.873318 -2.125835 ESP Fit Center 1922 is at 6.041552 1.992790 -2.125835 ESP Fit Center 1923 is at 5.606848 1.952509 -2.125835 ESP Fit Center 1924 is at 5.216050 1.757914 -2.125835 ESP Fit Center 1925 is at 4.921937 1.435288 -2.125835 ESP Fit Center 1926 is at 4.764231 1.028202 -2.125835 ESP Fit Center 1927 is at 4.764231 0.591635 -2.125835 ESP Fit Center 1928 is at 4.921937 0.184549 -2.125835 ESP Fit Center 1929 is at 5.216050 -0.138078 -2.125835 ESP Fit Center 1930 is at 5.606848 -0.332672 -2.125835 ESP Fit Center 1931 is at 6.041552 -0.372954 -2.125835 ESP Fit Center 1932 is at 6.461453 -0.253481 -2.125835 ESP Fit Center 1933 is at 6.809841 0.009609 -2.125835 ESP Fit Center 1934 is at 7.039664 0.380785 -2.125835 ESP Fit Center 1935 is at 6.771943 0.809918 -2.392819 ESP Fit Center 1936 is at 6.659405 1.229918 -2.392819 ESP Fit Center 1937 is at 6.351943 1.537380 -2.392819 ESP Fit Center 1938 is at 5.931943 1.649918 -2.392819 ESP Fit Center 1939 is at 5.511943 1.537380 -2.392819 ESP Fit Center 1940 is at 5.204482 1.229918 -2.392819 ESP Fit Center 1941 is at 5.091943 0.809918 -2.392819 ESP Fit Center 1942 is at 5.204482 0.389918 -2.392819 ESP Fit Center 1943 is at 5.511943 0.082457 -2.392819 ESP Fit Center 1944 is at 5.931943 -0.030082 -2.392819 ESP Fit Center 1945 is at 6.351943 0.082457 -2.392819 ESP Fit Center 1946 is at 6.659405 0.389918 -2.392819 ESP Fit Center 1947 is at 6.366759 0.809918 -2.560651 ESP Fit Center 1948 is at 6.149351 1.186480 -2.560651 ESP Fit Center 1949 is at 5.714535 1.186480 -2.560651 ESP Fit Center 1950 is at 5.497127 0.809918 -2.560651 ESP Fit Center 1951 is at 5.714535 0.433357 -2.560651 ESP Fit Center 1952 is at 6.149351 0.433357 -2.560651 ESP Fit Center 1953 is at 5.931943 0.809918 -2.617896 ESP Fit Center 1954 is at 7.181010 -2.286462 1.574793 ESP Fit Center 1955 is at 6.963602 -1.909900 1.574793 ESP Fit Center 1956 is at 6.963602 -2.663023 1.574793 ESP Fit Center 1957 is at 7.586194 -2.286462 1.406960 ESP Fit Center 1958 is at 7.473655 -1.866462 1.406960 ESP Fit Center 1959 is at 7.166194 -1.559000 1.406960 ESP Fit Center 1960 is at 7.166194 -3.013923 1.406960 ESP Fit Center 1961 is at 7.473655 -2.706462 1.406960 ESP Fit Center 1962 is at 7.934133 -2.286462 1.139977 ESP Fit Center 1963 is at 7.853914 -1.857328 1.139977 ESP Fit Center 1964 is at 7.624092 -1.486152 1.139977 ESP Fit Center 1965 is at 7.275704 -3.349861 1.139977 ESP Fit Center 1966 is at 7.624092 -3.086771 1.139977 ESP Fit Center 1967 is at 7.853914 -2.715595 1.139977 ESP Fit Center 1968 is at 8.201117 -2.286462 0.792038 ESP Fit Center 1969 is at 8.136479 -1.857616 0.792038 ESP Fit Center 1970 is at 7.948308 -1.466875 0.792038 ESP Fit Center 1971 is at 7.277737 -3.640811 0.792038 ESP Fit Center 1972 is at 7.653323 -3.423966 0.792038 ESP Fit Center 1973 is at 7.948308 -3.106049 0.792038 ESP Fit Center 1974 is at 8.136479 -2.715308 0.792038 ESP Fit Center 1975 is at 8.368949 -2.286462 0.386854 ESP Fit Center 1976 is at 8.313655 -1.866462 0.386854 ESP Fit Center 1977 is at 8.151541 -1.475084 0.386854 ESP Fit Center 1978 is at 7.166194 -3.853923 0.386854 ESP Fit Center 1979 is at 7.557572 -3.691809 0.386854 ESP Fit Center 1980 is at 7.893655 -3.433923 0.386854 ESP Fit Center 1981 is at 8.151541 -3.097839 0.386854 ESP Fit Center 1982 is at 8.313655 -2.706462 0.386854 ESP Fit Center 1983 is at 8.426194 -2.286462 -0.047962 ESP Fit Center 1984 is at 8.373414 -1.868663 -0.047962 ESP Fit Center 1985 is at 7.265343 -3.884237 -0.047962 ESP Fit Center 1986 is at 7.646383 -3.704933 -0.047962 ESP Fit Center 1987 is at 7.970861 -3.436501 -0.047962 ESP Fit Center 1988 is at 8.218389 -3.095808 -0.047962 ESP Fit Center 1989 is at 8.373414 -2.704261 -0.047962 ESP Fit Center 1990 is at 8.368949 -2.286462 -0.482778 ESP Fit Center 1991 is at 8.313655 -1.866462 -0.482778 ESP Fit Center 1992 is at 7.166194 -3.853923 -0.482778 ESP Fit Center 1993 is at 7.557572 -3.691809 -0.482778 ESP Fit Center 1994 is at 7.893655 -3.433923 -0.482778 ESP Fit Center 1995 is at 8.151541 -3.097839 -0.482778 ESP Fit Center 1996 is at 8.313655 -2.706462 -0.482778 ESP Fit Center 1997 is at 8.201117 -2.286462 -0.887962 ESP Fit Center 1998 is at 8.136479 -1.857616 -0.887962 ESP Fit Center 1999 is at 7.948308 -1.466875 -0.887962 ESP Fit Center 2000 is at 7.277737 -3.640811 -0.887962 ESP Fit Center 2001 is at 7.653323 -3.423966 -0.887962 ESP Fit Center 2002 is at 7.948308 -3.106049 -0.887962 ESP Fit Center 2003 is at 8.136479 -2.715308 -0.887962 ESP Fit Center 2004 is at 7.934133 -2.286462 -1.235902 ESP Fit Center 2005 is at 7.853914 -1.857328 -1.235902 ESP Fit Center 2006 is at 7.624092 -1.486152 -1.235902 ESP Fit Center 2007 is at 7.275704 -3.349861 -1.235902 ESP Fit Center 2008 is at 7.624092 -3.086771 -1.235902 ESP Fit Center 2009 is at 7.853914 -2.715595 -1.235902 ESP Fit Center 2010 is at 7.586194 -2.286462 -1.502885 ESP Fit Center 2011 is at 7.473655 -1.866462 -1.502885 ESP Fit Center 2012 is at 7.166194 -1.559000 -1.502885 ESP Fit Center 2013 is at 7.166194 -3.013923 -1.502885 ESP Fit Center 2014 is at 7.473655 -2.706462 -1.502885 ESP Fit Center 2015 is at 7.181010 -2.286462 -1.670718 ESP Fit Center 2016 is at 6.963602 -1.909900 -1.670718 ESP Fit Center 2017 is at 6.963602 -2.663023 -1.670718 ESP Fit Center 2018 is at 3.697537 -3.183908 -0.526691 ESP Fit Center 2019 is at 3.859651 -3.575285 -0.526691 ESP Fit Center 2020 is at 4.117537 -3.911369 -0.526691 ESP Fit Center 2021 is at 4.453620 -4.169255 -0.526691 ESP Fit Center 2022 is at 4.844998 -4.331369 -0.526691 ESP Fit Center 2023 is at 5.264998 -4.386663 -0.526691 ESP Fit Center 2024 is at 5.684998 -4.331369 -0.526691 ESP Fit Center 2025 is at 3.598245 -2.974468 -0.961507 ESP Fit Center 2026 is at 3.702973 -3.382357 -0.961507 ESP Fit Center 2027 is at 3.905849 -3.751387 -0.961507 ESP Fit Center 2028 is at 4.194126 -4.058370 -0.961507 ESP Fit Center 2029 is at 4.549689 -4.284017 -0.961507 ESP Fit Center 2030 is at 4.950197 -4.414150 -0.961507 ESP Fit Center 2031 is at 5.370486 -4.440593 -0.961507 ESP Fit Center 2032 is at 5.784146 -4.361683 -0.961507 ESP Fit Center 2033 is at 6.165187 -4.182379 -0.961507 ESP Fit Center 2034 is at 3.697537 -2.343908 -1.396323 ESP Fit Center 2035 is at 3.642243 -2.763908 -1.396323 ESP Fit Center 2036 is at 3.697537 -3.183908 -1.396323 ESP Fit Center 2037 is at 3.859651 -3.575285 -1.396323 ESP Fit Center 2038 is at 4.117537 -3.911369 -1.396323 ESP Fit Center 2039 is at 4.453620 -4.169255 -1.396323 ESP Fit Center 2040 is at 4.844998 -4.331369 -1.396323 ESP Fit Center 2041 is at 5.264998 -4.386663 -1.396323 ESP Fit Center 2042 is at 5.684998 -4.331369 -1.396323 ESP Fit Center 2043 is at 6.076376 -4.169255 -1.396323 ESP Fit Center 2044 is at 6.412459 -3.911369 -1.396323 ESP Fit Center 2045 is at 6.670345 -3.575285 -1.396323 ESP Fit Center 2046 is at 6.719921 -2.763908 -1.801507 ESP Fit Center 2047 is at 4.198464 -1.774309 -1.801507 ESP Fit Center 2048 is at 3.954158 -2.132640 -1.801507 ESP Fit Center 2049 is at 3.826325 -2.547063 -1.801507 ESP Fit Center 2050 is at 3.826325 -2.980753 -1.801507 ESP Fit Center 2051 is at 3.954158 -3.395175 -1.801507 ESP Fit Center 2052 is at 4.198464 -3.753506 -1.801507 ESP Fit Center 2053 is at 4.537537 -4.023908 -1.801507 ESP Fit Center 2054 is at 4.941247 -4.182352 -1.801507 ESP Fit Center 2055 is at 5.373724 -4.214762 -1.801507 ESP Fit Center 2056 is at 5.796541 -4.118257 -1.801507 ESP Fit Center 2057 is at 6.172127 -3.901412 -1.801507 ESP Fit Center 2058 is at 6.467111 -3.583495 -1.801507 ESP Fit Center 2059 is at 6.655282 -3.192754 -1.801507 ESP Fit Center 2060 is at 6.452937 -2.763908 -2.149447 ESP Fit Center 2061 is at 6.372718 -2.334775 -2.149447 ESP Fit Center 2062 is at 6.142896 -1.963598 -2.149447 ESP Fit Center 2063 is at 5.794508 -1.700508 -2.149447 ESP Fit Center 2064 is at 5.374607 -1.581036 -2.149447 ESP Fit Center 2065 is at 4.939903 -1.621317 -2.149447 ESP Fit Center 2066 is at 4.549104 -1.815912 -2.149447 ESP Fit Center 2067 is at 4.254991 -2.138538 -2.149447 ESP Fit Center 2068 is at 4.097285 -2.545624 -2.149447 ESP Fit Center 2069 is at 4.097285 -2.982191 -2.149447 ESP Fit Center 2070 is at 4.254991 -3.389277 -2.149447 ESP Fit Center 2071 is at 4.549104 -3.711904 -2.149447 ESP Fit Center 2072 is at 4.939903 -3.906498 -2.149447 ESP Fit Center 2073 is at 5.374607 -3.946780 -2.149447 ESP Fit Center 2074 is at 5.794508 -3.827307 -2.149447 ESP Fit Center 2075 is at 6.142896 -3.564217 -2.149447 ESP Fit Center 2076 is at 6.372718 -3.193041 -2.149447 ESP Fit Center 2077 is at 6.104998 -2.763908 -2.416430 ESP Fit Center 2078 is at 5.992459 -2.343908 -2.416430 ESP Fit Center 2079 is at 5.684998 -2.036446 -2.416430 ESP Fit Center 2080 is at 5.264998 -1.923908 -2.416430 ESP Fit Center 2081 is at 4.844998 -2.036446 -2.416430 ESP Fit Center 2082 is at 4.537537 -2.343908 -2.416430 ESP Fit Center 2083 is at 4.424998 -2.763908 -2.416430 ESP Fit Center 2084 is at 4.537537 -3.183908 -2.416430 ESP Fit Center 2085 is at 4.844998 -3.491369 -2.416430 ESP Fit Center 2086 is at 5.264998 -3.603908 -2.416430 ESP Fit Center 2087 is at 5.684998 -3.491369 -2.416430 ESP Fit Center 2088 is at 5.992459 -3.183908 -2.416430 ESP Fit Center 2089 is at 5.699814 -2.763908 -2.584262 ESP Fit Center 2090 is at 5.482406 -2.387346 -2.584262 ESP Fit Center 2091 is at 5.047590 -2.387346 -2.584262 ESP Fit Center 2092 is at 4.830182 -2.763908 -2.584262 ESP Fit Center 2093 is at 5.047590 -3.140469 -2.584262 ESP Fit Center 2094 is at 5.482406 -3.140469 -2.584262 ESP Fit Center 2095 is at 5.264998 -2.763908 -2.641507 ESP Fit Center 2096 is at 5.236748 -2.782701 2.492136 ESP Fit Center 2097 is at 5.671564 -2.782701 2.434891 ESP Fit Center 2098 is at 5.454156 -2.406140 2.434891 ESP Fit Center 2099 is at 5.019340 -2.406140 2.434891 ESP Fit Center 2100 is at 4.801932 -2.782701 2.434891 ESP Fit Center 2101 is at 5.019340 -3.159263 2.434891 ESP Fit Center 2102 is at 5.454156 -3.159263 2.434891 ESP Fit Center 2103 is at 6.076748 -2.782701 2.267059 ESP Fit Center 2104 is at 5.964209 -2.362701 2.267059 ESP Fit Center 2105 is at 5.656748 -2.055240 2.267059 ESP Fit Center 2106 is at 5.236748 -1.942701 2.267059 ESP Fit Center 2107 is at 4.816748 -2.055240 2.267059 ESP Fit Center 2108 is at 4.509287 -2.362701 2.267059 ESP Fit Center 2109 is at 4.396748 -2.782701 2.267059 ESP Fit Center 2110 is at 4.509287 -3.202701 2.267059 ESP Fit Center 2111 is at 4.816748 -3.510163 2.267059 ESP Fit Center 2112 is at 5.236748 -3.622701 2.267059 ESP Fit Center 2113 is at 5.656748 -3.510163 2.267059 ESP Fit Center 2114 is at 5.964209 -3.202701 2.267059 ESP Fit Center 2115 is at 6.424687 -2.782701 2.000075 ESP Fit Center 2116 is at 6.344469 -2.353568 2.000075 ESP Fit Center 2117 is at 6.114646 -1.982392 2.000075 ESP Fit Center 2118 is at 5.766258 -1.719302 2.000075 ESP Fit Center 2119 is at 5.346357 -1.599830 2.000075 ESP Fit Center 2120 is at 4.911653 -1.640111 2.000075 ESP Fit Center 2121 is at 4.520855 -1.834705 2.000075 ESP Fit Center 2122 is at 4.226742 -2.157332 2.000075 ESP Fit Center 2123 is at 4.069036 -2.564418 2.000075 ESP Fit Center 2124 is at 4.069036 -3.000985 2.000075 ESP Fit Center 2125 is at 4.226742 -3.408071 2.000075 ESP Fit Center 2126 is at 4.520855 -3.730698 2.000075 ESP Fit Center 2127 is at 4.911653 -3.925292 2.000075 ESP Fit Center 2128 is at 5.346357 -3.965573 2.000075 ESP Fit Center 2129 is at 5.766258 -3.846101 2.000075 ESP Fit Center 2130 is at 6.114646 -3.583011 2.000075 ESP Fit Center 2131 is at 6.344469 -3.211835 2.000075 ESP Fit Center 2132 is at 3.925908 -2.151434 1.652136 ESP Fit Center 2133 is at 3.798076 -2.565857 1.652136 ESP Fit Center 2134 is at 3.798076 -2.999546 1.652136 ESP Fit Center 2135 is at 3.925908 -3.413969 1.652136 ESP Fit Center 2136 is at 4.170214 -3.772300 1.652136 ESP Fit Center 2137 is at 4.509287 -4.042701 1.652136 ESP Fit Center 2138 is at 4.912997 -4.201146 1.652136 ESP Fit Center 2139 is at 5.345475 -4.233556 1.652136 ESP Fit Center 2140 is at 5.768291 -4.137051 1.652136 ESP Fit Center 2141 is at 6.143877 -3.920206 1.652136 ESP Fit Center 2142 is at 6.438862 -3.602289 1.652136 ESP Fit Center 2143 is at 6.627033 -3.211547 1.652136 ESP Fit Center 2144 is at 3.669287 -2.362701 1.246952 ESP Fit Center 2145 is at 3.613993 -2.782701 1.246952 ESP Fit Center 2146 is at 3.669287 -3.202701 1.246952 ESP Fit Center 2147 is at 3.831401 -3.594079 1.246952 ESP Fit Center 2148 is at 4.089287 -3.930163 1.246952 ESP Fit Center 2149 is at 4.425370 -4.188049 1.246952 ESP Fit Center 2150 is at 4.816748 -4.350163 1.246952 ESP Fit Center 2151 is at 5.236748 -4.405457 1.246952 ESP Fit Center 2152 is at 5.656748 -4.350163 1.246952 ESP Fit Center 2153 is at 6.048126 -4.188049 1.246952 ESP Fit Center 2154 is at 6.384209 -3.930163 1.246952 ESP Fit Center 2155 is at 6.642095 -3.594079 1.246952 ESP Fit Center 2156 is at 3.569995 -2.993261 0.812136 ESP Fit Center 2157 is at 3.674724 -3.401151 0.812136 ESP Fit Center 2158 is at 3.877599 -3.770181 0.812136 ESP Fit Center 2159 is at 4.165876 -4.077164 0.812136 ESP Fit Center 2160 is at 4.521439 -4.302811 0.812136 ESP Fit Center 2161 is at 4.921947 -4.432944 0.812136 ESP Fit Center 2162 is at 5.342236 -4.459386 0.812136 ESP Fit Center 2163 is at 5.755897 -4.380476 0.812136 ESP Fit Center 2164 is at 6.136937 -4.201172 0.812136 ESP Fit Center 2165 is at 3.669287 -3.202701 0.377320 ESP Fit Center 2166 is at 3.831401 -3.594079 0.377320 ESP Fit Center 2167 is at 4.089287 -3.930163 0.377320 ESP Fit Center 2168 is at 4.425370 -4.188049 0.377320 ESP Fit Center 2169 is at 4.816748 -4.350163 0.377320 ESP Fit Center 2170 is at 5.236748 -4.405457 0.377320 ESP Fit Center 2171 is at 5.656748 -4.350163 0.377320 ESP Fit Center 2172 is at 4.170214 -3.772300 -0.027864 ESP Fit Center 2173 is at 4.509287 -4.042701 -0.027864 ESP Fit Center 2174 is at -0.351284 -1.146396 -2.227496 ESP Fit Center 2175 is at -0.559662 -1.507317 -2.404297 ESP Fit Center 2176 is at -0.860113 -1.206865 -2.404297 ESP Fit Center 2177 is at -1.270538 -1.096893 -2.404297 ESP Fit Center 2178 is at -0.853782 -1.917741 -2.512574 ESP Fit Center 2179 is at -1.062160 -1.556820 -2.512574 ESP Fit Center 2180 is at -1.368305 -2.472423 3.678882 ESP Fit Center 2181 is at -1.576683 -2.111502 3.642420 ESP Fit Center 2182 is at -1.785061 -2.472423 3.642420 ESP Fit Center 2183 is at -1.576683 -2.833344 3.642420 ESP Fit Center 2184 is at -1.159928 -2.833344 3.642420 ESP Fit Center 2185 is at -1.368305 -1.651575 3.534144 ESP Fit Center 2186 is at -2.079181 -2.882847 3.534144 ESP Fit Center 2187 is at -1.778729 -3.183299 3.534144 ESP Fit Center 2188 is at -1.368305 -3.293272 3.534144 ESP Fit Center 2189 is at -0.957881 -3.183299 3.534144 ESP Fit Center 2190 is at -1.576683 -1.290654 3.357343 ESP Fit Center 2191 is at -2.287559 -3.243768 3.357343 ESP Fit Center 2192 is at -1.968305 -3.511654 3.357343 ESP Fit Center 2193 is at -1.576683 -3.654193 3.357343 ESP Fit Center 2194 is at -1.159928 -3.654193 3.357343 ESP Fit Center 2195 is at -0.768305 -3.511654 3.357343 ESP Fit Center 2196 is at -1.473582 -0.933329 3.117388 ESP Fit Center 2197 is at -2.564988 -3.445996 3.117388 ESP Fit Center 2198 is at -2.257944 -3.732755 3.117388 ESP Fit Center 2199 is at -1.884921 -3.926040 3.117388 ESP Fit Center 2200 is at -1.473582 -4.011517 3.117388 ESP Fit Center 2201 is at -1.054436 -3.982847 3.117388 ESP Fit Center 2202 is at -0.658567 -3.842155 3.117388 ESP Fit Center 2203 is at -0.315337 -3.599877 3.117388 ESP Fit Center 2204 is at -1.475205 -0.637027 2.821572 ESP Fit Center 2205 is at -2.629965 -3.809705 2.821572 ESP Fit Center 2206 is at -0.270425 -3.947132 2.821572 ESP Fit Center 2207 is at -1.473578 -0.396630 2.478882 ESP Fit Center 2208 is at -2.945354 -3.826276 2.478882 ESP Fit Center 2209 is at 0.063686 -3.978877 2.478882 ESP Fit Center 2210 is at -3.141061 -3.866534 2.099730 ESP Fit Center 2211 is at -3.280448 -3.861676 1.695637 ESP Fit Center 2212 is at 0.660672 -3.684680 1.695637 ESP Fit Center 2213 is at -3.446766 -3.672423 1.278882 ESP Fit Center 2214 is at 0.710156 -3.672423 1.278882 ESP Fit Center 2215 is at -3.280448 -3.861676 0.862126 ESP Fit Center 2216 is at 0.660672 -3.684680 0.862126 ESP Fit Center 2217 is at 0.844522 -3.302911 0.862126 ESP Fit Center 2218 is at 0.957250 -2.894449 0.862126 ESP Fit Center 2219 is at 0.528942 -3.691710 0.458033 ESP Fit Center 2220 is at -3.895627 -3.355380 -2.239174 ESP Fit Center 2221 is at -0.804722 -3.175355 -2.239174 ESP Fit Center 2222 is at -0.893065 -2.373100 -2.544652 ESP Fit Center 2223 is at -0.954193 -1.947944 -2.544652 ESP Fit Center 2224 is at -1.132626 -1.557231 -2.544652 ESP Fit Center 2225 is at -1.413907 -1.232615 -2.544652 ESP Fit Center 2226 is at -3.671661 -3.188969 -2.544652 ESP Fit Center 2227 is at -1.132626 -3.188969 -2.544652 ESP Fit Center 2228 is at -0.954193 -2.798256 -2.544652 ESP Fit Center 2229 is at -1.222935 -2.373100 -2.793759 ESP Fit Center 2230 is at -1.302564 -1.947121 -2.793759 ESP Fit Center 2231 is at -1.530698 -1.578673 -2.793759 ESP Fit Center 2232 is at -1.876525 -1.317516 -2.793759 ESP Fit Center 2233 is at -3.561273 -2.589779 -2.793759 ESP Fit Center 2234 is at -3.404726 -2.993873 -2.793759 ESP Fit Center 2235 is at -3.112775 -3.314128 -2.793759 ESP Fit Center 2236 is at -1.876525 -3.428684 -2.793759 ESP Fit Center 2237 is at -1.530698 -3.167527 -2.793759 ESP Fit Center 2238 is at -1.302564 -2.799079 -2.793759 ESP Fit Center 2239 is at -1.592962 -2.373100 -2.978010 ESP Fit Center 2240 is at -1.701372 -1.968509 -2.978010 ESP Fit Center 2241 is at -1.997552 -1.672328 -2.978010 ESP Fit Center 2242 is at -2.402143 -1.563919 -2.978010 ESP Fit Center 2243 is at -3.211324 -2.373100 -2.978010 ESP Fit Center 2244 is at -3.102915 -2.777691 -2.978010 ESP Fit Center 2245 is at -2.806734 -3.073872 -2.978010 ESP Fit Center 2246 is at -2.402143 -3.182281 -2.978010 ESP Fit Center 2247 is at -1.997552 -3.073872 -2.978010 ESP Fit Center 2248 is at -1.701372 -2.777691 -2.978010 ESP Fit Center 2249 is at -1.990544 -2.373100 -3.091132 ESP Fit Center 2250 is at -2.196344 -2.016645 -3.091132 ESP Fit Center 2251 is at -2.607943 -2.016645 -3.091132 ESP Fit Center 2252 is at -2.813742 -2.373100 -3.091132 ESP Fit Center 2253 is at -2.607943 -2.729555 -3.091132 ESP Fit Center 2254 is at -2.196344 -2.729555 -3.091132 ESP Fit Center 2255 is at -2.402143 -2.373100 -3.129272 ESP Fit Center 2256 is at 3.419922 0.570148 2.372745 ESP Fit Center 2257 is at 3.836677 0.570148 2.336283 ESP Fit Center 2258 is at 3.628299 0.931069 2.336283 ESP Fit Center 2259 is at 3.211544 0.931069 2.336283 ESP Fit Center 2260 is at 3.003166 0.570148 2.336283 ESP Fit Center 2261 is at 3.211544 0.209227 2.336283 ESP Fit Center 2262 is at 3.628299 0.209227 2.336283 ESP Fit Center 2263 is at 4.240770 0.570148 2.228007 ESP Fit Center 2264 is at 4.130797 0.980572 2.228007 ESP Fit Center 2265 is at 3.830346 1.281023 2.228007 ESP Fit Center 2266 is at 3.419922 1.390996 2.228007 ESP Fit Center 2267 is at 3.009497 1.281023 2.228007 ESP Fit Center 2268 is at 2.709046 0.159724 2.228007 ESP Fit Center 2269 is at 3.009497 -0.140728 2.228007 ESP Fit Center 2270 is at 4.130797 0.159724 2.228007 ESP Fit Center 2271 is at 4.339175 1.341493 2.051206 ESP Fit Center 2272 is at 4.019922 1.609378 2.051206 ESP Fit Center 2273 is at 3.628299 1.751917 2.051206 ESP Fit Center 2274 is at 3.211544 1.751917 2.051206 ESP Fit Center 2275 is at 4.472890 1.697601 1.811251 ESP Fit Center 2276 is at 4.129659 1.939880 1.811251 ESP Fit Center 2277 is at 3.733791 2.080571 1.811251 ESP Fit Center 2278 is at 3.314645 2.109242 1.811251 ESP Fit Center 2279 is at 4.517802 2.044857 1.515435 ESP Fit Center 2280 is at 4.148117 2.258294 1.515435 ESP Fit Center 2281 is at 3.739175 2.380723 1.515435 ESP Fit Center 2282 is at 4.519353 2.334022 1.172745 ESP Fit Center 2283 is at 4.141782 2.519229 1.172745 ESP Fit Center 2284 is at 4.728102 2.407230 0.793593 ESP Fit Center 2285 is at 4.356791 2.621607 0.793593 ESP Fit Center 2286 is at 4.893564 2.418037 0.389500 ESP Fit Center 2287 is at 4.539929 2.651469 0.389500 ESP Fit Center 2288 is at 4.962612 2.408654 -0.027255 ESP Fit Center 2289 is at 4.619922 2.648609 -0.027255 ESP Fit Center 2290 is at 4.893564 2.418037 -0.444011 ESP Fit Center 2291 is at 4.539929 2.651469 -0.444011 ESP Fit Center 2292 is at 4.728102 2.407230 -0.848104 ESP Fit Center 2293 is at 4.356791 2.621607 -0.848104 ESP Fit Center 2294 is at 4.519353 2.334022 -1.227255 ESP Fit Center 2295 is at 4.141782 2.519229 -1.227255 ESP Fit Center 2296 is at 3.734658 2.624641 -1.227255 ESP Fit Center 2297 is at 4.517802 2.044857 -1.569946 ESP Fit Center 2298 is at 4.148117 2.258294 -1.569946 ESP Fit Center 2299 is at 3.739175 2.380723 -1.569946 ESP Fit Center 2300 is at 4.472890 1.697601 -1.865762 ESP Fit Center 2301 is at 4.129659 1.939880 -1.865762 ESP Fit Center 2302 is at 3.733791 2.080571 -1.865762 ESP Fit Center 2303 is at 3.314645 2.109242 -1.865762 ESP Fit Center 2304 is at 4.339175 1.341493 -2.105716 ESP Fit Center 2305 is at 4.019922 1.609378 -2.105716 ESP Fit Center 2306 is at 3.628299 1.751917 -2.105716 ESP Fit Center 2307 is at 3.211544 1.751917 -2.105716 ESP Fit Center 2308 is at 4.240770 0.570148 -2.282518 ESP Fit Center 2309 is at 4.130797 0.980572 -2.282518 ESP Fit Center 2310 is at 3.830346 1.281023 -2.282518 ESP Fit Center 2311 is at 3.419922 1.390996 -2.282518 ESP Fit Center 2312 is at 3.009497 1.281023 -2.282518 ESP Fit Center 2313 is at 2.709046 0.159724 -2.282518 ESP Fit Center 2314 is at 3.009497 -0.140728 -2.282518 ESP Fit Center 2315 is at 3.836677 0.570148 -2.390794 ESP Fit Center 2316 is at 3.628299 0.931069 -2.390794 ESP Fit Center 2317 is at 3.211544 0.931069 -2.390794 ESP Fit Center 2318 is at 3.003166 0.570148 -2.390794 ESP Fit Center 2319 is at 3.211544 0.209227 -2.390794 ESP Fit Center 2320 is at 3.628299 0.209227 -2.390794 ESP Fit Center 2321 is at 3.419922 0.570148 -2.427255 ESP Fit Center 2322 is at 0.015591 3.784788 2.360633 ESP Fit Center 2323 is at 0.427190 3.784788 2.322493 ESP Fit Center 2324 is at 0.221391 4.141243 2.322493 ESP Fit Center 2325 is at -0.190208 4.141243 2.322493 ESP Fit Center 2326 is at -0.396008 3.784788 2.322493 ESP Fit Center 2327 is at -0.190208 3.428333 2.322493 ESP Fit Center 2328 is at 0.221391 3.428333 2.322493 ESP Fit Center 2329 is at 0.824773 3.784788 2.209371 ESP Fit Center 2330 is at 0.716363 4.189378 2.209371 ESP Fit Center 2331 is at 0.420182 4.485559 2.209371 ESP Fit Center 2332 is at 0.015591 4.593969 2.209371 ESP Fit Center 2333 is at -0.388999 4.485559 2.209371 ESP Fit Center 2334 is at -0.685180 4.189378 2.209371 ESP Fit Center 2335 is at -0.793590 3.784788 2.209371 ESP Fit Center 2336 is at -0.685180 3.380197 2.209371 ESP Fit Center 2337 is at 1.194799 3.784788 2.025120 ESP Fit Center 2338 is at 1.115170 4.210767 2.025120 ESP Fit Center 2339 is at 0.887037 4.579215 2.025120 ESP Fit Center 2340 is at 0.541209 4.840371 2.025120 ESP Fit Center 2341 is at 0.124395 4.958965 2.025120 ESP Fit Center 2342 is at -0.307114 4.918980 2.025120 ESP Fit Center 2343 is at -0.695040 4.725816 2.025120 ESP Fit Center 2344 is at -0.986992 4.405561 2.025120 ESP Fit Center 2345 is at -1.143539 4.001467 2.025120 ESP Fit Center 2346 is at -1.143539 3.568109 2.025120 ESP Fit Center 2347 is at -0.986992 3.164015 2.025120 ESP Fit Center 2348 is at 1.463541 4.209944 1.776013 ESP Fit Center 2349 is at 1.285109 4.600657 1.776013 ESP Fit Center 2350 is at 1.003827 4.925273 1.776013 ESP Fit Center 2351 is at 0.642485 5.157494 1.776013 ESP Fit Center 2352 is at 0.230355 5.278506 1.776013 ESP Fit Center 2353 is at -0.199173 5.278506 1.776013 ESP Fit Center 2354 is at -0.611303 5.157494 1.776013 ESP Fit Center 2355 is at -0.972645 4.925273 1.776013 ESP Fit Center 2356 is at -1.253926 4.600657 1.776013 ESP Fit Center 2357 is at -1.432359 4.209944 1.776013 ESP Fit Center 2358 is at -1.493487 3.784788 1.776013 ESP Fit Center 2359 is at -1.432359 3.359631 1.776013 ESP Fit Center 2360 is at 1.613012 4.587042 1.470535 ESP Fit Center 2361 is at 1.384941 4.933808 1.470535 ESP Fit Center 2362 is at 1.083047 5.218630 1.470535 ESP Fit Center 2363 is at 0.723607 5.426153 1.470535 ESP Fit Center 2364 is at 0.325998 5.545189 1.470535 ESP Fit Center 2365 is at -0.088346 5.569322 1.470535 ESP Fit Center 2366 is at -0.497086 5.497250 1.470535 ESP Fit Center 2367 is at -0.878188 5.332859 1.470535 ESP Fit Center 2368 is at -1.211106 5.085011 1.470535 ESP Fit Center 2369 is at -1.477892 4.767067 1.470535 ESP Fit Center 2370 is at -1.664164 4.396169 1.470535 ESP Fit Center 2371 is at -1.759881 3.992311 1.470535 ESP Fit Center 2372 is at -1.759881 3.577265 1.470535 ESP Fit Center 2373 is at 1.847401 4.600362 1.119087 ESP Fit Center 2374 is at 1.637804 4.963395 1.119087 ESP Fit Center 2375 is at 1.357309 5.274916 1.119087 ESP Fit Center 2376 is at 1.018174 5.521312 1.119087 ESP Fit Center 2377 is at 0.635222 5.691814 1.119087 ESP Fit Center 2378 is at 0.225188 5.778969 1.119087 ESP Fit Center 2379 is at -0.194006 5.778969 1.119087 ESP Fit Center 2380 is at -0.604039 5.691814 1.119087 ESP Fit Center 2381 is at -0.986992 5.521312 1.119087 ESP Fit Center 2382 is at -1.326127 5.274916 1.119087 ESP Fit Center 2383 is at -1.606622 4.963395 1.119087 ESP Fit Center 2384 is at -1.816219 4.600362 1.119087 ESP Fit Center 2385 is at -1.945757 4.201685 1.119087 ESP Fit Center 2386 is at -1.989575 3.784788 1.119087 ESP Fit Center 2387 is at 1.806984 4.981758 0.733638 ESP Fit Center 2388 is at 1.539045 5.308242 0.733638 ESP Fit Center 2389 is at 1.212561 5.576180 0.733638 ESP Fit Center 2390 is at 0.840079 5.775276 0.733638 ESP Fit Center 2391 is at 0.435911 5.897879 0.733638 ESP Fit Center 2392 is at 0.015591 5.939277 0.733638 ESP Fit Center 2393 is at -0.404729 5.897879 0.733638 ESP Fit Center 2394 is at -0.808896 5.775276 0.733638 ESP Fit Center 2395 is at -1.181379 5.576180 0.733638 ESP Fit Center 2396 is at -1.507863 5.308242 0.733638 ESP Fit Center 2397 is at -1.775801 4.981758 0.733638 ESP Fit Center 2398 is at -1.974897 4.609275 0.733638 ESP Fit Center 2399 is at -2.097500 4.205108 0.733638 ESP Fit Center 2400 is at 1.891961 4.990657 0.327314 ESP Fit Center 2401 is at 1.629840 5.323971 0.327314 ESP Fit Center 2402 is at 1.309376 5.601654 0.327314 ESP Fit Center 2403 is at 0.942151 5.813671 0.327314 ESP Fit Center 2404 is at 0.541438 5.952359 0.327314 ESP Fit Center 2405 is at 0.121720 6.012706 0.327314 ESP Fit Center 2406 is at -0.301834 5.992530 0.327314 ESP Fit Center 2407 is at -0.713916 5.892560 0.327314 ESP Fit Center 2408 is at -1.099631 5.716409 0.327314 ESP Fit Center 2409 is at -1.445039 5.470445 0.327314 ESP Fit Center 2410 is at -1.737657 5.163557 0.327314 ESP Fit Center 2411 is at -1.966907 4.806837 0.327314 ESP Fit Center 2412 is at -2.124505 4.413177 0.327314 ESP Fit Center 2413 is at -2.204754 3.996805 0.327314 ESP Fit Center 2414 is at 1.891961 4.990657 -0.086048 ESP Fit Center 2415 is at 1.629840 5.323971 -0.086048 ESP Fit Center 2416 is at 1.309376 5.601654 -0.086048 ESP Fit Center 2417 is at 0.942151 5.813671 -0.086048 ESP Fit Center 2418 is at 0.541438 5.952359 -0.086048 ESP Fit Center 2419 is at 0.121720 6.012706 -0.086048 ESP Fit Center 2420 is at -0.301834 5.992530 -0.086048 ESP Fit Center 2421 is at -0.713916 5.892560 -0.086048 ESP Fit Center 2422 is at -1.099631 5.716409 -0.086048 ESP Fit Center 2423 is at -1.445039 5.470445 -0.086048 ESP Fit Center 2424 is at -1.737657 5.163557 -0.086048 ESP Fit Center 2425 is at -1.966907 4.806837 -0.086048 ESP Fit Center 2426 is at -2.124505 4.413177 -0.086048 ESP Fit Center 2427 is at -2.204754 3.996805 -0.086048 ESP Fit Center 2428 is at 1.806984 4.981758 -0.492372 ESP Fit Center 2429 is at 1.539045 5.308242 -0.492372 ESP Fit Center 2430 is at 1.212561 5.576180 -0.492372 ESP Fit Center 2431 is at 0.840079 5.775276 -0.492372 ESP Fit Center 2432 is at 0.435911 5.897879 -0.492372 ESP Fit Center 2433 is at 0.015591 5.939277 -0.492372 ESP Fit Center 2434 is at -0.404729 5.897879 -0.492372 ESP Fit Center 2435 is at -0.808896 5.775276 -0.492372 ESP Fit Center 2436 is at -1.181379 5.576180 -0.492372 ESP Fit Center 2437 is at -1.507863 5.308242 -0.492372 ESP Fit Center 2438 is at -1.775801 4.981758 -0.492372 ESP Fit Center 2439 is at -1.974897 4.609275 -0.492372 ESP Fit Center 2440 is at -2.097500 4.205108 -0.492372 ESP Fit Center 2441 is at 1.847401 4.600362 -0.877821 ESP Fit Center 2442 is at 1.637804 4.963395 -0.877821 ESP Fit Center 2443 is at 1.357309 5.274916 -0.877821 ESP Fit Center 2444 is at 1.018174 5.521312 -0.877821 ESP Fit Center 2445 is at 0.635222 5.691814 -0.877821 ESP Fit Center 2446 is at 0.225188 5.778969 -0.877821 ESP Fit Center 2447 is at -0.194006 5.778969 -0.877821 ESP Fit Center 2448 is at -0.604039 5.691814 -0.877821 ESP Fit Center 2449 is at -0.986992 5.521312 -0.877821 ESP Fit Center 2450 is at -1.326127 5.274916 -0.877821 ESP Fit Center 2451 is at -1.606622 4.963395 -0.877821 ESP Fit Center 2452 is at -1.816219 4.600362 -0.877821 ESP Fit Center 2453 is at -1.945757 4.201685 -0.877821 ESP Fit Center 2454 is at 1.613012 4.587042 -1.229268 ESP Fit Center 2455 is at 1.384941 4.933808 -1.229268 ESP Fit Center 2456 is at 1.083047 5.218630 -1.229268 ESP Fit Center 2457 is at 0.723607 5.426153 -1.229268 ESP Fit Center 2458 is at 0.325998 5.545189 -1.229268 ESP Fit Center 2459 is at -0.088346 5.569322 -1.229268 ESP Fit Center 2460 is at -0.497086 5.497250 -1.229268 ESP Fit Center 2461 is at -0.878188 5.332859 -1.229268 ESP Fit Center 2462 is at -1.211106 5.085011 -1.229268 ESP Fit Center 2463 is at -1.477892 4.767067 -1.229268 ESP Fit Center 2464 is at -1.664164 4.396169 -1.229268 ESP Fit Center 2465 is at -1.759881 3.992311 -1.229268 ESP Fit Center 2466 is at 1.463541 4.209944 -1.534747 ESP Fit Center 2467 is at 1.285109 4.600657 -1.534747 ESP Fit Center 2468 is at 1.003827 4.925273 -1.534747 ESP Fit Center 2469 is at 0.642485 5.157494 -1.534747 ESP Fit Center 2470 is at 0.230355 5.278506 -1.534747 ESP Fit Center 2471 is at -0.199173 5.278506 -1.534747 ESP Fit Center 2472 is at -0.611303 5.157494 -1.534747 ESP Fit Center 2473 is at -0.972645 4.925273 -1.534747 ESP Fit Center 2474 is at -1.253926 4.600657 -1.534747 ESP Fit Center 2475 is at -1.432359 4.209944 -1.534747 ESP Fit Center 2476 is at -1.493487 3.784788 -1.534747 ESP Fit Center 2477 is at -1.432359 3.359631 -1.534747 ESP Fit Center 2478 is at 1.115170 4.210767 -1.783853 ESP Fit Center 2479 is at 0.887037 4.579215 -1.783853 ESP Fit Center 2480 is at 0.541209 4.840371 -1.783853 ESP Fit Center 2481 is at 0.124395 4.958965 -1.783853 ESP Fit Center 2482 is at -0.307114 4.918980 -1.783853 ESP Fit Center 2483 is at -0.695040 4.725816 -1.783853 ESP Fit Center 2484 is at -0.986992 4.405561 -1.783853 ESP Fit Center 2485 is at -1.143539 4.001467 -1.783853 ESP Fit Center 2486 is at -1.143539 3.568109 -1.783853 ESP Fit Center 2487 is at 0.716363 4.189378 -1.968105 ESP Fit Center 2488 is at 0.420182 4.485559 -1.968105 ESP Fit Center 2489 is at 0.015591 4.593969 -1.968105 ESP Fit Center 2490 is at -0.388999 4.485559 -1.968105 ESP Fit Center 2491 is at -0.685180 4.189378 -1.968105 ESP Fit Center 2492 is at -0.793590 3.784788 -1.968105 ESP Fit Center 2493 is at -0.685180 3.380197 -1.968105 ESP Fit Center 2494 is at 0.427190 3.784788 -2.081227 ESP Fit Center 2495 is at 0.221391 4.141243 -2.081227 ESP Fit Center 2496 is at -0.190208 4.141243 -2.081227 ESP Fit Center 2497 is at -0.396008 3.784788 -2.081227 ESP Fit Center 2498 is at 0.015591 3.784788 -2.119367 ESP Fit Center 2499 is at 0.377106 2.604453 2.464137 ESP Fit Center 2500 is at 0.793862 2.604453 2.427676 ESP Fit Center 2501 is at 0.585484 2.965374 2.427676 ESP Fit Center 2502 is at 0.168728 2.965374 2.427676 ESP Fit Center 2503 is at -0.039650 2.604453 2.427676 ESP Fit Center 2504 is at 0.168728 2.243532 2.427676 ESP Fit Center 2505 is at 0.585484 2.243532 2.427676 ESP Fit Center 2506 is at 1.087982 3.014877 2.319400 ESP Fit Center 2507 is at 0.787530 3.315329 2.319400 ESP Fit Center 2508 is at 0.377106 3.425302 2.319400 ESP Fit Center 2509 is at -0.033318 3.315329 2.319400 ESP Fit Center 2510 is at -0.333769 3.014877 2.319400 ESP Fit Center 2511 is at -0.443742 2.604453 2.319400 ESP Fit Center 2512 is at -0.333769 2.194029 2.319400 ESP Fit Center 2513 is at 0.377106 1.783605 2.319400 ESP Fit Center 2514 is at 0.787530 1.893578 2.319400 ESP Fit Center 2515 is at 0.977106 3.643684 2.142598 ESP Fit Center 2516 is at -0.750525 3.014877 2.142598 ESP Fit Center 2517 is at 0.585484 1.422684 2.142598 ESP Fit Center 2518 is at -1.037867 3.219063 -1.774369 ESP Fit Center 2519 is at 0.977106 3.643684 -2.014323 ESP Fit Center 2520 is at -0.542147 3.375798 -2.014323 ESP Fit Center 2521 is at -0.750525 3.014877 -2.014323 ESP Fit Center 2522 is at 1.087982 3.014877 -2.191125 ESP Fit Center 2523 is at 0.787530 3.315329 -2.191125 ESP Fit Center 2524 is at 0.377106 3.425302 -2.191125 ESP Fit Center 2525 is at -0.033318 3.315329 -2.191125 ESP Fit Center 2526 is at -0.333769 3.014877 -2.191125 ESP Fit Center 2527 is at -0.443742 2.604453 -2.191125 ESP Fit Center 2528 is at 0.377106 1.783605 -2.191125 ESP Fit Center 2529 is at 0.787530 1.893578 -2.191125 ESP Fit Center 2530 is at 0.793862 2.604453 -2.299401 ESP Fit Center 2531 is at 0.585484 2.965374 -2.299401 ESP Fit Center 2532 is at 0.168728 2.965374 -2.299401 ESP Fit Center 2533 is at -0.039650 2.604453 -2.299401 ESP Fit Center 2534 is at 0.168728 2.243532 -2.299401 ESP Fit Center 2535 is at 0.585484 2.243532 -2.299401 ESP Fit Center 2536 is at 0.377106 2.604453 -2.335863 ESP Fit Center 2537 is at -0.564137 1.539511 2.415092 ESP Fit Center 2538 is at -0.147381 1.539511 2.378631 ESP Fit Center 2539 is at -0.355759 1.900432 2.378631 ESP Fit Center 2540 is at -0.772514 1.900432 2.378631 ESP Fit Center 2541 is at -0.980892 1.539511 2.378631 ESP Fit Center 2542 is at -0.772514 1.178590 2.378631 ESP Fit Center 2543 is at -0.355759 1.178590 2.378631 ESP Fit Center 2544 is at 0.256712 1.539511 2.270354 ESP Fit Center 2545 is at -0.564137 2.360359 2.270354 ESP Fit Center 2546 is at -0.974561 2.250386 2.270354 ESP Fit Center 2547 is at -0.974561 0.828635 2.270354 ESP Fit Center 2548 is at 0.146739 1.129087 2.270354 ESP Fit Center 2549 is at -1.164137 2.578741 2.093553 ESP Fit Center 2550 is at 0.563495 1.129087 2.093553 ESP Fit Center 2551 is at -1.080752 2.993127 -1.823415 ESP Fit Center 2552 is at -0.772514 2.721280 -2.063369 ESP Fit Center 2553 is at -1.164137 2.578741 -2.063369 ESP Fit Center 2554 is at 0.256712 1.539511 -2.240170 ESP Fit Center 2555 is at 0.146739 1.949935 -2.240170 ESP Fit Center 2556 is at -0.564137 2.360359 -2.240170 ESP Fit Center 2557 is at -0.974561 2.250386 -2.240170 ESP Fit Center 2558 is at -1.275012 1.129087 -2.240170 ESP Fit Center 2559 is at -0.974561 0.828635 -2.240170 ESP Fit Center 2560 is at -0.147381 1.539511 -2.348447 ESP Fit Center 2561 is at -0.355759 1.900432 -2.348447 ESP Fit Center 2562 is at -0.772514 1.900432 -2.348447 ESP Fit Center 2563 is at -0.980892 1.539511 -2.348447 ESP Fit Center 2564 is at -0.772514 1.178590 -2.348447 ESP Fit Center 2565 is at -0.355759 1.178590 -2.348447 ESP Fit Center 2566 is at -0.564137 1.539511 -2.384908 ESP Fit Center 2567 is at -1.973206 1.598529 2.423423 ESP Fit Center 2568 is at -1.556450 1.598529 2.386962 ESP Fit Center 2569 is at -1.764828 1.959450 2.386962 ESP Fit Center 2570 is at -2.181584 1.959450 2.386962 ESP Fit Center 2571 is at -1.764828 1.237608 2.386962 ESP Fit Center 2572 is at -1.262330 2.008953 2.278686 ESP Fit Center 2573 is at -1.562782 2.309404 2.278686 ESP Fit Center 2574 is at -1.973206 2.419377 2.278686 ESP Fit Center 2575 is at -2.383630 2.309404 2.278686 ESP Fit Center 2576 is at -1.373206 2.637759 2.101884 ESP Fit Center 2577 is at -1.764828 2.780298 2.101884 ESP Fit Center 2578 is at -2.181584 2.780298 2.101884 ESP Fit Center 2579 is at -2.573206 2.637759 2.101884 ESP Fit Center 2580 is at -1.263468 2.968260 1.861930 ESP Fit Center 2581 is at -1.659336 3.108952 1.861930 ESP Fit Center 2582 is at -2.078483 3.137622 1.861930 ESP Fit Center 2583 is at -2.489822 3.052145 1.861930 ESP Fit Center 2584 is at -2.862845 2.858860 1.861930 ESP Fit Center 2585 is at -1.653953 3.409104 1.566114 ESP Fit Center 2586 is at -2.080106 3.433925 1.566114 ESP Fit Center 2587 is at -2.500496 3.359799 1.566114 ESP Fit Center 2588 is at -2.892459 3.190722 1.566114 ESP Fit Center 2589 is at -2.078478 3.674322 1.223423 ESP Fit Center 2590 is at -2.494177 3.610639 1.223423 ESP Fit Center 2591 is at -2.888548 3.464580 1.223423 ESP Fit Center 2592 is at -3.245444 3.242125 1.223423 ESP Fit Center 2593 is at -2.294163 3.830836 0.844272 ESP Fit Center 2594 is at -2.710830 3.729753 0.844272 ESP Fit Center 2595 is at -3.100837 3.551643 0.844272 ESP Fit Center 2596 is at -2.499143 3.902808 0.440179 ESP Fit Center 2597 is at -2.902136 3.771868 0.440179 ESP Fit Center 2598 is at -3.275272 3.571075 0.440179 ESP Fit Center 2599 is at -2.389962 3.962067 0.023423 ESP Fit Center 2600 is at -2.794054 3.853791 0.023423 ESP Fit Center 2601 is at -3.173206 3.676990 0.023423 ESP Fit Center 2602 is at -2.499143 3.902808 -0.393332 ESP Fit Center 2603 is at -2.902136 3.771868 -0.393332 ESP Fit Center 2604 is at -3.275272 3.571075 -0.393332 ESP Fit Center 2605 is at -2.294163 3.830836 -0.797425 ESP Fit Center 2606 is at -2.710830 3.729753 -0.797425 ESP Fit Center 2607 is at -3.100837 3.551643 -0.797425 ESP Fit Center 2608 is at -2.078478 3.674322 -1.176577 ESP Fit Center 2609 is at -2.494177 3.610639 -1.176577 ESP Fit Center 2610 is at -2.888548 3.464580 -1.176577 ESP Fit Center 2611 is at -3.245444 3.242125 -1.176577 ESP Fit Center 2612 is at -1.653953 3.409104 -1.519267 ESP Fit Center 2613 is at -2.080106 3.433925 -1.519267 ESP Fit Center 2614 is at -2.500496 3.359799 -1.519267 ESP Fit Center 2615 is at -2.892459 3.190722 -1.519267 ESP Fit Center 2616 is at -1.263468 2.968260 -1.815083 ESP Fit Center 2617 is at -1.659336 3.108952 -1.815083 ESP Fit Center 2618 is at -2.078483 3.137622 -1.815083 ESP Fit Center 2619 is at -2.489822 3.052145 -1.815083 ESP Fit Center 2620 is at -2.862845 2.858860 -1.815083 ESP Fit Center 2621 is at -1.373206 2.637759 -2.055037 ESP Fit Center 2622 is at -1.764828 2.780298 -2.055037 ESP Fit Center 2623 is at -2.181584 2.780298 -2.055037 ESP Fit Center 2624 is at -2.573206 2.637759 -2.055037 ESP Fit Center 2625 is at -1.562782 2.309404 -2.231839 ESP Fit Center 2626 is at -1.973206 2.419377 -2.231839 ESP Fit Center 2627 is at -2.383630 2.309404 -2.231839 ESP Fit Center 2628 is at -1.556450 1.598529 -2.340115 ESP Fit Center 2629 is at -1.764828 1.959450 -2.340115 ESP Fit Center 2630 is at -2.181584 1.959450 -2.340115 ESP Fit Center 2631 is at -1.050466 -0.126161 2.282723 ESP Fit Center 2632 is at -1.258844 0.333767 2.174446 ESP Fit Center 2633 is at -0.131212 -0.897506 -2.159277 ESP Fit Center 2634 is at -0.437995 -0.487082 -2.336078 ESP Fit Center 2635 is at -1.258844 0.333767 -2.336078 ESP Fit Center 2636 is at -0.547968 -0.897506 -2.336078 ESP Fit Center 2637 is at -0.842088 -0.487082 -2.444355 ESP Fit Center 2638 is at -1.050466 -0.126161 -2.444355 ESP Fit Center 2639 is at -1.467221 -0.848002 -2.444355 ESP Fit Center 2640 is at -1.050466 -0.848002 -2.444355 ESP Fit Center 2641 is at -1.258844 -0.487082 -2.480816 ESP Fit Center 2642 is at -0.158645 0.300509 2.356310 ESP Fit Center 2643 is at 0.258111 0.300509 2.319849 ESP Fit Center 2644 is at 0.049733 0.661430 2.319849 ESP Fit Center 2645 is at -0.367023 0.661430 2.319849 ESP Fit Center 2646 is at -0.575400 0.300509 2.319849 ESP Fit Center 2647 is at -0.367023 -0.060412 2.319849 ESP Fit Center 2648 is at 0.049733 -0.060412 2.319849 ESP Fit Center 2649 is at 0.552231 0.710934 2.211573 ESP Fit Center 2650 is at 0.251779 1.011385 2.211573 ESP Fit Center 2651 is at -0.979493 0.300509 2.211573 ESP Fit Center 2652 is at 0.760608 1.071855 2.034771 ESP Fit Center 2653 is at 0.049733 -0.881260 -2.122151 ESP Fit Center 2654 is at 0.552231 0.710934 -2.298952 ESP Fit Center 2655 is at 0.251779 1.011385 -2.298952 ESP Fit Center 2656 is at -0.869520 0.710934 -2.298952 ESP Fit Center 2657 is at -0.158645 -0.520339 -2.298952 ESP Fit Center 2658 is at 0.251779 -0.410366 -2.298952 ESP Fit Center 2659 is at 0.258111 0.300509 -2.407228 ESP Fit Center 2660 is at 0.049733 0.661430 -2.407228 ESP Fit Center 2661 is at -0.367023 0.661430 -2.407228 ESP Fit Center 2662 is at -0.575400 0.300509 -2.407228 ESP Fit Center 2663 is at -0.367023 -0.060412 -2.407228 ESP Fit Center 2664 is at 0.049733 -0.060412 -2.407228 ESP Fit Center 2665 is at -0.158645 0.300509 -2.443690 ESP Fit Center 2666 is at 1.183616 -0.052980 2.339974 ESP Fit Center 2667 is at 1.600372 -0.052980 2.303512 ESP Fit Center 2668 is at 1.391994 0.307941 2.303512 ESP Fit Center 2669 is at 0.975238 0.307941 2.303512 ESP Fit Center 2670 is at 0.766860 -0.052980 2.303512 ESP Fit Center 2671 is at 0.975238 -0.413901 2.303512 ESP Fit Center 2672 is at 1.391994 -0.413901 2.303512 ESP Fit Center 2673 is at 2.004464 -0.052980 2.195236 ESP Fit Center 2674 is at 0.773192 0.657895 2.195236 ESP Fit Center 2675 is at 0.472741 -0.463404 2.195236 ESP Fit Center 2676 is at 1.183616 -0.873828 2.195236 ESP Fit Center 2677 is at 1.594040 -0.763856 2.195236 ESP Fit Center 2678 is at 1.894492 -0.463404 2.195236 ESP Fit Center 2679 is at 1.391994 -1.234749 2.018435 ESP Fit Center 2680 is at 1.783616 -1.092211 2.018435 ESP Fit Center 2681 is at 2.102869 -0.824325 2.018435 ESP Fit Center 2682 is at 2.311247 -0.463404 2.018435 ESP Fit Center 2683 is at 1.497486 -1.563404 1.778480 ESP Fit Center 2684 is at 1.893354 -1.422712 1.778480 ESP Fit Center 2685 is at 2.236584 -1.180434 1.778480 ESP Fit Center 2686 is at 1.502869 -1.863556 1.482664 ESP Fit Center 2687 is at 1.911811 -1.741126 1.482664 ESP Fit Center 2688 is at 1.498353 -2.107473 1.139974 ESP Fit Center 2689 is at 1.290926 -2.305688 0.760822 ESP Fit Center 2690 is at 1.500882 -2.395128 0.356729 ESP Fit Center 2691 is at 1.498353 -2.107473 -1.260026 ESP Fit Center 2692 is at 1.502869 -1.863556 -1.602717 ESP Fit Center 2693 is at 1.911811 -1.741126 -1.602717 ESP Fit Center 2694 is at 1.078339 -1.592074 -1.898533 ESP Fit Center 2695 is at 1.497486 -1.563404 -1.898533 ESP Fit Center 2696 is at 1.893354 -1.422712 -1.898533 ESP Fit Center 2697 is at 2.236584 -1.180434 -1.898533 ESP Fit Center 2698 is at 0.264363 -0.824325 -2.138487 ESP Fit Center 2699 is at 0.583616 -1.092211 -2.138487 ESP Fit Center 2700 is at 0.975238 -1.234749 -2.138487 ESP Fit Center 2701 is at 1.391994 -1.234749 -2.138487 ESP Fit Center 2702 is at 1.783616 -1.092211 -2.138487 ESP Fit Center 2703 is at 2.102869 -0.824325 -2.138487 ESP Fit Center 2704 is at 2.311247 -0.463404 -2.138487 ESP Fit Center 2705 is at 2.004464 -0.052980 -2.315289 ESP Fit Center 2706 is at 1.183616 0.767868 -2.315289 ESP Fit Center 2707 is at 0.773192 0.657895 -2.315289 ESP Fit Center 2708 is at 0.472741 -0.463404 -2.315289 ESP Fit Center 2709 is at 0.773192 -0.763856 -2.315289 ESP Fit Center 2710 is at 1.183616 -0.873828 -2.315289 ESP Fit Center 2711 is at 1.594040 -0.763856 -2.315289 ESP Fit Center 2712 is at 1.894492 -0.463404 -2.315289 ESP Fit Center 2713 is at 1.600372 -0.052980 -2.423565 ESP Fit Center 2714 is at 1.391994 0.307941 -2.423565 ESP Fit Center 2715 is at 0.975238 0.307941 -2.423565 ESP Fit Center 2716 is at 0.766860 -0.052980 -2.423565 ESP Fit Center 2717 is at 0.975238 -0.413901 -2.423565 ESP Fit Center 2718 is at 1.391994 -0.413901 -2.423565 ESP Fit Center 2719 is at 1.183616 -0.052980 -2.460026 ESP Fit Center 2720 is at 2.060208 0.883472 2.383775 ESP Fit Center 2721 is at 2.476964 0.883472 2.347314 ESP Fit Center 2722 is at 2.268586 1.244393 2.347314 ESP Fit Center 2723 is at 1.851831 1.244393 2.347314 ESP Fit Center 2724 is at 1.643453 0.883472 2.347314 ESP Fit Center 2725 is at 1.851831 0.522551 2.347314 ESP Fit Center 2726 is at 2.268586 0.522551 2.347314 ESP Fit Center 2727 is at 2.771084 1.293896 2.239037 ESP Fit Center 2728 is at 2.470633 1.594347 2.239037 ESP Fit Center 2729 is at 1.349333 1.293896 2.239037 ESP Fit Center 2730 is at 1.239360 0.883472 2.239037 ESP Fit Center 2731 is at 2.060208 0.062624 2.239037 ESP Fit Center 2732 is at 2.470633 0.172596 2.239037 ESP Fit Center 2733 is at 0.932577 1.293896 -2.094686 ESP Fit Center 2734 is at 2.771084 1.293896 -2.271487 ESP Fit Center 2735 is at 2.470633 1.594347 -2.271487 ESP Fit Center 2736 is at 2.060208 1.704320 -2.271487 ESP Fit Center 2737 is at 1.649784 1.594347 -2.271487 ESP Fit Center 2738 is at 1.349333 1.293896 -2.271487 ESP Fit Center 2739 is at 1.239360 0.883472 -2.271487 ESP Fit Center 2740 is at 2.470633 0.172596 -2.271487 ESP Fit Center 2741 is at 2.476964 0.883472 -2.379764 ESP Fit Center 2742 is at 2.268586 1.244393 -2.379764 ESP Fit Center 2743 is at 1.851831 1.244393 -2.379764 ESP Fit Center 2744 is at 1.643453 0.883472 -2.379764 ESP Fit Center 2745 is at 1.851831 0.522551 -2.379764 ESP Fit Center 2746 is at 2.268586 0.522551 -2.379764 ESP Fit Center 2747 is at 2.060208 0.883472 -2.416225 ESP Fit Center 2748 is at 1.668274 2.267883 2.446693 ESP Fit Center 2749 is at 2.085030 2.267883 2.410231 ESP Fit Center 2750 is at 1.876652 2.628804 2.410231 ESP Fit Center 2751 is at 1.459896 2.628804 2.410231 ESP Fit Center 2752 is at 1.251518 2.267883 2.410231 ESP Fit Center 2753 is at 1.459896 1.906962 2.410231 ESP Fit Center 2754 is at 1.876652 1.906962 2.410231 ESP Fit Center 2755 is at 2.489122 2.267883 2.301955 ESP Fit Center 2756 is at 2.379149 2.678307 2.301955 ESP Fit Center 2757 is at 2.078698 2.978759 2.301955 ESP Fit Center 2758 is at 1.668274 3.088732 2.301955 ESP Fit Center 2759 is at 1.257850 2.978759 2.301955 ESP Fit Center 2760 is at 0.957398 1.857459 2.301955 ESP Fit Center 2761 is at 1.257850 1.557008 2.301955 ESP Fit Center 2762 is at 1.668274 1.447035 2.301955 ESP Fit Center 2763 is at 2.078698 1.557008 2.301955 ESP Fit Center 2764 is at 2.379149 1.857459 2.301955 ESP Fit Center 2765 is at 2.868274 2.267883 2.125154 ESP Fit Center 2766 is at 2.795905 2.678307 2.125154 ESP Fit Center 2767 is at 2.587527 3.039228 2.125154 ESP Fit Center 2768 is at 2.268274 3.307114 2.125154 ESP Fit Center 2769 is at 1.876652 3.449653 2.125154 ESP Fit Center 2770 is at 1.459896 3.449653 2.125154 ESP Fit Center 2771 is at 2.795905 1.857459 2.125154 ESP Fit Center 2772 is at 3.210964 2.267883 1.885199 ESP Fit Center 2773 is at 3.153757 2.684096 1.885199 ESP Fit Center 2774 is at 2.378012 3.637615 1.885199 ESP Fit Center 2775 is at 1.982144 3.778307 1.885199 ESP Fit Center 2776 is at 1.562997 3.806977 1.885199 ESP Fit Center 2777 is at 3.457223 2.691872 -1.495998 ESP Fit Center 2778 is at 1.987527 4.078459 -1.495998 ESP Fit Center 2779 is at 1.561374 4.103280 -1.495998 ESP Fit Center 2780 is at 3.210964 2.267883 -1.791814 ESP Fit Center 2781 is at 3.153757 2.684096 -1.791814 ESP Fit Center 2782 is at 2.986378 3.069440 -1.791814 ESP Fit Center 2783 is at 2.721242 3.395337 -1.791814 ESP Fit Center 2784 is at 2.378012 3.637615 -1.791814 ESP Fit Center 2785 is at 1.982144 3.778307 -1.791814 ESP Fit Center 2786 is at 1.562997 3.806977 -1.791814 ESP Fit Center 2787 is at 2.868274 2.267883 -2.031768 ESP Fit Center 2788 is at 2.795905 2.678307 -2.031768 ESP Fit Center 2789 is at 2.587527 3.039228 -2.031768 ESP Fit Center 2790 is at 2.268274 3.307114 -2.031768 ESP Fit Center 2791 is at 1.876652 3.449653 -2.031768 ESP Fit Center 2792 is at 1.459896 3.449653 -2.031768 ESP Fit Center 2793 is at 2.489122 2.267883 -2.208570 ESP Fit Center 2794 is at 2.379149 2.678307 -2.208570 ESP Fit Center 2795 is at 2.078698 2.978759 -2.208570 ESP Fit Center 2796 is at 1.668274 3.088732 -2.208570 ESP Fit Center 2797 is at 1.257850 2.978759 -2.208570 ESP Fit Center 2798 is at 0.957398 1.857459 -2.208570 ESP Fit Center 2799 is at 1.257850 1.557008 -2.208570 ESP Fit Center 2800 is at 2.379149 1.857459 -2.208570 ESP Fit Center 2801 is at 2.085030 2.267883 -2.316846 ESP Fit Center 2802 is at 1.876652 2.628804 -2.316846 ESP Fit Center 2803 is at 1.459896 2.628804 -2.316846 ESP Fit Center 2804 is at 1.251518 2.267883 -2.316846 ESP Fit Center 2805 is at 1.459896 1.906962 -2.316846 ESP Fit Center 2806 is at 1.876652 1.906962 -2.316846 ESP Fit Center 2807 is at 1.668274 2.267883 -2.353307 ESP Fit Center 2808 is at 0.927788 -3.087100 0.595429 ESP Fit Center 2809 is at 1.105279 -2.698448 0.595429 ESP Fit Center 2810 is at 0.278385 -3.892982 0.231385 ESP Fit Center 2811 is at 0.647641 -3.699182 0.231385 ESP Fit Center 2812 is at 0.959787 -3.422645 0.231385 ESP Fit Center 2813 is at 1.196683 -3.079441 0.231385 ESP Fit Center 2814 is at 1.344562 -2.689518 0.231385 ESP Fit Center 2815 is at 0.081497 -4.100465 -0.174432 ESP Fit Center 2816 is at 0.477138 -3.962024 -0.174432 ESP Fit Center 2817 is at 0.832055 -3.739015 -0.174432 ESP Fit Center 2818 is at 1.128449 -3.442622 -0.174432 ESP Fit Center 2819 is at 1.351457 -3.087705 -0.174432 ESP Fit Center 2820 is at 1.489898 -2.692063 -0.174432 ESP Fit Center 2821 is at -0.231085 -4.192719 -0.601672 ESP Fit Center 2822 is at 0.178623 -4.125551 -0.601672 ESP Fit Center 2823 is at 0.564312 -3.971878 -0.601672 ESP Fit Center 2824 is at 0.907950 -3.738886 -0.601672 ESP Fit Center 2825 is at 1.193467 -3.437470 -0.601672 ESP Fit Center 2826 is at 1.407513 -3.081722 -0.601672 ESP Fit Center 2827 is at 1.540080 -2.688278 -0.601672 ESP Fit Center 2828 is at 1.536830 -2.275535 -1.028912 ESP Fit Center 2829 is at -0.335032 -4.147397 -1.028912 ESP Fit Center 2830 is at 0.081497 -4.100465 -1.028912 ESP Fit Center 2831 is at 0.477138 -3.962024 -1.028912 ESP Fit Center 2832 is at 0.832055 -3.739015 -1.028912 ESP Fit Center 2833 is at 1.128449 -3.442622 -1.028912 ESP Fit Center 2834 is at 1.351457 -3.087705 -1.028912 ESP Fit Center 2835 is at 1.489898 -2.692063 -1.028912 ESP Fit Center 2836 is at 1.394828 -2.275535 -1.434729 ESP Fit Center 2837 is at -0.543543 -3.992783 -1.434729 ESP Fit Center 2838 is at -0.126520 -3.992783 -1.434729 ESP Fit Center 2839 is at 0.278385 -3.892982 -1.434729 ESP Fit Center 2840 is at 0.647641 -3.699182 -1.434729 ESP Fit Center 2841 is at 0.959787 -3.422645 -1.434729 ESP Fit Center 2842 is at 1.196683 -3.079441 -1.434729 ESP Fit Center 2843 is at 1.344562 -2.689518 -1.434729 ESP Fit Center 2844 is at 1.166085 -2.275535 -1.798772 ESP Fit Center 2845 is at 1.105279 -1.852622 -1.798772 ESP Fit Center 2846 is at -0.548663 -3.761372 -1.798772 ESP Fit Center 2847 is at -0.121401 -3.761372 -1.798772 ESP Fit Center 2848 is at 0.288554 -3.640999 -1.798772 ESP Fit Center 2849 is at 0.647990 -3.410003 -1.798772 ESP Fit Center 2850 is at 0.927788 -3.087100 -1.798772 ESP Fit Center 2851 is at 1.105279 -2.698448 -1.798772 ESP Fit Center 2852 is at 0.862069 -2.275535 -2.102788 ESP Fit Center 2853 is at 0.789875 -1.866103 -2.102788 ESP Fit Center 2854 is at 0.582000 -1.506054 -2.102788 ESP Fit Center 2855 is at 0.263518 -1.238816 -2.102788 ESP Fit Center 2856 is at -0.542906 -3.454449 -2.102788 ESP Fit Center 2857 is at -0.127158 -3.454449 -2.102788 ESP Fit Center 2858 is at 0.263518 -3.312254 -2.102788 ESP Fit Center 2859 is at 0.582000 -3.045016 -2.102788 ESP Fit Center 2860 is at 0.789875 -2.684968 -2.102788 ESP Fit Center 2861 is at 0.498025 -2.275535 -2.331532 ESP Fit Center 2862 is at 0.386417 -1.859007 -2.331532 ESP Fit Center 2863 is at 0.081497 -1.554087 -2.331532 ESP Fit Center 2864 is at -0.335032 -1.442478 -2.331532 ESP Fit Center 2865 is at -0.751560 -2.996983 -2.331532 ESP Fit Center 2866 is at -0.335032 -3.108592 -2.331532 ESP Fit Center 2867 is at 0.081497 -2.996983 -2.331532 ESP Fit Center 2868 is at 0.386417 -2.692063 -2.331532 ESP Fit Center 2869 is at 0.092208 -2.275535 -2.473533 ESP Fit Center 2870 is at -0.121412 -1.905534 -2.473533 ESP Fit Center 2871 is at -0.548652 -1.905534 -2.473533 ESP Fit Center 2872 is at -0.762272 -2.275535 -2.473533 ESP Fit Center 2873 is at -0.548652 -2.645536 -2.473533 ESP Fit Center 2874 is at -0.121412 -2.645536 -2.473533 ESP Fit Center 2875 is at -0.335032 -2.275535 -2.521672 ESP Fit Center 2876 is at -1.793104 -4.292616 2.973834 ESP Fit Center 2877 is at -1.376576 -4.404224 2.973834 ESP Fit Center 2878 is at -0.960047 -4.292616 2.973834 ESP Fit Center 2879 is at -2.293608 -4.340649 2.745090 ESP Fit Center 2880 is at -1.975126 -4.607887 2.745090 ESP Fit Center 2881 is at -1.584450 -4.750081 2.745090 ESP Fit Center 2882 is at -1.168701 -4.750081 2.745090 ESP Fit Center 2883 is at -0.778025 -4.607887 2.745090 ESP Fit Center 2884 is at -0.459543 -4.340649 2.745090 ESP Fit Center 2885 is at -2.816886 -3.994081 2.441074 ESP Fit Center 2886 is at -2.639395 -4.382732 2.441074 ESP Fit Center 2887 is at -2.359598 -4.705636 2.441074 ESP Fit Center 2888 is at -2.000162 -4.936631 2.441074 ESP Fit Center 2889 is at -1.590207 -5.057005 2.441074 ESP Fit Center 2890 is at -1.162944 -5.057005 2.441074 ESP Fit Center 2891 is at -0.752989 -4.936631 2.441074 ESP Fit Center 2892 is at -0.393553 -4.705636 2.441074 ESP Fit Center 2893 is at -0.113756 -4.382732 2.441074 ESP Fit Center 2894 is at -3.056169 -3.985150 2.077031 ESP Fit Center 2895 is at -2.908291 -4.375074 2.077031 ESP Fit Center 2896 is at -2.671395 -4.718277 2.077031 ESP Fit Center 2897 is at -2.359248 -4.994815 2.077031 ESP Fit Center 2898 is at -1.989992 -5.188615 2.077031 ESP Fit Center 2899 is at -1.585087 -5.288415 2.077031 ESP Fit Center 2900 is at -1.168064 -5.288415 2.077031 ESP Fit Center 2901 is at -0.763159 -5.188615 2.077031 ESP Fit Center 2902 is at -0.393903 -4.994815 2.077031 ESP Fit Center 2903 is at -0.081757 -4.718277 2.077031 ESP Fit Center 2904 is at 0.155140 -4.375074 2.077031 ESP Fit Center 2905 is at -3.201506 -3.987696 1.671214 ESP Fit Center 2906 is at -3.063065 -4.383338 1.671214 ESP Fit Center 2907 is at -2.840056 -4.738254 1.671214 ESP Fit Center 2908 is at -2.543662 -5.034648 1.671214 ESP Fit Center 2909 is at -2.188746 -5.257657 1.671214 ESP Fit Center 2910 is at -1.793104 -5.396098 1.671214 ESP Fit Center 2911 is at -1.376576 -5.443029 1.671214 ESP Fit Center 2912 is at -0.960047 -5.396098 1.671214 ESP Fit Center 2913 is at -0.564405 -5.257657 1.671214 ESP Fit Center 2914 is at -0.209489 -5.034648 1.671214 ESP Fit Center 2915 is at 0.086905 -4.738254 1.671214 ESP Fit Center 2916 is at 0.309913 -4.383338 1.671214 ESP Fit Center 2917 is at -3.196070 -4.184226 1.243974 ESP Fit Center 2918 is at -3.021741 -4.561031 1.243974 ESP Fit Center 2919 is at -2.770487 -4.891551 1.243974 ESP Fit Center 2920 is at -2.454055 -5.160330 1.243974 ESP Fit Center 2921 is at -2.087241 -5.354803 1.243974 ESP Fit Center 2922 is at -1.687197 -5.465874 1.243974 ESP Fit Center 2923 is at -1.272629 -5.488352 1.243974 ESP Fit Center 2924 is at -0.862921 -5.421184 1.243974 ESP Fit Center 2925 is at -0.477231 -5.267511 1.243974 ESP Fit Center 2926 is at -0.133594 -5.034519 1.243974 ESP Fit Center 2927 is at 0.151923 -4.733102 1.243974 ESP Fit Center 2928 is at 0.365969 -4.377355 1.243974 ESP Fit Center 2929 is at 0.498536 -3.983911 1.243974 ESP Fit Center 2930 is at -3.201506 -3.987696 0.816734 ESP Fit Center 2931 is at -3.063065 -4.383338 0.816734 ESP Fit Center 2932 is at -2.840056 -4.738254 0.816734 ESP Fit Center 2933 is at -2.543662 -5.034648 0.816734 ESP Fit Center 2934 is at -2.188746 -5.257657 0.816734 ESP Fit Center 2935 is at -1.793104 -5.396098 0.816734 ESP Fit Center 2936 is at -1.376576 -5.443029 0.816734 ESP Fit Center 2937 is at -0.960047 -5.396098 0.816734 ESP Fit Center 2938 is at -0.564405 -5.257657 0.816734 ESP Fit Center 2939 is at -0.209489 -5.034648 0.816734 ESP Fit Center 2940 is at 0.086905 -4.738254 0.816734 ESP Fit Center 2941 is at 0.309913 -4.383338 0.816734 ESP Fit Center 2942 is at 0.448355 -3.987696 0.816734 ESP Fit Center 2943 is at -2.359248 -4.994815 0.410917 ESP Fit Center 2944 is at -1.989992 -5.188615 0.410917 ESP Fit Center 2945 is at -1.585087 -5.288415 0.410917 ESP Fit Center 2946 is at -1.168064 -5.288415 0.410917 ESP Fit Center 2947 is at -0.763159 -5.188615 0.410917 ESP Fit Center 2948 is at -0.393903 -4.994815 0.410917 ESP Fit Center 2949 is at -0.081757 -4.718277 0.410917 ESP Fit Center 2950 is at 0.155140 -4.375074 0.410917 ESP Fit Center 2951 is at 0.303018 -3.985150 0.410917 ESP Fit Center 2952 is at -1.590207 -5.057005 0.046873 ESP Fit Center 2953 is at -1.162944 -5.057005 0.046873 ESP Fit Center 2954 is at -0.752989 -4.936631 0.046873 ESP Fit Center 2955 is at -0.393553 -4.705636 0.046873 ESP Fit Center 2956 is at -0.113756 -4.382732 0.046873 ESP Fit Center 2957 is at -1.168701 -4.750081 -0.257143 ESP Fit Center 2958 is at -0.778025 -4.607887 -0.257143 ESP Fit Center 2959 is at -0.459543 -4.340649 -0.257143 ESP Fit Center 2960 is at -0.502589 -2.129482 3.783028 ESP Fit Center 2961 is at -0.075349 -2.129482 3.734890 ESP Fit Center 2962 is at -0.288969 -1.759481 3.734890 ESP Fit Center 2963 is at -0.716209 -1.759481 3.734890 ESP Fit Center 2964 is at -0.929829 -2.129482 3.734890 ESP Fit Center 2965 is at -0.716209 -2.499483 3.734890 ESP Fit Center 2966 is at -0.288969 -2.499483 3.734890 ESP Fit Center 2967 is at 0.330468 -2.129482 3.592889 ESP Fit Center 2968 is at 0.218859 -1.712953 3.592889 ESP Fit Center 2969 is at -0.086061 -1.408033 3.592889 ESP Fit Center 2970 is at -0.502589 -1.296425 3.592889 ESP Fit Center 2971 is at -0.919117 -1.408033 3.592889 ESP Fit Center 2972 is at -1.224037 -1.712953 3.592889 ESP Fit Center 2973 is at -0.502589 -2.962539 3.592889 ESP Fit Center 2974 is at -0.086061 -2.850930 3.592889 ESP Fit Center 2975 is at 0.218859 -2.546010 3.592889 ESP Fit Center 2976 is at 0.694512 -2.129482 3.364145 ESP Fit Center 2977 is at 0.622318 -1.720049 3.364145 ESP Fit Center 2978 is at 0.414443 -1.360000 3.364145 ESP Fit Center 2979 is at 0.095961 -1.092762 3.364145 ESP Fit Center 2980 is at -0.294715 -0.950568 3.364145 ESP Fit Center 2981 is at -0.710463 -0.950568 3.364145 ESP Fit Center 2982 is at -1.101139 -1.092762 3.364145 ESP Fit Center 2983 is at -0.294715 -3.308396 3.364145 ESP Fit Center 2984 is at 0.095961 -3.166201 3.364145 ESP Fit Center 2985 is at 0.414443 -2.898963 3.364145 ESP Fit Center 2986 is at 0.622318 -2.538914 3.364145 ESP Fit Center 2987 is at 0.998528 -2.129482 3.060129 ESP Fit Center 2988 is at 0.937722 -1.706568 3.060129 ESP Fit Center 2989 is at 0.760231 -1.317917 3.060129 ESP Fit Center 2990 is at 0.480433 -0.995014 3.060129 ESP Fit Center 2991 is at 0.120997 -0.764018 3.060129 ESP Fit Center 2992 is at -0.288958 -0.643645 3.060129 ESP Fit Center 2993 is at -0.716220 -0.643645 3.060129 ESP Fit Center 2994 is at -1.126175 -0.764018 3.060129 ESP Fit Center 2995 is at 0.120997 -3.494945 3.060129 ESP Fit Center 2996 is at 0.480433 -3.263950 3.060129 ESP Fit Center 2997 is at 0.760231 -2.941047 3.060129 ESP Fit Center 2998 is at 0.937722 -2.552395 3.060129 ESP Fit Center 2999 is at 1.227271 -2.129482 2.696085 ESP Fit Center 3000 is at 1.177005 -1.715499 2.696085 ESP Fit Center 3001 is at 1.029126 -1.325576 2.696085 ESP Fit Center 3002 is at 0.792230 -0.982372 2.696085 ESP Fit Center 3003 is at 0.480084 -0.705835 2.696085 ESP Fit Center 3004 is at 0.110828 -0.512034 2.696085 ESP Fit Center 3005 is at -0.294077 -0.412234 2.696085 ESP Fit Center 3006 is at -0.711101 -0.412234 2.696085 ESP Fit Center 3007 is at -1.116006 -0.512034 2.696085 ESP Fit Center 3008 is at 0.110828 -3.746929 2.696085 ESP Fit Center 3009 is at 0.480084 -3.553129 2.696085 ESP Fit Center 3010 is at 0.792230 -3.276591 2.696085 ESP Fit Center 3011 is at 1.029126 -2.933388 2.696085 ESP Fit Center 3012 is at 1.177005 -2.543464 2.696085 ESP Fit Center 3013 is at 1.369273 -2.129482 2.290269 ESP Fit Center 3014 is at 1.322341 -1.712953 2.290269 ESP Fit Center 3015 is at 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1.435788 ESP Fit Center 3034 is at 1.183900 -2.941652 1.435788 ESP Fit Center 3035 is at 1.322341 -2.546010 1.435788 ESP Fit Center 3036 is at 1.029126 -2.933388 1.029972 ESP Fit Center 3037 is at 1.177005 -2.543464 1.029972 ESP Fit Center 3038 is at 3.816632 -0.636577 2.352565 ESP Fit Center 3039 is at 4.233388 -0.636577 2.316103 ESP Fit Center 3040 is at 4.025010 -0.275656 2.316103 ESP Fit Center 3041 is at 3.608254 -0.275656 2.316103 ESP Fit Center 3042 is at 3.399876 -0.636577 2.316103 ESP Fit Center 3043 is at 3.608254 -0.997497 2.316103 ESP Fit Center 3044 is at 4.025010 -0.997497 2.316103 ESP Fit Center 3045 is at 4.527508 -0.226152 2.207827 ESP Fit Center 3046 is at 4.227056 0.074299 2.207827 ESP Fit Center 3047 is at 2.995784 -0.636577 2.207827 ESP Fit Center 3048 is at 3.105757 -1.047001 2.207827 ESP Fit Center 3049 is at 3.406208 -1.347452 2.207827 ESP Fit Center 3050 is at 3.816632 -1.457425 2.207827 ESP Fit Center 3051 is at 4.227056 -1.347452 2.207827 ESP Fit Center 3052 is at 2.616632 -0.636577 2.031026 ESP Fit Center 3053 is at 2.689001 -1.047001 2.031026 ESP Fit Center 3054 is at 2.897379 -1.407922 2.031026 ESP Fit Center 3055 is at 3.216632 -1.675807 2.031026 ESP Fit Center 3056 is at 3.608254 -1.818346 2.031026 ESP Fit Center 3057 is at 4.025010 -1.818346 2.031026 ESP Fit Center 3058 is at 2.401659 -1.251186 1.791072 ESP Fit Center 3059 is at 3.300017 -2.090193 1.791072 ESP Fit Center 3060 is at 2.401659 -1.251186 -1.885942 ESP Fit Center 3061 is at 3.300017 -2.090193 -1.885942 ESP Fit Center 3062 is at 2.616632 -0.636577 -2.125896 ESP Fit Center 3063 is at 2.689001 -1.047001 -2.125896 ESP Fit Center 3064 is at 2.897379 -1.407922 -2.125896 ESP Fit Center 3065 is at 3.216632 -1.675807 -2.125896 ESP Fit Center 3066 is at 3.608254 -1.818346 -2.125896 ESP Fit Center 3067 is at 4.025010 -1.818346 -2.125896 ESP Fit Center 3068 is at 4.527508 -0.226152 -2.302697 ESP Fit Center 3069 is at 4.227056 0.074299 -2.302697 ESP Fit Center 3070 is at 3.105757 -0.226152 -2.302697 ESP Fit Center 3071 is at 2.995784 -0.636577 -2.302697 ESP Fit Center 3072 is at 3.105757 -1.047001 -2.302697 ESP Fit Center 3073 is at 3.406208 -1.347452 -2.302697 ESP Fit Center 3074 is at 3.816632 -1.457425 -2.302697 ESP Fit Center 3075 is at 4.227056 -1.347452 -2.302697 ESP Fit Center 3076 is at 4.233388 -0.636577 -2.410974 ESP Fit Center 3077 is at 4.025010 -0.275656 -2.410974 ESP Fit Center 3078 is at 3.608254 -0.275656 -2.410974 ESP Fit Center 3079 is at 3.399876 -0.636577 -2.410974 ESP Fit Center 3080 is at 3.608254 -0.997497 -2.410974 ESP Fit Center 3081 is at 4.025010 -0.997497 -2.410974 ESP Fit Center 3082 is at 3.816632 -0.636577 -2.447435 ESP Fit Center 3083 is at -4.200537 -0.156117 3.638834 ESP Fit Center 3084 is at -3.788508 -0.156117 3.615695 ESP Fit Center 3085 is at -3.994523 0.200711 3.615695 ESP Fit Center 3086 is at -4.406552 0.200711 3.615695 ESP Fit Center 3087 is at -4.612567 -0.156117 3.615695 ESP Fit Center 3088 is at -4.406552 -0.512945 3.615695 ESP Fit Center 3089 is at -3.994523 -0.512945 3.615695 ESP Fit Center 3090 is at -3.381660 -0.156117 3.546568 ESP Fit Center 3091 is at -3.491369 0.253322 3.546568 ESP Fit Center 3092 is at -3.791099 0.553051 3.546568 ESP Fit Center 3093 is at -4.200537 0.662760 3.546568 ESP Fit Center 3094 is at -4.609976 0.553051 3.546568 ESP Fit Center 3095 is at -4.909706 0.253322 3.546568 ESP Fit Center 3096 is at -5.019415 -0.156117 3.546568 ESP Fit Center 3097 is at -4.909706 -0.565555 3.546568 ESP Fit Center 3098 is at -4.609976 -0.865285 3.546568 ESP Fit Center 3099 is at -4.200537 -0.974994 3.546568 ESP Fit Center 3100 is at -3.791099 -0.865285 3.546568 ESP Fit Center 3101 is at -3.491369 -0.565555 3.546568 ESP Fit Center 3102 is at -2.985111 -0.156117 3.432324 ESP Fit Center 3103 is at -3.058410 0.259584 3.432324 ESP Fit Center 3104 is at -3.269466 0.625145 3.432324 ESP Fit Center 3105 is at -3.592824 0.896474 3.432324 ESP Fit Center 3106 is at -3.989481 1.040845 3.432324 ESP Fit Center 3107 is at -4.411594 1.040845 3.432324 ESP Fit Center 3108 is at -4.808251 0.896474 3.432324 ESP Fit Center 3109 is at -5.131609 0.625145 3.432324 ESP Fit Center 3110 is at -5.342665 0.259584 3.432324 ESP Fit Center 3111 is at -5.415964 -0.156117 3.432324 ESP Fit Center 3112 is at -5.342665 -0.571817 3.432324 ESP Fit Center 3113 is at -5.131609 -0.937378 3.432324 ESP Fit Center 3114 is at -4.808251 -1.208707 3.432324 ESP Fit Center 3115 is at -4.411594 -1.353079 3.432324 ESP Fit Center 3116 is at -3.989481 -1.353079 3.432324 ESP Fit Center 3117 is at -3.592824 -1.208707 3.432324 ESP Fit Center 3118 is at -3.269466 -0.937378 3.432324 ESP Fit Center 3119 is at -3.058410 -0.571817 3.432324 ESP Fit Center 3120 is at -2.603845 -0.156117 3.274399 ESP Fit Center 3121 is at -2.658251 0.257137 3.274399 ESP Fit Center 3122 is at -2.817761 0.642229 3.274399 ESP Fit Center 3123 is at -3.071506 0.972915 3.274399 ESP Fit Center 3124 is at -3.402191 1.226659 3.274399 ESP Fit Center 3125 is at 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-0.156117 3.074779 ESP Fit Center 3144 is at -2.288434 0.264769 3.074779 ESP Fit Center 3145 is at -2.423615 0.665975 3.074779 ESP Fit Center 3146 is at -2.641884 1.028740 3.074779 ESP Fit Center 3147 is at -2.933034 1.336103 3.074779 ESP Fit Center 3148 is at -3.283451 1.573692 3.074779 ESP Fit Center 3149 is at -3.676750 1.730397 3.074779 ESP Fit Center 3150 is at -4.094540 1.798890 3.074779 ESP Fit Center 3151 is at -4.517287 1.775969 3.074779 ESP Fit Center 3152 is at -4.925223 1.662706 3.074779 ESP Fit Center 3153 is at -5.299273 1.464397 3.074779 ESP Fit Center 3154 is at -5.621948 1.190315 3.074779 ESP Fit Center 3155 is at -5.878159 0.853275 3.074779 ESP Fit Center 3156 is at -6.055927 0.469037 3.074779 ESP Fit Center 3157 is at -6.146938 0.055567 3.074779 ESP Fit Center 3158 is at -6.146938 -0.367801 3.074779 ESP Fit Center 3159 is at -6.055927 -0.781270 3.074779 ESP Fit Center 3160 is at -5.878159 -1.165508 3.074779 ESP Fit Center 3161 is at -5.621948 -1.502549 3.074779 ESP 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Center 3217 is at -6.399851 -1.546879 2.560987 ESP Fit Center 3218 is at -6.148277 -1.881663 2.560987 ESP Fit Center 3219 is at -5.846257 -2.171757 2.560987 ESP Fit Center 3220 is at -5.501614 -2.409647 2.560987 ESP Fit Center 3221 is at -5.123274 -2.589172 2.560987 ESP Fit Center 3222 is at -4.721035 -2.705682 2.560987 ESP Fit Center 3223 is at -4.305316 -2.756159 2.560987 ESP Fit Center 3224 is at -1.354058 0.262798 2.253276 ESP Fit Center 3225 is at -1.445387 0.672785 2.253276 ESP Fit Center 3226 is at -2.701719 2.299790 2.253276 ESP Fit Center 3227 is at -3.075274 2.491848 2.253276 ESP Fit Center 3228 is at -3.472813 2.627469 2.253276 ESP Fit Center 3229 is at -3.885861 2.703763 2.253276 ESP Fit Center 3230 is at -4.305616 2.719103 2.253276 ESP Fit Center 3231 is at -4.723132 2.673164 2.253276 ESP Fit Center 3232 is at -5.129510 2.566923 2.253276 ESP Fit Center 3233 is at -5.516088 2.402645 2.253276 ESP Fit Center 3234 is at -5.874627 2.183831 2.253276 ESP Fit Center 3235 is at 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Fit Center 3272 is at -6.511485 -2.246245 1.916712 ESP Fit Center 3273 is at -6.212278 -2.535615 1.916712 ESP Fit Center 3274 is at -5.877173 -2.782523 1.916712 ESP Fit Center 3275 is at -5.512147 -2.982562 1.916712 ESP Fit Center 3276 is at -5.123716 -3.132164 1.916712 ESP Fit Center 3277 is at -4.718811 -3.228658 1.916712 ESP Fit Center 3278 is at -4.304657 -3.270322 1.916712 ESP Fit Center 3279 is at -3.888645 -3.256413 1.916712 ESP Fit Center 3280 is at -3.579262 3.100721 1.555526 ESP Fit Center 3281 is at -3.992351 3.152906 1.555526 ESP Fit Center 3282 is at -4.408724 3.152906 1.555526 ESP Fit Center 3283 is at -4.821812 3.100721 1.555526 ESP Fit Center 3284 is at -5.225104 2.997173 1.555526 ESP Fit Center 3285 is at -5.612237 2.843896 1.555526 ESP Fit Center 3286 is at -5.977106 2.643308 1.555526 ESP Fit Center 3287 is at -6.313958 2.398570 1.555526 ESP Fit Center 3288 is at -6.617481 2.113544 1.555526 ESP Fit Center 3289 is at -6.882886 1.792724 1.555526 ESP Fit Center 3290 is 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Fit Center 3327 is at -7.276161 -1.770328 1.174261 ESP Fit Center 3328 is at -7.059164 -2.129284 1.174261 ESP Fit Center 3329 is at -6.800483 -2.459467 1.174261 ESP Fit Center 3330 is at -6.503888 -2.756062 1.174261 ESP Fit Center 3331 is at -6.173705 -3.014744 1.174261 ESP Fit Center 3332 is at -5.814749 -3.231740 1.174261 ESP Fit Center 3333 is at -5.432254 -3.403887 1.174261 ESP Fit Center 3334 is at -5.031798 -3.528674 1.174261 ESP Fit Center 3335 is at -4.619221 -3.604282 1.174261 ESP Fit Center 3336 is at -4.200537 -3.629608 1.174261 ESP Fit Center 3337 is at -3.781854 -3.604282 1.174261 ESP Fit Center 3338 is at -3.577534 3.377112 0.777711 ESP Fit Center 3339 is at -3.991929 3.425548 0.777711 ESP Fit Center 3340 is at -4.409146 3.425548 0.777711 ESP Fit Center 3341 is at -4.823541 3.377112 0.777711 ESP Fit Center 3342 is at -5.229511 3.280895 0.777711 ESP Fit Center 3343 is at -5.621567 3.138199 0.777711 ESP Fit Center 3344 is at -5.994405 2.950953 0.777711 ESP Fit Center 3345 is at -6.342984 2.721688 0.777711 ESP Fit Center 3346 is at -6.662590 2.453507 0.777711 ESP Fit Center 3347 is at -6.948902 2.150035 0.777711 ESP Fit Center 3348 is at -7.198046 1.815376 0.777711 ESP Fit Center 3349 is at -7.406654 1.454056 0.777711 ESP Fit Center 3350 is at -7.571905 1.070961 0.777711 ESP Fit Center 3351 is at -7.691564 0.671272 0.777711 ESP Fit Center 3352 is at -7.764013 0.260394 0.777711 ESP Fit Center 3353 is at -7.788272 -0.156117 0.777711 ESP Fit Center 3354 is at -7.764013 -0.572627 0.777711 ESP Fit Center 3355 is at -7.691564 -0.983505 0.777711 ESP Fit Center 3356 is at -7.571905 -1.383194 0.777711 ESP Fit Center 3357 is at -7.406654 -1.766289 0.777711 ESP Fit Center 3358 is at -7.198046 -2.127609 0.777711 ESP Fit Center 3359 is at -6.948902 -2.462268 0.777711 ESP Fit Center 3360 is at -6.662590 -2.765741 0.777711 ESP Fit Center 3361 is at -6.342984 -3.033922 0.777711 ESP Fit Center 3362 is at -5.994405 -3.263186 0.777711 ESP Fit Center 3363 is at -5.621567 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Fit Center 3382 is at -7.803839 0.467459 0.370863 ESP Fit Center 3383 is at -7.851434 0.052649 0.370863 ESP Fit Center 3384 is at -7.851434 -0.364883 0.370863 ESP Fit Center 3385 is at -7.803839 -0.779693 0.370863 ESP Fit Center 3386 is at -7.709270 -1.186374 0.370863 ESP Fit Center 3387 is at -7.568959 -1.579624 0.370863 ESP Fit Center 3388 is at -7.384735 -1.954316 0.370863 ESP Fit Center 3389 is at -7.159000 -2.305566 0.370863 ESP Fit Center 3390 is at -6.894697 -2.628794 0.370863 ESP Fit Center 3391 is at -6.595272 -2.919788 0.370863 ESP Fit Center 3392 is at -6.264628 -3.174753 0.370863 ESP Fit Center 3393 is at -5.907075 -3.390365 0.370863 ESP Fit Center 3394 is at -5.527275 -3.563814 0.370863 ESP Fit Center 3395 is at -5.130179 -3.692838 0.370863 ESP Fit Center 3396 is at -4.720963 -3.775756 0.370863 ESP Fit Center 3397 is at -4.304963 -3.811487 0.370863 ESP Fit Center 3398 is at -3.887602 -3.799563 0.370863 ESP Fit Center 3399 is at -3.788508 3.500744 -0.041166 ESP Fit Center 3400 is at -4.200537 3.523883 -0.041166 ESP Fit Center 3401 is at -4.612567 3.500744 -0.041166 ESP Fit Center 3402 is at -5.019415 3.431618 -0.041166 ESP Fit Center 3403 is at -5.415964 3.317374 -0.041166 ESP Fit Center 3404 is at -5.797230 3.159449 -0.041166 ESP Fit Center 3405 is at -6.158416 2.959828 -0.041166 ESP Fit Center 3406 is at -6.494980 2.721023 -0.041166 ESP Fit Center 3407 is at -6.802690 2.446036 -0.041166 ESP Fit Center 3408 is at -7.077677 2.138326 -0.041166 ESP Fit Center 3409 is at -7.316483 1.801761 -0.041166 ESP Fit Center 3410 is at -7.516103 1.440575 -0.041166 ESP Fit Center 3411 is at -7.674028 1.059310 -0.041166 ESP Fit Center 3412 is at -7.788272 0.662760 -0.041166 ESP Fit Center 3413 is at -7.857398 0.255912 -0.041166 ESP Fit Center 3414 is at -7.880537 -0.156117 -0.041166 ESP Fit Center 3415 is at -7.857398 -0.568146 -0.041166 ESP Fit Center 3416 is at -7.788272 -0.974994 -0.041166 ESP Fit Center 3417 is at -7.674028 -1.371544 -0.041166 ESP Fit Center 3418 is at -7.516103 -1.752809 -0.041166 ESP Fit Center 3419 is at -7.316483 -2.113995 -0.041166 ESP Fit Center 3420 is at -7.077677 -2.450559 -0.041166 ESP Fit Center 3421 is at -6.802690 -2.758270 -0.041166 ESP Fit Center 3422 is at -6.494980 -3.033257 -0.041166 ESP Fit Center 3423 is at -6.158416 -3.272062 -0.041166 ESP Fit Center 3424 is at -5.797230 -3.471682 -0.041166 ESP Fit Center 3425 is at -5.415964 -3.629608 -0.041166 ESP Fit Center 3426 is at -5.019415 -3.743852 -0.041166 ESP Fit Center 3427 is at -4.612567 -3.812978 -0.041166 ESP Fit Center 3428 is at -4.200537 -3.836117 -0.041166 ESP Fit Center 3429 is at -3.474320 3.427909 -0.453196 ESP Fit Center 3430 is at -3.887602 3.487330 -0.453196 ESP Fit Center 3431 is at -4.304963 3.499253 -0.453196 ESP Fit Center 3432 is at -4.720963 3.463522 -0.453196 ESP Fit Center 3433 is at -5.130179 3.380605 -0.453196 ESP Fit Center 3434 is at -5.527275 3.251580 -0.453196 ESP Fit Center 3435 is at -5.907075 3.078131 -0.453196 ESP Fit Center 3436 is at -6.264628 2.862519 -0.453196 ESP Fit Center 3437 is at -6.595272 2.607554 -0.453196 ESP Fit Center 3438 is at -6.894697 2.316561 -0.453196 ESP Fit Center 3439 is at -7.159000 1.993332 -0.453196 ESP Fit Center 3440 is at -7.384735 1.642082 -0.453196 ESP Fit Center 3441 is at -7.568959 1.267390 -0.453196 ESP Fit Center 3442 is at -7.709270 0.874140 -0.453196 ESP Fit Center 3443 is at -7.803839 0.467459 -0.453196 ESP Fit Center 3444 is at -7.851434 0.052649 -0.453196 ESP Fit Center 3445 is at -7.851434 -0.364883 -0.453196 ESP Fit Center 3446 is at -7.803839 -0.779693 -0.453196 ESP Fit Center 3447 is at -7.709270 -1.186374 -0.453196 ESP Fit Center 3448 is at -7.568959 -1.579624 -0.453196 ESP Fit Center 3449 is at -7.384735 -1.954316 -0.453196 ESP Fit Center 3450 is at -7.159000 -2.305566 -0.453196 ESP Fit Center 3451 is at -6.894697 -2.628794 -0.453196 ESP Fit Center 3452 is at -6.595272 -2.919788 -0.453196 ESP Fit Center 3453 is at -6.264628 -3.174753 -0.453196 ESP Fit Center 3454 is at -5.907075 -3.390365 -0.453196 ESP Fit Center 3455 is at -5.527275 -3.563814 -0.453196 ESP Fit Center 3456 is at -5.130179 -3.692838 -0.453196 ESP Fit Center 3457 is at -4.720963 -3.775756 -0.453196 ESP Fit Center 3458 is at -4.304963 -3.811487 -0.453196 ESP Fit Center 3459 is at -3.577534 3.377112 -0.860043 ESP Fit Center 3460 is at -3.991929 3.425548 -0.860043 ESP Fit Center 3461 is at -4.409146 3.425548 -0.860043 ESP Fit Center 3462 is at -4.823541 3.377112 -0.860043 ESP Fit Center 3463 is at -5.229511 3.280895 -0.860043 ESP Fit Center 3464 is at -5.621567 3.138199 -0.860043 ESP Fit Center 3465 is at -5.994405 2.950953 -0.860043 ESP Fit Center 3466 is at -6.342984 2.721688 -0.860043 ESP Fit Center 3467 is at -6.662590 2.453507 -0.860043 ESP Fit Center 3468 is at -6.948902 2.150035 -0.860043 ESP Fit Center 3469 is at -7.198046 1.815376 -0.860043 ESP Fit Center 3470 is at -7.406654 1.454056 -0.860043 ESP Fit Center 3471 is at -7.571905 1.070961 -0.860043 ESP Fit Center 3472 is at 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at -4.909706 -0.565555 -3.628901 ESP Fit Center 3743 is at -4.609976 -0.865285 -3.628901 ESP Fit Center 3744 is at -4.200537 -0.974994 -3.628901 ESP Fit Center 3745 is at -3.791099 -0.865285 -3.628901 ESP Fit Center 3746 is at -3.491369 -0.565555 -3.628901 ESP Fit Center 3747 is at -3.788508 -0.156117 -3.698027 ESP Fit Center 3748 is at -3.994523 0.200711 -3.698027 ESP Fit Center 3749 is at -4.406552 0.200711 -3.698027 ESP Fit Center 3750 is at -4.612567 -0.156117 -3.698027 ESP Fit Center 3751 is at -4.406552 -0.512945 -3.698027 ESP Fit Center 3752 is at -3.994523 -0.512945 -3.698027 ESP Fit Center 3753 is at -4.200537 -0.156117 -3.721166 ESP Fit Center 3754 is at 3.197342 2.977609 1.809818 ESP Fit Center 3755 is at 3.085734 3.394138 1.809818 ESP Fit Center 3756 is at 2.780814 3.699058 1.809818 ESP Fit Center 3757 is at 2.364286 3.810666 1.809818 ESP Fit Center 3758 is at 3.561386 2.977609 1.581074 ESP Fit Center 3759 is at 3.489192 3.387042 1.581074 ESP Fit Center 3760 is at 3.281318 3.747091 1.581074 ESP Fit Center 3761 is at 2.962836 4.014329 1.581074 ESP Fit Center 3762 is at 2.572160 4.156523 1.581074 ESP Fit Center 3763 is at 2.156411 4.156523 1.581074 ESP Fit Center 3764 is at 3.489192 2.568177 1.581074 ESP Fit Center 3765 is at 3.865402 2.977609 1.277058 ESP Fit Center 3766 is at 3.804596 3.400523 1.277058 ESP Fit Center 3767 is at 3.627105 3.789174 1.277058 ESP Fit Center 3768 is at 3.347308 4.112078 1.277058 ESP Fit Center 3769 is at 2.987872 4.343073 1.277058 ESP Fit Center 3770 is at 2.577917 4.463447 1.277058 ESP Fit Center 3771 is at 2.150654 4.463447 1.277058 ESP Fit Center 3772 is at 3.804596 2.554696 1.277058 ESP Fit Center 3773 is at 4.094146 2.977609 0.913015 ESP Fit Center 3774 is at 4.043879 3.391592 0.913015 ESP Fit Center 3775 is at 3.896001 3.781516 0.913015 ESP Fit Center 3776 is at 3.659105 4.124719 0.913015 ESP Fit Center 3777 is at 3.346958 4.401257 0.913015 ESP Fit Center 3778 is at 2.977702 4.595057 0.913015 ESP Fit Center 3779 is at 2.572797 4.694857 0.913015 ESP Fit Center 3780 is at 2.155774 4.694857 0.913015 ESP Fit Center 3781 is at 4.236147 2.977609 0.507198 ESP Fit Center 3782 is at 4.189216 3.394138 0.507198 ESP Fit Center 3783 is at 4.050775 3.789780 0.507198 ESP Fit Center 3784 is at 3.827766 4.144696 0.507198 ESP Fit Center 3785 is at 3.531372 4.441090 0.507198 ESP Fit Center 3786 is at 3.176456 4.664098 0.507198 ESP Fit Center 3787 is at 2.780814 4.802540 0.507198 ESP Fit Center 3788 is at 2.364286 4.849471 0.507198 ESP Fit Center 3789 is at 4.284286 2.977609 0.079958 ESP Fit Center 3790 is at 4.239397 3.390353 0.079958 ESP Fit Center 3791 is at 4.106830 3.783797 0.079958 ESP Fit Center 3792 is at 3.892784 4.139544 0.079958 ESP Fit Center 3793 is at 3.607267 4.440961 0.079958 ESP Fit Center 3794 is at 3.263630 4.673953 0.079958 ESP Fit Center 3795 is at 2.877940 4.827625 0.079958 ESP Fit Center 3796 is at 2.468232 4.894794 0.079958 ESP Fit Center 3797 is at 2.053664 4.872316 0.079958 ESP Fit Center 3798 is at 4.236147 2.977609 -0.347282 ESP Fit Center 3799 is at 4.189216 3.394138 -0.347282 ESP Fit Center 3800 is at 4.050775 3.789780 -0.347282 ESP Fit Center 3801 is at 3.827766 4.144696 -0.347282 ESP Fit Center 3802 is at 3.531372 4.441090 -0.347282 ESP Fit Center 3803 is at 3.176456 4.664098 -0.347282 ESP Fit Center 3804 is at 2.780814 4.802540 -0.347282 ESP Fit Center 3805 is at 2.364286 4.849471 -0.347282 ESP Fit Center 3806 is at 4.094146 2.977609 -0.753099 ESP Fit Center 3807 is at 4.043879 3.391592 -0.753099 ESP Fit Center 3808 is at 3.896001 3.781516 -0.753099 ESP Fit Center 3809 is at 3.659105 4.124719 -0.753099 ESP Fit Center 3810 is at 3.346958 4.401257 -0.753099 ESP Fit Center 3811 is at 2.977702 4.595057 -0.753099 ESP Fit Center 3812 is at 2.572797 4.694857 -0.753099 ESP Fit Center 3813 is at 2.155774 4.694857 -0.753099 ESP Fit Center 3814 is at 3.865402 2.977609 -1.117143 ESP Fit Center 3815 is at 3.804596 3.400523 -1.117143 ESP Fit Center 3816 is at 3.627105 3.789174 -1.117143 ESP Fit Center 3817 is at 3.347308 4.112078 -1.117143 ESP Fit Center 3818 is at 2.987872 4.343073 -1.117143 ESP Fit Center 3819 is at 2.577917 4.463447 -1.117143 ESP Fit Center 3820 is at 2.150654 4.463447 -1.117143 ESP Fit Center 3821 is at 3.561386 2.977609 -1.421159 ESP Fit Center 3822 is at 3.489192 3.387042 -1.421159 ESP Fit Center 3823 is at 3.281318 3.747091 -1.421159 ESP Fit Center 3824 is at 2.962836 4.014329 -1.421159 ESP Fit Center 3825 is at 2.572160 4.156523 -1.421159 ESP Fit Center 3826 is at 2.156411 4.156523 -1.421159 ESP Fit Center 3827 is at 3.085734 3.394138 -1.649902 ESP Fit Center 3828 is at 2.780814 3.699058 -1.649902 ESP Fit Center 3829 is at -2.294472 -2.113052 3.668231 ESP Fit Center 3830 is at -1.867232 -2.113052 3.620092 ESP Fit Center 3831 is at -2.080852 -1.743052 3.620092 ESP Fit Center 3832 is at -2.508092 -1.743052 3.620092 ESP Fit Center 3833 is at -2.721712 -2.113052 3.620092 ESP Fit Center 3834 is at -2.508092 -2.483053 3.620092 ESP Fit Center 3835 is at -2.080852 -2.483053 3.620092 ESP Fit Center 3836 is at -1.877944 -1.391604 3.478091 ESP Fit Center 3837 is at -2.294472 -1.279996 3.478091 ESP Fit Center 3838 is at -2.711001 -1.391604 3.478091 ESP Fit Center 3839 is at -3.015920 -1.696524 3.478091 ESP Fit Center 3840 is at -3.127529 -2.113052 3.478091 ESP Fit Center 3841 is at -3.015920 -2.529581 3.478091 ESP Fit Center 3842 is at -2.711001 -2.834501 3.478091 ESP Fit Center 3843 is at -2.294472 -2.946109 3.478091 ESP Fit Center 3844 is at -1.695922 -1.076333 3.249347 ESP Fit Center 3845 is at -2.086598 -0.934139 3.249347 ESP Fit Center 3846 is at -2.502346 -0.934139 3.249347 ESP Fit Center 3847 is at -3.419379 -1.703620 3.249347 ESP Fit Center 3848 is at -3.491573 -2.113052 3.249347 ESP Fit Center 3849 is at -3.419379 -2.522485 3.249347 ESP Fit Center 3850 is at -3.211504 -2.882534 3.249347 ESP Fit Center 3851 is at -2.893022 -3.149772 3.249347 ESP Fit Center 3852 is at -2.502346 -3.291966 3.249347 ESP Fit Center 3853 is at -1.670886 -0.747589 2.945331 ESP Fit Center 3854 is at -2.080841 -0.627215 2.945331 ESP Fit Center 3855 is at -3.734783 -2.535966 2.945331 ESP Fit Center 3856 is at -3.557292 -2.924617 2.945331 ESP Fit Center 3857 is at -3.277494 -3.247521 2.945331 ESP Fit Center 3858 is at -2.918058 -3.478516 2.945331 ESP Fit Center 3859 is at -3.826187 -2.916959 2.581288 ESP Fit Center 3860 is at -3.589291 -3.260162 2.581288 ESP Fit Center 3861 is at -3.277145 -3.536699 2.581288 ESP Fit Center 3862 is at -3.757952 -3.280139 2.175471 ESP Fit Center 3863 is at -3.461559 -3.576533 2.175471 ESP Fit Center 3864 is at -3.688383 -3.433435 1.748231 ESP Fit Center 3865 is at -3.530603 -3.771225 0.592280 ESP Fit Center 3866 is at -3.322728 -4.131274 0.592280 ESP Fit Center 3867 is at -3.004246 -4.398512 0.592280 ESP Fit Center 3868 is at -3.668516 -4.173358 0.288264 ESP Fit Center 3869 is at -3.388718 -4.496261 0.288264 ESP Fit Center 3870 is at -3.029283 -4.727256 0.288264 ESP Fit Center 3871 is at -2.619327 -4.847630 0.288264 ESP Fit Center 3872 is at -3.937411 -4.165699 -0.075779 ESP Fit Center 3873 is at -3.700515 -4.508902 -0.075779 ESP Fit Center 3874 is at -3.388369 -4.785440 -0.075779 ESP Fit Center 3875 is at -3.019113 -4.979240 -0.075779 ESP Fit Center 3876 is at -2.614208 -5.079041 -0.075779 ESP Fit Center 3877 is at -2.197185 -5.079041 -0.075779 ESP Fit Center 3878 is at -1.792279 -4.979240 -0.075779 ESP Fit Center 3879 is at -4.092185 -4.173963 -0.481596 ESP Fit Center 3880 is at -3.869177 -4.528880 -0.481596 ESP Fit Center 3881 is at -3.572783 -4.825273 -0.481596 ESP Fit Center 3882 is at -3.217867 -5.048282 -0.481596 ESP Fit Center 3883 is at -2.822225 -5.186723 -0.481596 ESP Fit Center 3884 is at -2.405696 -5.233654 -0.481596 ESP Fit Center 3885 is at -1.989168 -5.186723 -0.481596 ESP Fit Center 3886 is at -1.593526 -5.048282 -0.481596 ESP Fit Center 3887 is at -1.238610 -4.825273 -0.481596 ESP Fit Center 3888 is at -0.942216 -4.528880 -0.481596 ESP Fit Center 3889 is at -4.225190 -3.974852 -0.908836 ESP Fit Center 3890 is at -4.050862 -4.351656 -0.908836 ESP Fit Center 3891 is at -3.799608 -4.682176 -0.908836 ESP Fit Center 3892 is at -3.483175 -4.950956 -0.908836 ESP Fit Center 3893 is at -3.116361 -5.145428 -0.908836 ESP Fit Center 3894 is at -2.716318 -5.256500 -0.908836 ESP Fit Center 3895 is at -2.301750 -5.278977 -0.908836 ESP Fit Center 3896 is at -1.892042 -5.211809 -0.908836 ESP Fit Center 3897 is at -1.506352 -5.058136 -0.908836 ESP Fit Center 3898 is at -1.162715 -4.825144 -0.908836 ESP Fit Center 3899 is at -0.877198 -4.523727 -0.908836 ESP Fit Center 3900 is at -0.663151 -4.167980 -0.908836 ESP Fit Center 3901 is at -4.230626 -3.778321 -1.336076 ESP Fit Center 3902 is at -4.092185 -4.173963 -1.336076 ESP Fit Center 3903 is at -3.869177 -4.528880 -1.336076 ESP Fit Center 3904 is at -3.572783 -4.825273 -1.336076 ESP Fit Center 3905 is at -3.217867 -5.048282 -1.336076 ESP Fit Center 3906 is at -2.822225 -5.186723 -1.336076 ESP Fit Center 3907 is at -2.405696 -5.233654 -1.336076 ESP Fit Center 3908 is at -1.989168 -5.186723 -1.336076 ESP Fit Center 3909 is at -1.593526 -5.048282 -1.336076 ESP Fit Center 3910 is at -1.238610 -4.825273 -1.336076 ESP Fit Center 3911 is at -0.942216 -4.528880 -1.336076 ESP Fit Center 3912 is at -0.719207 -4.173963 -1.336076 ESP Fit Center 3913 is at -4.085290 -3.775776 -1.741893 ESP Fit Center 3914 is at -3.937411 -4.165699 -1.741893 ESP Fit Center 3915 is at -3.700515 -4.508902 -1.741893 ESP Fit Center 3916 is at -3.388369 -4.785440 -1.741893 ESP Fit Center 3917 is at -3.019113 -4.979240 -1.741893 ESP Fit Center 3918 is at -2.614208 -5.079041 -1.741893 ESP Fit Center 3919 is at -2.197185 -5.079041 -1.741893 ESP Fit Center 3920 is at -1.792279 -4.979240 -1.741893 ESP Fit Center 3921 is at -1.423024 -4.785440 -1.741893 ESP Fit Center 3922 is at -1.110877 -4.508902 -1.741893 ESP Fit Center 3923 is at -0.873981 -4.165699 -1.741893 ESP Fit Center 3924 is at -0.726103 -3.775776 -1.741893 ESP Fit Center 3925 is at -3.846007 -3.784706 -2.105937 ESP Fit Center 3926 is at -3.668516 -4.173358 -2.105937 ESP Fit Center 3927 is at -3.388718 -4.496261 -2.105937 ESP Fit Center 3928 is at -3.029283 -4.727256 -2.105937 ESP Fit Center 3929 is at -2.619327 -4.847630 -2.105937 ESP Fit Center 3930 is at -2.192065 -4.847630 -2.105937 ESP Fit Center 3931 is at -1.782110 -4.727256 -2.105937 ESP Fit Center 3932 is at -1.422674 -4.496261 -2.105937 ESP Fit Center 3933 is at -1.142877 -4.173358 -2.105937 ESP Fit Center 3934 is at -0.965386 -3.784706 -2.105937 ESP Fit Center 3935 is at -3.530603 -3.771225 -2.409953 ESP Fit Center 3936 is at -3.322728 -4.131274 -2.409953 ESP Fit Center 3937 is at -3.004246 -4.398512 -2.409953 ESP Fit Center 3938 is at -2.613571 -4.540707 -2.409953 ESP Fit Center 3939 is at -2.197822 -4.540707 -2.409953 ESP Fit Center 3940 is at -1.807146 -4.398512 -2.409953 ESP Fit Center 3941 is at -1.488664 -4.131274 -2.409953 ESP Fit Center 3942 is at -1.280790 -3.771225 -2.409953 ESP Fit Center 3943 is at -3.127145 -3.778321 -2.638696 ESP Fit Center 3944 is at -2.822225 -4.083241 -2.638696 ESP Fit Center 3945 is at -2.405696 -4.194850 -2.638696 ESP Fit Center 3946 is at -1.989168 -4.083241 -2.638696 ESP Fit Center 3947 is at -1.684248 -3.778321 -2.638696 ESP Fit Center 3948 is at -2.619316 -3.731794 -2.780698 ESP Fit Center 3949 is at -2.192076 -3.731794 -2.780698 ESP Fit Center 3950 is at 5.181956 -0.906444 2.342976 ESP Fit Center 3951 is at 5.598712 -0.906444 2.306514 ESP Fit Center 3952 is at 5.390334 -0.545524 2.306514 ESP Fit Center 3953 is at 4.973578 -0.545524 2.306514 ESP Fit Center 3954 is at 4.765200 -0.906444 2.306514 ESP Fit Center 3955 is at 4.973578 -1.267365 2.306514 ESP Fit Center 3956 is at 5.390334 -1.267365 2.306514 ESP Fit Center 3957 is at 6.002804 -0.906444 2.198238 ESP Fit Center 3958 is at 4.771532 -0.195569 2.198238 ESP Fit Center 3959 is at 4.471080 -1.316869 2.198238 ESP Fit Center 3960 is at 5.892832 -1.316869 2.198238 ESP Fit Center 3961 is at 6.002804 -0.906444 -2.312287 ESP Fit Center 3962 is at 4.771532 -0.195569 -2.312287 ESP Fit Center 3963 is at 4.471080 -1.316869 -2.312287 ESP Fit Center 3964 is at 5.892832 -1.316869 -2.312287 ESP Fit Center 3965 is at 5.598712 -0.906444 -2.420563 ESP Fit Center 3966 is at 5.390334 -0.545524 -2.420563 ESP Fit Center 3967 is at 4.973578 -0.545524 -2.420563 ESP Fit Center 3968 is at 4.765200 -0.906444 -2.420563 ESP Fit Center 3969 is at 4.973578 -1.267365 -2.420563 ESP Fit Center 3970 is at 5.390334 -1.267365 -2.420563 ESP Fit Center 3971 is at 5.181956 -0.906444 -2.457024 ESP Fit Center 3972 is at 2.283268 -1.432932 1.676009 ESP Fit Center 3973 is at 2.394876 -1.849461 1.676009 ESP Fit Center 3974 is at 2.699796 -2.154381 1.676009 ESP Fit Center 3975 is at 3.116325 -2.265989 1.676009 ESP Fit Center 3976 is at 1.991418 -1.842365 1.447265 ESP Fit Center 3977 is at 2.199293 -2.202414 1.447265 ESP Fit Center 3978 is at 2.517775 -2.469652 1.447265 ESP Fit Center 3979 is at 2.908450 -2.611846 1.447265 ESP Fit Center 3980 is at 3.324199 -2.611846 1.447265 ESP Fit Center 3981 is at 1.853505 -2.244497 1.143249 ESP Fit Center 3982 is at 2.133303 -2.567400 1.143249 ESP Fit Center 3983 is at 2.492738 -2.798396 1.143249 ESP Fit Center 3984 is at 2.902694 -2.918769 1.143249 ESP Fit Center 3985 is at 3.329956 -2.918769 1.143249 ESP Fit Center 3986 is at 1.821506 -2.580042 0.779205 ESP Fit Center 3987 is at 2.133652 -2.856579 0.779205 ESP Fit Center 3988 is at 2.502908 -3.050380 0.779205 ESP Fit Center 3989 is at 2.907813 -3.150180 0.779205 ESP Fit Center 3990 is at 3.324836 -3.150180 0.779205 ESP Fit Center 3991 is at 1.652844 -2.600019 0.373389 ESP Fit Center 3992 is at 1.949238 -2.896413 0.373389 ESP Fit Center 3993 is at 2.304154 -3.119421 0.373389 ESP Fit Center 3994 is at 2.699796 -3.257862 0.373389 ESP Fit Center 3995 is at 3.116325 -3.304794 0.373389 ESP Fit Center 3996 is at 1.722413 -2.753315 -0.053851 ESP Fit Center 3997 is at 2.038846 -3.022095 -0.053851 ESP Fit Center 3998 is at 2.405659 -3.216568 -0.053851 ESP Fit Center 3999 is at 2.805703 -3.327639 -0.053851 ESP Fit Center 4000 is at 3.220271 -3.350116 -0.053851 ESP Fit Center 4001 is at 1.652844 -2.600019 -0.481092 ESP Fit Center 4002 is at 1.949238 -2.896413 -0.481092 ESP Fit Center 4003 is at 2.304154 -3.119421 -0.481092 ESP Fit Center 4004 is at 2.699796 -3.257862 -0.481092 ESP Fit Center 4005 is at 3.116325 -3.304794 -0.481092 ESP Fit Center 4006 is at 1.821506 -2.580042 -0.886908 ESP Fit Center 4007 is at 2.133652 -2.856579 -0.886908 ESP Fit Center 4008 is at 2.502908 -3.050380 -0.886908 ESP Fit Center 4009 is at 2.907813 -3.150180 -0.886908 ESP Fit Center 4010 is at 3.324836 -3.150180 -0.886908 ESP Fit Center 4011 is at 1.853505 -2.244497 -1.250952 ESP Fit Center 4012 is at 2.133303 -2.567400 -1.250952 ESP Fit Center 4013 is at 2.492738 -2.798396 -1.250952 ESP Fit Center 4014 is at 2.902694 -2.918769 -1.250952 ESP Fit Center 4015 is at 3.329956 -2.918769 -1.250952 ESP Fit Center 4016 is at 1.991418 -1.842365 -1.554968 ESP Fit Center 4017 is at 2.199293 -2.202414 -1.554968 ESP Fit Center 4018 is at 2.517775 -2.469652 -1.554968 ESP Fit Center 4019 is at 2.908450 -2.611846 -1.554968 ESP Fit Center 4020 is at 3.324199 -2.611846 -1.554968 ESP Fit Center 4021 is at 2.283268 -1.432932 -1.783712 ESP Fit Center 4022 is at 2.394876 -1.849461 -1.783712 ESP Fit Center 4023 is at 2.699796 -2.154381 -1.783712 ESP Fit Center 4024 is at 3.116325 -2.265989 -1.783712 ESP Fit Center 4025 is at 6.119315 -0.644687 2.196089 ESP Fit Center 4026 is at 6.529739 -0.534714 2.196089 ESP Fit Center 4027 is at 6.719315 -0.863069 2.019287 ESP Fit Center 4028 is at 7.038569 -0.595184 2.019287 ESP Fit Center 4029 is at 7.246946 -0.234263 2.019287 ESP Fit Center 4030 is at 7.662006 0.176161 1.779333 ESP Fit Center 4031 is at 6.829053 -1.193571 1.779333 ESP Fit Center 4032 is at 7.172283 -0.951292 1.779333 ESP Fit Center 4033 is at 7.437420 -0.625396 1.779333 ESP Fit Center 4034 is at 7.762265 1.001282 1.483517 ESP Fit Center 4035 is at 8.029333 0.995814 1.140826 ESP Fit Center 4036 is at 7.825240 1.363520 1.140826 ESP Fit Center 4037 is at 8.016563 1.395448 0.761675 ESP Fit Center 4038 is at 7.751525 1.732470 0.761675 ESP Fit Center 4039 is at 8.148292 1.388418 0.357582 ESP Fit Center 4040 is at 7.899229 1.731225 0.357582 ESP Fit Center 4041 is at 7.592957 2.024050 0.357582 ESP Fit Center 4042 is at 7.239322 2.257483 0.357582 ESP Fit Center 4043 is at 6.849689 2.424020 0.357582 ESP Fit Center 4044 is at 7.957822 1.718851 -0.059174 ESP Fit Center 4045 is at 7.662006 2.014668 -0.059174 ESP Fit Center 4046 is at 7.319315 2.254622 -0.059174 ESP Fit Center 4047 is at 6.940164 2.431424 -0.059174 ESP Fit Center 4048 is at 6.536071 2.539700 -0.059174 ESP Fit Center 4049 is at 6.119315 2.576161 -0.059174 ESP Fit Center 4050 is at 5.702560 2.539700 -0.059174 ESP Fit Center 4051 is at 5.298467 2.431424 -0.059174 ESP Fit Center 4052 is at 8.148292 1.388418 -0.475929 ESP Fit Center 4053 is at 7.899229 1.731225 -0.475929 ESP Fit Center 4054 is at 7.592957 2.024050 -0.475929 ESP Fit Center 4055 is at 7.239322 2.257483 -0.475929 ESP Fit Center 4056 is at 8.016563 1.395448 -0.880022 ESP Fit Center 4057 is at 7.751525 1.732470 -0.880022 ESP Fit Center 4058 is at 7.427496 2.013244 -0.880022 ESP Fit Center 4059 is at 7.825240 1.363520 -1.259174 ESP Fit Center 4060 is at 7.762265 1.001282 -1.601864 ESP Fit Center 4061 is at 7.662006 0.176161 -1.897680 ESP Fit Center 4062 is at 7.604798 0.592374 -1.897680 ESP Fit Center 4063 is at 6.829053 -1.193571 -1.897680 ESP Fit Center 4064 is at 7.172283 -0.951292 -1.897680 ESP Fit Center 4065 is at 7.319315 0.176161 -2.137635 ESP Fit Center 4066 is at 6.719315 -0.863069 -2.137635 ESP Fit Center 4067 is at 7.038569 -0.595184 -2.137635 ESP Fit Center 4068 is at 7.246946 -0.234263 -2.137635 ESP Fit Center 4069 is at 6.119315 -0.644687 -2.314436 ESP Fit Center 4070 is at 6.529739 -0.534714 -2.314436 ESP Fit Center 4071 is at 6.830191 -0.234263 -2.314436 ESP Fit Center 4072 is at 6.467238 -2.259011 2.191789 ESP Fit Center 4073 is at 6.357266 -1.848587 2.191789 ESP Fit Center 4074 is at 6.056814 -1.548136 2.191789 ESP Fit Center 4075 is at 6.846390 -2.259011 2.014988 ESP Fit Center 4076 is at 6.774021 -1.848587 2.014988 ESP Fit Center 4077 is at 6.565643 -1.487666 2.014988 ESP Fit Center 4078 is at 6.774021 -2.669435 2.014988 ESP Fit Center 4079 is at 6.964494 -1.457454 1.775034 ESP Fit Center 4080 is at 6.964494 -3.060568 1.775034 ESP Fit Center 4081 is at 7.054768 -3.440780 1.479217 ESP Fit Center 4082 is at 6.745821 -4.022885 1.136527 ESP Fit Center 4083 is at 7.078381 -3.765465 1.136527 ESP Fit Center 4084 is at 6.583260 -4.310470 0.757375 ESP Fit Center 4085 is at 6.954570 -4.096094 0.757375 ESP Fit Center 4086 is at 5.963655 -4.601159 0.353283 ESP Fit Center 4087 is at 6.376764 -4.506870 0.353283 ESP Fit Center 4088 is at 6.766397 -4.340333 0.353283 ESP Fit Center 4089 is at 3.567929 -3.459011 -0.063473 ESP Fit Center 4090 is at 3.807883 -3.801701 -0.063473 ESP Fit Center 4091 is at 4.103700 -4.097518 -0.063473 ESP Fit Center 4092 is at 4.446390 -4.337472 -0.063473 ESP Fit Center 4093 is at 4.825542 -4.514273 -0.063473 ESP Fit Center 4094 is at 5.229634 -4.622550 -0.063473 ESP Fit Center 4095 is at 5.646390 -4.659011 -0.063473 ESP Fit Center 4096 is at 6.063146 -4.622550 -0.063473 ESP Fit Center 4097 is at 6.467238 -4.514273 -0.063473 ESP Fit Center 4098 is at 6.846390 -4.337472 -0.063473 ESP Fit Center 4099 is at 5.540350 -4.620170 -0.480229 ESP Fit Center 4100 is at 5.963655 -4.601159 -0.480229 ESP Fit Center 4101 is at 6.376764 -4.506870 -0.480229 ESP Fit Center 4102 is at 6.766397 -4.340333 -0.480229 ESP Fit Center 4103 is at 6.583260 -4.310470 -0.884321 ESP Fit Center 4104 is at 6.954570 -4.096094 -0.884321 ESP Fit Center 4105 is at 6.745821 -4.022885 -1.263473 ESP Fit Center 4106 is at 7.078381 -3.765465 -1.263473 ESP Fit Center 4107 is at 7.054768 -3.440780 -1.606163 ESP Fit Center 4108 is at 7.131873 -1.842798 -1.901980 ESP Fit Center 4109 is at 6.964494 -1.457454 -1.901980 ESP Fit Center 4110 is at 6.964494 -3.060568 -1.901980 ESP Fit Center 4111 is at 7.131873 -2.675224 -1.901980 ESP Fit Center 4112 is at 6.846390 -2.259011 -2.141934 ESP Fit Center 4113 is at 6.774021 -1.848587 -2.141934 ESP Fit Center 4114 is at 6.565643 -1.487666 -2.141934 ESP Fit Center 4115 is at 6.357266 -1.848587 -2.318735 ESP Fit Center 4116 is at 6.056814 -1.548136 -2.318735 ESP Fit Center 4117 is at 7.982975 -0.207131 1.655520 ESP Fit Center 4118 is at 7.871367 0.209398 1.655520 ESP Fit Center 4119 is at 7.566447 -0.928579 1.655520 ESP Fit Center 4120 is at 7.871367 -0.623659 1.655520 ESP Fit Center 4121 is at 8.347019 -0.207131 1.426776 ESP Fit Center 4122 is at 8.274825 0.202302 1.426776 ESP Fit Center 4123 is at 8.066951 0.562351 1.426776 ESP Fit Center 4124 is at 7.748469 -1.243850 1.426776 ESP Fit Center 4125 is at 8.066951 -0.976612 1.426776 ESP Fit Center 4126 is at 8.274825 -0.616563 1.426776 ESP Fit Center 4127 is at 8.651035 -0.207131 1.122760 ESP Fit Center 4128 is at 8.590229 0.215783 1.122760 ESP Fit Center 4129 is at 8.412738 0.604434 1.122760 ESP Fit Center 4130 is at 8.132941 0.927337 1.122760 ESP Fit Center 4131 is at 8.132941 -1.341599 1.122760 ESP Fit Center 4132 is at 8.412738 -1.018696 1.122760 ESP Fit Center 4133 is at 8.590229 -0.630044 1.122760 ESP Fit Center 4134 is at 8.879779 -0.207131 0.758716 ESP Fit Center 4135 is at 8.829512 0.206852 0.758716 ESP Fit Center 4136 is at 8.681634 0.596775 0.758716 ESP Fit Center 4137 is at 8.444738 0.939979 0.758716 ESP Fit Center 4138 is at 8.132591 1.216516 0.758716 ESP Fit Center 4139 is at 8.444738 -1.354240 0.758716 ESP Fit Center 4140 is at 8.681634 -1.011037 0.758716 ESP Fit Center 4141 is at 8.829512 -0.621113 0.758716 ESP Fit Center 4142 is at 9.021780 -0.207131 0.352900 ESP Fit Center 4143 is at 8.974849 0.209398 0.352900 ESP Fit Center 4144 is at 8.836408 0.605039 0.352900 ESP Fit Center 4145 is at 8.613399 0.959956 0.352900 ESP Fit Center 4146 is at 8.317005 1.256350 0.352900 ESP Fit Center 4147 is at 8.613399 -1.374217 0.352900 ESP Fit Center 4148 is at 8.836408 -1.019301 0.352900 ESP Fit Center 4149 is at 8.974849 -0.623659 0.352900 ESP Fit Center 4150 is at 9.069919 -0.207131 -0.074340 ESP Fit Center 4151 is at 9.025030 0.205612 -0.074340 ESP Fit Center 4152 is at 8.892463 0.599056 -0.074340 ESP Fit Center 4153 is at 8.678417 0.954804 -0.074340 ESP Fit Center 4154 is at 8.392900 1.256220 -0.074340 ESP Fit Center 4155 is at 8.678417 -1.369065 -0.074340 ESP Fit Center 4156 is at 8.892463 -1.013318 -0.074340 ESP Fit Center 4157 is at 9.025030 -0.619874 -0.074340 ESP Fit Center 4158 is at 9.021780 -0.207131 -0.501581 ESP Fit Center 4159 is at 8.974849 0.209398 -0.501581 ESP Fit Center 4160 is at 8.836408 0.605039 -0.501581 ESP Fit Center 4161 is at 8.613399 0.959956 -0.501581 ESP Fit Center 4162 is at 8.317005 1.256350 -0.501581 ESP Fit Center 4163 is at 8.613399 -1.374217 -0.501581 ESP Fit Center 4164 is at 8.836408 -1.019301 -0.501581 ESP Fit Center 4165 is at 8.974849 -0.623659 -0.501581 ESP Fit Center 4166 is at 8.879779 -0.207131 -0.907397 ESP Fit Center 4167 is at 8.829512 0.206852 -0.907397 ESP Fit Center 4168 is at 8.681634 0.596775 -0.907397 ESP Fit Center 4169 is at 8.444738 0.939979 -0.907397 ESP Fit Center 4170 is at 8.132591 1.216516 -0.907397 ESP Fit Center 4171 is at 8.444738 -1.354240 -0.907397 ESP Fit Center 4172 is at 8.681634 -1.011037 -0.907397 ESP Fit Center 4173 is at 8.829512 -0.621113 -0.907397 ESP Fit Center 4174 is at 8.651035 -0.207131 -1.271441 ESP Fit Center 4175 is at 8.590229 0.215783 -1.271441 ESP Fit Center 4176 is at 8.412738 0.604434 -1.271441 ESP Fit Center 4177 is at 8.132941 0.927337 -1.271441 ESP Fit Center 4178 is at 8.132941 -1.341599 -1.271441 ESP Fit Center 4179 is at 8.412738 -1.018696 -1.271441 ESP Fit Center 4180 is at 8.590229 -0.630044 -1.271441 ESP Fit Center 4181 is at 8.347019 -0.207131 -1.575457 ESP Fit Center 4182 is at 8.274825 0.202302 -1.575457 ESP Fit Center 4183 is at 8.066951 0.562351 -1.575457 ESP Fit Center 4184 is at 7.748469 -1.243850 -1.575457 ESP Fit Center 4185 is at 8.066951 -0.976612 -1.575457 ESP Fit Center 4186 is at 8.274825 -0.616563 -1.575457 ESP Fit Center 4187 is at 7.982975 -0.207131 -1.804201 ESP Fit Center 4188 is at 7.871367 0.209398 -1.804201 ESP Fit Center 4189 is at 7.566447 -0.928579 -1.804201 ESP Fit Center 4190 is at 7.871367 -0.623659 -1.804201 ESP Fit Center 4191 is at 7.577159 -0.207131 -1.946202 ESP Fit Center 4192 is at 5.953732 0.792181 2.755988 ESP Fit Center 4193 is at 6.380972 0.792181 2.707850 ESP Fit Center 4194 is at 6.167352 1.162182 2.707850 ESP Fit Center 4195 is at 5.740112 1.162182 2.707850 ESP Fit Center 4196 is at 5.526491 0.792181 2.707850 ESP Fit Center 4197 is at 5.740112 0.422180 2.707850 ESP Fit Center 4198 is at 6.167352 0.422180 2.707850 ESP Fit Center 4199 is at 6.786788 0.792181 2.565848 ESP Fit Center 4200 is at 6.675180 1.208709 2.565848 ESP Fit Center 4201 is at 6.370260 1.513629 2.565848 ESP Fit Center 4202 is at 5.953732 1.625238 2.565848 ESP Fit Center 4203 is at 5.537203 1.513629 2.565848 ESP Fit Center 4204 is at 5.232283 1.208709 2.565848 ESP Fit Center 4205 is at 5.120675 0.792181 2.565848 ESP Fit Center 4206 is at 5.232283 0.375653 2.565848 ESP Fit Center 4207 is at 5.537203 0.070733 2.565848 ESP Fit Center 4208 is at 5.953732 -0.040876 2.565848 ESP Fit Center 4209 is at 6.370260 0.070733 2.565848 ESP Fit Center 4210 is at 6.675180 0.375653 2.565848 ESP Fit Center 4211 is at 7.150832 0.792181 2.337105 ESP Fit Center 4212 is at 7.078638 1.201613 2.337105 ESP Fit Center 4213 is at 6.870764 1.561662 2.337105 ESP Fit Center 4214 is at 6.552282 1.828900 2.337105 ESP Fit Center 4215 is at 6.161606 1.971095 2.337105 ESP Fit Center 4216 is at 5.745857 1.971095 2.337105 ESP Fit Center 4217 is at 5.355181 1.828900 2.337105 ESP Fit Center 4218 is at 5.036700 1.561662 2.337105 ESP Fit Center 4219 is at 4.828825 1.201613 2.337105 ESP Fit Center 4220 is at 4.756631 0.792181 2.337105 ESP Fit Center 4221 is at 4.828825 0.382749 2.337105 ESP Fit Center 4222 is at 5.036700 0.022700 2.337105 ESP Fit Center 4223 is at 5.355181 -0.244538 2.337105 ESP Fit Center 4224 is at 5.745857 -0.386733 2.337105 ESP Fit Center 4225 is at 6.161606 -0.386733 2.337105 ESP Fit Center 4226 is at 6.552282 -0.244538 2.337105 ESP Fit Center 4227 is at 6.870764 0.022700 2.337105 ESP Fit Center 4228 is at 7.078638 0.382749 2.337105 ESP Fit Center 4229 is at 7.454848 0.792181 2.033089 ESP Fit Center 4230 is at 7.394042 1.215094 2.033089 ESP Fit Center 4231 is at 7.216551 1.603746 2.033089 ESP Fit Center 4232 is at 6.936754 1.926649 2.033089 ESP Fit Center 4233 is at 6.577318 2.157645 2.033089 ESP Fit Center 4234 is at 6.167363 2.278018 2.033089 ESP Fit Center 4235 is at 5.740101 2.278018 2.033089 ESP Fit Center 4236 is at 5.330145 2.157645 2.033089 ESP Fit Center 4237 is at 4.970709 1.926649 2.033089 ESP Fit Center 4238 is at 4.690912 1.603746 2.033089 ESP Fit Center 4239 is at 4.513421 1.215094 2.033089 ESP Fit Center 4240 is at 7.394042 0.369268 2.033089 ESP Fit Center 4241 is at 7.683592 0.792181 1.669045 ESP Fit Center 4242 is at 7.633325 1.206164 1.669045 ESP Fit Center 4243 is at 7.485447 1.596087 1.669045 ESP Fit Center 4244 is at 7.248551 1.939290 1.669045 ESP Fit Center 4245 is at 6.936404 2.215828 1.669045 ESP Fit Center 4246 is at 6.567149 2.409628 1.669045 ESP Fit Center 4247 is at 6.162243 2.509429 1.669045 ESP Fit Center 4248 is at 5.745220 2.509429 1.669045 ESP Fit Center 4249 is at 5.340315 2.409628 1.669045 ESP Fit Center 4250 is at 4.971059 2.215828 1.669045 ESP Fit Center 4251 is at 4.658913 1.939290 1.669045 ESP Fit Center 4252 is at 7.640221 1.604351 1.263228 ESP Fit Center 4253 is at 7.417212 1.959268 1.263228 ESP Fit Center 4254 is at 7.120818 2.255661 1.263228 ESP Fit Center 4255 is at 6.765902 2.478670 1.263228 ESP Fit Center 4256 is at 6.370260 2.617111 1.263228 ESP Fit Center 4257 is at 5.953732 2.664043 1.263228 ESP Fit Center 4258 is at 5.537203 2.617111 1.263228 ESP Fit Center 4259 is at 5.141561 2.478670 1.263228 ESP Fit Center 4260 is at 4.786645 2.255661 1.263228 ESP Fit Center 4261 is at 7.482230 1.954115 0.835988 ESP Fit Center 4262 is at 7.196713 2.255532 0.835988 ESP Fit Center 4263 is at 6.853076 2.488524 0.835988 ESP Fit Center 4264 is at 6.467386 2.642197 0.835988 ESP Fit Center 4265 is at 6.057678 2.709365 0.835988 ESP Fit Center 4266 is at 5.643110 2.686888 0.835988 ESP Fit Center 4267 is at 5.243066 2.575816 0.835988 ESP Fit Center 4268 is at 4.876252 2.381344 0.835988 ESP Fit Center 4269 is at 6.765902 2.478670 0.408748 ESP Fit Center 4270 is at 6.370260 2.617111 0.408748 ESP Fit Center 4271 is at 5.953732 2.664043 0.408748 ESP Fit Center 4272 is at 5.537203 2.617111 0.408748 ESP Fit Center 4273 is at 5.141561 2.478670 0.408748 ESP Fit Center 4274 is at 6.744114 2.496407 -0.510656 ESP Fit Center 4275 is at 6.348472 2.634848 -0.510656 ESP Fit Center 4276 is at 5.931943 2.681780 -0.510656 ESP Fit Center 4277 is at 5.515415 2.634848 -0.510656 ESP Fit Center 4278 is at 5.119773 2.496407 -0.510656 ESP Fit Center 4279 is at 7.460442 1.971853 -0.937896 ESP Fit Center 4280 is at 7.174925 2.273269 -0.937896 ESP Fit Center 4281 is at 6.831287 2.506261 -0.937896 ESP Fit Center 4282 is at 6.445598 2.659934 -0.937896 ESP Fit Center 4283 is at 6.035890 2.727102 -0.937896 ESP Fit Center 4284 is at 5.621322 2.704625 -0.937896 ESP Fit Center 4285 is at 5.221278 2.593554 -0.937896 ESP Fit Center 4286 is at 4.854464 2.399081 -0.937896 ESP Fit Center 4287 is at 7.618432 1.622089 -1.365136 ESP Fit Center 4288 is at 7.395424 1.977005 -1.365136 ESP Fit Center 4289 is at 7.099030 2.273399 -1.365136 ESP Fit Center 4290 is at 6.744114 2.496407 -1.365136 ESP Fit Center 4291 is at 6.348472 2.634848 -1.365136 ESP Fit Center 4292 is at 5.931943 2.681780 -1.365136 ESP Fit Center 4293 is at 5.515415 2.634848 -1.365136 ESP Fit Center 4294 is at 5.119773 2.496407 -1.365136 ESP Fit Center 4295 is at 4.764857 2.273399 -1.365136 ESP Fit Center 4296 is at 7.611537 1.223901 -1.770953 ESP Fit Center 4297 is at 7.463658 1.613824 -1.770953 ESP Fit Center 4298 is at 7.226762 1.957028 -1.770953 ESP Fit Center 4299 is at 6.914616 2.233565 -1.770953 ESP Fit Center 4300 is at 6.545360 2.427366 -1.770953 ESP Fit Center 4301 is at 6.140455 2.527166 -1.770953 ESP Fit Center 4302 is at 5.723432 2.527166 -1.770953 ESP Fit Center 4303 is at 5.318526 2.427366 -1.770953 ESP Fit Center 4304 is at 4.949271 2.233565 -1.770953 ESP Fit Center 4305 is at 4.637124 1.957028 -1.770953 ESP Fit Center 4306 is at 7.433060 0.809918 -2.134996 ESP Fit Center 4307 is at 7.372254 1.232832 -2.134996 ESP Fit Center 4308 is at 7.194763 1.621483 -2.134996 ESP Fit Center 4309 is at 6.914965 1.944386 -2.134996 ESP Fit Center 4310 is at 6.555530 2.175382 -2.134996 ESP Fit Center 4311 is at 6.145574 2.295756 -2.134996 ESP Fit Center 4312 is at 5.718312 2.295756 -2.134996 ESP Fit Center 4313 is at 5.308357 2.175382 -2.134996 ESP Fit Center 4314 is at 4.948921 1.944386 -2.134996 ESP Fit Center 4315 is at 4.669124 1.621483 -2.134996 ESP Fit Center 4316 is at 4.491633 1.232832 -2.134996 ESP Fit Center 4317 is at 7.372254 0.387005 -2.134996 ESP Fit Center 4318 is at 7.129044 0.809918 -2.439012 ESP Fit Center 4319 is at 7.056850 1.219351 -2.439012 ESP Fit Center 4320 is at 6.848975 1.579400 -2.439012 ESP Fit Center 4321 is at 6.530493 1.846638 -2.439012 ESP Fit Center 4322 is at 6.139818 1.988832 -2.439012 ESP Fit Center 4323 is at 5.724069 1.988832 -2.439012 ESP Fit Center 4324 is at 5.333393 1.846638 -2.439012 ESP Fit Center 4325 is at 5.014911 1.579400 -2.439012 ESP Fit Center 4326 is at 4.807037 1.219351 -2.439012 ESP Fit Center 4327 is at 4.734843 0.809918 -2.439012 ESP Fit Center 4328 is at 4.807037 0.400486 -2.439012 ESP Fit Center 4329 is at 5.014911 0.040437 -2.439012 ESP Fit Center 4330 is at 5.333393 -0.226801 -2.439012 ESP Fit Center 4331 is at 5.724069 -0.368995 -2.439012 ESP Fit Center 4332 is at 6.139818 -0.368995 -2.439012 ESP Fit Center 4333 is at 6.530493 -0.226801 -2.439012 ESP Fit Center 4334 is at 6.848975 0.040437 -2.439012 ESP Fit Center 4335 is at 7.056850 0.400486 -2.439012 ESP Fit Center 4336 is at 6.765000 0.809918 -2.667756 ESP Fit Center 4337 is at 6.653392 1.226447 -2.667756 ESP Fit Center 4338 is at 6.348472 1.531367 -2.667756 ESP Fit Center 4339 is at 5.931943 1.642975 -2.667756 ESP Fit Center 4340 is at 5.515415 1.531367 -2.667756 ESP Fit Center 4341 is at 5.210495 1.226447 -2.667756 ESP Fit Center 4342 is at 5.098886 0.809918 -2.667756 ESP Fit Center 4343 is at 5.210495 0.393390 -2.667756 ESP Fit Center 4344 is at 5.515415 0.088470 -2.667756 ESP Fit Center 4345 is at 5.931943 -0.023138 -2.667756 ESP Fit Center 4346 is at 6.348472 0.088470 -2.667756 ESP Fit Center 4347 is at 6.653392 0.393390 -2.667756 ESP Fit Center 4348 is at 6.359183 0.809918 -2.809758 ESP Fit Center 4349 is at 6.145563 1.179919 -2.809758 ESP Fit Center 4350 is at 5.718323 1.179919 -2.809758 ESP Fit Center 4351 is at 5.504703 0.809918 -2.809758 ESP Fit Center 4352 is at 5.718323 0.439917 -2.809758 ESP Fit Center 4353 is at 6.145563 0.439917 -2.809758 ESP Fit Center 4354 is at 5.931943 0.809918 -2.857896 ESP Fit Center 4355 is at 7.173434 -2.286462 1.823899 ESP Fit Center 4356 is at 7.579251 -2.286462 1.681898 ESP Fit Center 4357 is at 7.467642 -1.869933 1.681898 ESP Fit Center 4358 is at 7.162722 -1.565013 1.681898 ESP Fit Center 4359 is at 7.162722 -3.007910 1.681898 ESP Fit Center 4360 is at 7.467642 -2.702990 1.681898 ESP Fit Center 4361 is at 7.943294 -2.286462 1.453154 ESP Fit Center 4362 is at 7.871100 -1.877029 1.453154 ESP Fit Center 4363 is at 7.663226 -1.516980 1.453154 ESP Fit Center 4364 is at 7.344744 -3.323181 1.453154 ESP Fit Center 4365 is at 7.663226 -3.055943 1.453154 ESP Fit Center 4366 is at 7.871100 -2.695894 1.453154 ESP Fit Center 4367 is at 8.247310 -2.286462 1.149138 ESP Fit Center 4368 is at 8.186505 -1.863548 1.149138 ESP Fit Center 4369 is at 8.009014 -1.474897 1.149138 ESP Fit Center 4370 is at 7.369780 -3.651925 1.149138 ESP Fit Center 4371 is at 7.729216 -3.420930 1.149138 ESP Fit Center 4372 is at 8.009014 -3.098026 1.149138 ESP Fit Center 4373 is at 8.186505 -2.709375 1.149138 ESP Fit Center 4374 is at 8.476054 -2.286462 0.785095 ESP Fit Center 4375 is at 8.425788 -1.872479 0.785095 ESP Fit Center 4376 is at 7.359611 -3.903909 0.785095 ESP Fit Center 4377 is at 7.728867 -3.710109 0.785095 ESP Fit Center 4378 is at 8.041013 -3.433571 0.785095 ESP Fit Center 4379 is at 8.277909 -3.090368 0.785095 ESP Fit Center 4380 is at 8.425788 -2.700444 0.785095 ESP Fit Center 4381 is at 8.618056 -2.286462 0.379278 ESP Fit Center 4382 is at 8.571124 -1.869933 0.379278 ESP Fit Center 4383 is at 7.162722 -4.111392 0.379278 ESP Fit Center 4384 is at 7.558364 -3.972951 0.379278 ESP Fit Center 4385 is at 7.913281 -3.749942 0.379278 ESP Fit Center 4386 is at 8.209674 -3.453548 0.379278 ESP Fit Center 4387 is at 8.432683 -3.098632 0.379278 ESP Fit Center 4388 is at 8.571124 -2.702990 0.379278 ESP Fit Center 4389 is at 8.666194 -2.286462 -0.047962 ESP Fit Center 4390 is at 8.621305 -1.873718 -0.047962 ESP Fit Center 4391 is at 7.259848 -4.136478 -0.047962 ESP Fit Center 4392 is at 7.645538 -3.982805 -0.047962 ESP Fit Center 4393 is at 7.989176 -3.749813 -0.047962 ESP Fit Center 4394 is at 8.274693 -3.448396 -0.047962 ESP Fit Center 4395 is at 8.488739 -3.092649 -0.047962 ESP Fit Center 4396 is at 8.621305 -2.699205 -0.047962 ESP Fit Center 4397 is at 8.618056 -2.286462 -0.475202 ESP Fit Center 4398 is at 8.571124 -1.869933 -0.475202 ESP Fit Center 4399 is at 7.162722 -4.111392 -0.475202 ESP Fit Center 4400 is at 7.558364 -3.972951 -0.475202 ESP Fit Center 4401 is at 7.913281 -3.749942 -0.475202 ESP Fit Center 4402 is at 8.209674 -3.453548 -0.475202 ESP Fit Center 4403 is at 8.432683 -3.098632 -0.475202 ESP Fit Center 4404 is at 8.571124 -2.702990 -0.475202 ESP Fit Center 4405 is at 8.476054 -2.286462 -0.881019 ESP Fit Center 4406 is at 8.425788 -1.872479 -0.881019 ESP Fit Center 4407 is at 7.359611 -3.903909 -0.881019 ESP Fit Center 4408 is at 7.728867 -3.710109 -0.881019 ESP Fit Center 4409 is at 8.041013 -3.433571 -0.881019 ESP Fit Center 4410 is at 8.277909 -3.090368 -0.881019 ESP Fit Center 4411 is at 8.425788 -2.700444 -0.881019 ESP Fit Center 4412 is at 8.247310 -2.286462 -1.245063 ESP Fit Center 4413 is at 8.186505 -1.863548 -1.245063 ESP Fit Center 4414 is at 8.009014 -1.474897 -1.245063 ESP Fit Center 4415 is at 7.369780 -3.651925 -1.245063 ESP Fit Center 4416 is at 7.729216 -3.420930 -1.245063 ESP Fit Center 4417 is at 8.009014 -3.098026 -1.245063 ESP Fit Center 4418 is at 8.186505 -2.709375 -1.245063 ESP Fit Center 4419 is at 7.943294 -2.286462 -1.549079 ESP Fit Center 4420 is at 7.871100 -1.877029 -1.549079 ESP Fit Center 4421 is at 7.663226 -1.516980 -1.549079 ESP Fit Center 4422 is at 7.344744 -3.323181 -1.549079 ESP Fit Center 4423 is at 7.663226 -3.055943 -1.549079 ESP Fit Center 4424 is at 7.871100 -2.695894 -1.549079 ESP Fit Center 4425 is at 7.579251 -2.286462 -1.777822 ESP Fit Center 4426 is at 7.467642 -1.869933 -1.777822 ESP Fit Center 4427 is at 7.162722 -3.007910 -1.777822 ESP Fit Center 4428 is at 7.467642 -2.702990 -1.777822 ESP Fit Center 4429 is at 7.173434 -2.286462 -1.919824 ESP Fit Center 4430 is at 3.578509 -3.576078 -0.534267 ESP Fit Center 4431 is at 3.801518 -3.930994 -0.534267 ESP Fit Center 4432 is at 4.097911 -4.227388 -0.534267 ESP Fit Center 4433 is at 4.452828 -4.450397 -0.534267 ESP Fit Center 4434 is at 4.848470 -4.588838 -0.534267 ESP Fit Center 4435 is at 5.264998 -4.635769 -0.534267 ESP Fit Center 4436 is at 3.445504 -3.376967 -0.961507 ESP Fit Center 4437 is at 3.619832 -3.753771 -0.961507 ESP Fit Center 4438 is at 3.871087 -4.084291 -0.961507 ESP Fit Center 4439 is at 4.187519 -4.353071 -0.961507 ESP Fit Center 4440 is at 4.554333 -4.547543 -0.961507 ESP Fit Center 4441 is at 4.954376 -4.658615 -0.961507 ESP Fit Center 4442 is at 5.368945 -4.681092 -0.961507 ESP Fit Center 4443 is at 5.778652 -4.613924 -0.961507 ESP Fit Center 4444 is at 6.164342 -4.460251 -0.961507 ESP Fit Center 4445 is at 3.440068 -3.180436 -1.388747 ESP Fit Center 4446 is at 3.578509 -3.576078 -1.388747 ESP Fit Center 4447 is at 3.801518 -3.930994 -1.388747 ESP Fit Center 4448 is at 4.097911 -4.227388 -1.388747 ESP Fit Center 4449 is at 4.452828 -4.450397 -1.388747 ESP Fit Center 4450 is at 4.848470 -4.588838 -1.388747 ESP Fit Center 4451 is at 5.264998 -4.635769 -1.388747 ESP Fit Center 4452 is at 5.681526 -4.588838 -1.388747 ESP Fit Center 4453 is at 6.077168 -4.450397 -1.388747 ESP Fit Center 4454 is at 6.432085 -4.227388 -1.388747 ESP Fit Center 4455 is at 3.585404 -2.349925 -1.794564 ESP Fit Center 4456 is at 3.535138 -2.763908 -1.794564 ESP Fit Center 4457 is at 3.585404 -3.177890 -1.794564 ESP Fit Center 4458 is at 3.733283 -3.567814 -1.794564 ESP Fit Center 4459 is at 3.970179 -3.911017 -1.794564 ESP Fit Center 4460 is at 4.282325 -4.187555 -1.794564 ESP Fit Center 4461 is at 4.651581 -4.381355 -1.794564 ESP Fit Center 4462 is at 5.056486 -4.481155 -1.794564 ESP Fit Center 4463 is at 5.473509 -4.481155 -1.794564 ESP Fit Center 4464 is at 5.878415 -4.381355 -1.794564 ESP Fit Center 4465 is at 6.247671 -4.187555 -1.794564 ESP Fit Center 4466 is at 6.559817 -3.911017 -1.794564 ESP Fit Center 4467 is at 6.796713 -3.567814 -1.794564 ESP Fit Center 4468 is at 6.766114 -2.763908 -2.158608 ESP Fit Center 4469 is at 4.002178 -1.952343 -2.158608 ESP Fit Center 4470 is at 3.824687 -2.340994 -2.158608 ESP Fit Center 4471 is at 3.763881 -2.763908 -2.158608 ESP Fit Center 4472 is at 3.824687 -3.186821 -2.158608 ESP Fit Center 4473 is at 4.002178 -3.575473 -2.158608 ESP Fit Center 4474 is at 4.281976 -3.898376 -2.158608 ESP Fit Center 4475 is at 4.641412 -4.129371 -2.158608 ESP Fit Center 4476 is at 5.051367 -4.249745 -2.158608 ESP Fit Center 4477 is at 5.478629 -4.249745 -2.158608 ESP Fit Center 4478 is at 5.888584 -4.129371 -2.158608 ESP Fit Center 4479 is at 6.248020 -3.898376 -2.158608 ESP Fit Center 4480 is at 6.527817 -3.575473 -2.158608 ESP Fit Center 4481 is at 6.705309 -3.186821 -2.158608 ESP Fit Center 4482 is at 6.462098 -2.763908 -2.462624 ESP Fit Center 4483 is at 6.389904 -2.354475 -2.462624 ESP Fit Center 4484 is at 6.182030 -1.994426 -2.462624 ESP Fit Center 4485 is at 5.863548 -1.727188 -2.462624 ESP Fit Center 4486 is at 5.472872 -1.584994 -2.462624 ESP Fit Center 4487 is at 5.057124 -1.584994 -2.462624 ESP Fit Center 4488 is at 4.666448 -1.727188 -2.462624 ESP Fit Center 4489 is at 4.347966 -1.994426 -2.462624 ESP Fit Center 4490 is at 4.140091 -2.354475 -2.462624 ESP Fit Center 4491 is at 4.067897 -2.763908 -2.462624 ESP Fit Center 4492 is at 4.140091 -3.173340 -2.462624 ESP Fit Center 4493 is at 4.347966 -3.533389 -2.462624 ESP Fit Center 4494 is at 4.666448 -3.800627 -2.462624 ESP Fit Center 4495 is at 5.057124 -3.942821 -2.462624 ESP Fit Center 4496 is at 5.472872 -3.942821 -2.462624 ESP Fit Center 4497 is at 5.863548 -3.800627 -2.462624 ESP Fit Center 4498 is at 6.182030 -3.533389 -2.462624 ESP Fit Center 4499 is at 6.389904 -3.173340 -2.462624 ESP Fit Center 4500 is at 6.098055 -2.763908 -2.691367 ESP Fit Center 4501 is at 5.986446 -2.347379 -2.691367 ESP Fit Center 4502 is at 5.681526 -2.042459 -2.691367 ESP Fit Center 4503 is at 5.264998 -1.930851 -2.691367 ESP Fit Center 4504 is at 4.848470 -2.042459 -2.691367 ESP Fit Center 4505 is at 4.543550 -2.347379 -2.691367 ESP Fit Center 4506 is at 4.431941 -2.763908 -2.691367 ESP Fit Center 4507 is at 4.543550 -3.180436 -2.691367 ESP Fit Center 4508 is at 4.848470 -3.485356 -2.691367 ESP Fit Center 4509 is at 5.264998 -3.596964 -2.691367 ESP Fit Center 4510 is at 5.681526 -3.485356 -2.691367 ESP Fit Center 4511 is at 5.986446 -3.180436 -2.691367 ESP Fit Center 4512 is at 5.692238 -2.763908 -2.833369 ESP Fit Center 4513 is at 5.478618 -2.393907 -2.833369 ESP Fit Center 4514 is at 5.051378 -2.393907 -2.833369 ESP Fit Center 4515 is at 4.837758 -2.763908 -2.833369 ESP Fit Center 4516 is at 5.051378 -3.133909 -2.833369 ESP Fit Center 4517 is at 5.478618 -3.133909 -2.833369 ESP Fit Center 4518 is at 5.264998 -2.763908 -2.881507 ESP Fit Center 4519 is at 5.236748 -2.782701 2.732136 ESP Fit Center 4520 is at 5.663988 -2.782701 2.683998 ESP Fit Center 4521 is at 5.450368 -2.412701 2.683998 ESP Fit Center 4522 is at 5.023128 -2.412701 2.683998 ESP Fit Center 4523 is at 4.809508 -2.782701 2.683998 ESP Fit Center 4524 is at 5.023128 -3.152702 2.683998 ESP Fit Center 4525 is at 5.450368 -3.152702 2.683998 ESP Fit Center 4526 is at 6.069805 -2.782701 2.541996 ESP Fit Center 4527 is at 5.958196 -2.366173 2.541996 ESP Fit Center 4528 is at 5.653276 -2.061253 2.541996 ESP Fit Center 4529 is at 5.236748 -1.949645 2.541996 ESP Fit Center 4530 is at 4.820220 -2.061253 2.541996 ESP Fit Center 4531 is at 4.515300 -2.366173 2.541996 ESP Fit Center 4532 is at 4.403691 -2.782701 2.541996 ESP Fit Center 4533 is at 4.515300 -3.199230 2.541996 ESP Fit Center 4534 is at 4.820220 -3.504150 2.541996 ESP Fit Center 4535 is at 5.236748 -3.615758 2.541996 ESP Fit Center 4536 is at 5.653276 -3.504150 2.541996 ESP Fit Center 4537 is at 5.958196 -3.199230 2.541996 ESP Fit Center 4538 is at 6.433848 -2.782701 2.313252 ESP Fit Center 4539 is at 6.361654 -2.373269 2.313252 ESP Fit Center 4540 is at 6.153780 -2.013220 2.313252 ESP Fit Center 4541 is at 5.835298 -1.745982 2.313252 ESP Fit Center 4542 is at 5.444622 -1.603788 2.313252 ESP Fit Center 4543 is at 5.028874 -1.603788 2.313252 ESP Fit Center 4544 is at 4.638198 -1.745982 2.313252 ESP Fit Center 4545 is at 4.319716 -2.013220 2.313252 ESP Fit Center 4546 is at 4.111842 -2.373269 2.313252 ESP Fit Center 4547 is at 4.039648 -2.782701 2.313252 ESP Fit Center 4548 is at 4.111842 -3.192134 2.313252 ESP Fit Center 4549 is at 4.319716 -3.552183 2.313252 ESP Fit Center 4550 is at 4.638198 -3.819421 2.313252 ESP Fit Center 4551 is at 5.028874 -3.961615 2.313252 ESP Fit Center 4552 is at 5.444622 -3.961615 2.313252 ESP Fit Center 4553 is at 5.835298 -3.819421 2.313252 ESP Fit Center 4554 is at 6.153780 -3.552183 2.313252 ESP Fit Center 4555 is at 6.361654 -3.192134 2.313252 ESP Fit Center 4556 is at 6.737864 -2.782701 2.009236 ESP Fit Center 4557 is at 3.973929 -1.971137 2.009236 ESP Fit Center 4558 is at 3.796437 -2.359788 2.009236 ESP Fit Center 4559 is at 3.735632 -2.782701 2.009236 ESP Fit Center 4560 is at 3.796437 -3.205615 2.009236 ESP Fit Center 4561 is at 3.973929 -3.594266 2.009236 ESP Fit Center 4562 is at 4.253726 -3.917170 2.009236 ESP Fit Center 4563 is at 4.613162 -4.148165 2.009236 ESP Fit Center 4564 is at 5.023117 -4.268539 2.009236 ESP Fit Center 4565 is at 5.450379 -4.268539 2.009236 ESP Fit Center 4566 is at 5.860334 -4.148165 2.009236 ESP Fit Center 4567 is at 6.219770 -3.917170 2.009236 ESP Fit Center 4568 is at 6.499568 -3.594266 2.009236 ESP Fit Center 4569 is at 6.677059 -3.205615 2.009236 ESP Fit Center 4570 is at 3.557154 -2.368719 1.645193 ESP Fit Center 4571 is at 3.506888 -2.782701 1.645193 ESP Fit Center 4572 is at 3.557154 -3.196684 1.645193 ESP Fit Center 4573 is at 3.705033 -3.586608 1.645193 ESP Fit Center 4574 is at 3.941929 -3.929811 1.645193 ESP Fit Center 4575 is at 4.254075 -4.206349 1.645193 ESP Fit Center 4576 is at 4.623331 -4.400149 1.645193 ESP Fit Center 4577 is at 5.028236 -4.499949 1.645193 ESP Fit Center 4578 is at 5.445260 -4.499949 1.645193 ESP Fit Center 4579 is at 5.850165 -4.400149 1.645193 ESP Fit Center 4580 is at 6.219421 -4.206349 1.645193 ESP Fit Center 4581 is at 6.531567 -3.929811 1.645193 ESP Fit Center 4582 is at 6.768463 -3.586608 1.645193 ESP Fit Center 4583 is at 3.411818 -3.199230 1.239376 ESP Fit Center 4584 is at 3.550259 -3.594872 1.239376 ESP Fit Center 4585 is at 3.773268 -3.949788 1.239376 ESP Fit Center 4586 is at 4.069661 -4.246182 1.239376 ESP Fit Center 4587 is at 4.424578 -4.469191 1.239376 ESP Fit Center 4588 is at 4.820220 -4.607632 1.239376 ESP Fit Center 4589 is at 5.236748 -4.654563 1.239376 ESP Fit Center 4590 is at 5.653276 -4.607632 1.239376 ESP Fit Center 4591 is at 6.048918 -4.469191 1.239376 ESP Fit Center 4592 is at 6.403835 -4.246182 1.239376 ESP Fit Center 4593 is at 3.417254 -3.395760 0.812136 ESP Fit Center 4594 is at 3.591582 -3.772565 0.812136 ESP Fit Center 4595 is at 3.842837 -4.103084 0.812136 ESP Fit Center 4596 is at 4.159269 -4.371864 0.812136 ESP Fit Center 4597 is at 4.526083 -4.566337 0.812136 ESP Fit Center 4598 is at 4.926127 -4.677408 0.812136 ESP Fit Center 4599 is at 5.340695 -4.699886 0.812136 ESP Fit Center 4600 is at 5.750402 -4.632717 0.812136 ESP Fit Center 4601 is at 6.136092 -4.479045 0.812136 ESP Fit Center 4602 is at 3.550259 -3.594872 0.384896 ESP Fit Center 4603 is at 3.773268 -3.949788 0.384896 ESP Fit Center 4604 is at 4.069661 -4.246182 0.384896 ESP Fit Center 4605 is at 4.424578 -4.469191 0.384896 ESP Fit Center 4606 is at 4.820220 -4.607632 0.384896 ESP Fit Center 4607 is at 5.236748 -4.654563 0.384896 ESP Fit Center 4608 is at -0.446464 -4.453979 -0.571408 ESP Fit Center 4609 is at -0.331540 -1.129828 -2.554753 ESP Fit Center 4610 is at -0.547973 -1.500568 -2.716888 ESP Fit Center 4611 is at -0.853365 -1.195176 -2.716888 ESP Fit Center 4612 is at -1.368305 -2.472423 3.978882 ESP Fit Center 4613 is at -1.157119 -2.106637 3.945640 ESP Fit Center 4614 is at -1.579492 -2.106637 3.945640 ESP Fit Center 4615 is at -1.790678 -2.472423 3.945640 ESP Fit Center 4616 is at -1.579492 -2.838209 3.945640 ESP Fit Center 4617 is at -1.157119 -2.838209 3.945640 ESP Fit Center 4618 is at -1.368305 -1.638077 3.846734 ESP Fit Center 4619 is at -1.785478 -1.749859 3.846734 ESP Fit Center 4620 is at -2.090870 -2.889596 3.846734 ESP Fit Center 4621 is at -1.785478 -3.194988 3.846734 ESP Fit Center 4622 is at -1.368305 -3.306769 3.846734 ESP Fit Center 4623 is at -0.951132 -3.194988 3.846734 ESP Fit Center 4624 is at -1.581159 -1.265271 3.684599 ESP Fit Center 4625 is at -2.307303 -3.260336 3.684599 ESP Fit Center 4626 is at -1.981193 -3.533975 3.684599 ESP Fit Center 4627 is at -1.581159 -3.679575 3.684599 ESP Fit Center 4628 is at -1.155452 -3.679575 3.684599 ESP Fit Center 4629 is at -0.755418 -3.533975 3.684599 ESP Fit Center 4630 is at -1.368305 -0.885403 3.463228 ESP Fit Center 4631 is at -2.490498 -3.594616 3.463228 ESP Fit Center 4632 is at -2.161815 -3.846823 3.463228 ESP Fit Center 4633 is at -1.779056 -4.005367 3.463228 ESP Fit Center 4634 is at -1.368305 -4.059443 3.463228 ESP Fit Center 4635 is at -0.957554 -4.005367 3.463228 ESP Fit Center 4636 is at -0.574795 -3.846823 3.463228 ESP Fit Center 4637 is at -0.246113 -3.594616 3.463228 ESP Fit Center 4638 is at -1.368305 -0.563235 3.188070 ESP Fit Center 4639 is at -2.860969 -3.662783 3.188070 ESP Fit Center 4640 is at -2.558665 -3.965087 3.188070 ESP Fit Center 4641 is at -2.196671 -4.192542 3.188070 ESP Fit Center 4642 is at -0.539940 -4.192542 3.188070 ESP Fit Center 4643 is at -0.177946 -3.965087 3.188070 ESP Fit Center 4644 is at -3.085317 -3.822696 2.865902 ESP Fit Center 4645 is at -2.798748 -4.123242 2.865902 ESP Fit Center 4646 is at -0.101260 -4.251739 2.865902 ESP Fit Center 4647 is at 0.212580 -3.979795 2.865902 ESP Fit Center 4648 is at -3.211192 -4.018789 2.504656 ESP Fit Center 4649 is at 0.474581 -4.018789 2.504656 ESP Fit Center 4650 is at -3.394702 -4.049631 2.113228 ESP Fit Center 4651 is at 0.658091 -4.049631 2.113228 ESP Fit Center 4652 is at -3.525758 -4.039905 1.701255 ESP Fit Center 4653 is at 0.789148 -4.039905 1.701255 ESP Fit Center 4654 is at 1.007794 -3.683106 1.701255 ESP Fit Center 4655 is at -3.451326 -4.190278 1.278882 ESP Fit Center 4656 is at 0.840104 -4.025784 1.278882 ESP Fit Center 4657 is at 1.051342 -3.670467 1.278882 ESP Fit Center 4658 is at 0.789148 -4.039905 0.856509 ESP Fit Center 4659 is at 1.007794 -3.683106 0.856509 ESP Fit Center 4660 is at 1.167933 -3.296497 0.856509 ESP Fit Center 4661 is at 1.265621 -2.889596 0.856509 ESP Fit Center 4662 is at 0.658091 -4.049631 0.444536 ESP Fit Center 4663 is at -0.981878 -3.564844 -2.596022 ESP Fit Center 4664 is at -0.745327 -3.205185 -2.596022 ESP Fit Center 4665 is at -0.854327 -2.373100 -2.877906 ESP Fit Center 4666 is at -0.911724 -1.955504 -2.877906 ESP Fit Center 4667 is at -1.079659 -1.568880 -2.877906 ESP Fit Center 4668 is at -1.345676 -1.241900 -2.877906 ESP Fit Center 4669 is at -3.602802 -3.349908 -2.877906 ESP Fit Center 4670 is at -3.294738 -3.637619 -2.877906 ESP Fit Center 4671 is at -1.345676 -3.504300 -2.877906 ESP Fit Center 4672 is at -1.079659 -3.177320 -2.877906 ESP Fit Center 4673 is at -0.911724 -2.790696 -2.877906 ESP Fit Center 4674 is at -1.202756 -2.373100 -3.105546 ESP Fit Center 4675 is at -1.275088 -1.962885 -3.105546 ESP Fit Center 4676 is at -1.483359 -1.602149 -3.105546 ESP Fit Center 4677 is at -3.320927 -3.144051 -3.105546 ESP Fit Center 4678 is at -3.001837 -3.411800 -3.105546 ESP Fit Center 4679 is at -2.610415 -3.554266 -3.105546 ESP Fit Center 4680 is at -2.193872 -3.554266 -3.105546 ESP Fit Center 4681 is at -1.802449 -3.411800 -3.105546 ESP Fit Center 4682 is at -1.483359 -3.144051 -3.105546 ESP Fit Center 4683 is at -1.275088 -2.783315 -3.105546 ESP Fit Center 4684 is at -1.583900 -2.373100 -3.272732 ESP Fit Center 4685 is at -1.693524 -1.963979 -3.272732 ESP Fit Center 4686 is at -1.993022 -1.664481 -3.272732 ESP Fit Center 4687 is at -3.110762 -2.782221 -3.272732 ESP Fit Center 4688 is at -2.811264 -3.081719 -3.272732 ESP Fit Center 4689 is at -2.402143 -3.191343 -3.272732 ESP Fit Center 4690 is at -1.993022 -3.081719 -3.272732 ESP Fit Center 4691 is at -1.693524 -2.782221 -3.272732 ESP Fit Center 4692 is at -1.987365 -2.373100 -3.374903 ESP Fit Center 4693 is at -2.194754 -2.013891 -3.374903 ESP Fit Center 4694 is at -2.816921 -2.373100 -3.374903 ESP Fit Center 4695 is at -2.609532 -2.732309 -3.374903 ESP Fit Center 4696 is at -2.194754 -2.732309 -3.374903 ESP Fit Center 4697 is at -2.402143 -2.373100 -3.409272 ESP Fit Center 4698 is at 3.419922 0.570148 2.672745 ESP Fit Center 4699 is at 3.842295 0.570148 2.639503 ESP Fit Center 4700 is at 3.631108 0.935934 2.639503 ESP Fit Center 4701 is at 3.208735 0.935934 2.639503 ESP Fit Center 4702 is at 2.997549 0.570148 2.639503 ESP Fit Center 4703 is at 3.208735 0.204362 2.639503 ESP Fit Center 4704 is at 3.631108 0.204362 2.639503 ESP Fit Center 4705 is at 4.254268 0.570148 2.540597 ESP Fit Center 4706 is at 4.142486 0.987321 2.540597 ESP Fit Center 4707 is at 3.837095 1.292713 2.540597 ESP Fit Center 4708 is at 3.419922 1.404494 2.540597 ESP Fit Center 4709 is at 3.002749 1.292713 2.540597 ESP Fit Center 4710 is at 2.697357 0.152975 2.540597 ESP Fit Center 4711 is at 3.002749 -0.152417 2.540597 ESP Fit Center 4712 is at 4.142486 0.152975 2.540597 ESP Fit Center 4713 is at 4.358919 1.358060 2.378462 ESP Fit Center 4714 is at 4.032809 1.631700 2.378462 ESP Fit Center 4715 is at 3.632775 1.777300 2.378462 ESP Fit Center 4716 is at 3.207068 1.777300 2.378462 ESP Fit Center 4717 is at 4.213432 1.944548 2.157091 ESP Fit Center 4718 is at 3.830673 2.103092 2.157091 ESP Fit Center 4719 is at 3.419922 2.157168 2.157091 ESP Fit Center 4720 is at 4.248287 2.290267 1.881933 ESP Fit Center 4721 is at 3.844756 2.431469 1.881933 ESP Fit Center 4722 is at 4.327332 2.557099 1.559765 ESP Fit Center 4723 is at 3.934901 2.692920 1.559765 ESP Fit Center 4724 is at 4.622780 2.653560 1.198519 ESP Fit Center 4725 is at 4.242726 2.830783 1.198519 ESP Fit Center 4726 is at 4.824404 2.719868 0.807091 ESP Fit Center 4727 is at 4.451416 2.921719 0.807091 ESP Fit Center 4728 is at 4.987403 2.727601 0.395118 ESP Fit Center 4729 is at 4.630605 2.946247 0.395118 ESP Fit Center 4730 is at 5.056730 2.717439 -0.027255 ESP Fit Center 4731 is at 4.709765 2.942131 -0.027255 ESP Fit Center 4732 is at 4.987403 2.727601 -0.449628 ESP Fit Center 4733 is at 4.630605 2.946247 -0.449628 ESP Fit Center 4734 is at 4.824404 2.719868 -0.861601 ESP Fit Center 4735 is at 4.451416 2.921719 -0.861601 ESP Fit Center 4736 is at 4.622780 2.653560 -1.253030 ESP Fit Center 4737 is at 4.242726 2.830783 -1.253030 ESP Fit Center 4738 is at 4.327332 2.557099 -1.614275 ESP Fit Center 4739 is at 3.934901 2.692920 -1.614275 ESP Fit Center 4740 is at 4.248287 2.290267 -1.936444 ESP Fit Center 4741 is at 3.844756 2.431469 -1.936444 ESP Fit Center 4742 is at 4.213432 1.944548 -2.211601 ESP Fit Center 4743 is at 3.830673 2.103092 -2.211601 ESP Fit Center 4744 is at 3.419922 2.157168 -2.211601 ESP Fit Center 4745 is at 4.358919 1.358060 -2.432973 ESP Fit Center 4746 is at 4.032809 1.631700 -2.432973 ESP Fit Center 4747 is at 3.632775 1.777300 -2.432973 ESP Fit Center 4748 is at 3.207068 1.777300 -2.432973 ESP Fit Center 4749 is at 4.254268 0.570148 -2.595108 ESP Fit Center 4750 is at 4.142486 0.987321 -2.595108 ESP Fit Center 4751 is at 3.837095 1.292713 -2.595108 ESP Fit Center 4752 is at 3.419922 1.404494 -2.595108 ESP Fit Center 4753 is at 3.002749 1.292713 -2.595108 ESP Fit Center 4754 is at 2.697357 0.152975 -2.595108 ESP Fit Center 4755 is at 3.002749 -0.152417 -2.595108 ESP Fit Center 4756 is at 3.842295 0.570148 -2.694014 ESP Fit Center 4757 is at 3.631108 0.935934 -2.694014 ESP Fit Center 4758 is at 3.208735 0.935934 -2.694014 ESP Fit Center 4759 is at 2.997549 0.570148 -2.694014 ESP Fit Center 4760 is at 3.208735 0.204362 -2.694014 ESP Fit Center 4761 is at 3.631108 0.204362 -2.694014 ESP Fit Center 4762 is at 3.419922 0.570148 -2.727255 ESP Fit Center 4763 is at 0.015591 3.784788 2.640633 ESP Fit Center 4764 is at 0.430370 3.784788 2.606264 ESP Fit Center 4765 is at 0.222980 4.143996 2.606264 ESP Fit Center 4766 is at -0.191798 4.143996 2.606264 ESP Fit Center 4767 is at -0.399187 3.784788 2.606264 ESP Fit Center 4768 is at -0.191798 3.425579 2.606264 ESP Fit Center 4769 is at 0.833834 3.784788 2.504093 ESP Fit Center 4770 is at 0.724210 4.193909 2.504093 ESP Fit Center 4771 is at 0.424713 4.493407 2.504093 ESP Fit Center 4772 is at 0.015591 4.603030 2.504093 ESP Fit Center 4773 is at -0.393530 4.493407 2.504093 ESP Fit Center 4774 is at -0.693028 4.193909 2.504093 ESP Fit Center 4775 is at -0.802651 3.784788 2.504093 ESP Fit Center 4776 is at -0.693028 3.375666 2.504093 ESP Fit Center 4777 is at 1.142647 4.195002 2.336907 ESP Fit Center 4778 is at 0.934375 4.555739 2.336907 ESP Fit Center 4779 is at 0.615285 4.823488 2.336907 ESP Fit Center 4780 is at 0.223863 4.965954 2.336907 ESP Fit Center 4781 is at -0.192680 4.965954 2.336907 ESP Fit Center 4782 is at -0.584102 4.823488 2.336907 ESP Fit Center 4783 is at -0.903193 4.555739 2.336907 ESP Fit Center 4784 is at -1.111464 4.195002 2.336907 ESP Fit Center 4785 is at -1.183796 3.784788 2.336907 ESP Fit Center 4786 is at -1.111464 3.374573 2.336907 ESP Fit Center 4787 is at 1.506010 4.202383 2.109267 ESP Fit Center 4788 is at 1.338075 4.589008 2.109267 ESP Fit Center 4789 is at 1.072058 4.915987 2.109267 ESP Fit Center 4790 is at 0.727687 5.159071 2.109267 ESP Fit Center 4791 is at 0.330504 5.300230 2.109267 ESP Fit Center 4792 is at -0.090035 5.328995 2.109267 ESP Fit Center 4793 is at -0.502741 5.243234 2.109267 ESP Fit Center 4794 is at -0.877004 5.049307 2.109267 ESP Fit Center 4795 is at -1.185067 4.761596 2.109267 ESP Fit Center 4796 is at -1.404083 4.401439 2.109267 ESP Fit Center 4797 is at -1.517808 3.995549 2.109267 ESP Fit Center 4798 is at -1.517808 3.574027 2.109267 ESP Fit Center 4799 is at 1.672408 4.616872 1.827383 ESP Fit Center 4800 is at 1.435856 4.976531 1.827383 ESP Fit Center 4801 is at 1.122738 5.271944 1.827383 ESP Fit Center 4802 is at 0.749933 5.487183 1.827383 ESP Fit Center 4803 is at 0.337539 5.610645 1.827383 ESP Fit Center 4804 is at -0.092211 5.635675 1.827383 ESP Fit Center 4805 is at -0.516149 5.560923 1.827383 ESP Fit Center 4806 is at -0.911421 5.390420 1.827383 ESP Fit Center 4807 is at -1.256717 5.133356 1.827383 ESP Fit Center 4808 is at -1.533423 4.803591 1.827383 ESP Fit Center 4809 is at -1.726622 4.418901 1.827383 ESP Fit Center 4810 is at -1.825897 4.000027 1.827383 ESP Fit Center 4811 is at 1.954279 4.616744 1.498943 ESP Fit Center 4812 is at 1.747123 4.989969 1.498943 ESP Fit Center 4813 is at 1.469077 5.313854 1.498943 ESP Fit Center 4814 is at 1.131525 5.575138 1.498943 ESP Fit Center 4815 is at 0.748287 5.763125 1.498943 ESP Fit Center 4816 is at 0.335052 5.870119 1.498943 ESP Fit Center 4817 is at -0.091261 5.891739 1.498943 ESP Fit Center 4818 is at -0.513200 5.827101 1.498943 ESP Fit Center 4819 is at -0.913490 5.678850 1.498943 ESP Fit Center 4820 is at -1.275744 5.453055 1.498943 ESP Fit Center 4821 is at -1.585130 5.158962 1.498943 ESP Fit Center 4822 is at -1.828982 4.808610 1.498943 ESP Fit Center 4823 is at -1.997318 4.416342 1.498943 ESP Fit Center 4824 is at -2.083244 3.998218 1.498943 ESP Fit Center 4825 is at 1.977679 4.999661 1.132906 ESP Fit Center 4826 is at 1.721038 5.339508 1.132906 ESP Fit Center 4827 is at 1.406321 5.626411 1.132906 ESP Fit Center 4828 is at 1.044243 5.850600 1.132906 ESP Fit Center 4829 is at 0.647137 6.004440 1.132906 ESP Fit Center 4830 is at 0.228523 6.082692 1.132906 ESP Fit Center 4831 is at -0.197341 6.082692 1.132906 ESP Fit Center 4832 is at -0.615954 6.004440 1.132906 ESP Fit Center 4833 is at -1.013061 5.850600 1.132906 ESP Fit Center 4834 is at -1.375138 5.626411 1.132906 ESP Fit Center 4835 is at -1.689856 5.339508 1.132906 ESP Fit Center 4836 is at -1.946496 4.999661 1.132906 ESP Fit Center 4837 is at -2.136320 4.618443 1.132906 ESP Fit Center 4838 is at -2.252864 4.208835 1.132906 ESP Fit Center 4839 is at 1.886953 5.355046 0.739257 ESP Fit Center 4840 is at 1.585850 5.656149 0.739257 ESP Fit Center 4841 is at 1.237036 5.900391 0.739257 ESP Fit Center 4842 is at 0.851108 6.080352 0.739257 ESP Fit Center 4843 is at 0.439794 6.190563 0.739257 ESP Fit Center 4844 is at 0.015591 6.227676 0.739257 ESP Fit Center 4845 is at -0.408612 6.190563 0.739257 ESP Fit Center 4846 is at -0.819926 6.080352 0.739257 ESP Fit Center 4847 is at -1.205853 5.900391 0.739257 ESP Fit Center 4848 is at -1.554667 5.656149 0.739257 ESP Fit Center 4849 is at -1.855770 5.355046 0.739257 ESP Fit Center 4850 is at -2.100012 5.006232 0.739257 ESP Fit Center 4851 is at -2.279973 4.620305 0.739257 ESP Fit Center 4852 is at -2.390184 4.208991 0.739257 ESP Fit Center 4853 is at 1.969545 5.362495 0.328733 ESP Fit Center 4854 is at 1.674805 5.670021 0.328733 ESP Fit Center 4855 is at 1.332333 5.923312 0.328733 ESP Fit Center 4856 is at 0.951980 6.115082 0.328733 ESP Fit Center 4857 is at 0.544690 6.239813 0.328733 ESP Fit Center 4858 is at 0.122178 6.293918 0.328733 ESP Fit Center 4859 is at -0.303400 6.275839 0.328733 ESP Fit Center 4860 is at -0.719802 6.186098 0.328733 ESP Fit Center 4861 is at -1.115047 6.027275 0.328733 ESP Fit Center 4862 is at -1.477766 5.803940 0.328733 ESP Fit Center 4863 is at -1.797524 5.522518 0.328733 ESP Fit Center 4864 is at -2.065122 5.191104 0.328733 ESP Fit Center 4865 is at -2.272862 4.819234 0.328733 ESP Fit Center 4866 is at -2.414766 4.417604 0.328733 ESP Fit Center 4867 is at 1.969545 5.362495 -0.087467 ESP Fit Center 4868 is at 1.674805 5.670021 -0.087467 ESP Fit Center 4869 is at 1.332333 5.923312 -0.087467 ESP Fit Center 4870 is at 0.951980 6.115082 -0.087467 ESP Fit Center 4871 is at 0.544690 6.239813 -0.087467 ESP Fit Center 4872 is at 0.122178 6.293918 -0.087467 ESP Fit Center 4873 is at -0.303400 6.275839 -0.087467 ESP Fit Center 4874 is at -0.719802 6.186098 -0.087467 ESP Fit Center 4875 is at -1.115047 6.027275 -0.087467 ESP Fit Center 4876 is at -1.477766 5.803940 -0.087467 ESP Fit Center 4877 is at -1.797524 5.522518 -0.087467 ESP Fit Center 4878 is at -2.065122 5.191104 -0.087467 ESP Fit Center 4879 is at -2.272862 4.819234 -0.087467 ESP Fit Center 4880 is at -2.414766 4.417604 -0.087467 ESP Fit Center 4881 is at 1.886953 5.355046 -0.497990 ESP Fit Center 4882 is at 1.585850 5.656149 -0.497990 ESP Fit Center 4883 is at 1.237036 5.900391 -0.497990 ESP Fit Center 4884 is at 0.851108 6.080352 -0.497990 ESP Fit Center 4885 is at 0.439794 6.190563 -0.497990 ESP Fit Center 4886 is at 0.015591 6.227676 -0.497990 ESP Fit Center 4887 is at -0.408612 6.190563 -0.497990 ESP Fit Center 4888 is at -0.819926 6.080352 -0.497990 ESP Fit Center 4889 is at -1.205853 5.900391 -0.497990 ESP Fit Center 4890 is at -1.554667 5.656149 -0.497990 ESP Fit Center 4891 is at -1.855770 5.355046 -0.497990 ESP Fit Center 4892 is at -2.100012 5.006232 -0.497990 ESP Fit Center 4893 is at -2.279973 4.620305 -0.497990 ESP Fit Center 4894 is at 1.977679 4.999661 -0.891639 ESP Fit Center 4895 is at 1.721038 5.339508 -0.891639 ESP Fit Center 4896 is at 1.406321 5.626411 -0.891639 ESP Fit Center 4897 is at 1.044243 5.850600 -0.891639 ESP Fit Center 4898 is at 0.647137 6.004440 -0.891639 ESP Fit Center 4899 is at 0.228523 6.082692 -0.891639 ESP Fit Center 4900 is at -0.197341 6.082692 -0.891639 ESP Fit Center 4901 is at -0.615954 6.004440 -0.891639 ESP Fit Center 4902 is at -1.013061 5.850600 -0.891639 ESP Fit Center 4903 is at -1.375138 5.626411 -0.891639 ESP Fit Center 4904 is at -1.689856 5.339508 -0.891639 ESP Fit Center 4905 is at -1.946496 4.999661 -0.891639 ESP Fit Center 4906 is at -2.136320 4.618443 -0.891639 ESP Fit Center 4907 is at -2.252864 4.208835 -0.891639 ESP Fit Center 4908 is at 1.747123 4.989969 -1.257676 ESP Fit Center 4909 is at 1.469077 5.313854 -1.257676 ESP Fit Center 4910 is at 1.131525 5.575138 -1.257676 ESP Fit Center 4911 is at 0.748287 5.763125 -1.257676 ESP Fit Center 4912 is at 0.335052 5.870119 -1.257676 ESP Fit Center 4913 is at -0.091261 5.891739 -1.257676 ESP Fit Center 4914 is at -0.513200 5.827101 -1.257676 ESP Fit Center 4915 is at -0.913490 5.678850 -1.257676 ESP Fit Center 4916 is at -1.275744 5.453055 -1.257676 ESP Fit Center 4917 is at -1.585130 5.158962 -1.257676 ESP Fit Center 4918 is at -1.828982 4.808610 -1.257676 ESP Fit Center 4919 is at -1.997318 4.416342 -1.257676 ESP Fit Center 4920 is at -2.083244 3.998218 -1.257676 ESP Fit Center 4921 is at 1.672408 4.616872 -1.586116 ESP Fit Center 4922 is at 1.435856 4.976531 -1.586116 ESP Fit Center 4923 is at 1.122738 5.271944 -1.586116 ESP Fit Center 4924 is at 0.749933 5.487183 -1.586116 ESP Fit Center 4925 is at 0.337539 5.610645 -1.586116 ESP Fit Center 4926 is at -0.092211 5.635675 -1.586116 ESP Fit Center 4927 is at -0.516149 5.560923 -1.586116 ESP Fit Center 4928 is at -0.911421 5.390420 -1.586116 ESP Fit Center 4929 is at -1.256717 5.133356 -1.586116 ESP Fit Center 4930 is at -1.533423 4.803591 -1.586116 ESP Fit Center 4931 is at -1.726622 4.418901 -1.586116 ESP Fit Center 4932 is at -1.825897 4.000027 -1.586116 ESP Fit Center 4933 is at 1.506010 4.202383 -1.868001 ESP Fit Center 4934 is at 1.338075 4.589008 -1.868001 ESP Fit Center 4935 is at 1.072058 4.915987 -1.868001 ESP Fit Center 4936 is at 0.727687 5.159071 -1.868001 ESP Fit Center 4937 is at 0.330504 5.300230 -1.868001 ESP Fit Center 4938 is at -0.090035 5.328995 -1.868001 ESP Fit Center 4939 is at -0.502741 5.243234 -1.868001 ESP Fit Center 4940 is at -0.877004 5.049307 -1.868001 ESP Fit Center 4941 is at -1.185067 4.761596 -1.868001 ESP Fit Center 4942 is at -1.404083 4.401439 -1.868001 ESP Fit Center 4943 is at -1.517808 3.995549 -1.868001 ESP Fit Center 4944 is at -1.517808 3.574027 -1.868001 ESP Fit Center 4945 is at 1.142647 4.195002 -2.095641 ESP Fit Center 4946 is at 0.934375 4.555739 -2.095641 ESP Fit Center 4947 is at 0.615285 4.823488 -2.095641 ESP Fit Center 4948 is at 0.223863 4.965954 -2.095641 ESP Fit Center 4949 is at -0.192680 4.965954 -2.095641 ESP Fit Center 4950 is at -0.584102 4.823488 -2.095641 ESP Fit Center 4951 is at -0.903193 4.555739 -2.095641 ESP Fit Center 4952 is at -1.111464 4.195002 -2.095641 ESP Fit Center 4953 is at -1.183796 3.784788 -2.095641 ESP Fit Center 4954 is at -1.111464 3.374573 -2.095641 ESP Fit Center 4955 is at 0.724210 4.193909 -2.262826 ESP Fit Center 4956 is at 0.424713 4.493407 -2.262826 ESP Fit Center 4957 is at 0.015591 4.603030 -2.262826 ESP Fit Center 4958 is at -0.393530 4.493407 -2.262826 ESP Fit Center 4959 is at -0.693028 4.193909 -2.262826 ESP Fit Center 4960 is at -0.802651 3.784788 -2.262826 ESP Fit Center 4961 is at 0.430370 3.784788 -2.364997 ESP Fit Center 4962 is at 0.222980 4.143996 -2.364997 ESP Fit Center 4963 is at -0.191798 4.143996 -2.364997 ESP Fit Center 4964 is at -0.399187 3.784788 -2.364997 ESP Fit Center 4965 is at 0.015591 3.784788 -2.399367 ESP Fit Center 4966 is at 0.377106 2.604453 2.764137 ESP Fit Center 4967 is at 0.799479 2.604453 2.730896 ESP Fit Center 4968 is at 0.588293 2.970239 2.730896 ESP Fit Center 4969 is at 0.165920 2.970239 2.730896 ESP Fit Center 4970 is at -0.045267 2.604453 2.730896 ESP Fit Center 4971 is at 0.165920 2.238667 2.730896 ESP Fit Center 4972 is at 0.588293 2.238667 2.730896 ESP Fit Center 4973 is at 1.099671 3.021626 2.631990 ESP Fit Center 4974 is at 0.794279 3.327018 2.631990 ESP Fit Center 4975 is at 0.377106 3.438799 2.631990 ESP Fit Center 4976 is at -0.040067 3.327018 2.631990 ESP Fit Center 4977 is at -0.345459 3.021626 2.631990 ESP Fit Center 4978 is at -0.457240 2.604453 2.631990 ESP Fit Center 4979 is at -0.345459 2.187280 2.631990 ESP Fit Center 4980 is at 0.377106 1.770107 2.631990 ESP Fit Center 4981 is at 0.794279 1.881889 2.631990 ESP Fit Center 4982 is at 0.989993 3.666005 2.469855 ESP Fit Center 4983 is at -0.774745 3.023693 2.469855 ESP Fit Center 4984 is at 0.589960 1.397301 2.469855 ESP Fit Center 4985 is at -1.155838 3.015204 2.248483 ESP Fit Center 4986 is at 1.170616 3.978853 -2.120208 ESP Fit Center 4987 is at 0.989993 3.666005 -2.341580 ESP Fit Center 4988 is at 0.589960 3.811605 -2.341580 ESP Fit Center 4989 is at -0.561892 3.392366 -2.341580 ESP Fit Center 4990 is at -0.774745 3.023693 -2.341580 ESP Fit Center 4991 is at 1.099671 3.021626 -2.503715 ESP Fit Center 4992 is at 0.794279 3.327018 -2.503715 ESP Fit Center 4993 is at 0.377106 3.438799 -2.503715 ESP Fit Center 4994 is at -0.040067 3.327018 -2.503715 ESP Fit Center 4995 is at -0.345459 3.021626 -2.503715 ESP Fit Center 4996 is at -0.457240 2.604453 -2.503715 ESP Fit Center 4997 is at 0.794279 1.881889 -2.503715 ESP Fit Center 4998 is at 0.799479 2.604453 -2.602621 ESP Fit Center 4999 is at 0.588293 2.970239 -2.602621 ESP Fit Center 5000 is at 0.165920 2.970239 -2.602621 ESP Fit Center 5001 is at -0.045267 2.604453 -2.602621 ESP Fit Center 5002 is at 0.165920 2.238667 -2.602621 ESP Fit Center 5003 is at 0.588293 2.238667 -2.602621 ESP Fit Center 5004 is at 0.377106 2.604453 -2.635863 ESP Fit Center 5005 is at -0.564137 1.539511 2.715092 ESP Fit Center 5006 is at -0.141764 1.539511 2.681850 ESP Fit Center 5007 is at -0.352950 1.905296 2.681850 ESP Fit Center 5008 is at -0.775323 1.905296 2.681850 ESP Fit Center 5009 is at -0.986510 1.539511 2.681850 ESP Fit Center 5010 is at -0.775323 1.173725 2.681850 ESP Fit Center 5011 is at -0.352950 1.173725 2.681850 ESP Fit Center 5012 is at 0.270209 1.539511 2.582945 ESP Fit Center 5013 is at -0.981310 2.262075 2.582945 ESP Fit Center 5014 is at -0.981310 0.816946 2.582945 ESP Fit Center 5015 is at 0.158428 1.122338 2.582945 ESP Fit Center 5016 is at -1.177024 2.601062 2.420810 ESP Fit Center 5017 is at 0.587714 1.120271 2.420810 ESP Fit Center 5018 is at -0.776990 2.746663 -2.390626 ESP Fit Center 5019 is at -1.177024 2.601062 -2.390626 ESP Fit Center 5020 is at 0.270209 1.539511 -2.552761 ESP Fit Center 5021 is at 0.158428 1.956684 -2.552761 ESP Fit Center 5022 is at -0.564137 2.373857 -2.552761 ESP Fit Center 5023 is at -0.981310 2.262075 -2.552761 ESP Fit Center 5024 is at -0.141764 1.539511 -2.651667 ESP Fit Center 5025 is at -0.352950 1.905296 -2.651667 ESP Fit Center 5026 is at -0.775323 1.905296 -2.651667 ESP Fit Center 5027 is at -0.986510 1.539511 -2.651667 ESP Fit Center 5028 is at -0.775323 1.173725 -2.651667 ESP Fit Center 5029 is at -0.352950 1.173725 -2.651667 ESP Fit Center 5030 is at -0.564137 1.539511 -2.684908 ESP Fit Center 5031 is at -1.550833 1.598529 2.690182 ESP Fit Center 5032 is at -1.762019 1.964314 2.690182 ESP Fit Center 5033 is at -1.250641 2.015702 2.591276 ESP Fit Center 5034 is at -1.556033 2.321093 2.591276 ESP Fit Center 5035 is at -1.973206 2.432874 2.591276 ESP Fit Center 5036 is at -1.360319 2.660080 2.429141 ESP Fit Center 5037 is at -1.760353 2.805681 2.429141 ESP Fit Center 5038 is at -2.186059 2.805681 2.429141 ESP Fit Center 5039 is at -1.562455 3.131472 2.207769 ESP Fit Center 5040 is at -1.973206 3.185549 2.207769 ESP Fit Center 5041 is at -2.383957 3.131472 2.207769 ESP Fit Center 5042 is at -1.973206 3.507717 1.932612 ESP Fit Center 5043 is at -2.398040 3.459850 1.932612 ESP Fit Center 5044 is at -2.801572 3.318648 1.932612 ESP Fit Center 5045 is at -2.284071 3.760641 1.610444 ESP Fit Center 5046 is at -2.687636 3.662737 1.610444 ESP Fit Center 5047 is at -3.065379 3.490228 1.610444 ESP Fit Center 5048 is at -2.390954 3.967698 1.249198 ESP Fit Center 5049 is at -2.796010 3.859164 1.249198 ESP Fit Center 5050 is at -3.176065 3.681941 1.249198 ESP Fit Center 5051 is at -2.603577 4.087806 0.857769 ESP Fit Center 5052 is at -3.004701 3.950099 0.857769 ESP Fit Center 5053 is at -2.797280 4.134767 0.445797 ESP Fit Center 5054 is at -3.183889 3.974628 0.445797 ESP Fit Center 5055 is at -2.688656 4.202013 0.023423 ESP Fit Center 5056 is at -3.077691 4.062288 0.023423 ESP Fit Center 5057 is at -2.797280 4.134767 -0.398950 ESP Fit Center 5058 is at -3.183889 3.974628 -0.398950 ESP Fit Center 5059 is at -2.603577 4.087806 -0.810922 ESP Fit Center 5060 is at -3.004701 3.950099 -0.810922 ESP Fit Center 5061 is at -2.390954 3.967698 -1.202351 ESP Fit Center 5062 is at -2.796010 3.859164 -1.202351 ESP Fit Center 5063 is at -1.869271 3.780400 -1.563597 ESP Fit Center 5064 is at -2.284071 3.760641 -1.563597 ESP Fit Center 5065 is at -2.687636 3.662737 -1.563597 ESP Fit Center 5066 is at -1.548372 3.459850 -1.885765 ESP Fit Center 5067 is at -1.973206 3.507717 -1.885765 ESP Fit Center 5068 is at -2.398040 3.459850 -1.885765 ESP Fit Center 5069 is at -2.801572 3.318648 -1.885765 ESP Fit Center 5070 is at -1.562455 3.131472 -2.160922 ESP Fit Center 5071 is at -1.973206 3.185549 -2.160922 ESP Fit Center 5072 is at -2.383957 3.131472 -2.160922 ESP Fit Center 5073 is at -1.360319 2.660080 -2.382294 ESP Fit Center 5074 is at -1.760353 2.805681 -2.382294 ESP Fit Center 5075 is at -2.186059 2.805681 -2.382294 ESP Fit Center 5076 is at -1.556033 2.321093 -2.544429 ESP Fit Center 5077 is at -1.973206 2.432874 -2.544429 ESP Fit Center 5078 is at -1.762019 1.964314 -2.643335 ESP Fit Center 5079 is at -0.106992 -0.906321 -2.486534 ESP Fit Center 5080 is at -0.424498 -0.487082 -2.648669 ESP Fit Center 5081 is at -0.536279 -0.904254 -2.648669 ESP Fit Center 5082 is at -0.836470 -0.487082 -2.747575 ESP Fit Center 5083 is at -1.047657 -0.121296 -2.747575 ESP Fit Center 5084 is at -1.047657 -0.852867 -2.747575 ESP Fit Center 5085 is at -0.158645 0.300509 2.656310 ESP Fit Center 5086 is at 0.263728 0.300509 2.623069 ESP Fit Center 5087 is at 0.052542 0.666295 2.623069 ESP Fit Center 5088 is at -0.369831 0.666295 2.623069 ESP Fit Center 5089 is at -0.581018 0.300509 2.623069 ESP Fit Center 5090 is at -0.369831 -0.065276 2.623069 ESP Fit Center 5091 is at 0.052542 -0.065276 2.623069 ESP Fit Center 5092 is at 0.563920 0.717682 2.524163 ESP Fit Center 5093 is at 0.780353 1.088422 2.362028 ESP Fit Center 5094 is at 0.054209 -0.906643 -2.449407 ESP Fit Center 5095 is at 0.563920 0.717682 -2.611542 ESP Fit Center 5096 is at 0.258528 1.023074 -2.611542 ESP Fit Center 5097 is at -0.881210 0.717682 -2.611542 ESP Fit Center 5098 is at -0.158645 -0.533836 -2.611542 ESP Fit Center 5099 is at 0.258528 -0.422055 -2.611542 ESP Fit Center 5100 is at 0.263728 0.300509 -2.710448 ESP Fit Center 5101 is at 0.052542 0.666295 -2.710448 ESP Fit Center 5102 is at -0.369831 0.666295 -2.710448 ESP Fit Center 5103 is at -0.581018 0.300509 -2.710448 ESP Fit Center 5104 is at -0.369831 -0.065276 -2.710448 ESP Fit Center 5105 is at 0.052542 -0.065276 -2.710448 ESP Fit Center 5106 is at -0.158645 0.300509 -2.743690 ESP Fit Center 5107 is at 1.183616 -0.052980 2.639974 ESP Fit Center 5108 is at 1.605989 -0.052980 2.606732 ESP Fit Center 5109 is at 1.394803 0.312806 2.606732 ESP Fit Center 5110 is at 0.972430 0.312806 2.606732 ESP Fit Center 5111 is at 0.761243 -0.052980 2.606732 ESP Fit Center 5112 is at 0.972430 -0.418766 2.606732 ESP Fit Center 5113 is at 1.394803 -0.418766 2.606732 ESP Fit Center 5114 is at 0.766443 0.669585 2.507826 ESP Fit Center 5115 is at 1.183616 -0.887326 2.507826 ESP Fit Center 5116 is at 1.600789 -0.775545 2.507826 ESP Fit Center 5117 is at 1.906181 -0.470153 2.507826 ESP Fit Center 5118 is at 1.796503 -1.114532 2.345691 ESP Fit Center 5119 is at 2.122614 -0.840893 2.345691 ESP Fit Center 5120 is at 2.335467 -0.472220 2.345691 ESP Fit Center 5121 is at 1.594367 -1.585924 2.124320 ESP Fit Center 5122 is at 1.977126 -1.427380 2.124320 ESP Fit Center 5123 is at 2.011982 -1.773099 1.849162 ESP Fit Center 5124 is at 1.698595 -2.175753 1.526994 ESP Fit Center 5125 is at 1.601365 -2.422149 1.165748 ESP Fit Center 5126 is at 1.395668 -2.612062 0.774320 ESP Fit Center 5127 is at 1.698595 -2.175753 -1.647047 ESP Fit Center 5128 is at 1.608450 -1.914301 -1.969215 ESP Fit Center 5129 is at 2.011982 -1.773099 -1.969215 ESP Fit Center 5130 is at 1.183616 -1.640000 -2.244372 ESP Fit Center 5131 is at 1.594367 -1.585924 -2.244372 ESP Fit Center 5132 is at 1.977126 -1.427380 -2.244372 ESP Fit Center 5133 is at 2.305809 -1.175173 -2.244372 ESP Fit Center 5134 is at 0.244618 -0.840893 -2.465744 ESP Fit Center 5135 is at 0.570729 -1.114532 -2.465744 ESP Fit Center 5136 is at 0.970763 -1.260132 -2.465744 ESP Fit Center 5137 is at 1.396470 -1.260132 -2.465744 ESP Fit Center 5138 is at 1.796503 -1.114532 -2.465744 ESP Fit Center 5139 is at 2.122614 -0.840893 -2.465744 ESP Fit Center 5140 is at 2.335467 -0.472220 -2.465744 ESP Fit Center 5141 is at 2.017962 -0.052980 -2.627879 ESP Fit Center 5142 is at 1.183616 0.781366 -2.627879 ESP Fit Center 5143 is at 0.766443 0.669585 -2.627879 ESP Fit Center 5144 is at 0.461051 -0.470153 -2.627879 ESP Fit Center 5145 is at 0.766443 -0.775545 -2.627879 ESP Fit Center 5146 is at 1.183616 -0.887326 -2.627879 ESP Fit Center 5147 is at 1.600789 -0.775545 -2.627879 ESP Fit Center 5148 is at 1.906181 -0.470153 -2.627879 ESP Fit Center 5149 is at 1.605989 -0.052980 -2.726785 ESP Fit Center 5150 is at 1.394803 0.312806 -2.726785 ESP Fit Center 5151 is at 0.972430 0.312806 -2.726785 ESP Fit Center 5152 is at 0.761243 -0.052980 -2.726785 ESP Fit Center 5153 is at 0.972430 -0.418766 -2.726785 ESP Fit Center 5154 is at 1.394803 -0.418766 -2.726785 ESP Fit Center 5155 is at 1.183616 -0.052980 -2.760026 ESP Fit Center 5156 is at 2.060208 0.883472 2.683775 ESP Fit Center 5157 is at 2.482581 0.883472 2.650534 ESP Fit Center 5158 is at 2.271395 1.249258 2.650534 ESP Fit Center 5159 is at 1.849022 1.249258 2.650534 ESP Fit Center 5160 is at 1.637835 0.883472 2.650534 ESP Fit Center 5161 is at 1.849022 0.517686 2.650534 ESP Fit Center 5162 is at 2.271395 0.517686 2.650534 ESP Fit Center 5163 is at 2.782773 1.300645 2.551628 ESP Fit Center 5164 is at 2.477381 1.606037 2.551628 ESP Fit Center 5165 is at 1.337644 1.300645 2.551628 ESP Fit Center 5166 is at 1.225862 0.883472 2.551628 ESP Fit Center 5167 is at 2.060208 0.049126 2.551628 ESP Fit Center 5168 is at 2.477381 0.160907 2.551628 ESP Fit Center 5169 is at 0.908357 1.302711 -2.421943 ESP Fit Center 5170 is at 2.782773 1.300645 -2.584078 ESP Fit Center 5171 is at 2.477381 1.606037 -2.584078 ESP Fit Center 5172 is at 2.060208 1.717818 -2.584078 ESP Fit Center 5173 is at 1.643035 1.606037 -2.584078 ESP Fit Center 5174 is at 1.337644 1.300645 -2.584078 ESP Fit Center 5175 is at 2.477381 0.160907 -2.584078 ESP Fit Center 5176 is at 2.482581 0.883472 -2.682983 ESP Fit Center 5177 is at 2.271395 1.249258 -2.682983 ESP Fit Center 5178 is at 1.849022 1.249258 -2.682983 ESP Fit Center 5179 is at 1.637835 0.883472 -2.682983 ESP Fit Center 5180 is at 1.849022 0.517686 -2.682983 ESP Fit Center 5181 is at 2.271395 0.517686 -2.682983 ESP Fit Center 5182 is at 2.060208 0.883472 -2.716225 ESP Fit Center 5183 is at 1.668274 2.267883 2.746693 ESP Fit Center 5184 is at 2.090647 2.267883 2.713451 ESP Fit Center 5185 is at 1.879460 2.633669 2.713451 ESP Fit Center 5186 is at 1.457087 2.633669 2.713451 ESP Fit Center 5187 is at 1.245901 2.267883 2.713451 ESP Fit Center 5188 is at 1.457087 1.902098 2.713451 ESP Fit Center 5189 is at 1.879460 1.902098 2.713451 ESP Fit Center 5190 is at 2.502620 2.267883 2.614545 ESP Fit Center 5191 is at 2.390839 2.685056 2.614545 ESP Fit Center 5192 is at 2.085447 2.990448 2.614545 ESP Fit Center 5193 is at 1.668274 3.102229 2.614545 ESP Fit Center 5194 is at 1.251101 2.990448 2.614545 ESP Fit Center 5195 is at 0.945709 1.850710 2.614545 ESP Fit Center 5196 is at 1.251101 1.545319 2.614545 ESP Fit Center 5197 is at 1.668274 1.433537 2.614545 ESP Fit Center 5198 is at 2.085447 1.545319 2.614545 ESP Fit Center 5199 is at 2.390839 1.850710 2.614545 ESP Fit Center 5200 is at 2.894048 2.267883 2.452410 ESP Fit Center 5201 is at 2.820125 2.687123 2.452410 ESP Fit Center 5202 is at 2.607272 3.055796 2.452410 ESP Fit Center 5203 is at 2.281161 3.329435 2.452410 ESP Fit Center 5204 is at 1.881127 3.475035 2.452410 ESP Fit Center 5205 is at 1.455420 3.475035 2.452410 ESP Fit Center 5206 is at 2.820125 1.848644 2.452410 ESP Fit Center 5207 is at 3.255294 2.267883 2.231038 ESP Fit Center 5208 is at 3.201218 2.678634 2.231038 ESP Fit Center 5209 is at 3.042674 3.061393 2.231038 ESP Fit Center 5210 is at 2.790467 3.390076 2.231038 ESP Fit Center 5211 is at 2.461784 3.642283 2.231038 ESP Fit Center 5212 is at 2.079025 3.800827 2.231038 ESP Fit Center 5213 is at 1.668274 3.854903 2.231038 ESP Fit Center 5214 is at 3.529595 2.692718 1.955881 ESP Fit Center 5215 is at 2.093108 4.129204 1.955881 ESP Fit Center 5216 is at 3.529595 2.692718 -1.862496 ESP Fit Center 5217 is at 3.388393 3.096249 -1.862496 ESP Fit Center 5218 is at 2.496640 3.988003 -1.862496 ESP Fit Center 5219 is at 2.093108 4.129204 -1.862496 ESP Fit Center 5220 is at 1.668274 4.177072 -1.862496 ESP Fit Center 5221 is at 3.255294 2.267883 -2.137653 ESP Fit Center 5222 is at 3.201218 2.678634 -2.137653 ESP Fit Center 5223 is at 3.042674 3.061393 -2.137653 ESP Fit Center 5224 is at 2.790467 3.390076 -2.137653 ESP Fit Center 5225 is at 2.461784 3.642283 -2.137653 ESP Fit Center 5226 is at 2.079025 3.800827 -2.137653 ESP Fit Center 5227 is at 1.668274 3.854903 -2.137653 ESP Fit Center 5228 is at 2.894048 2.267883 -2.359025 ESP Fit Center 5229 is at 2.820125 2.687123 -2.359025 ESP Fit Center 5230 is at 2.607272 3.055796 -2.359025 ESP Fit Center 5231 is at 2.281161 3.329435 -2.359025 ESP Fit Center 5232 is at 1.881127 3.475035 -2.359025 ESP Fit Center 5233 is at 1.455420 3.475035 -2.359025 ESP Fit Center 5234 is at 2.502620 2.267883 -2.521160 ESP Fit Center 5235 is at 2.390839 2.685056 -2.521160 ESP Fit Center 5236 is at 2.085447 2.990448 -2.521160 ESP Fit Center 5237 is at 1.668274 3.102229 -2.521160 ESP Fit Center 5238 is at 1.251101 2.990448 -2.521160 ESP Fit Center 5239 is at 0.945709 1.850710 -2.521160 ESP Fit Center 5240 is at 1.251101 1.545319 -2.521160 ESP Fit Center 5241 is at 2.390839 1.850710 -2.521160 ESP Fit Center 5242 is at 2.090647 2.267883 -2.620066 ESP Fit Center 5243 is at 1.879460 2.633669 -2.620066 ESP Fit Center 5244 is at 1.457087 2.633669 -2.620066 ESP Fit Center 5245 is at 1.245901 2.267883 -2.620066 ESP Fit Center 5246 is at 1.457087 1.902098 -2.620066 ESP Fit Center 5247 is at 1.879460 1.902098 -2.620066 ESP Fit Center 5248 is at 1.668274 2.267883 -2.653307 ESP Fit Center 5249 is at 1.269909 -3.081567 0.598360 ESP Fit Center 5250 is at 1.412532 -2.689715 0.598360 ESP Fit Center 5251 is at 0.662758 -4.003758 0.224924 ESP Fit Center 5252 is at 1.000272 -3.758540 0.224924 ESP Fit Center 5253 is at 1.279426 -3.448507 0.224924 ESP Fit Center 5254 is at 1.488021 -3.087211 0.224924 ESP Fit Center 5255 is at 0.078266 -4.353325 -0.180277 ESP Fit Center 5256 is at 0.475682 -4.232770 -0.180277 ESP Fit Center 5257 is at 0.841942 -4.037000 -0.180277 ESP Fit Center 5258 is at 1.162971 -3.773538 -0.180277 ESP Fit Center 5259 is at 1.426433 -3.452509 -0.180277 ESP Fit Center 5260 is at 1.622203 -3.086248 -0.180277 ESP Fit Center 5261 is at -0.232255 -4.433089 -0.601672 ESP Fit Center 5262 is at 0.174207 -4.374648 -0.601672 ESP Fit Center 5263 is at 0.562265 -4.240340 -0.601672 ESP Fit Center 5264 is at 0.917891 -4.035019 -0.601672 ESP Fit Center 5265 is at 1.228234 -3.766106 -0.601672 ESP Fit Center 5266 is at 1.482076 -3.443319 -0.601672 ESP Fit Center 5267 is at 1.670243 -3.078326 -0.601672 ESP Fit Center 5268 is at -0.335032 -4.394031 -1.023067 ESP Fit Center 5269 is at 0.078266 -4.353325 -1.023067 ESP Fit Center 5270 is at 0.475682 -4.232770 -1.023067 ESP Fit Center 5271 is at 0.841942 -4.037000 -1.023067 ESP Fit Center 5272 is at 1.162971 -3.773538 -1.023067 ESP Fit Center 5273 is at 1.426433 -3.452509 -1.023067 ESP Fit Center 5274 is at 1.622203 -3.086248 -1.023067 ESP Fit Center 5275 is at -0.126437 -4.260183 -1.428268 ESP Fit Center 5276 is at 0.281636 -4.173444 -1.428268 ESP Fit Center 5277 is at 0.662758 -4.003758 -1.428268 ESP Fit Center 5278 is at 1.000272 -3.758540 -1.428268 ESP Fit Center 5279 is at 1.279426 -3.448507 -1.428268 ESP Fit Center 5280 is at 1.488021 -3.087211 -1.428268 ESP Fit Center 5281 is at 1.616940 -2.690439 -1.428268 ESP Fit Center 5282 is at 1.460943 -2.275535 -1.801704 ESP Fit Center 5283 is at -0.439458 -4.068471 -1.801704 ESP Fit Center 5284 is at -0.023164 -4.044225 -1.801704 ESP Fit Center 5285 is at 0.376317 -3.924628 -1.801704 ESP Fit Center 5286 is at 0.737450 -3.716128 -1.801704 ESP Fit Center 5287 is at 1.040764 -3.429965 -1.801704 ESP Fit Center 5288 is at 1.269909 -3.081567 -1.801704 ESP Fit Center 5289 is at 1.412532 -2.689715 -1.801704 ESP Fit Center 5290 is at 1.192319 -2.275535 -2.129023 ESP Fit Center 5291 is at 1.135681 -1.863461 -2.129023 ESP Fit Center 5292 is at -0.439262 -3.799325 -2.129023 ESP Fit Center 5293 is at -0.024283 -3.770940 -2.129023 ESP Fit Center 5294 is at 0.367649 -3.631647 -2.129023 ESP Fit Center 5295 is at 0.707466 -3.391778 -2.129023 ESP Fit Center 5296 is at 0.969966 -3.069122 -2.129023 ESP Fit Center 5297 is at 1.135681 -2.687609 -2.129023 ESP Fit Center 5298 is at 0.865000 -2.275535 -2.397646 ESP Fit Center 5299 is at 0.792629 -1.865100 -2.397646 ESP Fit Center 5300 is at 0.584246 -1.504170 -2.397646 ESP Fit Center 5301 is at 0.264984 -1.236277 -2.397646 ESP Fit Center 5302 is at -0.543415 -3.457336 -2.397646 ESP Fit Center 5303 is at -0.126649 -3.457336 -2.397646 ESP Fit Center 5304 is at 0.264984 -3.314793 -2.397646 ESP Fit Center 5305 is at 0.584246 -3.046901 -2.397646 ESP Fit Center 5306 is at 0.792629 -2.685970 -2.397646 ESP Fit Center 5307 is at 0.491564 -2.275535 -2.597252 ESP Fit Center 5308 is at 0.380821 -1.862237 -2.597252 ESP Fit Center 5309 is at 0.078266 -1.559682 -2.597252 ESP Fit Center 5310 is at -0.335032 -3.102131 -2.597252 ESP Fit Center 5311 is at 0.078266 -2.991388 -2.597252 ESP Fit Center 5312 is at 0.380821 -2.688833 -2.597252 ESP Fit Center 5313 is at 0.086363 -2.275535 -2.720168 ESP Fit Center 5314 is at -0.124334 -1.910596 -2.720168 ESP Fit Center 5315 is at -0.545729 -2.640474 -2.720168 ESP Fit Center 5316 is at -0.124334 -2.640474 -2.720168 ESP Fit Center 5317 is at -0.335032 -2.275535 -2.761672 ESP Fit Center 5318 is at -1.789874 -4.287021 3.239554 ESP Fit Center 5319 is at -1.376576 -4.397764 3.239554 ESP Fit Center 5320 is at -0.963277 -4.287021 3.239554 ESP Fit Center 5321 is at -2.295853 -4.342533 3.039948 ESP Fit Center 5322 is at -1.976591 -4.610425 3.039948 ESP Fit Center 5323 is at -1.584959 -4.752968 3.039948 ESP Fit Center 5324 is at -1.168192 -4.752968 3.039948 ESP Fit Center 5325 is at -0.776560 -4.610425 3.039948 ESP Fit Center 5326 is at -0.457298 -4.342533 3.039948 ESP Fit Center 5327 is at -2.561359 -4.535060 2.771324 ESP Fit Center 5328 is at -2.257369 -4.818967 2.771324 ESP Fit Center 5329 is at -1.888054 -5.010330 2.771324 ESP Fit Center 5330 is at -1.480806 -5.094958 2.771324 ESP Fit Center 5331 is at -1.065827 -5.066572 2.771324 ESP Fit Center 5332 is at -0.673895 -4.927280 2.771324 ESP Fit Center 5333 is at -0.334078 -4.687410 2.771324 ESP Fit Center 5334 is at -0.071578 -4.364754 2.771324 ESP Fit Center 5335 is at -2.877090 -4.558072 2.444006 ESP Fit Center 5336 is at -2.609048 -4.877512 2.444006 ESP Fit Center 5337 is at -2.274563 -5.126527 2.444006 ESP Fit Center 5338 is at -1.891667 -5.291692 2.444006 ESP Fit Center 5339 is at -1.481002 -5.364103 2.444006 ESP Fit Center 5340 is at -1.064708 -5.339857 2.444006 ESP Fit Center 5341 is at -0.665226 -5.220260 2.444006 ESP Fit Center 5342 is at -0.304094 -5.011760 2.444006 ESP Fit Center 5343 is at -0.000779 -4.725598 2.444006 ESP Fit Center 5344 is at 0.228366 -4.377199 2.444006 ESP Fit Center 5345 is at -3.199628 -4.382843 2.070570 ESP Fit Center 5346 is at -2.991034 -4.744140 2.070570 ESP Fit Center 5347 is at -2.711879 -5.054172 2.070570 ESP Fit Center 5348 is at -2.374365 -5.299390 2.070570 ESP Fit Center 5349 is at -1.993244 -5.469077 2.070570 ESP Fit Center 5350 is at -1.585170 -5.555815 2.070570 ESP Fit Center 5351 is at -1.167981 -5.555815 2.070570 ESP Fit Center 5352 is at -0.759908 -5.469077 2.070570 ESP Fit Center 5353 is at -0.378786 -5.299390 2.070570 ESP Fit Center 5354 is at -0.041272 -5.054172 2.070570 ESP Fit Center 5355 is at 0.237882 -4.744140 2.070570 ESP Fit Center 5356 is at 0.446477 -4.382843 2.070570 ESP Fit Center 5357 is at -3.333811 -4.381881 1.665369 ESP Fit Center 5358 is at -3.138041 -4.748141 1.665369 ESP Fit Center 5359 is at -2.874579 -5.069171 1.665369 ESP Fit Center 5360 is at -2.553549 -5.332633 1.665369 ESP Fit Center 5361 is at -2.187289 -5.528403 1.665369 ESP Fit Center 5362 is at -1.789874 -5.648957 1.665369 ESP Fit Center 5363 is at -1.376576 -5.689664 1.665369 ESP Fit Center 5364 is at -0.963277 -5.648957 1.665369 ESP Fit Center 5365 is at -0.565862 -5.528403 1.665369 ESP Fit Center 5366 is at -0.199602 -5.332633 1.665369 ESP Fit Center 5367 is at 0.121427 -5.069171 1.665369 ESP Fit Center 5368 is at 0.384890 -4.748141 1.665369 ESP Fit Center 5369 is at 0.580660 -4.381881 1.665369 ESP Fit Center 5370 is at -3.296460 -4.560937 1.243974 ESP Fit Center 5371 is at -3.074450 -4.906391 1.243974 ESP Fit Center 5372 is at -2.791075 -5.203587 1.243974 ESP Fit Center 5373 is at -2.456576 -5.441782 1.243974 ESP Fit Center 5374 is at -2.083042 -5.612369 1.243974 ESP Fit Center 5375 is at -1.683976 -5.709182 1.243974 ESP Fit Center 5376 is at -1.273799 -5.728721 1.243974 ESP Fit Center 5377 is at -0.867336 -5.670281 1.243974 ESP Fit Center 5378 is at -0.479279 -5.535973 1.243974 ESP Fit Center 5379 is at -0.123653 -5.330652 1.243974 ESP Fit Center 5380 is at 0.186690 -5.061738 1.243974 ESP Fit Center 5381 is at 0.440532 -4.738952 1.243974 ESP Fit Center 5382 is at 0.628699 -4.373958 1.243974 ESP Fit Center 5383 is at -3.333811 -4.381881 0.822579 ESP Fit Center 5384 is at -3.138041 -4.748141 0.822579 ESP Fit Center 5385 is at -2.874579 -5.069171 0.822579 ESP Fit Center 5386 is at -2.553549 -5.332633 0.822579 ESP Fit Center 5387 is at -2.187289 -5.528403 0.822579 ESP Fit Center 5388 is at -1.789874 -5.648957 0.822579 ESP Fit Center 5389 is at -1.376576 -5.689664 0.822579 ESP Fit Center 5390 is at -0.963277 -5.648957 0.822579 ESP Fit Center 5391 is at -0.565862 -5.528403 0.822579 ESP Fit Center 5392 is at -0.199602 -5.332633 0.822579 ESP Fit Center 5393 is at 0.121427 -5.069171 0.822579 ESP Fit Center 5394 is at 0.384890 -4.748141 0.822579 ESP Fit Center 5395 is at 0.580660 -4.381881 0.822579 ESP Fit Center 5396 is at -2.711879 -5.054172 0.417378 ESP Fit Center 5397 is at -2.374365 -5.299390 0.417378 ESP Fit Center 5398 is at -1.993244 -5.469077 0.417378 ESP Fit Center 5399 is at -1.585170 -5.555815 0.417378 ESP Fit Center 5400 is at -1.167981 -5.555815 0.417378 ESP Fit Center 5401 is at -0.759908 -5.469077 0.417378 ESP Fit Center 5402 is at -0.378786 -5.299390 0.417378 ESP Fit Center 5403 is at -0.041272 -5.054172 0.417378 ESP Fit Center 5404 is at 0.237882 -4.744140 0.417378 ESP Fit Center 5405 is at 0.446477 -4.382843 0.417378 ESP Fit Center 5406 is at -1.891667 -5.291692 0.043942 ESP Fit Center 5407 is at -1.481002 -5.364103 0.043942 ESP Fit Center 5408 is at -1.064708 -5.339857 0.043942 ESP Fit Center 5409 is at -0.665226 -5.220260 0.043942 ESP Fit Center 5410 is at -0.304094 -5.011760 0.043942 ESP Fit Center 5411 is at -0.000779 -4.725598 0.043942 ESP Fit Center 5412 is at 0.228366 -4.377199 0.043942 ESP Fit Center 5413 is at -1.065827 -5.066572 -0.283377 ESP Fit Center 5414 is at -0.673895 -4.927280 -0.283377 ESP Fit Center 5415 is at -0.334078 -4.687410 -0.283377 ESP Fit Center 5416 is at -0.502589 -2.129482 4.023028 ESP Fit Center 5417 is at -0.081194 -2.129482 3.981525 ESP Fit Center 5418 is at -0.291891 -1.764543 3.981525 ESP Fit Center 5419 is at -0.713286 -1.764543 3.981525 ESP Fit Center 5420 is at -0.923984 -2.129482 3.981525 ESP Fit Center 5421 is at -0.713286 -2.494421 3.981525 ESP Fit Center 5422 is at -0.291891 -2.494421 3.981525 ESP Fit Center 5423 is at 0.324007 -2.129482 3.858608 ESP Fit Center 5424 is at 0.213264 -1.716184 3.858608 ESP Fit Center 5425 is at -0.089291 -1.413628 3.858608 ESP Fit Center 5426 is at -0.502589 -1.302886 3.858608 ESP Fit Center 5427 is at -0.915887 -1.413628 3.858608 ESP Fit Center 5428 is at -0.502589 -2.956078 3.858608 ESP Fit Center 5429 is at -0.089291 -2.845335 3.858608 ESP Fit Center 5430 is at 0.213264 -2.542780 3.858608 ESP Fit Center 5431 is at 0.697443 -2.129482 3.659003 ESP Fit Center 5432 is at 0.625072 -1.719047 3.659003 ESP Fit Center 5433 is at 0.416689 -1.358116 3.659003 ESP Fit Center 5434 is at 0.097427 -1.090224 3.659003 ESP Fit Center 5435 is at -0.294206 -0.947681 3.659003 ESP Fit Center 5436 is at -0.710972 -0.947681 3.659003 ESP Fit Center 5437 is at -1.102605 -1.090224 3.659003 ESP Fit Center 5438 is at -0.294206 -3.311282 3.659003 ESP Fit Center 5439 is at 0.097427 -3.168740 3.659003 ESP Fit Center 5440 is at 0.416689 -2.900847 3.659003 ESP Fit Center 5441 is at 0.625072 -2.539917 3.659003 ESP Fit Center 5442 is at 1.024762 -2.129482 3.390379 ESP Fit Center 5443 is at 0.968123 -1.717408 3.390379 ESP Fit Center 5444 is at 0.802409 -1.335895 3.390379 ESP Fit Center 5445 is at 0.539909 -1.013239 3.390379 ESP Fit Center 5446 is at 0.200092 -0.773370 3.390379 ESP Fit Center 5447 is at -0.191840 -0.634077 3.390379 ESP Fit Center 5448 is at -0.606819 -0.605692 3.390379 ESP Fit Center 5449 is at -1.014067 -0.690319 3.390379 ESP Fit Center 5450 is at 0.200092 -3.485594 3.390379 ESP Fit Center 5451 is at 0.539909 -3.245725 3.390379 ESP Fit Center 5452 is at 0.802409 -2.923069 3.390379 ESP Fit Center 5453 is at 0.968123 -2.541556 3.390379 ESP Fit Center 5454 is at 1.293385 -2.129482 3.063060 ESP Fit Center 5455 is at 1.244975 -1.715302 3.063060 ESP Fit Center 5456 is at 1.102352 -1.323450 3.063060 ESP Fit Center 5457 is at 0.873207 -0.975052 3.063060 ESP Fit Center 5458 is at 0.569893 -0.688889 3.063060 ESP Fit Center 5459 is at 0.208760 -0.480389 3.063060 ESP Fit Center 5460 is at -0.190721 -0.360792 3.063060 ESP Fit Center 5461 is at -0.607016 -0.336546 3.063060 ESP Fit Center 5462 is at -1.017680 -0.408957 3.063060 ESP Fit Center 5463 is at 0.208760 -3.778574 3.063060 ESP Fit Center 5464 is at 0.569893 -3.570074 3.063060 ESP Fit Center 5465 is at 0.873207 -3.283912 3.063060 ESP Fit Center 5466 is at 1.102352 -2.935514 3.063060 ESP Fit Center 5467 is at 1.244975 -2.543662 3.063060 ESP Fit Center 5468 is at 1.492991 -2.129482 2.689625 ESP Fit Center 5469 is at 1.449383 -1.714577 2.689625 ESP Fit Center 5470 is at 1.320464 -1.317806 2.689625 ESP Fit Center 5471 is at 1.111869 -0.956509 2.689625 ESP Fit Center 5472 is at 0.832715 -0.646477 2.689625 ESP Fit Center 5473 is at 0.495201 -0.401259 2.689625 ESP Fit Center 5474 is at 0.114079 -0.231573 2.689625 ESP Fit Center 5475 is at -0.293994 -0.144834 2.689625 ESP Fit Center 5476 is at -0.711184 -0.144834 2.689625 ESP Fit Center 5477 is at 0.495201 -3.857705 2.689625 ESP Fit Center 5478 is at 0.832715 -3.612487 2.689625 ESP Fit Center 5479 is at 1.111869 -3.302454 2.689625 ESP Fit Center 5480 is at 1.320464 -2.941157 2.689625 ESP Fit Center 5481 is at 1.449383 -2.544386 2.689625 ESP Fit Center 5482 is at 1.615907 -2.129482 2.284423 ESP Fit Center 5483 is at 1.575201 -1.716184 2.284423 ESP Fit Center 5484 is at 0.995414 -3.627485 2.284423 ESP Fit Center 5485 is at 1.258876 -3.306455 2.284423 ESP Fit Center 5486 is at 1.454646 -2.940195 2.284423 ESP Fit Center 5487 is at 1.575201 -2.542780 2.284423 ESP Fit Center 5488 is at 1.657411 -2.129482 1.863028 ESP Fit Center 5489 is at 1.060677 -3.620052 1.863028 ESP Fit Center 5490 is at 1.314519 -3.297266 1.863028 ESP Fit Center 5491 is at 1.502686 -2.932273 1.863028 ESP Fit Center 5492 is at 1.618377 -2.538264 1.863028 ESP Fit Center 5493 is at 1.258876 -3.306455 1.441633 ESP Fit Center 5494 is at 1.454646 -2.940195 1.441633 ESP Fit Center 5495 is at 1.575201 -2.542780 1.441633 ESP Fit Center 5496 is at 1.320464 -2.941157 1.036432 ESP Fit Center 5497 is at 1.449383 -2.544386 1.036432 ESP Fit Center 5498 is at 3.816632 -0.636577 2.652565 ESP Fit Center 5499 is at 4.239005 -0.636577 2.619323 ESP Fit Center 5500 is at 4.027819 -0.270791 2.619323 ESP Fit Center 5501 is at 3.605446 -0.270791 2.619323 ESP Fit Center 5502 is at 3.394259 -0.636577 2.619323 ESP Fit Center 5503 is at 3.605446 -1.002362 2.619323 ESP Fit Center 5504 is at 4.027819 -1.002362 2.619323 ESP Fit Center 5505 is at 4.539197 -0.219404 2.520417 ESP Fit Center 5506 is at 4.233805 0.085988 2.520417 ESP Fit Center 5507 is at 2.982286 -0.636577 2.520417 ESP Fit Center 5508 is at 3.094067 -1.053749 2.520417 ESP Fit Center 5509 is at 3.399459 -1.359141 2.520417 ESP Fit Center 5510 is at 3.816632 -1.470922 2.520417 ESP Fit Center 5511 is at 4.233805 -1.359141 2.520417 ESP Fit Center 5512 is at 2.590858 -0.636577 2.358282 ESP Fit Center 5513 is at 2.664781 -1.055816 2.358282 ESP Fit Center 5514 is at 2.877634 -1.424489 2.358282 ESP Fit Center 5515 is at 3.203745 -1.698128 2.358282 ESP Fit Center 5516 is at 3.603779 -1.843729 2.358282 ESP Fit Center 5517 is at 4.029486 -1.843729 2.358282 ESP Fit Center 5518 is at 2.442232 -1.430087 2.136911 ESP Fit Center 5519 is at 2.694439 -1.758769 2.136911 ESP Fit Center 5520 is at 3.023122 -2.010976 2.136911 ESP Fit Center 5521 is at 3.405881 -2.169520 2.136911 ESP Fit Center 5522 is at 2.442232 -1.430087 -2.231781 ESP Fit Center 5523 is at 2.694439 -1.758769 -2.231781 ESP Fit Center 5524 is at 3.023122 -2.010976 -2.231781 ESP Fit Center 5525 is at 3.405881 -2.169520 -2.231781 ESP Fit Center 5526 is at 2.590858 -0.636577 -2.453153 ESP Fit Center 5527 is at 2.664781 -1.055816 -2.453153 ESP Fit Center 5528 is at 2.877634 -1.424489 -2.453153 ESP Fit Center 5529 is at 3.203745 -1.698128 -2.453153 ESP Fit Center 5530 is at 3.603779 -1.843729 -2.453153 ESP Fit Center 5531 is at 4.539197 -0.219404 -2.615288 ESP Fit Center 5532 is at 4.233805 0.085988 -2.615288 ESP Fit Center 5533 is at 3.094067 -0.219404 -2.615288 ESP Fit Center 5534 is at 2.982286 -0.636577 -2.615288 ESP Fit Center 5535 is at 3.094067 -1.053749 -2.615288 ESP Fit Center 5536 is at 3.399459 -1.359141 -2.615288 ESP Fit Center 5537 is at 3.816632 -1.470922 -2.615288 ESP Fit Center 5538 is at 4.233805 -1.359141 -2.615288 ESP Fit Center 5539 is at 4.239005 -0.636577 -2.714194 ESP Fit Center 5540 is at 4.027819 -0.270791 -2.714194 ESP Fit Center 5541 is at 3.605446 -0.270791 -2.714194 ESP Fit Center 5542 is at 3.394259 -0.636577 -2.714194 ESP Fit Center 5543 is at 3.605446 -1.002362 -2.714194 ESP Fit Center 5544 is at 4.027819 -1.002362 -2.714194 ESP Fit Center 5545 is at 3.816632 -0.636577 -2.747435 ESP Fit Center 5546 is at -4.200537 -0.156117 4.098834 ESP Fit Center 5547 is at -3.781701 -0.156117 4.077593 ESP Fit Center 5548 is at -3.991119 0.206606 4.077593 ESP Fit Center 5549 is at -4.409956 0.206606 4.077593 ESP Fit Center 5550 is at -4.619374 -0.156117 4.077593 ESP Fit Center 5551 is at -4.409956 -0.518840 4.077593 ESP Fit Center 5552 is at -3.991119 -0.518840 4.077593 ESP Fit Center 5553 is at -3.367162 -0.156117 4.014088 ESP Fit Center 5554 is at -3.478813 0.260571 4.014088 ESP Fit Center 5555 is at -3.783850 0.565608 4.014088 ESP Fit Center 5556 is at -4.200537 0.677259 4.014088 ESP Fit Center 5557 is at -4.617225 0.565608 4.014088 ESP Fit Center 5558 is at -4.922262 0.260571 4.014088 ESP Fit Center 5559 is at -5.033913 -0.156117 4.014088 ESP Fit Center 5560 is at -4.922262 -0.572805 4.014088 ESP Fit Center 5561 is at -4.617225 -0.877842 4.014088 ESP Fit Center 5562 is at -4.200537 -0.989493 4.014088 ESP Fit Center 5563 is at -3.783850 -0.877842 4.014088 ESP Fit Center 5564 is at -3.478813 -0.572805 4.014088 ESP Fit Center 5565 is at -2.961174 -0.156117 3.908970 ESP Fit Center 5566 is at -3.035917 0.267770 3.908970 ESP Fit Center 5567 is at -3.251130 0.640531 3.908970 ESP Fit Center 5568 is at -3.580856 0.917203 3.908970 ESP Fit Center 5569 is at -3.985324 1.064418 3.908970 ESP Fit Center 5570 is at -4.415751 1.064418 3.908970 ESP Fit Center 5571 is at -4.820219 0.917203 3.908970 ESP Fit Center 5572 is at -5.149945 0.640531 3.908970 ESP Fit Center 5573 is at -5.365158 0.267770 3.908970 ESP Fit Center 5574 is at -5.439901 -0.156117 3.908970 ESP Fit Center 5575 is at -5.365158 -0.580004 3.908970 ESP Fit Center 5576 is at -5.149945 -0.952764 3.908970 ESP Fit Center 5577 is at -4.820219 -1.229437 3.908970 ESP Fit Center 5578 is at -4.415751 -1.376651 3.908970 ESP Fit Center 5579 is at -3.985324 -1.376651 3.908970 ESP Fit Center 5580 is at -3.580856 -1.229437 3.908970 ESP Fit Center 5581 is at -3.251130 -0.952764 3.908970 ESP Fit Center 5582 is at -3.035917 -0.580004 3.908970 ESP Fit Center 5583 is at -2.567904 -0.156117 3.763319 ESP Fit Center 5584 is at -2.623535 0.266440 3.763319 ESP Fit Center 5585 is at -2.786636 0.660200 3.763319 ESP Fit Center 5586 is at -3.046091 0.998329 3.763319 ESP Fit Center 5587 is at -3.384221 1.257785 3.763319 ESP Fit Center 5588 is at -3.777981 1.420886 3.763319 ESP Fit Center 5589 is at -4.200537 1.476516 3.763319 ESP Fit Center 5590 is at -4.623094 1.420886 3.763319 ESP Fit Center 5591 is at -5.016854 1.257785 3.763319 ESP Fit Center 5592 is at -5.354984 0.998329 3.763319 ESP Fit Center 5593 is at -5.614439 0.660200 3.763319 ESP Fit Center 5594 is at -5.777540 0.266440 3.763319 ESP Fit Center 5595 is at -5.833171 -0.156117 3.763319 ESP Fit Center 5596 is at -5.777540 -0.578673 3.763319 ESP Fit Center 5597 is at -5.614439 -0.972433 3.763319 ESP Fit Center 5598 is at -5.354984 -1.310563 3.763319 ESP Fit Center 5599 is at -5.016854 -1.570019 3.763319 ESP Fit Center 5600 is at -4.623094 -1.733119 3.763319 ESP Fit Center 5601 is at -4.200537 -1.788750 3.763319 ESP Fit Center 5602 is at -3.777981 -1.733119 3.763319 ESP Fit Center 5603 is at -3.384221 -1.570019 3.763319 ESP Fit Center 5604 is at -3.046091 -1.310563 3.763319 ESP Fit Center 5605 is at -2.786636 -0.972433 3.763319 ESP Fit Center 5606 is at -2.623535 -0.578673 3.763319 ESP Fit Center 5607 is at -2.191387 -0.156117 3.578629 ESP Fit Center 5608 is at -2.235292 0.261609 3.578629 ESP Fit Center 5609 is at -2.365088 0.661078 3.578629 ESP Fit Center 5610 is at -2.575101 1.024832 3.578629 ESP Fit Center 5611 is at -2.856154 1.336973 3.578629 ESP Fit Center 5612 is at -3.195962 1.583858 3.578629 ESP Fit Center 5613 is at -3.579676 1.754698 3.578629 ESP Fit Center 5614 is at -3.990524 1.842027 3.578629 ESP Fit Center 5615 is at -4.410551 1.842027 3.578629 ESP Fit Center 5616 is at -4.821399 1.754698 3.578629 ESP Fit Center 5617 is at -5.205113 1.583858 3.578629 ESP Fit Center 5618 is at -5.544921 1.336973 3.578629 ESP Fit Center 5619 is at -5.825974 1.024832 3.578629 ESP Fit Center 5620 is at -6.035987 0.661078 3.578629 ESP Fit Center 5621 is at -6.165783 0.261609 3.578629 ESP Fit Center 5622 is at -6.209688 -0.156117 3.578629 ESP Fit Center 5623 is at -6.165783 -0.573843 3.578629 ESP Fit Center 5624 is at -6.035987 -0.973312 3.578629 ESP Fit Center 5625 is at -5.825974 -1.337066 3.578629 ESP Fit Center 5626 is at -5.544921 -1.649206 3.578629 ESP Fit Center 5627 is at -5.205113 -1.896092 3.578629 ESP Fit Center 5628 is at -4.821399 -2.066932 3.578629 ESP Fit Center 5629 is at -4.410551 -2.154261 3.578629 ESP Fit Center 5630 is at -3.990524 -2.154261 3.578629 ESP Fit Center 5631 is at -3.579676 -2.066932 3.578629 ESP Fit Center 5632 is at -2.235292 -0.573843 3.578629 ESP Fit Center 5633 is at -1.835487 -0.156117 3.356794 ESP Fit Center 5634 is at -1.873494 0.266179 3.356794 ESP Fit Center 5635 is at -1.986295 0.674902 3.356794 ESP Fit Center 5636 is at -2.170263 1.056916 3.356794 ESP Fit Center 5637 is at -2.419485 1.399941 3.356794 ESP Fit Center 5638 is at -2.725953 1.692954 3.356794 ESP Fit Center 5639 is at -3.079814 1.926536 3.356794 ESP Fit Center 5640 is at -3.469697 2.093180 3.356794 ESP Fit Center 5641 is at -3.883069 2.187529 3.356794 ESP Fit Center 5642 is at -4.306645 2.206552 3.356794 ESP Fit Center 5643 is at -4.726811 2.149637 3.356794 ESP Fit Center 5644 is at -5.130061 2.018613 3.356794 ESP Fit Center 5645 is at -5.503437 1.817691 3.356794 ESP Fit Center 5646 is at -5.834935 1.553329 3.356794 ESP Fit Center 5647 is at -6.113903 1.234025 3.356794 ESP Fit Center 5648 is at -6.331374 0.870040 3.356794 ESP Fit Center 5649 is at -6.480358 0.473074 3.356794 ESP Fit Center 5650 is at -6.556067 0.055885 3.356794 ESP Fit Center 5651 is at -6.556067 -0.368118 3.356794 ESP Fit Center 5652 is at -6.480358 -0.785307 3.356794 ESP Fit Center 5653 is at -6.331374 -1.182274 3.356794 ESP Fit Center 5654 is at -6.113903 -1.546259 3.356794 ESP Fit Center 5655 is at -5.834935 -1.865563 3.356794 ESP Fit Center 5656 is at -5.503437 -2.129925 3.356794 ESP Fit Center 5657 is at -5.130061 -2.330846 3.356794 ESP Fit Center 5658 is at -4.726811 -2.461871 3.356794 ESP Fit Center 5659 is at -4.306645 -2.518786 3.356794 ESP Fit Center 5660 is at -3.883069 -2.499763 3.356794 ESP Fit Center 5661 is at -1.873494 -0.578413 3.356794 ESP Fit Center 5662 is at -1.503855 -0.156117 3.100092 ESP Fit Center 5663 is at -1.535459 0.255530 3.100092 ESP Fit Center 5664 is at -1.629531 0.657528 3.100092 ESP Fit Center 5665 is at -1.783864 1.040454 3.100092 ESP Fit Center 5666 is at -1.994842 1.395335 3.100092 ESP Fit Center 5667 is at -2.257520 1.713850 3.100092 ESP Fit Center 5668 is at -2.565740 1.988535 3.100092 ESP Fit Center 5669 is at -2.912279 2.212951 3.100092 ESP Fit Center 5670 is at -3.289013 2.381839 3.100092 ESP Fit Center 5671 is at -3.687113 2.491238 3.100092 ESP Fit Center 5672 is at -4.097247 2.538586 3.100092 ESP Fit Center 5673 is at -4.509802 2.522773 3.100092 ESP Fit Center 5674 is at -4.915108 2.444168 3.100092 ESP Fit Center 5675 is at -5.303666 2.304615 3.100092 ESP Fit Center 5676 is at -5.666366 2.107385 3.100092 ESP Fit Center 5677 is at -5.994709 1.857100 3.100092 ESP Fit Center 5678 is at -6.280999 1.559627 3.100092 ESP Fit Center 5679 is at -6.518523 1.221938 3.100092 ESP Fit Center 5680 is at -6.701717 0.851949 3.100092 ESP Fit Center 5681 is at -6.826284 0.458332 3.100092 ESP Fit Center 5682 is at -6.889307 0.050312 3.100092 ESP Fit Center 5683 is at -6.889307 -0.362546 3.100092 ESP Fit Center 5684 is at -6.826284 -0.770565 3.100092 ESP Fit Center 5685 is at -6.701717 -1.164183 3.100092 ESP Fit Center 5686 is at -6.518523 -1.534172 3.100092 ESP Fit Center 5687 is at -6.280999 -1.871860 3.100092 ESP Fit Center 5688 is at 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2.811157 ESP Fit Center 5707 is at -4.926459 2.755393 2.811157 ESP Fit Center 5708 is at -5.324598 2.626030 2.811157 ESP Fit Center 5709 is at -5.700859 2.442515 2.811157 ESP Fit Center 5710 is at -6.047917 2.208421 2.811157 ESP Fit Center 5711 is at -6.359019 1.928304 2.811157 ESP Fit Center 5712 is at -6.628108 1.607616 2.811157 ESP Fit Center 5713 is at -6.849947 1.252599 2.811157 ESP Fit Center 5714 is at -7.020219 0.870163 2.811157 ESP Fit Center 5715 is at -7.135608 0.467752 2.811157 ESP Fit Center 5716 is at -7.193870 0.053197 2.811157 ESP Fit Center 5717 is at -7.193870 -0.365431 2.811157 ESP Fit Center 5718 is at -7.135608 -0.779985 2.811157 ESP Fit Center 5719 is at -7.020219 -1.182397 2.811157 ESP Fit Center 5720 is at -6.849947 -1.564833 2.811157 ESP Fit Center 5721 is at -6.628108 -1.919850 2.811157 ESP Fit Center 5722 is at -6.359019 -2.240538 2.811157 ESP Fit Center 5723 is at -6.047917 -2.520655 2.811157 ESP Fit Center 5724 is at -5.700859 -2.754749 2.811157 ESP Fit Center 5725 is at -5.324598 -2.938264 2.811157 ESP Fit Center 5726 is at -4.926459 -3.067627 2.811157 ESP Fit Center 5727 is at -4.514190 -3.140321 2.811157 ESP Fit Center 5728 is at -4.095817 -3.154931 2.811157 ESP Fit Center 5729 is at -2.503418 2.643459 2.492952 ESP Fit Center 5730 is at -2.875353 2.837498 2.492952 ESP Fit Center 5731 is at -3.269048 2.982381 2.492952 ESP Fit Center 5732 is at -3.678037 3.075730 2.492952 ESP Fit Center 5733 is at -4.095607 3.116013 2.492952 ESP Fit Center 5734 is at -4.514899 3.102567 2.492952 ESP Fit Center 5735 is at -4.929029 3.035613 2.492952 ESP Fit Center 5736 is at -5.331198 2.916252 2.492952 ESP Fit Center 5737 is at -5.714801 2.746442 2.492952 ESP Fit Center 5738 is at -6.073540 2.528973 2.492952 ESP Fit Center 5739 is at -6.401524 2.267414 2.492952 ESP Fit Center 5740 is at -6.693368 1.966061 2.492952 ESP Fit Center 5741 is at -6.944280 1.629862 2.492952 ESP Fit Center 5742 is at -7.150140 1.264337 2.492952 ESP Fit Center 5743 is at -7.307567 0.875488 2.492952 ESP Fit Center 5744 is at -7.413977 0.469700 2.492952 ESP Fit Center 5745 is at -7.467623 0.053637 2.492952 ESP Fit Center 5746 is at -7.467623 -0.365871 2.492952 ESP Fit Center 5747 is at -7.413977 -0.781934 2.492952 ESP Fit Center 5748 is at -7.307567 -1.187722 2.492952 ESP Fit Center 5749 is at -7.150140 -1.576570 2.492952 ESP Fit Center 5750 is at -6.944280 -1.942095 2.492952 ESP Fit Center 5751 is at -6.693368 -2.278294 2.492952 ESP Fit Center 5752 is at -6.401524 -2.579648 2.492952 ESP Fit Center 5753 is at -6.073540 -2.841206 2.492952 ESP Fit Center 5754 is at -5.714801 -3.058676 2.492952 ESP Fit Center 5755 is at -5.331198 -3.228486 2.492952 ESP Fit Center 5756 is at -4.929029 -3.347847 2.492952 ESP Fit Center 5757 is at -4.514899 -3.414801 2.492952 ESP Fit Center 5758 is at -4.095607 -3.428246 2.492952 ESP Fit Center 5759 is at -2.880110 3.099703 2.148745 ESP Fit Center 5760 is at -3.274454 3.233021 2.148745 ESP Fit Center 5761 is at -3.681798 3.318764 2.148745 ESP Fit Center 5762 is at -4.096424 3.355727 2.148745 ESP Fit Center 5763 is at -4.512512 3.343392 2.148745 ESP Fit Center 5764 is at -4.924220 3.281931 2.148745 ESP Fit Center 5765 is at -5.325769 3.172207 2.148745 ESP Fit Center 5766 is at -5.711523 3.015761 2.148745 ESP Fit Center 5767 is at -6.076066 2.814789 2.148745 ESP Fit Center 5768 is at -6.414280 2.572112 2.148745 ESP Fit Center 5769 is at -6.721418 2.291137 2.148745 ESP Fit Center 5770 is at -6.993169 1.975807 2.148745 ESP Fit Center 5771 is at -7.225717 1.630550 2.148745 ESP Fit Center 5772 is at -7.415798 1.260212 2.148745 ESP Fit Center 5773 is at -7.560744 0.869992 2.148745 ESP Fit Center 5774 is at -7.658521 0.465367 2.148745 ESP Fit Center 5775 is at -7.707754 0.052018 2.148745 ESP Fit Center 5776 is at -7.707754 -0.364252 2.148745 ESP Fit Center 5777 is at -7.658521 -0.777601 2.148745 ESP Fit Center 5778 is at -7.560744 -1.182225 2.148745 ESP Fit Center 5779 is at -7.415798 -1.572446 2.148745 ESP Fit Center 5780 is at -7.225717 -1.942784 2.148745 ESP Fit Center 5781 is at -6.993169 -2.288041 2.148745 ESP Fit Center 5782 is at -6.721418 -2.603370 2.148745 ESP Fit Center 5783 is at -6.414280 -2.884346 2.148745 ESP Fit Center 5784 is at -6.076066 -3.127023 2.148745 ESP Fit Center 5785 is at -5.711523 -3.327995 2.148745 ESP Fit Center 5786 is at -5.325769 -3.484441 2.148745 ESP Fit Center 5787 is at -4.924220 -3.594165 2.148745 ESP Fit Center 5788 is at -4.512512 -3.655626 2.148745 ESP Fit Center 5789 is at -4.096424 -3.667961 2.148745 ESP Fit Center 5790 is at -3.373447 3.467603 1.782065 ESP Fit Center 5791 is at -3.784376 3.537423 1.782065 ESP Fit Center 5792 is at -4.200537 3.560794 1.782065 ESP Fit Center 5793 is at -4.616699 3.537423 1.782065 ESP Fit Center 5794 is at -5.027628 3.467603 1.782065 ESP Fit Center 5795 is at -5.428155 3.352213 1.782065 ESP Fit Center 5796 is at -5.813245 3.192704 1.782065 ESP Fit Center 5797 is at -6.178053 2.991081 1.782065 ESP Fit Center 5798 is at -6.517993 2.749881 1.782065 ESP Fit Center 5799 is at -6.828790 2.472136 1.782065 ESP Fit Center 5800 is at -7.106535 2.161339 1.782065 ESP Fit Center 5801 is at -7.347736 1.821399 1.782065 ESP Fit Center 5802 is at -7.549358 1.456590 1.782065 ESP Fit Center 5803 is at -7.708868 1.071501 1.782065 ESP Fit Center 5804 is at -7.824258 0.670974 1.782065 ESP Fit Center 5805 is at -7.894077 0.260045 1.782065 ESP Fit Center 5806 is at -7.917448 -0.156117 1.782065 ESP Fit Center 5807 is at -7.894077 -0.572279 1.782065 ESP Fit Center 5808 is at -7.824258 -0.983207 1.782065 ESP Fit Center 5809 is at -7.708868 -1.383735 1.782065 ESP Fit Center 5810 is at -7.549358 -1.768824 1.782065 ESP Fit Center 5811 is at -7.347736 -2.133633 1.782065 ESP Fit Center 5812 is at -7.106535 -2.473573 1.782065 ESP Fit Center 5813 is at -6.828790 -2.784370 1.782065 ESP Fit Center 5814 is at -6.517993 -3.062115 1.782065 ESP Fit Center 5815 is at -6.178053 -3.303315 1.782065 ESP Fit Center 5816 is at -5.813245 -3.504938 1.782065 ESP Fit Center 5817 is at -5.428155 -3.664447 1.782065 ESP Fit Center 5818 is at -5.027628 -3.779837 1.782065 ESP Fit Center 5819 is at -4.616699 -3.849657 1.782065 ESP Fit Center 5820 is at -4.200537 -3.873028 1.782065 ESP Fit Center 5821 is at -3.784376 -3.849657 1.782065 ESP Fit Center 5822 is at -3.481192 3.658952 1.396677 ESP Fit Center 5823 is at -3.890784 3.713800 1.396677 ESP Fit Center 5824 is at -4.303886 3.724801 1.396677 ESP Fit Center 5825 is at -4.715817 3.691830 1.396677 ESP Fit Center 5826 is at -5.121909 3.615259 1.396677 ESP Fit Center 5827 is at -5.517562 3.495958 1.396677 ESP Fit Center 5828 is at -5.898293 3.335277 1.396677 ESP Fit Center 5829 is at -6.259787 3.135037 1.396677 ESP Fit Center 5830 is at -6.597949 2.897507 1.396677 ESP Fit Center 5831 is at -6.908948 2.625379 1.396677 ESP Fit Center 5832 is at -7.189259 2.321735 1.396677 ESP Fit Center 5833 is at -7.435707 1.990015 1.396677 ESP Fit Center 5834 is at -7.645499 1.633980 1.396677 ESP Fit Center 5835 is at -7.816258 1.257661 1.396677 ESP Fit Center 5836 is at -7.946050 0.865325 1.396677 ESP Fit Center 5837 is at -8.033403 0.461414 1.396677 ESP Fit Center 5838 is at -8.077329 0.050507 1.396677 ESP Fit Center 5839 is at -8.077329 -0.362741 1.396677 ESP Fit Center 5840 is at -8.033403 -0.773648 1.396677 ESP Fit Center 5841 is at -7.946050 -1.177558 1.396677 ESP Fit Center 5842 is at -7.816258 -1.569895 1.396677 ESP Fit Center 5843 is at -7.645499 -1.946213 1.396677 ESP Fit Center 5844 is at -7.435707 -2.302249 1.396677 ESP Fit Center 5845 is at -7.189259 -2.633968 1.396677 ESP Fit Center 5846 is at -6.908948 -2.937612 1.396677 ESP Fit Center 5847 is at -6.597949 -3.209741 1.396677 ESP Fit Center 5848 is at -6.259787 -3.447271 1.396677 ESP Fit Center 5849 is at -5.898293 -3.647511 1.396677 ESP Fit Center 5850 is at -5.517562 -3.808192 1.396677 ESP Fit Center 5851 is at -5.121909 -3.927493 1.396677 ESP Fit Center 5852 is at -4.715817 -4.004063 1.396677 ESP Fit Center 5853 is at -4.303886 -4.037035 1.396677 ESP Fit Center 5854 is at -3.890784 -4.026034 1.396677 ESP Fit Center 5855 is at -3.367261 3.764141 0.996535 ESP Fit Center 5856 is at -3.781604 3.829767 0.996535 ESP Fit Center 5857 is at -4.200537 3.851722 0.996535 ESP Fit Center 5858 is at -4.619471 3.829767 0.996535 ESP Fit Center 5859 is at -5.033814 3.764141 0.996535 ESP Fit Center 5860 is at -5.439028 3.655565 0.996535 ESP Fit Center 5861 is at -5.830673 3.505226 0.996535 ESP Fit Center 5862 is at -6.204457 3.314774 0.996535 ESP Fit Center 5863 is at -6.556286 3.086293 0.996535 ESP Fit Center 5864 is at -6.882305 2.822288 0.996535 ESP Fit Center 5865 is at -7.178942 2.525651 0.996535 ESP Fit Center 5866 is at -7.442948 2.199632 0.996535 ESP Fit Center 5867 is at -7.671428 1.847803 0.996535 ESP Fit Center 5868 is at -7.861881 1.474018 0.996535 ESP Fit Center 5869 is at -8.012219 1.082374 0.996535 ESP Fit Center 5870 is at -8.120796 0.677160 0.996535 ESP Fit Center 5871 is at -8.186421 0.262816 0.996535 ESP Fit Center 5872 is at -8.208377 -0.156117 0.996535 ESP Fit Center 5873 is at -8.186421 -0.575050 0.996535 ESP Fit Center 5874 is at -8.120796 -0.989394 0.996535 ESP Fit Center 5875 is at -8.012219 -1.394607 0.996535 ESP Fit Center 5876 is at -7.861881 -1.786252 0.996535 ESP Fit Center 5877 is at -7.671428 -2.160037 0.996535 ESP Fit Center 5878 is at -7.442948 -2.511866 0.996535 ESP Fit Center 5879 is at -7.178942 -2.837885 0.996535 ESP Fit Center 5880 is at -6.882305 -3.134522 0.996535 ESP Fit Center 5881 is at -6.556286 -3.398527 0.996535 ESP Fit Center 5882 is at -6.204457 -3.627007 0.996535 ESP Fit Center 5883 is at -5.830673 -3.817460 0.996535 ESP Fit Center 5884 is at -5.439028 -3.967799 0.996535 ESP Fit Center 5885 is at -5.033814 -4.076375 0.996535 ESP Fit Center 5886 is at -4.619471 -4.142001 0.996535 ESP Fit Center 5887 is at -4.200537 -4.163956 0.996535 ESP Fit Center 5888 is at -3.781604 -4.142001 0.996535 ESP Fit Center 5889 is at -3.580856 3.888951 0.585745 ESP Fit Center 5890 is at -3.993268 3.930890 0.585745 ESP Fit Center 5891 is at -4.407807 3.930890 0.585745 ESP Fit Center 5892 is at -4.820219 3.888951 0.585745 ESP Fit Center 5893 is at -5.226273 3.805505 0.585745 ESP Fit Center 5894 is at -5.621800 3.681408 0.585745 ESP Fit Center 5895 is at -6.002744 3.517932 0.585745 ESP Fit Center 5896 is at -6.365195 3.316755 0.585745 ESP Fit Center 5897 is at -6.705434 3.079942 0.585745 ESP Fit Center 5898 is at -7.019968 2.809923 0.585745 ESP Fit Center 5899 is at -7.305572 2.509468 0.585745 ESP Fit Center 5900 is at -7.559314 2.181661 0.585745 ESP Fit Center 5901 is at -7.778590 1.829864 0.585745 ESP Fit Center 5902 is at -7.961151 1.457689 0.585745 ESP Fit Center 5903 is at -8.105122 1.068955 0.585745 ESP Fit Center 5904 is at -8.209028 0.667649 0.585745 ESP Fit Center 5905 is at -8.271800 0.257890 0.585745 ESP Fit Center 5906 is at -8.292796 -0.156117 0.585745 ESP Fit Center 5907 is at -8.271800 -0.570124 0.585745 ESP Fit Center 5908 is at -8.209028 -0.979883 0.585745 ESP Fit Center 5909 is at -8.105122 -1.381188 0.585745 ESP Fit Center 5910 is at -7.961151 -1.769923 0.585745 ESP Fit Center 5911 is at -7.778590 -2.142098 0.585745 ESP Fit Center 5912 is at -7.559314 -2.493894 0.585745 ESP Fit Center 5913 is at -7.305572 -2.821702 0.585745 ESP Fit Center 5914 is at -7.019968 -3.122157 0.585745 ESP Fit Center 5915 is at -6.705434 -3.392176 0.585745 ESP Fit Center 5916 is at -6.365195 -3.628989 0.585745 ESP Fit Center 5917 is at -6.002744 -3.830165 0.585745 ESP Fit Center 5918 is at -5.621800 -3.993641 0.585745 ESP Fit Center 5919 is at -5.226273 -4.117739 0.585745 ESP Fit Center 5920 is at -4.820219 -4.201185 0.585745 ESP Fit Center 5921 is at -4.407807 -4.243123 0.585745 ESP Fit Center 5922 is at -3.993268 -4.243123 0.585745 ESP Fit Center 5923 is at -3.574431 3.930890 0.168521 ESP Fit Center 5924 is at -3.991119 3.973263 0.168521 ESP Fit Center 5925 is at -4.409956 3.973263 0.168521 ESP Fit Center 5926 is at -4.826644 3.930890 0.168521 ESP Fit Center 5927 is at -5.236907 3.846578 0.168521 ESP Fit Center 5928 is at -5.636536 3.721194 0.168521 ESP Fit Center 5929 is at -6.021429 3.556023 0.168521 ESP Fit Center 5930 is at -6.387638 3.352761 0.168521 ESP Fit Center 5931 is at -6.731404 3.113493 0.168521 ESP Fit Center 5932 is at -7.049200 2.840674 0.168521 ESP Fit Center 5933 is at -7.337764 2.537104 0.168521 ESP Fit Center 5934 is at -7.594137 2.205898 0.168521 ESP Fit Center 5935 is at -7.815686 1.850455 0.168521 ESP Fit Center 5936 is at -8.000140 1.474421 0.168521 ESP Fit Center 5937 is at -8.145604 1.081656 0.168521 ESP Fit Center 5938 is at -8.250587 0.676189 0.168521 ESP Fit Center 5939 is at -8.314010 0.262182 0.168521 ESP Fit Center 5940 is at -8.335224 -0.156117 0.168521 ESP Fit Center 5941 is at -8.314010 -0.574416 0.168521 ESP Fit Center 5942 is at -8.250587 -0.988423 0.168521 ESP Fit Center 5943 is at -8.145604 -1.393889 0.168521 ESP Fit Center 5944 is at -8.000140 -1.786655 0.168521 ESP Fit Center 5945 is at -7.815686 -2.162688 0.168521 ESP Fit Center 5946 is at -7.594137 -2.518132 0.168521 ESP Fit Center 5947 is at -7.337764 -2.849338 0.168521 ESP Fit Center 5948 is at -7.049200 -3.152908 0.168521 ESP Fit Center 5949 is at -6.731404 -3.425727 0.168521 ESP Fit Center 5950 is at -6.387638 -3.664995 0.168521 ESP Fit Center 5951 is at -6.021429 -3.868257 0.168521 ESP Fit Center 5952 is at -5.636536 -4.033428 0.168521 ESP Fit Center 5953 is at -5.236907 -4.158812 0.168521 ESP Fit Center 5954 is at -4.826644 -4.243123 0.168521 ESP Fit Center 5955 is at -4.409956 -4.285496 0.168521 ESP Fit Center 5956 is at -3.574431 3.930890 -0.250854 ESP Fit Center 5957 is at -3.991119 3.973263 -0.250854 ESP Fit Center 5958 is at -4.409956 3.973263 -0.250854 ESP Fit Center 5959 is at -4.826644 3.930890 -0.250854 ESP Fit Center 5960 is at -5.236907 3.846578 -0.250854 ESP Fit Center 5961 is at -5.636536 3.721194 -0.250854 ESP Fit Center 5962 is at -6.021429 3.556023 -0.250854 ESP Fit Center 5963 is at -6.387638 3.352761 -0.250854 ESP Fit Center 5964 is at -6.731404 3.113493 -0.250854 ESP Fit Center 5965 is at -7.049200 2.840674 -0.250854 ESP Fit Center 5966 is at -7.337764 2.537104 -0.250854 ESP Fit Center 5967 is at -7.594137 2.205898 -0.250854 ESP Fit Center 5968 is at -7.815686 1.850455 -0.250854 ESP Fit Center 5969 is at -8.000140 1.474421 -0.250854 ESP Fit Center 5970 is at -8.145604 1.081656 -0.250854 ESP Fit Center 5971 is at -8.250587 0.676189 -0.250854 ESP Fit Center 5972 is at -8.314010 0.262182 -0.250854 ESP Fit Center 5973 is at -8.335224 -0.156117 -0.250854 ESP Fit Center 5974 is at -8.314010 -0.574416 -0.250854 ESP Fit Center 5975 is at -8.250587 -0.988423 -0.250854 ESP Fit Center 5976 is at -8.145604 -1.393889 -0.250854 ESP Fit Center 5977 is at -8.000140 -1.786655 -0.250854 ESP Fit Center 5978 is at -7.815686 -2.162688 -0.250854 ESP Fit Center 5979 is at -7.594137 -2.518132 -0.250854 ESP Fit Center 5980 is at -7.337764 -2.849338 -0.250854 ESP Fit Center 5981 is at -7.049200 -3.152908 -0.250854 ESP Fit Center 5982 is at -6.731404 -3.425727 -0.250854 ESP Fit Center 5983 is at -6.387638 -3.664995 -0.250854 ESP Fit Center 5984 is at -6.021429 -3.868257 -0.250854 ESP Fit Center 5985 is at -5.636536 -4.033428 -0.250854 ESP Fit Center 5986 is at -5.236907 -4.158812 -0.250854 ESP Fit Center 5987 is at -4.826644 -4.243123 -0.250854 ESP Fit Center 5988 is at -4.409956 -4.285496 -0.250854 ESP Fit Center 5989 is at -3.580856 3.888951 -0.668077 ESP Fit Center 5990 is at -3.993268 3.930890 -0.668077 ESP Fit Center 5991 is at -4.407807 3.930890 -0.668077 ESP Fit Center 5992 is at -4.820219 3.888951 -0.668077 ESP Fit Center 5993 is at -5.226273 3.805505 -0.668077 ESP Fit Center 5994 is at -5.621800 3.681408 -0.668077 ESP Fit Center 5995 is at -6.002744 3.517932 -0.668077 ESP Fit Center 5996 is at -6.365195 3.316755 -0.668077 ESP Fit Center 5997 is at -6.705434 3.079942 -0.668077 ESP Fit Center 5998 is at -7.019968 2.809923 -0.668077 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6269 is at -6.480358 0.473074 -3.439127 ESP Fit Center 6270 is at -6.556067 0.055885 -3.439127 ESP Fit Center 6271 is at -6.556067 -0.368118 -3.439127 ESP Fit Center 6272 is at -6.480358 -0.785307 -3.439127 ESP Fit Center 6273 is at -6.331374 -1.182274 -3.439127 ESP Fit Center 6274 is at -6.113903 -1.546259 -3.439127 ESP Fit Center 6275 is at -5.834935 -1.865563 -3.439127 ESP Fit Center 6276 is at -5.503437 -2.129925 -3.439127 ESP Fit Center 6277 is at -5.130061 -2.330846 -3.439127 ESP Fit Center 6278 is at -4.726811 -2.461871 -3.439127 ESP Fit Center 6279 is at -4.306645 -2.518786 -3.439127 ESP Fit Center 6280 is at -3.883069 -2.499763 -3.439127 ESP Fit Center 6281 is at -3.469697 -2.405413 -3.439127 ESP Fit Center 6282 is at -3.079814 -2.238770 -3.439127 ESP Fit Center 6283 is at -2.725953 -2.005188 -3.439127 ESP Fit Center 6284 is at -2.419485 -1.712175 -3.439127 ESP Fit Center 6285 is at -2.170263 -1.369150 -3.439127 ESP Fit Center 6286 is at -1.986295 -0.987136 -3.439127 ESP Fit Center 6287 is at -1.873494 -0.578413 -3.439127 ESP Fit Center 6288 is at -2.191387 -0.156117 -3.660961 ESP Fit Center 6289 is at -2.235292 0.261609 -3.660961 ESP Fit Center 6290 is at -2.365088 0.661078 -3.660961 ESP Fit Center 6291 is at -2.575101 1.024832 -3.660961 ESP Fit Center 6292 is at -2.856154 1.336973 -3.660961 ESP Fit Center 6293 is at -3.195962 1.583858 -3.660961 ESP Fit Center 6294 is at -3.579676 1.754698 -3.660961 ESP Fit Center 6295 is at -3.990524 1.842027 -3.660961 ESP Fit Center 6296 is at -4.410551 1.842027 -3.660961 ESP Fit Center 6297 is at -4.821399 1.754698 -3.660961 ESP Fit Center 6298 is at -5.205113 1.583858 -3.660961 ESP Fit Center 6299 is at -5.544921 1.336973 -3.660961 ESP Fit Center 6300 is at -5.825974 1.024832 -3.660961 ESP Fit Center 6301 is at -6.035987 0.661078 -3.660961 ESP Fit Center 6302 is at -6.165783 0.261609 -3.660961 ESP Fit Center 6303 is at -6.209688 -0.156117 -3.660961 ESP Fit Center 6304 is at -6.165783 -0.573843 -3.660961 ESP Fit Center 6305 is at -6.035987 -0.973312 -3.660961 ESP Fit Center 6306 is at -5.825974 -1.337066 -3.660961 ESP Fit Center 6307 is at -5.544921 -1.649206 -3.660961 ESP Fit Center 6308 is at -5.205113 -1.896092 -3.660961 ESP Fit Center 6309 is at -4.821399 -2.066932 -3.660961 ESP Fit Center 6310 is at -4.410551 -2.154261 -3.660961 ESP Fit Center 6311 is at -3.990524 -2.154261 -3.660961 ESP Fit Center 6312 is at -3.579676 -2.066932 -3.660961 ESP Fit Center 6313 is at -3.195962 -1.896092 -3.660961 ESP Fit Center 6314 is at -2.856154 -1.649206 -3.660961 ESP Fit Center 6315 is at -2.575101 -1.337066 -3.660961 ESP Fit Center 6316 is at -2.365088 -0.973312 -3.660961 ESP Fit Center 6317 is at -2.235292 -0.573843 -3.660961 ESP Fit Center 6318 is at -2.567904 -0.156117 -3.845652 ESP Fit Center 6319 is at -2.623535 0.266440 -3.845652 ESP Fit Center 6320 is at -2.786636 0.660200 -3.845652 ESP Fit Center 6321 is at -3.046091 0.998329 -3.845652 ESP Fit Center 6322 is at -3.384221 1.257785 -3.845652 ESP Fit Center 6323 is at -3.777981 1.420886 -3.845652 ESP Fit Center 6324 is at -4.200537 1.476516 -3.845652 ESP Fit Center 6325 is at -4.623094 1.420886 -3.845652 ESP Fit Center 6326 is at -5.016854 1.257785 -3.845652 ESP Fit Center 6327 is at -5.354984 0.998329 -3.845652 ESP Fit Center 6328 is at -5.614439 0.660200 -3.845652 ESP Fit Center 6329 is at -5.777540 0.266440 -3.845652 ESP Fit Center 6330 is at -5.833171 -0.156117 -3.845652 ESP Fit Center 6331 is at -5.777540 -0.578673 -3.845652 ESP Fit Center 6332 is at -5.614439 -0.972433 -3.845652 ESP Fit Center 6333 is at -5.354984 -1.310563 -3.845652 ESP Fit Center 6334 is at -5.016854 -1.570019 -3.845652 ESP Fit Center 6335 is at -4.623094 -1.733119 -3.845652 ESP Fit Center 6336 is at -4.200537 -1.788750 -3.845652 ESP Fit Center 6337 is at -3.777981 -1.733119 -3.845652 ESP Fit Center 6338 is at -3.384221 -1.570019 -3.845652 ESP Fit Center 6339 is at -3.046091 -1.310563 -3.845652 ESP Fit Center 6340 is at -2.786636 -0.972433 -3.845652 ESP Fit Center 6341 is at -2.623535 -0.578673 -3.845652 ESP Fit Center 6342 is at -2.961174 -0.156117 -3.991303 ESP Fit Center 6343 is at -3.035917 0.267770 -3.991303 ESP Fit Center 6344 is at -3.251130 0.640531 -3.991303 ESP Fit Center 6345 is at -3.580856 0.917203 -3.991303 ESP Fit Center 6346 is at -3.985324 1.064418 -3.991303 ESP Fit Center 6347 is at -4.415751 1.064418 -3.991303 ESP Fit Center 6348 is at -4.820219 0.917203 -3.991303 ESP Fit Center 6349 is at -5.149945 0.640531 -3.991303 ESP Fit Center 6350 is at -5.365158 0.267770 -3.991303 ESP Fit Center 6351 is at -5.439901 -0.156117 -3.991303 ESP Fit Center 6352 is at -5.365158 -0.580004 -3.991303 ESP Fit Center 6353 is at -5.149945 -0.952764 -3.991303 ESP Fit Center 6354 is at -4.820219 -1.229437 -3.991303 ESP Fit Center 6355 is at -4.415751 -1.376651 -3.991303 ESP Fit Center 6356 is at -3.985324 -1.376651 -3.991303 ESP Fit Center 6357 is at -3.580856 -1.229437 -3.991303 ESP Fit Center 6358 is at -3.251130 -0.952764 -3.991303 ESP Fit Center 6359 is at -3.035917 -0.580004 -3.991303 ESP Fit Center 6360 is at -3.367162 -0.156117 -4.096420 ESP Fit Center 6361 is at -3.478813 0.260571 -4.096420 ESP Fit Center 6362 is at -3.783850 0.565608 -4.096420 ESP Fit Center 6363 is at -4.200537 0.677259 -4.096420 ESP Fit Center 6364 is at -4.617225 0.565608 -4.096420 ESP Fit Center 6365 is at -4.922262 0.260571 -4.096420 ESP Fit Center 6366 is at -5.033913 -0.156117 -4.096420 ESP Fit Center 6367 is at -4.922262 -0.572805 -4.096420 ESP Fit Center 6368 is at -4.617225 -0.877842 -4.096420 ESP Fit Center 6369 is at -4.200537 -0.989493 -4.096420 ESP Fit Center 6370 is at -3.783850 -0.877842 -4.096420 ESP Fit Center 6371 is at -3.478813 -0.572805 -4.096420 ESP Fit Center 6372 is at -3.781701 -0.156117 -4.159925 ESP Fit Center 6373 is at -3.991119 0.206606 -4.159925 ESP Fit Center 6374 is at -4.409956 0.206606 -4.159925 ESP Fit Center 6375 is at -4.619374 -0.156117 -4.159925 ESP Fit Center 6376 is at -4.409956 -0.518840 -4.159925 ESP Fit Center 6377 is at -3.991119 -0.518840 -4.159925 ESP Fit Center 6378 is at -4.200537 -0.156117 -4.181166 ESP Fit Center 6379 is at 3.080139 3.390908 2.075538 ESP Fit Center 6380 is at 2.777584 3.693463 2.075538 ESP Fit Center 6381 is at 3.564317 2.977609 1.875932 ESP Fit Center 6382 is at 3.491946 3.388044 1.875932 ESP Fit Center 6383 is at 3.283563 3.748975 1.875932 ESP Fit Center 6384 is at 2.964301 4.016867 1.875932 ESP Fit Center 6385 is at 2.572669 4.159410 1.875932 ESP Fit Center 6386 is at 3.891636 2.977609 1.607308 ESP Fit Center 6387 is at 3.834998 3.389684 1.607308 ESP Fit Center 6388 is at 3.669284 3.771196 1.607308 ESP Fit Center 6389 is at 3.406784 4.093852 1.607308 ESP Fit Center 6390 is at 3.066966 4.333722 1.607308 ESP Fit Center 6391 is at 2.675034 4.473014 1.607308 ESP Fit Center 6392 is at 2.260055 4.501400 1.607308 ESP Fit Center 6393 is at 4.160260 2.977609 1.279989 ESP Fit Center 6394 is at 4.111849 3.391790 1.279989 ESP Fit Center 6395 is at 3.969227 3.783641 1.279989 ESP Fit Center 6396 is at 3.740082 4.132040 1.279989 ESP Fit Center 6397 is at 3.436767 4.418202 1.279989 ESP Fit Center 6398 is at 3.075635 4.626702 1.279989 ESP Fit Center 6399 is at 2.676153 4.746299 1.279989 ESP Fit Center 6400 is at 2.259859 4.770545 1.279989 ESP Fit Center 6401 is at 4.359865 2.977609 0.906554 ESP Fit Center 6402 is at 4.316257 3.392514 0.906554 ESP Fit Center 6403 is at 4.187338 3.789285 0.906554 ESP Fit Center 6404 is at 3.978744 4.150582 0.906554 ESP Fit Center 6405 is at 3.699589 4.460614 0.906554 ESP Fit Center 6406 is at 3.362075 4.705832 0.906554 ESP Fit Center 6407 is at 2.980954 4.875519 0.906554 ESP Fit Center 6408 is at 2.572880 4.962257 0.906554 ESP Fit Center 6409 is at 2.155691 4.962257 0.906554 ESP Fit Center 6410 is at 4.442075 3.390908 0.501353 ESP Fit Center 6411 is at 4.321521 3.788323 0.501353 ESP Fit Center 6412 is at 4.125751 4.154583 0.501353 ESP Fit Center 6413 is at 3.862289 4.475613 0.501353 ESP Fit Center 6414 is at 3.541259 4.739075 0.501353 ESP Fit Center 6415 is at 3.174999 4.934845 0.501353 ESP Fit Center 6416 is at 2.777584 5.055399 0.501353 ESP Fit Center 6417 is at 2.364286 5.096106 0.501353 ESP Fit Center 6418 is at 4.485252 3.386392 0.079958 ESP Fit Center 6419 is at 4.369560 3.780400 0.079958 ESP Fit Center 6420 is at 4.181393 4.145394 0.079958 ESP Fit Center 6421 is at 3.927551 4.468180 0.079958 ESP Fit Center 6422 is at 3.617208 4.737094 0.079958 ESP Fit Center 6423 is at 3.261582 4.942415 0.079958 ESP Fit Center 6424 is at 2.873525 5.076722 0.079958 ESP Fit Center 6425 is at 2.467062 5.135163 0.079958 ESP Fit Center 6426 is at 4.442075 3.390908 -0.341437 ESP Fit Center 6427 is at 4.321521 3.788323 -0.341437 ESP Fit Center 6428 is at 4.125751 4.154583 -0.341437 ESP Fit Center 6429 is at 3.862289 4.475613 -0.341437 ESP Fit Center 6430 is at 3.541259 4.739075 -0.341437 ESP Fit Center 6431 is at 3.174999 4.934845 -0.341437 ESP Fit Center 6432 is at 2.777584 5.055399 -0.341437 ESP Fit Center 6433 is at 2.364286 5.096106 -0.341437 ESP Fit Center 6434 is at 4.316257 3.392514 -0.746638 ESP Fit Center 6435 is at 4.187338 3.789285 -0.746638 ESP Fit Center 6436 is at 3.978744 4.150582 -0.746638 ESP Fit Center 6437 is at 3.699589 4.460614 -0.746638 ESP Fit Center 6438 is at 3.362075 4.705832 -0.746638 ESP Fit Center 6439 is at 2.980954 4.875519 -0.746638 ESP Fit Center 6440 is at 2.572880 4.962257 -0.746638 ESP Fit Center 6441 is at 2.155691 4.962257 -0.746638 ESP Fit Center 6442 is at 4.160260 2.977609 -1.120074 ESP Fit Center 6443 is at 4.111849 3.391790 -1.120074 ESP Fit Center 6444 is at 3.969227 3.783641 -1.120074 ESP Fit Center 6445 is at 3.740082 4.132040 -1.120074 ESP Fit Center 6446 is at 3.436767 4.418202 -1.120074 ESP Fit Center 6447 is at 3.075635 4.626702 -1.120074 ESP Fit Center 6448 is at 2.676153 4.746299 -1.120074 ESP Fit Center 6449 is at 2.259859 4.770545 -1.120074 ESP Fit Center 6450 is at 3.891636 2.977609 -1.447393 ESP Fit Center 6451 is at 3.834998 3.389684 -1.447393 ESP Fit Center 6452 is at 3.669284 3.771196 -1.447393 ESP Fit Center 6453 is at 3.406784 4.093852 -1.447393 ESP Fit Center 6454 is at 3.066966 4.333722 -1.447393 ESP Fit Center 6455 is at 2.675034 4.473014 -1.447393 ESP Fit Center 6456 is at 2.260055 4.501400 -1.447393 ESP Fit Center 6457 is at 3.491946 3.388044 -1.716017 ESP Fit Center 6458 is at 3.283563 3.748975 -1.716017 ESP Fit Center 6459 is at 2.964301 4.016867 -1.716017 ESP Fit Center 6460 is at 2.572669 4.159410 -1.716017 ESP Fit Center 6461 is at -2.294472 -2.113052 3.908231 ESP Fit Center 6462 is at -2.083775 -1.748114 3.866727 ESP Fit Center 6463 is at -2.505170 -1.748114 3.866727 ESP Fit Center 6464 is at -2.715867 -2.113052 3.866727 ESP Fit Center 6465 is at -2.505170 -2.477991 3.866727 ESP Fit Center 6466 is at -1.881174 -1.397199 3.743811 ESP Fit Center 6467 is at -2.294472 -1.286456 3.743811 ESP Fit Center 6468 is at -2.707770 -1.397199 3.743811 ESP Fit Center 6469 is at -3.010325 -1.699754 3.743811 ESP Fit Center 6470 is at -3.121068 -2.113052 3.743811 ESP Fit Center 6471 is at -3.010325 -2.526351 3.743811 ESP Fit Center 6472 is at -2.707770 -2.828906 3.743811 ESP Fit Center 6473 is at -2.086089 -0.931252 3.544205 ESP Fit Center 6474 is at -3.494504 -2.113052 3.544205 ESP Fit Center 6475 is at -3.422133 -2.523487 3.544205 ESP Fit Center 6476 is at -3.213750 -2.884418 3.544205 ESP Fit Center 6477 is at -2.894488 -3.152310 3.544205 ESP Fit Center 6478 is at -3.695375 -2.721551 3.275582 ESP Fit Center 6479 is at -3.479255 -3.076945 3.275582 ESP Fit Center 6480 is at -3.175265 -3.360852 3.275582 ESP Fit Center 6481 is at -3.794987 -3.099956 2.948263 ESP Fit Center 6482 is at -3.526945 -3.419397 2.948263 ESP Fit Center 6483 is at -3.192459 -3.668412 2.948263 ESP Fit Center 6484 is at -3.629776 -3.596057 2.574827 ESP Fit Center 6485 is at -3.590479 -4.325685 0.618514 ESP Fit Center 6486 is at -3.286489 -4.609592 0.618514 ESP Fit Center 6487 is at -3.906211 -4.348697 0.291196 ESP Fit Center 6488 is at -3.638169 -4.668137 0.291196 ESP Fit Center 6489 is at -3.303683 -4.917152 0.291196 ESP Fit Center 6490 is at -2.920787 -5.082318 0.291196 ESP Fit Center 6491 is at -2.510123 -5.154729 0.291196 ESP Fit Center 6492 is at -4.020154 -4.534765 -0.082240 ESP Fit Center 6493 is at -3.741000 -4.844798 -0.082240 ESP Fit Center 6494 is at -3.403486 -5.090016 -0.082240 ESP Fit Center 6495 is at -3.022364 -5.259702 -0.082240 ESP Fit Center 6496 is at -2.614291 -5.346441 -0.082240 ESP Fit Center 6497 is at -2.197101 -5.346441 -0.082240 ESP Fit Center 6498 is at -1.789028 -5.259702 -0.082240 ESP Fit Center 6499 is at -4.167161 -4.538766 -0.487441 ESP Fit Center 6500 is at -3.903699 -4.859796 -0.487441 ESP Fit Center 6501 is at -3.582670 -5.123258 -0.487441 ESP Fit Center 6502 is at -3.216410 -5.319028 -0.487441 ESP Fit Center 6503 is at -2.818994 -5.439583 -0.487441 ESP Fit Center 6504 is at -2.405696 -5.480289 -0.487441 ESP Fit Center 6505 is at -1.992398 -5.439583 -0.487441 ESP Fit Center 6506 is at -1.594983 -5.319028 -0.487441 ESP Fit Center 6507 is at -1.228723 -5.123258 -0.487441 ESP Fit Center 6508 is at -0.907693 -4.859796 -0.487441 ESP Fit Center 6509 is at -4.325581 -4.351562 -0.908836 ESP Fit Center 6510 is at -4.103571 -4.697016 -0.908836 ESP Fit Center 6511 is at -3.820195 -4.994212 -0.908836 ESP Fit Center 6512 is at -3.485696 -5.232408 -0.908836 ESP Fit Center 6513 is at -3.112163 -5.402995 -0.908836 ESP Fit Center 6514 is at -2.713096 -5.499807 -0.908836 ESP Fit Center 6515 is at -2.302919 -5.519346 -0.908836 ESP Fit Center 6516 is at -1.896457 -5.460906 -0.908836 ESP Fit Center 6517 is at -1.508400 -5.326598 -0.908836 ESP Fit Center 6518 is at -1.152773 -5.121277 -0.908836 ESP Fit Center 6519 is at -0.842431 -4.852364 -0.908836 ESP Fit Center 6520 is at -0.588589 -4.529577 -0.908836 ESP Fit Center 6521 is at -4.362932 -4.172506 -1.330231 ESP Fit Center 6522 is at -4.167161 -4.538766 -1.330231 ESP Fit Center 6523 is at -3.903699 -4.859796 -1.330231 ESP Fit Center 6524 is at -3.582670 -5.123258 -1.330231 ESP Fit Center 6525 is at -3.216410 -5.319028 -1.330231 ESP Fit Center 6526 is at -2.818994 -5.439583 -1.330231 ESP Fit Center 6527 is at -2.405696 -5.480289 -1.330231 ESP Fit Center 6528 is at -1.992398 -5.439583 -1.330231 ESP Fit Center 6529 is at -1.594983 -5.319028 -1.330231 ESP Fit Center 6530 is at -1.228723 -5.123258 -1.330231 ESP Fit Center 6531 is at -0.907693 -4.859796 -1.330231 ESP Fit Center 6532 is at -0.644231 -4.538766 -1.330231 ESP Fit Center 6533 is at -4.228749 -4.173468 -1.735432 ESP Fit Center 6534 is at -4.020154 -4.534765 -1.735432 ESP Fit Center 6535 is at -3.741000 -4.844798 -1.735432 ESP Fit Center 6536 is at -3.403486 -5.090016 -1.735432 ESP Fit Center 6537 is at -3.022364 -5.259702 -1.735432 ESP Fit Center 6538 is at -2.614291 -5.346441 -1.735432 ESP Fit Center 6539 is at -2.197101 -5.346441 -1.735432 ESP Fit Center 6540 is at -1.789028 -5.259702 -1.735432 ESP Fit Center 6541 is at -1.407906 -5.090016 -1.735432 ESP Fit Center 6542 is at -1.070393 -4.844798 -1.735432 ESP Fit Center 6543 is at -0.791238 -4.534765 -1.735432 ESP Fit Center 6544 is at -0.582643 -4.173468 -1.735432 ESP Fit Center 6545 is at -4.093360 -3.976052 -2.108868 ESP Fit Center 6546 is at -3.906211 -4.348697 -2.108868 ESP Fit Center 6547 is at -3.638169 -4.668137 -2.108868 ESP Fit Center 6548 is at -3.303683 -4.917152 -2.108868 ESP Fit Center 6549 is at -2.920787 -5.082318 -2.108868 ESP Fit Center 6550 is at -2.510123 -5.154729 -2.108868 ESP Fit Center 6551 is at -2.093829 -5.130482 -2.108868 ESP Fit Center 6552 is at -1.694347 -5.010885 -2.108868 ESP Fit Center 6553 is at -1.333215 -4.802386 -2.108868 ESP Fit Center 6554 is at -1.029900 -4.516223 -2.108868 ESP Fit Center 6555 is at -0.800755 -4.167825 -2.108868 ESP Fit Center 6556 is at -3.806599 -3.970291 -2.436187 ESP Fit Center 6557 is at -3.590479 -4.325685 -2.436187 ESP Fit Center 6558 is at -3.286489 -4.609592 -2.436187 ESP Fit Center 6559 is at -2.917175 -4.800956 -2.436187 ESP Fit Center 6560 is at -2.509926 -4.885583 -2.436187 ESP Fit Center 6561 is at -2.094948 -4.857198 -2.436187 ESP Fit Center 6562 is at -1.703016 -4.717905 -2.436187 ESP Fit Center 6563 is at -1.363198 -4.478036 -2.436187 ESP Fit Center 6564 is at -1.100698 -4.155380 -2.436187 ESP Fit Center 6565 is at -0.934984 -3.773867 -2.436187 ESP Fit Center 6566 is at -3.533357 -3.772228 -2.704811 ESP Fit Center 6567 is at -3.324974 -4.133158 -2.704811 ESP Fit Center 6568 is at -3.005712 -4.401051 -2.704811 ESP Fit Center 6569 is at -2.614080 -4.543593 -2.704811 ESP Fit Center 6570 is at -2.197313 -4.543593 -2.704811 ESP Fit Center 6571 is at -1.805680 -4.401051 -2.704811 ESP Fit Center 6572 is at -1.486419 -4.133158 -2.704811 ESP Fit Center 6573 is at -1.278035 -3.772228 -2.704811 ESP Fit Center 6574 is at -3.121550 -3.775091 -2.904416 ESP Fit Center 6575 is at -2.818994 -4.077646 -2.904416 ESP Fit Center 6576 is at -2.405696 -4.188389 -2.904416 ESP Fit Center 6577 is at -1.992398 -4.077646 -2.904416 ESP Fit Center 6578 is at -1.689843 -3.775091 -2.904416 ESP Fit Center 6579 is at -2.616394 -3.726732 -3.027332 ESP Fit Center 6580 is at -2.194999 -3.726732 -3.027332 ESP Fit Center 6581 is at 5.181956 -0.906444 2.642976 ESP Fit Center 6582 is at 5.604329 -0.906444 2.609734 ESP Fit Center 6583 is at 5.393143 -0.540659 2.609734 ESP Fit Center 6584 is at 4.970769 -0.540659 2.609734 ESP Fit Center 6585 is at 4.759583 -0.906444 2.609734 ESP Fit Center 6586 is at 4.970769 -1.272230 2.609734 ESP Fit Center 6587 is at 5.393143 -1.272230 2.609734 ESP Fit Center 6588 is at 6.016302 -0.906444 2.510828 ESP Fit Center 6589 is at 4.764783 -0.183880 2.510828 ESP Fit Center 6590 is at 4.459391 -1.323617 2.510828 ESP Fit Center 6591 is at 5.904521 -1.323617 2.510828 ESP Fit Center 6592 is at 6.016302 -0.906444 -2.624877 ESP Fit Center 6593 is at 4.764783 -0.183880 -2.624877 ESP Fit Center 6594 is at 4.459391 -1.323617 -2.624877 ESP Fit Center 6595 is at 5.904521 -1.323617 -2.624877 ESP Fit Center 6596 is at 5.604329 -0.906444 -2.723783 ESP Fit Center 6597 is at 5.393143 -0.540659 -2.723783 ESP Fit Center 6598 is at 4.970769 -0.540659 -2.723783 ESP Fit Center 6599 is at 4.759583 -0.906444 -2.723783 ESP Fit Center 6600 is at 4.970769 -1.272230 -2.723783 ESP Fit Center 6601 is at 5.393143 -1.272230 -2.723783 ESP Fit Center 6602 is at 5.181956 -0.906444 -2.757024 ESP Fit Center 6603 is at 2.400471 -1.846230 1.941728 ESP Fit Center 6604 is at 2.703027 -2.148786 1.941728 ESP Fit Center 6605 is at 2.197047 -2.204298 1.742123 ESP Fit Center 6606 is at 2.516309 -2.472190 1.742123 ESP Fit Center 6607 is at 2.907941 -2.614733 1.742123 ESP Fit Center 6608 is at 1.931542 -2.396825 1.473499 ESP Fit Center 6609 is at 2.235532 -2.680732 1.473499 ESP Fit Center 6610 is at 2.604846 -2.872095 1.473499 ESP Fit Center 6611 is at 3.012095 -2.956722 1.473499 ESP Fit Center 6612 is at 1.883852 -2.739277 1.146180 ESP Fit Center 6613 is at 2.218338 -2.988292 1.146180 ESP Fit Center 6614 is at 2.601233 -3.153457 1.146180 ESP Fit Center 6615 is at 3.011898 -3.225868 1.146180 ESP Fit Center 6616 is at 1.501867 -2.605905 0.772745 ESP Fit Center 6617 is at 1.781021 -2.915937 0.772745 ESP Fit Center 6618 is at 2.118535 -3.161155 0.772745 ESP Fit Center 6619 is at 2.499657 -3.330841 0.772745 ESP Fit Center 6620 is at 2.907730 -3.417580 0.772745 ESP Fit Center 6621 is at 1.618322 -2.930935 0.367544 ESP Fit Center 6622 is at 1.939351 -3.194397 0.367544 ESP Fit Center 6623 is at 2.305611 -3.390168 0.367544 ESP Fit Center 6624 is at 2.703027 -3.510722 0.367544 ESP Fit Center 6625 is at 3.116325 -3.551428 0.367544 ESP Fit Center 6626 is at 1.701826 -3.065351 -0.053851 ESP Fit Center 6627 is at 2.036325 -3.303547 -0.053851 ESP Fit Center 6628 is at 2.409858 -3.474134 -0.053851 ESP Fit Center 6629 is at 2.808925 -3.570947 -0.053851 ESP Fit Center 6630 is at 3.219102 -3.590486 -0.053851 ESP Fit Center 6631 is at 1.939351 -3.194397 -0.475246 ESP Fit Center 6632 is at 2.305611 -3.390168 -0.475246 ESP Fit Center 6633 is at 2.703027 -3.510722 -0.475246 ESP Fit Center 6634 is at 3.116325 -3.551428 -0.475246 ESP Fit Center 6635 is at 1.781021 -2.915937 -0.880448 ESP Fit Center 6636 is at 2.118535 -3.161155 -0.880448 ESP Fit Center 6637 is at 2.499657 -3.330841 -0.880448 ESP Fit Center 6638 is at 2.907730 -3.417580 -0.880448 ESP Fit Center 6639 is at 1.883852 -2.739277 -1.253883 ESP Fit Center 6640 is at 2.218338 -2.988292 -1.253883 ESP Fit Center 6641 is at 2.601233 -3.153457 -1.253883 ESP Fit Center 6642 is at 3.011898 -3.225868 -1.253883 ESP Fit Center 6643 is at 1.931542 -2.396825 -1.581202 ESP Fit Center 6644 is at 2.235532 -2.680732 -1.581202 ESP Fit Center 6645 is at 2.604846 -2.872095 -1.581202 ESP Fit Center 6646 is at 3.012095 -2.956722 -1.581202 ESP Fit Center 6647 is at 2.197047 -2.204298 -1.849826 ESP Fit Center 6648 is at 2.516309 -2.472190 -1.849826 ESP Fit Center 6649 is at 2.907941 -2.614733 -1.849826 ESP Fit Center 6650 is at 2.400471 -1.846230 -2.049431 ESP Fit Center 6651 is at 2.703027 -2.148786 -2.049431 ESP Fit Center 6652 is at 6.119315 -0.658185 2.508679 ESP Fit Center 6653 is at 6.536488 -0.546404 2.508679 ESP Fit Center 6654 is at 6.732202 -0.885391 2.346544 ESP Fit Center 6655 is at 7.058313 -0.611751 2.346544 ESP Fit Center 6656 is at 7.271166 -0.243078 2.346544 ESP Fit Center 6657 is at 7.706335 0.176161 2.125172 ESP Fit Center 6658 is at 6.912825 -1.198239 2.125172 ESP Fit Center 6659 is at 7.241508 -0.946032 2.125172 ESP Fit Center 6660 is at 7.493715 -0.617349 2.125172 ESP Fit Center 6661 is at 7.652259 -0.234590 2.125172 ESP Fit Center 6662 is at 7.980636 0.600996 1.850015 ESP Fit Center 6663 is at 7.309675 -1.316502 1.850015 ESP Fit Center 6664 is at 8.147192 0.988001 1.527846 ESP Fit Center 6665 is at 7.956904 1.357108 1.527846 ESP Fit Center 6666 is at 8.202728 1.379020 1.166601 ESP Fit Center 6667 is at 7.962202 1.722527 1.166601 ESP Fit Center 6668 is at 8.377674 1.398324 0.775172 ESP Fit Center 6669 is at 8.145712 1.753369 0.775172 ESP Fit Center 6670 is at 7.858474 2.065392 0.775172 ESP Fit Center 6671 is at 7.523797 2.325881 0.775172 ESP Fit Center 6672 is at 8.276768 1.743643 0.363199 ESP Fit Center 6673 is at 8.004998 2.061844 0.363199 ESP Fit Center 6674 is at 7.686797 2.333614 0.363199 ESP Fit Center 6675 is at 7.329998 2.552260 0.363199 ESP Fit Center 6676 is at 6.943389 2.712399 0.363199 ESP Fit Center 6677 is at 8.327725 1.729522 -0.059174 ESP Fit Center 6678 is at 8.064724 2.048429 -0.059174 ESP Fit Center 6679 is at 7.756124 2.323452 -0.059174 ESP Fit Center 6680 is at 7.409159 2.548144 -0.059174 ESP Fit Center 6681 is at 7.031961 2.717239 -0.059174 ESP Fit Center 6682 is at 6.633371 2.826774 -0.059174 ESP Fit Center 6683 is at 6.222733 2.874180 -0.059174 ESP Fit Center 6684 is at 5.809670 2.858347 -0.059174 ESP Fit Center 6685 is at 5.403865 2.779646 -0.059174 ESP Fit Center 6686 is at 8.276768 1.743643 -0.481547 ESP Fit Center 6687 is at 8.004998 2.061844 -0.481547 ESP Fit Center 6688 is at 7.686797 2.333614 -0.481547 ESP Fit Center 6689 is at 7.329998 2.552260 -0.481547 ESP Fit Center 6690 is at 6.943389 2.712399 -0.481547 ESP Fit Center 6691 is at 8.377674 1.398324 -0.893520 ESP Fit Center 6692 is at 8.145712 1.753369 -0.893520 ESP Fit Center 6693 is at 7.858474 2.065392 -0.893520 ESP Fit Center 6694 is at 7.523797 2.325881 -0.893520 ESP Fit Center 6695 is at 8.202728 1.379020 -1.284948 ESP Fit Center 6696 is at 7.962202 1.722527 -1.284948 ESP Fit Center 6697 is at 8.147192 0.988001 -1.646194 ESP Fit Center 6698 is at 7.956904 1.357108 -1.646194 ESP Fit Center 6699 is at 7.980636 0.600996 -1.968362 ESP Fit Center 6700 is at 7.839434 1.004527 -1.968362 ESP Fit Center 6701 is at 7.706335 0.176161 -2.243520 ESP Fit Center 6702 is at 7.652259 0.586912 -2.243520 ESP Fit Center 6703 is at 6.912825 -1.198239 -2.243520 ESP Fit Center 6704 is at 7.241508 -0.946032 -2.243520 ESP Fit Center 6705 is at 7.493715 -0.617349 -2.243520 ESP Fit Center 6706 is at 7.652259 -0.234590 -2.243520 ESP Fit Center 6707 is at 7.345090 0.176161 -2.464891 ESP Fit Center 6708 is at 6.732202 -0.885391 -2.464891 ESP Fit Center 6709 is at 7.058313 -0.611751 -2.464891 ESP Fit Center 6710 is at 7.271166 -0.243078 -2.464891 ESP Fit Center 6711 is at 6.119315 -0.658185 -2.627026 ESP Fit Center 6712 is at 6.536488 -0.546404 -2.627026 ESP Fit Center 6713 is at 6.841880 -0.241012 -2.627026 ESP Fit Center 6714 is at 6.480736 -2.259011 2.504380 ESP Fit Center 6715 is at 6.368955 -1.841838 2.504380 ESP Fit Center 6716 is at 6.063563 -1.536446 2.504380 ESP Fit Center 6717 is at 6.872164 -2.259011 2.342245 ESP Fit Center 6718 is at 6.798241 -1.839772 2.342245 ESP Fit Center 6719 is at 6.585388 -1.471099 2.342245 ESP Fit Center 6720 is at 6.798241 -2.678251 2.342245 ESP Fit Center 6721 is at 7.233410 -2.259011 2.120873 ESP Fit Center 6722 is at 7.179334 -1.848260 2.120873 ESP Fit Center 6723 is at 7.020790 -1.465501 2.120873 ESP Fit Center 6724 is at 7.020790 -3.052521 2.120873 ESP Fit Center 6725 is at 7.179334 -2.669762 2.120873 ESP Fit Center 6726 is at 7.366509 -1.430645 1.845715 ESP Fit Center 6727 is at 7.139054 -3.449371 1.845715 ESP Fit Center 6728 is at 6.913435 -4.038327 1.523547 ESP Fit Center 6729 is at 7.227275 -3.766382 1.523547 ESP Fit Center 6730 is at 6.849249 -4.342424 1.162301 ESP Fit Center 6731 is at 7.192755 -4.101898 1.162301 ESP Fit Center 6732 is at 6.276761 -4.748288 0.770873 ESP Fit Center 6733 is at 6.677885 -4.610582 0.770873 ESP Fit Center 6734 is at 7.050872 -4.408731 0.770873 ESP Fit Center 6735 is at 5.646390 -4.925770 0.358900 ESP Fit Center 6736 is at 6.063563 -4.892937 0.358900 ESP Fit Center 6737 is at 6.470464 -4.795249 0.358900 ESP Fit Center 6738 is at 6.857073 -4.635110 0.358900 ESP Fit Center 6739 is at 7.213871 -4.416464 0.358900 ESP Fit Center 6740 is at 3.325552 -3.638762 -0.063473 ESP Fit Center 6741 is at 3.563369 -3.976866 -0.063473 ESP Fit Center 6742 is at 3.850011 -4.274705 -0.063473 ESP Fit Center 6743 is at 4.178758 -4.525298 -0.063473 ESP Fit Center 6744 is at 4.541905 -4.722771 -0.063473 ESP Fit Center 6745 is at 4.930940 -4.862496 -0.063473 ESP Fit Center 6746 is at 5.336745 -4.941197 -0.063473 ESP Fit Center 6747 is at 5.749807 -4.957030 -0.063473 ESP Fit Center 6748 is at 6.160446 -4.909624 -0.063473 ESP Fit Center 6749 is at 6.559036 -4.800089 -0.063473 ESP Fit Center 6750 is at 6.936233 -4.630994 -0.063473 ESP Fit Center 6751 is at 7.283199 -4.406302 -0.063473 ESP Fit Center 6752 is at 5.229217 -4.892937 -0.485846 ESP Fit Center 6753 is at 5.646390 -4.925770 -0.485846 ESP Fit Center 6754 is at 6.063563 -4.892937 -0.485846 ESP Fit Center 6755 is at 6.470464 -4.795249 -0.485846 ESP Fit Center 6756 is at 6.857073 -4.635110 -0.485846 ESP Fit Center 6757 is at 7.213871 -4.416464 -0.485846 ESP Fit Center 6758 is at 6.276761 -4.748288 -0.897819 ESP Fit Center 6759 is at 6.677885 -4.610582 -0.897819 ESP Fit Center 6760 is at 7.050872 -4.408731 -0.897819 ESP Fit Center 6761 is at 6.849249 -4.342424 -1.289247 ESP Fit Center 6762 is at 7.192755 -4.101898 -1.289247 ESP Fit Center 6763 is at 6.913435 -4.038327 -1.650493 ESP Fit Center 6764 is at 7.227275 -3.766382 -1.650493 ESP Fit Center 6765 is at 7.366509 -1.430645 -1.972661 ESP Fit Center 6766 is at 7.139054 -3.449371 -1.972661 ESP Fit Center 6767 is at 7.366509 -3.087377 -1.972661 ESP Fit Center 6768 is at 7.233410 -2.259011 -2.247819 ESP Fit Center 6769 is at 7.179334 -1.848260 -2.247819 ESP Fit Center 6770 is at 7.020790 -1.465501 -2.247819 ESP Fit Center 6771 is at 7.020790 -3.052521 -2.247819 ESP Fit Center 6772 is at 7.179334 -2.669762 -2.247819 ESP Fit Center 6773 is at 6.872164 -2.259011 -2.469190 ESP Fit Center 6774 is at 6.798241 -1.839772 -2.469190 ESP Fit Center 6775 is at 6.585388 -1.471099 -2.469190 ESP Fit Center 6776 is at 6.368955 -1.841838 -2.631325 ESP Fit Center 6777 is at 6.063563 -1.536446 -2.631325 ESP Fit Center 6778 is at 7.976515 -0.207131 1.921239 ESP Fit Center 6779 is at 7.865772 -0.620429 1.921239 ESP Fit Center 6780 is at 8.349950 -0.207131 1.721634 ESP Fit Center 6781 is at 8.277579 0.203304 1.721634 ESP Fit Center 6782 is at 7.749934 -1.246389 1.721634 ESP Fit Center 6783 is at 8.069196 -0.978496 1.721634 ESP Fit Center 6784 is at 8.277579 -0.617566 1.721634 ESP Fit Center 6785 is at 8.677269 -0.207131 1.453010 ESP Fit Center 6786 is at 8.620631 0.204943 1.453010 ESP Fit Center 6787 is at 8.454917 0.586456 1.453010 ESP Fit Center 6788 is at 8.192417 -1.323374 1.453010 ESP Fit Center 6789 is at 8.454917 -1.000718 1.453010 ESP Fit Center 6790 is at 8.620631 -0.619205 1.453010 ESP Fit Center 6791 is at 8.945893 -0.207131 1.125691 ESP Fit Center 6792 is at 8.897482 0.207049 1.125691 ESP Fit Center 6793 is at 8.754860 0.598901 1.125691 ESP Fit Center 6794 is at 8.525715 0.947299 1.125691 ESP Fit Center 6795 is at 8.525715 -1.361561 1.125691 ESP Fit Center 6796 is at 8.754860 -1.013163 1.125691 ESP Fit Center 6797 is at 8.897482 -0.621311 1.125691 ESP Fit Center 6798 is at 9.145498 -0.207131 0.752256 ESP Fit Center 6799 is at 9.101890 0.207774 0.752256 ESP Fit Center 6800 is at 8.972971 0.604545 0.752256 ESP Fit Center 6801 is at 8.764377 0.965842 0.752256 ESP Fit Center 6802 is at 8.485222 1.275874 0.752256 ESP Fit Center 6803 is at 8.764377 -1.380103 0.752256 ESP Fit Center 6804 is at 8.972971 -1.018806 0.752256 ESP Fit Center 6805 is at 9.101890 -0.622035 0.752256 ESP Fit Center 6806 is at 9.268415 -0.207131 0.347055 ESP Fit Center 6807 is at 9.227708 0.206167 0.347055 ESP Fit Center 6808 is at 9.107154 0.603583 0.347055 ESP Fit Center 6809 is at 8.911384 0.969843 0.347055 ESP Fit Center 6810 is at 8.647922 1.290872 0.347055 ESP Fit Center 6811 is at 8.911384 -1.384104 0.347055 ESP Fit Center 6812 is at 9.107154 -1.017844 0.347055 ESP Fit Center 6813 is at 9.227708 -0.620429 0.347055 ESP Fit Center 6814 is at 9.309919 -0.207131 -0.074340 ESP Fit Center 6815 is at 9.270885 0.201652 -0.074340 ESP Fit Center 6816 is at 9.155193 0.595660 -0.074340 ESP Fit Center 6817 is at 8.967026 0.960653 -0.074340 ESP Fit Center 6818 is at 8.713184 1.283440 -0.074340 ESP Fit Center 6819 is at 8.967026 -1.374915 -0.074340 ESP Fit Center 6820 is at 9.155193 -1.009922 -0.074340 ESP Fit Center 6821 is at 9.270885 -0.615913 -0.074340 ESP Fit Center 6822 is at 9.268415 -0.207131 -0.495735 ESP Fit Center 6823 is at 9.227708 0.206167 -0.495735 ESP Fit Center 6824 is at 9.107154 0.603583 -0.495735 ESP Fit Center 6825 is at 8.911384 0.969843 -0.495735 ESP Fit Center 6826 is at 8.647922 1.290872 -0.495735 ESP Fit Center 6827 is at 8.911384 -1.384104 -0.495735 ESP Fit Center 6828 is at 9.107154 -1.017844 -0.495735 ESP Fit Center 6829 is at 9.227708 -0.620429 -0.495735 ESP Fit Center 6830 is at 9.145498 -0.207131 -0.900937 ESP Fit Center 6831 is at 9.101890 0.207774 -0.900937 ESP Fit Center 6832 is at 8.972971 0.604545 -0.900937 ESP Fit Center 6833 is at 8.764377 0.965842 -0.900937 ESP Fit Center 6834 is at 8.485222 1.275874 -0.900937 ESP Fit Center 6835 is at 8.764377 -1.380103 -0.900937 ESP Fit Center 6836 is at 8.972971 -1.018806 -0.900937 ESP Fit Center 6837 is at 9.101890 -0.622035 -0.900937 ESP Fit Center 6838 is at 8.945893 -0.207131 -1.274372 ESP Fit Center 6839 is at 8.897482 0.207049 -1.274372 ESP Fit Center 6840 is at 8.754860 0.598901 -1.274372 ESP Fit Center 6841 is at 8.525715 0.947299 -1.274372 ESP Fit Center 6842 is at 8.525715 -1.361561 -1.274372 ESP Fit Center 6843 is at 8.754860 -1.013163 -1.274372 ESP Fit Center 6844 is at 8.897482 -0.621311 -1.274372 ESP Fit Center 6845 is at 8.677269 -0.207131 -1.601691 ESP Fit Center 6846 is at 8.620631 0.204943 -1.601691 ESP Fit Center 6847 is at 8.454917 0.586456 -1.601691 ESP Fit Center 6848 is at 8.192417 -1.323374 -1.601691 ESP Fit Center 6849 is at 8.454917 -1.000718 -1.601691 ESP Fit Center 6850 is at 8.620631 -0.619205 -1.601691 ESP Fit Center 6851 is at 8.349950 -0.207131 -1.870315 ESP Fit Center 6852 is at 8.277579 0.203304 -1.870315 ESP Fit Center 6853 is at 7.749934 -1.246389 -1.870315 ESP Fit Center 6854 is at 8.069196 -0.978496 -1.870315 ESP Fit Center 6855 is at 8.277579 -0.617566 -1.870315 ESP Fit Center 6856 is at 7.976515 -0.207131 -2.069920 ESP Fit Center 6857 is at 7.563217 -0.922984 -2.069920 ESP Fit Center 6858 is at 7.865772 -0.620429 -2.069920 ESP Fit Center 6859 is at 5.953732 0.792181 2.995988 ESP Fit Center 6860 is at 6.375127 0.792181 2.954484 ESP Fit Center 6861 is at 6.164429 1.157120 2.954484 ESP Fit Center 6862 is at 5.743034 1.157120 2.954484 ESP Fit Center 6863 is at 5.532337 0.792181 2.954484 ESP Fit Center 6864 is at 5.743034 0.427242 2.954484 ESP Fit Center 6865 is at 6.164429 0.427242 2.954484 ESP Fit Center 6866 is at 6.780328 0.792181 2.831568 ESP Fit Center 6867 is at 6.669585 1.205479 2.831568 ESP Fit Center 6868 is at 6.367030 1.508034 2.831568 ESP Fit Center 6869 is at 5.953732 1.618777 2.831568 ESP Fit Center 6870 is at 5.540434 1.508034 2.831568 ESP Fit Center 6871 is at 5.237878 1.205479 2.831568 ESP Fit Center 6872 is at 5.127135 0.792181 2.831568 ESP Fit Center 6873 is at 5.237878 0.378883 2.831568 ESP Fit Center 6874 is at 5.540434 0.076328 2.831568 ESP Fit Center 6875 is at 5.953732 -0.034415 2.831568 ESP Fit Center 6876 is at 6.367030 0.076328 2.831568 ESP Fit Center 6877 is at 6.669585 0.378883 2.831568 ESP Fit Center 6878 is at 7.153763 0.792181 2.631962 ESP Fit Center 6879 is at 7.081393 1.202616 2.631962 ESP Fit Center 6880 is at 6.873009 1.563546 2.631962 ESP Fit Center 6881 is at 6.553748 1.831439 2.631962 ESP Fit Center 6882 is at 6.162115 1.973981 2.631962 ESP Fit Center 6883 is at 5.745348 1.973981 2.631962 ESP Fit Center 6884 is at 5.353716 1.831439 2.631962 ESP Fit Center 6885 is at 5.034454 1.563546 2.631962 ESP Fit Center 6886 is at 4.826071 1.202616 2.631962 ESP Fit Center 6887 is at 4.753700 0.792181 2.631962 ESP Fit Center 6888 is at 4.826071 0.381746 2.631962 ESP Fit Center 6889 is at 5.034454 0.020815 2.631962 ESP Fit Center 6890 is at 5.353716 -0.247077 2.631962 ESP Fit Center 6891 is at 5.745348 -0.389620 2.631962 ESP Fit Center 6892 is at 6.162115 -0.389620 2.631962 ESP Fit Center 6893 is at 6.553748 -0.247077 2.631962 ESP Fit Center 6894 is at 6.873009 0.020815 2.631962 ESP Fit Center 6895 is at 7.081393 0.381746 2.631962 ESP Fit Center 6896 is at 7.481082 0.792181 2.363339 ESP Fit Center 6897 is at 7.424444 1.204255 2.363339 ESP Fit Center 6898 is at 7.258730 1.585768 2.363339 ESP Fit Center 6899 is at 6.996230 1.908424 2.363339 ESP Fit Center 6900 is at 6.656412 2.148293 2.363339 ESP Fit Center 6901 is at 6.264480 2.287586 2.363339 ESP Fit Center 6902 is at 5.849502 2.315971 2.363339 ESP Fit Center 6903 is at 5.442253 2.231344 2.363339 ESP Fit Center 6904 is at 5.072939 2.039980 2.363339 ESP Fit Center 6905 is at 4.768949 1.756074 2.363339 ESP Fit Center 6906 is at 4.552828 1.400679 2.363339 ESP Fit Center 6907 is at 7.424444 0.380107 2.363339 ESP Fit Center 6908 is at 7.749706 0.792181 2.036020 ESP Fit Center 6909 is at 7.701295 1.206361 2.036020 ESP Fit Center 6910 is at 7.558673 1.598213 2.036020 ESP Fit Center 6911 is at 7.329528 1.946611 2.036020 ESP Fit Center 6912 is at 7.026213 2.232774 2.036020 ESP Fit Center 6913 is at 6.665081 2.441274 2.036020 ESP Fit Center 6914 is at 6.265599 2.560870 2.036020 ESP Fit Center 6915 is at 5.849305 2.585117 2.036020 ESP Fit Center 6916 is at 5.438640 2.512706 2.036020 ESP Fit Center 6917 is at 5.055744 2.347540 2.036020 ESP Fit Center 6918 is at 4.721259 2.098525 2.036020 ESP Fit Center 6919 is at 7.776785 1.603856 1.662584 ESP Fit Center 6920 is at 7.568190 1.965153 1.662584 ESP Fit Center 6921 is at 7.289035 2.275186 1.662584 ESP Fit Center 6922 is at 6.951522 2.520404 1.662584 ESP Fit Center 6923 is at 6.570400 2.690090 1.662584 ESP Fit Center 6924 is at 6.162327 2.776829 1.662584 ESP Fit Center 6925 is at 5.745137 2.776829 1.662584 ESP Fit Center 6926 is at 5.337064 2.690090 1.662584 ESP Fit Center 6927 is at 4.955942 2.520404 1.662584 ESP Fit Center 6928 is at 7.715197 1.969154 1.257383 ESP Fit Center 6929 is at 7.451735 2.290184 1.257383 ESP Fit Center 6930 is at 7.130705 2.553646 1.257383 ESP Fit Center 6931 is at 6.764445 2.749416 1.257383 ESP Fit Center 6932 is at 6.367030 2.869971 1.257383 ESP Fit Center 6933 is at 5.953732 2.910677 1.257383 ESP Fit Center 6934 is at 5.540434 2.869971 1.257383 ESP Fit Center 6935 is at 5.143018 2.749416 1.257383 ESP Fit Center 6936 is at 4.776758 2.553646 1.257383 ESP Fit Center 6937 is at 7.206655 2.551665 0.835988 ESP Fit Center 6938 is at 6.851028 2.756986 0.835988 ESP Fit Center 6939 is at 6.462971 2.891294 0.835988 ESP Fit Center 6940 is at 6.056509 2.949734 0.835988 ESP Fit Center 6941 is at 5.646332 2.930195 0.835988 ESP Fit Center 6942 is at 5.247265 2.833383 0.835988 ESP Fit Center 6943 is at 6.367030 2.869971 0.414593 ESP Fit Center 6944 is at 5.953732 2.910677 0.414593 ESP Fit Center 6945 is at 5.540434 2.869971 0.414593 ESP Fit Center 6946 is at 5.143018 2.749416 0.414593 ESP Fit Center 6947 is at 6.742657 2.767154 -0.516501 ESP Fit Center 6948 is at 6.345241 2.887708 -0.516501 ESP Fit Center 6949 is at 5.931943 2.928415 -0.516501 ESP Fit Center 6950 is at 5.518645 2.887708 -0.516501 ESP Fit Center 6951 is at 5.121230 2.767154 -0.516501 ESP Fit Center 6952 is at 7.184866 2.569402 -0.937896 ESP Fit Center 6953 is at 6.829240 2.774723 -0.937896 ESP Fit Center 6954 is at 6.441183 2.909031 -0.937896 ESP Fit Center 6955 is at 6.034720 2.967472 -0.937896 ESP Fit Center 6956 is at 5.624543 2.947933 -0.937896 ESP Fit Center 6957 is at 5.225476 2.851120 -0.937896 ESP Fit Center 6958 is at 4.851943 2.680533 -0.937896 ESP Fit Center 6959 is at 7.693408 1.986892 -1.359291 ESP Fit Center 6960 is at 7.429946 2.307921 -1.359291 ESP Fit Center 6961 is at 7.108917 2.571384 -1.359291 ESP Fit Center 6962 is at 6.742657 2.767154 -1.359291 ESP Fit Center 6963 is at 6.345241 2.887708 -1.359291 ESP Fit Center 6964 is at 5.931943 2.928415 -1.359291 ESP Fit Center 6965 is at 5.518645 2.887708 -1.359291 ESP Fit Center 6966 is at 5.121230 2.767154 -1.359291 ESP Fit Center 6967 is at 4.754970 2.571384 -1.359291 ESP Fit Center 6968 is at 7.754996 1.621594 -1.764492 ESP Fit Center 6969 is at 7.546401 1.982891 -1.764492 ESP Fit Center 6970 is at 7.267247 2.292923 -1.764492 ESP Fit Center 6971 is at 6.929733 2.538141 -1.764492 ESP Fit Center 6972 is at 6.548611 2.707827 -1.764492 ESP Fit Center 6973 is at 6.140538 2.794566 -1.764492 ESP Fit Center 6974 is at 5.723348 2.794566 -1.764492 ESP Fit Center 6975 is at 5.315275 2.707827 -1.764492 ESP Fit Center 6976 is at 4.934153 2.538141 -1.764492 ESP Fit Center 6977 is at 4.596640 2.292923 -1.764492 ESP Fit Center 6978 is at 7.727918 0.809918 -2.137928 ESP Fit Center 6979 is at 7.679507 1.224098 -2.137928 ESP Fit Center 6980 is at 7.536885 1.615950 -2.137928 ESP Fit Center 6981 is at 7.307739 1.964348 -2.137928 ESP Fit Center 6982 is at 7.004425 2.250511 -2.137928 ESP Fit Center 6983 is at 6.643292 2.459011 -2.137928 ESP Fit Center 6984 is at 6.243811 2.578608 -2.137928 ESP Fit Center 6985 is at 5.827517 2.602854 -2.137928 ESP Fit Center 6986 is at 5.416852 2.530443 -2.137928 ESP Fit Center 6987 is at 5.033956 2.365278 -2.137928 ESP Fit Center 6988 is at 4.699471 2.116263 -2.137928 ESP Fit Center 6989 is at 7.459294 0.809918 -2.465247 ESP Fit Center 6990 is at 7.402656 1.221993 -2.465247 ESP Fit Center 6991 is at 7.236941 1.603505 -2.465247 ESP Fit Center 6992 is at 6.974441 1.926161 -2.465247 ESP Fit Center 6993 is at 6.634624 2.166030 -2.465247 ESP Fit Center 6994 is at 6.242692 2.305323 -2.465247 ESP Fit Center 6995 is at 5.827713 2.333708 -2.465247 ESP Fit Center 6996 is at 5.420465 2.249081 -2.465247 ESP Fit Center 6997 is at 5.051150 2.057718 -2.465247 ESP Fit Center 6998 is at 4.747160 1.773811 -2.465247 ESP Fit Center 6999 is at 4.531040 1.418416 -2.465247 ESP Fit Center 7000 is at 7.402656 0.397844 -2.465247 ESP Fit Center 7001 is at 7.131975 0.809918 -2.733870 ESP Fit Center 7002 is at 7.059604 1.220353 -2.733870 ESP Fit Center 7003 is at 6.851221 1.581284 -2.733870 ESP Fit Center 7004 is at 6.531959 1.849176 -2.733870 ESP Fit Center 7005 is at 6.140327 1.991719 -2.733870 ESP Fit Center 7006 is at 5.723560 1.991719 -2.733870 ESP Fit Center 7007 is at 5.331927 1.849176 -2.733870 ESP Fit Center 7008 is at 5.012666 1.581284 -2.733870 ESP Fit Center 7009 is at 4.804282 1.220353 -2.733870 ESP Fit Center 7010 is at 4.731912 0.809918 -2.733870 ESP Fit Center 7011 is at 4.804282 0.399483 -2.733870 ESP Fit Center 7012 is at 5.012666 0.038553 -2.733870 ESP Fit Center 7013 is at 5.331927 -0.229340 -2.733870 ESP Fit Center 7014 is at 5.723560 -0.371882 -2.733870 ESP Fit Center 7015 is at 6.140327 -0.371882 -2.733870 ESP Fit Center 7016 is at 6.531959 -0.229340 -2.733870 ESP Fit Center 7017 is at 6.851221 0.038553 -2.733870 ESP Fit Center 7018 is at 7.059604 0.399483 -2.733870 ESP Fit Center 7019 is at 6.758539 0.809918 -2.933476 ESP Fit Center 7020 is at 6.647797 1.223216 -2.933476 ESP Fit Center 7021 is at 6.345241 1.525772 -2.933476 ESP Fit Center 7022 is at 5.931943 1.636515 -2.933476 ESP Fit Center 7023 is at 5.518645 1.525772 -2.933476 ESP Fit Center 7024 is at 5.216090 1.223216 -2.933476 ESP Fit Center 7025 is at 5.105347 0.809918 -2.933476 ESP Fit Center 7026 is at 5.216090 0.396620 -2.933476 ESP Fit Center 7027 is at 5.518645 0.094065 -2.933476 ESP Fit Center 7028 is at 5.931943 -0.016678 -2.933476 ESP Fit Center 7029 is at 6.345241 0.094065 -2.933476 ESP Fit Center 7030 is at 6.647797 0.396620 -2.933476 ESP Fit Center 7031 is at 6.353338 0.809918 -3.056392 ESP Fit Center 7032 is at 6.142641 1.174857 -3.056392 ESP Fit Center 7033 is at 5.721246 1.174857 -3.056392 ESP Fit Center 7034 is at 5.510548 0.809918 -3.056392 ESP Fit Center 7035 is at 5.721246 0.444979 -3.056392 ESP Fit Center 7036 is at 6.142641 0.444979 -3.056392 ESP Fit Center 7037 is at 5.931943 0.809918 -3.097896 ESP Fit Center 7038 is at 7.572790 -2.286462 1.947618 ESP Fit Center 7039 is at 7.462047 -1.873164 1.947618 ESP Fit Center 7040 is at 7.462047 -2.699760 1.947618 ESP Fit Center 7041 is at 7.946226 -2.286462 1.748012 ESP Fit Center 7042 is at 7.873855 -1.876027 1.748012 ESP Fit Center 7043 is at 7.665472 -1.515096 1.748012 ESP Fit Center 7044 is at 7.346210 -3.325720 1.748012 ESP Fit Center 7045 is at 7.665472 -3.057827 1.748012 ESP Fit Center 7046 is at 7.873855 -2.696897 1.748012 ESP Fit Center 7047 is at 8.273545 -2.286462 1.479388 ESP Fit Center 7048 is at 8.216906 -1.874387 1.479388 ESP Fit Center 7049 is at 8.051192 -1.492875 1.479388 ESP Fit Center 7050 is at 7.448875 -3.642574 1.479388 ESP Fit Center 7051 is at 7.788692 -3.402704 1.479388 ESP Fit Center 7052 is at 8.051192 -3.080049 1.479388 ESP Fit Center 7053 is at 8.216906 -2.698536 1.479388 ESP Fit Center 7054 is at 8.542168 -2.286462 1.152070 ESP Fit Center 7055 is at 8.493758 -1.872281 1.152070 ESP Fit Center 7056 is at 7.457543 -3.935554 1.152070 ESP Fit Center 7057 is at 7.818676 -3.727054 1.152070 ESP Fit Center 7058 is at 8.121990 -3.440892 1.152070 ESP Fit Center 7059 is at 8.351135 -3.092493 1.152070 ESP Fit Center 7060 is at 8.493758 -2.700642 1.152070 ESP Fit Center 7061 is at 8.741774 -2.286462 0.778634 ESP Fit Center 7062 is at 8.698166 -1.871557 0.778634 ESP Fit Center 7063 is at 7.362862 -4.184371 0.778634 ESP Fit Center 7064 is at 7.743984 -4.014684 0.778634 ESP Fit Center 7065 is at 8.081498 -3.769466 0.778634 ESP Fit Center 7066 is at 8.360652 -3.459434 0.778634 ESP Fit Center 7067 is at 8.569247 -3.098137 0.778634 ESP Fit Center 7068 is at 8.698166 -2.701366 0.778634 ESP Fit Center 7069 is at 8.864690 -2.286462 0.373433 ESP Fit Center 7070 is at 8.823984 -1.873164 0.373433 ESP Fit Center 7071 is at 7.556907 -4.243697 0.373433 ESP Fit Center 7072 is at 7.923167 -4.047927 0.373433 ESP Fit Center 7073 is at 8.244197 -3.784465 0.373433 ESP Fit Center 7074 is at 8.507659 -3.463435 0.373433 ESP Fit Center 7075 is at 8.703429 -3.097175 0.373433 ESP Fit Center 7076 is at 8.823984 -2.699760 0.373433 ESP Fit Center 7077 is at 8.906194 -2.286462 -0.047962 ESP Fit Center 7078 is at 8.867160 -1.877679 -0.047962 ESP Fit Center 7079 is at 7.643490 -4.251267 -0.047962 ESP Fit Center 7080 is at 7.999117 -4.045946 -0.047962 ESP Fit Center 7081 is at 8.309460 -3.777032 -0.047962 ESP Fit Center 7082 is at 8.563302 -3.454246 -0.047962 ESP Fit Center 7083 is at 8.751469 -3.089253 -0.047962 ESP Fit Center 7084 is at 8.867160 -2.695244 -0.047962 ESP Fit Center 7085 is at 8.864690 -2.286462 -0.469357 ESP Fit Center 7086 is at 8.823984 -1.873164 -0.469357 ESP Fit Center 7087 is at 7.556907 -4.243697 -0.469357 ESP Fit Center 7088 is at 7.923167 -4.047927 -0.469357 ESP Fit Center 7089 is at 8.244197 -3.784465 -0.469357 ESP Fit Center 7090 is at 8.507659 -3.463435 -0.469357 ESP Fit Center 7091 is at 8.703429 -3.097175 -0.469357 ESP Fit Center 7092 is at 8.823984 -2.699760 -0.469357 ESP Fit Center 7093 is at 8.741774 -2.286462 -0.874558 ESP Fit Center 7094 is at 8.698166 -1.871557 -0.874558 ESP Fit Center 7095 is at 7.362862 -4.184371 -0.874558 ESP Fit Center 7096 is at 7.743984 -4.014684 -0.874558 ESP Fit Center 7097 is at 8.081498 -3.769466 -0.874558 ESP Fit Center 7098 is at 8.360652 -3.459434 -0.874558 ESP Fit Center 7099 is at 8.569247 -3.098137 -0.874558 ESP Fit Center 7100 is at 8.698166 -2.701366 -0.874558 ESP Fit Center 7101 is at 8.542168 -2.286462 -1.247994 ESP Fit Center 7102 is at 8.493758 -1.872281 -1.247994 ESP Fit Center 7103 is at 7.457543 -3.935554 -1.247994 ESP Fit Center 7104 is at 7.818676 -3.727054 -1.247994 ESP Fit Center 7105 is at 8.121990 -3.440892 -1.247994 ESP Fit Center 7106 is at 8.351135 -3.092493 -1.247994 ESP Fit Center 7107 is at 8.493758 -2.700642 -1.247994 ESP Fit Center 7108 is at 8.273545 -2.286462 -1.575313 ESP Fit Center 7109 is at 8.216906 -1.874387 -1.575313 ESP Fit Center 7110 is at 8.051192 -1.492875 -1.575313 ESP Fit Center 7111 is at 7.448875 -3.642574 -1.575313 ESP Fit Center 7112 is at 7.788692 -3.402704 -1.575313 ESP Fit Center 7113 is at 8.051192 -3.080049 -1.575313 ESP Fit Center 7114 is at 8.216906 -2.698536 -1.575313 ESP Fit Center 7115 is at 7.946226 -2.286462 -1.843937 ESP Fit Center 7116 is at 7.873855 -1.876027 -1.843937 ESP Fit Center 7117 is at 7.665472 -1.515096 -1.843937 ESP Fit Center 7118 is at 7.665472 -3.057827 -1.843937 ESP Fit Center 7119 is at 7.873855 -2.696897 -1.843937 ESP Fit Center 7120 is at 7.572790 -2.286462 -2.043542 ESP Fit Center 7121 is at 7.462047 -1.873164 -2.043542 ESP Fit Center 7122 is at 7.462047 -2.699760 -2.043542 ESP Fit Center 7123 is at 3.307763 -3.574621 -0.540112 ESP Fit Center 7124 is at 3.503533 -3.940881 -0.540112 ESP Fit Center 7125 is at 3.766995 -4.261911 -0.540112 ESP Fit Center 7126 is at 4.088024 -4.525373 -0.540112 ESP Fit Center 7127 is at 4.454284 -4.721143 -0.540112 ESP Fit Center 7128 is at 4.851700 -4.841698 -0.540112 ESP Fit Center 7129 is at 3.345113 -3.753677 -0.961507 ESP Fit Center 7130 is at 3.567123 -4.099131 -0.961507 ESP Fit Center 7131 is at 3.850499 -4.396327 -0.961507 ESP Fit Center 7132 is at 4.184998 -4.634523 -0.961507 ESP Fit Center 7133 is at 4.558531 -4.805109 -0.961507 ESP Fit Center 7134 is at 4.957598 -4.901922 -0.961507 ESP Fit Center 7135 is at 5.367775 -4.921461 -0.961507 ESP Fit Center 7136 is at 5.774237 -4.863021 -0.961507 ESP Fit Center 7137 is at 3.187208 -3.177206 -1.382902 ESP Fit Center 7138 is at 3.307763 -3.574621 -1.382902 ESP Fit Center 7139 is at 3.503533 -3.940881 -1.382902 ESP Fit Center 7140 is at 3.766995 -4.261911 -1.382902 ESP Fit Center 7141 is at 4.088024 -4.525373 -1.382902 ESP Fit Center 7142 is at 4.454284 -4.721143 -1.382902 ESP Fit Center 7143 is at 4.851700 -4.841698 -1.382902 ESP Fit Center 7144 is at 5.264998 -4.882404 -1.382902 ESP Fit Center 7145 is at 5.678296 -4.841698 -1.382902 ESP Fit Center 7146 is at 6.075711 -4.721143 -1.382902 ESP Fit Center 7147 is at 6.441971 -4.525373 -1.382902 ESP Fit Center 7148 is at 3.269418 -2.763908 -1.788103 ESP Fit Center 7149 is at 3.313026 -3.178812 -1.788103 ESP Fit Center 7150 is at 3.441945 -3.575583 -1.788103 ESP Fit Center 7151 is at 3.650540 -3.936880 -1.788103 ESP Fit Center 7152 is at 3.929694 -4.246913 -1.788103 ESP Fit Center 7153 is at 4.267208 -4.492131 -1.788103 ESP Fit Center 7154 is at 4.648330 -4.661817 -1.788103 ESP Fit Center 7155 is at 5.056403 -4.748556 -1.788103 ESP Fit Center 7156 is at 5.473593 -4.748556 -1.788103 ESP Fit Center 7157 is at 5.881666 -4.661817 -1.788103 ESP Fit Center 7158 is at 6.262788 -4.492131 -1.788103 ESP Fit Center 7159 is at 6.600301 -4.246913 -1.788103 ESP Fit Center 7160 is at 6.879456 -3.936880 -1.788103 ESP Fit Center 7161 is at 3.481167 -2.555408 -2.161539 ESP Fit Center 7162 is at 3.481167 -2.972408 -2.161539 ESP Fit Center 7163 is at 3.577334 -3.378167 -2.161539 ESP Fit Center 7164 is at 3.764483 -3.750812 -2.161539 ESP Fit Center 7165 is at 4.032526 -4.070252 -2.161539 ESP Fit Center 7166 is at 4.367011 -4.319267 -2.161539 ESP Fit Center 7167 is at 4.749907 -4.484432 -2.161539 ESP Fit Center 7168 is at 5.160571 -4.556844 -2.161539 ESP Fit Center 7169 is at 5.576866 -4.532597 -2.161539 ESP Fit Center 7170 is at 5.976347 -4.413000 -2.161539 ESP Fit Center 7171 is at 6.337479 -4.204500 -2.161539 ESP Fit Center 7172 is at 6.640794 -3.918338 -2.161539 ESP Fit Center 7173 is at 6.869939 -3.569940 -2.161539 ESP Fit Center 7174 is at 6.792349 -2.763908 -2.488858 ESP Fit Center 7175 is at 4.080215 -1.800015 -2.488858 ESP Fit Center 7176 is at 3.864095 -2.155410 -2.488858 ESP Fit Center 7177 is at 3.751873 -2.555933 -2.488858 ESP Fit Center 7178 is at 3.751873 -2.971882 -2.488858 ESP Fit Center 7179 is at 3.864095 -3.372406 -2.488858 ESP Fit Center 7180 is at 4.080215 -3.727800 -2.488858 ESP Fit Center 7181 is at 4.384205 -4.011707 -2.488858 ESP Fit Center 7182 is at 4.753519 -4.203071 -2.488858 ESP Fit Center 7183 is at 5.160768 -4.287698 -2.488858 ESP Fit Center 7184 is at 5.575747 -4.259312 -2.488858 ESP Fit Center 7185 is at 5.967679 -4.120020 -2.488858 ESP Fit Center 7186 is at 6.307496 -3.880151 -2.488858 ESP Fit Center 7187 is at 6.569996 -3.557495 -2.488858 ESP Fit Center 7188 is at 6.735710 -3.175982 -2.488858 ESP Fit Center 7189 is at 6.465030 -2.763908 -2.757481 ESP Fit Center 7190 is at 6.392659 -2.353473 -2.757481 ESP Fit Center 7191 is at 6.184276 -1.992542 -2.757481 ESP Fit Center 7192 is at 5.865014 -1.724650 -2.757481 ESP Fit Center 7193 is at 5.473381 -1.582107 -2.757481 ESP Fit Center 7194 is at 5.056615 -1.582107 -2.757481 ESP Fit Center 7195 is at 4.664982 -1.724650 -2.757481 ESP Fit Center 7196 is at 4.345720 -1.992542 -2.757481 ESP Fit Center 7197 is at 4.137337 -2.353473 -2.757481 ESP Fit Center 7198 is at 4.064966 -2.763908 -2.757481 ESP Fit Center 7199 is at 4.137337 -3.174343 -2.757481 ESP Fit Center 7200 is at 4.345720 -3.535273 -2.757481 ESP Fit Center 7201 is at 4.664982 -3.803166 -2.757481 ESP Fit Center 7202 is at 5.056615 -3.945708 -2.757481 ESP Fit Center 7203 is at 5.473381 -3.945708 -2.757481 ESP Fit Center 7204 is at 5.865014 -3.803166 -2.757481 ESP Fit Center 7205 is at 6.184276 -3.535273 -2.757481 ESP Fit Center 7206 is at 6.392659 -3.174343 -2.757481 ESP Fit Center 7207 is at 6.091594 -2.763908 -2.957087 ESP Fit Center 7208 is at 5.980851 -2.350610 -2.957087 ESP Fit Center 7209 is at 5.678296 -2.048054 -2.957087 ESP Fit Center 7210 is at 5.264998 -1.937312 -2.957087 ESP Fit Center 7211 is at 4.851700 -2.048054 -2.957087 ESP Fit Center 7212 is at 4.549145 -2.350610 -2.957087 ESP Fit Center 7213 is at 4.438402 -2.763908 -2.957087 ESP Fit Center 7214 is at 4.549145 -3.177206 -2.957087 ESP Fit Center 7215 is at 4.851700 -3.479761 -2.957087 ESP Fit Center 7216 is at 5.264998 -3.590504 -2.957087 ESP Fit Center 7217 is at 5.678296 -3.479761 -2.957087 ESP Fit Center 7218 is at 5.980851 -3.177206 -2.957087 ESP Fit Center 7219 is at 5.686393 -2.763908 -3.080003 ESP Fit Center 7220 is at 5.475695 -2.398969 -3.080003 ESP Fit Center 7221 is at 5.054300 -2.398969 -3.080003 ESP Fit Center 7222 is at 4.843603 -2.763908 -3.080003 ESP Fit Center 7223 is at 5.054300 -3.128847 -3.080003 ESP Fit Center 7224 is at 5.475695 -3.128847 -3.080003 ESP Fit Center 7225 is at 5.264998 -2.763908 -3.121507 ESP Fit Center 7226 is at 5.236748 -2.782701 2.972136 ESP Fit Center 7227 is at 5.658143 -2.782701 2.930632 ESP Fit Center 7228 is at 5.447446 -2.417763 2.930632 ESP Fit Center 7229 is at 5.026050 -2.417763 2.930632 ESP Fit Center 7230 is at 4.815353 -2.782701 2.930632 ESP Fit Center 7231 is at 5.026050 -3.147640 2.930632 ESP Fit Center 7232 is at 5.447446 -3.147640 2.930632 ESP Fit Center 7233 is at 6.063344 -2.782701 2.807716 ESP Fit Center 7234 is at 5.952601 -2.369403 2.807716 ESP Fit Center 7235 is at 5.650046 -2.066848 2.807716 ESP Fit Center 7236 is at 5.236748 -1.956105 2.807716 ESP Fit Center 7237 is at 4.823450 -2.066848 2.807716 ESP Fit Center 7238 is at 4.520895 -2.369403 2.807716 ESP Fit Center 7239 is at 4.410152 -2.782701 2.807716 ESP Fit Center 7240 is at 4.520895 -3.196000 2.807716 ESP Fit Center 7241 is at 4.823450 -3.498555 2.807716 ESP Fit Center 7242 is at 5.236748 -3.609298 2.807716 ESP Fit Center 7243 is at 5.650046 -3.498555 2.807716 ESP Fit Center 7244 is at 5.952601 -3.196000 2.807716 ESP Fit Center 7245 is at 6.436780 -2.782701 2.608110 ESP Fit Center 7246 is at 6.364409 -2.372266 2.608110 ESP Fit Center 7247 is at 6.156026 -2.011336 2.608110 ESP Fit Center 7248 is at 5.836764 -1.743444 2.608110 ESP Fit Center 7249 is at 5.445131 -1.600901 2.608110 ESP Fit Center 7250 is at 5.028365 -1.600901 2.608110 ESP Fit Center 7251 is at 4.636732 -1.743444 2.608110 ESP Fit Center 7252 is at 4.317470 -2.011336 2.608110 ESP Fit Center 7253 is at 4.109087 -2.372266 2.608110 ESP Fit Center 7254 is at 4.036716 -2.782701 2.608110 ESP Fit Center 7255 is at 4.109087 -3.193136 2.608110 ESP Fit Center 7256 is at 4.317470 -3.554067 2.608110 ESP Fit Center 7257 is at 4.636732 -3.821959 2.608110 ESP Fit Center 7258 is at 5.028365 -3.964502 2.608110 ESP Fit Center 7259 is at 5.445131 -3.964502 2.608110 ESP Fit Center 7260 is at 5.836764 -3.821959 2.608110 ESP Fit Center 7261 is at 6.156026 -3.554067 2.608110 ESP Fit Center 7262 is at 6.364409 -3.193136 2.608110 ESP Fit Center 7263 is at 6.764099 -2.782701 2.339487 ESP Fit Center 7264 is at 3.835845 -2.174203 2.339487 ESP Fit Center 7265 is at 3.723623 -2.574727 2.339487 ESP Fit Center 7266 is at 3.723623 -2.990676 2.339487 ESP Fit Center 7267 is at 3.835845 -3.391200 2.339487 ESP Fit Center 7268 is at 4.051965 -3.746594 2.339487 ESP Fit Center 7269 is at 4.355955 -4.030501 2.339487 ESP Fit Center 7270 is at 4.725269 -4.221864 2.339487 ESP Fit Center 7271 is at 5.132518 -4.306492 2.339487 ESP Fit Center 7272 is at 5.547497 -4.278106 2.339487 ESP Fit Center 7273 is at 5.939429 -4.138814 2.339487 ESP Fit Center 7274 is at 6.279246 -3.898944 2.339487 ESP Fit Center 7275 is at 6.541746 -3.576288 2.339487 ESP Fit Center 7276 is at 6.707460 -3.194776 2.339487 ESP Fit Center 7277 is at 3.452917 -2.574202 2.012168 ESP Fit Center 7278 is at 3.452917 -2.991201 2.012168 ESP Fit Center 7279 is at 3.549084 -3.396961 2.012168 ESP Fit Center 7280 is at 3.736233 -3.769606 2.012168 ESP Fit Center 7281 is at 4.004276 -4.089046 2.012168 ESP Fit Center 7282 is at 4.338761 -4.338061 2.012168 ESP Fit Center 7283 is at 4.721657 -4.503226 2.012168 ESP Fit Center 7284 is at 5.132321 -4.575637 2.012168 ESP Fit Center 7285 is at 5.548616 -4.551391 2.012168 ESP Fit Center 7286 is at 5.948097 -4.431794 2.012168 ESP Fit Center 7287 is at 6.309230 -4.223294 2.012168 ESP Fit Center 7288 is at 6.612544 -3.937132 2.012168 ESP Fit Center 7289 is at 6.841689 -3.588733 2.012168 ESP Fit Center 7290 is at 3.241168 -2.782701 1.638732 ESP Fit Center 7291 is at 3.284776 -3.197606 1.638732 ESP Fit Center 7292 is at 3.413695 -3.594377 1.638732 ESP Fit Center 7293 is at 3.622290 -3.955674 1.638732 ESP Fit Center 7294 is at 3.901445 -4.265706 1.638732 ESP Fit Center 7295 is at 4.238958 -4.510924 1.638732 ESP Fit Center 7296 is at 4.620080 -4.680611 1.638732 ESP Fit Center 7297 is at 5.028153 -4.767349 1.638732 ESP Fit Center 7298 is at 5.445343 -4.767349 1.638732 ESP Fit Center 7299 is at 5.853416 -4.680611 1.638732 ESP Fit Center 7300 is at 6.234538 -4.510924 1.638732 ESP Fit Center 7301 is at 6.572052 -4.265706 1.638732 ESP Fit Center 7302 is at 3.158958 -3.196000 1.233531 ESP Fit Center 7303 is at 3.279513 -3.593415 1.233531 ESP Fit Center 7304 is at 3.475283 -3.959675 1.233531 ESP Fit Center 7305 is at 3.738745 -4.280705 1.233531 ESP Fit Center 7306 is at 4.059775 -4.544167 1.233531 ESP Fit Center 7307 is at 4.426035 -4.739937 1.233531 ESP Fit Center 7308 is at 4.823450 -4.860491 1.233531 ESP Fit Center 7309 is at 5.236748 -4.901198 1.233531 ESP Fit Center 7310 is at 5.650046 -4.860491 1.233531 ESP Fit Center 7311 is at 6.047461 -4.739937 1.233531 ESP Fit Center 7312 is at 6.413721 -4.544167 1.233531 ESP Fit Center 7313 is at 3.316863 -3.772471 0.812136 ESP Fit Center 7314 is at 3.538873 -4.117925 0.812136 ESP Fit Center 7315 is at 3.822249 -4.415121 0.812136 ESP Fit Center 7316 is at 4.156748 -4.653316 0.812136 ESP Fit Center 7317 is at 4.530281 -4.823903 0.812136 ESP Fit Center 7318 is at 4.929348 -4.920716 0.812136 ESP Fit Center 7319 is at 5.339525 -4.940255 0.812136 ESP Fit Center 7320 is at 5.745987 -4.881814 0.812136 ESP Fit Center 7321 is at 3.279513 -3.593415 0.390741 ESP Fit Center 7322 is at 3.475283 -3.959675 0.390741 ESP Fit Center 7323 is at 3.738745 -4.280705 0.390741 ESP Fit Center 7324 is at 4.059775 -4.544167 0.390741 ESP Fit Center 7325 is at 4.426035 -4.739937 0.390741 ESP Fit Center 7326 is at 4.823450 -4.860491 0.390741 ESP Fit Center 7327 is at 5.236748 -4.901198 0.390741 ESP Fit Center 7328 is at -0.362877 -4.711234 -0.759403 ESP Fit Center 7329 is at 0.061290 -1.107839 -2.712293 ESP Fit Center 7330 is at -0.147414 -1.508957 -2.900669 ESP Fit Center 7331 is at -0.354959 -1.149479 -2.900669 ESP Fit Center 7332 is at -0.461147 -1.917741 -3.037787 ESP Fit Center 7333 is at -0.569585 -1.513046 -3.037787 ESP Fit Center 7334 is at -0.865842 -1.216788 -3.037787 ESP Fit Center 7335 is at -0.569585 -2.322436 -3.037787 ESP Fit Center 7336 is at -1.368305 -2.472423 4.278882 ESP Fit Center 7337 is at -0.959805 -2.472423 4.250940 ESP Fit Center 7338 is at -1.164055 -2.118652 4.250940 ESP Fit Center 7339 is at -1.572555 -2.118652 4.250940 ESP Fit Center 7340 is at -1.776805 -2.472423 4.250940 ESP Fit Center 7341 is at -1.572555 -2.826195 4.250940 ESP Fit Center 7342 is at -1.164055 -2.826195 4.250940 ESP Fit Center 7343 is at -1.368305 -1.663033 4.167634 ESP Fit Center 7344 is at -1.773000 -1.771471 4.167634 ESP Fit Center 7345 is at -2.069258 -2.067728 4.167634 ESP Fit Center 7346 is at -2.177696 -2.472423 4.167634 ESP Fit Center 7347 is at -2.069258 -2.877118 4.167634 ESP Fit Center 7348 is at -1.773000 -3.173376 4.167634 ESP Fit Center 7349 is at -1.368305 -3.281814 4.167634 ESP Fit Center 7350 is at -0.963610 -3.173376 4.167634 ESP Fit Center 7351 is at -0.667353 -2.877118 4.167634 ESP Fit Center 7352 is at -1.160760 -1.295378 4.030516 ESP Fit Center 7353 is at -1.575850 -1.295378 4.030516 ESP Fit Center 7354 is at -1.965907 -1.437347 4.030516 ESP Fit Center 7355 is at -2.491429 -2.881207 4.030516 ESP Fit Center 7356 is at -2.283884 -3.240685 4.030516 ESP Fit Center 7357 is at -1.965907 -3.507500 4.030516 ESP Fit Center 7358 is at -1.575850 -3.649469 4.030516 ESP Fit Center 7359 is at -1.160760 -3.649469 4.030516 ESP Fit Center 7360 is at -0.770704 -3.507500 4.030516 ESP Fit Center 7361 is at -0.452727 -3.240685 4.030516 ESP Fit Center 7362 is at -1.474678 -0.917305 3.842140 ESP Fit Center 7363 is at -2.577447 -3.456133 3.842140 ESP Fit Center 7364 is at -2.267207 -3.745877 3.842140 ESP Fit Center 7365 is at -1.890300 -3.941174 3.842140 ESP Fit Center 7366 is at -1.474678 -4.027541 3.842140 ESP Fit Center 7367 is at -1.051168 -3.998572 3.842140 ESP Fit Center 7368 is at -0.651178 -3.856416 3.842140 ESP Fit Center 7369 is at -0.304374 -3.611615 3.842140 ESP Fit Center 7370 is at -1.265806 -0.581936 3.606016 ESP Fit Center 7371 is at -2.742806 -3.774420 3.606016 ESP Fit Center 7372 is at -2.430781 -4.039457 3.606016 ESP Fit Center 7373 is at -2.069075 -4.231221 3.606016 ESP Fit Center 7374 is at -1.674601 -4.340746 3.606016 ESP Fit Center 7375 is at -1.265806 -4.362910 3.606016 ESP Fit Center 7376 is at -0.861804 -4.296678 3.606016 ESP Fit Center 7377 is at -0.481485 -4.145145 3.606016 ESP Fit Center 7378 is at -0.142632 -3.915397 3.606016 ESP Fit Center 7379 is at -3.091733 -3.827742 3.326541 ESP Fit Center 7380 is at -2.804093 -4.129410 3.326541 ESP Fit Center 7381 is at -2.464559 -4.371191 3.326541 ESP Fit Center 7382 is at -2.085404 -4.544345 3.326541 ESP Fit Center 7383 is at -0.457505 -4.466799 3.326541 ESP Fit Center 7384 is at -0.096526 -4.258387 3.326541 ESP Fit Center 7385 is at 0.218487 -3.985427 3.326541 ESP Fit Center 7386 is at -3.398908 -3.844871 3.008923 ESP Fit Center 7387 is at -3.137755 -4.168303 3.008923 ESP Fit Center 7388 is at -2.825698 -4.442948 3.008923 ESP Fit Center 7389 is at -0.083276 -4.559444 3.008923 ESP Fit Center 7390 is at 0.250949 -4.312253 3.008923 ESP Fit Center 7391 is at 0.538590 -4.012134 3.008923 ESP Fit Center 7392 is at -3.523248 -4.038081 2.659077 ESP Fit Center 7393 is at -3.251794 -4.355912 2.659077 ESP Fit Center 7394 is at 0.515184 -4.355912 2.659077 ESP Fit Center 7395 is at 0.786637 -4.038081 2.659077 ESP Fit Center 7396 is at -3.605694 -4.200079 2.283521 ESP Fit Center 7397 is at -3.330302 -4.507434 2.283521 ESP Fit Center 7398 is at 0.737004 -4.358789 2.283521 ESP Fit Center 7399 is at 0.989225 -4.032151 2.283521 ESP Fit Center 7400 is at 0.881760 -4.360453 1.889250 ESP Fit Center 7401 is at 1.122626 -4.028930 1.889250 ESP Fit Center 7402 is at 0.924471 -4.396291 1.483609 ESP Fit Center 7403 is at 1.169908 -4.058475 1.483609 ESP Fit Center 7404 is at 1.365942 -3.689789 1.483609 ESP Fit Center 7405 is at 0.924471 -4.396291 1.074155 ESP Fit Center 7406 is at 1.169908 -4.058475 1.074155 ESP Fit Center 7407 is at 1.365942 -3.689789 1.074155 ESP Fit Center 7408 is at 1.508757 -3.297408 1.074155 ESP Fit Center 7409 is at 0.881760 -4.360453 0.668514 ESP Fit Center 7410 is at 1.122626 -4.028930 0.668514 ESP Fit Center 7411 is at 1.315008 -3.667111 0.668514 ESP Fit Center 7412 is at 1.455163 -3.282040 0.668514 ESP Fit Center 7413 is at 0.737004 -4.358789 0.274243 ESP Fit Center 7414 is at -0.817797 -3.883771 -2.635044 ESP Fit Center 7415 is at -0.560531 -3.556632 -2.635044 ESP Fit Center 7416 is at -1.169207 -3.824625 -2.941817 ESP Fit Center 7417 is at -0.885997 -3.525644 -2.941817 ESP Fit Center 7418 is at -0.673681 -3.172772 -2.941817 ESP Fit Center 7419 is at -0.542185 -2.782508 -2.941817 ESP Fit Center 7420 is at -0.824847 -2.373100 -3.202741 ESP Fit Center 7421 is at -0.878592 -1.964866 -3.202741 ESP Fit Center 7422 is at -1.036165 -1.584452 -3.202741 ESP Fit Center 7423 is at -3.517460 -3.488417 -3.202741 ESP Fit Center 7424 is at -3.190791 -3.739079 -3.202741 ESP Fit Center 7425 is at -1.613495 -3.739079 -3.202741 ESP Fit Center 7426 is at -1.286826 -3.488417 -3.202741 ESP Fit Center 7427 is at -1.036165 -3.161748 -3.202741 ESP Fit Center 7428 is at -0.878592 -2.781334 -3.202741 ESP Fit Center 7429 is at -1.187269 -2.373100 -3.411985 ESP Fit Center 7430 is at -1.260535 -1.957588 -3.411985 ESP Fit Center 7431 is at -3.009580 -3.425212 -3.411985 ESP Fit Center 7432 is at -2.613104 -3.569518 -3.411985 ESP Fit Center 7433 is at -2.191182 -3.569518 -3.411985 ESP Fit Center 7434 is at -1.794706 -3.425212 -3.411985 ESP Fit Center 7435 is at -1.471495 -3.154006 -3.411985 ESP Fit Center 7436 is at -1.260535 -2.788612 -3.411985 ESP Fit Center 7437 is at -1.576829 -2.373100 -3.564876 ESP Fit Center 7438 is at -1.687400 -1.960443 -3.564876 ESP Fit Center 7439 is at -2.814800 -3.087843 -3.564876 ESP Fit Center 7440 is at -2.402143 -3.198415 -3.564876 ESP Fit Center 7441 is at -1.989486 -3.087843 -3.564876 ESP Fit Center 7442 is at -1.687400 -2.785757 -3.564876 ESP Fit Center 7443 is at -1.984825 -2.373100 -3.657998 ESP Fit Center 7444 is at -2.610802 -2.734508 -3.657998 ESP Fit Center 7445 is at -2.193484 -2.734508 -3.657998 ESP Fit Center 7446 is at -2.402143 -2.373100 -3.689272 ESP Fit Center 7447 is at 3.419922 0.570148 2.972745 ESP Fit Center 7448 is at 3.828422 0.570148 2.944803 ESP Fit Center 7449 is at 3.624172 0.923919 2.944803 ESP Fit Center 7450 is at 3.215672 0.923919 2.944803 ESP Fit Center 7451 is at 3.011422 0.570148 2.944803 ESP Fit Center 7452 is at 3.215672 0.216376 2.944803 ESP Fit Center 7453 is at 3.624172 0.216376 2.944803 ESP Fit Center 7454 is at 4.229312 0.570148 2.861497 ESP Fit Center 7455 is at 4.120874 0.974843 2.861497 ESP Fit Center 7456 is at 3.824617 1.271100 2.861497 ESP Fit Center 7457 is at 3.419922 1.379538 2.861497 ESP Fit Center 7458 is at 3.015226 1.271100 2.861497 ESP Fit Center 7459 is at 2.718969 0.165453 2.861497 ESP Fit Center 7460 is at 3.015226 -0.130805 2.861497 ESP Fit Center 7461 is at 4.120874 0.165453 2.861497 ESP Fit Center 7462 is at 4.335500 1.338410 2.724379 ESP Fit Center 7463 is at 4.017523 1.605224 2.724379 ESP Fit Center 7464 is at 3.627467 1.747193 2.724379 ESP Fit Center 7465 is at 3.212377 1.747193 2.724379 ESP Fit Center 7466 is at 4.483853 1.709340 2.536003 ESP Fit Center 7467 is at 4.137049 1.954141 2.536003 ESP Fit Center 7468 is at 3.737059 2.096297 2.536003 ESP Fit Center 7469 is at 4.306742 2.242869 2.299879 ESP Fit Center 7470 is at 3.926423 2.394402 2.299879 ESP Fit Center 7471 is at 4.330722 2.564523 2.020404 ESP Fit Center 7472 is at 3.936825 2.700852 2.020404 ESP Fit Center 7473 is at 4.704951 2.657169 1.702786 ESP Fit Center 7474 is at 4.333759 2.844320 1.702786 ESP Fit Center 7475 is at 4.629196 2.943482 1.352940 ESP Fit Center 7476 is at 4.892507 2.983070 0.977384 ESP Fit Center 7477 is at 4.707528 3.210133 0.583113 ESP Fit Center 7478 is at 5.093590 3.051462 0.177472 ESP Fit Center 7479 is at 5.093590 3.051462 -0.231983 ESP Fit Center 7480 is at 4.731969 3.260244 -0.231983 ESP Fit Center 7481 is at 4.707528 3.210133 -0.637623 ESP Fit Center 7482 is at 4.892507 2.983070 -1.031894 ESP Fit Center 7483 is at 4.525490 3.171767 -1.031894 ESP Fit Center 7484 is at 4.629196 2.943482 -1.407450 ESP Fit Center 7485 is at 4.333759 2.844320 -1.757296 ESP Fit Center 7486 is at 4.330722 2.564523 -2.074915 ESP Fit Center 7487 is at 3.936825 2.700852 -2.074915 ESP Fit Center 7488 is at 4.306742 2.242869 -2.354389 ESP Fit Center 7489 is at 3.926423 2.394402 -2.354389 ESP Fit Center 7490 is at 3.522421 2.460635 -2.354389 ESP Fit Center 7491 is at 4.137049 1.954141 -2.590513 ESP Fit Center 7492 is at 3.737059 2.096297 -2.590513 ESP Fit Center 7493 is at 3.313549 2.125266 -2.590513 ESP Fit Center 7494 is at 4.335500 1.338410 -2.778889 ESP Fit Center 7495 is at 4.017523 1.605224 -2.778889 ESP Fit Center 7496 is at 3.627467 1.747193 -2.778889 ESP Fit Center 7497 is at 3.212377 1.747193 -2.778889 ESP Fit Center 7498 is at 4.229312 0.570148 -2.916007 ESP Fit Center 7499 is at 4.120874 0.974843 -2.916007 ESP Fit Center 7500 is at 3.824617 1.271100 -2.916007 ESP Fit Center 7501 is at 3.419922 1.379538 -2.916007 ESP Fit Center 7502 is at 3.015226 1.271100 -2.916007 ESP Fit Center 7503 is at 2.718969 0.165453 -2.916007 ESP Fit Center 7504 is at 3.015226 -0.130805 -2.916007 ESP Fit Center 7505 is at 3.828422 0.570148 -2.999313 ESP Fit Center 7506 is at 3.624172 0.923919 -2.999313 ESP Fit Center 7507 is at 3.215672 0.923919 -2.999313 ESP Fit Center 7508 is at 3.011422 0.570148 -2.999313 ESP Fit Center 7509 is at 3.215672 0.216376 -2.999313 ESP Fit Center 7510 is at 3.624172 0.216376 -2.999313 ESP Fit Center 7511 is at 3.419922 0.570148 -3.027255 ESP Fit Center 7512 is at 0.015591 3.784788 2.920633 ESP Fit Center 7513 is at 0.432910 3.784788 2.889359 ESP Fit Center 7514 is at 0.224250 4.146196 2.889359 ESP Fit Center 7515 is at -0.193068 4.146196 2.889359 ESP Fit Center 7516 is at -0.401727 3.784788 2.889359 ESP Fit Center 7517 is at 0.840906 3.784788 2.796237 ESP Fit Center 7518 is at 0.730335 4.197445 2.796237 ESP Fit Center 7519 is at 0.428248 4.499531 2.796237 ESP Fit Center 7520 is at 0.015591 4.610102 2.796237 ESP Fit Center 7521 is at -0.397066 4.499531 2.796237 ESP Fit Center 7522 is at -0.699152 4.197445 2.796237 ESP Fit Center 7523 is at -0.809723 3.784788 2.796237 ESP Fit Center 7524 is at -0.699152 3.372130 2.796237 ESP Fit Center 7525 is at 1.157200 4.200299 2.643346 ESP Fit Center 7526 is at 0.946239 4.565694 2.643346 ESP Fit Center 7527 is at 0.623028 4.836900 2.643346 ESP Fit Center 7528 is at 0.226552 4.981205 2.643346 ESP Fit Center 7529 is at -0.195369 4.981205 2.643346 ESP Fit Center 7530 is at -0.591846 4.836900 2.643346 ESP Fit Center 7531 is at -0.915057 4.565694 2.643346 ESP Fit Center 7532 is at -1.126017 4.200299 2.643346 ESP Fit Center 7533 is at -1.199283 3.784788 2.643346 ESP Fit Center 7534 is at -1.126017 3.369276 2.643346 ESP Fit Center 7535 is at 1.539142 4.193022 2.434102 ESP Fit Center 7536 is at 1.381570 4.573436 2.434102 ESP Fit Center 7537 is at 1.130908 4.900104 2.434102 ESP Fit Center 7538 is at 0.804239 5.150766 2.434102 ESP Fit Center 7539 is at 0.423826 5.308339 2.434102 ESP Fit Center 7540 is at 0.015591 5.362084 2.434102 ESP Fit Center 7541 is at -0.392643 5.308339 2.434102 ESP Fit Center 7542 is at -0.773057 5.150766 2.434102 ESP Fit Center 7543 is at -1.099726 4.900104 2.434102 ESP Fit Center 7544 is at -1.350387 4.573436 2.434102 ESP Fit Center 7545 is at -1.507960 4.193022 2.434102 ESP Fit Center 7546 is at -1.561705 3.784788 2.434102 ESP Fit Center 7547 is at -1.507960 3.376553 2.434102 ESP Fit Center 7548 is at 1.744054 4.584460 2.173178 ESP Fit Center 7549 is at 1.531737 4.937332 2.173178 ESP Fit Center 7550 is at 1.248528 5.236313 2.173178 ESP Fit Center 7551 is at 0.907667 5.467422 2.173178 ESP Fit Center 7552 is at 0.525095 5.619853 2.173178 ESP Fit Center 7553 is at 0.118698 5.686478 2.173178 ESP Fit Center 7554 is at -0.292520 5.664183 2.173178 ESP Fit Center 7555 is at -0.689331 5.554009 2.173178 ESP Fit Center 7556 is at -1.053180 5.361108 2.173178 ESP Fit Center 7557 is at -1.367055 5.094500 2.173178 ESP Fit Center 7558 is at -1.616279 4.766652 2.173178 ESP Fit Center 7559 is at -1.789199 4.392892 2.173178 ESP Fit Center 7560 is at -1.877728 3.990699 2.173178 ESP Fit Center 7561 is at 1.857203 4.968320 1.866405 ESP Fit Center 7562 is at 1.599938 5.295459 1.866405 ESP Fit Center 7563 is at 1.285410 5.567999 1.866405 ESP Fit Center 7564 is at 0.924988 5.776089 1.866405 ESP Fit Center 7565 is at 0.531698 5.912208 1.866405 ESP Fit Center 7566 is at 0.119754 5.971436 1.866405 ESP Fit Center 7567 is at -0.295954 5.951634 1.866405 ESP Fit Center 7568 is at -0.700402 5.853516 1.866405 ESP Fit Center 7569 is at -1.078973 5.680628 1.866405 ESP Fit Center 7570 is at -1.417983 5.439220 1.866405 ESP Fit Center 7571 is at -1.705180 5.138017 1.866405 ESP Fit Center 7572 is at -1.930183 4.787904 1.866405 ESP Fit Center 7573 is at -2.084862 4.401536 1.866405 ESP Fit Center 7574 is at -2.163624 3.992878 1.866405 ESP Fit Center 7575 is at 2.132538 4.967385 1.520633 ESP Fit Center 7576 is at 1.902228 5.308140 1.520633 ESP Fit Center 7577 is at 1.617642 5.605071 1.520633 ESP Fit Center 7578 is at 1.286969 5.849636 1.520633 ESP Fit Center 7579 is at 0.919720 6.034799 1.520633 ESP Fit Center 7580 is at 0.526461 6.155233 1.520633 ESP Fit Center 7581 is at 0.118506 6.207474 1.520633 ESP Fit Center 7582 is at -0.292411 6.190018 1.520633 ESP Fit Center 7583 is at -0.694466 6.103369 1.520633 ESP Fit Center 7584 is at -1.076095 5.950018 1.520633 ESP Fit Center 7585 is at -1.426318 5.734377 1.520633 ESP Fit Center 7586 is at -1.735059 5.462650 1.520633 ESP Fit Center 7587 is at -1.993438 5.142654 1.520633 ESP Fit Center 7588 is at -2.194020 4.783595 1.520633 ESP Fit Center 7589 is at -2.331036 4.395802 1.520633 ESP Fit Center 7590 is at 2.124251 5.316818 1.143588 ESP Fit Center 7591 is at 1.858627 5.627824 1.143588 ESP Fit Center 7592 is at 1.547622 5.893447 1.143588 ESP Fit Center 7593 is at 1.198893 6.107149 1.143588 ESP Fit Center 7594 is at 0.821028 6.263666 1.143588 ESP Fit Center 7595 is at 0.423329 6.359144 1.143588 ESP Fit Center 7596 is at 0.015591 6.391234 1.143588 ESP Fit Center 7597 is at -0.392147 6.359144 1.143588 ESP Fit Center 7598 is at -0.789845 6.263666 1.143588 ESP Fit Center 7599 is at -1.167711 6.107149 1.143588 ESP Fit Center 7600 is at -1.516440 5.893447 1.143588 ESP Fit Center 7601 is at -1.827445 5.627824 1.143588 ESP Fit Center 7602 is at -2.093068 5.316818 1.143588 ESP Fit Center 7603 is at -2.306770 4.968090 1.143588 ESP Fit Center 7604 is at -2.463287 4.590224 1.143588 ESP Fit Center 7605 is at 2.248373 5.355291 0.743692 ESP Fit Center 7606 is at 1.982470 5.677718 0.743692 ESP Fit Center 7607 is at 1.670464 5.955777 0.743692 ESP Fit Center 7608 is at 1.319670 6.182949 0.743692 ESP Fit Center 7609 is at 0.938309 6.353910 0.743692 ESP Fit Center 7610 is at 0.535321 6.464653 0.743692 ESP Fit Center 7611 is at 0.120150 6.512583 0.743692 ESP Fit Center 7612 is at -0.297471 6.496575 0.743692 ESP Fit Center 7613 is at -0.707755 6.417005 0.743692 ESP Fit Center 7614 is at -1.101084 6.275738 0.743692 ESP Fit Center 7615 is at -1.468238 6.076086 0.743692 ESP Fit Center 7616 is at -1.800614 5.822727 0.743692 ESP Fit Center 7617 is at -2.090418 5.521601 0.743692 ESP Fit Center 7618 is at -2.330860 5.179766 0.743692 ESP Fit Center 7619 is at -2.516303 4.805233 0.743692 ESP Fit Center 7620 is at 2.062397 5.683946 0.329877 ESP Fit Center 7621 is at 1.756481 5.967795 0.329877 ESP Fit Center 7622 is at 1.411677 6.202878 0.329877 ESP Fit Center 7623 is at 1.035686 6.383946 0.329877 ESP Fit Center 7624 is at 0.636908 6.506953 0.329877 ESP Fit Center 7625 is at 0.224250 6.569151 0.329877 ESP Fit Center 7626 is at -0.193068 6.569151 0.329877 ESP Fit Center 7627 is at -0.605725 6.506953 0.329877 ESP Fit Center 7628 is at -1.004503 6.383946 0.329877 ESP Fit Center 7629 is at -1.380494 6.202878 0.329877 ESP Fit Center 7630 is at -1.725299 5.967795 0.329877 ESP Fit Center 7631 is at -2.031215 5.683946 0.329877 ESP Fit Center 7632 is at -2.291408 5.357673 0.329877 ESP Fit Center 7633 is at -2.500068 4.996265 0.329877 ESP Fit Center 7634 is at -2.652531 4.607794 0.329877 ESP Fit Center 7635 is at 2.062397 5.683946 -0.088611 ESP Fit Center 7636 is at 1.756481 5.967795 -0.088611 ESP Fit Center 7637 is at 1.411677 6.202878 -0.088611 ESP Fit Center 7638 is at 1.035686 6.383946 -0.088611 ESP Fit Center 7639 is at 0.636908 6.506953 -0.088611 ESP Fit Center 7640 is at 0.224250 6.569151 -0.088611 ESP Fit Center 7641 is at -0.193068 6.569151 -0.088611 ESP Fit Center 7642 is at -0.605725 6.506953 -0.088611 ESP Fit Center 7643 is at -1.004503 6.383946 -0.088611 ESP Fit Center 7644 is at -1.380494 6.202878 -0.088611 ESP Fit Center 7645 is at -1.725299 5.967795 -0.088611 ESP Fit Center 7646 is at -2.031215 5.683946 -0.088611 ESP Fit Center 7647 is at -2.291408 5.357673 -0.088611 ESP Fit Center 7648 is at -2.500068 4.996265 -0.088611 ESP Fit Center 7649 is at -2.652531 4.607794 -0.088611 ESP Fit Center 7650 is at 2.248373 5.355291 -0.502425 ESP Fit Center 7651 is at 1.982470 5.677718 -0.502425 ESP Fit Center 7652 is at 1.670464 5.955777 -0.502425 ESP Fit Center 7653 is at 1.319670 6.182949 -0.502425 ESP Fit Center 7654 is at 0.938309 6.353910 -0.502425 ESP Fit Center 7655 is at 0.535321 6.464653 -0.502425 ESP Fit Center 7656 is at 0.120150 6.512583 -0.502425 ESP Fit Center 7657 is at -0.297471 6.496575 -0.502425 ESP Fit Center 7658 is at -0.707755 6.417005 -0.502425 ESP Fit Center 7659 is at -1.101084 6.275738 -0.502425 ESP Fit Center 7660 is at -1.468238 6.076086 -0.502425 ESP Fit Center 7661 is at -1.800614 5.822727 -0.502425 ESP Fit Center 7662 is at -2.090418 5.521601 -0.502425 ESP Fit Center 7663 is at -2.330860 5.179766 -0.502425 ESP Fit Center 7664 is at -2.516303 4.805233 -0.502425 ESP Fit Center 7665 is at 2.124251 5.316818 -0.902322 ESP Fit Center 7666 is at 1.858627 5.627824 -0.902322 ESP Fit Center 7667 is at 1.547622 5.893447 -0.902322 ESP Fit Center 7668 is at 1.198893 6.107149 -0.902322 ESP Fit Center 7669 is at 0.821028 6.263666 -0.902322 ESP Fit Center 7670 is at 0.423329 6.359144 -0.902322 ESP Fit Center 7671 is at 0.015591 6.391234 -0.902322 ESP Fit Center 7672 is at -0.392147 6.359144 -0.902322 ESP Fit Center 7673 is at -0.789845 6.263666 -0.902322 ESP Fit Center 7674 is at -1.167711 6.107149 -0.902322 ESP Fit Center 7675 is at -1.516440 5.893447 -0.902322 ESP Fit Center 7676 is at -1.827445 5.627824 -0.902322 ESP Fit Center 7677 is at -2.093068 5.316818 -0.902322 ESP Fit Center 7678 is at -2.306770 4.968090 -0.902322 ESP Fit Center 7679 is at -2.463287 4.590224 -0.902322 ESP Fit Center 7680 is at 2.132538 4.967385 -1.279367 ESP Fit Center 7681 is at 1.902228 5.308140 -1.279367 ESP Fit Center 7682 is at 1.617642 5.605071 -1.279367 ESP Fit Center 7683 is at 1.286969 5.849636 -1.279367 ESP Fit Center 7684 is at 0.919720 6.034799 -1.279367 ESP Fit Center 7685 is at 0.526461 6.155233 -1.279367 ESP Fit Center 7686 is at 0.118506 6.207474 -1.279367 ESP Fit Center 7687 is at -0.292411 6.190018 -1.279367 ESP Fit Center 7688 is at -0.694466 6.103369 -1.279367 ESP Fit Center 7689 is at -1.076095 5.950018 -1.279367 ESP Fit Center 7690 is at -1.426318 5.734377 -1.279367 ESP Fit Center 7691 is at -1.735059 5.462650 -1.279367 ESP Fit Center 7692 is at -1.993438 5.142654 -1.279367 ESP Fit Center 7693 is at -2.194020 4.783595 -1.279367 ESP Fit Center 7694 is at -2.331036 4.395802 -1.279367 ESP Fit Center 7695 is at 1.857203 4.968320 -1.625138 ESP Fit Center 7696 is at 1.599938 5.295459 -1.625138 ESP Fit Center 7697 is at 1.285410 5.567999 -1.625138 ESP Fit Center 7698 is at 0.924988 5.776089 -1.625138 ESP Fit Center 7699 is at 0.531698 5.912208 -1.625138 ESP Fit Center 7700 is at 0.119754 5.971436 -1.625138 ESP Fit Center 7701 is at -0.295954 5.951634 -1.625138 ESP Fit Center 7702 is at -0.700402 5.853516 -1.625138 ESP Fit Center 7703 is at -1.078973 5.680628 -1.625138 ESP Fit Center 7704 is at -1.417983 5.439220 -1.625138 ESP Fit Center 7705 is at -1.705180 5.138017 -1.625138 ESP Fit Center 7706 is at -1.930183 4.787904 -1.625138 ESP Fit Center 7707 is at -2.084862 4.401536 -1.625138 ESP Fit Center 7708 is at 1.744054 4.584460 -1.931912 ESP Fit Center 7709 is at 1.531737 4.937332 -1.931912 ESP Fit Center 7710 is at 1.248528 5.236313 -1.931912 ESP Fit Center 7711 is at 0.907667 5.467422 -1.931912 ESP Fit Center 7712 is at 0.525095 5.619853 -1.931912 ESP Fit Center 7713 is at 0.118698 5.686478 -1.931912 ESP Fit Center 7714 is at -0.292520 5.664183 -1.931912 ESP Fit Center 7715 is at -0.689331 5.554009 -1.931912 ESP Fit Center 7716 is at -1.053180 5.361108 -1.931912 ESP Fit Center 7717 is at -1.367055 5.094500 -1.931912 ESP Fit Center 7718 is at -1.616279 4.766652 -1.931912 ESP Fit Center 7719 is at -1.789199 4.392892 -1.931912 ESP Fit Center 7720 is at -1.877728 3.990699 -1.931912 ESP Fit Center 7721 is at 1.381570 4.573436 -2.192835 ESP Fit Center 7722 is at 1.130908 4.900104 -2.192835 ESP Fit Center 7723 is at 0.804239 5.150766 -2.192835 ESP Fit Center 7724 is at 0.423826 5.308339 -2.192835 ESP Fit Center 7725 is at 0.015591 5.362084 -2.192835 ESP Fit Center 7726 is at -0.392643 5.308339 -2.192835 ESP Fit Center 7727 is at -0.773057 5.150766 -2.192835 ESP Fit Center 7728 is at -1.099726 4.900104 -2.192835 ESP Fit Center 7729 is at -1.350387 4.573436 -2.192835 ESP Fit Center 7730 is at -1.507960 4.193022 -2.192835 ESP Fit Center 7731 is at -1.561705 3.784788 -2.192835 ESP Fit Center 7732 is at 1.157200 4.200299 -2.402080 ESP Fit Center 7733 is at 0.946239 4.565694 -2.402080 ESP Fit Center 7734 is at 0.623028 4.836900 -2.402080 ESP Fit Center 7735 is at 0.226552 4.981205 -2.402080 ESP Fit Center 7736 is at -0.195369 4.981205 -2.402080 ESP Fit Center 7737 is at -0.591846 4.836900 -2.402080 ESP Fit Center 7738 is at -0.915057 4.565694 -2.402080 ESP Fit Center 7739 is at -1.126017 4.200299 -2.402080 ESP Fit Center 7740 is at -1.199283 3.784788 -2.402080 ESP Fit Center 7741 is at 0.730335 4.197445 -2.554971 ESP Fit Center 7742 is at 0.428248 4.499531 -2.554971 ESP Fit Center 7743 is at 0.015591 4.610102 -2.554971 ESP Fit Center 7744 is at -0.397066 4.499531 -2.554971 ESP Fit Center 7745 is at -0.699152 4.197445 -2.554971 ESP Fit Center 7746 is at -0.809723 3.784788 -2.554971 ESP Fit Center 7747 is at 0.224250 4.146196 -2.648093 ESP Fit Center 7748 is at -0.193068 4.146196 -2.648093 ESP Fit Center 7749 is at -0.401727 3.784788 -2.648093 ESP Fit Center 7750 is at 0.015591 3.784788 -2.679367 ESP Fit Center 7751 is at 0.377106 2.604453 3.064137 ESP Fit Center 7752 is at 0.785606 2.604453 3.036195 ESP Fit Center 7753 is at 0.581356 2.958225 3.036195 ESP Fit Center 7754 is at 0.172856 2.958225 3.036195 ESP Fit Center 7755 is at -0.031394 2.604453 3.036195 ESP Fit Center 7756 is at 0.172856 2.250682 3.036195 ESP Fit Center 7757 is at 0.581356 2.250682 3.036195 ESP Fit Center 7758 is at 1.078059 3.009148 2.952889 ESP Fit Center 7759 is at 0.781801 3.305406 2.952889 ESP Fit Center 7760 is at 0.377106 3.413844 2.952889 ESP Fit Center 7761 is at -0.027589 3.305406 2.952889 ESP Fit Center 7762 is at -0.323846 3.009148 2.952889 ESP Fit Center 7763 is at -0.432284 2.604453 2.952889 ESP Fit Center 7764 is at -0.323846 2.199758 2.952889 ESP Fit Center 7765 is at -0.027589 1.903501 2.952889 ESP Fit Center 7766 is at 0.377106 1.795063 2.952889 ESP Fit Center 7767 is at 0.781801 1.903501 2.952889 ESP Fit Center 7768 is at 1.292685 3.372715 2.815771 ESP Fit Center 7769 is at 0.974708 3.639530 2.815771 ESP Fit Center 7770 is at -0.746018 3.013237 2.815771 ESP Fit Center 7771 is at -0.818097 2.604453 2.815771 ESP Fit Center 7772 is at 0.584651 1.427408 2.815771 ESP Fit Center 7773 is at 1.094233 3.988446 -2.499121 ESP Fit Center 7774 is at -1.052599 3.225462 -2.499121 ESP Fit Center 7775 is at 0.974708 3.639530 -2.687496 ESP Fit Center 7776 is at 0.584651 3.781499 -2.687496 ESP Fit Center 7777 is at 0.169561 3.781499 -2.687496 ESP Fit Center 7778 is at -0.220496 3.639530 -2.687496 ESP Fit Center 7779 is at -0.538473 3.372715 -2.687496 ESP Fit Center 7780 is at -0.746018 3.013237 -2.687496 ESP Fit Center 7781 is at 1.078059 3.009148 -2.824614 ESP Fit Center 7782 is at 0.781801 3.305406 -2.824614 ESP Fit Center 7783 is at 0.377106 3.413844 -2.824614 ESP Fit Center 7784 is at -0.027589 3.305406 -2.824614 ESP Fit Center 7785 is at -0.323846 3.009148 -2.824614 ESP Fit Center 7786 is at -0.432284 2.604453 -2.824614 ESP Fit Center 7787 is at 0.377106 1.795063 -2.824614 ESP Fit Center 7788 is at 0.781801 1.903501 -2.824614 ESP Fit Center 7789 is at 0.785606 2.604453 -2.907920 ESP Fit Center 7790 is at 0.581356 2.958225 -2.907920 ESP Fit Center 7791 is at 0.172856 2.958225 -2.907920 ESP Fit Center 7792 is at 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ESP Fit Center 7811 is at 0.631067 1.539511 -2.736542 ESP Fit Center 7812 is at -0.771681 2.716556 -2.736542 ESP Fit Center 7813 is at -1.161738 2.574587 -2.736542 ESP Fit Center 7814 is at 0.245254 1.539511 -2.873660 ESP Fit Center 7815 is at 0.136816 1.944206 -2.873660 ESP Fit Center 7816 is at -0.159441 2.240463 -2.873660 ESP Fit Center 7817 is at -0.564137 2.348901 -2.873660 ESP Fit Center 7818 is at -0.968832 2.240463 -2.873660 ESP Fit Center 7819 is at -0.155637 1.539511 -2.956966 ESP Fit Center 7820 is at -0.359887 1.893282 -2.956966 ESP Fit Center 7821 is at -0.768387 1.893282 -2.956966 ESP Fit Center 7822 is at -0.972637 1.539511 -2.956966 ESP Fit Center 7823 is at -0.768387 1.185739 -2.956966 ESP Fit Center 7824 is at -0.359887 1.185739 -2.956966 ESP Fit Center 7825 is at -0.564137 1.539511 -2.984908 ESP Fit Center 7826 is at -1.272253 2.003224 2.912175 ESP Fit Center 7827 is at -1.568511 2.299481 2.912175 ESP Fit Center 7828 is at -1.375604 2.633605 2.775057 ESP Fit Center 7829 is at -1.765661 2.775574 2.775057 ESP Fit Center 7830 is at -1.256079 2.982521 2.586682 ESP Fit Center 7831 is at -1.656069 3.124678 2.586682 ESP Fit Center 7832 is at -2.079579 3.153647 2.586682 ESP Fit Center 7833 is at -1.870707 3.489016 2.350557 ESP Fit Center 7834 is at -2.279502 3.466852 2.350557 ESP Fit Center 7835 is at -2.285232 3.768720 2.071083 ESP Fit Center 7836 is at -2.690305 3.670450 2.071083 ESP Fit Center 7837 is at -2.284515 4.029587 1.753464 ESP Fit Center 7838 is at -2.690888 3.942007 1.753464 ESP Fit Center 7839 is at -2.796321 4.131816 1.403619 ESP Fit Center 7840 is at -2.885919 4.273908 1.028062 ESP Fit Center 7841 is at -2.683792 4.448532 0.633792 ESP Fit Center 7842 is at -3.073520 4.321901 0.633792 ESP Fit Center 7843 is at -2.697280 4.502630 0.228151 ESP Fit Center 7844 is at -3.094406 4.373596 0.228151 ESP Fit Center 7845 is at -2.697280 4.502630 -0.181304 ESP Fit Center 7846 is at -3.094406 4.373596 -0.181304 ESP Fit Center 7847 is at -2.683792 4.448532 -0.586945 ESP Fit Center 7848 is at -3.073520 4.321901 -0.586945 ESP Fit Center 7849 is at -2.885919 4.273908 -0.981215 ESP Fit Center 7850 is at -2.389894 4.229390 -1.356772 ESP Fit Center 7851 is at -2.796321 4.131816 -1.356772 ESP Fit Center 7852 is at -2.284515 4.029587 -1.706617 ESP Fit Center 7853 is at -2.690888 3.942007 -1.706617 ESP Fit Center 7854 is at -1.868882 3.788553 -2.024236 ESP Fit Center 7855 is at -2.285232 3.768720 -2.024236 ESP Fit Center 7856 is at -1.466704 3.422783 -2.303710 ESP Fit Center 7857 is at -1.870707 3.489016 -2.303710 ESP Fit Center 7858 is at -2.279502 3.466852 -2.303710 ESP Fit Center 7859 is at -1.256079 2.982521 -2.539835 ESP Fit Center 7860 is at -1.656069 3.124678 -2.539835 ESP Fit Center 7861 is at -2.079579 3.153647 -2.539835 ESP Fit Center 7862 is at -1.375604 2.633605 -2.728210 ESP Fit Center 7863 is at -1.765661 2.775574 -2.728210 ESP Fit Center 7864 is at -1.272253 2.003224 -2.865328 ESP Fit Center 7865 is at -0.135720 -0.895865 -2.832450 ESP Fit Center 7866 is at -0.449453 -0.487082 -2.969568 ESP Fit Center 7867 is at -0.557891 -0.891777 -2.969568 ESP Fit Center 7868 is at -0.158645 0.300509 2.956310 ESP Fit Center 7869 is at 0.249855 0.300509 2.928368 ESP Fit Center 7870 is at 0.045605 0.654281 2.928368 ESP Fit Center 7871 is at -0.362895 0.654281 2.928368 ESP Fit Center 7872 is at -0.567145 0.300509 2.928368 ESP Fit Center 7873 is at 0.542308 0.705205 2.845062 ESP Fit Center 7874 is at 0.756934 1.068771 2.707944 ESP Fit Center 7875 is at 0.048900 -0.876536 -2.795323 ESP Fit Center 7876 is at 0.542308 0.705205 -2.932441 ESP Fit Center 7877 is at 0.246050 1.001462 -2.932441 ESP Fit Center 7878 is at -0.158645 1.109900 -2.932441 ESP Fit Center 7879 is at -0.158645 -0.508881 -2.932441 ESP Fit Center 7880 is at 0.246050 -0.400443 -2.932441 ESP Fit Center 7881 is at 0.249855 0.300509 -3.015747 ESP Fit Center 7882 is at 0.045605 0.654281 -3.015747 ESP Fit Center 7883 is at -0.362895 0.654281 -3.015747 ESP Fit Center 7884 is at -0.567145 0.300509 -3.015747 ESP Fit Center 7885 is at -0.362895 -0.053262 -3.015747 ESP Fit Center 7886 is at 0.045605 -0.053262 -3.015747 ESP Fit Center 7887 is at -0.158645 0.300509 -3.043690 ESP Fit Center 7888 is at 1.183616 -0.052980 2.939974 ESP Fit Center 7889 is at 1.592116 -0.052980 2.912031 ESP Fit Center 7890 is at 1.387866 0.300791 2.912031 ESP Fit Center 7891 is at 0.979366 0.300791 2.912031 ESP Fit Center 7892 is at 0.775116 -0.052980 2.912031 ESP Fit Center 7893 is at 0.979366 -0.406751 2.912031 ESP Fit Center 7894 is at 1.387866 -0.406751 2.912031 ESP Fit Center 7895 is at 0.778921 0.647973 2.828725 ESP Fit Center 7896 is at 1.588311 -0.753933 2.828725 ESP Fit Center 7897 is at 1.884569 -0.457675 2.828725 ESP Fit Center 7898 is at 1.781218 -1.088056 2.691608 ESP Fit Center 7899 is at 2.099195 -0.821242 2.691608 ESP Fit Center 7900 is at 2.306740 -0.461764 2.691608 ESP Fit Center 7901 is at 1.900743 -1.436973 2.503232 ESP Fit Center 7902 is at 2.247547 -1.192172 2.503232 ESP Fit Center 7903 is at 2.070437 -1.725701 2.267107 ESP Fit Center 7904 is at 1.700519 -2.183685 -2.107686 ESP Fit Center 7905 is at 1.286115 -1.943467 -2.387160 ESP Fit Center 7906 is at 1.690118 -1.877234 -2.387160 ESP Fit Center 7907 is at 2.070437 -1.725701 -2.387160 ESP Fit Center 7908 is at 1.077243 -1.608098 -2.623285 ESP Fit Center 7909 is at 1.500753 -1.579129 -2.623285 ESP Fit Center 7910 is at 1.900743 -1.436973 -2.623285 ESP Fit Center 7911 is at 2.247547 -1.192172 -2.623285 ESP Fit Center 7912 is at 0.976071 1.124065 -2.811660 ESP Fit Center 7913 is at 0.268037 -0.821242 -2.811660 ESP Fit Center 7914 is at 0.586014 -1.088056 -2.811660 ESP Fit Center 7915 is at 0.976071 -1.230026 -2.811660 ESP Fit Center 7916 is at 1.391161 -1.230026 -2.811660 ESP Fit Center 7917 is at 1.781218 -1.088056 -2.811660 ESP Fit Center 7918 is at 2.099195 -0.821242 -2.811660 ESP Fit Center 7919 is at 2.306740 -0.461764 -2.811660 ESP Fit Center 7920 is at 1.993006 -0.052980 -2.948778 ESP Fit Center 7921 is at 1.183616 0.756410 -2.948778 ESP Fit Center 7922 is at 0.778921 0.647973 -2.948778 ESP Fit Center 7923 is at 0.482663 -0.457675 -2.948778 ESP Fit Center 7924 is at 0.778921 -0.753933 -2.948778 ESP Fit Center 7925 is at 1.183616 -0.862370 -2.948778 ESP Fit Center 7926 is at 1.588311 -0.753933 -2.948778 ESP Fit Center 7927 is at 1.884569 -0.457675 -2.948778 ESP Fit Center 7928 is at 1.592116 -0.052980 -3.032084 ESP Fit Center 7929 is at 1.387866 0.300791 -3.032084 ESP Fit Center 7930 is at 0.979366 0.300791 -3.032084 ESP Fit Center 7931 is at 0.775116 -0.052980 -3.032084 ESP Fit Center 7932 is at 0.979366 -0.406751 -3.032084 ESP Fit Center 7933 is at 1.387866 -0.406751 -3.032084 ESP Fit Center 7934 is at 1.183616 -0.052980 -3.060026 ESP Fit Center 7935 is at 2.060208 0.883472 2.983775 ESP Fit Center 7936 is at 2.468708 0.883472 2.955833 ESP Fit Center 7937 is at 2.264458 1.237243 2.955833 ESP Fit Center 7938 is at 1.855958 1.237243 2.955833 ESP Fit Center 7939 is at 1.651708 0.883472 2.955833 ESP Fit Center 7940 is at 1.855958 0.529701 2.955833 ESP Fit Center 7941 is at 2.264458 0.529701 2.955833 ESP Fit Center 7942 is at 2.761161 1.288167 2.872527 ESP Fit Center 7943 is at 2.464903 1.584425 2.872527 ESP Fit Center 7944 is at 1.359256 1.288167 2.872527 ESP Fit Center 7945 is at 1.250818 0.883472 2.872527 ESP Fit Center 7946 is at 2.060208 0.074082 2.872527 ESP Fit Center 7947 is at 2.464903 0.182519 2.872527 ESP Fit Center 7948 is at 2.267753 -0.293573 2.735409 ESP Fit Center 7949 is at 2.657810 1.918548 -2.767859 ESP Fit Center 7950 is at 0.937085 1.292256 -2.767859 ESP Fit Center 7951 is at 2.761161 1.288167 -2.904977 ESP Fit Center 7952 is at 2.464903 1.584425 -2.904977 ESP Fit Center 7953 is at 2.060208 1.692862 -2.904977 ESP Fit Center 7954 is at 1.655513 1.584425 -2.904977 ESP Fit Center 7955 is at 1.359256 1.288167 -2.904977 ESP Fit Center 7956 is at 2.464903 0.182519 -2.904977 ESP Fit Center 7957 is at 2.468708 0.883472 -2.988283 ESP Fit Center 7958 is at 2.264458 1.237243 -2.988283 ESP Fit Center 7959 is at 1.855958 1.237243 -2.988283 ESP Fit Center 7960 is at 1.651708 0.883472 -2.988283 ESP Fit Center 7961 is at 1.855958 0.529701 -2.988283 ESP Fit Center 7962 is at 2.264458 0.529701 -2.988283 ESP Fit Center 7963 is at 2.060208 0.883472 -3.016225 ESP Fit Center 7964 is at 1.668274 2.267883 3.046693 ESP Fit Center 7965 is at 2.076774 2.267883 3.018750 ESP Fit Center 7966 is at 1.872524 2.621655 3.018750 ESP Fit Center 7967 is at 1.464024 2.621655 3.018750 ESP Fit Center 7968 is at 1.259774 2.267883 3.018750 ESP Fit Center 7969 is at 1.464024 1.914112 3.018750 ESP Fit Center 7970 is at 1.872524 1.914112 3.018750 ESP Fit Center 7971 is at 2.477664 2.267883 2.935444 ESP Fit Center 7972 is at 2.369226 2.672578 2.935444 ESP Fit Center 7973 is at 2.072969 2.968836 2.935444 ESP Fit Center 7974 is at 1.668274 3.077274 2.935444 ESP Fit Center 7975 is at 1.263579 2.968836 2.935444 ESP Fit Center 7976 is at 0.967321 1.863188 2.935444 ESP Fit Center 7977 is at 1.263579 1.566931 2.935444 ESP Fit Center 7978 is at 1.668274 1.458493 2.935444 ESP Fit Center 7979 is at 2.072969 1.566931 2.935444 ESP Fit Center 7980 is at 2.369226 1.863188 2.935444 ESP Fit Center 7981 is at 2.863477 2.267883 2.798326 ESP Fit Center 7982 is at 2.791398 2.676667 2.798326 ESP Fit Center 7983 is at 2.583853 3.036145 2.798326 ESP Fit Center 7984 is at 2.265876 3.302960 2.798326 ESP Fit Center 7985 is at 1.875819 3.444929 2.798326 ESP Fit Center 7986 is at 1.460729 3.444929 2.798326 ESP Fit Center 7987 is at 1.070672 1.232807 2.798326 ESP Fit Center 7988 is at 2.791398 1.859100 2.798326 ESP Fit Center 7989 is at 3.227026 2.267883 2.609951 ESP Fit Center 7990 is at 3.169223 2.688430 2.609951 ESP Fit Center 7991 is at 3.000102 3.077786 2.609951 ESP Fit Center 7992 is at 2.732205 3.407075 2.609951 ESP Fit Center 7993 is at 2.385401 3.651876 2.609951 ESP Fit Center 7994 is at 1.985411 3.794032 2.609951 ESP Fit Center 7995 is at 1.561901 3.823001 2.609951 ESP Fit Center 7996 is at 3.517274 2.674879 2.373826 ESP Fit Center 7997 is at 3.386554 3.062844 2.373826 ESP Fit Center 7998 is at 3.175488 3.413638 2.373826 ESP Fit Center 7999 is at 2.893947 3.710857 2.373826 ESP Fit Center 8000 is at 2.555095 3.940605 2.373826 ESP Fit Center 8001 is at 2.174776 4.092138 2.373826 ESP Fit Center 8002 is at 1.770773 4.158371 2.373826 ESP Fit Center 8003 is at 3.821160 2.682818 2.094352 ESP Fit Center 8004 is at 3.703728 3.082756 2.094352 ESP Fit Center 8005 is at 2.185177 4.398588 2.094352 ESP Fit Center 8006 is at 2.184630 4.663783 -1.683348 ESP Fit Center 8007 is at 3.703728 3.082756 -2.000967 ESP Fit Center 8008 is at 3.512729 3.453243 -2.000967 ESP Fit Center 8009 is at 3.255066 3.780887 -2.000967 ESP Fit Center 8010 is at 2.940053 4.053848 -2.000967 ESP Fit Center 8011 is at 2.579075 4.262259 -2.000967 ESP Fit Center 8012 is at 2.185177 4.398588 -2.000967 ESP Fit Center 8013 is at 1.772598 4.457908 -2.000967 ESP Fit Center 8014 is at 3.517274 2.674879 -2.280441 ESP Fit Center 8015 is at 3.386554 3.062844 -2.280441 ESP Fit Center 8016 is at 3.175488 3.413638 -2.280441 ESP Fit Center 8017 is at 2.893947 3.710857 -2.280441 ESP Fit Center 8018 is at 2.555095 3.940605 -2.280441 ESP Fit Center 8019 is at 2.174776 4.092138 -2.280441 ESP Fit Center 8020 is at 1.770773 4.158371 -2.280441 ESP Fit Center 8021 is at 3.227026 2.267883 -2.516566 ESP Fit Center 8022 is at 3.169223 2.688430 -2.516566 ESP Fit Center 8023 is at 3.000102 3.077786 -2.516566 ESP Fit Center 8024 is at 2.732205 3.407075 -2.516566 ESP Fit Center 8025 is at 2.385401 3.651876 -2.516566 ESP Fit Center 8026 is at 1.985411 3.794032 -2.516566 ESP Fit Center 8027 is at 1.561901 3.823001 -2.516566 ESP Fit Center 8028 is at 2.863477 2.267883 -2.704941 ESP Fit Center 8029 is at 2.791398 2.676667 -2.704941 ESP Fit Center 8030 is at 2.583853 3.036145 -2.704941 ESP Fit Center 8031 is at 2.265876 3.302960 -2.704941 ESP Fit Center 8032 is at 1.875819 3.444929 -2.704941 ESP Fit Center 8033 is at 1.460729 3.444929 -2.704941 ESP Fit Center 8034 is at 0.752695 1.499621 -2.704941 ESP Fit Center 8035 is at 2.477664 2.267883 -2.842059 ESP Fit Center 8036 is at 2.369226 2.672578 -2.842059 ESP Fit Center 8037 is at 2.072969 2.968836 -2.842059 ESP Fit Center 8038 is at 1.668274 3.077274 -2.842059 ESP Fit Center 8039 is at 1.263579 2.968836 -2.842059 ESP Fit Center 8040 is at 0.967321 1.863188 -2.842059 ESP Fit Center 8041 is at 1.263579 1.566931 -2.842059 ESP Fit Center 8042 is at 2.369226 1.863188 -2.842059 ESP Fit Center 8043 is at 2.076774 2.267883 -2.925365 ESP Fit Center 8044 is at 1.872524 2.621655 -2.925365 ESP Fit Center 8045 is at 1.464024 2.621655 -2.925365 ESP Fit Center 8046 is at 1.259774 2.267883 -2.925365 ESP Fit Center 8047 is at 1.464024 1.914112 -2.925365 ESP Fit Center 8048 is at 1.872524 1.914112 -2.925365 ESP Fit Center 8049 is at 1.668274 2.267883 -2.953307 ESP Fit Center 8050 is at 0.973149 -4.112618 0.219176 ESP Fit Center 8051 is at 1.297178 -3.831844 0.219176 ESP Fit Center 8052 is at 1.562216 -3.494822 0.219176 ESP Fit Center 8053 is at 0.395342 -4.523394 -0.184916 ESP Fit Center 8054 is at 0.784975 -4.356857 -0.184916 ESP Fit Center 8055 is at 1.138610 -4.123424 -0.184916 ESP Fit Center 8056 is at 1.444882 -3.830599 -0.184916 ESP Fit Center 8057 is at 1.693945 -3.487792 -0.184916 ESP Fit Center 8058 is at 0.081724 -4.639074 -0.601672 ESP Fit Center 8059 is at 0.485817 -4.530797 -0.601672 ESP Fit Center 8060 is at 0.864968 -4.353996 -0.601672 ESP Fit Center 8061 is at 1.207658 -4.114042 -0.601672 ESP Fit Center 8062 is at 1.503475 -3.818225 -0.601672 ESP Fit Center 8063 is at 1.743429 -3.475535 -0.601672 ESP Fit Center 8064 is at -0.017766 -4.617683 -1.018427 ESP Fit Center 8065 is at 0.395342 -4.523394 -1.018427 ESP Fit Center 8066 is at 0.784975 -4.356857 -1.018427 ESP Fit Center 8067 is at 1.138610 -4.123424 -1.018427 ESP Fit Center 8068 is at 1.444882 -3.830599 -1.018427 ESP Fit Center 8069 is at 1.693945 -3.487792 -1.018427 ESP Fit Center 8070 is at -0.227722 -4.528243 -1.422520 ESP Fit Center 8071 is at 0.196666 -4.467225 -1.422520 ESP Fit Center 8072 is at 0.601838 -4.326994 -1.422520 ESP Fit Center 8073 is at 0.973149 -4.112618 -1.422520 ESP Fit Center 8074 is at 1.297178 -3.831844 -1.422520 ESP Fit Center 8075 is at 1.562216 -3.494822 -1.422520 ESP Fit Center 8076 is at 1.758681 -3.113731 -1.422520 ESP Fit Center 8077 is at -0.020295 -4.330028 -1.801672 ESP Fit Center 8078 is at 0.386829 -4.224616 -1.801672 ESP Fit Center 8079 is at 0.764399 -4.039409 -1.801672 ESP Fit Center 8080 is at 1.096959 -3.781989 -1.801672 ESP Fit Center 8081 is at 1.370893 -3.462894 -1.801672 ESP Fit Center 8082 is at 1.574986 -3.095188 -1.801672 ESP Fit Center 8083 is at 1.700883 -2.693926 -1.801672 ESP Fit Center 8084 is at 1.503475 -2.275535 -2.144362 ESP Fit Center 8085 is at -0.441931 -4.110931 -2.144362 ESP Fit Center 8086 is at -0.015778 -4.086111 -2.144362 ESP Fit Center 8087 is at 0.393163 -3.963682 -2.144362 ESP Fit Center 8088 is at 0.762848 -3.750244 -2.144362 ESP Fit Center 8089 is at 1.073346 -3.457304 -2.144362 ESP Fit Center 8090 is at 1.307918 -3.100655 -2.144362 ESP Fit Center 8091 is at 1.453918 -2.699524 -2.144362 ESP Fit Center 8092 is at 1.207658 -2.275535 -2.440179 ESP Fit Center 8093 is at -0.440309 -3.814629 -2.440179 ESP Fit Center 8094 is at -0.021162 -3.785959 -2.440179 ESP Fit Center 8095 is at 0.374706 -3.645267 -2.440179 ESP Fit Center 8096 is at 0.717936 -3.402989 -2.440179 ESP Fit Center 8097 is at 0.983073 -3.077092 -2.440179 ESP Fit Center 8098 is at 1.150451 -2.691748 -2.440179 ESP Fit Center 8099 is at 0.864968 -2.275535 -2.680133 ESP Fit Center 8100 is at 0.792599 -1.865111 -2.680133 ESP Fit Center 8101 is at 0.584222 -1.504190 -2.680133 ESP Fit Center 8102 is at 0.264968 -1.236305 -2.680133 ESP Fit Center 8103 is at -0.126654 -3.457304 -2.680133 ESP Fit Center 8104 is at 0.264968 -3.314766 -2.680133 ESP Fit Center 8105 is at 0.584222 -3.046880 -2.680133 ESP Fit Center 8106 is at 0.792599 -2.685959 -2.680133 ESP Fit Center 8107 is at 0.485817 -2.275535 -2.856934 ESP Fit Center 8108 is at 0.375844 -1.865111 -2.856934 ESP Fit Center 8109 is at 0.075392 -1.564660 -2.856934 ESP Fit Center 8110 is at -0.335032 -3.096383 -2.856934 ESP Fit Center 8111 is at 0.075392 -2.986411 -2.856934 ESP Fit Center 8112 is at 0.375844 -2.685959 -2.856934 ESP Fit Center 8113 is at 0.081724 -2.275535 -2.965210 ESP Fit Center 8114 is at -0.126654 -1.914614 -2.965210 ESP Fit Center 8115 is at -0.126654 -2.636456 -2.965210 ESP Fit Center 8116 is at -0.335032 -2.275535 -3.001672 ESP Fit Center 8117 is at -1.976576 -4.610398 3.322435 ESP Fit Center 8118 is at -1.584953 -4.752937 3.322435 ESP Fit Center 8119 is at -1.168198 -4.752937 3.322435 ESP Fit Center 8120 is at -0.776576 -4.610398 3.322435 ESP Fit Center 8121 is at -2.266215 -4.831499 3.082481 ESP Fit Center 8122 is at -1.893191 -5.024784 3.082481 ESP Fit Center 8123 is at -1.481852 -5.110261 3.082481 ESP Fit Center 8124 is at -1.062706 -5.081591 3.082481 ESP Fit Center 8125 is at -0.666838 -4.940899 3.082481 ESP Fit Center 8126 is at -0.323608 -4.698621 3.082481 ESP Fit Center 8127 is at -2.912626 -4.581443 2.786664 ESP Fit Center 8128 is at -2.638235 -4.908449 2.786664 ESP Fit Center 8129 is at -2.295829 -5.163361 2.786664 ESP Fit Center 8130 is at -1.903865 -5.332438 2.786664 ESP Fit Center 8131 is at -1.483475 -5.406564 2.786664 ESP Fit Center 8132 is at -1.057322 -5.381743 2.786664 ESP Fit Center 8133 is at -0.648380 -5.259314 2.786664 ESP Fit Center 8134 is at -0.278696 -5.045876 2.786664 ESP Fit Center 8135 is at 0.031802 -4.752937 2.786664 ESP Fit Center 8136 is at -3.193871 -4.579849 2.443974 ESP Fit Center 8137 is at -2.953625 -4.925020 2.443974 ESP Fit Center 8138 is at -2.648814 -5.214764 2.443974 ESP Fit Center 8139 is at -2.291918 -5.437219 2.443974 ESP Fit Center 8140 is at -1.897547 -5.583278 2.443974 ESP Fit Center 8141 is at -1.481848 -5.646961 2.443974 ESP Fit Center 8142 is at -1.061839 -5.625660 2.443974 ESP Fit Center 8143 is at -0.654715 -5.520249 2.443974 ESP Fit Center 8144 is at -0.277145 -5.335042 2.443974 ESP Fit Center 8145 is at 0.055415 -5.077621 2.443974 ESP Fit Center 8146 is at 0.329349 -4.758526 2.443974 ESP Fit Center 8147 is at -3.381133 -4.604589 2.064822 ESP Fit Center 8148 is at -3.149331 -4.965278 2.064822 ESP Fit Center 8149 is at -2.853458 -5.275581 2.064822 ESP Fit Center 8150 is at -2.504207 -5.524282 2.064822 ESP Fit Center 8151 is at -2.114200 -5.702392 2.064822 ESP Fit Center 8152 is at -1.697533 -5.803475 2.064822 ESP Fit Center 8153 is at -1.269266 -5.823875 2.064822 ESP Fit Center 8154 is at -0.844877 -5.762858 2.064822 ESP Fit Center 8155 is at -0.439706 -5.622626 2.064822 ESP Fit Center 8156 is at -0.068395 -5.408250 2.064822 ESP Fit Center 8157 is at 0.255634 -5.127477 2.064822 ESP Fit Center 8158 is at 0.520672 -4.790454 2.064822 ESP Fit Center 8159 is at -3.506050 -4.596669 1.660729 ESP Fit Center 8160 is at -3.288718 -4.960421 1.660729 ESP Fit Center 8161 is at -3.009929 -5.279521 1.660729 ESP Fit Center 8162 is at -2.678642 -5.543714 1.660729 ESP Fit Center 8163 is at -2.305505 -5.744507 1.660729 ESP Fit Center 8164 is at -1.902512 -5.875447 1.660729 ESP Fit Center 8165 is at -1.482615 -5.932326 1.660729 ESP Fit Center 8166 is at -1.059310 -5.913316 1.660729 ESP Fit Center 8167 is at -0.646202 -5.819026 1.660729 ESP Fit Center 8168 is at -0.256569 -5.652489 1.660729 ESP Fit Center 8169 is at 0.097067 -5.419056 1.660729 ESP Fit Center 8170 is at 0.403338 -5.126231 1.660729 ESP Fit Center 8171 is at 0.652401 -4.783425 1.660729 ESP Fit Center 8172 is at -3.455037 -4.771168 1.243974 ESP Fit Center 8173 is at -3.215082 -5.113858 1.243974 ESP Fit Center 8174 is at -2.919266 -5.409674 1.243974 ESP Fit Center 8175 is at -2.576576 -5.649629 1.243974 ESP Fit Center 8176 is at -2.197424 -5.826430 1.243974 ESP Fit Center 8177 is at -1.793331 -5.934706 1.243974 ESP Fit Center 8178 is at -1.376576 -5.971168 1.243974 ESP Fit Center 8179 is at -0.959820 -5.934706 1.243974 ESP Fit Center 8180 is at -0.555727 -5.826430 1.243974 ESP Fit Center 8181 is at -0.176576 -5.649629 1.243974 ESP Fit Center 8182 is at 0.166115 -5.409674 1.243974 ESP Fit Center 8183 is at 0.461931 -5.113858 1.243974 ESP Fit Center 8184 is at 0.701885 -4.771168 1.243974 ESP Fit Center 8185 is at -3.288718 -4.960421 0.827218 ESP Fit Center 8186 is at -3.009929 -5.279521 0.827218 ESP Fit Center 8187 is at -2.678642 -5.543714 0.827218 ESP Fit Center 8188 is at -2.305505 -5.744507 0.827218 ESP Fit Center 8189 is at -1.902512 -5.875447 0.827218 ESP Fit Center 8190 is at -1.482615 -5.932326 0.827218 ESP Fit Center 8191 is at -1.059310 -5.913316 0.827218 ESP Fit Center 8192 is at -0.646202 -5.819026 0.827218 ESP Fit Center 8193 is at -0.256569 -5.652489 0.827218 ESP Fit Center 8194 is at 0.097067 -5.419056 0.827218 ESP Fit Center 8195 is at 0.403338 -5.126231 0.827218 ESP Fit Center 8196 is at 0.652401 -4.783425 0.827218 ESP Fit Center 8197 is at -2.504207 -5.524282 0.423125 ESP Fit Center 8198 is at -2.114200 -5.702392 0.423125 ESP Fit Center 8199 is at -1.697533 -5.803475 0.423125 ESP Fit Center 8200 is at -1.269266 -5.823875 0.423125 ESP Fit Center 8201 is at -0.844877 -5.762858 0.423125 ESP Fit Center 8202 is at -0.439706 -5.622626 0.423125 ESP Fit Center 8203 is at -0.068395 -5.408250 0.423125 ESP Fit Center 8204 is at 0.255634 -5.127477 0.423125 ESP Fit Center 8205 is at 0.520672 -4.790454 0.423125 ESP Fit Center 8206 is at -1.897547 -5.583278 0.043974 ESP Fit Center 8207 is at -1.481848 -5.646961 0.043974 ESP Fit Center 8208 is at -1.061839 -5.625660 0.043974 ESP Fit Center 8209 is at -0.654715 -5.520249 0.043974 ESP Fit Center 8210 is at -0.277145 -5.335042 0.043974 ESP Fit Center 8211 is at 0.055415 -5.077621 0.043974 ESP Fit Center 8212 is at 0.329349 -4.758526 0.043974 ESP Fit Center 8213 is at -1.057322 -5.381743 -0.298716 ESP Fit Center 8214 is at 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-2.129482 3.941489 ESP Fit Center 8233 is at 0.625042 -1.719058 3.941489 ESP Fit Center 8234 is at 0.416664 -1.358137 3.941489 ESP Fit Center 8235 is at 0.097411 -1.090251 3.941489 ESP Fit Center 8236 is at -0.294211 -0.947713 3.941489 ESP Fit Center 8237 is at -0.710967 -0.947713 3.941489 ESP Fit Center 8238 is at -1.102589 -1.090251 3.941489 ESP Fit Center 8239 is at 0.097411 -3.168712 3.941489 ESP Fit Center 8240 is at 0.416664 -2.900827 3.941489 ESP Fit Center 8241 is at 0.625042 -2.539906 3.941489 ESP Fit Center 8242 is at 1.040101 -2.129482 3.701535 ESP Fit Center 8243 is at 0.982894 -1.713269 3.701535 ESP Fit Center 8244 is at 0.815516 -1.327925 3.701535 ESP Fit Center 8245 is at 0.550379 -1.002028 3.701535 ESP Fit Center 8246 is at 0.207149 -0.759750 3.701535 ESP Fit Center 8247 is at -0.188719 -0.619058 3.701535 ESP Fit Center 8248 is at -0.607866 -0.590388 3.701535 ESP Fit Center 8249 is at -1.019204 -0.675865 3.701535 ESP Fit Center 8250 is at 0.207149 -3.499214 3.701535 ESP Fit Center 8251 is at 0.550379 -3.256935 3.701535 ESP Fit Center 8252 is at 0.815516 -2.931039 3.701535 ESP Fit Center 8253 is at 0.982894 -2.545695 3.701535 ESP Fit Center 8254 is at 1.335918 -2.129482 3.405719 ESP Fit Center 8255 is at 1.286361 -1.705493 3.405719 ESP Fit Center 8256 is at 1.140361 -1.304362 3.405719 ESP Fit Center 8257 is at 0.905789 -0.947713 3.405719 ESP Fit Center 8258 is at 0.595291 -0.654773 3.405719 ESP Fit Center 8259 is at 0.225606 -0.441335 3.405719 ESP Fit Center 8260 is at -0.183336 -0.318906 3.405719 ESP Fit Center 8261 is at -0.609489 -0.294086 3.405719 ESP Fit Center 8262 is at -1.029879 -0.368212 3.405719 ESP Fit Center 8263 is at 0.595291 -3.604191 3.405719 ESP Fit Center 8264 is at 0.905789 -3.311251 3.405719 ESP Fit Center 8265 is at 1.140361 -2.954602 3.405719 ESP Fit Center 8266 is at 1.286361 -2.553471 3.405719 ESP Fit Center 8267 is at 1.575872 -2.129482 3.063028 ESP Fit Center 8268 is at 1.533326 -1.711091 3.063028 ESP Fit Center 8269 is at 1.407429 -1.309829 3.063028 ESP Fit Center 8270 is at 1.203336 -0.942123 3.063028 ESP Fit Center 8271 is at 0.929402 -0.623028 3.063028 ESP Fit Center 8272 is at 0.596842 -0.365608 3.063028 ESP Fit Center 8273 is at 0.219272 -0.180401 3.063028 ESP Fit Center 8274 is at -0.187852 -0.074989 3.063028 ESP Fit Center 8275 is at -0.607861 -0.053689 3.063028 ESP Fit Center 8276 is at 0.596842 -3.893356 3.063028 ESP Fit Center 8277 is at 0.929402 -3.635935 3.063028 ESP Fit Center 8278 is at 1.203336 -3.316840 3.063028 ESP Fit Center 8279 is at 1.407429 -2.949135 3.063028 ESP Fit Center 8280 is at 1.533326 -2.547873 3.063028 ESP Fit Center 8281 is at 1.752673 -2.129482 2.683877 ESP Fit Center 8282 is at 1.711918 -1.702671 2.683877 ESP Fit Center 8283 is at 1.591124 -1.291285 2.683877 ESP Fit Center 8284 is at 1.129621 -3.685791 2.683877 ESP Fit Center 8285 is at 1.394658 -3.348769 2.683877 ESP Fit Center 8286 is at 1.591124 -2.967678 2.683877 ESP Fit Center 8287 is at 1.711918 -2.556293 2.683877 ESP Fit Center 8288 is at 1.860950 -2.129482 2.279784 ESP Fit Center 8289 is at 1.277325 -3.684545 2.279784 ESP Fit Center 8290 is at 1.526388 -3.341739 2.279784 ESP Fit Center 8291 is at 1.710238 -2.959970 2.279784 ESP Fit Center 8292 is at 1.822967 -2.551508 2.279784 ESP Fit Center 8293 is at 1.335918 -3.672172 1.863028 ESP Fit Center 8294 is at 1.575872 -3.329482 1.863028 ESP Fit Center 8295 is at 1.752673 -2.950330 1.863028 ESP Fit Center 8296 is at 1.860950 -2.546237 1.863028 ESP Fit Center 8297 is at 1.526388 -3.341739 1.446273 ESP Fit Center 8298 is at 1.710238 -2.959970 1.446273 ESP Fit Center 8299 is at 1.591124 -2.967678 1.042180 ESP Fit Center 8300 is at 3.816632 -0.636577 2.952565 ESP Fit Center 8301 is at 4.225132 -0.636577 2.924623 ESP Fit Center 8302 is at 4.020882 -0.282805 2.924623 ESP Fit Center 8303 is at 3.612382 -0.282805 2.924623 ESP Fit Center 8304 is at 3.408132 -0.636577 2.924623 ESP Fit Center 8305 is at 3.612382 -0.990348 2.924623 ESP Fit Center 8306 is at 4.020882 -0.990348 2.924623 ESP Fit Center 8307 is at 4.517585 -0.231881 2.841317 ESP Fit Center 8308 is at 4.221327 0.064376 2.841317 ESP Fit Center 8309 is at 3.007242 -0.636577 2.841317 ESP Fit Center 8310 is at 3.115680 -1.041272 2.841317 ESP Fit Center 8311 is at 3.411937 -1.337529 2.841317 ESP Fit Center 8312 is at 3.816632 -1.445967 2.841317 ESP Fit Center 8313 is at 4.221327 -1.337529 2.841317 ESP Fit Center 8314 is at 2.621429 -0.636577 2.704199 ESP Fit Center 8315 is at 2.693508 -1.045360 2.704199 ESP Fit Center 8316 is at 2.901053 -1.404838 2.704199 ESP Fit Center 8317 is at 3.219030 -1.671653 2.704199 ESP Fit Center 8318 is at 3.609087 -1.813622 2.704199 ESP Fit Center 8319 is at 4.024177 -1.813622 2.704199 ESP Fit Center 8320 is at 2.386927 -1.257585 2.515823 ESP Fit Center 8321 is at 2.607491 -1.620286 2.515823 ESP Fit Center 8322 is at 2.917731 -1.910030 2.515823 ESP Fit Center 8323 is at 3.294638 -2.105327 2.515823 ESP Fit Center 8324 is at 2.442131 -1.938573 2.279699 ESP Fit Center 8325 is at 2.754157 -2.203610 2.279699 ESP Fit Center 8326 is at 3.115863 -2.395375 2.279699 ESP Fit Center 8327 is at 3.099533 -2.708498 2.000224 ESP Fit Center 8328 is at 3.099533 -2.708498 -2.095095 ESP Fit Center 8329 is at 2.442131 -1.938573 -2.374569 ESP Fit Center 8330 is at 2.754157 -2.203610 -2.374569 ESP Fit Center 8331 is at 3.115863 -2.395375 -2.374569 ESP Fit Center 8332 is at 2.386927 -1.257585 -2.610693 ESP Fit Center 8333 is at 2.607491 -1.620286 -2.610693 ESP Fit Center 8334 is at 2.917731 -1.910030 -2.610693 ESP Fit Center 8335 is at 3.294638 -2.105327 -2.610693 ESP Fit Center 8336 is at 2.621429 -0.636577 -2.799069 ESP Fit Center 8337 is at 2.693508 -1.045360 -2.799069 ESP Fit Center 8338 is at 2.901053 -1.404838 -2.799069 ESP Fit Center 8339 is at 3.219030 -1.671653 -2.799069 ESP Fit Center 8340 is at 3.609087 -1.813622 -2.799069 ESP Fit Center 8341 is at 4.024177 -1.813622 -2.799069 ESP Fit Center 8342 is at 4.517585 -0.231881 -2.936187 ESP Fit Center 8343 is at 4.221327 0.064376 -2.936187 ESP Fit Center 8344 is at 3.115680 -0.231881 -2.936187 ESP Fit Center 8345 is at 3.007242 -0.636577 -2.936187 ESP Fit Center 8346 is at 3.115680 -1.041272 -2.936187 ESP Fit Center 8347 is at 3.411937 -1.337529 -2.936187 ESP Fit Center 8348 is at 3.816632 -1.445967 -2.936187 ESP Fit Center 8349 is at 4.221327 -1.337529 -2.936187 ESP Fit Center 8350 is at 4.225132 -0.636577 -3.019493 ESP Fit Center 8351 is at 4.020882 -0.282805 -3.019493 ESP Fit Center 8352 is at 3.612382 -0.282805 -3.019493 ESP Fit Center 8353 is at 3.408132 -0.636577 -3.019493 ESP Fit Center 8354 is at 3.612382 -0.990348 -3.019493 ESP Fit Center 8355 is at 4.020882 -0.990348 -3.019493 ESP Fit Center 8356 is at 3.816632 -0.636577 -3.047435 ESP Fit Center 8357 is at -4.200537 -0.156117 4.558834 ESP Fit Center 8358 is at -3.788197 -0.156117 4.540315 ESP Fit Center 8359 is at -3.994367 0.200981 4.540315 ESP Fit Center 8360 is at -4.406708 0.200981 4.540315 ESP Fit Center 8361 is at -4.612878 -0.156117 4.540315 ESP Fit Center 8362 is at -4.406708 -0.513214 4.540315 ESP Fit Center 8363 is at -3.994367 -0.513214 4.540315 ESP Fit Center 8364 is at -3.379176 -0.156117 4.484910 ESP Fit Center 8365 is at -3.489217 0.254564 4.484910 ESP Fit Center 8366 is at -3.789857 0.555203 4.484910 ESP Fit Center 8367 is at -4.200537 0.665245 4.484910 ESP Fit Center 8368 is at -4.611218 0.555203 4.484910 ESP Fit Center 8369 is at -4.911858 0.254564 4.484910 ESP Fit Center 8370 is at -5.021899 -0.156117 4.484910 ESP Fit Center 8371 is at -4.911858 -0.566798 4.484910 ESP Fit Center 8372 is at -4.611218 -0.867437 4.484910 ESP Fit Center 8373 is at -4.200537 -0.977479 4.484910 ESP Fit Center 8374 is at -3.789857 -0.867437 4.484910 ESP Fit Center 8375 is at -3.489217 -0.566798 4.484910 ESP Fit Center 8376 is at -2.976768 -0.156117 4.393063 ESP Fit Center 8377 is at -3.050570 0.262437 4.393063 ESP Fit Center 8378 is at -3.263076 0.630507 4.393063 ESP Fit Center 8379 is at -3.588653 0.903699 4.393063 ESP Fit Center 8380 is at -3.988032 1.049061 4.393063 ESP Fit Center 8381 is at -4.413043 1.049061 4.393063 ESP Fit Center 8382 is at -4.812422 0.903699 4.393063 ESP Fit Center 8383 is at -5.137999 0.630507 4.393063 ESP Fit Center 8384 is at -5.350505 0.262437 4.393063 ESP Fit Center 8385 is at -5.424307 -0.156117 4.393063 ESP Fit Center 8386 is at -5.350505 -0.574671 4.393063 ESP Fit Center 8387 is at -5.137999 -0.942741 4.393063 ESP Fit Center 8388 is at -4.812422 -1.215932 4.393063 ESP Fit Center 8389 is at -4.413043 -1.361295 4.393063 ESP Fit Center 8390 is at -3.988032 -1.361295 4.393063 ESP Fit Center 8391 is at -3.588653 -1.215932 4.393063 ESP Fit Center 8392 is at -3.263076 -0.942741 4.393063 ESP Fit Center 8393 is at -3.050570 -0.574671 4.393063 ESP Fit Center 8394 is at -2.584213 -0.156117 4.265514 ESP Fit Center 8395 is at -2.639288 0.262219 4.265514 ESP Fit Center 8396 is at -2.800760 0.652045 4.265514 ESP Fit Center 8397 is at -3.057624 0.986797 4.265514 ESP Fit Center 8398 is at -3.392375 1.243661 4.265514 ESP Fit Center 8399 is at -3.782202 1.405132 4.265514 ESP Fit Center 8400 is at -4.200537 1.460207 4.265514 ESP Fit Center 8401 is at -4.618873 1.405132 4.265514 ESP Fit Center 8402 is at -5.008700 1.243661 4.265514 ESP Fit Center 8403 is at -5.343451 0.986797 4.265514 ESP Fit Center 8404 is at -5.600315 0.652045 4.265514 ESP Fit Center 8405 is at -5.761787 0.262219 4.265514 ESP Fit Center 8406 is at -5.816862 -0.156117 4.265514 ESP Fit Center 8407 is at -5.761787 -0.574452 4.265514 ESP Fit Center 8408 is at -5.600315 -0.964279 4.265514 ESP Fit Center 8409 is at -5.343451 -1.299031 4.265514 ESP Fit Center 8410 is at -5.008700 -1.555895 4.265514 ESP Fit Center 8411 is at -4.618873 -1.717366 4.265514 ESP Fit Center 8412 is at -4.200537 -1.772441 4.265514 ESP Fit Center 8413 is at -3.782202 -1.717366 4.265514 ESP Fit Center 8414 is at -3.392375 -1.555895 4.265514 ESP Fit Center 8415 is at -3.057624 -1.299031 4.265514 ESP Fit Center 8416 is at -2.800760 -0.964279 4.265514 ESP Fit Center 8417 is at -2.639288 -0.574452 4.265514 ESP Fit Center 8418 is at -2.204672 -0.156117 4.103291 ESP Fit Center 8419 is at -2.248287 0.258847 4.103291 ESP Fit Center 8420 is at -2.377224 0.655675 4.103291 ESP Fit Center 8421 is at -2.585849 1.017023 4.103291 ESP Fit Center 8422 is at -2.865043 1.327100 4.103291 ESP Fit Center 8423 is at -3.202605 1.572353 4.103291 ESP Fit Center 8424 is at -3.583781 1.742064 4.103291 ESP Fit Center 8425 is at -3.991913 1.828815 4.103291 ESP Fit Center 8426 is at -4.409162 1.828815 4.103291 ESP Fit Center 8427 is at -4.817294 1.742064 4.103291 ESP Fit Center 8428 is at -5.198470 1.572353 4.103291 ESP Fit Center 8429 is at -5.536032 1.327100 4.103291 ESP Fit Center 8430 is at -5.815226 1.017023 4.103291 ESP Fit Center 8431 is at -6.023851 0.655675 4.103291 ESP Fit Center 8432 is at -6.152788 0.258847 4.103291 ESP Fit Center 8433 is at -6.196403 -0.156117 4.103291 ESP Fit Center 8434 is at -6.152788 -0.571081 4.103291 ESP Fit Center 8435 is at -6.023851 -0.967908 4.103291 ESP Fit Center 8436 is at -5.815226 -1.329257 4.103291 ESP Fit Center 8437 is at -5.536032 -1.639334 4.103291 ESP Fit Center 8438 is at -5.198470 -1.884587 4.103291 ESP Fit Center 8439 is at -4.817294 -2.054297 4.103291 ESP Fit Center 8440 is at -4.409162 -2.141049 4.103291 ESP Fit Center 8441 is at -3.991913 -2.141049 4.103291 ESP Fit Center 8442 is at -3.583781 -2.054297 4.103291 ESP Fit Center 8443 is at -3.202605 -1.884587 4.103291 ESP Fit Center 8444 is at -2.865043 -1.639334 4.103291 ESP Fit Center 8445 is at -2.585849 -1.329257 4.103291 ESP Fit Center 8446 is at -2.377224 -0.967908 4.103291 ESP Fit Center 8447 is at -2.248287 -0.571081 4.103291 ESP Fit Center 8448 is at -1.841201 -0.156117 3.907698 ESP Fit Center 8449 is at -1.879116 0.265159 3.907698 ESP Fit Center 8450 is at -1.991644 0.672895 3.907698 ESP Fit Center 8451 is at -2.175168 1.053985 3.907698 ESP Fit Center 8452 is at -2.423788 1.396182 3.907698 ESP Fit Center 8453 is at -2.729515 1.688487 3.907698 ESP Fit Center 8454 is at -3.082522 1.921504 3.907698 ESP Fit Center 8455 is at -3.471462 2.087746 3.907698 ESP Fit Center 8456 is at -3.883836 2.181867 3.907698 ESP Fit Center 8457 is at -4.306389 2.200844 3.907698 ESP Fit Center 8458 is at -4.725539 2.144066 3.907698 ESP Fit Center 8459 is at -5.127816 2.013359 3.907698 ESP Fit Center 8460 is at -5.500289 1.812922 3.907698 ESP Fit Center 8461 is at -5.830987 1.549200 3.907698 ESP Fit Center 8462 is at -6.109281 1.230666 3.907698 ESP Fit Center 8463 is at -6.326226 0.867561 3.907698 ESP Fit Center 8464 is at -6.474850 0.471554 3.907698 ESP Fit Center 8465 is at -6.550376 0.055372 3.907698 ESP Fit Center 8466 is at -6.550376 -0.367606 3.907698 ESP Fit Center 8467 is at -6.474850 -0.783787 3.907698 ESP Fit Center 8468 is at -6.326226 -1.179795 3.907698 ESP Fit Center 8469 is at -6.109281 -1.542900 3.907698 ESP Fit Center 8470 is at -5.830987 -1.861433 3.907698 ESP Fit Center 8471 is at -5.500289 -2.125156 3.907698 ESP Fit Center 8472 is at -5.127816 -2.325592 3.907698 ESP Fit Center 8473 is at -4.725539 -2.456300 3.907698 ESP Fit Center 8474 is at -4.306389 -2.513078 3.907698 ESP Fit Center 8475 is at -3.883836 -2.494101 3.907698 ESP Fit Center 8476 is at -3.471462 -2.399979 3.907698 ESP Fit Center 8477 is at -1.991644 -0.985128 3.907698 ESP Fit Center 8478 is at -1.879116 -0.577393 3.907698 ESP Fit Center 8479 is at -1.496725 -0.156117 3.680312 ESP Fit Center 8480 is at -1.528413 0.256618 3.680312 ESP Fit Center 8481 is at -1.622733 0.659679 3.680312 ESP Fit Center 8482 is at -1.777474 1.043618 3.680312 ESP Fit Center 8483 is at -1.989010 1.399437 3.680312 ESP Fit Center 8484 is at -2.252382 1.718794 3.680312 ESP Fit Center 8485 is at -2.561418 1.994206 3.680312 ESP Fit Center 8486 is at -2.908873 2.219215 3.680312 ESP Fit Center 8487 is at -3.286603 2.388549 3.680312 ESP Fit Center 8488 is at -3.685756 2.498238 3.680312 ESP Fit Center 8489 is at -4.096974 2.545711 3.680312 ESP Fit Center 8490 is at -4.510620 2.529856 3.680312 ESP Fit Center 8491 is at -4.916998 2.451043 3.680312 ESP Fit Center 8492 is at -5.306582 2.311122 3.680312 ESP Fit Center 8493 is at -5.670242 2.113370 3.680312 ESP Fit Center 8494 is at -5.999453 1.862423 3.680312 ESP Fit Center 8495 is at -6.286499 1.564163 3.680312 ESP Fit Center 8496 is at -6.524652 1.225582 3.680312 ESP Fit Center 8497 is at -6.708330 0.854614 3.680312 ESP Fit Center 8498 is at -6.833227 0.459956 3.680312 ESP Fit Center 8499 is at -6.896416 0.050858 3.680312 ESP Fit Center 8500 is at -6.896416 -0.363092 3.680312 ESP Fit Center 8501 is at -6.833227 -0.772190 3.680312 ESP Fit Center 8502 is at -6.708330 -1.166848 3.680312 ESP Fit Center 8503 is at -6.524652 -1.537815 3.680312 ESP Fit Center 8504 is at -6.286499 -1.876397 3.680312 ESP Fit Center 8505 is at -5.999453 -2.174657 3.680312 ESP Fit Center 8506 is at -5.670242 -2.425603 3.680312 ESP Fit Center 8507 is at -5.306582 -2.623355 3.680312 ESP Fit Center 8508 is at -4.916998 -2.763277 3.680312 ESP Fit Center 8509 is at -4.510620 -2.842090 3.680312 ESP Fit Center 8510 is at -4.096974 -2.857945 3.680312 ESP Fit Center 8511 is at -3.685756 -2.810472 3.680312 ESP Fit Center 8512 is at -1.528413 -0.568852 3.680312 ESP Fit Center 8513 is at -1.174019 -0.156117 3.422962 ESP Fit Center 8514 is at -1.202208 0.255994 3.422962 ESP Fit Center 8515 is at -1.286251 0.660428 3.422962 ESP Fit Center 8516 is at -1.424581 1.049651 3.422962 ESP Fit Center 8517 is at -1.614622 1.416413 3.422962 ESP Fit Center 8518 is at -1.852833 1.753882 3.422962 ESP Fit Center 8519 is at -2.134778 2.055771 3.422962 ESP Fit Center 8520 is at -2.455204 2.316457 3.422962 ESP Fit Center 8521 is at -2.808142 2.531084 3.422962 ESP Fit Center 8522 is at -3.187018 2.695653 3.422962 ESP Fit Center 8523 is at -3.584774 2.807099 3.422962 ESP Fit Center 8524 is at -3.994001 2.863346 3.422962 ESP Fit Center 8525 is at -4.407074 2.863346 3.422962 ESP Fit Center 8526 is at -4.816301 2.807099 3.422962 ESP Fit Center 8527 is at -5.214057 2.695653 3.422962 ESP Fit Center 8528 is at -5.592933 2.531084 3.422962 ESP Fit Center 8529 is at -5.945871 2.316457 3.422962 ESP Fit Center 8530 is at -6.266297 2.055771 3.422962 ESP Fit Center 8531 is at -6.548242 1.753882 3.422962 ESP Fit Center 8532 is at -6.786453 1.416413 3.422962 ESP Fit Center 8533 is at -6.976494 1.049651 3.422962 ESP Fit Center 8534 is at -7.114824 0.660428 3.422962 ESP Fit Center 8535 is at -7.198866 0.255994 3.422962 ESP Fit Center 8536 is at -7.227056 -0.156117 3.422962 ESP Fit Center 8537 is at -7.198866 -0.568228 3.422962 ESP Fit Center 8538 is at -7.114824 -0.972662 3.422962 ESP Fit Center 8539 is at -6.976494 -1.361885 3.422962 ESP Fit Center 8540 is at -6.786453 -1.728647 3.422962 ESP Fit Center 8541 is at -6.548242 -2.066116 3.422962 ESP Fit Center 8542 is at -6.266297 -2.368005 3.422962 ESP Fit Center 8543 is at -5.945871 -2.628691 3.422962 ESP Fit Center 8544 is at -5.592933 -2.843318 3.422962 ESP Fit Center 8545 is at -5.214057 -3.007887 3.422962 ESP Fit Center 8546 is at -4.816301 -3.119333 3.422962 ESP Fit Center 8547 is at -4.407074 -3.175579 3.422962 ESP Fit Center 8548 is at -3.994001 -3.175579 3.422962 ESP Fit Center 8549 is at -0.901899 0.260598 3.137722 ESP Fit Center 8550 is at -0.980138 0.670741 3.137722 ESP Fit Center 8551 is at -1.109164 1.067844 3.137722 ESP Fit Center 8552 is at -1.286944 1.445645 3.137722 ESP Fit Center 8553 is at -1.510672 1.798185 3.137722 ESP Fit Center 8554 is at -1.776821 2.119904 3.137722 ESP Fit Center 8555 is at -2.081194 2.405729 3.137722 ESP Fit Center 8556 is at -2.418990 2.651152 3.137722 ESP Fit Center 8557 is at -2.784882 2.852303 3.137722 ESP Fit Center 8558 is at -3.173100 3.006009 3.137722 ESP Fit Center 8559 is at -3.577522 3.109847 3.137722 ESP Fit Center 8560 is at -3.991768 3.162179 3.137722 ESP Fit Center 8561 is at -4.409307 3.162179 3.137722 ESP Fit Center 8562 is at -4.823553 3.109847 3.137722 ESP Fit Center 8563 is at -5.227975 3.006009 3.137722 ESP Fit Center 8564 is at -5.616192 2.852303 3.137722 ESP Fit Center 8565 is at -5.982085 2.651152 3.137722 ESP Fit Center 8566 is at -6.319881 2.405729 3.137722 ESP Fit Center 8567 is at -6.624253 2.119904 3.137722 ESP Fit Center 8568 is at -6.890403 1.798185 3.137722 ESP Fit Center 8569 is at -7.114131 1.445645 3.137722 ESP Fit Center 8570 is at -7.291911 1.067844 3.137722 ESP Fit Center 8571 is at -7.420937 0.670741 3.137722 ESP Fit Center 8572 is at -7.499176 0.260598 3.137722 ESP Fit Center 8573 is at -7.525394 -0.156117 3.137722 ESP Fit Center 8574 is at -7.499176 -0.572832 3.137722 ESP Fit Center 8575 is at -7.420937 -0.982975 3.137722 ESP Fit Center 8576 is at -7.291911 -1.380078 3.137722 ESP Fit Center 8577 is at -7.114131 -1.757879 3.137722 ESP Fit Center 8578 is at -6.890403 -2.110418 3.137722 ESP Fit Center 8579 is at -6.624253 -2.432138 3.137722 ESP Fit Center 8580 is at -6.319881 -2.717963 3.137722 ESP Fit Center 8581 is at -5.982085 -2.963386 3.137722 ESP Fit Center 8582 is at -5.616192 -3.164537 3.137722 ESP Fit Center 8583 is at -5.227975 -3.318243 3.137722 ESP Fit Center 8584 is at -4.823553 -3.422081 3.137722 ESP Fit Center 8585 is at -4.409307 -3.474412 3.137722 ESP Fit Center 8586 is at -3.991768 -3.474412 3.137722 ESP Fit Center 8587 is at -2.052901 2.728659 2.826887 ESP Fit Center 8588 is at -2.402325 2.958478 2.826887 ESP Fit Center 8589 is at -2.776066 3.146178 2.826887 ESP Fit Center 8590 is at -3.169071 3.289220 2.826887 ESP Fit Center 8591 is at -3.576025 3.385670 2.826887 ESP Fit Center 8592 is at -3.991424 3.434223 2.826887 ESP Fit Center 8593 is at -4.409651 3.434223 2.826887 ESP Fit Center 8594 is at -4.825050 3.385670 2.826887 ESP Fit Center 8595 is at -5.232004 3.289220 2.826887 ESP Fit Center 8596 is at -5.625009 3.146178 2.826887 ESP Fit Center 8597 is at -5.998750 2.958478 2.826887 ESP Fit Center 8598 is at -6.348173 2.728659 2.826887 ESP Fit Center 8599 is at -6.668554 2.459828 2.826887 ESP Fit Center 8600 is at -6.955559 2.155620 2.826887 ESP Fit Center 8601 is at -7.205307 1.820151 2.826887 ESP Fit Center 8602 is at -7.414420 1.457956 2.826887 ESP Fit Center 8603 is at -7.580071 1.073933 2.826887 ESP Fit Center 8604 is at -7.700020 0.673276 2.826887 ESP Fit Center 8605 is at -7.772645 0.261403 2.826887 ESP Fit Center 8606 is at -7.796962 -0.156117 2.826887 ESP Fit Center 8607 is at -7.772645 -0.573636 2.826887 ESP Fit Center 8608 is at -7.700020 -0.985510 2.826887 ESP Fit Center 8609 is at -7.580071 -1.386167 2.826887 ESP Fit Center 8610 is at -7.414420 -1.770189 2.826887 ESP Fit Center 8611 is at -7.205307 -2.132385 2.826887 ESP Fit Center 8612 is at -6.955559 -2.467854 2.826887 ESP Fit Center 8613 is at -6.668554 -2.772061 2.826887 ESP Fit Center 8614 is at -6.348173 -3.040893 2.826887 ESP Fit Center 8615 is at -5.998750 -3.270712 2.826887 ESP Fit Center 8616 is at -5.625009 -3.458412 2.826887 ESP Fit Center 8617 is at -5.232004 -3.601454 2.826887 ESP Fit Center 8618 is at -4.825050 -3.697904 2.826887 ESP Fit Center 8619 is at -4.409651 -3.746457 2.826887 ESP Fit Center 8620 is at -3.991424 -3.746457 2.826887 ESP Fit Center 8621 is at -2.779563 3.410259 2.492960 ESP Fit Center 8622 is at -3.173486 3.542987 2.492960 ESP Fit Center 8623 is at -3.579450 3.632347 2.492960 ESP Fit Center 8624 is at -3.992696 3.677290 2.492960 ESP Fit Center 8625 is at -4.408379 3.677290 2.492960 ESP Fit Center 8626 is at -4.821625 3.632347 2.492960 ESP Fit Center 8627 is at -5.227589 3.542987 2.492960 ESP Fit Center 8628 is at -5.621512 3.410259 2.492960 ESP Fit Center 8629 is at -5.998775 3.235719 2.492960 ESP Fit Center 8630 is at -6.354955 3.021412 2.492960 ESP Fit Center 8631 is at -6.685877 2.769851 2.492960 ESP Fit Center 8632 is at -6.987661 2.483987 2.492960 ESP Fit Center 8633 is at -7.256768 2.167169 2.492960 ESP Fit Center 8634 is at -7.490044 1.823113 2.492960 ESP Fit Center 8635 is at -7.684753 1.455853 2.492960 ESP Fit Center 8636 is at -7.838613 1.069694 2.492960 ESP Fit Center 8637 is at -7.949820 0.669163 2.492960 ESP Fit Center 8638 is at -8.017070 0.258956 2.492960 ESP Fit Center 8639 is at -8.039574 -0.156117 2.492960 ESP Fit Center 8640 is at -8.017070 -0.571190 2.492960 ESP Fit Center 8641 is at -7.949820 -0.981396 2.492960 ESP Fit Center 8642 is at -7.838613 -1.381927 2.492960 ESP Fit Center 8643 is at -7.684753 -1.768087 2.492960 ESP Fit Center 8644 is at -7.490044 -2.135347 2.492960 ESP Fit Center 8645 is at -7.256768 -2.479403 2.492960 ESP Fit Center 8646 is at -6.987661 -2.796221 2.492960 ESP Fit Center 8647 is at -6.685877 -3.082085 2.492960 ESP Fit Center 8648 is at -6.354955 -3.333646 2.492960 ESP Fit Center 8649 is at -5.998775 -3.547952 2.492960 ESP Fit Center 8650 is at -5.621512 -3.722493 2.492960 ESP Fit Center 8651 is at -5.227589 -3.855221 2.492960 ESP Fit Center 8652 is at -4.821625 -3.944580 2.492960 ESP Fit Center 8653 is at -4.408379 -3.989524 2.492960 ESP Fit Center 8654 is at -3.992696 -3.989524 2.492960 ESP Fit Center 8655 is at -2.869698 3.669763 2.138630 ESP Fit Center 8656 is at -3.270132 3.786324 2.138630 ESP Fit Center 8657 is at -3.680429 3.861093 2.138630 ESP Fit Center 8658 is at -4.096239 3.893280 2.138630 ESP Fit Center 8659 is at -4.513155 3.882541 2.138630 ESP Fit Center 8660 is at -4.926757 3.828992 2.138630 ESP Fit Center 8661 is at -5.332661 3.733200 2.138630 ESP Fit Center 8662 is at -5.726564 3.596180 2.138630 ESP Fit Center 8663 is at -6.104291 3.419385 2.138630 ESP Fit Center 8664 is at -6.461837 3.204689 2.138630 ESP Fit Center 8665 is at -6.795414 2.954367 2.138630 ESP Fit Center 8666 is at -7.101483 2.671073 2.138630 ESP Fit Center 8667 is at -7.376803 2.357810 2.138630 ESP Fit Center 8668 is at -7.618452 2.017900 2.138630 ESP Fit Center 8669 is at -7.823872 1.654944 2.138630 ESP Fit Center 8670 is at -7.990883 1.272790 2.138630 ESP Fit Center 8671 is at -8.117715 0.875489 2.138630 ESP Fit Center 8672 is at -8.203024 0.467254 2.138630 ESP Fit Center 8673 is at -8.245906 0.052410 2.138630 ESP Fit Center 8674 is at -8.245906 -0.364644 2.138630 ESP Fit Center 8675 is at -8.203024 -0.779488 2.138630 ESP Fit Center 8676 is at -8.117715 -1.187723 2.138630 ESP Fit Center 8677 is at -7.990883 -1.585024 2.138630 ESP Fit Center 8678 is at -7.823872 -1.967177 2.138630 ESP Fit Center 8679 is at -7.618452 -2.330133 2.138630 ESP Fit Center 8680 is at -7.376803 -2.670044 2.138630 ESP Fit Center 8681 is at -7.101483 -2.983307 2.138630 ESP Fit Center 8682 is at -6.795414 -3.266600 2.138630 ESP Fit Center 8683 is at -6.461837 -3.516922 2.138630 ESP Fit Center 8684 is at -6.104291 -3.731619 2.138630 ESP Fit Center 8685 is at -5.726564 -3.908414 2.138630 ESP Fit Center 8686 is at -5.332661 -4.045434 2.138630 ESP Fit Center 8687 is at -4.926757 -4.141226 2.138630 ESP Fit Center 8688 is at -4.513155 -4.194775 2.138630 ESP Fit Center 8689 is at -4.096239 -4.205513 2.138630 ESP Fit Center 8690 is at -2.972683 3.891576 1.766749 ESP Fit Center 8691 is at -3.375339 3.992436 1.766749 ESP Fit Center 8692 is at -3.785942 4.053343 1.766749 ESP Fit Center 8693 is at -4.200537 4.073711 1.766749 ESP Fit Center 8694 is at -4.615133 4.053343 1.766749 ESP Fit Center 8695 is at -5.025736 3.992436 1.766749 ESP Fit Center 8696 is at -5.428392 3.891576 1.766749 ESP Fit Center 8697 is at -5.819222 3.751734 1.766749 ESP Fit Center 8698 is at -6.194464 3.574258 1.766749 ESP Fit Center 8699 is at -6.550504 3.360856 1.766749 ESP Fit Center 8700 is at -6.883912 3.113584 1.766749 ESP Fit Center 8701 is at -7.191477 2.834823 1.766749 ESP Fit Center 8702 is at -7.470239 2.527257 1.766749 ESP Fit Center 8703 is at -7.717511 2.193850 1.766749 ESP Fit Center 8704 is at -7.930913 1.837810 1.766749 ESP Fit Center 8705 is at -8.108389 1.462568 1.766749 ESP Fit Center 8706 is at -8.248230 1.071737 1.766749 ESP Fit Center 8707 is at -8.349090 0.669082 1.766749 ESP Fit Center 8708 is at -8.409997 0.258479 1.766749 ESP Fit Center 8709 is at -8.430365 -0.156117 1.766749 ESP Fit Center 8710 is at -8.409997 -0.570712 1.766749 ESP Fit Center 8711 is at -8.349090 -0.981315 1.766749 ESP Fit Center 8712 is at -8.248230 -1.383971 1.766749 ESP Fit Center 8713 is at -8.108389 -1.774802 1.766749 ESP Fit Center 8714 is at -7.930913 -2.150044 1.766749 ESP Fit Center 8715 is at -7.717511 -2.506083 1.766749 ESP Fit Center 8716 is at -7.470239 -2.839491 1.766749 ESP Fit Center 8717 is at -7.191477 -3.147057 1.766749 ESP Fit Center 8718 is at -6.883912 -3.425818 1.766749 ESP Fit Center 8719 is at -6.550504 -3.673090 1.766749 ESP Fit Center 8720 is at -6.194464 -3.886492 1.766749 ESP Fit Center 8721 is at -5.819222 -4.063968 1.766749 ESP Fit Center 8722 is at -5.428392 -4.203810 1.766749 ESP Fit Center 8723 is at -5.025736 -4.304670 1.766749 ESP Fit Center 8724 is at -4.615133 -4.365577 1.766749 ESP Fit Center 8725 is at -4.200537 -4.385945 1.766749 ESP Fit Center 8726 is at -3.785942 -4.365577 1.766749 ESP Fit Center 8727 is at -3.169125 4.095423 1.380312 ESP Fit Center 8728 is at -3.577930 4.174213 1.380312 ESP Fit Center 8729 is at -3.992373 4.213788 1.380312 ESP Fit Center 8730 is at -4.408702 4.213788 1.380312 ESP Fit Center 8731 is at -4.823145 4.174213 1.380312 ESP Fit Center 8732 is at -5.231950 4.095423 1.380312 ESP Fit Center 8733 is at -5.631414 3.978129 1.380312 ESP Fit Center 8734 is at -6.017920 3.823396 1.380312 ESP Fit Center 8735 is at -6.387967 3.632623 1.380312 ESP Fit Center 8736 is at -6.738205 3.407539 1.380312 ESP Fit Center 8737 is at -7.065461 3.150182 1.380312 ESP Fit Center 8738 is at -7.366773 2.862882 1.380312 ESP Fit Center 8739 is at -7.639410 2.548242 1.380312 ESP Fit Center 8740 is at -7.880904 2.209111 1.380312 ESP Fit Center 8741 is at -8.089068 1.848560 1.380312 ESP Fit Center 8742 is at -8.262017 1.469854 1.380312 ESP Fit Center 8743 is at -8.398185 1.076424 1.380312 ESP Fit Center 8744 is at -8.496338 0.671831 1.380312 ESP Fit Center 8745 is at -8.555588 0.259740 1.380312 ESP Fit Center 8746 is at -8.575397 -0.156117 1.380312 ESP Fit Center 8747 is at -8.555588 -0.571974 1.380312 ESP Fit Center 8748 is at -8.496338 -0.984065 1.380312 ESP Fit Center 8749 is at -8.398185 -1.388657 1.380312 ESP Fit Center 8750 is at -8.262017 -1.782088 1.380312 ESP Fit Center 8751 is at -8.089068 -2.160794 1.380312 ESP Fit Center 8752 is at -7.880904 -2.521345 1.380312 ESP Fit Center 8753 is at -7.639410 -2.860476 1.380312 ESP Fit Center 8754 is at -7.366773 -3.175116 1.380312 ESP Fit Center 8755 is at -7.065461 -3.462415 1.380312 ESP Fit Center 8756 is at -6.738205 -3.719773 1.380312 ESP Fit Center 8757 is at -6.387967 -3.944857 1.380312 ESP Fit Center 8758 is at -6.017920 -4.135629 1.380312 ESP Fit Center 8759 is at -5.631414 -4.290363 1.380312 ESP Fit Center 8760 is at -5.231950 -4.407656 1.380312 ESP Fit Center 8761 is at -4.823145 -4.486447 1.380312 ESP Fit Center 8762 is at -4.408702 -4.526022 1.380312 ESP Fit Center 8763 is at -3.992373 -4.526022 1.380312 ESP Fit Center 8764 is at -3.376482 4.252192 0.982430 ESP Fit Center 8765 is at -3.786744 4.309421 0.982430 ESP Fit Center 8766 is at -4.200537 4.328552 0.982430 ESP Fit Center 8767 is at -4.614330 4.309421 0.982430 ESP Fit Center 8768 is at -5.024593 4.252192 0.982430 ESP Fit Center 8769 is at -5.427825 4.157352 0.982430 ESP Fit Center 8770 is at -5.820587 4.025712 0.982430 ESP Fit Center 8771 is at -6.199526 3.858394 0.982430 ESP Fit Center 8772 is at -6.561411 3.656825 0.982430 ESP Fit Center 8773 is at -6.903154 3.422726 0.982430 ESP Fit Center 8774 is at -7.221839 3.158093 0.982430 ESP Fit Center 8775 is at -7.514747 2.865185 0.982430 ESP Fit Center 8776 is at -7.779380 2.546500 0.982430 ESP Fit Center 8777 is at -8.013479 2.204757 0.982430 ESP Fit Center 8778 is at -8.215048 1.842872 0.982430 ESP Fit Center 8779 is at -8.382366 1.463932 0.982430 ESP Fit Center 8780 is at -8.514007 1.071171 0.982430 ESP Fit Center 8781 is at -8.608846 0.667939 0.982430 ESP Fit Center 8782 is at -8.666075 0.257676 0.982430 ESP Fit Center 8783 is at -8.685206 -0.156117 0.982430 ESP Fit Center 8784 is at -8.666075 -0.569910 0.982430 ESP Fit Center 8785 is at -8.608846 -0.980173 0.982430 ESP Fit Center 8786 is at -8.514007 -1.383405 0.982430 ESP Fit Center 8787 is at -8.382366 -1.776166 0.982430 ESP Fit Center 8788 is at -8.215048 -2.155106 0.982430 ESP Fit Center 8789 is at -8.013479 -2.516991 0.982430 ESP Fit Center 8790 is at -7.779380 -2.858733 0.982430 ESP Fit Center 8791 is at -7.514747 -3.177418 0.982430 ESP Fit Center 8792 is at -7.221839 -3.470327 0.982430 ESP Fit Center 8793 is at -6.903154 -3.734960 0.982430 ESP Fit Center 8794 is at -6.561411 -3.969059 0.982430 ESP Fit Center 8795 is at -6.199526 -4.170627 0.982430 ESP Fit Center 8796 is at -5.820587 -4.337946 0.982430 ESP Fit Center 8797 is at -5.427825 -4.469586 0.982430 ESP Fit Center 8798 is at -5.024593 -4.564425 0.982430 ESP Fit Center 8799 is at -4.614330 -4.621654 0.982430 ESP Fit Center 8800 is at -4.200537 -4.640785 0.982430 ESP Fit Center 8801 is at -3.786744 -4.621654 0.982430 ESP Fit Center 8802 is at -3.273110 4.306910 0.576307 ESP Fit Center 8803 is at -3.682797 4.372754 0.576307 ESP Fit Center 8804 is at -4.096774 4.401071 0.576307 ESP Fit Center 8805 is at -4.511612 4.391625 0.576307 ESP Fit Center 8806 is at -4.923871 4.344496 0.576307 ESP Fit Center 8807 is at -5.330137 4.260073 0.576307 ESP Fit Center 8808 is at -5.727042 4.139056 0.576307 ESP Fit Center 8809 is at -6.111299 3.982448 0.576307 ESP Fit Center 8810 is at -6.479722 3.791546 0.576307 ESP Fit Center 8811 is at -6.829259 3.567933 0.576307 ESP Fit Center 8812 is at -7.157014 3.313462 0.576307 ESP Fit Center 8813 is at -7.460270 3.030240 0.576307 ESP Fit Center 8814 is at -7.736516 2.720615 0.576307 ESP Fit Center 8815 is at -7.983461 2.387152 0.576307 ESP Fit Center 8816 is at -8.199059 2.032616 0.576307 ESP Fit Center 8817 is at -8.381525 1.659942 0.576307 ESP Fit Center 8818 is at -8.529346 1.272221 0.576307 ESP Fit Center 8819 is at -8.641296 0.872663 0.576307 ESP Fit Center 8820 is at -8.716449 0.464581 0.576307 ESP Fit Center 8821 is at -8.754182 0.051355 0.576307 ESP Fit Center 8822 is at -8.754182 -0.363589 0.576307 ESP Fit Center 8823 is at -8.716449 -0.776815 0.576307 ESP Fit Center 8824 is at -8.641296 -1.184897 0.576307 ESP Fit Center 8825 is at -8.529346 -1.584454 0.576307 ESP Fit Center 8826 is at -8.381525 -1.972176 0.576307 ESP Fit Center 8827 is at -8.199059 -2.344849 0.576307 ESP Fit Center 8828 is at -7.983461 -2.699386 0.576307 ESP Fit Center 8829 is at -7.736516 -3.032849 0.576307 ESP Fit Center 8830 is at -7.460270 -3.342473 0.576307 ESP Fit Center 8831 is at -7.157014 -3.625695 0.576307 ESP Fit Center 8832 is at -6.829259 -3.880167 0.576307 ESP Fit Center 8833 is at -6.479722 -4.103780 0.576307 ESP Fit Center 8834 is at -6.111299 -4.294682 0.576307 ESP Fit Center 8835 is at -5.727042 -4.451290 0.576307 ESP Fit Center 8836 is at -5.330137 -4.572307 0.576307 ESP Fit Center 8837 is at 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Center 9108 is at -7.838613 1.069694 -2.575292 ESP Fit Center 9109 is at -7.949820 0.669163 -2.575292 ESP Fit Center 9110 is at -8.017070 0.258956 -2.575292 ESP Fit Center 9111 is at -8.039574 -0.156117 -2.575292 ESP Fit Center 9112 is at -8.017070 -0.571190 -2.575292 ESP Fit Center 9113 is at -7.949820 -0.981396 -2.575292 ESP Fit Center 9114 is at -7.838613 -1.381927 -2.575292 ESP Fit Center 9115 is at -7.684753 -1.768087 -2.575292 ESP Fit Center 9116 is at -7.490044 -2.135347 -2.575292 ESP Fit Center 9117 is at -7.256768 -2.479403 -2.575292 ESP Fit Center 9118 is at -6.987661 -2.796221 -2.575292 ESP Fit Center 9119 is at -6.685877 -3.082085 -2.575292 ESP Fit Center 9120 is at -6.354955 -3.333646 -2.575292 ESP Fit Center 9121 is at -5.998775 -3.547952 -2.575292 ESP Fit Center 9122 is at -5.621512 -3.722493 -2.575292 ESP Fit Center 9123 is at -5.227589 -3.855221 -2.575292 ESP Fit Center 9124 is at -4.821625 -3.944580 -2.575292 ESP Fit Center 9125 is at -4.408379 -3.989524 -2.575292 ESP Fit Center 9126 is at -1.195768 1.820151 -2.909219 ESP Fit Center 9127 is at -1.445516 2.155620 -2.909219 ESP Fit Center 9128 is at -1.732521 2.459828 -2.909219 ESP Fit Center 9129 is at -2.052901 2.728659 -2.909219 ESP Fit Center 9130 is at -2.402325 2.958478 -2.909219 ESP Fit Center 9131 is at -2.776066 3.146178 -2.909219 ESP Fit Center 9132 is at -3.169071 3.289220 -2.909219 ESP Fit Center 9133 is at -3.576025 3.385670 -2.909219 ESP Fit Center 9134 is at -3.991424 3.434223 -2.909219 ESP Fit Center 9135 is at -4.409651 3.434223 -2.909219 ESP Fit Center 9136 is at -4.825050 3.385670 -2.909219 ESP Fit Center 9137 is at -5.232004 3.289220 -2.909219 ESP Fit Center 9138 is at -5.625009 3.146178 -2.909219 ESP Fit Center 9139 is at -5.998750 2.958478 -2.909219 ESP Fit Center 9140 is at -6.348173 2.728659 -2.909219 ESP Fit Center 9141 is at -6.668554 2.459828 -2.909219 ESP Fit Center 9142 is at -6.955559 2.155620 -2.909219 ESP Fit Center 9143 is at -7.205307 1.820151 -2.909219 ESP Fit Center 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9198 is at -5.227975 -3.318243 -3.220054 ESP Fit Center 9199 is at -4.823553 -3.422081 -3.220054 ESP Fit Center 9200 is at -4.409307 -3.474412 -3.220054 ESP Fit Center 9201 is at -3.991768 -3.474412 -3.220054 ESP Fit Center 9202 is at -3.577522 -3.422081 -3.220054 ESP Fit Center 9203 is at -1.109164 -1.380078 -3.220054 ESP Fit Center 9204 is at -0.980138 -0.982975 -3.220054 ESP Fit Center 9205 is at -0.901899 -0.572832 -3.220054 ESP Fit Center 9206 is at -1.174019 -0.156117 -3.505295 ESP Fit Center 9207 is at -1.202208 0.255994 -3.505295 ESP Fit Center 9208 is at -1.286251 0.660428 -3.505295 ESP Fit Center 9209 is at -1.424581 1.049651 -3.505295 ESP Fit Center 9210 is at -1.614622 1.416413 -3.505295 ESP Fit Center 9211 is at -1.852833 1.753882 -3.505295 ESP Fit Center 9212 is at -2.134778 2.055771 -3.505295 ESP Fit Center 9213 is at -2.455204 2.316457 -3.505295 ESP Fit Center 9214 is at -2.808142 2.531084 -3.505295 ESP Fit Center 9215 is at -3.187018 2.695653 -3.505295 ESP Fit Center 9216 is at -3.584774 2.807099 -3.505295 ESP Fit Center 9217 is at -3.994001 2.863346 -3.505295 ESP Fit Center 9218 is at -4.407074 2.863346 -3.505295 ESP Fit Center 9219 is at -4.816301 2.807099 -3.505295 ESP Fit Center 9220 is at -5.214057 2.695653 -3.505295 ESP Fit Center 9221 is at -5.592933 2.531084 -3.505295 ESP Fit Center 9222 is at -5.945871 2.316457 -3.505295 ESP Fit Center 9223 is at -6.266297 2.055771 -3.505295 ESP Fit Center 9224 is at -6.548242 1.753882 -3.505295 ESP Fit Center 9225 is at -6.786453 1.416413 -3.505295 ESP Fit Center 9226 is at -6.976494 1.049651 -3.505295 ESP Fit Center 9227 is at -7.114824 0.660428 -3.505295 ESP Fit Center 9228 is at -7.198866 0.255994 -3.505295 ESP Fit Center 9229 is at -7.227056 -0.156117 -3.505295 ESP Fit Center 9230 is at -7.198866 -0.568228 -3.505295 ESP Fit Center 9231 is at -7.114824 -0.972662 -3.505295 ESP Fit Center 9232 is at -6.976494 -1.361885 -3.505295 ESP Fit Center 9233 is at -6.786453 -1.728647 -3.505295 ESP Fit Center 9234 is at -6.548242 -2.066116 -3.505295 ESP Fit Center 9235 is at -6.266297 -2.368005 -3.505295 ESP Fit Center 9236 is at -5.945871 -2.628691 -3.505295 ESP Fit Center 9237 is at -5.592933 -2.843318 -3.505295 ESP Fit Center 9238 is at -5.214057 -3.007887 -3.505295 ESP Fit Center 9239 is at -4.816301 -3.119333 -3.505295 ESP Fit Center 9240 is at -4.407074 -3.175579 -3.505295 ESP Fit Center 9241 is at -3.994001 -3.175579 -3.505295 ESP Fit Center 9242 is at -3.584774 -3.119333 -3.505295 ESP Fit Center 9243 is at -3.187018 -3.007887 -3.505295 ESP Fit Center 9244 is at -1.614622 -1.728647 -3.505295 ESP Fit Center 9245 is at -1.424581 -1.361885 -3.505295 ESP Fit Center 9246 is at -1.286251 -0.972662 -3.505295 ESP Fit Center 9247 is at -1.202208 -0.568228 -3.505295 ESP Fit Center 9248 is at -1.496725 -0.156117 -3.762644 ESP Fit Center 9249 is at -1.528413 0.256618 -3.762644 ESP Fit Center 9250 is at -1.622733 0.659679 -3.762644 ESP Fit Center 9251 is at -1.777474 1.043618 -3.762644 ESP Fit Center 9252 is at -1.989010 1.399437 -3.762644 ESP Fit Center 9253 is at -2.252382 1.718794 -3.762644 ESP Fit Center 9254 is at -2.561418 1.994206 -3.762644 ESP Fit Center 9255 is at -2.908873 2.219215 -3.762644 ESP Fit Center 9256 is at -3.286603 2.388549 -3.762644 ESP Fit Center 9257 is at -3.685756 2.498238 -3.762644 ESP Fit Center 9258 is at -4.096974 2.545711 -3.762644 ESP Fit Center 9259 is at -4.510620 2.529856 -3.762644 ESP Fit Center 9260 is at -4.916998 2.451043 -3.762644 ESP Fit Center 9261 is at -5.306582 2.311122 -3.762644 ESP Fit Center 9262 is at -5.670242 2.113370 -3.762644 ESP Fit Center 9263 is at -5.999453 1.862423 -3.762644 ESP Fit Center 9264 is at -6.286499 1.564163 -3.762644 ESP Fit Center 9265 is at -6.524652 1.225582 -3.762644 ESP Fit Center 9266 is at -6.708330 0.854614 -3.762644 ESP Fit Center 9267 is at -6.833227 0.459956 -3.762644 ESP Fit Center 9268 is at -6.896416 0.050858 -3.762644 ESP Fit Center 9269 is at -6.896416 -0.363092 -3.762644 ESP Fit Center 9270 is at -6.833227 -0.772190 -3.762644 ESP Fit Center 9271 is at -6.708330 -1.166848 -3.762644 ESP Fit Center 9272 is at -6.524652 -1.537815 -3.762644 ESP Fit Center 9273 is at -6.286499 -1.876397 -3.762644 ESP Fit Center 9274 is at -5.999453 -2.174657 -3.762644 ESP Fit Center 9275 is at -5.670242 -2.425603 -3.762644 ESP Fit Center 9276 is at -5.306582 -2.623355 -3.762644 ESP Fit Center 9277 is at -4.916998 -2.763277 -3.762644 ESP Fit Center 9278 is at -4.510620 -2.842090 -3.762644 ESP Fit Center 9279 is at -4.096974 -2.857945 -3.762644 ESP Fit Center 9280 is at -3.685756 -2.810472 -3.762644 ESP Fit Center 9281 is at -3.286603 -2.700783 -3.762644 ESP Fit Center 9282 is at -2.908873 -2.531449 -3.762644 ESP Fit Center 9283 is at -2.561418 -2.306439 -3.762644 ESP Fit Center 9284 is at -2.252382 -2.031028 -3.762644 ESP Fit Center 9285 is at -1.989010 -1.711670 -3.762644 ESP Fit Center 9286 is at -1.777474 -1.355852 -3.762644 ESP Fit Center 9287 is at -1.622733 -0.971913 -3.762644 ESP Fit Center 9288 is at -1.528413 -0.568852 -3.762644 ESP Fit Center 9289 is at -1.841201 -0.156117 -3.990031 ESP Fit Center 9290 is at -1.879116 0.265159 -3.990031 ESP Fit Center 9291 is at -1.991644 0.672895 -3.990031 ESP Fit Center 9292 is at -2.175168 1.053985 -3.990031 ESP Fit Center 9293 is at -2.423788 1.396182 -3.990031 ESP Fit Center 9294 is at -2.729515 1.688487 -3.990031 ESP Fit Center 9295 is at -3.082522 1.921504 -3.990031 ESP Fit Center 9296 is at -3.471462 2.087746 -3.990031 ESP Fit Center 9297 is at -3.883836 2.181867 -3.990031 ESP Fit Center 9298 is at -4.306389 2.200844 -3.990031 ESP Fit Center 9299 is at -4.725539 2.144066 -3.990031 ESP Fit Center 9300 is at -5.127816 2.013359 -3.990031 ESP Fit Center 9301 is at -5.500289 1.812922 -3.990031 ESP Fit Center 9302 is at -5.830987 1.549200 -3.990031 ESP Fit Center 9303 is at -6.109281 1.230666 -3.990031 ESP Fit Center 9304 is at -6.326226 0.867561 -3.990031 ESP Fit Center 9305 is at -6.474850 0.471554 -3.990031 ESP Fit Center 9306 is 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9324 is at -2.204672 -0.156117 -4.185623 ESP Fit Center 9325 is at -2.248287 0.258847 -4.185623 ESP Fit Center 9326 is at -2.377224 0.655675 -4.185623 ESP Fit Center 9327 is at -2.585849 1.017023 -4.185623 ESP Fit Center 9328 is at -2.865043 1.327100 -4.185623 ESP Fit Center 9329 is at -3.202605 1.572353 -4.185623 ESP Fit Center 9330 is at -3.583781 1.742064 -4.185623 ESP Fit Center 9331 is at -3.991913 1.828815 -4.185623 ESP Fit Center 9332 is at -4.409162 1.828815 -4.185623 ESP Fit Center 9333 is at -4.817294 1.742064 -4.185623 ESP Fit Center 9334 is at -5.198470 1.572353 -4.185623 ESP Fit Center 9335 is at -5.536032 1.327100 -4.185623 ESP Fit Center 9336 is at -5.815226 1.017023 -4.185623 ESP Fit Center 9337 is at -6.023851 0.655675 -4.185623 ESP Fit Center 9338 is at -6.152788 0.258847 -4.185623 ESP Fit Center 9339 is at -6.196403 -0.156117 -4.185623 ESP Fit Center 9340 is at -6.152788 -0.571081 -4.185623 ESP Fit Center 9341 is at -6.023851 -0.967908 -4.185623 ESP Fit Center 9342 is at -5.815226 -1.329257 -4.185623 ESP Fit Center 9343 is at -5.536032 -1.639334 -4.185623 ESP Fit Center 9344 is at -5.198470 -1.884587 -4.185623 ESP Fit Center 9345 is at -4.817294 -2.054297 -4.185623 ESP Fit Center 9346 is at -4.409162 -2.141049 -4.185623 ESP Fit Center 9347 is at -3.991913 -2.141049 -4.185623 ESP Fit Center 9348 is at -3.583781 -2.054297 -4.185623 ESP Fit Center 9349 is at -3.202605 -1.884587 -4.185623 ESP Fit Center 9350 is at -2.865043 -1.639334 -4.185623 ESP Fit Center 9351 is at -2.585849 -1.329257 -4.185623 ESP Fit Center 9352 is at -2.377224 -0.967908 -4.185623 ESP Fit Center 9353 is at -2.248287 -0.571081 -4.185623 ESP Fit Center 9354 is at -2.584213 -0.156117 -4.347847 ESP Fit Center 9355 is at -2.639288 0.262219 -4.347847 ESP Fit Center 9356 is at -2.800760 0.652045 -4.347847 ESP Fit Center 9357 is at -3.057624 0.986797 -4.347847 ESP Fit Center 9358 is at -3.392375 1.243661 -4.347847 ESP Fit Center 9359 is at -3.782202 1.405132 -4.347847 ESP Fit Center 9360 is at -4.200537 1.460207 -4.347847 ESP Fit Center 9361 is at -4.618873 1.405132 -4.347847 ESP Fit Center 9362 is at -5.008700 1.243661 -4.347847 ESP Fit Center 9363 is at -5.343451 0.986797 -4.347847 ESP Fit Center 9364 is at -5.600315 0.652045 -4.347847 ESP Fit Center 9365 is at -5.761787 0.262219 -4.347847 ESP Fit Center 9366 is at -5.816862 -0.156117 -4.347847 ESP Fit Center 9367 is at -5.761787 -0.574452 -4.347847 ESP Fit Center 9368 is at -5.600315 -0.964279 -4.347847 ESP Fit Center 9369 is at -5.343451 -1.299031 -4.347847 ESP Fit Center 9370 is at -5.008700 -1.555895 -4.347847 ESP Fit Center 9371 is at -4.618873 -1.717366 -4.347847 ESP Fit Center 9372 is at -4.200537 -1.772441 -4.347847 ESP Fit Center 9373 is at -3.782202 -1.717366 -4.347847 ESP Fit Center 9374 is at -3.392375 -1.555895 -4.347847 ESP Fit Center 9375 is at -3.057624 -1.299031 -4.347847 ESP Fit Center 9376 is at -2.800760 -0.964279 -4.347847 ESP Fit Center 9377 is at -2.639288 -0.574452 -4.347847 ESP Fit Center 9378 is at -2.976768 -0.156117 -4.475395 ESP Fit Center 9379 is at -3.050570 0.262437 -4.475395 ESP Fit Center 9380 is at -3.263076 0.630507 -4.475395 ESP Fit Center 9381 is at -3.588653 0.903699 -4.475395 ESP Fit Center 9382 is at -3.988032 1.049061 -4.475395 ESP Fit Center 9383 is at -4.413043 1.049061 -4.475395 ESP Fit Center 9384 is at -4.812422 0.903699 -4.475395 ESP Fit Center 9385 is at -5.137999 0.630507 -4.475395 ESP Fit Center 9386 is at -5.350505 0.262437 -4.475395 ESP Fit Center 9387 is at -5.424307 -0.156117 -4.475395 ESP Fit Center 9388 is at -5.350505 -0.574671 -4.475395 ESP Fit Center 9389 is at -5.137999 -0.942741 -4.475395 ESP Fit Center 9390 is at -4.812422 -1.215932 -4.475395 ESP Fit Center 9391 is at -4.413043 -1.361295 -4.475395 ESP Fit Center 9392 is at -3.988032 -1.361295 -4.475395 ESP Fit Center 9393 is at -3.588653 -1.215932 -4.475395 ESP Fit Center 9394 is at -3.263076 -0.942741 -4.475395 ESP Fit Center 9395 is at -3.050570 -0.574671 -4.475395 ESP Fit Center 9396 is at -3.379176 -0.156117 -4.567242 ESP Fit Center 9397 is at -3.489217 0.254564 -4.567242 ESP Fit Center 9398 is at -3.789857 0.555203 -4.567242 ESP Fit Center 9399 is at -4.200537 0.665245 -4.567242 ESP Fit Center 9400 is at -4.611218 0.555203 -4.567242 ESP Fit Center 9401 is at -4.911858 0.254564 -4.567242 ESP Fit Center 9402 is at -5.021899 -0.156117 -4.567242 ESP Fit Center 9403 is at -4.911858 -0.566798 -4.567242 ESP Fit Center 9404 is at -4.611218 -0.867437 -4.567242 ESP Fit Center 9405 is at -4.200537 -0.977479 -4.567242 ESP Fit Center 9406 is at -3.789857 -0.867437 -4.567242 ESP Fit Center 9407 is at -3.489217 -0.566798 -4.567242 ESP Fit Center 9408 is at -3.788197 -0.156117 -4.622648 ESP Fit Center 9409 is at -3.994367 0.200981 -4.622648 ESP Fit Center 9410 is at -4.406708 0.200981 -4.622648 ESP Fit Center 9411 is at -4.612878 -0.156117 -4.622648 ESP Fit Center 9412 is at -4.406708 -0.513214 -4.622648 ESP Fit Center 9413 is at -3.994367 -0.513214 -4.622648 ESP Fit Center 9414 is at -4.200537 -0.156117 -4.641166 ESP Fit Center 9415 is at 3.491917 3.388034 2.158419 ESP Fit Center 9416 is at 3.283539 3.748955 2.158419 ESP Fit Center 9417 is at 2.964286 4.016840 2.158419 ESP Fit Center 9418 is at 3.906976 2.977609 1.918464 ESP Fit Center 9419 is at 3.849769 3.393822 1.918464 ESP Fit Center 9420 is at 3.682390 3.779167 1.918464 ESP Fit Center 9421 is at 3.417254 4.105063 1.918464 ESP Fit Center 9422 is at 3.074023 4.347341 1.918464 ESP Fit Center 9423 is at 2.678155 4.488033 1.918464 ESP Fit Center 9424 is at 4.202792 2.977609 1.622648 ESP Fit Center 9425 is at 4.153235 3.401598 1.622648 ESP Fit Center 9426 is at 4.007235 3.802730 1.622648 ESP Fit Center 9427 is at 3.772663 4.159379 1.622648 ESP Fit Center 9428 is at 3.462166 4.452318 1.622648 ESP Fit Center 9429 is at 3.092481 4.665756 1.622648 ESP Fit Center 9430 is at 2.683539 4.788185 1.622648 ESP Fit Center 9431 is at 2.257386 4.813006 1.622648 ESP Fit Center 9432 is at 4.400200 3.396001 1.279958 ESP Fit Center 9433 is at 4.274303 3.797263 1.279958 ESP Fit Center 9434 is at 4.070210 4.164968 1.279958 ESP Fit Center 9435 is at 3.796276 4.484063 1.279958 ESP Fit Center 9436 is at 3.463717 4.741483 1.279958 ESP Fit Center 9437 is at 3.086146 4.926691 1.279958 ESP Fit Center 9438 is at 2.679022 5.032102 1.279958 ESP Fit Center 9439 is at 2.259013 5.053403 1.279958 ESP Fit Center 9440 is at 4.578792 3.404421 0.900806 ESP Fit Center 9441 is at 4.457999 3.815806 0.900806 ESP Fit Center 9442 is at 4.261533 4.196896 0.900806 ESP Fit Center 9443 is at 3.996496 4.533919 0.900806 ESP Fit Center 9444 is at 3.672466 4.814692 0.900806 ESP Fit Center 9445 is at 3.301155 5.029068 0.900806 ESP Fit Center 9446 is at 2.895984 5.169299 0.900806 ESP Fit Center 9447 is at 2.471595 5.230317 0.900806 ESP Fit Center 9448 is at 4.689841 3.399636 0.496713 ESP Fit Center 9449 is at 4.577113 3.808097 0.496713 ESP Fit Center 9450 is at 4.393262 4.189867 0.496713 ESP Fit Center 9451 is at 4.144199 4.532673 0.496713 ESP Fit Center 9452 is at 3.837928 4.825498 0.496713 ESP Fit Center 9453 is at 3.484292 5.058931 0.496713 ESP Fit Center 9454 is at 3.094659 5.225468 0.496713 ESP Fit Center 9455 is at 2.681551 5.319757 0.496713 ESP Fit Center 9456 is at 4.727824 3.394365 0.079958 ESP Fit Center 9457 is at 4.619548 3.798458 0.079958 ESP Fit Center 9458 is at 4.442747 4.177609 0.079958 ESP Fit Center 9459 is at 4.202792 4.520300 0.079958 ESP Fit Center 9460 is at 3.906976 4.816116 0.079958 ESP Fit Center 9461 is at 3.564286 5.056070 0.079958 ESP Fit Center 9462 is at 3.185134 5.232872 0.079958 ESP Fit Center 9463 is at 2.781041 5.341148 0.079958 ESP Fit Center 9464 is at 2.364286 5.377609 0.079958 ESP Fit Center 9465 is at 4.689841 3.399636 -0.336798 ESP Fit Center 9466 is at 4.577113 3.808097 -0.336798 ESP Fit Center 9467 is at 4.393262 4.189867 -0.336798 ESP Fit Center 9468 is at 4.144199 4.532673 -0.336798 ESP Fit Center 9469 is at 3.837928 4.825498 -0.336798 ESP Fit Center 9470 is at 3.484292 5.058931 -0.336798 ESP Fit Center 9471 is at 3.094659 5.225468 -0.336798 ESP Fit Center 9472 is at 2.681551 5.319757 -0.336798 ESP Fit Center 9473 is at 4.578792 3.404421 -0.740891 ESP Fit Center 9474 is at 4.457999 3.815806 -0.740891 ESP Fit Center 9475 is at 4.261533 4.196896 -0.740891 ESP Fit Center 9476 is at 3.996496 4.533919 -0.740891 ESP Fit Center 9477 is at 3.672466 4.814692 -0.740891 ESP Fit Center 9478 is at 3.301155 5.029068 -0.740891 ESP Fit Center 9479 is at 2.895984 5.169299 -0.740891 ESP Fit Center 9480 is at 2.471595 5.230317 -0.740891 ESP Fit Center 9481 is at 4.400200 3.396001 -1.120042 ESP Fit Center 9482 is at 4.274303 3.797263 -1.120042 ESP Fit Center 9483 is at 4.070210 4.164968 -1.120042 ESP Fit Center 9484 is at 3.796276 4.484063 -1.120042 ESP Fit Center 9485 is at 3.463717 4.741483 -1.120042 ESP Fit Center 9486 is at 3.086146 4.926691 -1.120042 ESP Fit Center 9487 is at 2.679022 5.032102 -1.120042 ESP Fit Center 9488 is at 2.259013 5.053403 -1.120042 ESP Fit Center 9489 is at 4.153235 3.401598 -1.462732 ESP Fit Center 9490 is at 4.007235 3.802730 -1.462732 ESP Fit Center 9491 is at 3.772663 4.159379 -1.462732 ESP Fit Center 9492 is at 3.462166 4.452318 -1.462732 ESP Fit Center 9493 is at 3.092481 4.665756 -1.462732 ESP Fit Center 9494 is at 2.683539 4.788185 -1.462732 ESP Fit Center 9495 is at 2.257386 4.813006 -1.462732 ESP Fit Center 9496 is at 3.849769 3.393822 -1.758549 ESP Fit Center 9497 is at 3.682390 3.779167 -1.758549 ESP Fit Center 9498 is at 3.417254 4.105063 -1.758549 ESP Fit Center 9499 is at 3.074023 4.347341 -1.758549 ESP Fit Center 9500 is at 2.678155 4.488033 -1.758549 ESP Fit Center 9501 is at -2.294472 -2.113052 4.148231 ESP Fit Center 9502 is at -2.086094 -1.752131 4.111769 ESP Fit Center 9503 is at -2.502850 -1.752131 4.111769 ESP Fit Center 9504 is at -2.711228 -2.113052 4.111769 ESP Fit Center 9505 is at -2.502850 -2.473973 4.111769 ESP Fit Center 9506 is at -2.294472 -1.292204 4.003493 ESP Fit Center 9507 is at -3.115320 -2.113052 4.003493 ESP Fit Center 9508 is at -3.005348 -2.523477 4.003493 ESP Fit Center 9509 is at -2.704896 -2.823928 4.003493 ESP Fit Center 9510 is at -3.422103 -2.523477 3.826692 ESP Fit Center 9511 is at -3.213725 -2.884398 3.826692 ESP Fit Center 9512 is at -2.894472 -3.152283 3.826692 ESP Fit Center 9513 is at -3.491154 -3.086626 3.586738 ESP Fit Center 9514 is at -3.184111 -3.373384 3.586738 ESP Fit Center 9515 is at -3.556132 -3.450334 3.290921 ESP Fit Center 9516 is at -3.566711 -3.756649 2.948231 ESP Fit Center 9517 is at -3.667356 -4.699074 0.633854 ESP Fit Center 9518 is at -3.324950 -4.953986 0.633854 ESP Fit Center 9519 is at -3.677935 -5.005389 0.291164 ESP Fit Center 9520 is at -3.321038 -5.227845 0.291164 ESP Fit Center 9521 is at -2.926668 -5.373903 0.291164 ESP Fit Center 9522 is at -4.178452 -4.755904 -0.087988 ESP Fit Center 9523 is at -3.882579 -5.066206 -0.087988 ESP Fit Center 9524 is at -3.533327 -5.314907 -0.087988 ESP Fit Center 9525 is at -3.143320 -5.493018 -0.087988 ESP Fit Center 9526 is at -2.726654 -5.594100 -0.087988 ESP Fit Center 9527 is at -2.298387 -5.614501 -0.087988 ESP Fit Center 9528 is at -1.873998 -5.553483 -0.087988 ESP Fit Center 9529 is at -4.317839 -4.751046 -0.492081 ESP Fit Center 9530 is at -4.039049 -5.070146 -0.492081 ESP Fit Center 9531 is at -3.707763 -5.334339 -0.492081 ESP Fit Center 9532 is at -3.334626 -5.535132 -0.492081 ESP Fit Center 9533 is at -2.931633 -5.666073 -0.492081 ESP Fit Center 9534 is at -2.511736 -5.722952 -0.492081 ESP Fit Center 9535 is at -2.088431 -5.703941 -0.492081 ESP Fit Center 9536 is at -1.675323 -5.609652 -0.492081 ESP Fit Center 9537 is at -1.285689 -5.443114 -0.492081 ESP Fit Center 9538 is at -0.932054 -5.209682 -0.492081 ESP Fit Center 9539 is at -4.244203 -4.904483 -0.908836 ESP Fit Center 9540 is at -3.948386 -5.200300 -0.908836 ESP Fit Center 9541 is at -3.605696 -5.440254 -0.908836 ESP Fit Center 9542 is at -3.226545 -5.617055 -0.908836 ESP Fit Center 9543 is at -2.822452 -5.725332 -0.908836 ESP Fit Center 9544 is at -2.405696 -5.761793 -0.908836 ESP Fit Center 9545 is at -1.988941 -5.725332 -0.908836 ESP Fit Center 9546 is at -1.584848 -5.617055 -0.908836 ESP Fit Center 9547 is at -1.205696 -5.440254 -0.908836 ESP Fit Center 9548 is at -0.863006 -5.200300 -0.908836 ESP Fit Center 9549 is at -0.567190 -4.904483 -0.908836 ESP Fit Center 9550 is at -4.317839 -4.751046 -1.325592 ESP Fit Center 9551 is at -4.039049 -5.070146 -1.325592 ESP Fit Center 9552 is at -3.707763 -5.334339 -1.325592 ESP Fit Center 9553 is at -3.334626 -5.535132 -1.325592 ESP Fit Center 9554 is at -2.931633 -5.666073 -1.325592 ESP Fit Center 9555 is at -2.511736 -5.722952 -1.325592 ESP Fit Center 9556 is at -2.088431 -5.703941 -1.325592 ESP Fit Center 9557 is at -1.675323 -5.609652 -1.325592 ESP Fit Center 9558 is at -1.285689 -5.443114 -1.325592 ESP Fit Center 9559 is at -0.932054 -5.209682 -1.325592 ESP Fit Center 9560 is at -0.625783 -4.916856 -1.325592 ESP Fit Center 9561 is at -0.376719 -4.574050 -1.325592 ESP Fit Center 9562 is at -4.178452 -4.755904 -1.729685 ESP Fit Center 9563 is at -3.882579 -5.066206 -1.729685 ESP Fit Center 9564 is at -3.533327 -5.314907 -1.729685 ESP Fit Center 9565 is at -3.143320 -5.493018 -1.729685 ESP Fit Center 9566 is at -2.726654 -5.594100 -1.729685 ESP Fit Center 9567 is at -2.298387 -5.614501 -1.729685 ESP Fit Center 9568 is at -1.873998 -5.553483 -1.729685 ESP Fit Center 9569 is at -1.468826 -5.413252 -1.729685 ESP Fit Center 9570 is at -1.097516 -5.198875 -1.729685 ESP Fit Center 9571 is at -0.773486 -4.918102 -1.729685 ESP Fit Center 9572 is at -0.508449 -4.581080 -1.729685 ESP Fit Center 9573 is at -4.222992 -4.370474 -2.108836 ESP Fit Center 9574 is at -3.982745 -4.715645 -2.108836 ESP Fit Center 9575 is at -3.677935 -5.005389 -2.108836 ESP Fit Center 9576 is at -3.321038 -5.227845 -2.108836 ESP Fit Center 9577 is at -2.926668 -5.373903 -2.108836 ESP Fit Center 9578 is at -2.510969 -5.437586 -2.108836 ESP Fit Center 9579 is at -2.090959 -5.416286 -2.108836 ESP Fit Center 9580 is at -1.683836 -5.310874 -2.108836 ESP Fit Center 9581 is at -1.306265 -5.125667 -2.108836 ESP Fit Center 9582 is at -0.973705 -4.868246 -2.108836 ESP Fit Center 9583 is at -0.699771 -4.549152 -2.108836 ESP Fit Center 9584 is at -0.495678 -4.181446 -2.108836 ESP Fit Center 9585 is at -3.941746 -4.372069 -2.451526 ESP Fit Center 9586 is at -3.667356 -4.699074 -2.451526 ESP Fit Center 9587 is at -3.324950 -4.953986 -2.451526 ESP Fit Center 9588 is at -2.932986 -5.123063 -2.451526 ESP Fit Center 9589 is at -2.512596 -5.197189 -2.451526 ESP Fit Center 9590 is at -2.086443 -5.172369 -2.451526 ESP Fit Center 9591 is at -1.677501 -5.049939 -2.451526 ESP Fit Center 9592 is at -1.307816 -4.836502 -2.451526 ESP Fit Center 9593 is at -0.997318 -4.543562 -2.451526 ESP Fit Center 9594 is at -0.762747 -4.186913 -2.451526 ESP Fit Center 9595 is at -3.820669 -3.976402 -2.747343 ESP Fit Center 9596 is at -3.602378 -4.335366 -2.747343 ESP Fit Center 9597 is at -3.295335 -4.622124 -2.747343 ESP Fit Center 9598 is at -2.922312 -4.815410 -2.747343 ESP Fit Center 9599 is at -2.510973 -4.900887 -2.747343 ESP Fit Center 9600 is at -2.091827 -4.872216 -2.747343 ESP Fit Center 9601 is at -1.695958 -4.731525 -2.747343 ESP Fit Center 9602 is at -1.352728 -4.489246 -2.747343 ESP Fit Center 9603 is at -1.087592 -4.163350 -2.747343 ESP Fit Center 9604 is at -3.324950 -4.133138 -2.987297 ESP Fit Center 9605 is at -3.005696 -4.401023 -2.987297 ESP Fit Center 9606 is at -2.614074 -4.543562 -2.987297 ESP Fit Center 9607 is at -2.197318 -4.543562 -2.987297 ESP Fit Center 9608 is at -1.805696 -4.401023 -2.987297 ESP Fit Center 9609 is at -1.486443 -4.133138 -2.987297 ESP Fit Center 9610 is at -2.816120 -4.072668 -3.164098 ESP Fit Center 9611 is at -2.405696 -4.182641 -3.164098 ESP Fit Center 9612 is at -1.995272 -4.072668 -3.164098 ESP Fit Center 9613 is at 5.181956 -0.906444 2.942976 ESP Fit Center 9614 is at 5.590456 -0.906444 2.915034 ESP Fit Center 9615 is at 5.386206 -0.552673 2.915034 ESP Fit Center 9616 is at 4.977706 -0.552673 2.915034 ESP Fit Center 9617 is at 4.773456 -0.906444 2.915034 ESP Fit Center 9618 is at 4.977706 -1.260216 2.915034 ESP Fit Center 9619 is at 5.386206 -1.260216 2.915034 ESP Fit Center 9620 is at 5.991346 -0.906444 2.831728 ESP Fit Center 9621 is at 4.777261 -0.205492 2.831728 ESP Fit Center 9622 is at 4.481003 -1.311140 2.831728 ESP Fit Center 9623 is at 5.882909 -1.311140 2.831728 ESP Fit Center 9624 is at 5.991346 -0.906444 -2.945776 ESP Fit Center 9625 is at 4.777261 -0.205492 -2.945776 ESP Fit Center 9626 is at 4.481003 -1.311140 -2.945776 ESP Fit Center 9627 is at 5.882909 -1.311140 -2.945776 ESP Fit Center 9628 is at 5.590456 -0.906444 -3.029082 ESP Fit Center 9629 is at 5.386206 -0.552673 -3.029082 ESP Fit Center 9630 is at 4.977706 -0.552673 -3.029082 ESP Fit Center 9631 is at 4.773456 -0.906444 -3.029082 ESP Fit Center 9632 is at 4.977706 -1.260216 -3.029082 ESP Fit Center 9633 is at 5.386206 -1.260216 -3.029082 ESP Fit Center 9634 is at 5.181956 -0.906444 -3.057024 ESP Fit Center 9635 is at 2.197071 -2.204277 2.024610 ESP Fit Center 9636 is at 2.516325 -2.472163 2.024610 ESP Fit Center 9637 is at 2.907947 -2.614702 2.024610 ESP Fit Center 9638 is at 1.919642 -2.406505 1.784655 ESP Fit Center 9639 is at 2.226686 -2.693264 1.784655 ESP Fit Center 9640 is at 2.599709 -2.886549 1.784655 ESP Fit Center 9641 is at 3.011048 -2.972026 1.784655 ESP Fit Center 9642 is at 1.854665 -2.770214 1.488839 ESP Fit Center 9643 is at 2.197071 -3.025126 1.488839 ESP Fit Center 9644 is at 2.589035 -3.194202 1.488839 ESP Fit Center 9645 is at 1.844086 -3.076529 1.146149 ESP Fit Center 9646 is at 2.200983 -3.298984 1.146149 ESP Fit Center 9647 is at 2.595353 -3.445043 1.146149 ESP Fit Center 9648 is at 1.639442 -3.137346 0.766997 ESP Fit Center 9649 is at 1.988694 -3.386047 0.766997 ESP Fit Center 9650 is at 2.378701 -3.564157 0.766997 ESP Fit Center 9651 is at 2.795367 -3.665239 0.766997 ESP Fit Center 9652 is at 1.814258 -3.405478 0.362904 ESP Fit Center 9653 is at 2.187395 -3.606272 0.362904 ESP Fit Center 9654 is at 2.590388 -3.737212 0.362904 ESP Fit Center 9655 is at 3.010285 -3.794091 0.362904 ESP Fit Center 9656 is at 1.916325 -3.511393 -0.053851 ESP Fit Center 9657 is at 2.295476 -3.688195 -0.053851 ESP Fit Center 9658 is at 2.699569 -3.796471 -0.053851 ESP Fit Center 9659 is at 1.814258 -3.405478 -0.470607 ESP Fit Center 9660 is at 2.187395 -3.606272 -0.470607 ESP Fit Center 9661 is at 2.590388 -3.737212 -0.470607 ESP Fit Center 9662 is at 3.010285 -3.794091 -0.470607 ESP Fit Center 9663 is at 1.988694 -3.386047 -0.874700 ESP Fit Center 9664 is at 2.378701 -3.564157 -0.874700 ESP Fit Center 9665 is at 2.795367 -3.665239 -0.874700 ESP Fit Center 9666 is at 1.844086 -3.076529 -1.253851 ESP Fit Center 9667 is at 2.200983 -3.298984 -1.253851 ESP Fit Center 9668 is at 2.595353 -3.445043 -1.253851 ESP Fit Center 9669 is at 1.854665 -2.770214 -1.596542 ESP Fit Center 9670 is at 2.197071 -3.025126 -1.596542 ESP Fit Center 9671 is at 2.589035 -3.194202 -1.596542 ESP Fit Center 9672 is at 1.919642 -2.406505 -1.892358 ESP Fit Center 9673 is at 2.226686 -2.693264 -1.892358 ESP Fit Center 9674 is at 2.599709 -2.886549 -1.892358 ESP Fit Center 9675 is at 3.011048 -2.972026 -1.892358 ESP Fit Center 9676 is at 2.197071 -2.204277 -2.132312 ESP Fit Center 9677 is at 2.516325 -2.472163 -2.132312 ESP Fit Center 9678 is at 2.907947 -2.614702 -2.132312 ESP Fit Center 9679 is at 6.119315 -0.633229 2.829578 ESP Fit Center 9680 is at 6.524010 -0.524791 2.829578 ESP Fit Center 9681 is at 6.820268 -0.228534 2.829578 ESP Fit Center 9682 is at 6.716917 -0.858915 2.692460 ESP Fit Center 9683 is at 7.034894 -0.592101 2.692460 ESP Fit Center 9684 is at 7.242439 -0.232622 2.692460 ESP Fit Center 9685 is at 7.678067 0.176161 2.504084 ESP Fit Center 9686 is at 6.836442 -1.207832 2.504084 ESP Fit Center 9687 is at 7.183246 -0.963031 2.504084 ESP Fit Center 9688 is at 7.451143 -0.633741 2.504084 ESP Fit Center 9689 is at 7.620264 -0.244385 2.504084 ESP Fit Center 9690 is at 8.012579 0.176161 2.267960 ESP Fit Center 9691 is at 7.968316 0.583157 2.267960 ESP Fit Center 9692 is at 7.344988 -1.266813 2.267960 ESP Fit Center 9693 is at 7.626529 -0.969593 2.267960 ESP Fit Center 9694 is at 7.837595 -0.618800 2.267960 ESP Fit Center 9695 is at 7.968316 -0.230835 2.267960 ESP Fit Center 9696 is at 8.272202 0.591096 1.988486 ESP Fit Center 9697 is at 8.154769 0.991034 1.988486 ESP Fit Center 9698 is at 7.706108 -1.336842 1.988486 ESP Fit Center 9699 is at 8.430223 0.992657 1.670867 ESP Fit Center 9700 is at 8.258994 1.371457 1.670867 ESP Fit Center 9701 is at 8.026211 1.715872 1.670867 ESP Fit Center 9702 is at 8.492650 1.385436 1.321021 ESP Fit Center 9703 is at 8.274258 1.741819 1.321021 ESP Fit Center 9704 is at 8.002804 2.059650 1.321021 ESP Fit Center 9705 is at 8.678821 1.376008 0.945465 ESP Fit Center 9706 is at 8.476846 1.735889 0.945465 ESP Fit Center 9707 is at 8.224624 2.062527 0.945465 ESP Fit Center 9708 is at 7.927532 2.348960 0.945465 ESP Fit Center 9709 is at 7.591900 2.589083 0.945465 ESP Fit Center 9710 is at 8.610246 1.732668 0.551194 ESP Fit Center 9711 is at 8.369381 2.064191 0.551194 ESP Fit Center 9712 is at 8.084721 2.358965 0.551194 ESP Fit Center 9713 is at 7.761806 2.611254 0.551194 ESP Fit Center 9714 is at 7.406922 2.816146 0.551194 ESP Fit Center 9715 is at 7.026976 2.969654 0.551194 ESP Fit Center 9716 is at 8.657529 1.762213 0.145553 ESP Fit Center 9717 is at 8.412091 2.100029 0.145553 ESP Fit Center 9718 is at 8.122027 2.400398 0.145553 ESP Fit Center 9719 is at 7.792983 2.657476 0.145553 ESP Fit Center 9720 is at 7.431363 2.866257 0.145553 ESP Fit Center 9721 is at 7.044205 3.022679 0.145553 ESP Fit Center 9722 is at 6.639045 3.123697 0.145553 ESP Fit Center 9723 is at 6.223770 3.167344 0.145553 ESP Fit Center 9724 is at 5.806461 3.152772 0.145553 ESP Fit Center 9725 is at 5.395241 3.080262 0.145553 ESP Fit Center 9726 is at 8.657529 1.762213 -0.263901 ESP Fit Center 9727 is at 8.412091 2.100029 -0.263901 ESP Fit Center 9728 is at 8.122027 2.400398 -0.263901 ESP Fit Center 9729 is at 7.792983 2.657476 -0.263901 ESP Fit Center 9730 is at 7.431363 2.866257 -0.263901 ESP Fit Center 9731 is at 7.044205 3.022679 -0.263901 ESP Fit Center 9732 is at 6.639045 3.123697 -0.263901 ESP Fit Center 9733 is at 6.223770 3.167344 -0.263901 ESP Fit Center 9734 is at 5.806461 3.152772 -0.263901 ESP Fit Center 9735 is at 5.395241 3.080262 -0.263901 ESP Fit Center 9736 is at 8.610246 1.732668 -0.669542 ESP Fit Center 9737 is at 8.369381 2.064191 -0.669542 ESP Fit Center 9738 is at 8.084721 2.358965 -0.669542 ESP Fit Center 9739 is at 7.761806 2.611254 -0.669542 ESP Fit Center 9740 is at 7.406922 2.816146 -0.669542 ESP Fit Center 9741 is at 7.026976 2.969654 -0.669542 ESP Fit Center 9742 is at 8.678821 1.376008 -1.063813 ESP Fit Center 9743 is at 8.476846 1.735889 -1.063813 ESP Fit Center 9744 is at 8.224624 2.062527 -1.063813 ESP Fit Center 9745 is at 7.927532 2.348960 -1.063813 ESP Fit Center 9746 is at 7.591900 2.589083 -1.063813 ESP Fit Center 9747 is at 8.492650 1.385436 -1.439369 ESP Fit Center 9748 is at 8.274258 1.741819 -1.439369 ESP Fit Center 9749 is at 8.002804 2.059650 -1.439369 ESP Fit Center 9750 is at 8.430223 0.992657 -1.789215 ESP Fit Center 9751 is at 8.258994 1.371457 -1.789215 ESP Fit Center 9752 is at 8.026211 1.715872 -1.789215 ESP Fit Center 9753 is at 8.272202 0.591096 -2.106833 ESP Fit Center 9754 is at 8.154769 0.991034 -2.106833 ESP Fit Center 9755 is at 7.963770 1.361520 -2.106833 ESP Fit Center 9756 is at 8.012579 0.176161 -2.386308 ESP Fit Center 9757 is at 7.968316 0.583157 -2.386308 ESP Fit Center 9758 is at 7.344988 -1.266813 -2.386308 ESP Fit Center 9759 is at 7.626529 -0.969593 -2.386308 ESP Fit Center 9760 is at 7.837595 -0.618800 -2.386308 ESP Fit Center 9761 is at 7.968316 -0.230835 -2.386308 ESP Fit Center 9762 is at 7.678067 0.176161 -2.622432 ESP Fit Center 9763 is at 6.836442 -1.207832 -2.622432 ESP Fit Center 9764 is at 7.183246 -0.963031 -2.622432 ESP Fit Center 9765 is at 7.451143 -0.633741 -2.622432 ESP Fit Center 9766 is at 7.620264 -0.244385 -2.622432 ESP Fit Center 9767 is at 7.314519 0.176161 -2.810808 ESP Fit Center 9768 is at 6.716917 -0.858915 -2.810808 ESP Fit Center 9769 is at 7.034894 -0.592101 -2.810808 ESP Fit Center 9770 is at 7.242439 -0.232622 -2.810808 ESP Fit Center 9771 is at 6.119315 -0.633229 -2.947926 ESP Fit Center 9772 is at 6.524010 -0.524791 -2.947926 ESP Fit Center 9773 is at 6.820268 -0.228534 -2.947926 ESP Fit Center 9774 is at 6.455780 -2.259011 2.825279 ESP Fit Center 9775 is at 6.347343 -1.854316 2.825279 ESP Fit Center 9776 is at 6.051085 -1.558059 2.825279 ESP Fit Center 9777 is at 6.841593 -2.259011 2.688161 ESP Fit Center 9778 is at 6.769514 -1.850228 2.688161 ESP Fit Center 9779 is at 6.561969 -1.490749 2.688161 ESP Fit Center 9780 is at 6.769514 -2.667795 2.688161 ESP Fit Center 9781 is at 7.205142 -2.259011 2.499785 ESP Fit Center 9782 is at 7.147339 -1.838465 2.499785 ESP Fit Center 9783 is at 6.978218 -1.449109 2.499785 ESP Fit Center 9784 is at 6.978218 -3.068914 2.499785 ESP Fit Center 9785 is at 7.147339 -2.679557 2.499785 ESP Fit Center 9786 is at 7.539654 -2.259011 2.263661 ESP Fit Center 9787 is at 7.495390 -1.852015 2.263661 ESP Fit Center 9788 is at 7.364670 -1.464050 2.263661 ESP Fit Center 9789 is at 7.153604 -3.404766 2.263661 ESP Fit Center 9790 is at 7.364670 -3.053972 2.263661 ESP Fit Center 9791 is at 7.495390 -2.666007 2.263661 ESP Fit Center 9792 is at 6.918169 -4.044975 1.984187 ESP Fit Center 9793 is at 7.233183 -3.772015 1.984187 ESP Fit Center 9794 is at 7.490845 -3.444370 1.984187 ESP Fit Center 9795 is at 6.931420 -4.346032 1.666568 ESP Fit Center 9796 is at 7.265644 -4.098841 1.666568 ESP Fit Center 9797 is at 7.553285 -3.798722 1.666568 ESP Fit Center 9798 is at 6.469505 -4.792298 1.316722 ESP Fit Center 9799 is at 6.855664 -4.632346 1.316722 ESP Fit Center 9800 is at 7.212047 -4.413954 1.316722 ESP Fit Center 9801 is at 7.529879 -4.142500 1.316722 ESP Fit Center 9802 is at 6.361378 -4.993877 0.941166 ESP Fit Center 9803 is at 6.751958 -4.860630 0.941166 ESP Fit Center 9804 is at 7.118975 -4.671933 0.941166 ESP Fit Center 9805 is at 7.454607 -4.431810 0.941166 ESP Fit Center 9806 is at 5.339364 -5.180173 0.546895 ESP Fit Center 9807 is at 5.748899 -5.194474 0.546895 ESP Fit Center 9808 is at 6.156438 -5.151640 0.546895 ESP Fit Center 9809 is at 6.554051 -5.052504 0.546895 ESP Fit Center 9810 is at 6.933997 -4.898996 0.546895 ESP Fit Center 9811 is at 7.288881 -4.694104 0.546895 ESP Fit Center 9812 is at 3.224997 -4.018256 0.141254 ESP Fit Center 9813 is at 3.493401 -4.338128 0.141254 ESP Fit Center 9814 is at 3.803711 -4.617532 0.141254 ESP Fit Center 9815 is at 4.149887 -4.851031 0.141254 ESP Fit Center 9816 is at 4.525190 -5.034078 0.141254 ESP Fit Center 9817 is at 4.922316 -5.163112 0.141254 ESP Fit Center 9818 is at 5.333536 -5.235621 0.141254 ESP Fit Center 9819 is at 5.750844 -5.250194 0.141254 ESP Fit Center 9820 is at 6.166120 -5.206547 0.141254 ESP Fit Center 9821 is at 6.571280 -5.105529 0.141254 ESP Fit Center 9822 is at 6.958438 -4.949107 0.141254 ESP Fit Center 9823 is at 7.320058 -4.740326 0.141254 ESP Fit Center 9824 is at 3.224997 -4.018256 -0.268200 ESP Fit Center 9825 is at 3.493401 -4.338128 -0.268200 ESP Fit Center 9826 is at 3.803711 -4.617532 -0.268200 ESP Fit Center 9827 is at 4.149887 -4.851031 -0.268200 ESP Fit Center 9828 is at 4.525190 -5.034078 -0.268200 ESP Fit Center 9829 is at 4.922316 -5.163112 -0.268200 ESP Fit Center 9830 is at 5.333536 -5.235621 -0.268200 ESP Fit Center 9831 is at 5.750844 -5.250194 -0.268200 ESP Fit Center 9832 is at 6.166120 -5.206547 -0.268200 ESP Fit Center 9833 is at 6.571280 -5.105529 -0.268200 ESP Fit Center 9834 is at 6.958438 -4.949107 -0.268200 ESP Fit Center 9835 is at 7.320058 -4.740326 -0.268200 ESP Fit Center 9836 is at 5.339364 -5.180173 -0.673841 ESP Fit Center 9837 is at 5.748899 -5.194474 -0.673841 ESP Fit Center 9838 is at 6.156438 -5.151640 -0.673841 ESP Fit Center 9839 is at 6.554051 -5.052504 -0.673841 ESP Fit Center 9840 is at 6.933997 -4.898996 -0.673841 ESP Fit Center 9841 is at 7.288881 -4.694104 -0.673841 ESP Fit Center 9842 is at 7.611795 -4.441815 -0.673841 ESP Fit Center 9843 is at 5.955559 -5.068836 -1.068112 ESP Fit Center 9844 is at 6.361378 -4.993877 -1.068112 ESP Fit Center 9845 is at 6.751958 -4.860630 -1.068112 ESP Fit Center 9846 is at 7.118975 -4.671933 -1.068112 ESP Fit Center 9847 is at 7.454607 -4.431810 -1.068112 ESP Fit Center 9848 is at 6.469505 -4.792298 -1.443668 ESP Fit Center 9849 is at 6.855664 -4.632346 -1.443668 ESP Fit Center 9850 is at 7.212047 -4.413954 -1.443668 ESP Fit Center 9851 is at 7.529879 -4.142500 -1.443668 ESP Fit Center 9852 is at 6.931420 -4.346032 -1.793514 ESP Fit Center 9853 is at 7.265644 -4.098841 -1.793514 ESP Fit Center 9854 is at 7.553285 -3.798722 -1.793514 ESP Fit Center 9855 is at 7.681844 -1.444138 -2.111132 ESP Fit Center 9856 is at 7.233183 -3.772015 -2.111132 ESP Fit Center 9857 is at 7.490845 -3.444370 -2.111132 ESP Fit Center 9858 is at 7.539654 -2.259011 -2.390607 ESP Fit Center 9859 is at 7.495390 -1.852015 -2.390607 ESP Fit Center 9860 is at 7.364670 -1.464050 -2.390607 ESP Fit Center 9861 is at 7.153604 -3.404766 -2.390607 ESP Fit Center 9862 is at 7.364670 -3.053972 -2.390607 ESP Fit Center 9863 is at 7.495390 -2.666007 -2.390607 ESP Fit Center 9864 is at 7.205142 -2.259011 -2.626731 ESP Fit Center 9865 is at 7.147339 -1.838465 -2.626731 ESP Fit Center 9866 is at 6.978218 -1.449109 -2.626731 ESP Fit Center 9867 is at 6.978218 -3.068914 -2.626731 ESP Fit Center 9868 is at 7.147339 -2.679557 -2.626731 ESP Fit Center 9869 is at 6.841593 -2.259011 -2.815107 ESP Fit Center 9870 is at 6.769514 -1.850228 -2.815107 ESP Fit Center 9871 is at 6.561969 -1.490749 -2.815107 ESP Fit Center 9872 is at 6.347343 -1.854316 -2.952225 ESP Fit Center 9873 is at 6.051085 -1.558059 -2.952225 ESP Fit Center 9874 is at 8.349919 -0.207131 2.004121 ESP Fit Center 9875 is at 8.069172 -0.978476 2.004121 ESP Fit Center 9876 is at 8.277550 -0.617555 2.004121 ESP Fit Center 9877 is at 8.692609 -0.207131 1.764166 ESP Fit Center 9878 is at 8.635402 0.209082 1.764166 ESP Fit Center 9879 is at 8.468023 0.594426 1.764166 ESP Fit Center 9880 is at 8.202887 -1.334584 1.764166 ESP Fit Center 9881 is at 8.468023 -1.008688 1.764166 ESP Fit Center 9882 is at 8.635402 -0.623344 1.764166 ESP Fit Center 9883 is at 8.988425 -0.207131 1.468350 ESP Fit Center 9884 is at 8.938868 0.216858 1.468350 ESP Fit Center 9885 is at 8.792868 0.617989 1.468350 ESP Fit Center 9886 is at 8.558296 -1.388900 1.468350 ESP Fit Center 9887 is at 8.792868 -1.032251 1.468350 ESP Fit Center 9888 is at 8.938868 -0.631120 1.468350 ESP Fit Center 9889 is at 9.228380 -0.207131 1.125660 ESP Fit Center 9890 is at 9.185833 0.211260 1.125660 ESP Fit Center 9891 is at 9.059937 0.612522 1.125660 ESP Fit Center 9892 is at 8.855843 0.980228 1.125660 ESP Fit Center 9893 is at 8.855843 -1.394489 1.125660 ESP Fit Center 9894 is at 9.059937 -1.026784 1.125660 ESP Fit Center 9895 is at 9.185833 -0.625522 1.125660 ESP Fit Center 9896 is at 9.405181 -0.207131 0.746508 ESP Fit Center 9897 is at 9.364425 0.219680 0.746508 ESP Fit Center 9898 is at 9.243632 0.631066 0.746508 ESP Fit Center 9899 is at 9.047166 1.012156 0.746508 ESP Fit Center 9900 is at 8.782129 1.349178 0.746508 ESP Fit Center 9901 is at 9.047166 -1.426418 0.746508 ESP Fit Center 9902 is at 9.243632 -1.045327 0.746508 ESP Fit Center 9903 is at 9.364425 -0.633942 0.746508 ESP Fit Center 9904 is at 9.513457 -0.207131 0.342415 ESP Fit Center 9905 is at 9.475474 0.214895 0.342415 ESP Fit Center 9906 is at 9.362746 0.623357 0.342415 ESP Fit Center 9907 is at 9.178895 1.005126 0.342415 ESP Fit Center 9908 is at 8.929832 1.347933 0.342415 ESP Fit Center 9909 is at 9.178895 -1.419388 0.342415 ESP Fit Center 9910 is at 9.362746 -1.037619 0.342415 ESP Fit Center 9911 is at 9.475474 -0.629157 0.342415 ESP Fit Center 9912 is at 9.549919 -0.207131 -0.074340 ESP Fit Center 9913 is at 9.513457 0.209625 -0.074340 ESP Fit Center 9914 is at 9.405181 0.613718 -0.074340 ESP Fit Center 9915 is at 9.228380 0.992869 -0.074340 ESP Fit Center 9916 is at 8.988425 1.335559 -0.074340 ESP Fit Center 9917 is at 9.228380 -1.407131 -0.074340 ESP Fit Center 9918 is at 9.405181 -1.027979 -0.074340 ESP Fit Center 9919 is at 9.513457 -0.623886 -0.074340 ESP Fit Center 9920 is at 9.513457 -0.207131 -0.491096 ESP Fit Center 9921 is at 9.475474 0.214895 -0.491096 ESP Fit Center 9922 is at 9.362746 0.623357 -0.491096 ESP Fit Center 9923 is at 9.178895 1.005126 -0.491096 ESP Fit Center 9924 is at 8.929832 1.347933 -0.491096 ESP Fit Center 9925 is at 9.178895 -1.419388 -0.491096 ESP Fit Center 9926 is at 9.362746 -1.037619 -0.491096 ESP Fit Center 9927 is at 9.475474 -0.629157 -0.491096 ESP Fit Center 9928 is at 9.405181 -0.207131 -0.895189 ESP Fit Center 9929 is at 9.364425 0.219680 -0.895189 ESP Fit Center 9930 is at 9.243632 0.631066 -0.895189 ESP Fit Center 9931 is at 9.047166 1.012156 -0.895189 ESP Fit Center 9932 is at 8.782129 1.349178 -0.895189 ESP Fit Center 9933 is at 9.047166 -1.426418 -0.895189 ESP Fit Center 9934 is at 9.243632 -1.045327 -0.895189 ESP Fit Center 9935 is at 9.364425 -0.633942 -0.895189 ESP Fit Center 9936 is at 9.228380 -0.207131 -1.274340 ESP Fit Center 9937 is at 9.185833 0.211260 -1.274340 ESP Fit Center 9938 is at 9.059937 0.612522 -1.274340 ESP Fit Center 9939 is at 8.855843 0.980228 -1.274340 ESP Fit Center 9940 is at 8.855843 -1.394489 -1.274340 ESP Fit Center 9941 is at 9.059937 -1.026784 -1.274340 ESP Fit Center 9942 is at 9.185833 -0.625522 -1.274340 ESP Fit Center 9943 is at 8.988425 -0.207131 -1.617031 ESP Fit Center 9944 is at 8.938868 0.216858 -1.617031 ESP Fit Center 9945 is at 8.792868 0.617989 -1.617031 ESP Fit Center 9946 is at 8.558296 0.974638 -1.617031 ESP Fit Center 9947 is at 8.558296 -1.388900 -1.617031 ESP Fit Center 9948 is at 8.792868 -1.032251 -1.617031 ESP Fit Center 9949 is at 8.938868 -0.631120 -1.617031 ESP Fit Center 9950 is at 8.692609 -0.207131 -1.912847 ESP Fit Center 9951 is at 8.635402 0.209082 -1.912847 ESP Fit Center 9952 is at 8.468023 0.594426 -1.912847 ESP Fit Center 9953 is at 8.202887 -1.334584 -1.912847 ESP Fit Center 9954 is at 8.468023 -1.008688 -1.912847 ESP Fit Center 9955 is at 8.635402 -0.623344 -1.912847 ESP Fit Center 9956 is at 8.349919 -0.207131 -2.152801 ESP Fit Center 9957 is at 8.277550 0.203293 -2.152801 ESP Fit Center 9958 is at 7.749919 -1.246361 -2.152801 ESP Fit Center 9959 is at 8.069172 -0.978476 -2.152801 ESP Fit Center 9960 is at 8.277550 -0.617555 -2.152801 ESP Fit Center 9961 is at 5.953732 0.792181 3.235988 ESP Fit Center 9962 is at 6.370487 0.792181 3.199527 ESP Fit Center 9963 is at 6.162109 1.153102 3.199527 ESP Fit Center 9964 is at 5.745354 1.153102 3.199527 ESP Fit Center 9965 is at 5.536976 0.792181 3.199527 ESP Fit Center 9966 is at 5.745354 0.431260 3.199527 ESP Fit Center 9967 is at 6.162109 0.431260 3.199527 ESP Fit Center 9968 is at 6.774580 0.792181 3.091250 ESP Fit Center 9969 is at 6.664607 1.202605 3.091250 ESP Fit Center 9970 is at 6.364156 1.503056 3.091250 ESP Fit Center 9971 is at 5.953732 1.613029 3.091250 ESP Fit Center 9972 is at 5.543307 1.503056 3.091250 ESP Fit Center 9973 is at 5.242856 1.202605 3.091250 ESP Fit Center 9974 is at 5.132883 0.792181 3.091250 ESP Fit Center 9975 is at 5.242856 0.381757 3.091250 ESP Fit Center 9976 is at 5.543307 0.081305 3.091250 ESP Fit Center 9977 is at 5.953732 -0.028667 3.091250 ESP Fit Center 9978 is at 6.364156 0.081305 3.091250 ESP Fit Center 9979 is at 6.664607 0.381757 3.091250 ESP Fit Center 9980 is at 7.153732 0.792181 2.914449 ESP Fit Center 9981 is at 7.081363 1.202605 2.914449 ESP Fit Center 9982 is at 6.872985 1.563526 2.914449 ESP Fit Center 9983 is at 6.553732 1.831411 2.914449 ESP Fit Center 9984 is at 6.162109 1.973950 2.914449 ESP Fit Center 9985 is at 5.745354 1.973950 2.914449 ESP Fit Center 9986 is at 5.353732 1.831411 2.914449 ESP Fit Center 9987 is at 5.034478 1.563526 2.914449 ESP Fit Center 9988 is at 4.826101 1.202605 2.914449 ESP Fit Center 9989 is at 4.753732 0.792181 2.914449 ESP Fit Center 9990 is at 4.826101 0.381757 2.914449 ESP Fit Center 9991 is at 5.034478 0.020836 2.914449 ESP Fit Center 9992 is at 5.353732 -0.247050 2.914449 ESP Fit Center 9993 is at 5.745354 -0.389588 2.914449 ESP Fit Center 9994 is at 6.162109 -0.389588 2.914449 ESP Fit Center 9995 is at 6.553732 -0.247050 2.914449 ESP Fit Center 9996 is at 6.872985 0.020836 2.914449 ESP Fit Center 9997 is at 7.081363 0.381757 2.914449 ESP Fit Center 9998 is at 7.496422 0.792181 2.674495 ESP Fit Center 9999 is at 7.439215 1.208394 2.674495 ESP Fit Center **** is at 7.271836 1.593738 2.674495 ESP Fit Center **** is at 7.006700 1.919634 2.674495 ESP Fit Center **** is at 6.663470 2.161913 2.674495 ESP Fit Center **** is at 6.267601 2.302604 2.674495 ESP Fit Center **** is at 5.848455 2.331275 2.674495 ESP Fit Center **** is at 5.437116 2.245798 2.674495 ESP Fit Center **** is at 5.064093 2.052512 2.674495 ESP Fit Center **** is at 4.757049 1.765754 2.674495 ESP Fit Center **** is at 4.538759 1.406790 2.674495 ESP Fit Center **** is at 7.439215 0.375968 2.674495 ESP Fit Center **** is at 7.792238 0.792181 2.378678 ESP Fit Center **** is at 7.742681 1.216170 2.378678 ESP Fit Center **** is at 7.596681 1.617301 2.378678 ESP Fit Center **** is at 7.362109 1.973950 2.378678 ESP Fit Center **** is at 7.051612 2.266890 2.378678 ESP Fit Center **** is at 6.681927 2.480327 2.378678 ESP Fit Center **** is at 6.272985 2.602757 2.378678 ESP Fit Center **** is at 5.846832 2.627577 2.378678 ESP Fit Center **** is at 5.426442 2.553451 2.378678 ESP Fit Center **** is at 5.034478 2.384374 2.378678 ESP Fit Center **** is at 4.692072 2.129462 2.378678 ESP Fit Center **** is at 7.863750 1.611834 2.035988 ESP Fit Center **** is at 7.659656 1.979540 2.035988 ESP Fit Center **** is at 7.385723 2.298634 2.035988 ESP Fit Center **** is at 7.053163 2.556055 2.035988 ESP Fit Center **** is at 6.675592 2.741262 2.035988 ESP Fit Center **** is at 6.268468 2.846674 2.035988 ESP Fit Center **** is at 5.848459 2.867974 2.035988 ESP Fit Center **** is at 5.432760 2.804291 2.035988 ESP Fit Center **** is at 5.038390 2.658233 2.035988 ESP Fit Center **** is at 4.681493 2.435777 2.035988 ESP Fit Center **** is at 7.850979 2.011468 1.656836 ESP Fit Center **** is at 7.585942 2.348490 1.656836 ESP Fit Center **** is at 7.261912 2.629263 1.656836 ESP Fit Center **** is at 6.890601 2.843640 1.656836 ESP Fit Center **** is at 6.485430 2.983871 1.656836 ESP Fit Center **** is at 6.061041 3.044889 1.656836 ESP Fit Center **** is at 5.632774 3.024488 1.656836 ESP Fit Center **** is at 5.216108 2.923406 1.656836 ESP Fit Center **** is at 4.826101 2.745295 1.656836 ESP Fit Center **** is at 7.733645 2.347245 1.252744 ESP Fit Center **** is at 7.427374 2.640070 1.252744 ESP Fit Center **** is at 7.073739 2.873503 1.252744 ESP Fit Center **** is at 6.684105 3.040040 1.252744 ESP Fit Center **** is at 6.270997 3.134329 1.252744 ESP Fit Center **** is at 5.847692 3.153340 1.252744 ESP Fit Center **** is at 5.427795 3.096461 1.252744 ESP Fit Center **** is at 5.024802 2.965520 1.252744 ESP Fit Center **** is at 7.153732 2.870642 0.835988 ESP Fit Center **** is at 6.774580 3.047443 0.835988 ESP Fit Center **** is at 6.370487 3.155720 0.835988 ESP Fit Center **** is at 5.953732 3.192181 0.835988 ESP Fit Center **** is at 5.536976 3.155720 0.835988 ESP Fit Center **** is at 5.132883 3.047443 0.835988 ESP Fit Center **** is at 6.270997 3.134329 0.419232 ESP Fit Center **** is at 5.847692 3.153340 0.419232 ESP Fit Center **** is at 5.427795 3.096461 0.419232 ESP Fit Center **** is at 6.249209 3.152066 -0.521140 ESP Fit Center **** is at 5.825904 3.171077 -0.521140 ESP Fit Center **** is at 5.406006 3.114198 -0.521140 ESP Fit Center **** is at 7.131943 2.888379 -0.937896 ESP Fit Center **** is at 6.752792 3.065181 -0.937896 ESP Fit Center **** is at 6.348699 3.173457 -0.937896 ESP Fit Center **** is at 5.931943 3.209918 -0.937896 ESP Fit Center **** is at 5.515188 3.173457 -0.937896 ESP Fit Center **** is at 5.111095 3.065181 -0.937896 ESP Fit Center **** is at 7.711857 2.364982 -1.354652 ESP Fit Center **** is at 7.405585 2.657807 -1.354652 ESP Fit Center **** is at 7.051950 2.891240 -1.354652 ESP Fit Center **** is at 6.662317 3.057777 -1.354652 ESP Fit Center **** is at 6.249209 3.152066 -1.354652 ESP Fit Center **** is at 5.825904 3.171077 -1.354652 ESP Fit Center **** is at 5.406006 3.114198 -1.354652 ESP Fit Center **** is at 5.003013 2.983258 -1.354652 ESP Fit Center **** is at 7.829191 2.029205 -1.758744 ESP Fit Center **** is at 7.564153 2.366227 -1.758744 ESP Fit Center **** is at 7.240124 2.647001 -1.758744 ESP Fit Center **** is at 6.868813 2.861377 -1.758744 ESP Fit Center **** is at 6.463642 3.001608 -1.758744 ESP Fit Center **** is at 6.039253 3.062626 -1.758744 ESP Fit Center **** is at 5.610986 3.042225 -1.758744 ESP Fit Center **** is at 5.194319 2.941143 -1.758744 ESP Fit Center **** is at 4.804312 2.763033 -1.758744 ESP Fit Center **** is at 7.841961 1.629572 -2.137896 ESP Fit Center **** is at 7.637868 1.997277 -2.137896 ESP Fit Center **** is at 7.363934 2.316372 -2.137896 ESP Fit Center **** is at 7.031374 2.573792 -2.137896 ESP Fit Center **** is at 6.653804 2.758999 -2.137896 ESP Fit Center **** is at 6.246680 2.864411 -2.137896 ESP Fit Center **** is at 5.826671 2.885712 -2.137896 ESP Fit Center **** is at 5.410972 2.822029 -2.137896 ESP Fit Center **** is at 5.016601 2.675970 -2.137896 ESP Fit Center **** is at 4.659705 2.453515 -2.137896 ESP Fit Center **** is at 7.720893 1.233907 -2.480586 ESP Fit Center **** is at 7.574893 1.635039 -2.480586 ESP Fit Center **** is at 7.340321 1.991688 -2.480586 ESP Fit Center **** is at 7.029823 2.284627 -2.480586 ESP Fit Center **** is at 6.660139 2.498065 -2.480586 ESP Fit Center **** is at 6.251197 2.620494 -2.480586 ESP Fit Center **** is at 5.825044 2.645314 -2.480586 ESP Fit Center **** is at 5.404654 2.571188 -2.480586 ESP Fit Center **** is at 5.012690 2.402112 -2.480586 ESP Fit Center **** is at 4.670283 2.147200 -2.480586 ESP Fit Center **** is at 7.474634 0.809918 -2.776403 ESP Fit Center **** is at 7.417426 1.226131 -2.776403 ESP Fit Center **** is at 7.250048 1.611475 -2.776403 ESP Fit Center **** is at 6.984911 1.937372 -2.776403 ESP Fit Center **** is at 6.641681 2.179650 -2.776403 ESP Fit Center **** is at 6.245813 2.320342 -2.776403 ESP Fit Center **** is at 5.826666 2.349012 -2.776403 ESP Fit Center **** is at 5.415328 2.263535 -2.776403 ESP Fit Center **** is at 5.042304 2.070250 -2.776403 ESP Fit Center **** is at 4.735261 1.783492 -2.776403 ESP Fit Center **** is at 4.516970 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ESP Fit Center **** is at 8.824655 -2.286462 1.152038 ESP Fit Center **** is at 8.782109 -1.868071 1.152038 ESP Fit Center **** is at 7.845625 -4.050336 1.152038 ESP Fit Center **** is at 8.178185 -3.792915 1.152038 ESP Fit Center **** is at 8.452119 -3.473820 1.152038 ESP Fit Center **** is at 8.656212 -3.106115 1.152038 ESP Fit Center **** is at 8.782109 -2.704853 1.152038 ESP Fit Center **** is at 9.001456 -2.286462 0.772886 ESP Fit Center **** is at 8.960701 -1.859650 0.772886 ESP Fit Center **** is at 7.683064 -4.337920 0.772886 ESP Fit Center **** is at 8.054374 -4.123544 0.772886 ESP Fit Center **** is at 8.378404 -3.842771 0.772886 ESP Fit Center **** is at 8.643441 -3.505748 0.772886 ESP Fit Center **** is at 8.839907 -3.124658 0.772886 ESP Fit Center **** is at 8.960701 -2.713273 0.772886 ESP Fit Center **** is at 9.109733 -2.286462 0.368793 ESP Fit Center **** is at 9.071750 -1.864436 0.368793 ESP Fit Center **** is at 7.866201 -4.367783 0.368793 ESP Fit Center **** is at 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ESP Fit Center **** is at 3.426491 -4.306598 -0.961507 ESP Fit Center **** is at 3.722308 -4.602414 -0.961507 ESP Fit Center **** is at 4.064998 -4.842369 -0.961507 ESP Fit Center **** is at 4.444150 -5.019170 -0.961507 ESP Fit Center **** is at 4.848242 -5.127446 -0.961507 ESP Fit Center **** is at 5.264998 -5.163908 -0.961507 ESP Fit Center **** is at 5.681754 -5.127446 -0.961507 ESP Fit Center **** is at 3.135523 -3.789409 -1.378263 ESP Fit Center **** is at 3.352855 -4.153161 -1.378263 ESP Fit Center **** is at 3.631645 -4.472261 -1.378263 ESP Fit Center **** is at 3.962932 -4.736454 -1.378263 ESP Fit Center **** is at 4.336068 -4.937247 -1.378263 ESP Fit Center **** is at 4.739061 -5.068187 -1.378263 ESP Fit Center **** is at 5.158958 -5.125066 -1.378263 ESP Fit Center **** is at 5.582263 -5.106056 -1.378263 ESP Fit Center **** is at 5.995371 -5.011767 -1.378263 ESP Fit Center **** is at 3.101090 -3.399289 -1.782355 ESP Fit Center **** is at 3.260441 -3.797329 -1.782355 ESP Fit Center **** is at 3.492242 -4.158018 -1.782355 ESP Fit Center **** is at 3.788115 -4.468321 -1.782355 ESP Fit Center **** is at 4.137367 -4.717022 -1.782355 ESP Fit Center **** is at 4.527374 -4.895132 -1.782355 ESP Fit Center **** is at 4.944041 -4.996215 -1.782355 ESP Fit Center **** is at 5.372308 -5.016616 -1.782355 ESP Fit Center **** is at 5.796696 -4.955598 -1.782355 ESP Fit Center **** is at 6.201868 -4.815366 -1.782355 ESP Fit Center **** is at 6.573178 -4.600990 -1.782355 ESP Fit Center **** is at 3.197201 -2.974182 -2.161507 ESP Fit Center **** is at 3.281857 -3.386122 -2.161507 ESP Fit Center **** is at 3.447703 -3.772589 -2.161507 ESP Fit Center **** is at 3.687949 -4.117760 -2.161507 ESP Fit Center **** is at 3.992759 -4.407504 -2.161507 ESP Fit Center **** is at 4.349656 -4.629959 -2.161507 ESP Fit Center **** is at 4.744026 -4.776018 -2.161507 ESP Fit Center **** is at 5.159726 -4.839701 -2.161507 ESP Fit Center **** is at 5.579735 -4.818401 -2.161507 ESP Fit Center **** is at 5.986858 -4.712989 -2.161507 ESP Fit Center **** is at 6.364429 -4.527782 -2.161507 ESP Fit Center **** is at 6.696989 -4.270361 -2.161507 ESP Fit Center **** is at 6.970923 -3.951266 -2.161507 ESP Fit Center **** is at 3.438923 -2.550470 -2.504197 ESP Fit Center **** is at 3.438923 -2.977345 -2.504197 ESP Fit Center **** is at 3.537367 -3.392714 -2.504197 ESP Fit Center **** is at 3.728948 -3.774184 -2.504197 ESP Fit Center **** is at 4.003338 -4.101189 -2.504197 ESP Fit Center **** is at 4.345745 -4.356101 -2.504197 ESP Fit Center **** is at 4.737708 -4.525178 -2.504197 ESP Fit Center **** is at 5.158098 -4.599304 -2.504197 ESP Fit Center **** is at 5.584251 -4.574483 -2.504197 ESP Fit Center **** is at 5.993193 -4.452054 -2.504197 ESP Fit Center **** is at 6.362878 -4.238617 -2.504197 ESP Fit Center **** is at 6.673376 -3.945677 -2.504197 ESP Fit Center **** is at 6.907947 -3.589028 -2.504197 ESP Fit Center **** is at 6.807688 -2.763908 -2.800014 ESP Fit Center **** is at 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-1.582138 -3.039968 ESP Fit Center **** is at 4.664998 -1.724677 -3.039968 ESP Fit Center **** is at 4.345745 -1.992563 -3.039968 ESP Fit Center **** is at 4.137367 -2.353484 -3.039968 ESP Fit Center **** is at 4.064998 -2.763908 -3.039968 ESP Fit Center **** is at 4.137367 -3.174332 -3.039968 ESP Fit Center **** is at 4.345745 -3.535253 -3.039968 ESP Fit Center **** is at 4.664998 -3.803138 -3.039968 ESP Fit Center **** is at 5.056620 -3.945677 -3.039968 ESP Fit Center **** is at 5.473376 -3.945677 -3.039968 ESP Fit Center **** is at 5.864998 -3.803138 -3.039968 ESP Fit Center **** is at 6.184251 -3.535253 -3.039968 ESP Fit Center **** is at 6.392629 -3.174332 -3.039968 ESP Fit Center **** is at 6.085846 -2.763908 -3.216769 ESP Fit Center **** is at 5.975873 -2.353484 -3.216769 ESP Fit Center **** is at 5.675422 -2.053032 -3.216769 ESP Fit Center **** is at 5.264998 -1.943059 -3.216769 ESP Fit Center **** is at 4.854574 -2.053032 -3.216769 ESP Fit Center **** is at 4.554122 -2.353484 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Fit Center **** is at 5.028370 -3.143622 3.175675 ESP Fit Center **** is at 5.445126 -3.143622 3.175675 ESP Fit Center **** is at 6.057596 -2.782701 3.067398 ESP Fit Center **** is at 5.947624 -2.372277 3.067398 ESP Fit Center **** is at 5.647172 -2.071826 3.067398 ESP Fit Center **** is at 5.236748 -1.961853 3.067398 ESP Fit Center **** is at 4.826324 -2.071826 3.067398 ESP Fit Center **** is at 4.525873 -2.372277 3.067398 ESP Fit Center **** is at 4.415900 -2.782701 3.067398 ESP Fit Center **** is at 4.525873 -3.193126 3.067398 ESP Fit Center **** is at 4.826324 -3.493577 3.067398 ESP Fit Center **** is at 5.236748 -3.603550 3.067398 ESP Fit Center **** is at 5.647172 -3.493577 3.067398 ESP Fit Center **** is at 5.947624 -3.193126 3.067398 ESP Fit Center **** is at 6.436748 -2.782701 2.890597 ESP Fit Center **** is at 6.364379 -2.372277 2.890597 ESP Fit Center **** is at 6.156001 -2.011356 2.890597 ESP Fit Center **** is at 5.836748 -1.743471 2.890597 ESP Fit Center **** is at 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ESP Fit Center **** is at 4.347109 -4.043033 2.650643 ESP Fit Center **** is at 4.720133 -4.236318 2.650643 ESP Fit Center **** is at 5.131471 -4.321795 2.650643 ESP Fit Center **** is at 5.550618 -4.293125 2.650643 ESP Fit Center **** is at 5.946486 -4.152433 2.650643 ESP Fit Center **** is at 6.289716 -3.910155 2.650643 ESP Fit Center **** is at 6.554853 -3.584259 2.650643 ESP Fit Center **** is at 6.722231 -3.198914 2.650643 ESP Fit Center **** is at 3.410673 -2.569264 2.354826 ESP Fit Center **** is at 3.410673 -2.996139 2.354826 ESP Fit Center **** is at 3.509117 -3.411508 2.354826 ESP Fit Center **** is at 3.700698 -3.792977 2.354826 ESP Fit Center **** is at 3.975088 -4.119983 2.354826 ESP Fit Center **** is at 4.317495 -4.374895 2.354826 ESP Fit Center **** is at 4.709458 -4.543972 2.354826 ESP Fit Center **** is at 5.129848 -4.618098 2.354826 ESP Fit Center **** is at 5.556001 -4.593277 2.354826 ESP Fit Center **** is at 5.964943 -4.470848 2.354826 ESP Fit Center **** is at 6.334628 -4.257410 2.354826 ESP Fit Center **** is at 6.645126 -3.964471 2.354826 ESP Fit Center **** is at 6.879698 -3.607822 2.354826 ESP Fit Center **** is at 3.168951 -2.992976 2.012136 ESP Fit Center **** is at 3.253607 -3.404916 2.012136 ESP Fit Center **** is at 3.419453 -3.791383 2.012136 ESP Fit Center **** is at 3.659699 -4.136554 2.012136 ESP Fit Center **** is at 3.964510 -4.426298 2.012136 ESP Fit Center **** is at 4.321406 -4.648753 2.012136 ESP Fit Center **** is at 4.715777 -4.794812 2.012136 ESP Fit Center **** is at 5.131476 -4.858495 2.012136 ESP Fit Center **** is at 5.551485 -4.837194 2.012136 ESP Fit Center **** is at 5.958608 -4.731783 2.012136 ESP Fit Center **** is at 6.336179 -4.546575 2.012136 ESP Fit Center **** is at 6.668739 -4.289155 2.012136 ESP Fit Center **** is at 3.072840 -3.418082 1.632984 ESP Fit Center **** is at 3.232191 -3.816122 1.632984 ESP Fit Center **** is at 3.463992 -4.176812 1.632984 ESP Fit Center **** is at 3.759865 -4.487115 1.632984 ESP Fit Center **** is at 4.109117 -4.735816 1.632984 ESP Fit Center **** is at 4.499124 -4.913926 1.632984 ESP Fit Center **** is at 4.915791 -5.015008 1.632984 ESP Fit Center **** is at 5.344058 -5.035409 1.632984 ESP Fit Center **** is at 5.768446 -4.974391 1.632984 ESP Fit Center **** is at 6.173618 -4.834160 1.632984 ESP Fit Center **** is at 6.544929 -4.619784 1.632984 ESP Fit Center **** is at 3.107273 -3.808202 1.228892 ESP Fit Center **** is at 3.324605 -4.171955 1.228892 ESP Fit Center **** is at 3.603395 -4.491055 1.228892 ESP Fit Center **** is at 3.934682 -4.755248 1.228892 ESP Fit Center **** is at 4.307818 -4.956041 1.228892 ESP Fit Center **** is at 4.710811 -5.086981 1.228892 ESP Fit Center **** is at 5.130708 -5.143860 1.228892 ESP Fit Center **** is at 5.554014 -5.124850 1.228892 ESP Fit Center **** is at 5.967122 -5.030560 1.228892 ESP Fit Center **** is at 3.158287 -3.982701 0.812136 ESP Fit Center **** is at 3.398241 -4.325392 0.812136 ESP Fit Center **** is at 3.694058 -4.621208 0.812136 ESP Fit Center **** is at 4.036748 -4.861162 0.812136 ESP Fit Center **** is at 4.415900 -5.037964 0.812136 ESP Fit Center **** is at 4.819992 -5.146240 0.812136 ESP Fit Center **** is at 5.236748 -5.182701 0.812136 ESP Fit Center **** is at 5.653504 -5.146240 0.812136 ESP Fit Center **** is at 3.107273 -3.808202 0.395380 ESP Fit Center **** is at 3.324605 -4.171955 0.395380 ESP Fit Center **** is at 3.603395 -4.491055 0.395380 ESP Fit Center **** is at 3.934682 -4.755248 0.395380 ESP Fit Center **** is at 4.307818 -4.956041 0.395380 ESP Fit Center **** is at 4.710811 -5.086981 0.395380 Entering OneElI... OneElI was handed 2147269496 working-precision words. Calculate electrostatic properties NBasis = 326 MinDer = 0 MaxDer = 0 NGrid = 10454 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 24.34 SMaxX= 21.45 Shift= 7.937865 6.748529 1.816985 Box 1 Number 0 centers from 1 to 110: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.43D+01 RnKept= 1.25D+01 NSMCal= 6105 NSMKep= 2488 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178698381 working-precision words and 2488 shell-pairs PRISM was handed 178698381 working-precision words and 2488 shell-pairs PRISM was handed 178698381 working-precision words and 2488 shell-pairs PRISM was handed 178698381 working-precision words and 2488 shell-pairs PRISM was handed 178698381 working-precision words and 2488 shell-pairs PRISM was handed 178698381 working-precision words and 2488 shell-pairs PRISM was handed 178698381 working-precision words and 2488 shell-pairs PRISM was handed 178698381 working-precision words and 2488 shell-pairs PRISM was handed 178698381 working-precision words and 2488 shell-pairs PRISM was handed 178698381 working-precision words and 2488 shell-pairs PRISM was handed 178698381 working-precision words and 2488 shell-pairs PRISM was handed 178698381 working-precision words and 2488 shell-pairs IPart= 11 NShTot= 1892174 NBatch= 1831 AvBLen= 1033.4 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 10 NShTot= 1954898 NBatch= 1897 AvBLen= 1030.5 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 9 NShTot= 1975806 NBatch= 1928 AvBLen= 1024.8 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 7 NShTot= 2080346 NBatch= 2061 AvBLen= 1009.4 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 8 NShTot= 2038530 NBatch= 2021 AvBLen= 1008.7 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 6 NShTot= 2122162 NBatch= 2110 AvBLen= 1005.8 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 5 NShTot= 2174432 NBatch= 2220 AvBLen= 979.5 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 4 NShTot= 2195340 NBatch= 2240 AvBLen= 980.1 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 2 NShTot= 2299880 NBatch= 2342 AvBLen= 982.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 2247610 NBatch= 2286 AvBLen= 983.2 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 1 NShTot= 2414874 NBatch= 2482 AvBLen= 973.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 0 NShTot= 2613500 NBatch= 3118 AvBLen= 838.2 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 10422 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00144 RRMS= 0.05372: ESP charges: 1 1 C 0.247397 2 C -0.371182 3 O -0.735615 4 N -0.805781 5 O -0.615813 6 C 0.690656 7 C 0.233386 8 N -0.557791 9 C 0.125647 10 N 0.292846 11 C -0.008088 12 N -0.711190 13 C 1.065495 14 N -0.818123 15 H 0.083469 16 H 0.103123 17 H 0.105212 18 C 0.443319 19 Br 0.045365 20 H 0.441309 21 H 0.094539 22 H 0.481175 23 N -0.005171 24 H 0.068957 25 C -0.317234 26 C -0.274480 27 H 0.141138 28 H 0.117225 29 H 0.119658 30 H 0.144530 31 H 0.087893 32 H 0.088131 Sum of ESP charges = 0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.330865 2 C -0.068308 3 O -0.254440 4 N -0.805781 5 O -0.615813 6 C 0.690656 7 C 0.233386 8 N -0.557791 9 C 0.125647 10 N 0.292846 11 C -0.008088 12 N -0.711190 13 C 1.065495 14 N -0.376815 18 C 0.512276 19 Br 0.045365 23 N -0.005171 25 C 0.060786 26 C 0.046074 Charge= 0.00000 Dipole= 8.2058 -9.9498 0.4198 Tot= 12.9039 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.598549 2 Atom -14.718489 3 Atom -22.284237 4 Atom -18.339698 5 Atom -22.381653 6 Atom -14.615974 7 Atom -14.724800 8 Atom -18.350087 9 Atom -14.592961 10 Atom -18.261140 11 Atom -14.646894 12 Atom -18.335559 13 Atom -14.561504 14 Atom -18.273454 15 Atom -1.087693 16 Atom -1.096284 17 Atom -1.098709 18 Atom -14.604276 19 Atom -175.332545 20 Atom -0.980439 21 Atom -1.100609 22 Atom -0.959727 23 Atom -18.277609 24 Atom -1.045410 25 Atom -14.676015 26 Atom -14.661150 27 Atom -1.081668 28 Atom -1.102714 29 Atom -1.102341 30 Atom -1.067391 31 Atom -1.086727 32 Atom -1.085713 33 Fit 0.009487 34 Fit 0.007685 35 Fit 0.000465 36 Fit -0.009263 37 Fit 0.001835 38 Fit -0.005216 39 Fit 0.009185 40 Fit 0.008051 41 Fit 0.008740 42 Fit 0.009443 43 Fit 0.010620 44 Fit 0.010032 45 Fit 0.010985 46 Fit 0.011986 47 Fit 0.010511 48 Fit 0.011721 49 Fit 0.012710 50 Fit 0.013223 51 Fit 0.011165 52 Fit 0.015303 53 Fit 0.005352 54 Fit 0.011514 55 Fit 0.006047 56 Fit 0.005966 57 Fit 0.021501 58 Fit 0.014586 59 Fit 0.024626 60 Fit 0.014632 61 Fit 0.029190 62 Fit 0.028557 63 Fit 0.027708 64 Fit 0.035536 65 Fit 0.004311 66 Fit 0.003118 67 Fit -0.004891 68 Fit -0.012069 69 Fit 0.002755 70 Fit -0.016559 71 Fit -0.023996 72 Fit -0.019651 73 Fit -0.005264 74 Fit 0.014401 75 Fit 0.007952 76 Fit -0.009459 77 Fit -0.015886 78 Fit -0.022767 79 Fit -0.029750 80 Fit -0.035911 81 Fit -0.036166 82 Fit -0.025816 83 Fit -0.012845 84 Fit 0.000697 85 Fit 0.004576 86 Fit -0.002835 87 Fit -0.018333 88 Fit -0.025493 89 Fit -0.032362 90 Fit -0.037903 91 Fit -0.040600 92 Fit -0.038569 93 Fit -0.031128 94 Fit -0.020116 95 Fit -0.009356 96 Fit -0.003640 97 Fit -0.005178 98 Fit -0.011206 99 Fit -0.024463 100 Fit -0.032278 101 Fit -0.035689 102 Fit -0.030284 103 Fit -0.020517 104 Fit -0.018153 105 Fit -0.028269 106 Fit -0.000382 107 Fit -0.002768 108 Fit -0.005334 109 Fit -0.000534 110 Fit 0.004223 111 Fit 0.005394 112 Fit 0.003345 113 Fit -0.002515 114 Fit -0.008072 115 Fit -0.009274 116 Fit -0.004930 117 Fit 0.002368 118 Fit 0.010001 119 Fit 0.011745 120 Fit 0.004367 121 Fit -0.005900 122 Fit -0.011713 123 Fit -0.011630 124 Fit -0.006080 125 Fit 0.001845 126 Fit -0.014258 127 Fit -0.012417 128 Fit -0.004900 129 Fit 0.004476 130 Fit -0.015745 131 Fit -0.009941 132 Fit 0.002243 133 Fit -0.017411 134 Fit -0.013809 135 Fit -0.001304 136 Fit -0.018741 137 Fit -0.016527 138 Fit -0.005082 139 Fit -0.019411 140 Fit -0.017998 141 Fit -0.007971 142 Fit -0.018886 143 Fit -0.017253 144 Fit -0.006891 145 Fit -0.017828 146 Fit -0.015400 147 Fit -0.004967 148 Fit -0.016719 149 Fit -0.012470 150 Fit -0.002605 151 Fit -0.014668 152 Fit -0.014108 153 Fit -0.007968 154 Fit 0.000485 155 Fit -0.011856 156 Fit -0.012834 157 Fit -0.008199 158 Fit -0.000525 159 Fit -0.002031 160 Fit -0.008142 161 Fit -0.010174 162 Fit -0.006553 163 Fit 0.000361 164 Fit 0.007130 165 Fit 0.010324 166 Fit 0.005060 167 Fit -0.003007 168 Fit -0.006243 169 Fit -0.002169 170 Fit 0.002225 171 Fit 0.004167 172 Fit 0.003090 173 Fit -0.001419 174 Fit -0.056121 175 Fit -0.049779 176 Fit -0.060145 177 Fit -0.065450 178 Fit -0.062458 179 Fit -0.050890 180 Fit -0.043357 181 Fit -0.042947 182 Fit -0.054247 183 Fit -0.063217 184 Fit -0.069028 185 Fit -0.072248 186 Fit -0.072801 187 Fit -0.069116 188 Fit -0.059270 189 Fit -0.034717 190 Fit -0.047736 191 Fit -0.058803 192 Fit -0.066646 193 Fit -0.071792 194 Fit -0.075319 195 Fit -0.077880 196 Fit -0.079260 197 Fit -0.078298 198 Fit -0.072987 199 Fit -0.061148 200 Fit -0.038558 201 Fit -0.052347 202 Fit -0.062487 203 Fit -0.069233 204 Fit -0.073662 205 Fit -0.076877 206 Fit -0.079645 207 Fit -0.082247 208 Fit -0.084447 209 Fit -0.085532 210 Fit -0.084221 211 Fit -0.078252 212 Fit -0.064357 213 Fit -0.026647 214 Fit -0.045647 215 Fit -0.058924 216 Fit -0.067463 217 Fit -0.072793 218 Fit -0.076314 219 Fit -0.079104 220 Fit -0.081844 221 Fit -0.084798 222 Fit -0.087849 223 Fit -0.090593 224 Fit -0.092359 225 Fit -0.091746 226 Fit -0.036768 227 Fit -0.053882 228 Fit -0.064574 229 Fit -0.071124 230 Fit -0.075202 231 Fit -0.078046 232 Fit -0.080536 233 Fit -0.083211 234 Fit -0.086290 235 Fit -0.089729 236 Fit -0.093336 237 Fit -0.096899 238 Fit -0.100142 239 Fit -0.030989 240 Fit -0.051203 241 Fit -0.063300 242 Fit -0.070542 243 Fit -0.074936 244 Fit -0.077866 245 Fit -0.080307 246 Fit -0.082888 247 Fit -0.085923 248 Fit -0.089465 249 Fit -0.093415 250 Fit -0.097697 251 Fit -0.102477 252 Fit -0.030341 253 Fit -0.050827 254 Fit -0.063059 255 Fit -0.070385 256 Fit -0.074836 257 Fit -0.077807 258 Fit -0.080280 259 Fit -0.082885 260 Fit -0.085939 261 Fit -0.089497 262 Fit -0.093467 263 Fit -0.097792 264 Fit -0.102679 265 Fit -0.035133 266 Fit -0.052871 267 Fit -0.063910 268 Fit -0.070684 269 Fit -0.074919 270 Fit -0.077880 271 Fit -0.080457 272 Fit -0.083197 273 Fit -0.086325 274 Fit -0.089809 275 Fit -0.093478 276 Fit -0.097178 277 Fit -0.100726 278 Fit -0.023473 279 Fit -0.043613 280 Fit -0.057583 281 Fit -0.066566 282 Fit -0.072201 283 Fit -0.075940 284 Fit -0.078887 285 Fit -0.081739 286 Fit -0.084768 287 Fit -0.087874 288 Fit -0.090682 289 Fit -0.092566 290 Fit -0.092059 291 Fit -0.035438 292 Fit -0.050151 293 Fit -0.060971 294 Fit -0.068194 295 Fit -0.072959 296 Fit -0.076409 297 Fit -0.079331 298 Fit -0.082017 299 Fit -0.084243 300 Fit -0.085296 301 Fit -0.083835 302 Fit -0.077225 303 Fit -0.044699 304 Fit -0.056684 305 Fit -0.065185 306 Fit -0.070774 307 Fit -0.074574 308 Fit -0.077258 309 Fit -0.078607 310 Fit -0.077400 311 Fit -0.071416 312 Fit -0.057989 313 Fit -0.038715 314 Fit -0.051342 315 Fit -0.061212 316 Fit -0.067569 317 Fit -0.071021 318 Fit -0.071467 319 Fit -0.067199 320 Fit -0.056008 321 Fit -0.045847 322 Fit -0.057556 323 Fit -0.063358 324 Fit -0.059800 325 Fit -0.046551 326 Fit -0.052761 327 Fit -0.013167 328 Fit -0.008410 329 Fit -0.019216 330 Fit -0.026234 331 Fit -0.019879 332 Fit -0.009239 333 Fit -0.003887 334 Fit -0.013752 335 Fit -0.026684 336 Fit -0.038320 337 Fit -0.027806 338 Fit -0.017344 339 Fit 0.000317 340 Fit 0.003270 341 Fit -0.019881 342 Fit -0.042712 343 Fit -0.054587 344 Fit -0.016802 345 Fit -0.031679 346 Fit -0.048786 347 Fit -0.038661 348 Fit -0.011447 349 Fit -0.021788 350 Fit -0.032784 351 Fit -0.037092 352 Fit -0.033157 353 Fit -0.025273 354 Fit 0.000276 355 Fit 0.004184 356 Fit -0.006577 357 Fit -0.015544 358 Fit -0.021844 359 Fit -0.017419 360 Fit -0.008438 361 Fit -0.002857 362 Fit -0.010868 363 Fit -0.016759 364 Fit -0.009745 365 Fit -0.015923 366 Fit -0.023918 367 Fit -0.022644 368 Fit -0.015007 369 Fit -0.010445 370 Fit -0.000568 371 Fit -0.025156 372 Fit -0.032834 373 Fit -0.018584 374 Fit -0.010057 375 Fit -0.001808 376 Fit -0.040589 377 Fit -0.003779 378 Fit -0.058300 379 Fit -0.052809 380 Fit -0.037524 381 Fit -0.003203 382 Fit -0.005963 383 Fit -0.024865 384 Fit -0.032229 385 Fit -0.034000 386 Fit -0.019631 387 Fit -0.012315 388 Fit -0.012113 389 Fit -0.017536 390 Fit -0.024774 391 Fit -0.023784 392 Fit -0.017019 393 Fit -0.012836 394 Fit -0.018630 395 Fit -0.035841 396 Fit -0.031653 397 Fit -0.040977 398 Fit -0.045109 399 Fit -0.039408 400 Fit -0.029885 401 Fit -0.026231 402 Fit -0.035563 403 Fit -0.045804 404 Fit -0.052876 405 Fit -0.054226 406 Fit -0.050199 407 Fit -0.015837 408 Fit -0.020121 409 Fit -0.053120 410 Fit -0.061190 411 Fit -0.063749 412 Fit -0.062117 413 Fit -0.056946 414 Fit -0.063800 415 Fit -0.071480 416 Fit -0.073317 417 Fit -0.072189 418 Fit -0.068714 419 Fit -0.085217 420 Fit -0.083378 421 Fit -0.080656 422 Fit -0.076975 423 Fit -0.071736 424 Fit -0.097604 425 Fit -0.091231 426 Fit -0.086607 427 Fit -0.082149 428 Fit -0.076690 429 Fit -0.101348 430 Fit -0.093698 431 Fit -0.088501 432 Fit -0.083502 433 Fit -0.106046 434 Fit -0.096648 435 Fit -0.090874 436 Fit -0.085986 437 Fit -0.080484 438 Fit -0.098791 439 Fit -0.092155 440 Fit -0.087415 441 Fit -0.082633 442 Fit -0.092344 443 Fit -0.088051 444 Fit -0.084434 445 Fit -0.080468 446 Fit -0.075249 447 Fit -0.079401 448 Fit -0.079519 449 Fit -0.077918 450 Fit -0.074839 451 Fit -0.069917 452 Fit -0.058553 453 Fit -0.066954 454 Fit -0.069911 455 Fit -0.069603 456 Fit -0.066647 457 Fit -0.050229 458 Fit -0.058233 459 Fit -0.061312 460 Fit -0.060217 461 Fit -0.035203 462 Fit -0.044397 463 Fit -0.051156 464 Fit -0.052808 465 Fit -0.049300 466 Fit -0.017534 467 Fit -0.032001 468 Fit -0.040496 469 Fit -0.044548 470 Fit -0.027335 471 Fit -0.036176 472 Fit -0.003651 473 Fit -0.011812 474 Fit -0.016848 475 Fit 0.005822 476 Fit 0.008635 477 Fit 0.003215 478 Fit 0.001846 479 Fit 0.005848 480 Fit -0.000790 481 Fit 0.008839 482 Fit 0.000316 483 Fit -0.010518 484 Fit -0.012492 485 Fit 0.002605 486 Fit -0.005670 487 Fit -0.009242 488 Fit -0.012906 489 Fit -0.015693 490 Fit -0.014088 491 Fit -0.006548 492 Fit -0.011200 493 Fit 0.002110 494 Fit 0.003637 495 Fit -0.000102 496 Fit -0.003565 497 Fit 0.000522 498 Fit 0.005916 499 Fit 0.006406 500 Fit 0.005245 501 Fit 0.001343 502 Fit 0.000058 503 Fit 0.009074 504 Fit 0.013108 505 Fit 0.007096 506 Fit 0.008715 507 Fit 0.000043 508 Fit -0.002761 509 Fit -0.010422 510 Fit 0.002816 511 Fit 0.000557 512 Fit -0.001952 513 Fit -0.004285 514 Fit -0.007543 515 Fit -0.005893 516 Fit -0.002179 517 Fit -0.000746 518 Fit -0.003519 519 Fit 0.000446 520 Fit 0.001529 521 Fit 0.004047 522 Fit 0.003069 523 Fit 0.001944 524 Fit 0.000199 525 Fit -0.001120 526 Fit 0.005447 527 Fit 0.006562 528 Fit 0.005974 529 Fit 0.003250 530 Fit -0.000707 531 Fit -0.001325 532 Fit 0.001483 533 Fit -0.000387 534 Fit -0.000247 535 Fit 0.003840 536 Fit 0.008275 537 Fit 0.000343 538 Fit 0.002415 539 Fit 0.009169 540 Fit 0.005935 541 Fit 0.001827 542 Fit 0.005586 543 Fit 0.009596 544 Fit 0.003846 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9811 Fit 0.024552 9812 Fit 0.032486 9813 Fit 0.030368 9814 Fit 0.028723 9815 Fit 0.027426 9816 Fit 0.026401 9817 Fit 0.025595 9818 Fit 0.024977 9819 Fit 0.024531 9820 Fit 0.024254 9821 Fit 0.024158 9822 Fit 0.024274 9823 Fit 0.024650 9824 Fit 0.032426 9825 Fit 0.030301 9826 Fit 0.028653 9827 Fit 0.027359 9828 Fit 0.026341 9829 Fit 0.025544 9830 Fit 0.024936 9831 Fit 0.024498 9832 Fit 0.024228 9833 Fit 0.024136 9834 Fit 0.024253 9835 Fit 0.024627 9836 Fit 0.025018 9837 Fit 0.024544 9838 Fit 0.024233 9839 Fit 0.024098 9840 Fit 0.024168 9841 Fit 0.024486 9842 Fit 0.025100 9843 Fit 0.024443 9844 Fit 0.024130 9845 Fit 0.024022 9846 Fit 0.024156 9847 Fit 0.024573 9848 Fit 0.024045 9849 Fit 0.023900 9850 Fit 0.024033 9851 Fit 0.024472 9852 Fit 0.023712 9853 Fit 0.023818 9854 Fit 0.024225 9855 Fit 0.025666 9856 Fit 0.023478 9857 Fit 0.023779 9858 Fit 0.023750 9859 Fit 0.023824 9860 Fit 0.023569 9861 Fit 0.023062 9862 Fit 0.023219 9863 Fit 0.023498 9864 Fit 0.022540 9865 Fit 0.022365 9866 Fit 0.021833 9867 Fit 0.022588 9868 Fit 0.022544 9869 Fit 0.021739 9870 Fit 0.021315 9871 Fit 0.020570 9872 Fit 0.020639 9873 Fit 0.019762 9874 Fit 0.020422 9875 Fit 0.023577 9876 Fit 0.021948 9877 Fit 0.020841 9878 Fit 0.019517 9879 Fit 0.018420 9880 Fit 0.025999 9881 Fit 0.024105 9882 Fit 0.022371 9883 Fit 0.021238 9884 Fit 0.019907 9885 Fit 0.018772 9886 Fit 0.026697 9887 Fit 0.024579 9888 Fit 0.022779 9889 Fit 0.021577 9890 Fit 0.020279 9891 Fit 0.019153 9892 Fit 0.018200 9893 Fit 0.027013 9894 Fit 0.024854 9895 Fit 0.023079 9896 Fit 0.021833 9897 Fit 0.020523 9898 Fit 0.019383 9899 Fit 0.018403 9900 Fit 0.017603 9901 Fit 0.027439 9902 Fit 0.025172 9903 Fit 0.023354 9904 Fit 0.021988 9905 Fit 0.020700 9906 Fit 0.019574 9907 Fit 0.018596 9908 Fit 0.017777 9909 Fit 0.027500 9910 Fit 0.025264 9911 Fit 0.023479 9912 Fit 0.022031 9913 Fit 0.020763 9914 Fit 0.019650 9915 Fit 0.018678 9916 Fit 0.017856 9917 Fit 0.027428 9918 Fit 0.025244 9919 Fit 0.023496 9920 Fit 0.021959 9921 Fit 0.020675 9922 Fit 0.019550 9923 Fit 0.018571 9924 Fit 0.017749 9925 Fit 0.027423 9926 Fit 0.025212 9927 Fit 0.023442 9928 Fit 0.021775 9929 Fit 0.020473 9930 Fit 0.019334 9931 Fit 0.018352 9932 Fit 0.017544 9933 Fit 0.027284 9934 Fit 0.025068 9935 Fit 0.023279 9936 Fit 0.021489 9937 Fit 0.020201 9938 Fit 0.019077 9939 Fit 0.018119 9940 Fit 0.026792 9941 Fit 0.024702 9942 Fit 0.022968 9943 Fit 0.021118 9944 Fit 0.019800 9945 Fit 0.018665 9946 Fit 0.017735 9947 Fit 0.026408 9948 Fit 0.024378 9949 Fit 0.022631 9950 Fit 0.020689 9951 Fit 0.019377 9952 Fit 0.018274 9953 Fit 0.025666 9954 Fit 0.023862 9955 Fit 0.022187 9956 Fit 0.020235 9957 Fit 0.018925 9958 Fit 0.024735 9959 Fit 0.023297 9960 Fit 0.021727 9961 Fit 0.012005 9962 Fit 0.012871 9963 Fit 0.011652 9964 Fit 0.010649 9965 Fit 0.010969 9966 Fit 0.012492 9967 Fit 0.013367 9968 Fit 0.013640 9969 Fit 0.012567 9970 Fit 0.011395 9971 Fit 0.010230 9972 Fit 0.009269 9973 Fit 0.008923 9974 Fit 0.009665 9975 Fit 0.011363 9976 Fit 0.013155 9977 Fit 0.014379 9978 Fit 0.014803 9979 Fit 0.014470 9980 Fit 0.014377 9981 Fit 0.013354 9982 Fit 0.012295 9983 Fit 0.011205 9984 Fit 0.010082 9985 Fit 0.008945 9986 Fit 0.007872 9987 Fit 0.007072 9988 Fit 0.006955 9989 Fit 0.007933 9990 Fit 0.009912 9991 Fit 0.012160 9992 Fit 0.014027 9993 Fit 0.015386 9994 Fit 0.016214 9995 Fit 0.016426 9996 Fit 0.016066 9997 Fit 0.015320 9998 Fit 0.015154 9999 Fit 0.014073 **** Fit 0.013011 **** Fit 0.011955 **** Fit 0.010881 **** Fit 0.009768 **** Fit 0.008600 **** Fit 0.007366 **** Fit 0.006082 **** Fit 0.004892 **** Fit 0.004209 **** Fit 0.016236 **** Fit 0.016056 **** Fit 0.014835 **** Fit 0.013685 **** Fit 0.012585 **** Fit 0.011503 **** Fit 0.010407 **** Fit 0.009274 **** Fit 0.008078 **** Fit 0.006774 **** Fit 0.005281 **** Fit 0.003529 **** Fit 0.014484 **** Fit 0.013300 **** Fit 0.012177 **** Fit 0.011077 **** Fit 0.009973 **** Fit 0.008844 **** Fit 0.007669 **** Fit 0.006396 **** Fit 0.004897 **** Fit 0.002922 **** Fit 0.013937 **** Fit 0.012674 **** Fit 0.011472 **** Fit 0.010295 **** Fit 0.009120 **** Fit 0.007937 **** Fit 0.006722 **** Fit 0.005391 **** Fit 0.003675 **** Fit 0.013333 **** Fit 0.012004 **** Fit 0.010733 **** Fit 0.009493 **** Fit 0.008270 **** Fit 0.007063 **** Fit 0.005850 **** Fit 0.004488 **** Fit 0.011109 **** Fit 0.009748 **** Fit 0.008420 **** Fit 0.007120 **** Fit 0.005839 **** Fit 0.004484 **** Fit 0.008064 **** Fit 0.006521 **** Fit 0.004904 **** Fit 0.007889 **** Fit 0.006319 **** Fit 0.004662 **** Fit 0.010965 **** Fit 0.009574 **** Fit 0.008202 **** Fit 0.006834 **** Fit 0.005438 **** Fit 0.003886 **** Fit 0.013226 **** Fit 0.011866 **** Fit 0.010562 **** Fit 0.009277 **** Fit 0.007988 **** Fit 0.006672 **** Fit 0.005279 **** Fit 0.003639 **** Fit 0.013829 **** Fit 0.012534 **** Fit 0.011298 **** Fit 0.010079 **** Fit 0.008845 **** Fit 0.007569 **** Fit 0.006208 **** Fit 0.004663 **** Fit 0.002686 **** Fit 0.014365 **** Fit 0.013151 **** Fit 0.011997 **** Fit 0.010861 **** Fit 0.009709 **** Fit 0.008509 **** Fit 0.007229 **** Fit 0.005812 **** Fit 0.004144 **** Fit 0.002051 **** Fit 0.014688 **** Fit 0.013512 **** Fit 0.012385 **** Fit 0.011269 **** Fit 0.010129 **** Fit 0.008932 **** Fit 0.007647 **** Fit 0.006233 **** Fit 0.004639 **** Fit 0.002861 **** Fit 0.014968 **** Fit 0.013870 **** Fit 0.012786 **** Fit 0.011701 **** Fit 0.010589 **** Fit 0.009422 **** Fit 0.008183 **** Fit 0.006871 **** Fit 0.005533 **** Fit 0.004350 **** Fit 0.003732 **** Fit 0.016060 **** Fit 0.014132 **** Fit 0.013096 **** Fit 0.012014 **** Fit 0.010889 **** Fit 0.009717 **** Fit 0.008521 **** Fit 0.007396 **** Fit 0.006575 **** Fit 0.006466 **** Fit 0.007451 **** Fit 0.009422 **** Fit 0.011677 **** Fit 0.013584 **** Fit 0.015006 **** Fit 0.015894 **** Fit 0.016149 **** Fit 0.015814 **** Fit 0.015077 **** Fit 0.013341 **** Fit 0.012254 **** Fit 0.011050 **** Fit 0.009835 **** Fit 0.008825 **** Fit 0.008450 **** Fit 0.009184 **** Fit 0.010888 **** Fit 0.012715 **** Fit 0.013997 **** Fit 0.014470 **** Fit 0.014165 **** Fit 0.012520 **** Fit 0.011278 **** Fit 0.010226 **** Fit 0.010521 **** Fit 0.012068 **** Fit 0.012994 **** Fit 0.011603 **** Fit 0.024831 **** Fit 0.025245 **** Fit 0.025533 **** Fit 0.024291 **** Fit 0.024472 **** Fit 0.025388 **** Fit 0.025988 **** Fit 0.026592 **** Fit 0.024418 **** Fit 0.024555 **** Fit 0.024895 **** Fit 0.025974 **** Fit 0.026766 **** Fit 0.024575 **** Fit 0.024635 **** Fit 0.024908 **** Fit 0.025357 **** Fit 0.026515 **** Fit 0.027461 **** Fit 0.024750 **** Fit 0.024729 **** Fit 0.024919 **** Fit 0.025282 **** Fit 0.025806 **** Fit 0.026951 **** Fit 0.028064 **** Fit 0.025018 **** Fit 0.024831 **** Fit 0.024891 **** Fit 0.025143 **** Fit 0.025560 **** Fit 0.026149 **** Fit 0.027237 **** Fit 0.028433 **** Fit 0.024994 **** Fit 0.024901 **** Fit 0.025022 **** Fit 0.025315 **** Fit 0.025765 **** Fit 0.026387 **** Fit 0.027341 **** Fit 0.028561 **** Fit 0.024984 **** Fit 0.024929 **** Fit 0.025074 **** Fit 0.025383 **** Fit 0.025844 **** Fit 0.026477 **** Fit 0.027251 **** Fit 0.028472 **** Fit 0.024987 **** Fit 0.024891 **** Fit 0.025011 **** Fit 0.025306 **** Fit 0.025760 **** Fit 0.026389 **** Fit 0.026976 **** Fit 0.028133 **** Fit 0.025007 **** Fit 0.024814 **** Fit 0.024871 **** Fit 0.025124 **** Fit 0.025548 **** Fit 0.026150 **** Fit 0.026544 **** Fit 0.027546 **** Fit 0.024728 **** Fit 0.024702 **** Fit 0.024893 **** Fit 0.025263 **** Fit 0.025804 **** Fit 0.025999 **** Fit 0.026853 **** Fit 0.024545 **** Fit 0.024601 **** Fit 0.024881 **** Fit 0.025348 **** Fit 0.025405 **** Fit 0.026061 **** Fit 0.024384 **** Fit 0.024522 **** Fit 0.024878 **** Fit 0.024836 **** Fit 0.025299 **** Fit 0.024448 **** Fit 0.031220 **** Fit 0.029264 **** Fit 0.027807 **** Fit 0.026748 **** Fit 0.031226 **** Fit 0.029322 **** Fit 0.027819 **** Fit 0.026651 **** Fit 0.025775 **** Fit 0.025161 **** Fit 0.024792 **** Fit 0.024660 **** Fit 0.030368 **** Fit 0.028758 **** Fit 0.027396 **** Fit 0.026276 **** Fit 0.025390 **** Fit 0.024725 **** Fit 0.024270 **** Fit 0.024019 **** Fit 0.023975 **** Fit 0.029563 **** Fit 0.028364 **** Fit 0.027213 **** Fit 0.026169 **** Fit 0.025273 **** Fit 0.024545 **** Fit 0.023990 **** Fit 0.023609 **** Fit 0.023404 **** Fit 0.023382 **** Fit 0.023565 **** Fit 0.027872 **** Fit 0.027305 **** Fit 0.026594 **** Fit 0.025815 **** Fit 0.025053 **** Fit 0.024366 **** Fit 0.023789 **** Fit 0.023339 **** Fit 0.023027 **** Fit 0.022861 **** Fit 0.022852 **** Fit 0.023017 **** Fit 0.023372 **** Fit 0.025619 **** Fit 0.025652 **** Fit 0.025427 **** Fit 0.024997 **** Fit 0.024453 **** Fit 0.023886 **** Fit 0.023363 **** Fit 0.022927 **** Fit 0.022601 **** Fit 0.022402 **** Fit 0.022344 **** Fit 0.022434 **** Fit 0.022668 **** Fit 0.022057 **** Fit 0.023062 **** Fit 0.023694 **** Fit 0.023973 **** Fit 0.023955 **** Fit 0.023708 **** Fit 0.023327 **** Fit 0.022906 **** Fit 0.022513 **** Fit 0.022194 **** Fit 0.021976 **** Fit 0.021873 **** Fit 0.021881 **** Fit 0.021968 **** Fit 0.021227 **** Fit 0.020998 **** Fit 0.020531 **** Fit 0.019844 **** Fit 0.019240 **** Fit 0.019213 **** Fit 0.019944 **** Fit 0.021028 **** Fit 0.021966 **** Fit 0.022561 **** Fit 0.022803 **** Fit 0.022749 **** Fit 0.022501 **** Fit 0.022173 **** Fit 0.021854 **** Fit 0.021600 **** Fit 0.021432 **** Fit 0.021331 **** Fit 0.020762 **** Fit 0.020395 **** Fit 0.019930 **** Fit 0.019718 **** Fit 0.020139 **** Fit 0.020957 **** Fit 0.021632 **** Fit 0.021915 **** Fit 0.021841 **** Fit 0.021577 **** Fit 0.021279 **** Fit 0.021020 **** Fit 0.020591 **** Fit 0.020232 **** Fit 0.020396 **** Fit 0.021020 **** Fit 0.021227 **** Fit 0.020975 **** Fit 0.020679 **** Fit 0.021345 **** Fit 0.021148 **** Fit 0.020859 **** Fit 0.021159 **** Fit 0.021814 **** Fit 0.021905 **** Fit 0.021551 **** Fit 0.021233 **** Fit 0.020895 **** Fit 0.020495 **** Fit 0.020411 **** Fit 0.021004 **** Fit 0.021929 **** Fit 0.022569 **** Fit 0.022719 **** Fit 0.022506 **** Fit 0.022138 **** Fit 0.021777 **** Fit 0.021490 **** Fit 0.021639 **** Fit 0.021424 **** Fit 0.020976 **** Fit 0.020325 **** Fit 0.019810 **** Fit 0.019958 **** Fit 0.020914 **** Fit 0.022169 **** Fit 0.023141 **** Fit 0.023640 **** Fit 0.023718 **** Fit 0.023501 **** Fit 0.023125 **** Fit 0.022705 **** Fit 0.022323 **** Fit 0.022029 **** Fit 0.021840 **** Fit 0.021736 **** Fit 0.024472 **** Fit 0.024987 **** Fit 0.025066 **** Fit 0.024839 **** Fit 0.024422 **** Fit 0.023918 **** Fit 0.023411 **** Fit 0.022957 **** Fit 0.022595 **** Fit 0.022348 **** Fit 0.022231 **** Fit 0.022238 **** Fit 0.022336 **** Fit 0.027013 **** Fit 0.026773 **** Fit 0.026297 **** Fit 0.025679 **** Fit 0.025010 **** Fit 0.024361 **** Fit 0.023780 **** Fit 0.023301 **** Fit 0.022944 **** Fit 0.022724 **** Fit 0.022656 **** Fit 0.022749 **** Fit 0.023002 **** Fit 0.028923 **** Fit 0.028080 **** Fit 0.027183 **** Fit 0.026293 **** Fit 0.025464 **** Fit 0.024732 **** Fit 0.024122 **** Fit 0.023645 **** Fit 0.023312 **** Fit 0.023131 **** Fit 0.023117 **** Fit 0.023289 **** Fit 0.030137 **** Fit 0.028783 **** Fit 0.027556 **** Fit 0.026474 **** Fit 0.025556 **** Fit 0.024809 **** Fit 0.024237 **** Fit 0.023840 **** Fit 0.023622 **** Fit 0.023596 **** Fit 0.023785 **** Fit 0.030595 **** Fit 0.028954 **** Fit 0.027587 **** Fit 0.026466 **** Fit 0.025575 **** Fit 0.024902 **** Fit 0.024437 **** Fit 0.024177 **** Fit 0.024129 **** Fit 0.031279 **** Fit 0.029394 **** Fit 0.027908 **** Fit 0.026747 **** Fit 0.025872 **** Fit 0.025255 **** Fit 0.024880 **** Fit 0.024744 **** Fit 0.033783 **** Fit 0.031167 **** Fit 0.029240 **** Fit 0.027799 **** Fit 0.026747 **** Fit 0.026029 ----------------------------------------------------------------- Leave Link 602 at Fri May 3 20:01:45 2024, MaxMem= 2147483648 cpu: 6.3 elap: 0.5 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.023505858 -0.022860077 0.027423827 2 6 0.003178867 0.002211717 0.000856481 3 8 0.033400991 0.005956931 0.001019912 4 7 -0.041443045 0.011814662 -0.008865772 5 8 0.049413828 -0.001587749 0.005103104 6 6 -0.118966193 0.002439115 -0.011767733 7 6 -0.056386255 -0.026137895 0.005050737 8 7 0.008167765 -0.000120645 0.000818062 9 6 0.008985975 0.038281514 -0.013018557 10 7 -0.004565135 -0.038108486 -0.003488253 11 6 0.050981149 0.017936132 -0.004375240 12 7 -0.001203257 -0.022200072 0.007569996 13 6 -0.010848692 -0.003317829 0.000459577 14 7 0.099381769 -0.001353613 0.009920792 15 1 -0.014676944 -0.002205345 -0.000512675 16 1 -0.007306711 0.006323032 0.001104712 17 1 -0.000171658 -0.011067371 0.000630612 18 6 0.019748586 0.047346242 -0.014720019 19 35 0.003211160 0.021409679 -0.004408465 20 1 -0.001341218 0.002024345 -0.000827818 21 1 0.009914552 0.003468132 -0.004723799 22 1 -0.032461320 0.024491701 -0.010905722 23 7 -0.035652987 -0.040102613 0.010497446 24 1 0.014235305 -0.009651072 0.005423531 25 6 -0.018893756 0.013266161 -0.007150972 26 6 0.011822084 -0.018388088 0.008131446 27 1 -0.012373428 -0.008776222 0.001652486 28 1 0.008146527 0.000920301 -0.009305184 29 1 0.006407708 0.007320946 0.008102842 30 1 -0.008283874 -0.014082906 0.004204308 31 1 0.006273056 0.009449853 0.004732014 32 1 0.007799290 0.005299522 -0.008631674 ------------------------------------------------------------------- Cartesian Forces: Max 0.118966193 RMS 0.023657167 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.057385778 RMS 0.014500208 Search for a local minimum. Step number 1 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Second derivative matrix not updated -- first step. ITU= 0 Eigenvalues --- 0.00303 0.01264 0.01268 0.01294 0.01337 Eigenvalues --- 0.01410 0.01632 0.01635 0.01753 0.01801 Eigenvalues --- 0.01838 0.01913 0.02036 0.02041 0.02170 Eigenvalues --- 0.02255 0.02338 0.02421 0.02525 0.02647 Eigenvalues --- 0.03406 0.05517 0.05773 0.05780 0.05821 Eigenvalues --- 0.07619 0.07660 0.07685 0.07964 0.07966 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 0.16956 0.18047 0.19871 Eigenvalues --- 0.22000 0.23517 0.24999 0.25000 0.25000 Eigenvalues --- 0.25000 0.25000 0.25000 0.25000 0.25000 Eigenvalues --- 0.25000 0.25000 0.25000 0.28968 0.33654 Eigenvalues --- 0.33718 0.33737 0.33745 0.33756 0.33768 Eigenvalues --- 0.33772 0.33779 0.33822 0.33841 0.37852 Eigenvalues --- 0.38457 0.39908 0.40656 0.40700 0.40975 Eigenvalues --- 0.41130 0.41449 0.43274 0.46003 0.46393 Eigenvalues --- 0.47012 0.48649 0.49696 0.51304 0.56171 Eigenvalues --- 0.58621 0.68951 0.69923 0.76126 0.88733 RFO step: Lambda=-7.78532795D-02 EMin= 3.03171450D-03 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.685 Iteration 1 RMS(Cart)= 0.06199331 RMS(Int)= 0.00115173 Iteration 2 RMS(Cart)= 0.00204703 RMS(Int)= 0.00024325 Iteration 3 RMS(Cart)= 0.00000191 RMS(Int)= 0.00024324 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00024324 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90070 -0.00125 0.00000 -0.00233 -0.00233 2.89837 R2 2.69631 -0.02750 0.00000 -0.03828 -0.03828 2.65803 R3 2.70672 0.01292 0.00000 0.01828 0.01828 2.72500 R4 2.07704 -0.01238 0.00000 -0.02042 -0.02042 2.05662 R5 2.07743 -0.00891 0.00000 -0.01469 -0.01469 2.06274 R6 2.07724 -0.01055 0.00000 -0.01741 -0.01741 2.05983 R7 2.07631 -0.01146 0.00000 -0.01887 -0.01887 2.05744 R8 1.86874 -0.04197 0.00000 -0.05005 -0.05005 1.81868 R9 2.63691 -0.02766 0.00000 -0.03499 -0.03499 2.60191 R10 2.40075 0.00166 0.00000 0.00136 0.00136 2.40210 R11 2.33523 -0.04806 0.00000 -0.03413 -0.03413 2.30109 R12 2.68743 0.01201 0.00000 0.02078 0.02097 2.70840 R13 2.52170 0.04149 0.00000 0.04247 0.04266 2.56436 R14 2.66514 -0.03378 0.00000 -0.04377 -0.04389 2.62124 R15 2.46608 0.05384 0.00000 0.05752 0.05725 2.52333 R16 2.42749 -0.01279 0.00000 -0.01467 -0.01449 2.41300 R17 2.66859 -0.00902 0.00000 -0.01637 -0.01615 2.65244 R18 3.59841 -0.02159 0.00000 -0.05728 -0.05728 3.54113 R19 2.55785 -0.00222 0.00000 0.00002 -0.00002 2.55783 R20 2.62317 -0.02251 0.00000 -0.02728 -0.02747 2.59570 R21 2.42539 -0.00319 0.00000 -0.00537 -0.00556 2.41983 R22 2.72158 -0.04787 0.00000 -0.07428 -0.07428 2.64730 R23 1.87954 0.00239 0.00000 0.00290 0.00290 1.88244 R24 2.63007 -0.05739 0.00000 -0.07178 -0.07178 2.55829 R25 2.00405 0.01391 0.00000 0.02061 0.02061 2.02466 R26 2.70613 0.01781 0.00000 0.02518 0.02518 2.73130 R27 2.70249 0.02254 0.00000 0.03168 0.03168 2.73417 R28 2.07809 -0.01526 0.00000 -0.02519 -0.02519 2.05289 R29 2.07716 -0.01058 0.00000 -0.01745 -0.01745 2.05971 R30 2.07776 -0.01097 0.00000 -0.01810 -0.01810 2.05966 R31 2.07918 -0.01673 0.00000 -0.02767 -0.02767 2.05151 R32 2.07599 -0.00835 0.00000 -0.01375 -0.01375 2.06224 R33 2.07762 -0.00915 0.00000 -0.01510 -0.01510 2.06252 A1 1.89312 0.00816 0.00000 0.03147 0.03161 1.92473 A2 1.89352 0.01205 0.00000 0.03667 0.03679 1.93032 A3 1.89618 -0.00042 0.00000 0.00832 0.00874 1.90492 A4 1.92832 -0.01049 0.00000 -0.02637 -0.02757 1.90075 A5 1.93638 -0.00191 0.00000 -0.01562 -0.01662 1.91976 A6 1.91539 -0.00668 0.00000 -0.03180 -0.03245 1.88294 A7 1.90933 0.00467 0.00000 0.01332 0.01327 1.92261 A8 1.90863 0.00387 0.00000 0.01137 0.01132 1.91995 A9 1.91014 -0.00022 0.00000 -0.00070 -0.00071 1.90944 A10 1.91200 -0.00419 0.00000 -0.01195 -0.01204 1.89996 A11 1.91147 -0.00246 0.00000 -0.00753 -0.00753 1.90395 A12 1.91221 -0.00165 0.00000 -0.00444 -0.00444 1.90777 A13 1.90942 -0.00610 0.00000 -0.01757 -0.01757 1.89185 A14 2.11495 -0.02218 0.00000 -0.04638 -0.04638 2.06857 A15 2.12141 0.03144 0.00000 0.06196 0.06176 2.18317 A16 2.12301 0.00190 0.00000 0.00018 -0.00002 2.12299 A17 2.03877 -0.03334 0.00000 -0.06214 -0.06174 1.97702 A18 2.25199 0.01007 0.00000 0.00703 0.00710 2.25909 A19 2.10235 -0.00796 0.00000 -0.00769 -0.00736 2.09499 A20 1.92884 -0.00211 0.00000 0.00066 0.00026 1.92910 A21 1.84529 -0.00790 0.00000 -0.02300 -0.02289 1.82240 A22 1.91570 0.03316 0.00000 0.05835 0.05864 1.97433 A23 2.17217 -0.02349 0.00000 -0.04365 -0.04388 2.12829 A24 2.19531 -0.00968 0.00000 -0.01479 -0.01503 2.18028 A25 2.22412 0.02918 0.00000 0.06032 0.06024 2.28436 A26 2.20078 -0.00806 0.00000 -0.01754 -0.01762 2.18315 A27 1.85827 -0.02112 0.00000 -0.04280 -0.04264 1.81564 A28 1.87666 -0.00203 0.00000 0.00679 0.00664 1.88330 A29 2.14452 0.01520 0.00000 0.03351 0.03343 2.17795 A30 2.26200 -0.01317 0.00000 -0.04030 -0.04007 2.22194 A31 2.06488 -0.01708 0.00000 -0.04165 -0.04227 2.02261 A32 2.09604 0.02243 0.00000 0.05253 0.05264 2.14868 A33 2.07302 -0.04169 0.00000 -0.08154 -0.08143 1.99159 A34 2.11413 0.01926 0.00000 0.02901 0.02879 2.14292 A35 2.10173 0.02392 0.00000 0.04896 0.04915 2.15088 A36 2.09057 -0.01284 0.00000 -0.02702 -0.02712 2.06345 A37 2.09088 -0.01108 0.00000 -0.02193 -0.02203 2.06885 A38 2.08360 0.00995 0.00000 0.02289 0.02289 2.10649 A39 2.10269 0.00653 0.00000 0.02171 0.02171 2.12440 A40 2.09689 -0.01648 0.00000 -0.04460 -0.04460 2.05230 A41 2.08927 -0.00621 0.00000 -0.01298 -0.01298 2.07629 A42 2.09671 -0.00663 0.00000 -0.01385 -0.01385 2.08286 A43 2.09720 0.01283 0.00000 0.02683 0.02683 2.12403 A44 1.92834 -0.00463 0.00000 -0.01545 -0.01536 1.91298 A45 1.90060 0.00877 0.00000 0.02638 0.02617 1.92677 A46 1.90224 0.00833 0.00000 0.02491 0.02469 1.92693 A47 1.92597 -0.00386 0.00000 -0.01302 -0.01293 1.91304 A48 1.92793 -0.00395 0.00000 -0.01365 -0.01356 1.91437 A49 1.87774 -0.00430 0.00000 -0.00790 -0.00842 1.86932 A50 1.92640 -0.00255 0.00000 -0.01049 -0.01041 1.91600 A51 1.90246 0.01087 0.00000 0.03295 0.03253 1.93500 A52 1.90277 0.01044 0.00000 0.03147 0.03105 1.93382 A53 1.92526 -0.00683 0.00000 -0.02254 -0.02246 1.90280 A54 1.92765 -0.00700 0.00000 -0.02349 -0.02341 1.90425 A55 1.87839 -0.00454 0.00000 -0.00642 -0.00731 1.87108 D1 1.04812 0.00105 0.00000 -0.00072 -0.00103 1.04710 D2 -3.14101 0.00113 0.00000 -0.00030 -0.00057 -3.14158 D3 -1.04621 0.00134 0.00000 0.00078 0.00050 -1.04571 D4 -3.13983 0.00013 0.00000 0.00704 0.00725 -3.13258 D5 -1.04578 0.00021 0.00000 0.00745 0.00771 -1.03807 D6 1.04903 0.00043 0.00000 0.00854 0.00878 1.05780 D7 -1.05838 -0.00122 0.00000 -0.00533 -0.00531 -1.06368 D8 1.03567 -0.00113 0.00000 -0.00491 -0.00485 1.03082 D9 3.13048 -0.00092 0.00000 -0.00383 -0.00378 3.12670 D10 -1.04588 0.00332 0.00000 0.00908 0.00890 -1.03697 D11 -3.11928 -0.01017 0.00000 -0.03931 -0.03886 3.12505 D12 1.03554 0.00677 0.00000 0.02965 0.02938 1.06492 D13 -1.50033 0.00067 0.00000 0.01532 0.01540 -1.48493 D14 1.63566 -0.00008 0.00000 0.01022 0.01020 1.64587 D15 0.57282 0.01180 0.00000 0.06055 0.06001 0.63283 D16 -2.57437 0.01106 0.00000 0.05545 0.05481 -2.51956 D17 2.71351 -0.00209 0.00000 0.00192 0.00253 2.71604 D18 -0.43368 -0.00284 0.00000 -0.00318 -0.00267 -0.43635 D19 -0.03026 -0.00001 0.00000 0.00002 0.00002 -0.03023 D20 3.10986 0.00016 0.00000 0.00105 0.00105 3.11091 D21 -3.14093 -0.00036 0.00000 -0.00235 -0.00238 3.13988 D22 -0.00270 -0.00006 0.00000 -0.00023 -0.00020 -0.00290 D23 -0.00309 -0.00012 0.00000 -0.00083 -0.00080 -0.00390 D24 -3.14109 0.00001 0.00000 0.00002 -0.00000 -3.14109 D25 3.13811 -0.00008 0.00000 -0.00044 -0.00041 3.13770 D26 0.00010 0.00005 0.00000 0.00041 0.00039 0.00050 D27 3.13893 0.00000 0.00000 0.00002 0.00002 3.13895 D28 0.00037 -0.00003 0.00000 -0.00019 -0.00019 0.00018 D29 -0.00227 -0.00005 0.00000 -0.00038 -0.00038 -0.00264 D30 -3.14083 -0.00008 0.00000 -0.00059 -0.00058 -3.14141 D31 -3.13953 0.00008 0.00000 0.00016 0.00018 -3.13935 D32 -0.00125 -0.00005 0.00000 -0.00064 -0.00058 -0.00182 D33 -3.14057 -0.00011 0.00000 -0.00060 -0.00062 -3.14119 D34 0.00158 0.00002 0.00000 0.00004 0.00004 0.00161 D35 0.00400 -0.00003 0.00000 0.00009 0.00003 0.00403 D36 -3.13704 0.00010 0.00000 0.00073 0.00068 -3.13636 D37 -0.00195 0.00009 0.00000 0.00089 0.00089 -0.00107 D38 3.13535 -0.00281 0.00000 -0.01946 -0.01925 3.11610 D39 3.14126 -0.00074 0.00000 -0.00521 -0.00532 3.13593 D40 0.00438 -0.00012 0.00000 -0.00091 -0.00093 0.00345 D41 0.00402 0.00224 0.00000 0.01555 0.01560 0.01962 D42 -3.13286 0.00287 0.00000 0.01985 0.01999 -3.11286 D43 3.14122 0.00067 0.00000 0.00458 0.00443 -3.13753 D44 -0.00098 0.00055 0.00000 0.00391 0.00379 0.00282 D45 -0.00500 0.00019 0.00000 0.00062 0.00065 -0.00435 D46 3.13598 0.00006 0.00000 -0.00004 0.00001 3.13600 D47 -0.00092 -0.00013 0.00000 -0.00059 -0.00057 -0.00149 D48 3.14136 0.00002 0.00000 0.00018 0.00019 3.14155 D49 3.13875 0.00023 0.00000 0.00157 0.00161 3.14037 D50 -0.00133 0.00011 0.00000 0.00060 0.00059 -0.00074 D51 -3.13711 -0.00015 0.00000 -0.00110 -0.00108 -3.13819 D52 0.00145 -0.00012 0.00000 -0.00090 -0.00088 0.00057 D53 0.00300 0.00002 0.00000 -0.00004 -0.00004 0.00295 D54 3.14155 0.00005 0.00000 0.00017 0.00016 -3.14147 D55 -0.01215 0.00036 0.00000 0.00248 0.00246 -0.00969 D56 3.12846 0.00040 0.00000 0.00275 0.00273 3.13119 D57 3.13280 0.00002 0.00000 0.00023 0.00024 3.13304 D58 -0.00978 0.00006 0.00000 0.00050 0.00051 -0.00927 D59 -3.13451 0.00016 0.00000 0.00080 0.00080 -3.13370 D60 1.03073 0.00218 0.00000 0.00960 0.00985 1.04057 D61 -1.01305 -0.00226 0.00000 -0.00974 -0.00998 -1.02303 D62 0.00808 0.00013 0.00000 0.00055 0.00055 0.00863 D63 -2.10988 0.00215 0.00000 0.00935 0.00960 -2.10028 D64 2.12953 -0.00229 0.00000 -0.00999 -0.01023 2.11930 D65 -3.11953 0.00019 0.00000 0.00097 0.00097 -3.11856 D66 1.04660 0.00325 0.00000 0.01426 0.01465 1.06124 D67 -0.99931 -0.00334 0.00000 -0.01443 -0.01481 -1.01412 D68 0.02107 0.00023 0.00000 0.00122 0.00122 0.02229 D69 -2.09599 0.00328 0.00000 0.01451 0.01490 -2.08109 D70 2.14129 -0.00331 0.00000 -0.01418 -0.01456 2.12673 Item Value Threshold Converged? Maximum Force 0.057386 0.000450 NO RMS Force 0.014500 0.000300 NO Maximum Displacement 0.218941 0.001800 NO RMS Displacement 0.062669 0.001200 NO Predicted change in Energy=-3.903265D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.092613 -4.921223 2.023800 2 6 0 7.331859 -4.809016 3.534616 3 8 0 6.927299 -6.268514 1.655135 4 7 0 7.703025 0.038732 0.335927 5 8 0 3.214009 -0.849013 0.194459 6 6 0 4.332772 -1.256373 0.449777 7 6 0 4.639845 -2.566612 0.942843 8 7 0 3.786637 -3.620726 1.234275 9 6 0 4.559577 -4.552262 1.640834 10 7 0 5.914018 -4.184003 1.640648 11 6 0 5.906940 -2.907645 1.190154 12 7 0 6.990125 -2.082529 1.009517 13 6 0 6.731170 -0.908261 0.569333 14 7 0 5.429900 -0.475282 0.283476 15 1 0 7.941707 -4.492261 1.495162 16 1 0 8.230303 -5.361765 3.815255 17 1 0 7.459315 -3.763510 3.815345 18 6 0 8.911564 -0.254133 0.599474 19 35 0 3.899071 -6.211197 2.209265 20 1 0 5.300859 0.452102 -0.056540 21 1 0 6.477816 -5.223368 4.067811 22 1 0 7.723423 -6.750401 1.900486 23 7 0 9.902521 0.642974 0.385127 24 1 0 9.185543 -1.210497 0.997232 25 6 0 9.567609 1.938668 -0.160794 26 6 0 11.266352 0.283354 0.707693 27 1 0 10.471523 2.529878 -0.277206 28 1 0 8.871932 2.459680 0.496909 29 1 0 9.074255 1.828213 -1.126371 30 1 0 11.926175 1.119517 0.497886 31 1 0 11.589307 -0.579904 0.123398 32 1 0 11.356935 0.012380 1.761073 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.533752 0.000000 3 O 1.406569 2.413763 0.000000 4 N 5.274720 5.819797 6.490255 0.000000 5 O 5.913793 6.617776 6.730014 4.578140 0.000000 6 C 4.850298 5.579608 5.771136 3.612322 1.217686 7 C 3.567735 4.358050 4.409522 4.066846 2.354407 8 N 3.639247 4.390011 4.129366 5.434773 3.015214 9 C 2.588255 3.367177 2.924351 5.715004 4.197215 10 N 1.442007 2.447045 2.317786 4.768054 4.528098 11 C 2.480983 3.337979 3.542990 3.554823 3.532882 12 N 3.016199 3.731841 4.235946 2.337028 4.055235 13 C 4.283687 4.936560 5.472636 1.376872 3.537578 14 N 5.055663 5.741830 6.138826 2.331107 2.248949 15 H 1.088314 2.152120 2.051753 4.683022 6.108700 16 H 2.167424 1.091555 2.680696 6.445860 7.657565 17 H 2.164349 1.090017 3.350312 5.159728 6.295057 18 C 5.207592 5.644243 6.420631 1.271139 5.742826 19 Br 3.449223 3.937855 3.079043 7.552554 5.769036 20 H 6.034138 6.685861 7.123330 2.468868 2.472012 21 H 2.155748 1.088749 2.667465 6.566414 6.692554 22 H 1.938820 2.567622 0.962407 6.967108 7.620481 23 N 6.445240 6.800866 7.631090 2.281515 6.855550 24 H 4.382201 4.777427 5.578176 2.048355 6.036086 25 C 7.612894 8.011608 8.810600 2.707981 6.947344 26 C 6.799989 7.028795 7.915301 3.591009 8.147753 27 H 8.498857 8.845725 9.680246 3.774430 8.019406 28 H 7.744359 8.027043 9.016898 2.693186 6.561327 29 H 7.707487 8.295393 8.826278 2.687160 6.576823 30 H 7.885574 8.091784 8.995053 4.362262 8.936947 31 H 6.532904 6.902729 7.512711 3.940947 8.379921 32 H 6.526400 6.526296 7.686515 3.922090 8.336877 6 7 8 9 10 6 C 0.000000 7 C 1.433225 0.000000 8 N 2.550267 1.387102 0.000000 9 C 3.511829 2.106286 1.276905 0.000000 10 N 3.534053 2.174029 2.237894 1.403611 0.000000 11 C 2.398513 1.335289 2.237435 2.173307 1.353545 12 N 2.838551 2.400541 3.560744 3.522173 2.443875 13 C 2.426477 2.695047 4.058311 4.375234 3.542025 14 N 1.357001 2.330797 3.673983 4.384250 3.978806 15 H 4.958650 3.862056 4.253498 3.385797 2.056141 16 H 6.585699 5.380987 5.425757 4.342537 3.388394 17 H 5.233360 4.199196 4.491200 3.709328 2.700753 18 C 4.689588 4.869605 6.164560 6.204686 5.051060 19 Br 5.275810 3.928813 2.770160 1.873885 2.914249 20 H 2.027915 3.247821 4.532880 5.336126 4.974926 21 H 5.781733 4.494655 4.223723 3.165477 2.699865 22 H 6.617055 5.284849 5.073164 3.861238 3.150851 23 N 5.885050 6.189366 7.503614 7.557402 6.386251 24 H 4.883769 4.743984 5.917228 5.742925 4.467506 25 C 6.163165 6.767453 8.140805 8.393951 7.353980 26 C 7.107166 7.217215 8.453713 8.320743 7.033859 27 H 7.249032 7.840357 9.208811 9.422669 8.338179 28 H 5.866451 6.585820 7.960858 8.310975 7.361788 29 H 5.872017 6.577243 7.951257 8.291574 7.334183 30 H 7.956566 8.177784 9.447976 9.367079 8.098103 31 H 7.295302 7.274168 8.447621 8.215798 6.892060 32 H 7.257279 7.241547 8.413464 8.188680 6.873826 11 12 13 14 15 11 C 0.000000 12 N 1.373585 0.000000 13 C 2.249958 1.280518 0.000000 14 N 2.639323 2.354715 1.400888 0.000000 15 H 2.596982 2.635937 3.894562 4.890141 0.000000 16 H 4.279237 4.490389 5.711139 6.647814 2.494425 17 H 3.167649 3.304316 4.383975 5.234985 2.479321 18 C 4.051888 2.683858 2.276601 3.502963 4.438987 19 Br 3.997947 5.295272 6.231476 6.241220 4.450572 20 H 3.634486 3.227144 2.070772 0.996145 5.816235 21 H 3.737564 4.413671 5.560907 6.161465 3.048937 22 H 4.309403 4.808387 6.073478 6.874016 2.304590 23 N 5.405519 4.037361 3.535213 4.611417 5.607816 24 H 3.696860 2.362298 2.509660 3.892922 3.544720 25 C 6.221922 4.917629 4.084541 4.810942 6.836855 26 C 6.256080 4.896388 4.691158 5.900818 5.871956 27 H 7.249498 5.920312 5.150502 5.896042 7.671486 28 H 6.170895 4.943241 3.991383 4.528481 7.084582 29 H 6.150327 4.919301 3.981677 4.535976 6.935668 30 H 7.275195 5.905883 5.577192 6.692604 6.954322 31 H 6.232627 4.918899 4.889598 6.162374 5.522070 32 H 6.209262 4.901276 4.864723 6.127875 5.659176 16 17 18 19 20 16 H 0.000000 17 H 1.774497 0.000000 18 C 6.073983 4.976603 0.000000 19 Br 4.696840 4.609339 7.950039 0.000000 20 H 7.574529 6.117338 3.737154 7.176241 0.000000 21 H 1.775992 1.777151 6.530374 3.328652 7.113823 22 H 2.419003 3.557802 6.730959 3.874500 7.846963 23 N 7.114701 6.095306 1.353788 9.292392 4.626748 24 H 5.107521 4.176063 1.071404 7.377182 4.354933 25 C 8.419838 7.264256 2.411800 10.206360 4.519502 26 C 7.123335 6.366171 2.417774 9.935327 6.016613 27 H 9.167842 8.088826 3.309495 11.215438 5.576882 28 H 8.520452 7.192746 2.716040 10.141282 4.133913 29 H 8.765141 7.635179 2.709460 10.126258 4.156529 30 H 8.165257 7.402859 3.314380 11.004662 6.681890 31 H 6.912229 6.389261 2.739175 9.757152 6.375107 32 H 6.548047 5.802483 2.720327 9.723863 6.338228 21 22 23 24 25 21 H 0.000000 22 H 2.929277 0.000000 23 N 7.726884 7.855366 0.000000 24 H 5.732659 5.800363 2.079443 0.000000 25 C 8.872580 9.118652 1.445344 3.377015 0.000000 26 C 8.033956 7.965476 1.446862 2.577826 2.525878 27 H 9.743803 9.920584 2.079148 4.155519 1.086343 28 H 8.804110 9.386943 2.091658 3.717374 1.089951 29 H 9.134869 9.196697 2.091756 3.708885 1.089926 30 H 9.091819 9.031391 2.082062 3.631718 2.582190 31 H 7.952829 7.495208 2.099804 2.634257 3.242102 32 H 7.519301 7.678349 2.099094 2.606496 3.256662 26 27 28 29 30 26 C 0.000000 27 H 2.578498 0.000000 28 H 3.242541 1.778447 0.000000 29 H 3.248949 1.779262 1.753490 0.000000 30 H 1.085612 2.169309 3.335333 3.357665 0.000000 31 H 1.091290 3.328764 4.094228 3.699518 1.772499 32 H 1.091441 3.358026 3.709802 4.104292 1.773536 31 32 31 H 0.000000 32 H 1.756923 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.242735 -1.958746 -0.147861 2 6 0 -1.347237 -2.560665 1.258968 3 8 0 -2.312779 -2.399435 -0.947383 4 7 0 3.366029 0.603717 -0.022378 5 8 0 0.088559 3.797279 0.114413 6 6 0 0.364971 2.612627 0.060044 7 6 0 -0.590193 1.545268 0.009647 8 7 0 -1.976119 1.602124 0.014826 9 6 0 -2.344596 0.380830 -0.041324 10 7 0 -1.267694 -0.518261 -0.086502 11 6 0 -0.173738 0.277884 -0.047802 12 7 0 1.142494 -0.114633 -0.061941 13 6 0 2.007621 0.828388 -0.017303 14 7 0 1.651710 2.182027 0.041674 15 1 0 -0.296532 -2.257894 -0.594670 16 1 0 -1.318471 -3.650500 1.204899 17 1 0 -0.516183 -2.216367 1.874553 18 6 0 3.782536 -0.597118 -0.040029 19 35 0 -4.152613 -0.111184 -0.020331 20 1 0 2.377214 2.863857 0.074163 21 1 0 -2.285884 -2.251501 1.715841 22 1 0 -2.280365 -3.360088 -0.995555 23 7 0 5.108830 -0.868465 -0.047723 24 1 0 3.106056 -1.427909 -0.048264 25 6 0 6.048001 0.230160 -0.047793 26 6 0 5.550536 -2.246237 -0.054739 27 1 0 7.062649 -0.157672 -0.062501 28 1 0 5.906471 0.850929 0.836860 29 1 0 5.886246 0.868320 -0.916427 30 1 0 6.635333 -2.284323 -0.036868 31 1 0 5.191024 -2.765175 -0.944890 32 1 0 5.159919 -2.782892 0.811668 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5770497 0.1434300 0.1173649 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1835.2905155864 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.06D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999998 -0.002142 0.000242 0.000118 Ang= -0.25 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.55782834 A.U. after 14 cycles NFock= 14 Conv=0.38D-08 -V/T= 2.0038 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 0.012197230 -0.014686013 0.015712104 2 6 -0.001837648 0.001835496 -0.002641848 3 8 0.014007840 0.005306907 -0.000238699 4 7 -0.022032863 0.005252665 -0.004562870 5 8 0.028925723 -0.002819290 0.003914546 6 6 -0.068143309 0.000370423 -0.007092395 7 6 -0.022279884 -0.010275132 0.001938341 8 7 0.011202502 0.000058696 0.000743889 9 6 0.005340439 0.010457951 -0.001734745 10 7 -0.015494708 -0.014710121 -0.003985250 11 6 0.026456798 0.020007340 -0.006301179 12 7 -0.000124692 -0.019516634 0.006919806 13 6 -0.015886792 0.010744694 -0.005431520 14 7 0.055068740 -0.004833927 0.007359810 15 1 -0.007771817 0.001704700 -0.000649119 16 1 -0.003031109 0.002425809 -0.000172822 17 1 0.000149544 -0.004607575 0.000032280 18 6 0.018404758 0.021533612 -0.005739142 19 35 0.003162710 0.004926399 0.000012201 20 1 0.000254468 0.001036198 -0.000330281 21 1 0.003735704 0.001206261 -0.001374004 22 1 -0.014017937 0.007814305 -0.004132647 23 7 -0.015569452 -0.020785845 0.005907526 24 1 0.005829658 -0.003263565 0.002135091 25 6 -0.007341294 0.007419276 -0.003586403 26 6 0.004546190 -0.008723283 0.003563965 27 1 -0.004083190 -0.003006249 0.000532936 28 1 0.004508812 -0.000960783 -0.002676234 29 1 0.003883088 0.001411461 0.003589180 30 1 -0.002845229 -0.004530266 0.001445791 31 1 0.001124021 0.005227897 0.000493449 32 1 0.001661699 0.003978594 -0.003651756 ------------------------------------------------------------------- Cartesian Forces: Max 0.068143309 RMS 0.012823753 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.028339761 RMS 0.006561211 Search for a local minimum. Step number 2 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -3.75D-02 DEPred=-3.90D-02 R= 9.61D-01 TightC=F SS= 1.41D+00 RLast= 3.19D-01 DXNew= 5.0454D-01 9.5815D-01 Trust test= 9.61D-01 RLast= 3.19D-01 DXMaxT set to 5.05D-01 ITU= 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00303 0.01268 0.01269 0.01294 0.01337 Eigenvalues --- 0.01406 0.01614 0.01638 0.01753 0.01801 Eigenvalues --- 0.01855 0.01914 0.02031 0.02047 0.02163 Eigenvalues --- 0.02251 0.02365 0.02435 0.02539 0.02659 Eigenvalues --- 0.03406 0.05289 0.05507 0.05662 0.05722 Eigenvalues --- 0.07635 0.07652 0.07671 0.07716 0.08053 Eigenvalues --- 0.15917 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16406 0.17517 0.18302 0.19976 Eigenvalues --- 0.21185 0.22412 0.24306 0.24993 0.24998 Eigenvalues --- 0.25000 0.25000 0.25000 0.25000 0.25000 Eigenvalues --- 0.25000 0.25000 0.28834 0.30085 0.33632 Eigenvalues --- 0.33692 0.33741 0.33750 0.33761 0.33768 Eigenvalues --- 0.33775 0.33806 0.33832 0.34301 0.36123 Eigenvalues --- 0.38487 0.40129 0.40669 0.40761 0.41102 Eigenvalues --- 0.41264 0.42100 0.42848 0.45151 0.46543 Eigenvalues --- 0.47634 0.48648 0.49648 0.51324 0.56065 Eigenvalues --- 0.59299 0.69035 0.70138 0.76774 0.87172 RFO step: Lambda=-9.95561938D-03 EMin= 3.03175982D-03 Quartic linear search produced a step of 0.62334. Iteration 1 RMS(Cart)= 0.06604496 RMS(Int)= 0.00217377 Iteration 2 RMS(Cart)= 0.00316541 RMS(Int)= 0.00040892 Iteration 3 RMS(Cart)= 0.00000443 RMS(Int)= 0.00040891 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00040891 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89837 -0.00418 -0.00145 -0.02030 -0.02175 2.87662 R2 2.65803 -0.01142 -0.02386 -0.00893 -0.03279 2.62524 R3 2.72500 0.00403 0.01140 -0.00093 0.01047 2.73547 R4 2.05662 -0.00508 -0.01273 -0.00436 -0.01709 2.03952 R5 2.06274 -0.00377 -0.00916 -0.00368 -0.01284 2.04990 R6 2.05983 -0.00439 -0.01085 -0.00404 -0.01489 2.04495 R7 2.05744 -0.00406 -0.01176 -0.00109 -0.01285 2.04458 R8 1.81868 -0.01656 -0.03120 -0.00906 -0.04026 1.77843 R9 2.60191 -0.00553 -0.02181 0.01207 -0.00974 2.59217 R10 2.40210 0.01043 0.00085 0.02074 0.02158 2.42369 R11 2.30109 -0.02834 -0.02128 -0.02340 -0.04468 2.25641 R12 2.70840 0.00494 0.01307 0.00379 0.01740 2.72580 R13 2.56436 0.02732 0.02659 0.03785 0.06475 2.62911 R14 2.62124 -0.01053 -0.02736 0.00307 -0.02433 2.59691 R15 2.52333 0.01972 0.03569 0.00743 0.04314 2.56647 R16 2.41300 -0.00529 -0.00903 -0.00394 -0.01289 2.40012 R17 2.65244 -0.01201 -0.01006 -0.03492 -0.04488 2.60756 R18 3.54113 -0.00547 -0.03570 0.01767 -0.01803 3.52310 R19 2.55783 0.00441 -0.00001 0.01561 0.01557 2.57340 R20 2.59570 -0.01142 -0.01712 -0.01366 -0.03113 2.56457 R21 2.41983 0.00633 -0.00347 0.01614 0.01213 2.43196 R22 2.64730 -0.02708 -0.04630 -0.04470 -0.09118 2.55612 R23 1.88244 0.00104 0.00181 0.00086 0.00266 1.88511 R24 2.55829 -0.02445 -0.04474 -0.01900 -0.06374 2.49455 R25 2.02466 0.00520 0.01285 0.00241 0.01525 2.03991 R26 2.73130 0.00587 0.01569 -0.00005 0.01564 2.74695 R27 2.73417 0.00565 0.01975 -0.00691 0.01284 2.74701 R28 2.05289 -0.00509 -0.01570 0.00003 -0.01567 2.03722 R29 2.05971 -0.00495 -0.01088 -0.00658 -0.01746 2.04225 R30 2.05966 -0.00508 -0.01128 -0.00659 -0.01787 2.04179 R31 2.05151 -0.00550 -0.01725 0.00043 -0.01682 2.03469 R32 2.06224 -0.00407 -0.00857 -0.00593 -0.01450 2.04774 R33 2.06252 -0.00437 -0.00941 -0.00613 -0.01554 2.04698 A1 1.92473 0.00478 0.01970 0.02009 0.03956 1.96430 A2 1.93032 0.00371 0.02294 -0.01030 0.01321 1.94353 A3 1.90492 0.00112 0.00545 0.02271 0.02800 1.93292 A4 1.90075 -0.00524 -0.01719 -0.01842 -0.03681 1.86393 A5 1.91976 -0.00058 -0.01036 0.01946 0.00602 1.92578 A6 1.88294 -0.00400 -0.02022 -0.03460 -0.05546 1.82748 A7 1.92261 0.00070 0.00827 -0.01089 -0.00263 1.91998 A8 1.91995 0.00160 0.00706 0.00279 0.00978 1.92973 A9 1.90944 0.00064 -0.00044 0.00826 0.00778 1.91721 A10 1.89996 -0.00137 -0.00750 -0.00155 -0.00909 1.89087 A11 1.90395 -0.00086 -0.00469 -0.00088 -0.00556 1.89838 A12 1.90777 -0.00074 -0.00277 0.00226 -0.00061 1.90716 A13 1.89185 0.00091 -0.01095 0.02910 0.01815 1.91000 A14 2.06857 -0.00496 -0.02891 0.01621 -0.01270 2.05588 A15 2.18317 0.01697 0.03850 0.03855 0.07652 2.25969 A16 2.12299 -0.00038 -0.00001 -0.00663 -0.00717 2.11583 A17 1.97702 -0.01659 -0.03849 -0.03192 -0.06936 1.90766 A18 2.25909 0.00718 0.00442 0.02091 0.02497 2.28407 A19 2.09499 -0.00467 -0.00459 -0.01492 -0.01870 2.07629 A20 1.92910 -0.00251 0.00016 -0.00599 -0.00628 1.92282 A21 1.82240 0.00195 -0.01427 0.02652 0.01241 1.83481 A22 1.97433 0.00707 0.03655 -0.03202 0.00463 1.97896 A23 2.12829 -0.00096 -0.02735 0.04664 0.01905 2.14734 A24 2.18028 -0.00614 -0.00937 -0.01484 -0.02442 2.15585 A25 2.28436 0.00423 0.03755 -0.03457 0.00289 2.28725 A26 2.18315 -0.00423 -0.01099 -0.00816 -0.01922 2.16394 A27 1.81564 -0.00000 -0.02658 0.04266 0.01620 1.83184 A28 1.88330 -0.00651 0.00414 -0.03122 -0.02708 1.85622 A29 2.17795 0.01162 0.02084 0.03714 0.05785 2.23580 A30 2.22194 -0.00511 -0.02498 -0.00591 -0.03079 2.19114 A31 2.02261 -0.00904 -0.02635 -0.02032 -0.04800 1.97460 A32 2.14868 0.00996 0.03281 0.01413 0.04727 2.19594 A33 1.99159 -0.01479 -0.05076 -0.00375 -0.05418 1.93740 A34 2.14292 0.00483 0.01795 -0.01038 0.00691 2.14984 A35 2.15088 0.01385 0.03063 0.04042 0.07130 2.22218 A36 2.06345 -0.00655 -0.01690 -0.01369 -0.03072 2.03273 A37 2.06885 -0.00730 -0.01373 -0.02672 -0.04057 2.02828 A38 2.10649 0.00767 0.01427 0.02984 0.04411 2.15060 A39 2.12440 0.00093 0.01353 -0.00828 0.00526 2.12966 A40 2.05230 -0.00860 -0.02780 -0.02156 -0.04936 2.00293 A41 2.07629 0.00060 -0.00809 0.01688 0.00880 2.08509 A42 2.08286 -0.00131 -0.00864 0.00591 -0.00273 2.08013 A43 2.12403 0.00071 0.01672 -0.02279 -0.00606 2.11797 A44 1.91298 -0.00151 -0.00958 -0.00043 -0.00997 1.90300 A45 1.92677 0.00158 0.01631 -0.01324 0.00289 1.92965 A46 1.92693 0.00142 0.01539 -0.01338 0.00182 1.92875 A47 1.91304 -0.00090 -0.00806 0.00299 -0.00503 1.90801 A48 1.91437 -0.00099 -0.00845 0.00216 -0.00627 1.90810 A49 1.86932 0.00042 -0.00525 0.02241 0.01679 1.88611 A50 1.91600 -0.00093 -0.00649 -0.00351 -0.00996 1.90604 A51 1.93500 0.00224 0.02028 -0.01270 0.00718 1.94217 A52 1.93382 0.00216 0.01936 -0.01228 0.00666 1.94049 A53 1.90280 -0.00211 -0.01400 -0.00001 -0.01398 1.88882 A54 1.90425 -0.00227 -0.01459 -0.00134 -0.01590 1.88834 A55 1.87108 0.00081 -0.00456 0.03076 0.02542 1.89650 D1 1.04710 0.00142 -0.00064 0.02795 0.02728 1.07437 D2 -3.14158 0.00117 -0.00035 0.02092 0.02053 -3.12105 D3 -1.04571 0.00165 0.00031 0.03059 0.03090 -1.01481 D4 -3.13258 0.00041 0.00452 0.01136 0.01615 -3.11642 D5 -1.03807 0.00016 0.00481 0.00433 0.00941 -1.02866 D6 1.05780 0.00064 0.00547 0.01400 0.01978 1.07758 D7 -1.06368 -0.00157 -0.00331 -0.02319 -0.02677 -1.09045 D8 1.03082 -0.00182 -0.00302 -0.03023 -0.03352 0.99731 D9 3.12670 -0.00134 -0.00236 -0.02056 -0.02315 3.10355 D10 -1.03697 0.00022 0.00555 -0.00912 -0.00412 -1.04109 D11 3.12505 -0.00400 -0.02422 0.00285 -0.02083 3.10422 D12 1.06492 0.00430 0.01831 0.04444 0.06276 1.12768 D13 -1.48493 0.00129 0.00960 0.07395 0.08362 -1.40131 D14 1.64587 0.00083 0.00636 0.06552 0.07192 1.71779 D15 0.63283 0.00616 0.03740 0.08043 0.11670 0.74952 D16 -2.51956 0.00570 0.03416 0.07200 0.10499 -2.41457 D17 2.71604 0.00021 0.00158 0.07349 0.07618 2.79222 D18 -0.43635 -0.00025 -0.00166 0.06506 0.06448 -0.37187 D19 -0.03023 0.00008 0.00001 0.00458 0.00460 -0.02564 D20 3.11091 0.00017 0.00065 0.00644 0.00710 3.11800 D21 3.13988 -0.00019 -0.00148 -0.00132 -0.00283 3.13704 D22 -0.00290 -0.00005 -0.00012 -0.00134 -0.00143 -0.00433 D23 -0.00390 -0.00003 -0.00050 0.00100 0.00061 -0.00329 D24 -3.14109 0.00003 -0.00000 0.00220 0.00227 -3.13882 D25 3.13770 -0.00006 -0.00026 -0.00143 -0.00157 3.13612 D26 0.00050 0.00001 0.00024 -0.00024 0.00009 0.00059 D27 3.13895 -0.00001 0.00001 -0.00023 -0.00010 3.13885 D28 0.00018 -0.00005 -0.00012 -0.00187 -0.00191 -0.00173 D29 -0.00264 0.00002 -0.00023 0.00211 0.00187 -0.00077 D30 -3.14141 -0.00003 -0.00036 0.00047 0.00005 -3.14136 D31 -3.13935 0.00004 0.00011 0.00129 0.00123 -3.13813 D32 -0.00182 -0.00002 -0.00036 0.00016 -0.00036 -0.00218 D33 -3.14119 0.00008 -0.00038 0.00602 0.00567 -3.13552 D34 0.00161 -0.00002 0.00002 -0.00175 -0.00188 -0.00027 D35 0.00403 0.00011 0.00002 0.00693 0.00692 0.01095 D36 -3.13636 0.00000 0.00042 -0.00084 -0.00063 -3.13699 D37 -0.00107 -0.00009 0.00055 -0.00728 -0.00664 -0.00771 D38 3.11610 -0.00154 -0.01200 -0.01715 -0.02941 3.08668 D39 3.13593 -0.00024 -0.00332 0.00432 0.00083 3.13676 D40 0.00345 0.00018 -0.00058 0.01158 0.01103 0.01448 D41 0.01962 0.00116 0.00972 0.01353 0.02302 0.04264 D42 -3.11286 0.00158 0.01246 0.02079 0.03322 -3.07965 D43 -3.13753 0.00018 0.00276 -0.00377 -0.00112 -3.13865 D44 0.00282 0.00030 0.00236 0.00430 0.00626 0.00908 D45 -0.00435 -0.00015 0.00041 -0.01068 -0.01027 -0.01462 D46 3.13600 -0.00002 0.00001 -0.00261 -0.00289 3.13311 D47 -0.00149 -0.00002 -0.00035 0.00169 0.00149 -0.00000 D48 3.14155 -0.00014 0.00012 -0.00760 -0.00743 3.13411 D49 3.14037 0.00015 0.00100 0.00233 0.00339 -3.13943 D50 -0.00074 0.00004 0.00037 0.00030 0.00061 -0.00012 D51 -3.13819 -0.00013 -0.00068 -0.00414 -0.00480 3.14019 D52 0.00057 -0.00009 -0.00055 -0.00248 -0.00298 -0.00241 D53 0.00295 -0.00003 -0.00003 -0.00228 -0.00237 0.00059 D54 -3.14147 0.00001 0.00010 -0.00062 -0.00054 3.14117 D55 -0.00969 0.00022 0.00154 0.00425 0.00577 -0.00392 D56 3.13119 0.00025 0.00170 0.00521 0.00690 3.13808 D57 3.13304 0.00009 0.00015 0.00426 0.00443 3.13747 D58 -0.00927 0.00012 0.00032 0.00522 0.00556 -0.00371 D59 -3.13370 0.00009 0.00050 0.00096 0.00146 -3.13225 D60 1.04057 0.00118 0.00614 0.00595 0.01226 1.05283 D61 -1.02303 -0.00121 -0.00622 -0.00517 -0.01155 -1.03458 D62 0.00863 0.00006 0.00034 -0.00004 0.00030 0.00893 D63 -2.10028 0.00115 0.00598 0.00495 0.01110 -2.08918 D64 2.11930 -0.00124 -0.00638 -0.00616 -0.01270 2.10659 D65 -3.11856 0.00011 0.00060 0.00096 0.00156 -3.11700 D66 1.06124 0.00191 0.00913 0.01142 0.02088 1.08212 D67 -1.01412 -0.00195 -0.00923 -0.01089 -0.02044 -1.03457 D68 0.02229 0.00014 0.00076 0.00197 0.00272 0.02501 D69 -2.08109 0.00194 0.00929 0.01243 0.02203 -2.05906 D70 2.12673 -0.00192 -0.00908 -0.00989 -0.01928 2.10744 Item Value Threshold Converged? Maximum Force 0.028340 0.000450 NO RMS Force 0.006561 0.000300 NO Maximum Displacement 0.259790 0.001800 NO RMS Displacement 0.066239 0.001200 NO Predicted change in Energy=-1.264651D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.091162 -4.905558 2.060724 2 6 0 7.277344 -4.879382 3.571312 3 8 0 6.957387 -6.195555 1.562799 4 7 0 7.672761 0.034544 0.327316 5 8 0 3.265105 -0.780171 0.142733 6 6 0 4.320319 -1.258664 0.431360 7 6 0 4.621767 -2.572785 0.944030 8 7 0 3.798472 -3.630976 1.245554 9 6 0 4.573862 -4.544946 1.665728 10 7 0 5.904195 -4.178585 1.663216 11 6 0 5.914713 -2.896195 1.205149 12 7 0 7.019588 -2.124457 1.045705 13 6 0 6.755063 -0.951065 0.588116 14 7 0 5.501165 -0.535272 0.297446 15 1 0 7.903508 -4.395044 1.566465 16 1 0 8.185005 -5.407832 3.842587 17 1 0 7.357396 -3.860458 3.926856 18 6 0 8.905058 -0.213012 0.582509 19 35 0 3.959644 -6.188049 2.297174 20 1 0 5.415310 0.395368 -0.051340 21 1 0 6.436890 -5.360843 4.053431 22 1 0 7.727691 -6.693739 1.772846 23 7 0 9.876411 0.654897 0.368596 24 1 0 9.225856 -1.158557 0.992753 25 6 0 9.559519 1.960162 -0.187176 26 6 0 11.243469 0.283251 0.694392 27 1 0 10.470834 2.524948 -0.299928 28 1 0 8.884747 2.496574 0.464651 29 1 0 9.082138 1.855542 -1.150800 30 1 0 11.896406 1.112373 0.480987 31 1 0 11.570899 -0.565983 0.106328 32 1 0 11.342315 0.036471 1.744482 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522243 0.000000 3 O 1.389215 2.422562 0.000000 4 N 5.267596 5.901400 6.391581 0.000000 5 O 5.944427 6.682570 6.706409 4.486119 0.000000 6 C 4.861300 5.631420 5.710270 3.594729 1.194042 7 C 3.575856 4.390340 4.354591 4.060426 2.386645 8 N 3.623655 4.366946 4.081233 5.411960 3.102866 9 C 2.573492 3.324441 2.901085 5.689135 4.266836 10 N 1.447547 2.453056 2.277601 4.760558 4.563538 11 C 2.480641 3.374688 3.478629 3.528534 3.553408 12 N 2.961403 3.746296 4.104277 2.367278 4.088839 13 C 4.233149 4.960232 5.338129 1.371718 3.522411 14 N 4.973594 5.722262 5.980008 2.245309 2.254745 15 H 1.079269 2.155476 2.033961 4.605429 6.050545 16 H 2.150305 1.084758 2.706472 6.499152 7.701272 17 H 2.155357 1.082140 3.346857 5.312925 6.368249 18 C 5.243598 5.775586 6.367512 1.282561 5.685432 19 Br 3.392212 3.787238 3.086394 7.509211 5.862521 20 H 5.947194 6.664365 6.958715 2.317253 2.458238 21 H 2.146215 1.081946 2.677855 6.672444 6.807080 22 H 1.919801 2.594067 0.941103 6.882032 7.585659 23 N 6.445120 6.902230 7.541586 2.289676 6.769033 24 H 4.442690 4.928508 5.553580 2.068430 6.032931 25 C 7.634392 8.131046 8.737804 2.744552 6.872984 26 C 6.784707 7.117555 7.816621 3.598132 8.067805 27 H 8.497487 8.944774 9.584427 3.797994 7.939917 28 H 7.781770 8.163321 8.970717 2.747611 6.513145 29 H 7.745343 8.421093 8.757759 2.736275 6.515986 30 H 7.861389 8.172329 8.886509 4.361710 8.842822 31 H 6.536024 7.003294 7.422795 3.950310 8.308635 32 H 6.526558 6.635277 7.622254 3.933699 8.274891 6 7 8 9 10 6 C 0.000000 7 C 1.442434 0.000000 8 N 2.561855 1.374227 0.000000 9 C 3.519603 2.100611 1.270086 0.000000 10 N 3.542890 2.177256 2.215488 1.379860 0.000000 11 C 2.412954 1.358119 2.240538 2.174487 1.361786 12 N 2.900529 2.441491 3.561619 3.496394 2.417615 13 C 2.459099 2.703257 4.044203 4.339916 3.506665 14 N 1.391267 2.311464 3.658067 4.337000 3.911711 15 H 4.895364 3.804980 4.187852 3.334496 2.013323 16 H 6.617240 5.397759 5.398470 4.303910 3.385676 17 H 5.311465 4.247237 4.461837 3.650929 2.708702 18 C 4.704897 4.903652 6.180560 6.220794 5.089094 19 Br 5.283010 3.916573 2.769568 1.864343 2.867251 20 H 2.041525 3.229613 4.528526 5.297458 4.909151 21 H 5.867465 4.553714 4.223490 3.136508 2.719306 22 H 6.553611 5.226468 5.009723 3.817777 3.108562 23 N 5.876718 6.193573 7.488599 7.539095 6.388826 24 H 4.938570 4.816643 5.969360 5.793235 4.539110 25 C 6.180020 6.797693 8.154950 8.402765 7.380350 26 C 7.097654 7.215691 8.429290 8.290877 7.025272 27 H 7.258053 7.857856 9.208927 9.413899 8.345387 28 H 5.910746 6.640873 8.001679 8.343220 7.407968 29 H 5.905626 6.625201 7.985080 8.320074 7.377580 30 H 7.938600 8.167936 9.415969 9.328908 8.080749 31 H 7.290841 7.281444 8.432238 8.198927 6.898284 32 H 7.260171 7.253599 8.402896 8.173588 6.880876 11 12 13 14 15 11 C 0.000000 12 N 1.357111 0.000000 13 C 2.206909 1.286938 0.000000 14 N 2.562987 2.321854 1.352639 0.000000 15 H 2.516427 2.491600 3.759931 4.720116 0.000000 16 H 4.291693 4.467807 5.700798 6.596428 2.507133 17 H 3.227821 3.380657 4.469290 5.260709 2.481022 18 C 4.065626 2.724550 2.273154 3.430976 4.411424 19 Br 3.981346 5.238532 6.177480 6.191049 4.393503 20 H 3.558449 3.182254 2.004177 0.997555 5.635288 21 H 3.802613 4.456472 5.617453 6.186205 3.044460 22 H 4.246235 4.680649 5.943727 6.712744 2.314628 23 N 5.385641 4.042862 3.517118 4.534793 5.552400 24 H 3.745419 2.409022 2.512290 3.839956 3.542964 25 C 6.229557 4.965417 4.115980 4.788767 6.797519 26 C 6.226186 4.874593 4.656245 5.813914 5.813974 27 H 7.239633 5.944645 5.165098 5.866806 7.613204 28 H 6.200919 5.017008 4.054258 4.546281 7.047781 29 H 6.177546 4.991907 4.039325 4.542772 6.916828 30 H 7.236967 5.880420 5.540998 6.606628 6.888624 31 H 6.215283 4.901602 4.855171 6.072820 5.499406 32 H 6.192760 4.883019 4.832731 6.044818 5.612077 16 17 18 19 20 16 H 0.000000 17 H 1.756817 0.000000 18 C 6.175172 5.184956 0.000000 19 Br 4.566259 4.429251 7.943442 0.000000 20 H 7.517381 6.140830 3.598643 7.139739 0.000000 21 H 1.761412 1.764798 6.681266 3.147293 7.143300 22 H 2.479218 3.578318 6.693498 3.837815 7.676601 23 N 7.189309 6.276550 1.320058 9.249512 4.488333 24 H 5.221232 4.404585 1.079476 7.397993 4.245595 25 C 8.509737 7.460175 2.396543 10.194310 4.431874 26 C 7.187055 6.536108 2.393107 9.874247 5.876745 27 H 9.236582 8.266354 3.275176 11.182883 5.491378 28 H 8.624369 7.398075 2.712224 10.150737 4.088803 29 H 8.859761 7.837727 2.704557 10.140406 4.097139 30 H 8.221188 7.563443 3.273396 10.935580 6.542330 31 H 6.990523 6.572945 2.730943 9.712808 6.232202 32 H 6.634086 5.985682 2.711576 9.672329 6.203481 21 22 23 24 25 21 H 0.000000 22 H 2.940042 0.000000 23 N 7.848404 7.784046 0.000000 24 H 5.899600 5.787165 2.025194 0.000000 25 C 9.018352 9.060203 1.453623 3.351115 0.000000 26 C 8.138928 7.886834 1.453654 2.497717 2.534734 27 H 9.869658 9.838974 2.073006 4.097464 1.078050 28 H 8.978327 9.354785 2.093896 3.708805 1.080710 29 H 9.282110 9.136325 2.093079 3.701387 1.080467 30 H 9.190822 8.943292 2.074198 3.542720 2.574146 31 H 8.057813 7.422730 2.104904 2.576067 3.242407 32 H 7.650193 7.639505 2.103422 2.544128 3.257337 26 27 28 29 30 26 C 0.000000 27 H 2.571156 0.000000 28 H 3.242707 1.760982 0.000000 29 H 3.247796 1.760842 1.749162 0.000000 30 H 1.076714 2.153475 3.314570 3.336935 0.000000 31 H 1.083619 3.305911 4.089385 3.692978 1.750201 32 H 1.083217 3.336406 3.705362 4.098789 1.749571 31 32 31 H 0.000000 32 H 1.760327 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.268791 -1.933588 -0.141820 2 6 0 -1.490065 -2.540044 1.236757 3 8 0 -2.243222 -2.316610 -1.054889 4 7 0 3.343400 0.607681 -0.010626 5 8 0 0.212240 3.818860 0.086438 6 6 0 0.376746 2.637016 0.042623 7 6 0 -0.599772 1.576389 -0.003180 8 7 0 -1.973357 1.618318 -0.006093 9 6 0 -2.341929 0.403746 -0.051785 10 7 0 -1.288876 -0.487080 -0.090778 11 6 0 -0.170499 0.288616 -0.046188 12 7 0 1.107340 -0.168365 -0.052956 13 6 0 1.981911 0.774874 -0.012487 14 7 0 1.654424 2.086516 0.032006 15 1 0 -0.286857 -2.180973 -0.515223 16 1 0 -1.445604 -3.622275 1.177606 17 1 0 -0.726404 -2.205089 1.926433 18 6 0 3.798708 -0.591272 -0.023626 19 35 0 -4.130586 -0.118529 0.009123 20 1 0 2.416064 2.730072 0.061255 21 1 0 -2.462554 -2.251632 1.613178 22 1 0 -2.239842 -3.253681 -1.141844 23 7 0 5.087839 -0.875301 -0.028389 24 1 0 3.146264 -1.451225 -0.031755 25 6 0 6.058480 0.206758 -0.023584 26 6 0 5.506928 -2.267194 -0.038872 27 1 0 7.051807 -0.211910 -0.038072 28 1 0 5.940983 0.818115 0.859802 29 1 0 5.924428 0.839396 -0.889152 30 1 0 6.582414 -2.313495 -0.016530 31 1 0 5.164451 -2.774270 -0.933194 32 1 0 5.127548 -2.796706 0.826603 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5818923 0.1441969 0.1182193 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1843.1591168883 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.26D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999993 -0.001318 0.001299 0.003210 Ang= -0.42 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.56915393 A.U. after 14 cycles NFock= 14 Conv=0.55D-08 -V/T= 2.0037 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 -0.001570699 -0.000433816 0.001770359 2 6 -0.000236445 -0.001877388 -0.001480761 3 8 -0.001643576 0.002050893 -0.003742150 4 7 0.006572583 0.001123397 0.000516908 5 8 -0.000868002 0.003457565 -0.001491165 6 6 -0.006863153 -0.009828858 0.003043516 7 6 -0.003098380 0.000012625 -0.000257360 8 7 -0.005250477 0.000919062 -0.000648762 9 6 0.002429287 0.003648068 0.000932063 10 7 -0.000578163 -0.000086298 0.000476554 11 6 0.003940498 0.000643117 -0.002740215 12 7 0.003713092 -0.007356643 0.003344417 13 6 0.000347302 0.008073275 -0.003341762 14 7 -0.001559815 0.005825095 -0.002196493 15 1 0.001874635 0.001047945 0.001455846 16 1 0.001117241 -0.000640767 0.000964325 17 1 0.000179019 0.001044110 0.000015870 18 6 -0.004182494 -0.008011769 0.002346426 19 35 -0.001136132 0.000076578 0.000391748 20 1 -0.000855153 -0.000062992 -0.000092773 21 1 -0.000200090 -0.000347821 0.000561605 22 1 0.005564719 -0.004608995 0.001850664 23 7 0.002864384 0.004643195 -0.001211456 24 1 -0.001492529 -0.000590881 0.000105719 25 6 -0.000740012 0.000347189 -0.000241362 26 6 -0.000002829 -0.001526679 0.000300147 27 1 0.000719927 0.000786781 -0.000250652 28 1 -0.000490358 0.000669361 0.000896256 29 1 -0.000261144 -0.000123779 -0.001252454 30 1 0.001096604 0.001079861 -0.000169763 31 1 0.000383217 -0.000158320 -0.000600245 32 1 0.000226943 0.000206890 0.000744949 ------------------------------------------------------------------- Cartesian Forces: Max 0.009828858 RMS 0.002748626 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.009105990 RMS 0.002143791 Search for a local minimum. Step number 3 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 3 DE= -1.13D-02 DEPred=-1.26D-02 R= 8.96D-01 TightC=F SS= 1.41D+00 RLast= 3.77D-01 DXNew= 8.4853D-01 1.1298D+00 Trust test= 8.96D-01 RLast= 3.77D-01 DXMaxT set to 8.49D-01 ITU= 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00303 0.01205 0.01268 0.01294 0.01337 Eigenvalues --- 0.01407 0.01615 0.01638 0.01753 0.01801 Eigenvalues --- 0.01865 0.01926 0.02034 0.02060 0.02147 Eigenvalues --- 0.02239 0.02386 0.02450 0.02543 0.02669 Eigenvalues --- 0.03406 0.05162 0.05232 0.05601 0.05678 Eigenvalues --- 0.07498 0.07661 0.07752 0.07764 0.08523 Eigenvalues --- 0.15903 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16079 0.16392 0.17857 0.18317 0.20042 Eigenvalues --- 0.21271 0.22158 0.24237 0.24976 0.24993 Eigenvalues --- 0.24999 0.25000 0.25000 0.25000 0.25000 Eigenvalues --- 0.25000 0.27058 0.28799 0.30262 0.33671 Eigenvalues --- 0.33726 0.33740 0.33754 0.33760 0.33771 Eigenvalues --- 0.33777 0.33818 0.33834 0.34420 0.37592 Eigenvalues --- 0.38479 0.40135 0.40707 0.40749 0.41119 Eigenvalues --- 0.41661 0.41803 0.42706 0.45162 0.46764 Eigenvalues --- 0.47847 0.48647 0.50244 0.51769 0.55906 Eigenvalues --- 0.58826 0.69032 0.70495 0.76799 0.87628 RFO step: Lambda=-3.49251209D-03 EMin= 3.03219346D-03 Quartic linear search produced a step of -0.04624. Iteration 1 RMS(Cart)= 0.08167101 RMS(Int)= 0.00344179 Iteration 2 RMS(Cart)= 0.00511519 RMS(Int)= 0.00003774 Iteration 3 RMS(Cart)= 0.00001074 RMS(Int)= 0.00003715 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00003715 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87662 0.00013 0.00101 -0.00265 -0.00164 2.87498 R2 2.62524 0.00268 0.00152 0.00208 0.00359 2.62883 R3 2.73547 0.00644 -0.00048 0.01596 0.01548 2.75095 R4 2.03952 0.00124 0.00079 0.00134 0.00213 2.04165 R5 2.04990 0.00149 0.00059 0.00253 0.00313 2.05302 R6 2.04495 0.00100 0.00069 0.00094 0.00163 2.04658 R7 2.04458 0.00056 0.00059 0.00004 0.00063 2.04521 R8 1.77843 0.00741 0.00186 0.00921 0.01107 1.78950 R9 2.59217 0.00180 0.00045 0.00293 0.00338 2.59555 R10 2.42369 -0.00115 -0.00100 0.00162 0.00062 2.42431 R11 2.25641 0.00251 0.00207 -0.00294 -0.00087 2.25554 R12 2.72580 0.00003 -0.00080 0.00173 0.00091 2.72672 R13 2.62911 0.00845 -0.00299 0.02223 0.01923 2.64834 R14 2.59691 -0.00064 0.00113 -0.00401 -0.00290 2.59401 R15 2.56647 0.00572 -0.00199 0.01269 0.01066 2.57713 R16 2.40012 0.00242 0.00060 0.00150 0.00212 2.40224 R17 2.60756 0.00212 0.00208 -0.00168 0.00042 2.60797 R18 3.52310 0.00044 0.00083 0.00026 0.00109 3.52419 R19 2.57340 0.00154 -0.00072 0.00501 0.00428 2.57768 R20 2.56457 -0.00047 0.00144 -0.00523 -0.00378 2.56079 R21 2.43196 0.00744 -0.00056 0.01180 0.01126 2.44322 R22 2.55612 0.00796 0.00422 0.00801 0.01223 2.56835 R23 1.88511 0.00005 -0.00012 0.00041 0.00029 1.88540 R24 2.49455 0.00698 0.00295 0.00621 0.00916 2.50370 R25 2.03991 0.00011 -0.00071 0.00208 0.00137 2.04128 R26 2.74695 0.00200 -0.00072 0.00635 0.00563 2.75258 R27 2.74701 0.00177 -0.00059 0.00526 0.00467 2.75168 R28 2.03722 0.00105 0.00072 0.00110 0.00182 2.03904 R29 2.04225 0.00118 0.00081 0.00106 0.00187 2.04412 R30 2.04179 0.00124 0.00083 0.00120 0.00203 2.04381 R31 2.03469 0.00153 0.00078 0.00232 0.00310 2.03779 R32 2.04774 0.00057 0.00067 -0.00027 0.00040 2.04814 R33 2.04698 0.00070 0.00072 -0.00004 0.00068 2.04767 A1 1.96430 -0.00102 -0.00183 0.00401 0.00196 1.96626 A2 1.94353 -0.00002 -0.00061 0.00833 0.00757 1.95110 A3 1.93292 -0.00042 -0.00129 -0.00896 -0.01025 1.92266 A4 1.86393 0.00236 0.00170 0.01727 0.01890 1.88283 A5 1.92578 -0.00065 -0.00028 -0.01283 -0.01300 1.91278 A6 1.82748 -0.00010 0.00256 -0.00785 -0.00519 1.82229 A7 1.91998 0.00087 0.00012 0.00462 0.00473 1.92471 A8 1.92973 -0.00070 -0.00045 -0.00313 -0.00357 1.92616 A9 1.91721 0.00048 -0.00036 0.00424 0.00387 1.92109 A10 1.89087 -0.00018 0.00042 -0.00287 -0.00244 1.88843 A11 1.89838 -0.00057 0.00026 -0.00320 -0.00296 1.89542 A12 1.90716 0.00008 0.00003 0.00021 0.00025 1.90741 A13 1.91000 0.00116 -0.00084 0.00946 0.00863 1.91863 A14 2.05588 -0.00405 0.00059 -0.01621 -0.01562 2.04026 A15 2.25969 0.00305 -0.00354 0.02129 0.01776 2.27746 A16 2.11583 -0.00357 0.00033 -0.01441 -0.01407 2.10176 A17 1.90766 0.00052 0.00321 -0.00687 -0.00370 1.90397 A18 2.28407 -0.00136 -0.00115 -0.00067 -0.00180 2.28227 A19 2.07629 0.00069 0.00086 -0.00189 -0.00104 2.07525 A20 1.92282 0.00068 0.00029 0.00255 0.00283 1.92565 A21 1.83481 -0.00198 -0.00057 -0.00622 -0.00676 1.82805 A22 1.97896 0.00341 -0.00021 0.01146 0.01120 1.99016 A23 2.14734 -0.00349 -0.00088 -0.00962 -0.01061 2.13673 A24 2.15585 0.00006 0.00113 -0.00301 -0.00201 2.15384 A25 2.28725 0.00279 -0.00013 0.00998 0.00983 2.29708 A26 2.16394 -0.00033 0.00089 -0.00365 -0.00277 2.16116 A27 1.83184 -0.00246 -0.00075 -0.00635 -0.00707 1.82477 A28 1.85622 0.00035 0.00125 -0.00142 -0.00018 1.85604 A29 2.23580 0.00155 -0.00268 0.01156 0.00889 2.24469 A30 2.19114 -0.00190 0.00142 -0.01014 -0.00871 2.18243 A31 1.97460 0.00057 0.00222 -0.00410 -0.00185 1.97275 A32 2.19594 -0.00727 -0.00219 -0.02201 -0.02420 2.17174 A33 1.93740 0.00911 0.00251 0.02633 0.02882 1.96622 A34 2.14984 -0.00183 -0.00032 -0.00431 -0.00462 2.14522 A35 2.22218 -0.00149 -0.00330 0.00561 0.00231 2.22448 A36 2.03273 -0.00007 0.00142 -0.00675 -0.00533 2.02740 A37 2.02828 0.00156 0.00188 0.00114 0.00302 2.03130 A38 2.15060 -0.00345 -0.00204 -0.00851 -0.01055 2.14005 A39 2.12966 0.00009 -0.00024 -0.00152 -0.00177 2.12789 A40 2.00293 0.00336 0.00228 0.01003 0.01232 2.01525 A41 2.08509 -0.00104 -0.00041 -0.00242 -0.00282 2.08226 A42 2.08013 0.00078 0.00013 0.00270 0.00282 2.08295 A43 2.11797 0.00026 0.00028 -0.00028 -0.00000 2.11797 A44 1.90300 0.00039 0.00046 0.00040 0.00086 1.90386 A45 1.92965 -0.00010 -0.00013 -0.00009 -0.00022 1.92943 A46 1.92875 -0.00004 -0.00008 0.00011 0.00003 1.92878 A47 1.90801 -0.00023 0.00023 -0.00249 -0.00226 1.90575 A48 1.90810 -0.00027 0.00029 -0.00294 -0.00265 1.90545 A49 1.88611 0.00024 -0.00078 0.00494 0.00417 1.89028 A50 1.90604 0.00015 0.00046 -0.00159 -0.00113 1.90491 A51 1.94217 0.00010 -0.00033 0.00195 0.00161 1.94379 A52 1.94049 0.00012 -0.00031 0.00190 0.00160 1.94209 A53 1.88882 -0.00028 0.00065 -0.00444 -0.00379 1.88503 A54 1.88834 -0.00032 0.00074 -0.00506 -0.00433 1.88401 A55 1.89650 0.00020 -0.00118 0.00686 0.00569 1.90218 D1 1.07437 -0.00133 -0.00126 -0.01431 -0.01556 1.05881 D2 -3.12105 -0.00143 -0.00095 -0.01690 -0.01785 -3.13890 D3 -1.01481 -0.00147 -0.00143 -0.01589 -0.01732 -1.03213 D4 -3.11642 0.00099 -0.00075 0.01648 0.01574 -3.10068 D5 -1.02866 0.00089 -0.00043 0.01389 0.01346 -1.01521 D6 1.07758 0.00085 -0.00091 0.01491 0.01399 1.09156 D7 -1.09045 0.00059 0.00124 0.00632 0.00757 -1.08289 D8 0.99731 0.00048 0.00155 0.00373 0.00528 1.00259 D9 3.10355 0.00045 0.00107 0.00475 0.00581 3.10936 D10 -1.04109 0.00123 0.00019 0.03447 0.03470 -1.00639 D11 3.10422 0.00028 0.00096 0.00975 0.01063 3.11485 D12 1.12768 -0.00055 -0.00290 0.01602 0.01316 1.14084 D13 -1.40131 0.00178 -0.00387 0.12752 0.12358 -1.27772 D14 1.71779 0.00175 -0.00333 0.12586 0.12245 1.84024 D15 0.74952 0.00207 -0.00540 0.14911 0.14384 0.89336 D16 -2.41457 0.00205 -0.00485 0.14745 0.14271 -2.27186 D17 2.79222 0.00235 -0.00352 0.13856 0.13501 2.92723 D18 -0.37187 0.00233 -0.00298 0.13690 0.13387 -0.23799 D19 -0.02564 0.00023 -0.00021 0.01085 0.01064 -0.01500 D20 3.11800 0.00014 -0.00033 0.00754 0.00721 3.12522 D21 3.13704 0.00005 0.00013 0.00068 0.00081 3.13785 D22 -0.00433 0.00002 0.00007 0.00022 0.00029 -0.00405 D23 -0.00329 -0.00007 -0.00003 -0.00307 -0.00311 -0.00640 D24 -3.13882 -0.00005 -0.00010 -0.00141 -0.00154 -3.14037 D25 3.13612 0.00002 0.00007 -0.00042 -0.00034 3.13578 D26 0.00059 0.00003 -0.00000 0.00125 0.00123 0.00182 D27 3.13885 0.00008 0.00000 0.00283 0.00281 -3.14153 D28 -0.00173 0.00004 0.00009 0.00097 0.00104 -0.00069 D29 -0.00077 -0.00000 -0.00009 0.00038 0.00031 -0.00046 D30 -3.14136 -0.00004 -0.00000 -0.00148 -0.00145 3.14037 D31 -3.13813 -0.00004 -0.00006 -0.00190 -0.00193 -3.14006 D32 -0.00218 -0.00006 0.00002 -0.00346 -0.00341 -0.00559 D33 -3.13552 -0.00002 -0.00026 0.00053 0.00026 -3.13526 D34 -0.00027 -0.00001 0.00009 -0.00073 -0.00065 -0.00092 D35 0.01095 -0.00000 -0.00032 0.00187 0.00154 0.01249 D36 -3.13699 0.00001 0.00003 0.00062 0.00064 -3.13635 D37 -0.00771 0.00009 0.00031 0.00371 0.00402 -0.00369 D38 3.08668 -0.00039 0.00136 -0.02309 -0.02162 3.06506 D39 3.13676 -0.00012 -0.00004 -0.00409 -0.00414 3.13263 D40 0.01448 -0.00010 -0.00051 -0.00265 -0.00316 0.01131 D41 0.04264 0.00047 -0.00106 0.02307 0.02205 0.06469 D42 -3.07965 0.00049 -0.00154 0.02451 0.02302 -3.05662 D43 -3.13865 0.00006 0.00005 0.00153 0.00158 -3.13707 D44 0.00908 0.00003 -0.00029 0.00264 0.00237 0.01144 D45 -0.01462 0.00009 0.00047 0.00041 0.00089 -0.01373 D46 3.13311 0.00006 0.00013 0.00153 0.00168 3.13479 D47 -0.00000 -0.00005 -0.00007 -0.00157 -0.00164 -0.00165 D48 3.13411 -0.00002 0.00034 -0.00301 -0.00266 3.13145 D49 -3.13943 -0.00003 -0.00016 -0.00048 -0.00059 -3.14002 D50 -0.00012 0.00009 -0.00003 0.00324 0.00321 0.00309 D51 3.14019 0.00002 0.00022 0.00027 0.00052 3.14071 D52 -0.00241 0.00006 0.00014 0.00212 0.00229 -0.00012 D53 0.00059 -0.00007 0.00011 -0.00292 -0.00282 -0.00223 D54 3.14117 -0.00003 0.00003 -0.00106 -0.00105 3.14012 D55 -0.00392 0.00003 -0.00027 0.00237 0.00210 -0.00181 D56 3.13808 0.00006 -0.00032 0.00429 0.00397 -3.14113 D57 3.13747 0.00005 -0.00020 0.00280 0.00260 3.14007 D58 -0.00371 0.00008 -0.00026 0.00472 0.00446 0.00075 D59 -3.13225 0.00002 -0.00007 0.00149 0.00142 -3.13083 D60 1.05283 0.00013 -0.00057 0.00437 0.00380 1.05663 D61 -1.03458 -0.00008 0.00053 -0.00181 -0.00128 -1.03586 D62 0.00893 -0.00001 -0.00001 -0.00047 -0.00049 0.00844 D63 -2.08918 0.00009 -0.00051 0.00241 0.00189 -2.08728 D64 2.10659 -0.00012 0.00059 -0.00377 -0.00319 2.10341 D65 -3.11700 0.00004 -0.00007 0.00187 0.00179 -3.11520 D66 1.08212 0.00023 -0.00097 0.00718 0.00621 1.08833 D67 -1.03457 -0.00019 0.00095 -0.00424 -0.00330 -1.03786 D68 0.02501 0.00007 -0.00013 0.00382 0.00370 0.02871 D69 -2.05906 0.00026 -0.00102 0.00914 0.00812 -2.05094 D70 2.10744 -0.00016 0.00089 -0.00228 -0.00139 2.10605 Item Value Threshold Converged? Maximum Force 0.009106 0.000450 NO RMS Force 0.002144 0.000300 NO Maximum Displacement 0.356154 0.001800 NO RMS Displacement 0.082378 0.001200 NO Predicted change in Energy=-1.957126D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.125725 -4.845372 2.086804 2 6 0 7.234895 -4.953921 3.600370 3 8 0 7.128307 -6.086724 1.458918 4 7 0 7.660090 0.058864 0.307262 5 8 0 3.226519 -0.781002 0.121711 6 6 0 4.279391 -1.257452 0.420195 7 6 0 4.602124 -2.561672 0.946369 8 7 0 3.794561 -3.626091 1.261228 9 6 0 4.590646 -4.521532 1.685968 10 7 0 5.917482 -4.141922 1.681239 11 6 0 5.906162 -2.862283 1.208977 12 7 0 7.003341 -2.084609 1.042409 13 6 0 6.726413 -0.914055 0.568395 14 7 0 5.460157 -0.516581 0.275490 15 1 0 7.932212 -4.240858 1.697708 16 1 0 8.163533 -5.445471 3.876599 17 1 0 7.226751 -3.968864 4.050359 18 6 0 8.882972 -0.224210 0.572285 19 35 0 3.991350 -6.151196 2.366389 20 1 0 5.357843 0.408276 -0.084502 21 1 0 6.408306 -5.532588 3.991814 22 1 0 7.916160 -6.561067 1.684808 23 7 0 9.875183 0.628013 0.361093 24 1 0 9.171432 -1.179766 0.985249 25 6 0 9.580618 1.941338 -0.195774 26 6 0 11.237808 0.231838 0.687582 27 1 0 10.501977 2.491510 -0.308366 28 1 0 8.916145 2.490473 0.457680 29 1 0 9.104010 1.845112 -1.161855 30 1 0 11.904770 1.052638 0.477123 31 1 0 11.554893 -0.618032 0.094403 32 1 0 11.334227 -0.015793 1.738070 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521376 0.000000 3 O 1.391116 2.424958 0.000000 4 N 5.244411 6.012768 6.275139 0.000000 5 O 5.965275 6.751400 6.720325 4.516233 0.000000 6 C 4.873640 5.701964 5.702380 3.629678 1.193582 7 C 3.589490 4.438249 4.366955 4.077600 2.396485 8 N 3.642098 4.366992 4.148212 5.425059 3.117002 9 C 2.586923 3.293015 2.990168 5.683516 4.277769 10 N 1.455739 2.465357 2.301691 4.750905 4.579213 11 C 2.488083 3.443725 3.457330 3.524550 3.562916 12 N 2.954242 3.850939 4.025670 2.359288 4.100179 13 C 4.233234 5.076608 5.264130 1.373505 3.530791 14 N 4.979298 5.821899 5.933778 2.274170 2.254486 15 H 1.080395 2.148216 2.027439 4.527141 6.049622 16 H 2.154189 1.086413 2.707042 6.579614 7.760835 17 H 2.152678 1.083003 3.348222 5.515538 6.449698 18 C 5.170766 5.852831 6.183368 1.282891 5.701623 19 Br 3.407001 3.671071 3.266215 7.500968 5.870480 20 H 5.953216 6.771614 6.906643 2.361336 2.449377 21 H 2.148492 1.082281 2.690916 6.812285 6.905001 22 H 1.931321 2.591605 0.946964 6.766587 7.605601 23 N 6.363610 6.972950 7.337455 2.287677 6.800541 24 H 4.339931 4.983300 5.336381 2.068339 6.020523 25 C 7.569418 8.213265 8.555795 2.735906 6.920008 26 C 6.681699 7.169361 7.576753 3.602032 8.094863 27 H 8.424117 9.021447 9.385684 3.791185 7.989155 28 H 7.724912 8.253612 8.818569 2.740989 6.571702 29 H 7.696101 8.508774 8.584048 2.726516 6.564215 30 H 7.759952 8.224425 8.645751 4.362769 8.876970 31 H 6.438757 7.053661 7.166810 3.958913 8.330014 32 H 6.415445 6.682649 7.390798 3.943611 8.302596 6 7 8 9 10 6 C 0.000000 7 C 1.442916 0.000000 8 N 2.559853 1.372692 0.000000 9 C 3.514723 2.094800 1.271208 0.000000 10 N 3.548766 2.183435 2.224699 1.380080 0.000000 11 C 2.417445 1.363761 2.246107 2.170533 1.364051 12 N 2.913973 2.450032 3.566556 3.489106 2.412411 13 C 2.475439 2.714795 4.053507 4.338705 3.508834 14 N 1.401441 2.317045 3.662642 4.334182 3.915147 15 H 4.886292 3.804427 4.205784 3.353354 2.017225 16 H 6.676285 5.439317 5.407238 4.291625 3.400528 17 H 5.405254 4.301582 4.435840 3.583970 2.712355 18 C 4.720559 4.891761 6.159494 6.175057 5.037100 19 Br 5.274408 3.908220 2.763379 1.864922 2.866461 20 H 2.047541 3.233326 4.531110 5.293974 4.912772 21 H 5.963684 4.622052 4.233497 3.105326 2.741098 22 H 6.553905 5.246264 5.077508 3.901122 3.137992 23 N 5.905197 6.190460 7.475400 7.496629 6.337071 24 H 4.925178 4.773861 5.913663 5.713318 4.454992 25 C 6.222112 6.809331 8.160734 8.379109 7.344916 26 C 7.121028 7.204371 8.403250 8.232622 6.958663 27 H 7.301102 7.868753 9.212931 9.386371 8.305332 28 H 5.962200 6.661363 8.018021 8.329876 7.380903 29 H 5.950271 6.643142 7.999728 8.307509 7.354027 30 H 7.967820 8.161622 9.395788 9.275187 8.017541 31 H 7.310809 7.269428 8.404324 8.140708 6.834929 32 H 7.283489 7.240822 8.373064 8.110505 6.809500 11 12 13 14 15 11 C 0.000000 12 N 1.355110 0.000000 13 C 2.208789 1.292895 0.000000 14 N 2.563715 2.329870 1.359111 0.000000 15 H 2.498841 2.437545 3.714421 4.690842 0.000000 16 H 4.345664 4.546874 5.791654 6.676090 2.500433 17 H 3.322940 3.556416 4.659000 5.411908 2.471159 18 C 4.028176 2.686096 2.264211 3.448077 4.278315 19 Br 3.977822 5.230884 6.175841 6.186934 4.430229 20 H 3.559535 3.192502 2.011918 0.997708 5.605184 21 H 3.889327 4.576201 5.757763 6.314299 3.042002 22 H 4.236451 4.613523 5.877978 6.674874 2.320301 23 N 5.352962 4.008739 3.512222 4.561784 5.409952 24 H 3.680068 2.350026 2.494491 3.836291 3.378394 25 C 6.208842 4.937986 4.108979 4.820960 6.672485 26 C 6.186427 4.839684 4.656175 5.840480 5.652639 27 H 7.217128 5.916580 5.159600 5.899953 7.480161 28 H 6.186795 4.993206 4.049443 4.584694 6.914955 29 H 6.164952 4.971348 4.032336 4.573972 6.825631 30 H 7.200383 5.846869 5.540000 6.635973 6.729944 31 H 6.179571 4.875058 4.860712 6.098270 5.368358 32 H 6.151937 4.849795 4.838075 6.074095 5.424620 16 17 18 19 20 16 H 0.000000 17 H 1.757305 0.000000 18 C 6.220743 5.372383 0.000000 19 Br 4.492872 4.250430 7.891511 0.000000 20 H 7.604509 6.304700 3.641146 7.134483 0.000000 21 H 1.761160 1.765931 6.782037 2.977643 7.281049 22 H 2.471780 3.576400 6.506012 4.004583 7.631984 23 N 7.223277 6.461901 1.324903 9.197738 4.544579 24 H 5.250905 4.577746 1.080202 7.311355 4.267283 25 C 8.553203 7.648583 2.401296 10.163351 4.493828 26 C 7.200890 6.711389 2.401359 9.801667 5.933063 27 H 9.272428 8.453522 3.282051 11.146253 5.554466 28 H 8.673790 7.581848 2.717303 10.127943 4.158247 29 H 8.911964 8.030791 2.708910 10.125648 4.154390 30 H 8.232782 7.737400 3.281868 10.866774 6.602491 31 H 7.007888 6.753553 2.742741 9.642874 6.284007 32 H 6.641386 6.151814 2.722341 9.589359 6.262489 21 22 23 24 25 21 H 0.000000 22 H 2.941712 0.000000 23 N 7.946973 7.567884 0.000000 24 H 5.968363 5.569874 2.037867 0.000000 25 C 9.135591 8.865546 1.456602 3.362073 0.000000 26 C 8.214051 7.627015 1.456124 2.520147 2.539486 27 H 9.981775 9.623324 2.076937 4.113643 1.079013 28 H 9.118600 9.188917 2.097103 3.716740 1.081701 29 H 9.394550 8.954235 2.096522 3.710052 1.081540 30 H 9.269809 8.679632 2.076775 3.565524 2.577646 31 H 8.113570 7.147687 2.108360 2.605771 3.245357 32 H 7.731693 7.384215 2.106980 2.568902 3.262707 26 27 28 29 30 26 C 0.000000 27 H 2.576719 0.000000 28 H 3.247216 1.761162 0.000000 29 H 3.252102 1.760848 1.753477 0.000000 30 H 1.078353 2.157586 3.316569 3.340437 0.000000 31 H 1.083828 3.307584 4.093626 3.694873 1.749293 32 H 1.083579 3.341723 3.710511 4.104437 1.748443 31 32 31 H 0.000000 32 H 1.764378 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.224355 -1.937193 -0.121348 2 6 0 -1.610609 -2.546270 1.218211 3 8 0 -2.042725 -2.366474 -1.161152 4 7 0 3.346636 0.630922 -0.000212 5 8 0 0.185935 3.856382 0.052070 6 6 0 0.346686 2.674044 0.022502 7 6 0 -0.614451 1.598566 -0.017128 8 7 0 -1.986900 1.622896 -0.025604 9 6 0 -2.331830 0.399974 -0.063753 10 7 0 -1.271112 -0.482607 -0.087170 11 6 0 -0.163168 0.311930 -0.044663 12 7 0 1.115810 -0.135871 -0.041292 13 6 0 1.986184 0.819628 -0.008886 14 7 0 1.639666 2.133454 0.022218 15 1 0 -0.194371 -2.167733 -0.352080 16 1 0 -1.527725 -3.628753 1.177545 17 1 0 -0.953098 -2.185815 1.999649 18 6 0 3.764403 -0.582008 -0.009203 19 35 0 -4.114601 -0.139540 0.028912 20 1 0 2.390813 2.789641 0.047127 21 1 0 -2.632497 -2.287262 1.463142 22 1 0 -2.015198 -3.310898 -1.224753 23 7 0 5.052088 -0.893827 -0.006510 24 1 0 3.083501 -1.420523 -0.019249 25 6 0 6.043919 0.172865 0.004854 26 6 0 5.446935 -2.295350 -0.017856 27 1 0 7.030915 -0.263027 -0.005458 28 1 0 5.934273 0.783837 0.890725 29 1 0 5.927101 0.808208 -0.862568 30 1 0 6.522910 -2.359873 0.013101 31 1 0 5.107186 -2.794117 -0.918126 32 1 0 5.055972 -2.820939 0.845304 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5672401 0.1458206 0.1188456 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.6232214441 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.32D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999997 0.000919 0.002129 -0.001076 Ang= 0.29 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.57084400 A.U. after 14 cycles NFock= 14 Conv=0.25D-08 -V/T= 2.0037 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 0.001063677 0.001278825 -0.000058943 2 6 -0.001612547 -0.001793381 0.000143889 3 8 -0.003617721 -0.001035166 -0.002396208 4 7 -0.000237608 -0.000615725 0.000315794 5 8 -0.001210975 0.000721454 -0.000347022 6 6 0.000419286 -0.004948132 0.001662460 7 6 0.001027590 0.003014525 -0.001023819 8 7 -0.000794638 -0.001377452 0.000175068 9 6 -0.000561582 0.001583912 0.003347243 10 7 0.000984069 -0.001128870 0.000820107 11 6 0.001734484 -0.000747559 -0.003131340 12 7 -0.001997054 -0.001813599 0.000430936 13 6 -0.001434819 0.002854923 -0.001027231 14 7 0.004970109 0.002647533 -0.000397621 15 1 -0.000558020 0.001467598 0.001666123 16 1 0.000207167 -0.000067832 -0.000353982 17 1 -0.000022332 0.000490617 0.000144813 18 6 -0.000332584 -0.001783508 0.000512430 19 35 0.001646456 -0.001693412 -0.001328409 20 1 -0.000577066 0.000040729 -0.000111208 21 1 0.000715844 0.000322308 0.000788636 22 1 0.000049651 0.000303708 0.001048064 23 7 0.001200145 0.001571776 -0.000209499 24 1 -0.000448388 0.001035797 -0.000493998 25 6 -0.000019425 -0.000503076 0.000038117 26 6 -0.000480716 0.000408204 -0.000339729 27 1 0.000451366 0.000101512 0.000016720 28 1 -0.000304888 0.000050247 0.000170297 29 1 -0.000262898 -0.000080925 -0.000217013 30 1 0.000221534 0.000408076 -0.000061749 31 1 -0.000060770 -0.000376704 -0.000087918 32 1 -0.000157346 -0.000336404 0.000304992 ------------------------------------------------------------------- Cartesian Forces: Max 0.004970109 RMS 0.001368915 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005279384 RMS 0.001136572 Search for a local minimum. Step number 4 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 3 4 DE= -1.69D-03 DEPred=-1.96D-03 R= 8.64D-01 TightC=F SS= 1.41D+00 RLast= 3.44D-01 DXNew= 1.4270D+00 1.0307D+00 Trust test= 8.64D-01 RLast= 3.44D-01 DXMaxT set to 1.03D+00 ITU= 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00303 0.00921 0.01268 0.01294 0.01340 Eigenvalues --- 0.01407 0.01612 0.01636 0.01752 0.01801 Eigenvalues --- 0.01861 0.01914 0.02051 0.02133 0.02236 Eigenvalues --- 0.02310 0.02381 0.02478 0.02579 0.02670 Eigenvalues --- 0.03406 0.05175 0.05511 0.05629 0.05652 Eigenvalues --- 0.07479 0.07655 0.07767 0.07768 0.08497 Eigenvalues --- 0.15832 0.15987 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16128 0.16404 0.18145 0.18393 0.20037 Eigenvalues --- 0.21904 0.21939 0.23931 0.24609 0.24951 Eigenvalues --- 0.24998 0.24999 0.25000 0.25000 0.25000 Eigenvalues --- 0.25000 0.28496 0.29078 0.31739 0.33673 Eigenvalues --- 0.33720 0.33740 0.33755 0.33759 0.33770 Eigenvalues --- 0.33799 0.33811 0.33833 0.34394 0.37783 Eigenvalues --- 0.38585 0.40027 0.40708 0.40990 0.41142 Eigenvalues --- 0.41714 0.42521 0.44338 0.46339 0.47384 Eigenvalues --- 0.47893 0.48644 0.50741 0.52177 0.54159 Eigenvalues --- 0.59673 0.69020 0.69381 0.76825 0.87312 RFO step: Lambda=-1.43677582D-03 EMin= 3.03184803D-03 Quartic linear search produced a step of -0.02236. Iteration 1 RMS(Cart)= 0.06082753 RMS(Int)= 0.00153119 Iteration 2 RMS(Cart)= 0.00215375 RMS(Int)= 0.00015086 Iteration 3 RMS(Cart)= 0.00000234 RMS(Int)= 0.00015084 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00015084 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87498 0.00074 0.00004 0.00227 0.00231 2.87729 R2 2.62883 0.00125 -0.00008 0.00386 0.00378 2.63261 R3 2.75095 -0.00333 -0.00035 -0.00104 -0.00139 2.74956 R4 2.04165 -0.00020 -0.00005 0.00004 -0.00001 2.04164 R5 2.05302 0.00012 -0.00007 0.00142 0.00135 2.05437 R6 2.04658 0.00051 -0.00004 0.00185 0.00181 2.04839 R7 2.04521 -0.00043 -0.00001 -0.00130 -0.00132 2.04390 R8 1.78950 0.00014 -0.00025 0.00413 0.00389 1.79339 R9 2.59555 -0.00037 -0.00008 -0.00035 -0.00043 2.59512 R10 2.42431 -0.00037 -0.00001 -0.00075 -0.00076 2.42355 R11 2.25554 0.00144 0.00002 0.00126 0.00128 2.25682 R12 2.72672 -0.00205 -0.00002 -0.00412 -0.00414 2.72257 R13 2.64834 0.00276 -0.00043 0.01213 0.01169 2.66003 R14 2.59401 0.00229 0.00006 0.00316 0.00313 2.59714 R15 2.57713 -0.00020 -0.00024 0.00507 0.00465 2.58178 R16 2.40224 -0.00044 -0.00005 -0.00008 0.00001 2.40224 R17 2.60797 -0.00197 -0.00001 -0.00399 -0.00383 2.60415 R18 3.52419 0.00047 -0.00002 0.00098 0.00095 3.52515 R19 2.57768 0.00138 -0.00010 0.00375 0.00363 2.58132 R20 2.56079 -0.00019 0.00008 -0.00212 -0.00203 2.55875 R21 2.44322 0.00285 -0.00025 0.00794 0.00769 2.45091 R22 2.56835 -0.00250 -0.00027 -0.00092 -0.00120 2.56715 R23 1.88540 0.00014 -0.00001 0.00042 0.00041 1.88580 R24 2.50370 0.00130 -0.00020 0.00557 0.00536 2.50907 R25 2.04128 -0.00122 -0.00003 -0.00212 -0.00215 2.03913 R26 2.75258 -0.00037 -0.00013 0.00193 0.00181 2.75439 R27 2.75168 -0.00052 -0.00010 0.00151 0.00140 2.75308 R28 2.03904 0.00044 -0.00004 0.00146 0.00142 2.04046 R29 2.04412 0.00032 -0.00004 0.00148 0.00144 2.04556 R30 2.04381 0.00032 -0.00005 0.00154 0.00149 2.04531 R31 2.03779 0.00046 -0.00007 0.00200 0.00193 2.03972 R32 2.04814 0.00033 -0.00001 0.00096 0.00095 2.04909 R33 2.04767 0.00036 -0.00002 0.00115 0.00114 2.04880 A1 1.96626 0.00040 -0.00004 -0.00039 -0.00043 1.96583 A2 1.95110 0.00212 -0.00017 0.00749 0.00731 1.95841 A3 1.92266 -0.00117 0.00023 -0.00554 -0.00532 1.91734 A4 1.88283 -0.00324 -0.00042 -0.01607 -0.01647 1.86636 A5 1.91278 0.00172 0.00029 0.01418 0.01448 1.92726 A6 1.82229 0.00015 0.00012 0.00055 0.00070 1.82299 A7 1.92471 -0.00085 -0.00011 -0.00336 -0.00347 1.92124 A8 1.92616 -0.00027 0.00008 -0.00321 -0.00314 1.92302 A9 1.92109 0.00166 -0.00009 0.01240 0.01232 1.93340 A10 1.88843 0.00027 0.00005 -0.00220 -0.00217 1.88626 A11 1.89542 -0.00033 0.00007 -0.00264 -0.00257 1.89285 A12 1.90741 -0.00051 -0.00001 -0.00124 -0.00125 1.90616 A13 1.91863 -0.00151 -0.00019 -0.00663 -0.00682 1.91181 A14 2.04026 0.00264 0.00035 0.00215 0.00250 2.04275 A15 2.27746 -0.00050 -0.00040 0.00564 0.00525 2.28270 A16 2.10176 -0.00084 0.00031 -0.00872 -0.00840 2.09336 A17 1.90397 0.00134 0.00008 0.00308 0.00315 1.90712 A18 2.28227 -0.00050 0.00004 -0.00322 -0.00315 2.27911 A19 2.07525 0.00020 0.00002 -0.00039 -0.00034 2.07491 A20 1.92565 0.00030 -0.00006 0.00369 0.00351 1.92915 A21 1.82805 -0.00052 0.00015 -0.00665 -0.00621 1.82184 A22 1.99016 0.00027 -0.00025 0.00781 0.00708 1.99725 A23 2.13673 0.00294 0.00024 0.00725 0.00641 2.14314 A24 2.15384 -0.00307 0.00004 -0.01001 -0.01105 2.14280 A25 2.29708 -0.00528 -0.00022 -0.01291 -0.01341 2.28367 A26 2.16116 0.00396 0.00006 0.01445 0.01423 2.17539 A27 1.82477 0.00133 0.00016 -0.00099 -0.00069 1.82408 A28 1.85604 -0.00137 0.00000 -0.00354 -0.00360 1.85244 A29 2.24469 -0.00092 -0.00020 -0.00073 -0.00092 2.24377 A30 2.18243 0.00229 0.00019 0.00434 0.00454 2.18697 A31 1.97275 0.00112 0.00004 0.00363 0.00368 1.97643 A32 2.17174 0.00197 0.00054 -0.00209 -0.00155 2.17019 A33 1.96622 -0.00133 -0.00064 0.00465 0.00401 1.97023 A34 2.14522 -0.00064 0.00010 -0.00255 -0.00246 2.14276 A35 2.22448 -0.00110 -0.00005 -0.00304 -0.00311 2.22138 A36 2.02740 0.00001 0.00012 -0.00361 -0.00348 2.02392 A37 2.03130 0.00109 -0.00007 0.00665 0.00658 2.03788 A38 2.14005 -0.00102 0.00024 -0.00901 -0.00877 2.13127 A39 2.12789 0.00038 0.00004 0.00152 0.00156 2.12945 A40 2.01525 0.00064 -0.00028 0.00749 0.00721 2.02246 A41 2.08226 -0.00027 0.00006 -0.00293 -0.00287 2.07939 A42 2.08295 -0.00008 -0.00006 0.00040 0.00033 2.08329 A43 2.11797 0.00035 0.00000 0.00253 0.00253 2.12050 A44 1.90386 -0.00016 -0.00002 -0.00080 -0.00082 1.90304 A45 1.92943 -0.00008 0.00000 0.00037 0.00037 1.92981 A46 1.92878 -0.00004 -0.00000 0.00071 0.00071 1.92950 A47 1.90575 0.00016 0.00005 -0.00026 -0.00021 1.90554 A48 1.90545 0.00016 0.00006 -0.00039 -0.00033 1.90512 A49 1.89028 -0.00003 -0.00009 0.00036 0.00026 1.89054 A50 1.90491 0.00004 0.00003 0.00008 0.00011 1.90502 A51 1.94379 -0.00014 -0.00004 0.00078 0.00075 1.94454 A52 1.94209 -0.00019 -0.00004 0.00039 0.00035 1.94244 A53 1.88503 0.00017 0.00008 -0.00058 -0.00049 1.88454 A54 1.88401 0.00018 0.00010 -0.00082 -0.00072 1.88329 A55 1.90218 -0.00004 -0.00013 0.00006 -0.00007 1.90212 D1 1.05881 0.00152 0.00035 0.01698 0.01733 1.07613 D2 -3.13890 0.00114 0.00040 0.01008 0.01048 -3.12842 D3 -1.03213 0.00141 0.00039 0.01451 0.01489 -1.01724 D4 -3.10068 -0.00086 -0.00035 0.00125 0.00089 -3.09979 D5 -1.01521 -0.00123 -0.00030 -0.00566 -0.00596 -1.02116 D6 1.09156 -0.00096 -0.00031 -0.00123 -0.00154 1.09002 D7 -1.08289 -0.00013 -0.00017 0.00298 0.00281 -1.08008 D8 1.00259 -0.00051 -0.00012 -0.00393 -0.00404 0.99855 D9 3.10936 -0.00024 -0.00013 0.00050 0.00038 3.10974 D10 -1.00639 0.00059 -0.00078 0.02969 0.02893 -0.97746 D11 3.11485 -0.00005 -0.00024 0.03198 0.03168 -3.13666 D12 1.14084 0.00061 -0.00029 0.03264 0.03239 1.17323 D13 -1.27772 0.00020 -0.00276 0.07193 0.06921 -1.20851 D14 1.84024 0.00102 -0.00274 0.10784 0.10508 1.94532 D15 0.89336 -0.00018 -0.00322 0.06509 0.06189 0.95526 D16 -2.27186 0.00065 -0.00319 0.10100 0.09776 -2.17410 D17 2.92723 0.00041 -0.00302 0.07435 0.07137 2.99860 D18 -0.23799 0.00123 -0.00299 0.11026 0.10724 -0.13076 D19 -0.01500 0.00014 -0.00024 0.01079 0.01055 -0.00445 D20 3.12522 0.00022 -0.00016 0.01356 0.01340 3.13861 D21 3.13785 0.00007 -0.00002 0.00199 0.00198 3.13983 D22 -0.00405 0.00006 -0.00001 0.00170 0.00169 -0.00235 D23 -0.00640 0.00017 0.00007 0.00902 0.00915 0.00275 D24 -3.14037 -0.00005 0.00003 -0.00392 -0.00390 3.13892 D25 3.13578 0.00015 0.00001 0.00948 0.00958 -3.13782 D26 0.00182 -0.00007 -0.00003 -0.00345 -0.00347 -0.00165 D27 -3.14153 0.00005 -0.00006 0.00370 0.00367 -3.13786 D28 -0.00069 -0.00002 -0.00002 -0.00027 -0.00027 -0.00097 D29 -0.00046 0.00006 -0.00001 0.00330 0.00330 0.00284 D30 3.14037 -0.00000 0.00003 -0.00068 -0.00064 3.13973 D31 -3.14006 -0.00001 0.00004 -0.00102 -0.00095 -3.14101 D32 -0.00559 0.00020 0.00008 0.01105 0.01124 0.00565 D33 -3.13526 -0.00018 -0.00001 -0.00875 -0.00875 3.13917 D34 -0.00092 0.00003 0.00001 0.00229 0.00227 0.00135 D35 0.01249 -0.00036 -0.00003 -0.01917 -0.01931 -0.00681 D36 -3.13635 -0.00015 -0.00001 -0.00813 -0.00829 3.13855 D37 -0.00369 0.00003 -0.00009 0.00152 0.00138 -0.00231 D38 3.06506 0.00191 0.00048 0.07588 0.07676 -3.14136 D39 3.13263 0.00052 0.00009 0.01788 0.01758 -3.13297 D40 0.01131 -0.00023 0.00007 -0.01314 -0.01309 -0.00178 D41 0.06469 -0.00167 -0.00049 -0.05814 -0.05861 0.00608 D42 -3.05662 -0.00242 -0.00051 -0.08916 -0.08929 3.13728 D43 -3.13707 -0.00020 -0.00004 -0.00871 -0.00901 3.13711 D44 0.01144 -0.00039 -0.00005 -0.01923 -0.01954 -0.00810 D45 -0.01373 0.00034 -0.00002 0.01882 0.01880 0.00508 D46 3.13479 0.00015 -0.00004 0.00830 0.00827 -3.14013 D47 -0.00165 0.00003 0.00004 -0.00008 -0.00002 -0.00167 D48 3.13145 0.00026 0.00006 0.01282 0.01292 -3.13882 D49 -3.14002 0.00005 0.00001 0.00260 0.00260 -3.13741 D50 0.00309 -0.00004 -0.00007 -0.00045 -0.00052 0.00257 D51 3.14071 -0.00009 -0.00001 -0.00414 -0.00417 3.13654 D52 -0.00012 -0.00003 -0.00005 -0.00016 -0.00020 -0.00032 D53 -0.00223 -0.00001 0.00006 -0.00142 -0.00137 -0.00360 D54 3.14012 0.00006 0.00002 0.00256 0.00260 -3.14046 D55 -0.00181 -0.00002 -0.00005 -0.00014 -0.00019 -0.00200 D56 -3.14113 0.00002 -0.00009 0.00264 0.00255 -3.13858 D57 3.14007 -0.00001 -0.00006 0.00013 0.00008 3.14014 D58 0.00075 0.00002 -0.00010 0.00292 0.00282 0.00356 D59 -3.13083 0.00001 -0.00003 0.00147 0.00144 -3.12939 D60 1.05663 -0.00004 -0.00008 0.00207 0.00199 1.05862 D61 -1.03586 0.00008 0.00003 0.00093 0.00096 -1.03491 D62 0.00844 -0.00002 0.00001 -0.00137 -0.00136 0.00708 D63 -2.08728 -0.00007 -0.00004 -0.00077 -0.00081 -2.08810 D64 2.10341 0.00004 0.00007 -0.00191 -0.00184 2.10156 D65 -3.11520 0.00004 -0.00004 0.00299 0.00295 -3.11226 D66 1.08833 -0.00011 -0.00014 0.00317 0.00303 1.09136 D67 -1.03786 0.00017 0.00007 0.00227 0.00234 -1.03552 D68 0.02871 0.00007 -0.00008 0.00584 0.00576 0.03447 D69 -2.05094 -0.00008 -0.00018 0.00602 0.00584 -2.04510 D70 2.10605 0.00021 0.00003 0.00512 0.00515 2.11121 Item Value Threshold Converged? Maximum Force 0.005279 0.000450 NO RMS Force 0.001137 0.000300 NO Maximum Displacement 0.260658 0.001800 NO RMS Displacement 0.060679 0.001200 NO Predicted change in Energy=-7.760466D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.123305 -4.837138 2.139330 2 6 0 7.169383 -5.055123 3.645536 3 8 0 7.146975 -6.032158 1.423694 4 7 0 7.675523 0.072021 0.301430 5 8 0 3.241061 -0.779062 0.106634 6 6 0 4.291497 -1.254536 0.417693 7 6 0 4.615032 -2.550359 0.957927 8 7 0 3.805807 -3.616719 1.269163 9 6 0 4.604959 -4.501368 1.710445 10 7 0 5.928554 -4.118028 1.724012 11 6 0 5.921539 -2.845735 1.226911 12 7 0 7.015501 -2.066354 1.055969 13 6 0 6.739293 -0.896217 0.569544 14 7 0 5.473540 -0.504724 0.269446 15 1 0 7.940934 -4.199568 1.835642 16 1 0 8.093531 -5.556489 3.921987 17 1 0 7.135745 -4.102913 4.162392 18 6 0 8.899178 -0.212950 0.558791 19 35 0 4.034115 -6.180824 2.287839 20 1 0 5.363733 0.415175 -0.101475 21 1 0 6.338066 -5.666033 3.970382 22 1 0 7.913118 -6.534848 1.670608 23 7 0 9.885930 0.647268 0.336893 24 1 0 9.189907 -1.167350 0.969852 25 6 0 9.573410 1.957813 -0.219237 26 6 0 11.255310 0.259331 0.647969 27 1 0 10.489727 2.515365 -0.343308 28 1 0 8.911852 2.503375 0.441392 29 1 0 9.086480 1.856364 -1.180510 30 1 0 11.915011 1.086246 0.433375 31 1 0 11.573040 -0.586531 0.048515 32 1 0 11.364942 0.009068 1.697157 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522596 0.000000 3 O 1.393115 2.427279 0.000000 4 N 5.270926 6.142217 6.228952 0.000000 5 O 5.972575 6.800018 6.677263 4.519595 0.000000 6 C 4.880389 5.757227 5.656100 3.636606 1.194257 7 C 3.593953 4.474572 4.330196 4.083439 2.397915 8 N 3.640385 4.362316 4.125728 5.433048 3.118126 9 C 2.576577 3.259984 2.981173 5.685910 4.276447 10 N 1.455004 2.471854 2.288807 4.757326 4.581182 11 C 2.498486 3.505461 3.419607 3.527928 3.565267 12 N 2.977001 3.957560 3.984985 2.361696 4.099361 13 C 4.259407 5.190684 5.222420 1.373279 3.530672 14 N 4.998800 5.914389 5.889414 2.276486 2.255157 15 H 1.080389 2.145456 2.039230 4.546507 6.064499 16 H 2.153294 1.087126 2.713614 6.705468 7.805588 17 H 2.152214 1.083963 3.350012 5.712133 6.531901 18 C 5.199513 5.997234 6.138521 1.282488 5.704316 19 Br 3.372039 3.597285 3.233999 7.503583 5.879254 20 H 5.975290 6.872017 6.861064 2.371594 2.444432 21 H 2.157874 1.081584 2.697037 6.940841 6.957189 22 H 1.930214 2.577416 0.949020 6.751432 7.576491 23 N 6.399967 7.130498 7.300530 2.284309 6.800127 24 H 4.371026 5.133866 5.295838 2.067895 6.023678 25 C 7.598500 8.360448 8.510372 2.725671 6.906180 26 C 6.728419 7.343271 7.554005 3.601396 8.099352 27 H 8.459053 9.178662 9.346466 3.782243 7.974889 28 H 7.743708 8.392474 8.771261 2.731223 6.560818 29 H 7.725177 8.644920 8.530670 2.714926 6.539964 30 H 7.807509 8.399724 8.624764 4.361114 8.878262 31 H 6.499178 7.231810 7.150946 3.960846 8.334407 32 H 6.455441 6.858930 7.373089 3.945103 8.315550 6 7 8 9 10 6 C 0.000000 7 C 1.440724 0.000000 8 N 2.557499 1.374350 0.000000 9 C 3.508758 2.091129 1.271212 0.000000 10 N 3.547676 2.183989 2.228060 1.378055 0.000000 11 C 2.417392 1.366221 2.252227 2.169864 1.365975 12 N 2.913184 2.450739 3.570885 3.488315 2.416009 13 C 2.478540 2.720205 4.061520 4.342137 3.517124 14 N 1.407629 2.322857 3.669507 4.336367 3.921577 15 H 4.899202 3.814695 4.214249 3.351938 2.017123 16 H 6.726243 5.470139 5.402293 4.263137 3.404026 17 H 5.497797 4.362684 4.437978 3.546222 2.720889 18 C 4.726048 4.896600 6.167066 6.177147 5.043013 19 Br 5.275605 3.909784 2.768476 1.865428 2.856909 20 H 2.051136 3.236863 4.534529 5.294449 4.919487 21 H 6.022570 4.663813 4.231857 3.076917 2.758659 22 H 6.524387 5.221249 5.054369 3.883368 3.127678 23 N 5.909405 6.196198 7.484558 7.502250 6.347674 24 H 4.930203 4.779366 5.922629 5.717159 4.462251 25 C 6.214779 6.804031 8.158186 8.374378 7.346906 26 C 7.130183 7.216905 8.420496 8.247441 6.978071 27 H 7.294473 7.865546 9.212888 9.385251 8.311438 28 H 5.955681 6.653548 8.013267 8.320231 7.374833 29 H 5.934965 6.632192 7.990059 8.298338 7.355413 30 H 7.974802 8.172499 9.411462 9.289198 8.036658 31 H 7.321434 7.286805 8.426265 8.163463 6.865784 32 H 7.298449 7.256612 8.394644 8.126597 6.825537 11 12 13 14 15 11 C 0.000000 12 N 1.354034 0.000000 13 C 2.213927 1.296966 0.000000 14 N 2.568614 2.331298 1.358476 0.000000 15 H 2.506267 2.452533 3.736184 4.710932 0.000000 16 H 4.396495 4.642979 5.898387 6.762081 2.493463 17 H 3.416408 3.716436 4.832042 5.555621 2.464029 18 C 4.030418 2.688965 2.265407 3.450196 4.294380 19 Br 3.976275 5.228292 6.180421 6.193866 4.403760 20 H 3.565009 3.197812 2.015485 0.997925 5.629409 21 H 3.956540 4.680856 5.871782 6.409637 3.045787 22 H 4.215781 4.599015 5.863819 6.654112 2.341270 23 N 5.358134 4.014994 3.512520 4.560792 5.433330 24 H 3.683108 2.354500 2.497853 3.839405 3.391736 25 C 6.204964 4.935886 4.098766 4.807477 6.693343 26 C 6.198848 4.852964 4.662172 5.844307 5.681323 27 H 7.216323 5.917801 5.151499 5.887150 7.505630 28 H 6.178348 4.985607 4.036540 4.571675 6.914915 29 H 6.158105 4.967747 4.018542 4.553070 6.861761 30 H 7.211926 5.859327 5.544073 6.637063 6.760138 31 H 6.199362 4.896530 4.871600 6.104049 5.425869 32 H 6.164549 4.861702 4.846409 6.083664 5.427304 16 17 18 19 20 16 H 0.000000 17 H 1.757280 0.000000 18 C 6.365026 5.588152 0.000000 19 Br 4.420305 4.177532 7.891386 0.000000 20 H 7.700702 6.460163 3.651009 7.140302 0.000000 21 H 1.759545 1.765362 6.923464 2.898992 7.383118 22 H 2.461391 3.567578 6.494216 3.943727 7.611995 23 N 7.385945 6.690454 1.327740 9.201781 4.549319 24 H 5.402007 4.798898 1.079061 7.311239 4.276884 25 C 8.706578 7.865957 2.402526 10.159067 4.484973 26 C 7.385107 6.953500 2.404654 9.813788 5.941097 27 H 9.438714 8.680560 3.284408 11.145473 5.544826 28 H 8.817346 7.787390 2.718891 10.130005 4.152642 29 H 9.053829 8.238019 2.709670 10.107039 4.135237 30 H 8.420216 7.979619 3.286166 10.879240 6.607241 31 H 7.198004 6.998466 2.747633 9.651223 6.291376 32 H 6.828428 6.393112 2.724915 9.612737 6.278098 21 22 23 24 25 21 H 0.000000 22 H 2.919691 0.000000 23 N 8.102305 7.566609 0.000000 24 H 6.113455 5.561590 2.043997 0.000000 25 C 9.281346 8.857391 1.457559 3.365657 0.000000 26 C 8.386159 7.640478 1.456868 2.530793 2.542769 27 H 10.138021 9.622948 2.077747 4.120232 1.079766 28 H 9.263767 9.175942 2.098781 3.718979 1.082464 29 H 9.522181 8.939692 2.098463 3.711819 1.082330 30 H 9.444893 8.696376 2.078263 3.576687 2.582368 31 H 8.281748 7.169986 2.109919 2.620217 3.247136 32 H 7.914784 7.398556 2.108339 2.577540 3.267990 26 27 28 29 30 26 C 0.000000 27 H 2.580395 0.000000 28 H 3.251185 1.762267 0.000000 29 H 3.255407 1.761900 1.754902 0.000000 30 H 1.079372 2.162649 3.320735 3.346385 0.000000 31 H 1.084333 3.308905 4.096803 3.696109 1.750212 32 H 1.084181 3.348287 3.717010 4.109119 1.749295 31 32 31 H 0.000000 32 H 1.765238 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.255585 -1.933796 -0.052094 2 6 0 -1.760900 -2.542651 1.248773 3 8 0 -2.010749 -2.324313 -1.155721 4 7 0 3.358922 0.612993 0.001306 5 8 0 0.210456 3.855051 0.055702 6 6 0 0.360472 2.670408 0.036560 7 6 0 -0.603449 1.599855 0.015181 8 7 0 -1.977359 1.633817 0.007778 9 6 0 -2.323376 0.410757 -0.011584 10 7 0 -1.271278 -0.479207 -0.021082 11 6 0 -0.155892 0.309226 -0.007814 12 7 0 1.120973 -0.141330 -0.012476 13 6 0 2.000147 0.811994 0.006157 14 7 0 1.658828 2.126659 0.030981 15 1 0 -0.215891 -2.189152 -0.197245 16 1 0 -1.694900 -3.626839 1.203806 17 1 0 -1.154829 -2.203048 2.080833 18 6 0 3.770249 -0.601586 -0.018303 19 35 0 -4.107285 -0.134362 -0.029929 20 1 0 2.408375 2.785361 0.042930 21 1 0 -2.792484 -2.269488 1.424956 22 1 0 -2.028724 -3.271674 -1.208841 23 7 0 5.061804 -0.909332 -0.026761 24 1 0 3.087021 -1.436734 -0.028408 25 6 0 6.047377 0.164449 -0.015941 26 6 0 5.462318 -2.309820 -0.052974 27 1 0 7.037409 -0.265979 -0.037452 28 1 0 5.941639 0.768764 0.875883 29 1 0 5.920098 0.805725 -0.878498 30 1 0 6.539657 -2.370540 -0.026572 31 1 0 5.121440 -2.802212 -0.956926 32 1 0 5.077093 -2.845652 0.807219 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5686693 0.1453985 0.1186593 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.7896994348 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.35D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999997 -0.000898 0.001219 0.002151 Ang= -0.30 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.57157588 A.U. after 13 cycles NFock= 13 Conv=0.79D-08 -V/T= 2.0038 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 -0.003058420 0.000464497 -0.000605742 2 6 -0.000436194 -0.000351607 0.000454552 3 8 0.002833101 -0.000752723 -0.000619464 4 7 -0.001762142 -0.001383579 0.000526979 5 8 -0.000419547 -0.000749690 0.000450767 6 6 0.001903774 -0.000014850 -0.000169437 7 6 0.002221369 0.002634203 -0.001036372 8 7 0.001808250 -0.001055651 0.001177400 9 6 -0.001898389 -0.001922158 0.000038584 10 7 0.001628430 0.001723612 0.000256043 11 6 -0.000827903 0.000163848 -0.000769865 12 7 -0.001767223 0.001416622 -0.000115635 13 6 -0.001453144 -0.001212055 -0.000099983 14 7 0.002867161 -0.000657275 0.000700481 15 1 -0.000227712 0.000222392 0.000407432 16 1 -0.000059342 0.000253384 -0.000549077 17 1 0.000045148 -0.000065201 0.000014858 18 6 0.000899007 0.002007676 -0.000698486 19 35 -0.000665518 -0.000561522 0.000429203 20 1 -0.000135339 -0.000172970 0.000012909 21 1 0.000590367 0.000389411 0.000110037 22 1 -0.001814618 0.000462877 -0.000117553 23 7 0.000024643 -0.000757274 0.000521536 24 1 0.000275417 0.000541280 -0.000255794 25 6 0.000534025 -0.000486568 0.000082476 26 6 -0.000394313 0.000945150 -0.000469494 27 1 0.000070311 -0.000177821 0.000097662 28 1 0.000039896 -0.000334931 -0.000186035 29 1 -0.000003838 -0.000115564 0.000383028 30 1 -0.000273441 -0.000076733 0.000060288 31 1 -0.000240900 -0.000118003 0.000081722 32 1 -0.000302913 -0.000258777 -0.000113018 ------------------------------------------------------------------- Cartesian Forces: Max 0.003058420 RMS 0.000994649 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003324254 RMS 0.000717370 Search for a local minimum. Step number 5 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 3 4 5 DE= -7.32D-04 DEPred=-7.76D-04 R= 9.43D-01 TightC=F SS= 1.41D+00 RLast= 2.68D-01 DXNew= 1.7335D+00 8.0396D-01 Trust test= 9.43D-01 RLast= 2.68D-01 DXMaxT set to 1.03D+00 ITU= 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00303 0.00680 0.01268 0.01294 0.01355 Eigenvalues --- 0.01407 0.01617 0.01636 0.01751 0.01801 Eigenvalues --- 0.01859 0.01913 0.02042 0.02129 0.02235 Eigenvalues --- 0.02379 0.02405 0.02511 0.02602 0.02687 Eigenvalues --- 0.03406 0.05170 0.05540 0.05635 0.05872 Eigenvalues --- 0.07481 0.07655 0.07766 0.07772 0.08522 Eigenvalues --- 0.15772 0.15976 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16078 Eigenvalues --- 0.16147 0.16404 0.18139 0.18451 0.20312 Eigenvalues --- 0.21748 0.22385 0.24299 0.24880 0.24999 Eigenvalues --- 0.25000 0.25000 0.25000 0.25000 0.25000 Eigenvalues --- 0.27731 0.28622 0.29266 0.31541 0.33673 Eigenvalues --- 0.33720 0.33742 0.33748 0.33758 0.33769 Eigenvalues --- 0.33794 0.33804 0.33831 0.34397 0.37883 Eigenvalues --- 0.38582 0.40676 0.40896 0.40950 0.41164 Eigenvalues --- 0.41658 0.42856 0.44334 0.45686 0.47181 Eigenvalues --- 0.47956 0.48655 0.50560 0.52294 0.56627 Eigenvalues --- 0.60376 0.69062 0.72015 0.76917 0.87499 RFO step: Lambda=-3.61748301D-04 EMin= 3.02863063D-03 Quartic linear search produced a step of 0.00557. Iteration 1 RMS(Cart)= 0.03174997 RMS(Int)= 0.00055554 Iteration 2 RMS(Cart)= 0.00068927 RMS(Int)= 0.00000862 Iteration 3 RMS(Cart)= 0.00000040 RMS(Int)= 0.00000861 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87729 0.00000 0.00001 0.00059 0.00060 2.87789 R2 2.63261 0.00064 0.00002 0.00277 0.00279 2.63540 R3 2.74956 -0.00231 -0.00001 -0.00467 -0.00467 2.74489 R4 2.04164 -0.00016 -0.00000 -0.00020 -0.00020 2.04144 R5 2.05437 -0.00031 0.00001 -0.00029 -0.00028 2.05409 R6 2.04839 -0.00005 0.00001 0.00044 0.00045 2.04884 R7 2.04390 -0.00064 -0.00001 -0.00203 -0.00204 2.04186 R8 1.79339 -0.00174 0.00002 -0.00154 -0.00152 1.79187 R9 2.59512 -0.00093 -0.00000 -0.00185 -0.00185 2.59327 R10 2.42355 0.00024 -0.00000 -0.00002 -0.00002 2.42353 R11 2.25682 -0.00005 0.00001 0.00045 0.00046 2.25728 R12 2.72257 -0.00178 -0.00002 -0.00505 -0.00507 2.71750 R13 2.66003 -0.00106 0.00007 0.00180 0.00187 2.66190 R14 2.59714 0.00138 0.00002 0.00338 0.00340 2.60054 R15 2.58178 -0.00272 0.00003 -0.00272 -0.00270 2.57908 R16 2.40224 -0.00123 0.00000 -0.00128 -0.00128 2.40096 R17 2.60415 0.00108 -0.00002 0.00237 0.00235 2.60650 R18 3.52515 0.00084 0.00001 0.00476 0.00477 3.52992 R19 2.58132 -0.00007 0.00002 0.00076 0.00079 2.58210 R20 2.55875 -0.00079 -0.00001 -0.00222 -0.00223 2.55652 R21 2.45091 -0.00164 0.00004 0.00014 0.00018 2.45109 R22 2.56715 -0.00332 -0.00001 -0.00679 -0.00680 2.56035 R23 1.88580 -0.00015 0.00000 -0.00021 -0.00020 1.88560 R24 2.50907 -0.00138 0.00003 -0.00068 -0.00065 2.50842 R25 2.03913 -0.00050 -0.00001 -0.00169 -0.00170 2.03743 R26 2.75439 -0.00128 0.00001 -0.00231 -0.00230 2.75209 R27 2.75308 -0.00136 0.00001 -0.00258 -0.00257 2.75051 R28 2.04046 -0.00004 0.00001 0.00037 0.00037 2.04084 R29 2.04556 -0.00031 0.00001 -0.00033 -0.00032 2.04524 R30 2.04531 -0.00033 0.00001 -0.00037 -0.00036 2.04495 R31 2.03972 -0.00024 0.00001 0.00001 0.00002 2.03974 R32 2.04909 -0.00002 0.00001 0.00025 0.00026 2.04935 R33 2.04880 -0.00008 0.00001 0.00016 0.00016 2.04897 A1 1.96583 0.00012 -0.00000 0.00324 0.00320 1.96903 A2 1.95841 0.00033 0.00004 0.00621 0.00623 1.96463 A3 1.91734 -0.00036 -0.00003 -0.00838 -0.00840 1.90894 A4 1.86636 0.00025 -0.00009 0.00399 0.00386 1.87022 A5 1.92726 -0.00010 0.00008 -0.00126 -0.00117 1.92609 A6 1.82299 -0.00025 0.00000 -0.00405 -0.00402 1.81897 A7 1.92124 -0.00086 -0.00002 -0.00634 -0.00636 1.91488 A8 1.92302 0.00009 -0.00002 -0.00050 -0.00053 1.92249 A9 1.93340 0.00062 0.00007 0.00746 0.00753 1.94094 A10 1.88626 0.00020 -0.00001 -0.00107 -0.00110 1.88516 A11 1.89285 0.00014 -0.00001 0.00023 0.00023 1.89308 A12 1.90616 -0.00020 -0.00001 0.00005 0.00003 1.90619 A13 1.91181 0.00041 -0.00004 0.00144 0.00140 1.91321 A14 2.04275 0.00158 0.00001 0.00537 0.00539 2.04814 A15 2.28270 -0.00109 0.00003 -0.00227 -0.00224 2.28046 A16 2.09336 0.00106 -0.00005 0.00133 0.00128 2.09464 A17 1.90712 0.00003 0.00002 0.00094 0.00095 1.90807 A18 2.27911 0.00010 -0.00002 -0.00006 -0.00007 2.27904 A19 2.07491 0.00023 -0.00000 0.00106 0.00106 2.07597 A20 1.92915 -0.00034 0.00002 -0.00099 -0.00098 1.92817 A21 1.82184 0.00144 -0.00003 0.00379 0.00374 1.82558 A22 1.99725 -0.00225 0.00004 -0.00549 -0.00546 1.99178 A23 2.14314 0.00042 0.00004 0.00121 0.00124 2.14438 A24 2.14280 0.00183 -0.00006 0.00430 0.00423 2.14702 A25 2.28367 -0.00035 -0.00007 -0.00339 -0.00348 2.28018 A26 2.17539 -0.00082 0.00008 -0.00052 -0.00046 2.17493 A27 1.82408 0.00117 -0.00000 0.00380 0.00378 1.82785 A28 1.85244 -0.00002 -0.00002 -0.00108 -0.00110 1.85134 A29 2.24377 -0.00047 -0.00001 -0.00179 -0.00180 2.24198 A30 2.18697 0.00048 0.00003 0.00286 0.00289 2.18986 A31 1.97643 0.00007 0.00002 0.00093 0.00095 1.97738 A32 2.17019 0.00150 -0.00001 0.00332 0.00331 2.17351 A33 1.97023 -0.00184 0.00002 -0.00392 -0.00390 1.96633 A34 2.14276 0.00034 -0.00001 0.00060 0.00058 2.14334 A35 2.22138 -0.00021 -0.00002 -0.00176 -0.00177 2.21960 A36 2.02392 -0.00004 -0.00002 -0.00149 -0.00151 2.02241 A37 2.03788 0.00025 0.00004 0.00325 0.00328 2.04117 A38 2.13127 0.00148 -0.00005 0.00354 0.00349 2.13476 A39 2.12945 -0.00031 0.00001 -0.00044 -0.00043 2.12902 A40 2.02246 -0.00117 0.00004 -0.00309 -0.00305 2.01941 A41 2.07939 0.00059 -0.00002 0.00130 0.00128 2.08068 A42 2.08329 -0.00026 0.00000 -0.00078 -0.00078 2.08250 A43 2.12050 -0.00032 0.00001 -0.00053 -0.00052 2.11998 A44 1.90304 -0.00018 -0.00000 -0.00078 -0.00079 1.90226 A45 1.92981 -0.00016 0.00000 -0.00100 -0.00100 1.92880 A46 1.92950 -0.00016 0.00000 -0.00089 -0.00088 1.92861 A47 1.90554 0.00024 -0.00000 0.00155 0.00155 1.90709 A48 1.90512 0.00025 -0.00000 0.00164 0.00164 1.90676 A49 1.89054 0.00002 0.00000 -0.00044 -0.00044 1.89010 A50 1.90502 -0.00003 0.00000 0.00059 0.00059 1.90561 A51 1.94454 -0.00022 0.00000 -0.00135 -0.00135 1.94319 A52 1.94244 -0.00030 0.00000 -0.00199 -0.00199 1.94044 A53 1.88454 0.00027 -0.00000 0.00206 0.00206 1.88660 A54 1.88329 0.00029 -0.00000 0.00200 0.00200 1.88529 A55 1.90212 0.00003 -0.00000 -0.00107 -0.00108 1.90104 D1 1.07613 -0.00022 0.00010 0.00209 0.00218 1.07831 D2 -3.12842 -0.00045 0.00006 -0.00350 -0.00344 -3.13186 D3 -1.01724 -0.00023 0.00008 0.00114 0.00122 -1.01602 D4 -3.09979 0.00043 0.00000 0.01416 0.01416 -3.08563 D5 -1.02116 0.00020 -0.00003 0.00857 0.00855 -1.01262 D6 1.09002 0.00042 -0.00001 0.01320 0.01321 1.10323 D7 -1.08008 0.00009 0.00002 0.00762 0.00762 -1.07246 D8 0.99855 -0.00015 -0.00002 0.00203 0.00200 1.00056 D9 3.10974 0.00007 0.00000 0.00666 0.00666 3.11640 D10 -0.97746 0.00074 0.00016 0.04176 0.04193 -0.93553 D11 -3.13666 0.00008 0.00018 0.02903 0.02920 -3.10746 D12 1.17323 0.00029 0.00018 0.03226 0.03244 1.20568 D13 -1.20851 -0.00003 0.00039 0.03865 0.03904 -1.16948 D14 1.94532 0.00006 0.00059 0.05219 0.05275 1.99807 D15 0.95526 0.00051 0.00035 0.04950 0.04987 1.00512 D16 -2.17410 0.00059 0.00054 0.06304 0.06358 -2.11051 D17 2.99860 0.00039 0.00040 0.04793 0.04834 3.04694 D18 -0.13076 0.00047 0.00060 0.06147 0.06206 -0.06870 D19 -0.00445 0.00023 0.00006 0.01560 0.01566 0.01121 D20 3.13861 0.00013 0.00007 0.01063 0.01070 -3.13388 D21 3.13983 0.00006 0.00001 0.00205 0.00206 -3.14129 D22 -0.00235 0.00010 0.00001 0.00343 0.00344 0.00109 D23 0.00275 0.00001 0.00005 0.00236 0.00240 0.00515 D24 3.13892 0.00013 -0.00002 0.00518 0.00515 -3.13911 D25 -3.13782 -0.00013 0.00005 -0.00295 -0.00289 -3.14071 D26 -0.00165 0.00000 -0.00002 -0.00013 -0.00014 -0.00179 D27 -3.13786 -0.00012 0.00002 -0.00367 -0.00365 -3.14151 D28 -0.00097 -0.00011 -0.00000 -0.00412 -0.00412 -0.00509 D29 0.00284 -0.00000 0.00002 0.00097 0.00098 0.00382 D30 3.13973 0.00001 -0.00000 0.00051 0.00051 3.14024 D31 -3.14101 -0.00009 -0.00001 -0.00467 -0.00470 3.13747 D32 0.00565 -0.00021 0.00006 -0.00731 -0.00727 -0.00162 D33 3.13917 0.00005 -0.00005 0.00007 0.00001 3.13918 D34 0.00135 0.00006 0.00001 0.00210 0.00210 0.00345 D35 -0.00681 0.00016 -0.00011 0.00235 0.00224 -0.00458 D36 3.13855 0.00017 -0.00005 0.00438 0.00433 -3.14031 D37 -0.00231 0.00020 0.00001 0.00978 0.00978 0.00747 D38 -3.14136 -0.00018 0.00043 0.00526 0.00569 -3.13567 D39 -3.13297 -0.00003 0.00010 0.00297 0.00307 -3.12990 D40 -0.00178 -0.00011 -0.00007 -0.00854 -0.00861 -0.01039 D41 0.00608 0.00035 -0.00033 0.00748 0.00716 0.01324 D42 3.13728 0.00027 -0.00050 -0.00403 -0.00453 3.13275 D43 3.13711 -0.00010 -0.00005 -0.00739 -0.00745 3.12966 D44 -0.00810 -0.00011 -0.00011 -0.00934 -0.00948 -0.01757 D45 0.00508 -0.00003 0.00010 0.00323 0.00335 0.00843 D46 -3.14013 -0.00004 0.00005 0.00127 0.00132 -3.13881 D47 -0.00167 -0.00011 -0.00000 -0.00449 -0.00448 -0.00615 D48 -3.13882 -0.00010 0.00007 -0.00208 -0.00200 -3.14082 D49 -3.13741 0.00000 0.00001 -0.00043 -0.00043 -3.13784 D50 0.00257 0.00011 -0.00000 0.00502 0.00502 0.00759 D51 3.13654 0.00004 -0.00002 0.00110 0.00108 3.13762 D52 -0.00032 0.00003 -0.00000 0.00157 0.00156 0.00125 D53 -0.00360 -0.00006 -0.00001 -0.00379 -0.00379 -0.00740 D54 -3.14046 -0.00007 0.00001 -0.00332 -0.00331 3.13942 D55 -0.00200 0.00001 -0.00000 -0.00004 -0.00004 -0.00204 D56 -3.13858 0.00004 0.00001 0.00288 0.00290 -3.13569 D57 3.14014 -0.00003 0.00000 -0.00134 -0.00134 3.13880 D58 0.00356 0.00001 0.00002 0.00158 0.00159 0.00516 D59 -3.12939 0.00000 0.00001 0.00088 0.00089 -3.12849 D60 1.05862 -0.00008 0.00001 0.00008 0.00009 1.05871 D61 -1.03491 0.00010 0.00001 0.00186 0.00187 -1.03304 D62 0.00708 -0.00003 -0.00001 -0.00210 -0.00211 0.00497 D63 -2.08810 -0.00011 -0.00000 -0.00291 -0.00291 -2.09101 D64 2.10156 0.00006 -0.00001 -0.00113 -0.00114 2.10043 D65 -3.11226 0.00005 0.00002 0.00412 0.00414 -3.10811 D66 1.09136 -0.00012 0.00002 0.00202 0.00204 1.09341 D67 -1.03552 0.00020 0.00001 0.00575 0.00576 -1.02976 D68 0.03447 0.00008 0.00003 0.00711 0.00714 0.04161 D69 -2.04510 -0.00009 0.00003 0.00501 0.00504 -2.04005 D70 2.11121 0.00023 0.00003 0.00874 0.00876 2.11997 Item Value Threshold Converged? Maximum Force 0.003324 0.000450 NO RMS Force 0.000717 0.000300 NO Maximum Displacement 0.155408 0.001800 NO RMS Displacement 0.031653 0.001200 NO Predicted change in Energy=-1.852765D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.116615 -4.829873 2.161970 2 6 0 7.136288 -5.106171 3.659481 3 8 0 7.183367 -5.993621 1.396386 4 7 0 7.679920 0.072459 0.298817 5 8 0 3.251721 -0.783191 0.094103 6 6 0 4.302412 -1.256188 0.408994 7 6 0 4.622217 -2.545666 0.959387 8 7 0 3.809621 -3.609771 1.277428 9 6 0 4.602953 -4.496547 1.722975 10 7 0 5.926677 -4.109512 1.743673 11 6 0 5.925497 -2.840404 1.237326 12 7 0 7.018765 -2.061744 1.068013 13 6 0 6.745984 -0.896080 0.568829 14 7 0 5.485516 -0.506191 0.260766 15 1 0 7.930939 -4.166546 1.909212 16 1 0 8.068876 -5.594656 3.929994 17 1 0 7.072842 -4.175404 4.211875 18 6 0 8.906585 -0.205813 0.549016 19 35 0 4.024407 -6.175873 2.301241 20 1 0 5.375397 0.410691 -0.117177 21 1 0 6.317008 -5.748271 3.949271 22 1 0 7.934386 -6.507444 1.662968 23 7 0 9.889779 0.657667 0.326040 24 1 0 9.204650 -1.159377 0.954362 25 6 0 9.573470 1.968424 -0.224233 26 6 0 11.260196 0.270639 0.627151 27 1 0 10.489141 2.527000 -0.350177 28 1 0 8.913483 2.509833 0.441086 29 1 0 9.081863 1.868358 -1.183052 30 1 0 11.917406 1.100821 0.417534 31 1 0 11.575364 -0.570284 0.019209 32 1 0 11.372654 0.009737 1.673534 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522914 0.000000 3 O 1.394591 2.431334 0.000000 4 N 5.274610 6.197403 6.184542 0.000000 5 O 5.965661 6.818352 6.656002 4.514752 0.000000 6 C 4.874822 5.780907 5.631884 3.631116 1.194501 7 C 3.589683 4.490795 4.317273 4.079274 2.394430 8 N 3.634181 4.356615 4.132681 5.430995 3.114653 9 C 2.573387 3.246456 3.001070 5.689619 4.274115 10 N 1.452531 2.475239 2.291232 4.759238 4.576120 11 C 2.496341 3.530800 3.398576 3.527544 3.562044 12 N 2.978063 3.999757 3.948998 2.362966 4.095585 13 C 4.260304 5.237302 5.182768 1.372301 3.528169 14 N 4.996928 5.952825 5.855273 2.269734 2.257065 15 H 1.080283 2.139580 2.039622 4.541536 6.052833 16 H 2.148861 1.086976 2.713387 6.741879 7.814681 17 H 2.152291 1.084201 3.353373 5.807314 6.562325 18 C 5.214167 6.068150 6.098052 1.282476 5.702438 19 Br 3.375332 3.559899 3.291049 7.510934 5.877884 20 H 5.974099 6.913728 6.824576 2.366068 2.445402 21 H 2.162700 1.080505 2.707027 7.004587 6.993591 22 H 1.931838 2.566435 0.948215 6.724641 7.560143 23 N 6.416710 7.205232 7.260162 2.286195 6.796593 24 H 4.392123 5.212770 5.258412 2.066872 6.026518 25 C 7.612289 8.430479 8.469543 2.730165 6.901973 26 C 6.748344 7.423727 7.513536 3.600758 8.095083 27 H 8.473983 9.251177 9.304817 3.786514 7.970884 28 H 7.749932 8.456949 8.730099 2.735454 6.558959 29 H 7.740650 8.710880 8.489317 2.717836 6.530880 30 H 7.827118 8.479154 8.584893 4.362099 8.874018 31 H 6.528090 7.316505 7.113287 3.958003 8.326702 32 H 6.463301 6.932769 7.325793 3.940821 8.311010 6 7 8 9 10 6 C 0.000000 7 C 1.438041 0.000000 8 N 2.556633 1.376147 0.000000 9 C 3.509530 2.095083 1.270535 0.000000 10 N 3.544159 2.182277 2.224646 1.379301 0.000000 11 C 2.414597 1.364793 2.251769 2.174348 1.366391 12 N 2.908917 2.447329 3.569152 3.491903 2.417132 13 C 2.475130 2.717362 4.060598 4.346032 3.518191 14 N 1.408617 2.322243 3.670753 4.340497 3.921422 15 H 4.887437 3.804873 4.206472 3.349488 2.011894 16 H 6.738397 5.477253 5.396029 4.253163 3.402157 17 H 5.537058 4.386375 4.424876 3.521095 2.722142 18 C 4.724543 4.898890 6.172241 6.189493 5.054297 19 Br 5.278370 3.916165 2.771138 1.867952 2.863453 20 H 2.051009 3.235168 4.534389 5.297529 4.919238 21 H 6.063907 4.697702 4.242513 3.075905 2.775348 22 H 6.506872 5.211638 5.055575 3.891754 3.128496 23 N 5.906640 6.197554 7.488958 7.514511 6.359391 24 H 4.933430 4.787537 5.934234 5.736121 4.480113 25 C 6.211534 6.803887 8.160466 8.384122 7.356157 26 C 7.126679 7.218360 8.425646 8.261100 6.991335 27 H 7.291397 7.865602 9.215478 9.395498 8.321272 28 H 5.953647 6.651441 8.012392 8.325459 7.377903 29 H 5.927947 6.630392 7.991270 8.307686 7.365856 30 H 7.971430 8.173754 9.416223 9.302469 8.049537 31 H 7.315615 7.289192 8.433763 8.181251 6.885316 32 H 7.293144 7.253171 8.393878 8.132520 6.828747 11 12 13 14 15 11 C 0.000000 12 N 1.352854 0.000000 13 C 2.213703 1.297061 0.000000 14 N 2.568229 2.328571 1.354878 0.000000 15 H 2.496373 2.443332 3.727827 4.700603 0.000000 16 H 4.407997 4.666384 5.926558 6.784502 2.478323 17 H 3.456381 3.788714 4.912493 5.620853 2.457369 18 C 4.037539 2.697722 2.268273 3.446307 4.299933 19 Br 3.983895 5.235751 6.187443 6.200296 4.410450 20 H 3.564674 3.196602 2.014140 0.997817 5.620333 21 H 3.995450 4.731236 5.929180 6.463424 3.044416 22 H 4.202855 4.577837 5.839251 6.631604 2.353816 23 N 5.364930 4.023486 3.515185 4.555915 5.442106 24 H 3.695776 2.367546 2.502599 3.839230 3.402520 25 C 6.210369 4.943548 4.102318 4.803157 6.699803 26 C 6.205636 4.860464 4.662912 5.838205 5.693527 27 H 7.221914 5.925482 5.154927 5.883007 7.513508 28 H 6.179570 4.988216 4.039135 4.569450 6.906144 29 H 6.163871 4.976883 4.020887 4.544976 6.877993 30 H 7.218607 5.866994 5.545639 6.631461 6.772162 31 H 6.209529 4.907855 4.871462 6.094974 5.457751 32 H 6.163205 4.859427 4.842205 6.076223 5.416852 16 17 18 19 20 16 H 0.000000 17 H 1.756650 0.000000 18 C 6.416572 5.704103 0.000000 19 Br 4.398680 4.116474 7.908702 0.000000 20 H 7.726488 6.531024 3.645982 7.145400 0.000000 21 H 1.758696 1.764698 6.999034 2.855673 7.440124 22 H 2.447585 3.560561 6.472759 3.975584 7.588012 23 N 7.442830 6.811271 1.327398 9.219614 4.542806 24 H 5.460409 4.924673 1.078161 7.335819 4.275101 25 C 8.759086 7.979900 2.402073 10.173480 4.479042 26 C 7.449495 7.081770 2.402622 9.834467 5.933338 27 H 9.494148 8.798047 3.283489 11.160771 5.539263 28 H 8.863892 7.892984 2.717799 10.139266 4.151639 29 H 9.103074 8.346763 2.707945 10.120663 4.122957 30 H 8.483983 8.105885 3.284756 10.899452 6.600006 31 H 7.268701 7.130781 2.745162 9.677151 6.278575 32 H 6.885911 6.515132 2.718914 9.625618 6.271722 21 22 23 24 25 21 H 0.000000 22 H 2.901626 0.000000 23 N 8.180986 7.546506 0.000000 24 H 6.194022 5.542339 2.041039 0.000000 25 C 9.357888 8.836768 1.456343 3.362774 0.000000 26 C 8.467518 7.620783 1.455507 2.525328 2.540152 27 H 10.216265 9.602120 2.076273 4.115959 1.079964 28 H 9.340520 9.152208 2.096881 3.716360 1.082292 29 H 9.591569 8.920235 2.096631 3.708206 1.082139 30 H 9.526158 8.677629 2.077505 3.571516 2.580433 31 H 8.361055 7.156014 2.107891 2.615689 3.242203 32 H 7.993321 7.368544 2.105818 2.565984 3.267267 26 27 28 29 30 26 C 0.000000 27 H 2.576987 0.000000 28 H 3.248949 1.763262 0.000000 29 H 3.251872 1.762930 1.754328 0.000000 30 H 1.079382 2.159469 3.318045 3.345338 0.000000 31 H 1.084470 3.302952 4.092763 3.689167 1.751641 32 H 1.084267 3.348525 3.717113 4.106370 1.750645 31 32 31 H 0.000000 32 H 1.764740 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.262359 -1.931599 -0.037095 2 6 0 -1.830686 -2.546453 1.235000 3 8 0 -1.952995 -2.324731 -1.183112 4 7 0 3.359867 0.608997 0.006550 5 8 0 0.214701 3.847757 0.043200 6 6 0 0.365548 2.662922 0.027587 7 6 0 -0.598256 1.595747 0.014127 8 7 0 -1.973921 1.631930 0.009971 9 6 0 -2.326300 0.411371 -0.008031 10 7 0 -1.273222 -0.479414 -0.007332 11 6 0 -0.154562 0.305169 -0.000073 12 7 0 1.120807 -0.146103 0.000066 13 6 0 2.001760 0.805849 0.008722 14 7 0 1.664479 2.117969 0.025409 15 1 0 -0.216283 -2.187440 -0.122431 16 1 0 -1.748542 -3.629271 1.187298 17 1 0 -1.269539 -2.205354 2.097703 18 6 0 3.779563 -0.602620 -0.017623 19 35 0 -4.114819 -0.127076 -0.030795 20 1 0 2.413356 2.777337 0.032917 21 1 0 -2.871880 -2.287525 1.362917 22 1 0 -1.993237 -3.271310 -1.221573 23 7 0 5.071832 -0.905951 -0.021725 24 1 0 3.102313 -1.441310 -0.036671 25 6 0 6.054311 0.168863 -0.000655 26 6 0 5.475680 -2.303859 -0.057242 27 1 0 7.045153 -0.260262 -0.020819 28 1 0 5.942476 0.767415 0.894099 29 1 0 5.927776 0.814895 -0.859525 30 1 0 6.552853 -2.362867 -0.021433 31 1 0 5.141947 -2.787958 -0.968475 32 1 0 5.081516 -2.847236 0.794233 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5701426 0.1449022 0.1184158 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1839.7563457025 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.34D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000206 0.000851 0.000287 Ang= -0.11 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.57175145 A.U. after 12 cycles NFock= 12 Conv=0.58D-08 -V/T= 2.0038 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 -0.001100702 0.000897468 -0.000660772 2 6 0.000139671 -0.000257675 0.000190763 3 8 0.000800677 0.000208584 0.000048313 4 7 -0.000040166 -0.000187490 0.000125320 5 8 0.000130308 -0.000476164 0.000004515 6 6 0.000870964 0.001755723 0.000119619 7 6 0.000740555 -0.000106312 0.000286952 8 7 0.000526069 -0.000781576 -0.000510628 9 6 -0.001001984 0.000820714 0.000219488 10 7 0.001889336 -0.000578329 0.000811353 11 6 -0.001108246 -0.000799836 -0.000369368 12 7 -0.000012172 0.001260266 -0.000414981 13 6 0.000378521 -0.001277802 0.000957432 14 7 -0.001532562 -0.001093109 -0.000161929 15 1 0.000067818 -0.000109079 0.000025391 16 1 -0.000017241 0.000163931 -0.000169173 17 1 0.000017069 -0.000186988 -0.000161042 18 6 0.000219998 0.001171389 -0.000594441 19 35 0.000126349 0.000574077 -0.000450103 20 1 0.000140354 -0.000080421 -0.000003191 21 1 0.000289061 0.000168506 0.000148936 22 1 -0.001057943 0.000118201 0.000139809 23 7 -0.000758423 -0.000629911 0.000423398 24 1 0.000256837 -0.000271851 0.000138140 25 6 0.000313441 -0.000203441 -0.000033482 26 6 0.000001769 0.000167356 -0.000150047 27 1 -0.000254464 -0.000068250 0.000017735 28 1 0.000051216 -0.000038538 -0.000154360 29 1 0.000037044 0.000080915 0.000132868 30 1 -0.000207418 -0.000219062 0.000143238 31 1 0.000074343 0.000075084 0.000069486 32 1 0.000019920 -0.000096380 -0.000169239 ------------------------------------------------------------------- Cartesian Forces: Max 0.001889336 RMS 0.000568994 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001671917 RMS 0.000351376 Search for a local minimum. Step number 6 out of a maximum of 168 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 4 5 6 DE= -1.76D-04 DEPred=-1.85D-04 R= 9.48D-01 TightC=F SS= 1.41D+00 RLast= 1.52D-01 DXNew= 1.7335D+00 4.5736D-01 Trust test= 9.48D-01 RLast= 1.52D-01 DXMaxT set to 1.03D+00 ITU= 1 1 1 1 1 0 Eigenvalues --- 0.00299 0.00596 0.01268 0.01296 0.01405 Eigenvalues --- 0.01438 0.01621 0.01641 0.01753 0.01801 Eigenvalues --- 0.01859 0.01925 0.02099 0.02139 0.02252 Eigenvalues --- 0.02379 0.02447 0.02580 0.02608 0.02726 Eigenvalues --- 0.03404 0.05231 0.05488 0.05634 0.05874 Eigenvalues --- 0.07493 0.07660 0.07764 0.07778 0.08495 Eigenvalues --- 0.15616 0.15957 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16041 0.16085 Eigenvalues --- 0.16108 0.16424 0.18209 0.18600 0.20292 Eigenvalues --- 0.21586 0.22247 0.24253 0.24907 0.24997 Eigenvalues --- 0.24999 0.24999 0.25000 0.25000 0.25231 Eigenvalues --- 0.27759 0.28632 0.29227 0.32175 0.33673 Eigenvalues --- 0.33720 0.33742 0.33752 0.33758 0.33766 Eigenvalues --- 0.33789 0.33830 0.33848 0.34549 0.37742 Eigenvalues --- 0.38771 0.40703 0.40753 0.41140 0.41166 Eigenvalues --- 0.41890 0.43039 0.44308 0.46626 0.47429 Eigenvalues --- 0.47861 0.48655 0.51161 0.52113 0.55518 Eigenvalues --- 0.61187 0.68990 0.70659 0.77145 0.87502 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 6 5 RFO step: Lambda=-1.29737177D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.33279 -0.33279 Iteration 1 RMS(Cart)= 0.01339635 RMS(Int)= 0.00010697 Iteration 2 RMS(Cart)= 0.00013522 RMS(Int)= 0.00001374 Iteration 3 RMS(Cart)= 0.00000003 RMS(Int)= 0.00001374 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87789 0.00004 0.00020 0.00014 0.00034 2.87823 R2 2.63540 -0.00039 0.00093 -0.00060 0.00033 2.63573 R3 2.74489 -0.00133 -0.00156 -0.00284 -0.00439 2.74049 R4 2.04144 -0.00002 -0.00007 0.00014 0.00007 2.04151 R5 2.05409 -0.00013 -0.00009 -0.00017 -0.00026 2.05382 R6 2.04884 -0.00024 0.00015 -0.00052 -0.00037 2.04847 R7 2.04186 -0.00028 -0.00068 -0.00059 -0.00127 2.04059 R8 1.79187 -0.00086 -0.00051 -0.00100 -0.00150 1.79036 R9 2.59327 -0.00034 -0.00062 -0.00035 -0.00097 2.59230 R10 2.42353 -0.00026 -0.00001 -0.00036 -0.00037 2.42316 R11 2.25728 -0.00030 0.00015 -0.00010 0.00005 2.25733 R12 2.71750 0.00001 -0.00169 0.00007 -0.00161 2.71589 R13 2.66190 -0.00167 0.00062 -0.00261 -0.00198 2.65992 R14 2.60054 -0.00038 0.00113 -0.00073 0.00038 2.60092 R15 2.57908 -0.00066 -0.00090 -0.00095 -0.00187 2.57722 R16 2.40096 -0.00089 -0.00043 -0.00100 -0.00142 2.39954 R17 2.60650 0.00041 0.00078 0.00097 0.00177 2.60827 R18 3.52992 -0.00069 0.00159 -0.00336 -0.00177 3.52815 R19 2.58210 -0.00073 0.00026 -0.00117 -0.00090 2.58120 R20 2.55652 -0.00023 -0.00074 -0.00025 -0.00099 2.55553 R21 2.45109 -0.00153 0.00006 -0.00173 -0.00167 2.44942 R22 2.56035 0.00025 -0.00226 0.00153 -0.00073 2.55962 R23 1.88560 -0.00009 -0.00007 -0.00017 -0.00024 1.88536 R24 2.50842 -0.00119 -0.00022 -0.00164 -0.00185 2.50656 R25 2.03743 0.00036 -0.00057 0.00081 0.00025 2.03767 R26 2.75209 -0.00022 -0.00076 -0.00048 -0.00125 2.75084 R27 2.75051 -0.00011 -0.00086 -0.00026 -0.00112 2.74939 R28 2.04084 -0.00025 0.00012 -0.00049 -0.00037 2.04047 R29 2.04524 -0.00015 -0.00011 -0.00021 -0.00032 2.04492 R30 2.04495 -0.00014 -0.00012 -0.00019 -0.00031 2.04464 R31 2.03974 -0.00032 0.00001 -0.00063 -0.00062 2.03911 R32 2.04935 -0.00008 0.00009 -0.00010 -0.00001 2.04934 R33 2.04897 -0.00014 0.00005 -0.00025 -0.00020 2.04877 A1 1.96903 -0.00008 0.00107 -0.00110 -0.00006 1.96898 A2 1.96463 0.00083 0.00207 0.00384 0.00591 1.97054 A3 1.90894 -0.00043 -0.00280 -0.00306 -0.00585 1.90308 A4 1.87022 -0.00059 0.00128 -0.00260 -0.00134 1.86888 A5 1.92609 0.00025 -0.00039 0.00098 0.00059 1.92668 A6 1.81897 0.00004 -0.00134 0.00227 0.00095 1.81991 A7 1.91488 -0.00030 -0.00212 -0.00192 -0.00404 1.91084 A8 1.92249 -0.00010 -0.00018 -0.00106 -0.00124 1.92125 A9 1.94094 0.00042 0.00251 0.00309 0.00560 1.94654 A10 1.88516 0.00008 -0.00037 -0.00052 -0.00090 1.88426 A11 1.89308 -0.00001 0.00008 0.00036 0.00045 1.89353 A12 1.90619 -0.00010 0.00001 -0.00004 -0.00003 1.90616 A13 1.91321 0.00012 0.00047 0.00086 0.00133 1.91454 A14 2.04814 -0.00063 0.00179 -0.00253 -0.00074 2.04740 A15 2.28046 -0.00023 -0.00075 -0.00089 -0.00164 2.27882 A16 2.09464 0.00054 0.00043 0.00164 0.00205 2.09669 A17 1.90807 -0.00032 0.00032 -0.00071 -0.00041 1.90767 A18 2.27904 -0.00018 -0.00002 -0.00090 -0.00092 2.27812 A19 2.07597 0.00022 0.00035 0.00112 0.00148 2.07745 A20 1.92817 -0.00004 -0.00033 -0.00023 -0.00058 1.92759 A21 1.82558 -0.00013 0.00124 -0.00074 0.00050 1.82608 A22 1.99178 0.00033 -0.00182 0.00155 -0.00032 1.99147 A23 2.14438 -0.00038 0.00041 -0.00137 -0.00105 2.14332 A24 2.14702 0.00005 0.00141 -0.00014 0.00117 2.14819 A25 2.28018 0.00064 -0.00116 0.00194 0.00073 2.28091 A26 2.17493 -0.00003 -0.00015 0.00008 -0.00012 2.17481 A27 1.82785 -0.00062 0.00126 -0.00220 -0.00094 1.82691 A28 1.85134 0.00047 -0.00037 0.00168 0.00131 1.85264 A29 2.24198 -0.00014 -0.00060 -0.00047 -0.00107 2.24090 A30 2.18986 -0.00032 0.00096 -0.00122 -0.00027 2.18959 A31 1.97738 -0.00024 0.00032 -0.00065 -0.00034 1.97705 A32 2.17351 -0.00040 0.00110 -0.00244 -0.00134 2.17217 A33 1.96633 0.00000 -0.00130 0.00152 0.00022 1.96655 A34 2.14334 0.00040 0.00019 0.00094 0.00113 2.14447 A35 2.21960 0.00009 -0.00059 -0.00020 -0.00079 2.21881 A36 2.02241 0.00008 -0.00050 0.00076 0.00026 2.02266 A37 2.04117 -0.00016 0.00109 -0.00056 0.00054 2.04170 A38 2.13476 0.00047 0.00116 0.00136 0.00252 2.13728 A39 2.12902 -0.00007 -0.00014 -0.00021 -0.00036 2.12866 A40 2.01941 -0.00040 -0.00102 -0.00114 -0.00216 2.01725 A41 2.08068 0.00015 0.00043 0.00052 0.00095 2.08162 A42 2.08250 -0.00012 -0.00026 -0.00028 -0.00054 2.08197 A43 2.11998 -0.00003 -0.00017 -0.00026 -0.00043 2.11954 A44 1.90226 0.00009 -0.00026 0.00082 0.00056 1.90282 A45 1.92880 0.00006 -0.00033 0.00010 -0.00023 1.92857 A46 1.92861 0.00006 -0.00029 0.00016 -0.00014 1.92847 A47 1.90709 -0.00006 0.00052 -0.00026 0.00026 1.90735 A48 1.90676 -0.00006 0.00054 -0.00022 0.00033 1.90709 A49 1.89010 -0.00010 -0.00015 -0.00062 -0.00077 1.88933 A50 1.90561 -0.00003 0.00020 -0.00002 0.00018 1.90578 A51 1.94319 0.00013 -0.00045 0.00056 0.00011 1.94330 A52 1.94044 0.00006 -0.00066 0.00011 -0.00056 1.93989 A53 1.88660 -0.00003 0.00069 0.00004 0.00073 1.88733 A54 1.88529 -0.00002 0.00067 -0.00006 0.00061 1.88590 A55 1.90104 -0.00012 -0.00036 -0.00065 -0.00101 1.90003 D1 1.07831 0.00015 0.00072 0.00847 0.00919 1.08750 D2 -3.13186 0.00000 -0.00115 0.00601 0.00487 -3.12699 D3 -1.01602 0.00008 0.00041 0.00730 0.00771 -1.00831 D4 -3.08563 -0.00006 0.00471 0.00710 0.01182 -3.07381 D5 -1.01262 -0.00021 0.00284 0.00464 0.00749 -1.00512 D6 1.10323 -0.00013 0.00439 0.00593 0.01034 1.11357 D7 -1.07246 0.00020 0.00254 0.01023 0.01275 -1.05971 D8 1.00056 0.00005 0.00067 0.00777 0.00843 1.00898 D9 3.11640 0.00014 0.00222 0.00906 0.01127 3.12767 D10 -0.93553 0.00069 0.01395 0.02754 0.04150 -0.89403 D11 -3.10746 0.00012 0.00972 0.02527 0.03499 -3.07247 D12 1.20568 0.00026 0.01080 0.02351 0.03430 1.23998 D13 -1.16948 -0.00032 0.01299 -0.01612 -0.00313 -1.17261 D14 1.99807 -0.00012 0.01756 -0.00535 0.01221 2.01028 D15 1.00512 -0.00029 0.01660 -0.01685 -0.00025 1.00488 D16 -2.11051 -0.00009 0.02116 -0.00607 0.01509 -2.09542 D17 3.04694 -0.00025 0.01609 -0.01581 0.00027 3.04722 D18 -0.06870 -0.00006 0.02065 -0.00503 0.01562 -0.05308 D19 0.01121 0.00012 0.00521 0.00715 0.01236 0.02357 D20 -3.13388 0.00026 0.00356 0.01361 0.01717 -3.11671 D21 -3.14129 0.00010 0.00069 0.00317 0.00385 -3.13744 D22 0.00109 0.00007 0.00115 0.00153 0.00267 0.00376 D23 0.00515 -0.00003 0.00080 -0.00149 -0.00068 0.00447 D24 -3.13911 -0.00015 0.00171 -0.00725 -0.00552 3.13855 D25 -3.14071 0.00019 -0.00096 0.00888 0.00791 -3.13280 D26 -0.00179 0.00008 -0.00005 0.00312 0.00307 0.00128 D27 -3.14151 0.00007 -0.00122 0.00328 0.00207 -3.13944 D28 -0.00509 0.00008 -0.00137 0.00384 0.00247 -0.00262 D29 0.00382 -0.00013 0.00033 -0.00580 -0.00547 -0.00165 D30 3.14024 -0.00012 0.00017 -0.00524 -0.00507 3.13518 D31 3.13747 0.00018 -0.00156 0.00785 0.00628 -3.13943 D32 -0.00162 0.00029 -0.00242 0.01323 0.01080 0.00918 D33 3.13918 -0.00010 0.00000 -0.00403 -0.00403 3.13516 D34 0.00345 -0.00001 0.00070 -0.00028 0.00042 0.00387 D35 -0.00458 -0.00019 0.00074 -0.00870 -0.00795 -0.01253 D36 -3.14031 -0.00010 0.00144 -0.00495 -0.00351 3.13937 D37 0.00747 -0.00028 0.00325 -0.01291 -0.00966 -0.00219 D38 -3.13567 0.00020 0.00189 0.01107 0.01295 -3.12272 D39 -3.12990 0.00034 0.00102 0.01704 0.01807 -3.11183 D40 -0.01039 0.00018 -0.00287 0.00788 0.00502 -0.00537 D41 0.01324 -0.00015 0.00238 -0.00698 -0.00461 0.00863 D42 3.13275 -0.00031 -0.00151 -0.01614 -0.01766 3.11509 D43 3.12966 -0.00012 -0.00248 -0.00744 -0.00992 3.11974 D44 -0.01757 -0.00020 -0.00315 -0.01105 -0.01420 -0.03178 D45 0.00843 0.00002 0.00111 0.00097 0.00208 0.01051 D46 -3.13881 -0.00007 0.00044 -0.00264 -0.00220 -3.14100 D47 -0.00615 -0.00003 -0.00149 -0.00066 -0.00216 -0.00830 D48 -3.14082 0.00007 -0.00067 0.00375 0.00308 -3.13774 D49 -3.13784 0.00013 -0.00014 0.00538 0.00524 -3.13260 D50 0.00759 -0.00001 0.00167 -0.00171 -0.00004 0.00755 D51 3.13762 -0.00003 0.00036 -0.00083 -0.00047 3.13714 D52 0.00125 -0.00004 0.00052 -0.00140 -0.00088 0.00037 D53 -0.00740 0.00010 -0.00126 0.00550 0.00424 -0.00316 D54 3.13942 0.00009 -0.00110 0.00493 0.00383 -3.13994 D55 -0.00204 -0.00001 -0.00001 -0.00070 -0.00071 -0.00276 D56 -3.13569 0.00002 0.00096 0.00134 0.00231 -3.13338 D57 3.13880 0.00002 -0.00045 0.00085 0.00040 3.13920 D58 0.00516 0.00005 0.00053 0.00289 0.00342 0.00858 D59 -3.12849 0.00000 0.00030 0.00016 0.00046 -3.12803 D60 1.05871 -0.00002 0.00003 -0.00010 -0.00006 1.05865 D61 -1.03304 0.00003 0.00062 0.00051 0.00113 -1.03191 D62 0.00497 -0.00003 -0.00070 -0.00192 -0.00263 0.00235 D63 -2.09101 -0.00005 -0.00097 -0.00218 -0.00315 -2.09416 D64 2.10043 -0.00001 -0.00038 -0.00158 -0.00196 2.09847 D65 -3.10811 0.00007 0.00138 0.00451 0.00589 -3.10222 D66 1.09341 0.00004 0.00068 0.00413 0.00481 1.09822 D67 -1.02976 0.00006 0.00192 0.00449 0.00641 -1.02334 D68 0.04161 0.00010 0.00238 0.00660 0.00897 0.05059 D69 -2.04005 0.00007 0.00168 0.00621 0.00789 -2.03216 D70 2.11997 0.00010 0.00292 0.00658 0.00949 2.12946 Item Value Threshold Converged? Maximum Force 0.001672 0.000450 NO RMS Force 0.000351 0.000300 NO Maximum Displacement 0.054772 0.001800 NO RMS Displacement 0.013399 0.001200 NO Predicted change in Energy=-6.539254D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.116370 -4.819830 2.169791 2 6 0 7.142123 -5.107459 3.665257 3 8 0 7.188281 -5.977441 1.395106 4 7 0 7.675313 0.076687 0.302890 5 8 0 3.250950 -0.793346 0.075170 6 6 0 4.301957 -1.258329 0.400855 7 6 0 4.623413 -2.545052 0.954492 8 7 0 3.812659 -3.613264 1.264239 9 6 0 4.603694 -4.493137 1.725148 10 7 0 5.927041 -4.101976 1.753518 11 6 0 5.924708 -2.835941 1.240807 12 7 0 7.015729 -2.053776 1.077453 13 6 0 6.741837 -0.891388 0.573551 14 7 0 5.482881 -0.506400 0.255022 15 1 0 7.929714 -4.152163 1.925283 16 1 0 8.083590 -5.583383 3.926696 17 1 0 7.069403 -4.181216 4.223695 18 6 0 8.902536 -0.205424 0.544920 19 35 0 4.027362 -6.179638 2.281300 20 1 0 5.372633 0.407713 -0.129201 21 1 0 6.334673 -5.762513 3.956749 22 1 0 7.921026 -6.506650 1.679056 23 7 0 9.887431 0.655645 0.326006 24 1 0 9.200646 -1.162696 0.941748 25 6 0 9.575614 1.971803 -0.212057 26 6 0 11.256965 0.259253 0.615886 27 1 0 10.493006 2.527466 -0.336672 28 1 0 8.920115 2.510279 0.459774 29 1 0 9.079796 1.881866 -1.169525 30 1 0 11.916294 1.090082 0.417486 31 1 0 11.566821 -0.573522 -0.005838 32 1 0 11.371421 -0.019248 1.657397 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523093 0.000000 3 O 1.394766 2.431581 0.000000 4 N 5.270067 6.202030 6.171110 0.000000 5 O 5.961668 6.829460 6.642263 4.514842 0.000000 6 C 4.871791 5.791258 5.620447 3.629241 1.194527 7 C 3.586977 4.500898 4.307434 4.075806 2.392767 8 N 3.631850 4.368391 4.123261 5.427708 3.111485 9 C 2.572543 3.253465 2.998696 5.686910 4.270924 10 N 1.450207 2.478340 2.288352 4.756259 4.574423 11 C 2.493769 3.538340 3.389609 3.525295 3.560883 12 N 2.975633 4.004709 3.940283 2.360904 4.094730 13 C 4.256867 5.243485 5.171287 1.371788 3.527646 14 N 4.994028 5.962595 5.842986 2.269149 2.257476 15 H 1.080320 2.135510 2.040209 4.536523 6.049413 16 H 2.145983 1.086836 2.714002 6.733131 7.818767 17 H 2.151407 1.084005 3.352831 5.819757 6.577880 18 C 5.208007 6.071697 6.080926 1.282280 5.701468 19 Br 3.376904 3.573043 3.289017 7.507545 5.872134 20 H 5.971029 6.924315 6.811041 2.366139 2.446599 21 H 2.166315 1.079833 2.708663 7.017425 7.019161 22 H 1.932267 2.551356 0.947420 6.730121 7.551417 23 N 6.407742 7.204214 7.240595 2.286743 6.797453 24 H 4.384852 5.216913 5.238026 2.066604 6.023808 25 C 7.605745 8.430385 8.454159 2.732724 6.908684 26 C 6.734703 7.418368 7.487171 3.599935 8.092998 27 H 8.465624 9.248564 9.287287 3.788767 7.977768 28 H 7.740035 8.453775 8.712949 2.737977 6.572769 29 H 7.740724 8.716672 8.480794 2.720157 6.533106 30 H 7.812611 8.470551 8.559189 4.361883 8.874270 31 H 6.524646 7.321986 7.094828 3.957515 8.319171 32 H 6.435340 6.914360 7.284746 3.937653 8.309316 6 7 8 9 10 6 C 0.000000 7 C 1.437187 0.000000 8 N 2.555497 1.376350 0.000000 9 C 3.508388 2.095074 1.269783 0.000000 10 N 3.543576 2.182178 2.224600 1.380239 0.000000 11 C 2.414063 1.363804 2.250673 2.173927 1.365914 12 N 2.907762 2.445333 3.567429 3.491118 2.416078 13 C 2.473354 2.714303 4.057800 4.344010 3.516261 14 N 1.407567 2.320355 3.668891 4.339160 3.920579 15 H 4.884544 3.802219 4.204465 3.349436 2.010651 16 H 6.740801 5.480719 5.404710 4.259709 3.401172 17 H 5.551228 4.398590 4.437041 3.524167 2.722691 18 C 4.721725 4.894130 6.167466 6.185261 5.049495 19 Br 5.275487 3.914832 2.768896 1.867016 2.864264 20 H 2.050121 3.233348 4.532488 5.296055 4.918261 21 H 6.088021 4.721654 4.269594 3.096392 2.788866 22 H 6.502025 5.205142 5.042066 3.880857 3.124736 23 N 5.904779 6.192685 7.483763 7.509023 6.352751 24 H 4.929388 4.781437 5.927874 5.730403 4.473794 25 C 6.214568 6.803463 8.159905 8.382612 7.352983 26 C 7.121897 7.209910 8.416319 8.251162 6.980159 27 H 7.294194 7.864456 9.214039 9.392761 8.316636 28 H 5.960977 6.653027 8.014427 8.323490 7.372529 29 H 5.929136 6.630868 7.991394 8.309951 7.368203 30 H 7.968276 8.166314 9.407834 9.292815 8.038258 31 H 7.308393 7.281489 8.424972 8.175868 6.881311 32 H 7.286394 7.239433 8.378926 8.113101 6.805820 11 12 13 14 15 11 C 0.000000 12 N 1.352330 0.000000 13 C 2.212288 1.296179 0.000000 14 N 2.567830 2.328173 1.354492 0.000000 15 H 2.494192 2.440781 3.724363 4.697697 0.000000 16 H 4.407177 4.660112 5.921039 6.783852 2.465304 17 H 3.466657 3.798384 4.924816 5.636639 2.454318 18 C 4.033775 2.694445 2.267154 3.445094 4.292846 19 Br 3.982819 5.234723 6.184688 6.197577 4.412001 20 H 3.564127 3.196045 2.014012 0.997689 5.617119 21 H 4.013631 4.744356 5.944718 6.484988 3.043721 22 H 4.201363 4.583621 5.843269 6.631397 2.367343 23 N 5.360151 4.018993 3.514165 4.555815 5.431884 24 H 3.690658 2.363536 2.500984 3.837199 3.394042 25 C 6.209213 4.941773 4.104306 4.807298 6.691798 26 C 6.197074 4.852960 4.659630 5.835795 5.678530 27 H 7.219690 5.922751 5.156388 5.886918 7.503622 28 H 6.177746 4.983854 4.040938 4.577865 6.893239 29 H 6.166197 4.979815 4.024339 4.546531 6.878229 30 H 7.210452 5.859601 5.543066 6.630532 6.756286 31 H 6.205329 4.906843 4.870031 6.089900 5.455680 32 H 6.146056 4.842282 4.834087 6.072799 5.384989 16 17 18 19 20 16 H 0.000000 17 H 1.755806 0.000000 18 C 6.405429 5.718451 0.000000 19 Br 4.417672 4.125603 7.904022 0.000000 20 H 7.726113 6.548664 3.645627 7.142370 0.000000 21 H 1.758323 1.763970 7.008262 2.881805 7.462720 22 H 2.435310 3.550787 6.477274 3.953511 7.587655 23 N 7.425920 6.821179 1.326417 9.213288 4.544457 24 H 5.449789 4.942149 1.078291 7.329868 4.273968 25 C 8.742782 7.988531 2.401325 10.170836 4.485342 26 C 7.427528 7.090114 2.400895 9.823445 5.933175 27 H 9.474570 8.804795 3.282604 11.156701 5.545685 28 H 8.844585 7.897362 2.717094 10.137634 4.165610 29 H 9.093616 8.359992 2.706940 10.120431 4.122919 30 H 8.458091 8.109633 3.282881 10.888428 6.601818 31 H 7.259230 7.150606 2.745405 9.669693 6.272640 32 H 6.849756 6.512697 2.714343 9.605980 6.273730 21 22 23 24 25 21 H 0.000000 22 H 2.873698 0.000000 23 N 8.185178 7.549567 0.000000 24 H 6.201802 5.544267 2.038916 0.000000 25 C 9.364950 8.842970 1.455682 3.361093 0.000000 26 C 8.464750 7.618153 1.454916 2.521224 2.538751 27 H 10.220027 9.606950 2.075952 4.113617 1.079768 28 H 9.346252 9.153679 2.096011 3.715070 1.082124 29 H 9.604734 8.934448 2.095830 3.706945 1.081975 30 H 9.520448 8.675486 2.076870 3.567156 2.579252 31 H 8.366785 7.164684 2.107445 2.616071 3.238227 32 H 7.977528 7.347931 2.104830 2.555757 3.268648 26 27 28 29 30 26 C 0.000000 27 H 2.576003 0.000000 28 H 3.248440 1.763125 0.000000 29 H 3.249713 1.762841 1.753573 0.000000 30 H 1.079052 2.158837 3.315997 3.345333 0.000000 31 H 1.084466 3.298281 4.090438 3.683531 1.751831 32 H 1.084162 3.351667 3.720444 4.105760 1.750678 31 32 31 H 0.000000 32 H 1.764015 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.257667 -1.930372 -0.025372 2 6 0 -1.828902 -2.558686 1.239035 3 8 0 -1.939965 -2.318905 -1.178144 4 7 0 3.357872 0.613037 0.013177 5 8 0 0.208424 3.847885 0.036260 6 6 0 0.363407 2.663471 0.030096 7 6 0 -0.597843 1.595116 0.018993 8 7 0 -1.973703 1.630040 0.007596 9 6 0 -2.325403 0.409940 0.003811 10 7 0 -1.270936 -0.480638 0.009175 11 6 0 -0.153990 0.305590 0.010034 12 7 0 1.121524 -0.143678 0.014123 13 6 0 2.000194 0.809212 0.018618 14 7 0 1.662160 2.120813 0.027708 15 1 0 -0.210792 -2.185363 -0.103631 16 1 0 -1.729462 -3.639539 1.183512 17 1 0 -1.276842 -2.216364 2.106856 18 6 0 3.777081 -0.598215 -0.023902 19 35 0 -4.112882 -0.127325 -0.041025 20 1 0 2.410154 2.781030 0.029090 21 1 0 -2.873814 -2.316881 1.364448 22 1 0 -2.006724 -3.263542 -1.206569 23 7 0 5.067512 -0.905061 -0.028126 24 1 0 3.099162 -1.436228 -0.053424 25 6 0 6.053634 0.165143 0.007054 26 6 0 5.466474 -2.303181 -0.081722 27 1 0 7.042917 -0.266940 -0.015825 28 1 0 5.941678 0.754132 0.907915 29 1 0 5.930903 0.821458 -0.844332 30 1 0 6.542729 -2.366922 -0.037390 31 1 0 5.138190 -2.772275 -1.002725 32 1 0 5.062189 -2.857738 0.757579 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5697638 0.1451239 0.1185494 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.2995534769 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.32D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 -0.000560 0.000058 -0.000169 Ang= -0.07 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.57180988 A.U. after 11 cycles NFock= 11 Conv=0.94D-08 -V/T= 2.0037 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 -0.000007014 0.000066898 -0.000249830 2 6 0.000364172 0.000280328 -0.000078451 3 8 0.000391515 0.000560305 -0.000185603 4 7 0.000106468 0.000661276 0.000031096 5 8 0.000116112 0.000087955 0.000351144 6 6 0.000516585 0.000953616 -0.001226581 7 6 -0.000112631 -0.000963425 0.000089030 8 7 -0.000199988 0.000459106 0.000852923 9 6 0.000146286 -0.000207993 -0.001857088 10 7 0.000299204 -0.000349755 0.001053144 11 6 -0.000568736 -0.000363979 0.000564267 12 7 0.000186711 0.000637127 0.000122513 13 6 0.000904196 -0.000899224 -0.000161881 14 7 -0.001787342 -0.000435034 0.000224489 15 1 -0.000037870 -0.000131389 -0.000343108 16 1 0.000000422 0.000014859 0.000080133 17 1 -0.000013090 -0.000116508 -0.000016996 18 6 0.000087624 0.000154934 0.000093689 19 35 0.000289187 0.000360805 0.000419217 20 1 0.000209949 0.000087132 0.000021667 21 1 -0.000451411 -0.000181079 -0.000088779 22 1 -0.000352917 -0.000327856 0.000354513 23 7 -0.000414900 -0.000025782 0.000183781 24 1 0.000071276 -0.000267254 0.000064752 25 6 -0.000011164 -0.000011781 -0.000156215 26 6 0.000176941 -0.000248317 -0.000064197 27 1 -0.000157962 0.000001897 -0.000005234 28 1 0.000009309 0.000072645 -0.000041264 29 1 0.000034251 0.000110399 -0.000052056 30 1 -0.000028482 -0.000074355 0.000138597 31 1 0.000163372 0.000119851 -0.000026831 32 1 0.000069930 -0.000025401 -0.000090841 ------------------------------------------------------------------- Cartesian Forces: Max 0.001857088 RMS 0.000443926 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000901973 RMS 0.000231614 Search for a local minimum. Step number 7 out of a maximum of 168 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 4 5 6 7 DE= -5.84D-05 DEPred=-6.54D-05 R= 8.94D-01 TightC=F SS= 1.41D+00 RLast= 9.16D-02 DXNew= 1.7335D+00 2.7481D-01 Trust test= 8.94D-01 RLast= 9.16D-02 DXMaxT set to 1.03D+00 ITU= 1 1 1 1 1 1 0 Eigenvalues --- 0.00281 0.00364 0.01268 0.01298 0.01320 Eigenvalues --- 0.01406 0.01593 0.01640 0.01731 0.01801 Eigenvalues --- 0.01858 0.01927 0.02097 0.02139 0.02256 Eigenvalues --- 0.02380 0.02451 0.02581 0.02662 0.03397 Eigenvalues --- 0.04370 0.05245 0.05506 0.05797 0.05898 Eigenvalues --- 0.07524 0.07679 0.07762 0.07773 0.08566 Eigenvalues --- 0.15890 0.15930 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16009 0.16014 0.16095 Eigenvalues --- 0.16293 0.16500 0.18262 0.18625 0.21486 Eigenvalues --- 0.21931 0.22679 0.24162 0.24914 0.24989 Eigenvalues --- 0.24998 0.24999 0.24999 0.25002 0.25170 Eigenvalues --- 0.27945 0.28893 0.29565 0.32251 0.33674 Eigenvalues --- 0.33724 0.33742 0.33757 0.33759 0.33776 Eigenvalues --- 0.33828 0.33837 0.34030 0.34642 0.37687 Eigenvalues --- 0.38577 0.40623 0.40711 0.41115 0.41531 Eigenvalues --- 0.41863 0.43156 0.44291 0.46629 0.47807 Eigenvalues --- 0.48606 0.48856 0.51067 0.53312 0.54551 Eigenvalues --- 0.62545 0.69286 0.70142 0.77137 0.87383 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 7 6 5 RFO step: Lambda=-9.78830106D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.48327 -0.19366 -0.28962 Iteration 1 RMS(Cart)= 0.01410450 RMS(Int)= 0.00014774 Iteration 2 RMS(Cart)= 0.00016790 RMS(Int)= 0.00001206 Iteration 3 RMS(Cart)= 0.00000008 RMS(Int)= 0.00001206 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87823 -0.00010 0.00034 -0.00023 0.00011 2.87834 R2 2.63573 -0.00028 0.00097 -0.00084 0.00013 2.63585 R3 2.74049 -0.00032 -0.00348 -0.00028 -0.00375 2.73674 R4 2.04151 -0.00003 -0.00002 -0.00003 -0.00005 2.04146 R5 2.05382 0.00001 -0.00021 0.00008 -0.00013 2.05369 R6 2.04847 -0.00011 -0.00005 -0.00026 -0.00031 2.04817 R7 2.04059 0.00042 -0.00120 0.00112 -0.00008 2.04051 R8 1.79036 0.00002 -0.00117 0.00024 -0.00093 1.78944 R9 2.59230 0.00039 -0.00100 0.00085 -0.00016 2.59215 R10 2.42316 0.00005 -0.00019 -0.00000 -0.00019 2.42297 R11 2.25733 -0.00016 0.00016 -0.00011 0.00005 2.25738 R12 2.71589 0.00077 -0.00225 0.00192 -0.00033 2.71556 R13 2.65992 -0.00090 -0.00042 -0.00154 -0.00196 2.65796 R14 2.60092 -0.00026 0.00117 -0.00074 0.00042 2.60134 R15 2.57722 0.00024 -0.00168 0.00064 -0.00106 2.57616 R16 2.39954 -0.00003 -0.00106 0.00008 -0.00098 2.39856 R17 2.60827 -0.00025 0.00154 -0.00093 0.00062 2.60890 R18 3.52815 -0.00029 0.00053 -0.00196 -0.00144 3.52671 R19 2.58120 -0.00016 -0.00021 -0.00032 -0.00052 2.58068 R20 2.55553 0.00048 -0.00112 0.00113 0.00001 2.55554 R21 2.44942 -0.00027 -0.00075 -0.00031 -0.00106 2.44836 R22 2.55962 0.00082 -0.00232 0.00239 0.00006 2.55968 R23 1.88536 0.00005 -0.00018 0.00010 -0.00008 1.88528 R24 2.50656 -0.00015 -0.00108 -0.00007 -0.00115 2.50541 R25 2.03767 0.00028 -0.00037 0.00069 0.00032 2.03799 R26 2.75084 0.00028 -0.00127 0.00074 -0.00053 2.75031 R27 2.74939 0.00041 -0.00128 0.00100 -0.00028 2.74911 R28 2.04047 -0.00013 -0.00007 -0.00029 -0.00037 2.04010 R29 2.04492 0.00000 -0.00025 0.00010 -0.00015 2.04477 R30 2.04464 0.00002 -0.00025 0.00014 -0.00012 2.04452 R31 2.03911 -0.00010 -0.00030 -0.00018 -0.00047 2.03864 R32 2.04934 -0.00003 0.00007 -0.00006 0.00001 2.04935 R33 2.04877 -0.00007 -0.00005 -0.00014 -0.00019 2.04858 A1 1.96898 0.00000 0.00090 -0.00165 -0.00078 1.96819 A2 1.97054 -0.00053 0.00466 -0.00304 0.00161 1.97215 A3 1.90308 0.00028 -0.00526 0.00349 -0.00176 1.90132 A4 1.86888 0.00018 0.00047 -0.00231 -0.00186 1.86701 A5 1.92668 -0.00014 -0.00005 0.00082 0.00076 1.92744 A6 1.81991 0.00022 -0.00071 0.00300 0.00231 1.82223 A7 1.91084 0.00018 -0.00379 0.00175 -0.00204 1.90880 A8 1.92125 0.00009 -0.00075 0.00028 -0.00049 1.92076 A9 1.94654 -0.00038 0.00489 -0.00250 0.00239 1.94893 A10 1.88426 -0.00007 -0.00075 0.00027 -0.00050 1.88376 A11 1.89353 0.00011 0.00029 0.00056 0.00086 1.89439 A12 1.90616 0.00007 -0.00001 -0.00027 -0.00029 1.90587 A13 1.91454 0.00010 0.00105 -0.00012 0.00093 1.91547 A14 2.04740 -0.00010 0.00120 -0.00089 0.00032 2.04772 A15 2.27882 0.00005 -0.00144 0.00029 -0.00116 2.27766 A16 2.09669 -0.00002 0.00136 -0.00018 0.00118 2.09787 A17 1.90767 -0.00003 0.00008 -0.00008 -0.00001 1.90766 A18 2.27812 0.00006 -0.00046 -0.00014 -0.00060 2.27752 A19 2.07745 -0.00009 0.00102 -0.00023 0.00080 2.07825 A20 1.92759 0.00003 -0.00056 0.00039 -0.00019 1.92740 A21 1.82608 -0.00029 0.00133 -0.00152 -0.00020 1.82588 A22 1.99147 0.00047 -0.00173 0.00216 0.00040 1.99187 A23 2.14332 0.00026 -0.00015 0.00107 0.00087 2.14419 A24 2.14819 -0.00072 0.00179 -0.00285 -0.00112 2.14707 A25 2.28091 -0.00027 -0.00066 -0.00081 -0.00153 2.27939 A26 2.17481 0.00056 -0.00019 0.00217 0.00192 2.17673 A27 1.82691 -0.00029 0.00064 -0.00141 -0.00079 1.82612 A28 1.85264 0.00009 0.00031 0.00042 0.00074 1.85338 A29 2.24090 -0.00008 -0.00104 -0.00002 -0.00107 2.23983 A30 2.18959 -0.00001 0.00071 -0.00039 0.00031 2.18990 A31 1.97705 -0.00001 0.00011 0.00012 0.00023 1.97728 A32 2.17217 0.00020 0.00031 0.00019 0.00050 2.17267 A33 1.96655 -0.00016 -0.00102 0.00017 -0.00086 1.96569 A34 2.14447 -0.00004 0.00071 -0.00036 0.00035 2.14482 A35 2.21881 0.00025 -0.00090 0.00057 -0.00033 2.21848 A36 2.02266 0.00009 -0.00031 0.00094 0.00063 2.02329 A37 2.04170 -0.00033 0.00121 -0.00151 -0.00030 2.04140 A38 2.13728 -0.00024 0.00223 -0.00140 0.00083 2.13811 A39 2.12866 0.00011 -0.00030 0.00042 0.00012 2.12878 A40 2.01725 0.00013 -0.00193 0.00098 -0.00095 2.01630 A41 2.08162 -0.00011 0.00083 -0.00049 0.00033 2.08196 A42 2.08197 0.00005 -0.00049 0.00024 -0.00025 2.08172 A43 2.11954 0.00005 -0.00036 0.00024 -0.00013 2.11942 A44 1.90282 0.00007 0.00004 0.00039 0.00043 1.90324 A45 1.92857 0.00008 -0.00040 0.00051 0.00010 1.92867 A46 1.92847 0.00013 -0.00032 0.00071 0.00039 1.92886 A47 1.90735 -0.00010 0.00057 -0.00069 -0.00011 1.90723 A48 1.90709 -0.00012 0.00063 -0.00077 -0.00013 1.90695 A49 1.88933 -0.00008 -0.00050 -0.00019 -0.00069 1.88865 A50 1.90578 0.00001 0.00026 -0.00016 0.00009 1.90588 A51 1.94330 0.00018 -0.00034 0.00106 0.00072 1.94402 A52 1.93989 0.00009 -0.00085 0.00065 -0.00020 1.93969 A53 1.88733 -0.00011 0.00095 -0.00077 0.00018 1.88750 A54 1.88590 -0.00010 0.00087 -0.00088 -0.00001 1.88589 A55 1.90003 -0.00008 -0.00080 0.00000 -0.00080 1.89923 D1 1.08750 0.00003 0.00507 -0.00019 0.00487 1.09237 D2 -3.12699 0.00011 0.00136 0.00137 0.00273 -3.12427 D3 -1.00831 0.00001 0.00408 -0.00045 0.00363 -1.00467 D4 -3.07381 -0.00013 0.00981 -0.00678 0.00303 -3.07078 D5 -1.00512 -0.00005 0.00610 -0.00522 0.00089 -1.00423 D6 1.11357 -0.00015 0.00882 -0.00704 0.00179 1.11536 D7 -1.05971 0.00001 0.00837 -0.00265 0.00571 -1.05400 D8 1.00898 0.00009 0.00465 -0.00108 0.00356 1.01255 D9 3.12767 -0.00002 0.00738 -0.00291 0.00447 3.13214 D10 -0.89403 0.00007 0.03220 0.00987 0.04208 -0.85196 D11 -3.07247 0.00061 0.02537 0.01653 0.04190 -3.03057 D12 1.23998 0.00033 0.02597 0.01383 0.03980 1.27978 D13 -1.17261 0.00010 0.00979 -0.00725 0.00254 -1.17007 D14 2.01028 0.00013 0.02118 -0.00577 0.01540 2.02568 D15 1.00488 -0.00012 0.01432 -0.01307 0.00126 1.00613 D16 -2.09542 -0.00009 0.02571 -0.01159 0.01412 -2.08130 D17 3.04722 -0.00010 0.01413 -0.01174 0.00240 3.04961 D18 -0.05308 -0.00007 0.02552 -0.01025 0.01526 -0.03782 D19 0.02357 0.00025 0.01051 0.00711 0.01762 0.04119 D20 -3.11671 0.00005 0.01139 0.00163 0.01302 -3.10369 D21 -3.13744 0.00000 0.00246 -0.00032 0.00214 -3.13530 D22 0.00376 0.00008 0.00229 0.00144 0.00372 0.00749 D23 0.00447 0.00006 0.00037 0.00212 0.00249 0.00696 D24 3.13855 0.00025 -0.00118 0.00657 0.00540 -3.13924 D25 -3.13280 -0.00026 0.00299 -0.00625 -0.00326 -3.13606 D26 0.00128 -0.00007 0.00144 -0.00180 -0.00035 0.00092 D27 -3.13944 -0.00017 -0.00006 -0.00390 -0.00396 3.13978 D28 -0.00262 -0.00015 0.00000 -0.00349 -0.00349 -0.00611 D29 -0.00165 0.00011 -0.00236 0.00345 0.00109 -0.00055 D30 3.13518 0.00013 -0.00230 0.00386 0.00156 3.13674 D31 -3.13943 -0.00020 0.00167 -0.00487 -0.00320 3.14056 D32 0.00918 -0.00037 0.00311 -0.00902 -0.00591 0.00327 D33 3.13516 0.00006 -0.00194 0.00101 -0.00093 3.13423 D34 0.00387 0.00003 0.00081 0.00015 0.00096 0.00483 D35 -0.01253 0.00021 -0.00320 0.00462 0.00143 -0.01111 D36 3.13937 0.00018 -0.00044 0.00376 0.00332 -3.14050 D37 -0.00219 0.00039 -0.00184 0.01016 0.00832 0.00613 D38 -3.12272 -0.00038 0.00791 -0.00962 -0.00174 -3.12446 D39 -3.11183 -0.00027 0.00962 -0.00634 0.00327 -3.10857 D40 -0.00537 -0.00027 -0.00007 -0.00753 -0.00760 -0.01298 D41 0.00863 0.00052 -0.00015 0.01355 0.01338 0.02201 D42 3.11509 0.00052 -0.00984 0.01236 0.00251 3.11760 D43 3.11974 -0.00000 -0.00695 0.00012 -0.00686 3.11288 D44 -0.03178 0.00002 -0.00961 0.00095 -0.00868 -0.04046 D45 0.01051 0.00002 0.00198 0.00129 0.00327 0.01378 D46 -3.14100 0.00005 -0.00068 0.00212 0.00144 -3.13956 D47 -0.00830 -0.00001 -0.00234 0.00029 -0.00204 -0.01034 D48 -3.13774 -0.00004 0.00091 -0.00072 0.00019 -3.13755 D49 -3.13260 -0.00018 0.00241 -0.00484 -0.00243 -3.13504 D50 0.00755 0.00005 0.00144 0.00118 0.00262 0.01017 D51 3.13714 0.00009 0.00008 0.00198 0.00206 3.13921 D52 0.00037 0.00007 0.00003 0.00156 0.00158 0.00195 D53 -0.00316 -0.00011 0.00095 -0.00340 -0.00245 -0.00561 D54 -3.13994 -0.00013 0.00089 -0.00383 -0.00293 3.14032 D55 -0.00276 0.00006 -0.00036 0.00151 0.00116 -0.00160 D56 -3.13338 0.00009 0.00195 0.00289 0.00484 -3.12854 D57 3.13920 -0.00001 -0.00020 -0.00014 -0.00033 3.13887 D58 0.00858 0.00002 0.00211 0.00124 0.00336 0.01193 D59 -3.12803 -0.00000 0.00048 -0.00013 0.00035 -3.12769 D60 1.05865 0.00002 -0.00000 0.00016 0.00015 1.05880 D61 -1.03191 -0.00002 0.00109 -0.00040 0.00069 -1.03122 D62 0.00235 -0.00004 -0.00188 -0.00154 -0.00342 -0.00108 D63 -2.09416 -0.00001 -0.00237 -0.00125 -0.00362 -2.09778 D64 2.09847 -0.00006 -0.00127 -0.00180 -0.00308 2.09539 D65 -3.10222 0.00009 0.00405 0.00373 0.00778 -3.09444 D66 1.09822 0.00011 0.00292 0.00413 0.00705 1.10527 D67 -1.02334 0.00002 0.00477 0.00294 0.00771 -1.01564 D68 0.05059 0.00013 0.00640 0.00514 0.01154 0.06213 D69 -2.03216 0.00015 0.00527 0.00554 0.01082 -2.02135 D70 2.12946 0.00006 0.00713 0.00435 0.01147 2.14094 Item Value Threshold Converged? Maximum Force 0.000902 0.000450 NO RMS Force 0.000232 0.000300 YES Maximum Displacement 0.065690 0.001800 NO RMS Displacement 0.014108 0.001200 NO Predicted change in Energy=-4.728323D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.116270 -4.815907 2.178399 2 6 0 7.135200 -5.116766 3.671420 3 8 0 7.192119 -5.967266 1.394703 4 7 0 7.675730 0.079369 0.304103 5 8 0 3.254836 -0.800205 0.061622 6 6 0 4.306543 -1.262509 0.388959 7 6 0 4.627967 -2.546327 0.948870 8 7 0 3.816726 -3.613590 1.261572 9 6 0 4.607400 -4.492138 1.724198 10 7 0 5.929936 -4.097781 1.760961 11 6 0 5.927681 -2.834416 1.242436 12 7 0 7.017558 -2.050073 1.081876 13 6 0 6.743934 -0.891161 0.571316 14 7 0 5.485714 -0.509184 0.246176 15 1 0 7.931559 -4.146588 1.945264 16 1 0 8.078192 -5.590129 3.931722 17 1 0 7.056870 -4.195606 4.237147 18 6 0 8.904165 -0.203720 0.538188 19 35 0 4.032232 -6.175825 2.287483 20 1 0 5.375864 0.403842 -0.140626 21 1 0 6.329568 -5.777347 3.955206 22 1 0 7.900107 -6.516579 1.700782 23 7 0 9.887475 0.659452 0.324179 24 1 0 9.205290 -1.165153 0.922958 25 6 0 9.573536 1.981182 -0.197994 26 6 0 11.258557 0.258314 0.599080 27 1 0 10.490085 2.538184 -0.321156 28 1 0 8.921348 2.512501 0.482574 29 1 0 9.072766 1.902160 -1.153777 30 1 0 11.916203 1.093442 0.415033 31 1 0 11.566522 -0.561469 -0.040599 32 1 0 11.378049 -0.041706 1.633925 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523150 0.000000 3 O 1.394834 2.431055 0.000000 4 N 5.271594 6.215369 6.163204 0.000000 5 O 5.959638 6.835244 6.631578 4.514061 0.000000 6 C 4.870657 5.799237 5.610063 3.627569 1.194555 7 C 3.585302 4.506179 4.298426 4.074170 2.391995 8 N 3.629481 4.367971 4.117134 5.426473 3.109781 9 C 2.570127 3.251400 2.994218 5.685947 4.268953 10 N 1.448222 2.478073 2.285219 4.755924 4.573612 11 C 2.493006 3.545022 3.381825 3.525094 3.560398 12 N 2.976902 4.015493 3.933540 2.360644 4.094041 13 C 4.257344 5.255423 5.161946 1.371705 3.527303 14 N 4.994003 5.973517 5.832804 2.268462 2.257337 15 H 1.080294 2.134255 2.040774 4.540657 6.051291 16 H 2.144494 1.086768 2.713636 6.742759 7.822135 17 H 2.150986 1.083843 3.352097 5.841852 6.589326 18 C 5.211442 6.089696 6.073153 1.282181 5.700687 19 Br 3.372324 3.558834 3.290204 7.505753 5.869932 20 H 5.970985 6.935709 6.800517 2.364836 2.447324 21 H 2.168020 1.079790 2.708549 7.031631 7.027511 22 H 1.932564 2.535345 0.946929 6.745931 7.546013 23 N 6.410715 7.221062 7.233558 2.286639 6.796428 24 H 4.389549 5.239710 5.228355 2.066729 6.023536 25 C 7.608273 8.443856 8.449004 2.733251 6.908653 26 C 6.737990 7.438604 7.478421 3.599401 8.091284 27 H 8.468356 9.262514 9.282426 3.789105 7.977480 28 H 7.735611 8.459596 8.702221 2.739261 6.577278 29 H 7.750076 8.735101 8.482891 2.720237 6.529033 30 H 7.814680 8.486974 8.551627 4.361452 8.872998 31 H 6.544382 7.359784 7.100573 3.958252 8.315742 32 H 6.422788 6.921661 7.258892 3.935766 8.308673 6 7 8 9 10 6 C 0.000000 7 C 1.437012 0.000000 8 N 2.555182 1.376570 0.000000 9 C 3.507689 2.094693 1.269266 0.000000 10 N 3.543524 2.182115 2.224744 1.380569 0.000000 11 C 2.414002 1.363244 2.250247 2.173311 1.365637 12 N 2.906888 2.444199 3.566820 3.490720 2.416028 13 C 2.472252 2.712829 4.056676 4.342920 3.515717 14 N 1.406532 2.319367 3.667954 4.338192 3.920451 15 H 4.886792 3.803598 4.205160 3.349374 2.010682 16 H 6.745724 5.483264 5.403378 4.257363 3.399163 17 H 5.565601 4.408226 4.437490 3.521753 2.722324 18 C 4.720322 4.893091 6.167053 6.185414 5.050240 19 Br 5.274497 3.914083 2.768391 1.866256 2.863001 20 H 2.049545 3.232622 4.531758 5.295160 4.918093 21 H 6.098730 4.730010 4.272222 3.097583 2.792017 22 H 6.499218 5.199536 5.029339 3.865336 3.120220 23 N 5.902960 6.191098 7.482753 7.508537 6.352774 24 H 4.928728 4.781234 5.928417 5.731615 4.475545 25 C 6.213474 6.802374 8.159208 8.382196 7.353035 26 C 7.119520 7.207850 8.414951 8.250490 6.979953 27 H 7.292855 7.863183 9.213201 9.392278 8.316622 28 H 5.962876 6.651488 8.012053 8.319660 7.367404 29 H 5.925542 6.630716 7.992707 8.313199 7.373762 30 H 7.966061 8.164025 9.406079 9.291460 8.037146 31 H 7.306386 7.284385 8.430328 8.184989 6.893636 32 H 7.283303 7.232292 8.370819 8.102851 6.793366 11 12 13 14 15 11 C 0.000000 12 N 1.352334 0.000000 13 C 2.211993 1.295615 0.000000 14 N 2.567990 2.327935 1.354526 0.000000 15 H 2.496255 2.444629 3.727733 4.701039 0.000000 16 H 4.410318 4.666750 5.928986 6.791185 2.459944 17 H 3.477959 3.815834 4.945261 5.655625 2.453611 18 C 4.034351 2.695162 2.267217 3.444473 4.297910 19 Br 3.981189 5.233307 6.182737 6.195997 4.409044 20 H 3.564221 3.195523 2.013829 0.997646 5.620402 21 H 4.022621 4.756252 5.957955 6.497887 3.043948 22 H 4.202245 4.594737 5.853012 6.635809 2.382775 23 N 5.360064 4.018962 3.513877 4.554920 5.436134 24 H 3.692049 2.365271 2.501399 3.837131 3.399479 25 C 6.209435 4.941872 4.104734 4.807234 6.696209 26 C 6.196542 4.852609 4.658743 5.834322 5.681927 27 H 7.219777 5.922756 5.156604 5.886599 7.507922 28 H 6.174865 4.980026 4.041525 4.581489 6.889311 29 H 6.169971 4.984191 4.025176 4.543279 6.891571 30 H 7.209374 5.858591 5.542152 6.629338 6.758470 31 H 6.213614 4.916194 4.872422 6.087791 5.478110 32 H 6.136694 4.832409 4.829673 6.071573 5.368919 16 17 18 19 20 16 H 0.000000 17 H 1.755299 0.000000 18 C 6.419634 5.747169 0.000000 19 Br 4.406399 4.107419 7.903279 0.000000 20 H 7.733969 6.568530 3.644013 7.140944 0.000000 21 H 1.758775 1.763622 7.026371 2.866677 7.476128 22 H 2.422213 3.539930 6.497072 3.926931 7.593076 23 N 7.439431 6.848010 1.325807 9.211920 4.542688 24 H 5.468402 4.978273 1.078460 7.330027 4.272874 25 C 8.753020 8.009794 2.400795 10.169583 4.484611 26 C 7.444831 7.122297 2.400072 9.821845 5.930803 27 H 9.485445 8.826609 3.282020 11.155395 5.544661 28 H 8.846476 7.910233 2.716844 10.131543 4.171963 29 H 9.109657 8.385025 2.706640 10.124381 4.115643 30 H 8.471574 8.136075 3.281794 10.886015 6.600026 31 H 7.296246 7.200210 2.747930 9.680211 6.266265 32 H 6.852294 6.534849 2.710533 9.592476 6.274852 21 22 23 24 25 21 H 0.000000 22 H 2.845256 0.000000 23 N 8.202162 7.572324 0.000000 24 H 6.223877 5.562937 2.037915 0.000000 25 C 9.379082 8.866660 1.455401 3.360292 0.000000 26 C 8.484558 7.641473 1.454768 2.519338 2.538287 27 H 10.234512 9.632495 2.075868 4.112569 1.079575 28 H 9.354041 9.167946 2.095776 3.714794 1.082045 29 H 9.622976 8.966537 2.095811 3.706588 1.081913 30 H 9.536827 8.700265 2.076617 3.564869 2.579143 31 H 8.402234 7.206826 2.107821 2.620743 3.234477 32 H 7.985806 7.350139 2.104487 2.547252 3.271738 26 27 28 29 30 26 C 0.000000 27 H 2.575887 0.000000 28 H 3.249227 1.762832 0.000000 29 H 3.248449 1.762549 1.753022 0.000000 30 H 1.078801 2.159414 3.314732 3.346689 0.000000 31 H 1.084470 3.293217 4.089003 3.677968 1.751745 32 H 1.084063 3.356583 3.726252 4.106607 1.750391 31 32 31 H 0.000000 32 H 1.763436 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.260737 -1.928698 -0.021928 2 6 0 -1.847380 -2.559513 1.234220 3 8 0 -1.933031 -2.311306 -1.182614 4 7 0 3.358242 0.611587 0.019138 5 8 0 0.209838 3.846428 0.029098 6 6 0 0.365824 2.662118 0.022844 7 6 0 -0.595662 1.594181 0.015337 8 7 0 -1.971724 1.630354 0.005920 9 6 0 -2.324137 0.411002 0.001199 10 7 0 -1.270485 -0.480967 0.014515 11 6 0 -0.153456 0.304656 0.011788 12 7 0 1.122019 -0.144687 0.019536 13 6 0 2.000604 0.807526 0.019504 14 7 0 1.663436 2.119409 0.023946 15 1 0 -0.214376 -2.188820 -0.089006 16 1 0 -1.745744 -3.639955 1.176080 17 1 0 -1.304730 -2.219882 2.108805 18 6 0 3.778197 -0.598949 -0.028104 19 35 0 -4.110928 -0.126285 -0.038985 20 1 0 2.412040 2.778870 0.024653 21 1 0 -2.893625 -2.318798 1.349863 22 1 0 -2.035884 -3.252519 -1.197278 23 7 0 5.067908 -0.906204 -0.026369 24 1 0 3.100883 -1.436979 -0.073130 25 6 0 6.054327 0.162487 0.029047 26 6 0 5.466386 -2.303474 -0.098479 27 1 0 7.043448 -0.269580 0.008027 28 1 0 5.936259 0.740609 0.936051 29 1 0 5.938324 0.829689 -0.814706 30 1 0 6.541493 -2.369332 -0.038322 31 1 0 5.151967 -2.756643 -1.032211 32 1 0 5.048396 -2.872126 0.724389 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5704230 0.1451311 0.1185825 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.8311806000 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.31D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000309 0.000171 0.000273 Ang= -0.05 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.57186370 A.U. after 11 cycles NFock= 11 Conv=0.91D-08 -V/T= 2.0037 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 0.000462435 -0.000826458 0.000138129 2 6 0.000583078 0.000476130 -0.000015942 3 8 0.000415273 0.000683079 -0.000406089 4 7 0.000176145 0.000754773 -0.000152753 5 8 0.000122425 0.000128853 -0.000094030 6 6 -0.000017836 0.000967413 -0.000233543 7 6 -0.000674861 -0.001154660 0.000263965 8 7 -0.000310294 0.000410905 -0.000342905 9 6 0.000569377 0.000097355 -0.000433067 10 7 -0.000865374 0.000055997 0.000285387 11 6 -0.000045963 0.000047078 0.000616046 12 7 0.000520710 0.000049014 0.000053085 13 6 0.000825157 -0.000172320 0.000202647 14 7 -0.001531342 -0.000268718 -0.000252443 15 1 -0.000109558 -0.000067738 -0.000549252 16 1 0.000027401 -0.000061574 0.000248512 17 1 -0.000014131 -0.000036271 0.000068155 18 6 -0.000138942 -0.000626766 0.000178096 19 35 -0.000093186 -0.000056093 0.000290011 20 1 0.000184797 0.000118704 0.000007151 21 1 -0.000361609 -0.000134913 -0.000185256 22 1 0.000044126 -0.000644390 0.000443249 23 7 -0.000018676 0.000356213 0.000186486 24 1 -0.000070721 -0.000198963 0.000090658 25 6 -0.000191178 0.000112263 -0.000258620 26 6 0.000240863 -0.000414984 -0.000036860 27 1 -0.000017598 0.000046748 -0.000002815 28 1 -0.000007896 0.000076613 0.000046844 29 1 0.000041431 0.000061316 -0.000136186 30 1 0.000086037 0.000076977 0.000133526 31 1 0.000143546 0.000140099 -0.000122573 32 1 0.000026362 0.000004313 -0.000029615 ------------------------------------------------------------------- Cartesian Forces: Max 0.001531342 RMS 0.000380398 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001086718 RMS 0.000245988 Search for a local minimum. Step number 8 out of a maximum of 168 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 4 5 6 7 8 DE= -5.38D-05 DEPred=-4.73D-05 R= 1.14D+00 TightC=F SS= 1.41D+00 RLast= 8.80D-02 DXNew= 1.7335D+00 2.6409D-01 Trust test= 1.14D+00 RLast= 8.80D-02 DXMaxT set to 1.03D+00 ITU= 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00189 0.00313 0.01050 0.01269 0.01306 Eigenvalues --- 0.01406 0.01616 0.01640 0.01724 0.01800 Eigenvalues --- 0.01860 0.01931 0.02118 0.02147 0.02331 Eigenvalues --- 0.02388 0.02464 0.02597 0.02675 0.03392 Eigenvalues --- 0.04802 0.05458 0.05502 0.05784 0.06161 Eigenvalues --- 0.07522 0.07685 0.07759 0.07769 0.08736 Eigenvalues --- 0.15885 0.15942 0.15991 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16009 0.16047 0.16090 Eigenvalues --- 0.16365 0.16523 0.18339 0.18727 0.21482 Eigenvalues --- 0.21803 0.23121 0.24248 0.24910 0.24972 Eigenvalues --- 0.24991 0.24998 0.24999 0.25015 0.26041 Eigenvalues --- 0.28036 0.28962 0.30532 0.32437 0.33678 Eigenvalues --- 0.33721 0.33743 0.33758 0.33763 0.33779 Eigenvalues --- 0.33829 0.33840 0.34030 0.34690 0.38231 Eigenvalues --- 0.39446 0.40569 0.40737 0.41099 0.41632 Eigenvalues --- 0.42050 0.43402 0.45558 0.46549 0.47775 Eigenvalues --- 0.48628 0.48820 0.50882 0.52795 0.58904 Eigenvalues --- 0.63296 0.69250 0.77065 0.81981 0.88230 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 8 7 6 5 RFO step: Lambda=-1.14097927D-04. DidBck=F Rises=F RFO-DIIS coefs: 2.84593 -1.17806 -0.88179 0.21392 Iteration 1 RMS(Cart)= 0.03088116 RMS(Int)= 0.00076419 Iteration 2 RMS(Cart)= 0.00084612 RMS(Int)= 0.00001990 Iteration 3 RMS(Cart)= 0.00000138 RMS(Int)= 0.00001988 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00001988 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87834 0.00007 0.00030 0.00056 0.00085 2.87919 R2 2.63585 -0.00003 -0.00014 0.00074 0.00060 2.63646 R3 2.73674 0.00109 -0.00886 0.00466 -0.00420 2.73255 R4 2.04146 -0.00001 -0.00000 -0.00022 -0.00022 2.04124 R5 2.05369 0.00011 -0.00036 0.00033 -0.00002 2.05367 R6 2.04817 0.00001 -0.00091 0.00047 -0.00044 2.04773 R7 2.04051 0.00030 -0.00056 0.00058 0.00002 2.04053 R8 1.78944 0.00055 -0.00239 0.00137 -0.00102 1.78842 R9 2.59215 0.00048 -0.00054 0.00079 0.00025 2.59240 R10 2.42297 0.00018 -0.00059 0.00053 -0.00005 2.42292 R11 2.25738 -0.00003 0.00003 0.00012 0.00015 2.25753 R12 2.71556 0.00101 -0.00060 0.00168 0.00107 2.71663 R13 2.65796 -0.00030 -0.00534 0.00123 -0.00411 2.65385 R14 2.60134 -0.00031 0.00030 0.00030 0.00057 2.60191 R15 2.57616 0.00066 -0.00263 0.00114 -0.00150 2.57466 R16 2.39856 0.00053 -0.00248 0.00137 -0.00112 2.39745 R17 2.60890 -0.00003 0.00183 -0.00031 0.00154 2.61044 R18 3.52671 0.00017 -0.00485 0.00466 -0.00019 3.52652 R19 2.58068 0.00017 -0.00174 0.00126 -0.00046 2.58022 R20 2.55554 0.00059 -0.00017 0.00120 0.00104 2.55658 R21 2.44836 0.00025 -0.00312 0.00130 -0.00181 2.44654 R22 2.55968 0.00106 0.00109 -0.00001 0.00107 2.56075 R23 1.88528 0.00009 -0.00027 0.00027 -0.00000 1.88528 R24 2.50541 0.00056 -0.00323 0.00222 -0.00101 2.50441 R25 2.03799 0.00019 0.00112 -0.00046 0.00066 2.03865 R26 2.75031 0.00043 -0.00132 0.00091 -0.00042 2.74989 R27 2.74911 0.00051 -0.00071 0.00084 0.00012 2.74924 R28 2.04010 0.00001 -0.00100 0.00050 -0.00050 2.03960 R29 2.04477 0.00007 -0.00042 0.00026 -0.00016 2.04460 R30 2.04452 0.00010 -0.00035 0.00031 -0.00004 2.04448 R31 2.03864 0.00009 -0.00130 0.00076 -0.00054 2.03810 R32 2.04935 0.00001 -0.00004 0.00012 0.00007 2.04942 R33 2.04858 -0.00003 -0.00051 0.00012 -0.00039 2.04819 A1 1.96819 0.00005 -0.00217 0.00269 0.00054 1.96873 A2 1.97215 -0.00054 0.00559 -0.00296 0.00263 1.97478 A3 1.90132 0.00031 -0.00537 0.00233 -0.00305 1.89827 A4 1.86701 0.00046 -0.00516 0.00514 -0.00000 1.86701 A5 1.92744 -0.00029 0.00205 -0.00326 -0.00122 1.92622 A6 1.82223 -0.00001 0.00576 -0.00462 0.00115 1.82337 A7 1.90880 0.00042 -0.00511 0.00373 -0.00138 1.90741 A8 1.92076 0.00013 -0.00161 0.00155 -0.00007 1.92070 A9 1.94893 -0.00052 0.00654 -0.00479 0.00176 1.95068 A10 1.88376 -0.00016 -0.00129 0.00016 -0.00113 1.88263 A11 1.89439 0.00005 0.00183 -0.00015 0.00168 1.89607 A12 1.90587 0.00010 -0.00056 -0.00037 -0.00093 1.90494 A13 1.91547 0.00019 0.00230 0.00049 0.00280 1.91826 A14 2.04772 -0.00027 -0.00106 0.00158 0.00052 2.04824 A15 2.27766 0.00021 -0.00277 0.00077 -0.00201 2.27565 A16 2.09787 -0.00023 0.00327 -0.00142 0.00184 2.09971 A17 1.90766 0.00002 -0.00049 0.00066 0.00017 1.90783 A18 2.27752 0.00018 -0.00171 0.00145 -0.00025 2.27727 A19 2.07825 -0.00021 0.00224 -0.00147 0.00078 2.07904 A20 1.92740 0.00003 -0.00053 0.00002 -0.00052 1.92688 A21 1.82588 -0.00014 -0.00083 0.00108 0.00025 1.82613 A22 1.99187 0.00027 0.00170 -0.00160 0.00010 1.99197 A23 2.14419 -0.00015 0.00063 0.00015 0.00072 2.14491 A24 2.14707 -0.00012 -0.00219 0.00147 -0.00078 2.14629 A25 2.27939 0.00031 -0.00159 0.00027 -0.00144 2.27794 A26 2.17673 -0.00011 0.00356 -0.00175 0.00166 2.17839 A27 1.82612 -0.00020 -0.00289 0.00180 -0.00113 1.82499 A28 1.85338 0.00005 0.00247 -0.00117 0.00132 1.85470 A29 2.23983 0.00008 -0.00231 0.00062 -0.00170 2.23814 A30 2.18990 -0.00013 -0.00022 0.00061 0.00036 2.19027 A31 1.97728 -0.00000 -0.00000 0.00057 0.00057 1.97785 A32 2.17267 0.00002 -0.00068 0.00284 0.00216 2.17483 A33 1.96569 0.00010 -0.00060 -0.00182 -0.00242 1.96328 A34 2.14482 -0.00013 0.00128 -0.00102 0.00025 2.14507 A35 2.21848 0.00024 -0.00075 0.00065 -0.00011 2.21838 A36 2.02329 0.00007 0.00166 0.00009 0.00175 2.02504 A37 2.04140 -0.00031 -0.00090 -0.00074 -0.00164 2.03977 A38 2.13811 -0.00043 0.00246 -0.00194 0.00052 2.13863 A39 2.12878 0.00008 0.00008 0.00015 0.00023 2.12901 A40 2.01630 0.00034 -0.00254 0.00179 -0.00075 2.01555 A41 2.08196 -0.00017 0.00097 -0.00074 0.00022 2.08217 A42 2.08172 0.00015 -0.00065 0.00068 0.00001 2.08172 A43 2.11942 0.00002 -0.00041 0.00004 -0.00039 2.11903 A44 1.90324 0.00002 0.00133 -0.00093 0.00040 1.90364 A45 1.92867 0.00003 0.00025 -0.00006 0.00019 1.92886 A46 1.92886 0.00009 0.00082 0.00024 0.00106 1.92993 A47 1.90723 -0.00006 -0.00037 0.00002 -0.00035 1.90688 A48 1.90695 -0.00009 -0.00038 -0.00011 -0.00049 1.90647 A49 1.88865 -0.00000 -0.00169 0.00085 -0.00084 1.88781 A50 1.90588 0.00002 0.00016 -0.00004 0.00012 1.90600 A51 1.94402 0.00012 0.00169 0.00004 0.00174 1.94576 A52 1.93969 0.00002 -0.00031 -0.00035 -0.00066 1.93903 A53 1.88750 -0.00010 0.00037 -0.00027 0.00010 1.88760 A54 1.88589 -0.00010 -0.00004 -0.00046 -0.00050 1.88539 A55 1.89923 0.00002 -0.00191 0.00107 -0.00085 1.89839 D1 1.09237 -0.00017 0.01467 -0.01058 0.00409 1.09646 D2 -3.12427 -0.00004 0.00902 -0.00720 0.00183 -3.12244 D3 -1.00467 -0.00018 0.01159 -0.00982 0.00178 -1.00289 D4 -3.07078 0.00007 0.01046 -0.00399 0.00648 -3.06431 D5 -1.00423 0.00020 0.00482 -0.00060 0.00422 -1.00002 D6 1.11536 0.00006 0.00739 -0.00322 0.00417 1.11953 D7 -1.05400 -0.00006 0.01742 -0.00993 0.00748 -1.04652 D8 1.01255 0.00007 0.01178 -0.00655 0.00523 1.01777 D9 3.13214 -0.00007 0.01435 -0.00916 0.00518 3.13732 D10 -0.85196 0.00012 0.09642 0.00524 0.10166 -0.75030 D11 -3.03057 0.00045 0.09446 0.00349 0.09795 -2.93262 D12 1.27978 0.00035 0.08944 0.00777 0.09720 1.37699 D13 -1.17007 -0.00008 -0.00576 -0.00308 -0.00884 -1.17891 D14 2.02568 -0.00013 0.02530 -0.01234 0.01298 2.03866 D15 1.00613 -0.00005 -0.00851 0.00212 -0.00640 0.99973 D16 -2.08130 -0.00010 0.02255 -0.00714 0.01542 -2.06588 D17 3.04961 -0.00017 -0.00574 -0.00149 -0.00725 3.04236 D18 -0.03782 -0.00022 0.02532 -0.01075 0.01458 -0.02325 D19 0.04119 0.00012 0.03743 -0.00129 0.03613 0.07733 D20 -3.10369 0.00013 0.03321 0.00174 0.03495 -3.06874 D21 -3.13530 0.00007 0.00609 0.00170 0.00779 -3.12750 D22 0.00749 0.00004 0.00792 -0.00081 0.00711 0.01460 D23 0.00696 -0.00005 0.00363 -0.00391 -0.00028 0.00668 D24 -3.13924 -0.00001 0.00517 -0.00272 0.00246 -3.13679 D25 -3.13606 -0.00001 -0.00011 0.00007 -0.00004 -3.13610 D26 0.00092 0.00002 0.00143 0.00126 0.00270 0.00362 D27 3.13978 0.00001 -0.00515 0.00253 -0.00262 3.13717 D28 -0.00611 0.00003 -0.00391 0.00303 -0.00087 -0.00698 D29 -0.00055 -0.00001 -0.00185 -0.00098 -0.00283 -0.00338 D30 3.13674 0.00000 -0.00061 -0.00048 -0.00108 3.13566 D31 3.14056 0.00003 -0.00070 0.00256 0.00186 -3.14077 D32 0.00327 0.00000 -0.00214 0.00145 -0.00069 0.00257 D33 3.13423 0.00003 -0.00440 0.00285 -0.00155 3.13268 D34 0.00483 -0.00003 0.00160 -0.00228 -0.00069 0.00415 D35 -0.01111 0.00006 -0.00315 0.00383 0.00067 -0.01043 D36 -3.14050 -0.00000 0.00285 -0.00131 0.00153 -3.13897 D37 0.00613 -0.00006 0.00682 -0.00638 0.00044 0.00658 D38 -3.12446 -0.00025 0.00422 -0.00902 -0.00483 -3.12929 D39 -3.10857 0.00005 0.01744 0.00102 0.01840 -3.09016 D40 -0.01298 0.00010 -0.00884 0.00880 -0.00003 -0.01301 D41 0.02201 0.00024 0.02008 0.00365 0.02369 0.04570 D42 3.11760 0.00028 -0.00620 0.01144 0.00526 3.12286 D43 3.11288 -0.00003 -0.01769 0.00016 -0.01756 3.09532 D44 -0.04046 0.00003 -0.02349 0.00511 -0.01841 -0.05887 D45 0.01378 -0.00009 0.00671 -0.00709 -0.00039 0.01339 D46 -3.13956 -0.00003 0.00091 -0.00214 -0.00124 -3.14080 D47 -0.01034 0.00003 -0.00425 0.00250 -0.00174 -0.01208 D48 -3.13755 -0.00004 0.00283 -0.00355 -0.00073 -3.13828 D49 -3.13504 -0.00001 -0.00090 0.00139 0.00048 -3.13456 D50 0.01017 -0.00002 0.00373 -0.00195 0.00179 0.01196 D51 3.13921 0.00000 0.00326 -0.00152 0.00174 3.14094 D52 0.00195 -0.00001 0.00200 -0.00203 -0.00003 0.00192 D53 -0.00561 0.00002 -0.00089 0.00147 0.00058 -0.00503 D54 3.14032 -0.00000 -0.00214 0.00096 -0.00118 3.13913 D55 -0.00160 -0.00001 0.00167 -0.00160 0.00006 -0.00154 D56 -3.12854 0.00003 0.00986 -0.00028 0.00958 -3.11896 D57 3.13887 0.00002 -0.00006 0.00076 0.00070 3.13957 D58 0.01193 0.00006 0.00814 0.00208 0.01022 0.02215 D59 -3.12769 -0.00001 0.00076 -0.00068 0.00008 -3.12761 D60 1.05880 0.00004 0.00022 -0.00008 0.00014 1.05894 D61 -1.03122 -0.00004 0.00163 -0.00125 0.00038 -1.03084 D62 -0.00108 -0.00004 -0.00762 -0.00203 -0.00965 -0.01073 D63 -2.09778 -0.00000 -0.00816 -0.00143 -0.00959 -2.10736 D64 2.09539 -0.00008 -0.00674 -0.00260 -0.00935 2.08605 D65 -3.09444 0.00011 0.01741 0.00497 0.02237 -3.07207 D66 1.10527 0.00015 0.01579 0.00530 0.02110 1.12636 D67 -1.01564 0.00002 0.01728 0.00415 0.02143 -0.99420 D68 0.06213 0.00015 0.02577 0.00633 0.03210 0.09423 D69 -2.02135 0.00019 0.02416 0.00666 0.03082 -1.99053 D70 2.14094 0.00006 0.02564 0.00551 0.03115 2.17209 Item Value Threshold Converged? Maximum Force 0.001087 0.000450 NO RMS Force 0.000246 0.000300 YES Maximum Displacement 0.154457 0.001800 NO RMS Displacement 0.030886 0.001200 NO Predicted change in Energy=-5.919694D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.114649 -4.812070 2.191367 2 6 0 7.131331 -5.121752 3.683070 3 8 0 7.195272 -5.958423 1.400275 4 7 0 7.676775 0.084226 0.312734 5 8 0 3.264917 -0.815778 0.023129 6 6 0 4.315522 -1.270860 0.364120 7 6 0 4.634933 -2.551212 0.934482 8 7 0 3.823232 -3.619533 1.243674 9 6 0 4.610343 -4.492228 1.721584 10 7 0 5.931786 -4.093056 1.773305 11 6 0 5.930717 -2.833124 1.247116 12 7 0 7.019143 -2.043860 1.096513 13 6 0 6.747710 -0.890528 0.574707 14 7 0 5.491839 -0.515421 0.230673 15 1 0 7.931447 -4.141960 1.966479 16 1 0 8.077179 -5.590185 3.941869 17 1 0 7.047458 -4.204477 4.253846 18 6 0 8.908027 -0.202784 0.526188 19 35 0 4.033481 -6.171707 2.295272 20 1 0 5.385063 0.395100 -0.162832 21 1 0 6.328573 -5.787562 3.962793 22 1 0 7.842765 -6.550221 1.755493 23 7 0 9.887956 0.666058 0.323196 24 1 0 9.214801 -1.173079 0.884302 25 6 0 9.567787 1.999970 -0.162316 26 6 0 11.263219 0.255777 0.561647 27 1 0 10.482232 2.560746 -0.281594 28 1 0 8.922895 2.513808 0.538196 29 1 0 9.056359 1.945582 -1.114142 30 1 0 11.916237 1.101542 0.415218 31 1 0 11.567930 -0.528749 -0.122334 32 1 0 11.394419 -0.097239 1.577971 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523601 0.000000 3 O 1.395153 2.432131 0.000000 4 N 5.274368 6.225663 6.158587 0.000000 5 O 5.957519 6.847316 6.617478 4.512025 0.000000 6 C 4.869713 5.811503 5.598198 3.624489 1.194632 7 C 3.583326 4.516017 4.287351 4.072457 2.391493 8 N 3.626802 4.376167 4.106773 5.425337 3.108454 9 C 2.567984 3.255627 2.989118 5.686105 4.267458 10 N 1.446001 2.478775 2.283669 4.756884 4.573386 11 C 2.491893 3.551502 3.374915 3.526006 3.560101 12 N 2.978391 4.021975 3.930279 2.361258 4.093232 13 C 4.257549 5.264252 5.154167 1.371837 3.526992 14 N 4.993898 5.985421 5.822020 2.267213 2.256651 15 H 1.080176 2.132338 2.040117 4.545369 6.051164 16 H 2.143872 1.086755 2.715337 6.747584 7.830029 17 H 2.151163 1.083611 3.352766 5.858444 6.609831 18 C 5.218672 6.108912 6.068355 1.282153 5.698554 19 Br 3.369422 3.553176 3.292937 7.506048 5.868500 20 H 5.970623 6.948098 6.788771 2.361091 2.448638 21 H 2.169666 1.079800 2.710509 7.044038 7.044542 22 H 1.934247 2.502442 0.946389 6.791538 7.539337 23 N 6.418035 7.237850 7.231486 2.286472 6.793417 24 H 4.400149 5.269342 5.219601 2.067131 6.022491 25 C 7.613251 8.452351 8.450238 2.733436 6.905722 26 C 6.749051 7.465494 7.474474 3.599162 8.087711 27 H 8.474347 9.271886 9.284881 3.789058 7.973920 28 H 7.724715 8.449954 8.689451 2.739802 6.585147 29 H 7.769330 8.755924 8.500544 2.721007 6.516080 30 H 7.821813 8.503151 8.549909 4.361017 8.869904 31 H 6.597860 7.433720 7.135813 3.963093 8.309246 32 H 6.397056 6.917449 7.212343 3.931238 8.307986 6 7 8 9 10 6 C 0.000000 7 C 1.437580 0.000000 8 N 2.555822 1.376869 0.000000 9 C 3.508110 2.094677 1.268676 0.000000 10 N 3.544418 2.182369 2.225024 1.381385 0.000000 11 C 2.414374 1.362450 2.249433 2.172817 1.365396 12 N 2.905769 2.442973 3.566266 3.491065 2.416526 13 C 2.470736 2.711298 4.055559 4.342339 3.515474 14 N 1.404357 2.318206 3.666869 4.337607 3.920808 15 H 4.887297 3.802959 4.203904 3.348491 2.009565 16 H 6.753290 5.488970 5.409233 4.260767 3.398055 17 H 5.585655 4.423995 4.449599 3.526285 2.722172 18 C 4.717854 4.892969 6.167990 6.188569 5.054457 19 Br 5.275149 3.914266 2.768331 1.866156 2.863006 20 H 2.048663 3.232267 4.531540 5.295015 4.918443 21 H 6.115833 4.744791 4.286105 3.106964 2.796899 22 H 6.499924 5.191947 5.000754 3.832107 3.112847 23 N 5.899605 6.190213 7.482943 7.511098 6.356356 24 H 4.927787 4.782986 5.931551 5.737492 4.482720 25 C 6.209811 6.800681 8.158157 8.382956 7.354733 26 C 7.116188 7.207799 8.416448 8.255287 6.986032 27 H 7.288790 7.861415 9.212197 9.393414 8.318789 28 H 5.965057 6.648165 8.007630 8.311622 7.356826 29 H 5.916612 6.630764 7.994713 8.321887 7.386844 30 H 7.962523 8.162697 9.405935 9.293704 8.040019 31 H 7.306489 7.298880 8.449809 8.216885 6.932810 32 H 7.277472 7.219883 8.357104 8.084568 6.770899 11 12 13 14 15 11 C 0.000000 12 N 1.352882 0.000000 13 C 2.212078 1.294655 0.000000 14 N 2.568563 2.327759 1.355093 0.000000 15 H 2.496688 2.447685 3.729621 4.702817 0.000000 16 H 4.412526 4.668181 5.932289 6.797808 2.453724 17 H 3.488287 3.825940 4.960662 5.675826 2.453037 18 C 4.037672 2.698650 2.267667 3.443168 4.306420 19 Br 3.980487 5.233577 6.182090 6.195397 4.407053 20 H 3.564705 3.194479 2.013358 0.997646 5.621650 21 H 4.032604 4.765266 5.969569 6.513395 3.043432 22 H 4.210841 4.628163 5.884346 6.653626 2.419111 23 N 5.362614 4.021412 3.513880 4.553053 5.444754 24 H 3.697646 2.371540 2.502443 3.836690 3.410624 25 C 6.210762 4.942954 4.104998 4.805724 6.703184 26 C 6.200544 4.856603 4.658756 5.832076 5.693360 27 H 7.221293 5.924066 5.156665 5.884661 7.515757 28 H 6.168094 4.970747 4.040082 4.587259 6.879115 29 H 6.179095 4.995287 4.028100 4.535512 6.914754 30 H 7.211109 5.859969 5.541430 6.627331 6.766038 31 H 6.242091 4.946979 4.883776 6.086351 5.535562 32 H 6.119360 4.812917 4.819518 6.068817 5.338810 16 17 18 19 20 16 H 0.000000 17 H 1.754378 0.000000 18 C 6.432828 5.776737 0.000000 19 Br 4.404651 4.097569 7.906890 0.000000 20 H 7.740782 6.589895 3.639160 7.140869 0.000000 21 H 1.759835 1.762858 7.046530 2.862803 7.492417 22 H 2.399346 3.518067 6.552551 3.865913 7.612999 23 N 7.450791 6.873175 1.325274 9.215150 4.537145 24 H 5.491240 5.023999 1.078810 7.336429 4.268791 25 C 8.756523 8.021826 2.400301 10.170771 4.480044 26 C 7.466728 7.162320 2.399681 9.827875 5.924272 27 H 9.489973 8.839464 3.281422 11.157166 5.539428 28 H 8.830342 7.903080 2.716660 10.120863 4.182896 29 H 9.127423 8.406795 2.707058 10.136262 4.097244 30 H 8.482620 8.160509 3.280687 10.889105 6.594652 31 H 7.370293 7.286740 2.757158 9.718833 6.251638 32 H 6.838462 6.551777 2.701765 9.570638 6.275760 21 22 23 24 25 21 H 0.000000 22 H 2.783271 0.000000 23 N 8.219798 7.636030 0.000000 24 H 6.253069 5.617393 2.037254 0.000000 25 C 9.389073 8.930814 1.455180 3.359799 0.000000 26 C 8.511197 7.710148 1.454833 2.518284 2.537877 27 H 10.245094 9.701867 2.075759 4.111830 1.079308 28 H 9.347252 9.208969 2.095650 3.714585 1.081958 29 H 9.644564 9.049104 2.096348 3.707416 1.081892 30 H 9.553378 8.771487 2.076545 3.562541 2.579910 31 H 8.473148 7.325381 2.109117 2.639260 3.224374 32 H 7.983104 7.367953 2.103928 2.527715 3.280772 26 27 28 29 30 26 C 0.000000 27 H 2.575632 0.000000 28 H 3.252134 1.762325 0.000000 29 H 3.245604 1.762009 1.752403 0.000000 30 H 1.078514 2.161295 3.312057 3.351156 0.000000 31 H 1.084509 3.278579 4.085298 3.662511 1.751607 32 H 1.083858 3.369711 3.742610 4.109394 1.749675 31 32 31 H 0.000000 32 H 1.762766 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.265627 -1.927290 -0.019585 2 6 0 -1.861743 -2.566463 1.228399 3 8 0 -1.928862 -2.302084 -1.188388 4 7 0 3.358913 0.608377 0.035071 5 8 0 0.213855 3.843534 0.007921 6 6 0 0.370544 2.659226 0.010759 7 6 0 -0.592828 1.592201 0.007832 8 7 0 -1.969091 1.630609 -0.006064 9 6 0 -2.323703 0.412512 -0.000997 10 7 0 -1.271313 -0.481957 0.024010 11 6 0 -0.153757 0.302478 0.017974 12 7 0 1.121943 -0.147602 0.035496 13 6 0 2.000951 0.802888 0.028640 14 7 0 1.665451 2.115761 0.019702 15 1 0 -0.219962 -2.191425 -0.079564 16 1 0 -1.755142 -3.646093 1.164593 17 1 0 -1.326940 -2.231060 2.109139 18 6 0 3.781372 -0.599901 -0.039155 19 35 0 -4.111111 -0.122848 -0.034199 20 1 0 2.416038 2.772959 0.017101 21 1 0 -2.909360 -2.329057 1.338419 22 1 0 -2.112243 -3.230379 -1.171327 23 7 0 5.070672 -0.906280 -0.025355 24 1 0 3.106077 -1.437531 -0.117795 25 6 0 6.055116 0.160590 0.075678 26 6 0 5.472024 -2.299772 -0.142130 27 1 0 7.044702 -0.269906 0.058380 28 1 0 5.922378 0.713075 0.996425 29 1 0 5.952734 0.851911 -0.750205 30 1 0 6.543620 -2.369897 -0.042353 31 1 0 5.194591 -2.713623 -1.105415 32 1 0 5.022356 -2.902056 0.638767 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5713439 0.1449958 0.1185419 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.9606453662 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.31D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 -0.000683 0.000125 0.000328 Ang= -0.09 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.57195592 A.U. after 12 cycles NFock= 12 Conv=0.79D-08 -V/T= 2.0037 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 0.001823921 -0.001667145 0.000791980 2 6 0.000564462 0.000543585 -0.000190379 3 8 0.000175203 0.000962792 -0.000440131 4 7 0.000401283 0.000518132 -0.000067978 5 8 0.000081346 0.000306853 -0.000236068 6 6 -0.000888152 -0.000054937 0.000073759 7 6 -0.001341706 -0.001222808 0.000308258 8 7 -0.000742587 0.000867014 -0.000435820 9 6 0.001508606 -0.000011685 -0.000188015 10 7 -0.002753612 0.000469277 -0.000110884 11 6 0.000858290 0.000707994 0.000397040 12 7 0.000961270 -0.000750013 0.000328936 13 6 0.000341835 0.000686514 -0.000415936 14 7 -0.000621107 0.000377641 -0.000276331 15 1 -0.000132374 -0.000000700 -0.000698535 16 1 0.000008552 -0.000166987 0.000326896 17 1 -0.000053212 0.000084857 0.000046094 18 6 -0.000509740 -0.001311593 0.000669595 19 35 -0.000211413 -0.000201990 0.000135827 20 1 0.000014454 0.000091389 0.000029827 21 1 -0.000357002 -0.000173764 -0.000187485 22 1 0.000337303 -0.000866379 0.000594352 23 7 0.000507259 0.000640427 0.000199657 24 1 -0.000236757 -0.000066269 0.000002920 25 6 -0.000363624 0.000243317 -0.000415137 26 6 0.000231840 -0.000527818 -0.000139997 27 1 0.000195009 0.000106491 0.000005345 28 1 -0.000032036 0.000005531 0.000157574 29 1 0.000053451 -0.000032759 -0.000216750 30 1 0.000195560 0.000299598 0.000167149 31 1 0.000088132 0.000162857 -0.000258673 32 1 -0.000104455 -0.000019421 0.000042909 ------------------------------------------------------------------- Cartesian Forces: Max 0.002753612 RMS 0.000610444 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002644670 RMS 0.000394355 Search for a local minimum. Step number 9 out of a maximum of 168 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 5 6 7 8 9 DE= -9.22D-05 DEPred=-5.92D-05 R= 1.56D+00 TightC=F SS= 1.41D+00 RLast= 1.99D-01 DXNew= 1.7335D+00 5.9720D-01 Trust test= 1.56D+00 RLast= 1.99D-01 DXMaxT set to 1.03D+00 ITU= 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00081 0.00309 0.00925 0.01269 0.01334 Eigenvalues --- 0.01408 0.01641 0.01669 0.01741 0.01801 Eigenvalues --- 0.01860 0.01931 0.02121 0.02191 0.02361 Eigenvalues --- 0.02439 0.02492 0.02631 0.02695 0.03400 Eigenvalues --- 0.04702 0.05451 0.05512 0.05794 0.06261 Eigenvalues --- 0.07509 0.07674 0.07756 0.07763 0.08784 Eigenvalues --- 0.15881 0.15972 0.15989 0.16000 0.16000 Eigenvalues --- 0.16000 0.16009 0.16018 0.16086 0.16156 Eigenvalues --- 0.16337 0.16513 0.18378 0.18775 0.21467 Eigenvalues --- 0.22011 0.23007 0.24517 0.24888 0.24957 Eigenvalues --- 0.24994 0.24998 0.25000 0.25205 0.25924 Eigenvalues --- 0.28568 0.29336 0.30535 0.32783 0.33678 Eigenvalues --- 0.33720 0.33743 0.33759 0.33763 0.33778 Eigenvalues --- 0.33829 0.33853 0.34063 0.34701 0.38220 Eigenvalues --- 0.39746 0.40662 0.41049 0.41486 0.41636 Eigenvalues --- 0.42806 0.43754 0.45686 0.46536 0.47841 Eigenvalues --- 0.48669 0.49395 0.50947 0.52580 0.60274 Eigenvalues --- 0.64773 0.69262 0.77197 0.86563 1.09877 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 9 8 7 6 5 RFO step: Lambda=-1.92567404D-04. DidBck=F Rises=F RFO-DIIS coefs: 2.09417 0.41662 -1.14247 -0.64439 0.27607 Iteration 1 RMS(Cart)= 0.05390751 RMS(Int)= 0.00240771 Iteration 2 RMS(Cart)= 0.00266022 RMS(Int)= 0.00005950 Iteration 3 RMS(Cart)= 0.00001265 RMS(Int)= 0.00005893 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00005893 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87919 -0.00006 0.00105 -0.00000 0.00105 2.88024 R2 2.63646 -0.00014 0.00020 0.00032 0.00053 2.63698 R3 2.73255 0.00264 -0.01059 0.00553 -0.00506 2.72749 R4 2.04124 0.00004 -0.00024 -0.00014 -0.00038 2.04086 R5 2.05367 0.00016 -0.00024 0.00019 -0.00005 2.05362 R6 2.04773 0.00010 -0.00120 0.00047 -0.00073 2.04700 R7 2.04053 0.00032 -0.00001 0.00009 0.00008 2.04060 R8 1.78842 0.00100 -0.00265 0.00111 -0.00154 1.78688 R9 2.59240 0.00027 0.00019 -0.00018 0.00001 2.59241 R10 2.42292 0.00017 -0.00047 0.00038 -0.00009 2.42283 R11 2.25753 0.00011 0.00013 0.00005 0.00018 2.25770 R12 2.71663 0.00085 0.00148 0.00031 0.00179 2.71842 R13 2.65385 0.00084 -0.00870 0.00273 -0.00598 2.64787 R14 2.60191 -0.00044 0.00045 0.00015 0.00052 2.60242 R15 2.57466 0.00122 -0.00318 0.00128 -0.00193 2.57273 R16 2.39745 0.00107 -0.00287 0.00126 -0.00163 2.39582 R17 2.61044 -0.00038 0.00263 -0.00077 0.00192 2.61236 R18 3.52652 0.00029 -0.00434 0.00373 -0.00062 3.52591 R19 2.58022 0.00039 -0.00184 0.00118 -0.00060 2.57962 R20 2.55658 0.00032 0.00140 -0.00012 0.00129 2.55786 R21 2.44654 0.00083 -0.00426 0.00142 -0.00284 2.44371 R22 2.56075 0.00117 0.00288 -0.00095 0.00192 2.56268 R23 1.88528 0.00007 -0.00016 0.00013 -0.00003 1.88525 R24 2.50441 0.00122 -0.00335 0.00201 -0.00133 2.50307 R25 2.03865 -0.00001 0.00177 -0.00078 0.00098 2.03964 R26 2.74989 0.00048 -0.00108 0.00050 -0.00059 2.74930 R27 2.74924 0.00038 0.00001 0.00008 0.00009 2.74933 R28 2.03960 0.00022 -0.00134 0.00073 -0.00062 2.03898 R29 2.04460 0.00012 -0.00043 0.00014 -0.00029 2.04431 R30 2.04448 0.00017 -0.00024 0.00020 -0.00003 2.04445 R31 2.03810 0.00033 -0.00155 0.00090 -0.00064 2.03745 R32 2.04942 0.00007 0.00002 0.00016 0.00018 2.04960 R33 2.04819 0.00003 -0.00082 0.00016 -0.00067 2.04753 A1 1.96873 0.00005 -0.00150 0.00244 0.00095 1.96968 A2 1.97478 -0.00080 0.00577 -0.00208 0.00370 1.97849 A3 1.89827 0.00046 -0.00584 0.00150 -0.00436 1.89391 A4 1.86701 0.00068 -0.00437 0.00435 -0.00001 1.86701 A5 1.92622 -0.00036 0.00035 -0.00231 -0.00197 1.92425 A6 1.82337 -0.00006 0.00621 -0.00452 0.00169 1.82506 A7 1.90741 0.00057 -0.00434 0.00256 -0.00178 1.90563 A8 1.92070 -0.00000 -0.00112 0.00041 -0.00070 1.91999 A9 1.95068 -0.00054 0.00552 -0.00252 0.00300 1.95369 A10 1.88263 -0.00013 -0.00202 0.00041 -0.00163 1.88100 A11 1.89607 -0.00004 0.00323 -0.00061 0.00262 1.89869 A12 1.90494 0.00015 -0.00147 -0.00017 -0.00164 1.90330 A13 1.91826 0.00011 0.00456 -0.00006 0.00451 1.92277 A14 2.04824 -0.00078 -0.00071 -0.00014 -0.00085 2.04739 A15 2.27565 0.00041 -0.00394 0.00110 -0.00284 2.27281 A16 2.09971 -0.00041 0.00419 -0.00132 0.00286 2.10257 A17 1.90783 0.00000 -0.00024 0.00022 -0.00002 1.90780 A18 2.27727 0.00021 -0.00150 0.00110 -0.00041 2.27686 A19 2.07904 -0.00030 0.00232 -0.00127 0.00107 2.08011 A20 1.92688 0.00009 -0.00080 0.00017 -0.00066 1.92622 A21 1.82613 -0.00023 -0.00088 0.00086 -0.00003 1.82610 A22 1.99197 0.00034 0.00211 -0.00144 0.00072 1.99269 A23 2.14491 -0.00037 0.00137 -0.00055 0.00071 2.14562 A24 2.14629 0.00004 -0.00328 0.00197 -0.00142 2.14487 A25 2.27794 0.00047 -0.00266 0.00074 -0.00233 2.27561 A26 2.17839 -0.00042 0.00480 -0.00230 0.00206 2.18045 A27 1.82499 -0.00004 -0.00382 0.00190 -0.00206 1.82293 A28 1.85470 -0.00016 0.00335 -0.00149 0.00195 1.85665 A29 2.23814 0.00044 -0.00337 0.00140 -0.00201 2.23613 A30 2.19027 -0.00028 -0.00003 0.00010 0.00001 2.19028 A31 1.97785 -0.00013 0.00059 -0.00031 0.00029 1.97814 A32 2.17483 -0.00078 0.00171 -0.00011 0.00159 2.17642 A33 1.96328 0.00089 -0.00278 0.00040 -0.00239 1.96089 A34 2.14507 -0.00011 0.00106 -0.00029 0.00076 2.14583 A35 2.21838 0.00010 -0.00041 0.00026 -0.00016 2.21822 A36 2.02504 -0.00002 0.00337 -0.00089 0.00249 2.02752 A37 2.03977 -0.00008 -0.00295 0.00063 -0.00232 2.03745 A38 2.13863 -0.00048 0.00179 -0.00075 0.00103 2.13966 A39 2.12901 -0.00001 0.00042 -0.00037 0.00005 2.12906 A40 2.01555 0.00049 -0.00221 0.00113 -0.00108 2.01446 A41 2.08217 -0.00019 0.00073 -0.00037 0.00028 2.08245 A42 2.08172 0.00024 -0.00035 0.00054 0.00010 2.08182 A43 2.11903 -0.00005 -0.00063 -0.00020 -0.00091 2.11812 A44 1.90364 -0.00003 0.00150 -0.00104 0.00047 1.90410 A45 1.92886 -0.00010 0.00055 -0.00070 -0.00015 1.92871 A46 1.92993 -0.00000 0.00194 -0.00035 0.00160 1.93152 A47 1.90688 0.00003 -0.00089 0.00055 -0.00034 1.90655 A48 1.90647 -0.00002 -0.00107 0.00040 -0.00067 1.90580 A49 1.88781 0.00013 -0.00212 0.00118 -0.00094 1.88687 A50 1.90600 0.00002 0.00017 -0.00005 0.00012 1.90612 A51 1.94576 0.00001 0.00340 -0.00058 0.00282 1.94857 A52 1.93903 -0.00014 -0.00067 -0.00111 -0.00178 1.93725 A53 1.88760 -0.00002 0.00008 0.00036 0.00043 1.88803 A54 1.88539 -0.00002 -0.00089 0.00015 -0.00074 1.88465 A55 1.89839 0.00016 -0.00220 0.00129 -0.00091 1.89748 D1 1.09646 -0.00023 0.01462 -0.00796 0.00666 1.10312 D2 -3.12244 -0.00004 0.00887 -0.00568 0.00320 -3.11924 D3 -1.00289 -0.00022 0.00994 -0.00730 0.00265 -1.00024 D4 -3.06431 0.00011 0.01211 -0.00192 0.01020 -3.05411 D5 -1.00002 0.00030 0.00636 0.00037 0.00673 -0.99328 D6 1.11953 0.00012 0.00744 -0.00125 0.00618 1.12571 D7 -1.04652 -0.00013 0.01940 -0.00774 0.01165 -1.03487 D8 1.01777 0.00005 0.01365 -0.00546 0.00819 1.02596 D9 3.13732 -0.00013 0.01473 -0.00708 0.00764 -3.13823 D10 -0.75030 -0.00002 0.17851 0.00082 0.17932 -0.57098 D11 -2.93262 0.00047 0.17530 -0.00133 0.17396 -2.75865 D12 1.37699 0.00035 0.17017 0.00278 0.17294 1.54993 D13 -1.17891 -0.00011 -0.01777 -0.00150 -0.01927 -1.19819 D14 2.03866 -0.00019 0.02741 -0.00862 0.01883 2.05749 D15 0.99973 -0.00008 -0.01896 0.00342 -0.01557 0.98416 D16 -2.06588 -0.00016 0.02621 -0.00371 0.02253 -2.04335 D17 3.04236 -0.00021 -0.01755 0.00059 -0.01700 3.02536 D18 -0.02325 -0.00029 0.02762 -0.00654 0.02109 -0.00215 D19 0.07733 0.00005 0.06638 -0.00411 0.06227 0.13960 D20 -3.06874 0.00000 0.06128 -0.00430 0.05699 -3.01175 D21 -3.12750 -0.00001 0.01261 -0.00095 0.01167 -3.11584 D22 0.01460 0.00003 0.01344 -0.00047 0.01298 0.02757 D23 0.00668 -0.00004 0.00254 -0.00228 0.00028 0.00696 D24 -3.13679 -0.00004 0.00738 -0.00287 0.00451 -3.13228 D25 -3.13610 -0.00000 -0.00125 0.00079 -0.00044 -3.13654 D26 0.00362 0.00000 0.00359 0.00019 0.00379 0.00741 D27 3.13717 0.00006 -0.00708 0.00322 -0.00385 3.13331 D28 -0.00698 0.00007 -0.00418 0.00291 -0.00126 -0.00824 D29 -0.00338 0.00002 -0.00373 0.00051 -0.00321 -0.00659 D30 3.13566 0.00003 -0.00083 0.00021 -0.00062 3.13504 D31 -3.14077 0.00001 0.00082 0.00051 0.00132 -3.13945 D32 0.00257 0.00000 -0.00370 0.00107 -0.00263 -0.00005 D33 3.13268 -0.00002 -0.00458 0.00030 -0.00427 3.12841 D34 0.00415 -0.00003 0.00027 -0.00103 -0.00078 0.00336 D35 -0.01043 -0.00001 -0.00065 -0.00018 -0.00083 -0.01126 D36 -3.13897 -0.00003 0.00420 -0.00151 0.00266 -3.13631 D37 0.00658 0.00001 0.00680 -0.00158 0.00521 0.01179 D38 -3.12929 -0.00010 -0.00472 0.00059 -0.00421 -3.13350 D39 -3.09016 -0.00007 0.03088 -0.00442 0.02630 -3.06386 D40 -0.01301 -0.00002 -0.00730 0.00149 -0.00579 -0.01879 D41 0.04570 0.00005 0.04246 -0.00660 0.03573 0.08143 D42 3.12286 0.00009 0.00429 -0.00070 0.00364 3.12649 D43 3.09532 0.00010 -0.03117 0.00491 -0.02636 3.06896 D44 -0.05887 0.00012 -0.03587 0.00621 -0.02975 -0.08862 D45 0.01339 0.00002 0.00436 -0.00069 0.00364 0.01703 D46 -3.14080 0.00004 -0.00035 0.00061 0.00025 -3.14055 D47 -0.01208 0.00003 -0.00454 0.00105 -0.00346 -0.01554 D48 -3.13828 0.00001 0.00118 -0.00052 0.00064 -3.13764 D49 -3.13456 -0.00006 -0.00110 -0.00048 -0.00160 -3.13615 D50 0.01196 -0.00001 0.00451 -0.00028 0.00424 0.01619 D51 3.14094 0.00002 0.00454 -0.00032 0.00421 -3.13803 D52 0.00192 0.00002 0.00161 -0.00001 0.00160 0.00352 D53 -0.00503 -0.00002 -0.00046 -0.00050 -0.00097 -0.00600 D54 3.13913 -0.00003 -0.00340 -0.00019 -0.00358 3.13556 D55 -0.00154 0.00002 0.00156 -0.00040 0.00115 -0.00040 D56 -3.11896 0.00008 0.01784 0.00124 0.01909 -3.09987 D57 3.13957 -0.00001 0.00078 -0.00086 -0.00008 3.13949 D58 0.02215 0.00004 0.01707 0.00078 0.01786 0.04001 D59 -3.12761 -0.00002 0.00053 -0.00087 -0.00034 -3.12795 D60 1.05894 0.00003 0.00033 -0.00046 -0.00013 1.05881 D61 -1.03084 -0.00006 0.00136 -0.00125 0.00011 -1.03072 D62 -0.01073 -0.00007 -0.01611 -0.00254 -0.01865 -0.02938 D63 -2.10736 -0.00002 -0.01631 -0.00213 -0.01844 -2.12580 D64 2.08605 -0.00011 -0.01528 -0.00292 -0.01820 2.06785 D65 -3.07207 0.00018 0.03726 0.00595 0.04321 -3.02885 D66 1.12636 0.00019 0.03494 0.00590 0.04084 1.16720 D67 -0.99420 0.00007 0.03587 0.00542 0.04129 -0.95291 D68 0.09423 0.00024 0.05389 0.00763 0.06152 0.15575 D69 -1.99053 0.00025 0.05158 0.00758 0.05915 -1.93138 D70 2.17209 0.00013 0.05250 0.00710 0.05959 2.23169 Item Value Threshold Converged? Maximum Force 0.002645 0.000450 NO RMS Force 0.000394 0.000300 NO Maximum Displacement 0.265433 0.001800 NO RMS Displacement 0.053838 0.001200 NO Predicted change in Energy=-9.126929D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.115715 -4.802761 2.213807 2 6 0 7.128853 -5.121334 3.704242 3 8 0 7.205218 -5.943411 1.414973 4 7 0 7.676385 0.093006 0.327330 5 8 0 3.279901 -0.844005 -0.038969 6 6 0 4.328908 -1.286689 0.322950 7 6 0 4.646645 -2.561114 0.909673 8 7 0 3.835882 -3.632124 1.213198 9 6 0 4.618878 -4.494862 1.713152 10 7 0 5.936670 -4.084777 1.792451 11 6 0 5.936334 -2.831210 1.252076 12 7 0 7.021252 -2.033086 1.117601 13 6 0 6.752043 -0.889245 0.577784 14 7 0 5.499812 -0.526187 0.204767 15 1 0 7.933843 -4.131137 1.999477 16 1 0 8.079487 -5.579921 3.963036 17 1 0 7.034834 -4.208159 4.279259 18 6 0 8.911194 -0.201861 0.506492 19 35 0 4.042236 -6.170490 2.297171 20 1 0 5.396683 0.380601 -0.198184 21 1 0 6.331257 -5.795095 3.979821 22 1 0 7.731707 -6.601346 1.843978 23 7 0 9.887741 0.674190 0.323813 24 1 0 9.224592 -1.187085 0.816441 25 6 0 9.560789 2.027894 -0.097173 26 6 0 11.267872 0.247708 0.497110 27 1 0 10.473149 2.593105 -0.208234 28 1 0 8.929373 2.510870 0.636549 29 1 0 9.031974 2.017059 -1.040938 30 1 0 11.916405 1.105795 0.422612 31 1 0 11.564086 -0.467252 -0.262795 32 1 0 11.416280 -0.200076 1.472531 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524158 0.000000 3 O 1.395432 2.433597 0.000000 4 N 5.276521 6.236398 6.151691 0.000000 5 O 5.954848 6.864518 6.597424 4.510126 0.000000 6 C 4.868716 5.829008 5.581284 3.620660 1.194726 7 C 3.580790 4.530530 4.271014 4.069743 2.390894 8 N 3.623385 4.389386 4.090867 5.423174 3.106548 9 C 2.565083 3.264488 2.979323 5.684838 4.265154 10 N 1.443326 2.480060 2.281716 4.756791 4.573305 11 C 2.490558 3.560883 3.364877 3.526184 3.559834 12 N 2.980217 4.029834 3.925929 2.360931 4.092588 13 C 4.257280 5.275159 5.143039 1.371843 3.526783 14 N 4.993643 6.001290 5.806835 2.266251 2.255752 15 H 1.079976 2.129489 2.038842 4.550357 6.051419 16 H 2.143044 1.086730 2.718289 6.750033 7.840980 17 H 2.150856 1.083223 3.353247 5.876168 6.638083 18 C 5.225605 6.132174 6.058143 1.282107 5.693973 19 Br 3.365101 3.550744 3.291549 7.504578 5.866016 20 H 5.969925 6.964239 6.772459 2.357099 2.450668 21 H 2.172305 1.079841 2.713716 7.058314 7.069282 22 H 1.936783 2.452438 0.945576 6.864228 7.517383 23 N 6.422865 7.254437 7.223518 2.286456 6.789703 24 H 4.412834 5.311293 5.201803 2.067560 6.015710 25 C 7.614254 8.454379 8.448492 2.734039 6.906572 26 C 6.759785 7.499586 7.461741 3.598824 8.080030 27 H 8.475700 9.273853 9.283657 3.789355 7.974032 28 H 7.698461 8.420401 8.663344 2.740741 6.605153 29 H 7.795855 8.780390 8.528635 2.722454 6.501997 30 H 7.820872 8.512748 8.536473 4.360342 8.865888 31 H 6.687167 7.554413 7.197428 3.971946 8.295768 32 H 6.342638 6.897923 7.121956 3.922268 8.300598 6 7 8 9 10 6 C 0.000000 7 C 1.438527 0.000000 8 N 2.556693 1.377144 0.000000 9 C 3.508435 2.094213 1.267815 0.000000 10 N 3.545931 2.182890 2.225699 1.382401 0.000000 11 C 2.415086 1.361430 2.248304 2.171639 1.365077 12 N 2.904702 2.441477 3.565479 3.490906 2.416853 13 C 2.468701 2.708874 4.053533 4.340498 3.514495 14 N 1.401194 2.316401 3.665029 4.336087 3.921116 15 H 4.888475 3.802410 4.202444 3.347129 2.008410 16 H 6.763794 5.497329 5.418829 4.267921 3.396846 17 H 5.613323 4.446382 4.468315 3.536091 2.721286 18 C 4.712524 4.890297 6.166435 6.189496 5.057521 19 Br 5.275532 3.913829 2.767830 1.865831 2.862485 20 H 2.047335 3.231654 4.531010 5.294178 4.918720 21 H 6.140671 4.766798 4.308079 3.124202 2.804546 22 H 6.491390 5.168560 4.938787 3.760864 3.091591 23 N 5.894546 6.187044 7.480664 7.510677 6.357329 24 H 4.921501 4.780612 5.930752 5.740912 4.489949 25 C 6.207700 6.798643 8.156435 8.381295 7.353208 26 C 7.108721 7.204189 8.414294 8.257109 6.990712 27 H 7.286059 7.858998 9.210172 9.391671 8.317241 28 H 5.973615 6.643898 8.000784 8.295765 7.334504 29 H 5.907095 6.632923 7.999610 8.334599 7.405498 30 H 7.956382 8.156768 9.400412 9.289066 8.035903 31 H 7.304956 7.321881 8.480573 8.268127 6.998453 32 H 7.261756 7.191611 8.325181 8.044113 6.724535 11 12 13 14 15 11 C 0.000000 12 N 1.353563 0.000000 13 C 2.211624 1.293154 0.000000 14 N 2.569152 2.327830 1.356111 0.000000 15 H 2.497691 2.452009 3.731987 4.705439 0.000000 16 H 4.415634 4.668662 5.935022 6.805846 2.444535 17 H 3.502360 3.837604 4.979566 5.702166 2.451847 18 C 4.039698 2.701614 2.267049 3.440022 4.315487 19 Br 3.978771 5.232976 6.179878 6.193612 4.403656 20 H 3.565138 3.193180 2.012867 0.997632 5.623404 21 H 4.047366 4.777145 5.984838 6.534809 3.042828 22 H 4.217539 4.679890 5.932208 6.676520 2.483339 23 N 5.363126 4.021965 3.513037 4.550714 5.451306 24 H 3.702103 2.379311 2.501832 3.832090 3.425354 25 C 6.210317 4.941303 4.105401 4.806873 6.706457 26 C 6.202822 4.860124 4.657454 5.827083 5.705010 27 H 7.220692 5.922421 5.156667 5.885120 7.519142 28 H 6.154265 4.951754 4.037945 4.601309 6.853095 29 H 6.192464 5.010585 4.032982 4.527256 6.946246 30 H 7.207584 5.856458 5.538492 6.624461 6.765557 31 H 6.289255 4.999467 4.903102 6.082558 5.632104 32 H 6.082867 4.775161 4.799024 6.059552 5.278094 16 17 18 19 20 16 H 0.000000 17 H 1.753005 0.000000 18 C 6.446935 5.814200 0.000000 19 Br 4.407184 4.090850 7.908085 0.000000 20 H 7.748613 6.617231 3.631476 7.139896 0.000000 21 H 1.761502 1.761547 7.071376 2.865633 7.514544 22 H 2.377955 3.484763 6.643303 3.742087 7.640049 23 N 7.458394 6.900867 1.324568 9.214864 4.530814 24 H 5.523526 5.090485 1.079330 7.340551 4.259106 25 C 8.749766 8.026329 2.399623 10.168619 4.479236 26 C 7.492644 7.216510 2.399194 9.830732 5.913708 27 H 9.483010 8.844026 3.280606 11.155012 5.537670 28 H 8.789126 7.874260 2.715908 10.099891 4.208887 29 H 9.146644 8.428903 2.707902 10.152655 4.074748 30 H 8.482650 8.181783 3.278459 10.883971 6.589238 31 H 7.492628 7.425549 2.774901 9.780521 6.225744 32 H 6.802907 6.568069 2.684900 9.523781 6.274075 21 22 23 24 25 21 H 0.000000 22 H 2.678270 0.000000 23 N 8.238120 7.739045 0.000000 24 H 6.293816 5.709532 2.036368 0.000000 25 C 9.394196 9.032020 1.454868 3.359138 0.000000 26 C 8.544876 7.824836 1.454881 2.517061 2.537000 27 H 10.249731 9.811474 2.075575 4.110802 1.078981 28 H 9.322915 9.269562 2.095153 3.714080 1.081804 29 H 9.671176 9.180977 2.097184 3.708571 1.081876 30 H 9.563990 8.884369 2.076420 3.557845 2.582512 31 H 8.588842 7.533441 2.111192 2.675097 3.204120 32 H 7.965438 7.395290 2.102457 2.491613 3.297069 26 27 28 29 30 26 C 0.000000 27 H 2.574875 0.000000 28 H 3.257287 1.761722 0.000000 29 H 3.239665 1.761310 1.751668 0.000000 30 H 1.078174 2.166343 3.307924 3.360405 0.000000 31 H 1.084604 3.249447 4.076732 3.631652 1.751682 32 H 1.083504 3.393571 3.772638 4.113165 1.748643 31 32 31 H 0.000000 32 H 1.761983 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.270298 -1.925474 -0.010452 2 6 0 -1.876472 -2.576120 1.227396 3 8 0 -1.922510 -2.290266 -1.188916 4 7 0 3.359221 0.605156 0.061345 5 8 0 0.217974 3.840383 -0.022955 6 6 0 0.376393 2.656316 -0.006923 7 6 0 -0.589070 1.589910 -0.002437 8 7 0 -1.965465 1.630579 -0.022590 9 6 0 -2.322026 0.414074 -0.004309 10 7 0 -1.271369 -0.483121 0.042533 11 6 0 -0.153613 0.300370 0.028460 12 7 0 1.122368 -0.150149 0.060697 13 6 0 2.001179 0.798326 0.042390 14 7 0 1.667564 2.112452 0.013899 15 1 0 -0.225698 -2.194619 -0.062614 16 1 0 -1.761238 -3.654412 1.156760 17 1 0 -1.351301 -2.244896 2.115010 18 6 0 3.783818 -0.598626 -0.058757 19 35 0 -4.109698 -0.119581 -0.031926 20 1 0 2.420704 2.766670 0.006947 21 1 0 -2.926026 -2.344640 1.331849 22 1 0 -2.246107 -3.176193 -1.121590 23 7 0 5.071398 -0.907704 -0.025741 24 1 0 3.110851 -1.431251 -0.195881 25 6 0 6.053653 0.150572 0.152777 26 6 0 5.476275 -2.291311 -0.221669 27 1 0 7.042813 -0.280275 0.141201 28 1 0 5.896930 0.658058 1.095219 29 1 0 5.975076 0.882234 -0.640287 30 1 0 6.537363 -2.378015 -0.051282 31 1 0 5.266754 -2.630456 -1.230355 32 1 0 4.970562 -2.946540 0.477553 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5722980 0.1449207 0.1185751 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1841.4226196847 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.32D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999999 -0.001098 0.000144 0.000432 Ang= -0.14 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.57206733 A.U. after 13 cycles NFock= 13 Conv=0.41D-08 -V/T= 2.0037 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 0.003286415 -0.003130089 0.001481408 2 6 0.000697544 0.000817074 -0.000409587 3 8 0.000807579 0.001259569 -0.000410871 4 7 0.000774131 0.000175234 -0.000053621 5 8 0.000037682 0.000568351 -0.000496858 6 6 -0.002136855 -0.001664006 0.000686685 7 6 -0.002204293 -0.001070168 0.000253304 8 7 -0.001244729 0.001296320 -0.001059830 9 6 0.002753037 -0.000004486 0.000878878 10 7 -0.005557707 0.001380860 -0.001204184 11 6 0.001931468 0.001577905 0.000638747 12 7 0.001432434 -0.002032775 0.000603645 13 6 -0.000491819 0.002273024 -0.000894857 14 7 0.000944230 0.001305783 -0.000429644 15 1 -0.000223965 -0.000042122 -0.001008153 16 1 -0.000065360 -0.000328878 0.000332789 17 1 -0.000166656 0.000248808 0.000077493 18 6 -0.000896653 -0.002279361 0.001003092 19 35 -0.000351641 -0.000532390 0.000100312 20 1 -0.000223208 0.000067030 0.000038623 21 1 -0.000487197 -0.000253033 -0.000224134 22 1 0.000447018 -0.001355707 0.000799508 23 7 0.001235357 0.001024284 0.000347170 24 1 -0.000475349 0.000206853 -0.000008388 25 6 -0.000557825 0.000381789 -0.000646402 26 6 0.000171685 -0.000572327 -0.000328517 27 1 0.000469364 0.000187112 0.000026763 28 1 -0.000074322 -0.000083802 0.000286302 29 1 0.000058717 -0.000131207 -0.000346047 30 1 0.000354678 0.000589033 0.000292847 31 1 0.000024682 0.000232277 -0.000440051 32 1 -0.000268441 -0.000110953 0.000113579 ------------------------------------------------------------------- Cartesian Forces: Max 0.005557707 RMS 0.001156106 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005080352 RMS 0.000706887 Search for a local minimum. Step number 10 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 8 9 10 DE= -1.11D-04 DEPred=-9.13D-05 R= 1.22D+00 TightC=F SS= 1.41D+00 RLast= 3.53D-01 DXNew= 1.7335D+00 1.0579D+00 Trust test= 1.22D+00 RLast= 3.53D-01 DXMaxT set to 1.06D+00 ITU= 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00033 0.00308 0.00906 0.01269 0.01342 Eigenvalues --- 0.01410 0.01643 0.01697 0.01800 0.01834 Eigenvalues --- 0.01880 0.01938 0.02134 0.02190 0.02359 Eigenvalues --- 0.02429 0.02474 0.02614 0.02691 0.03404 Eigenvalues --- 0.04757 0.05434 0.05539 0.05805 0.06302 Eigenvalues --- 0.07501 0.07665 0.07756 0.07756 0.08790 Eigenvalues --- 0.15915 0.15970 0.15989 0.16000 0.16000 Eigenvalues --- 0.16000 0.16009 0.16031 0.16090 0.16145 Eigenvalues --- 0.16363 0.16533 0.18516 0.18817 0.21573 Eigenvalues --- 0.22171 0.22980 0.24585 0.24877 0.24938 Eigenvalues --- 0.24984 0.24991 0.25040 0.25171 0.25909 Eigenvalues --- 0.28637 0.29821 0.30491 0.32724 0.33678 Eigenvalues --- 0.33720 0.33743 0.33760 0.33766 0.33778 Eigenvalues --- 0.33829 0.33855 0.34025 0.34707 0.38216 Eigenvalues --- 0.39740 0.40670 0.41083 0.41436 0.41718 Eigenvalues --- 0.43619 0.44084 0.45826 0.46890 0.47832 Eigenvalues --- 0.48668 0.49826 0.50940 0.52770 0.60899 Eigenvalues --- 0.65323 0.69292 0.77200 0.86772 1.44076 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 10 9 8 7 6 5 RFO step: Lambda=-2.50656163D-04. DidBck=T Rises=F RFO-DIIS coefs: 0.07285 2.32335 0.42824 -1.42464 -0.75424 RFO-DIIS coefs: 0.35444 Iteration 1 RMS(Cart)= 0.01979730 RMS(Int)= 0.00024912 Iteration 2 RMS(Cart)= 0.00028150 RMS(Int)= 0.00009724 Iteration 3 RMS(Cart)= 0.00000010 RMS(Int)= 0.00009724 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88024 -0.00032 0.00033 0.00065 0.00098 2.88122 R2 2.63698 -0.00006 -0.00027 0.00065 0.00038 2.63737 R3 2.72749 0.00508 -0.00811 0.00452 -0.00360 2.72389 R4 2.04086 0.00000 0.00005 0.00006 0.00011 2.04097 R5 2.05362 0.00016 -0.00023 0.00041 0.00018 2.05380 R6 2.04700 0.00027 -0.00080 0.00051 -0.00029 2.04670 R7 2.04060 0.00046 0.00002 -0.00018 -0.00016 2.04045 R8 1.78688 0.00155 -0.00175 0.00133 -0.00042 1.78646 R9 2.59241 0.00023 0.00032 -0.00010 0.00022 2.59262 R10 2.42283 0.00021 -0.00047 0.00048 0.00001 2.42284 R11 2.25770 0.00033 -0.00001 0.00013 0.00012 2.25782 R12 2.71842 0.00056 0.00039 0.00071 0.00110 2.71952 R13 2.64787 0.00260 -0.00522 0.00199 -0.00324 2.64463 R14 2.60242 -0.00046 0.00001 0.00034 0.00023 2.60266 R15 2.57273 0.00192 -0.00203 0.00096 -0.00110 2.57163 R16 2.39582 0.00191 -0.00195 0.00120 -0.00077 2.39505 R17 2.61236 -0.00099 0.00139 0.00018 0.00166 2.61402 R18 3.52591 0.00062 -0.00471 0.00476 0.00005 3.52596 R19 2.57962 0.00073 -0.00167 0.00136 -0.00022 2.57940 R20 2.55786 0.00014 0.00066 0.00013 0.00080 2.55867 R21 2.44371 0.00194 -0.00257 0.00115 -0.00143 2.44228 R22 2.56268 0.00114 0.00195 -0.00081 0.00112 2.56380 R23 1.88525 0.00007 -0.00015 0.00016 0.00001 1.88526 R24 2.50307 0.00214 -0.00278 0.00223 -0.00056 2.50251 R25 2.03964 -0.00033 0.00129 -0.00073 0.00056 2.04020 R26 2.74930 0.00055 -0.00069 0.00048 -0.00021 2.74910 R27 2.74933 0.00018 0.00004 0.00023 0.00027 2.74960 R28 2.03898 0.00049 -0.00108 0.00074 -0.00034 2.03864 R29 2.04431 0.00020 -0.00025 0.00018 -0.00006 2.04425 R30 2.04445 0.00027 -0.00024 0.00022 -0.00002 2.04443 R31 2.03745 0.00066 -0.00128 0.00090 -0.00038 2.03707 R32 2.04960 0.00016 -0.00014 0.00016 0.00001 2.04962 R33 2.04753 0.00011 -0.00040 0.00020 -0.00020 2.04732 A1 1.96968 -0.00009 -0.00272 0.00350 0.00081 1.97049 A2 1.97849 -0.00167 0.00333 -0.00044 0.00292 1.98141 A3 1.89391 0.00089 -0.00280 0.00059 -0.00225 1.89166 A4 1.86701 0.00167 -0.00530 0.00288 -0.00238 1.86463 A5 1.92425 -0.00069 0.00216 -0.00178 0.00035 1.92461 A6 1.82506 -0.00014 0.00605 -0.00551 0.00055 1.82561 A7 1.90563 0.00068 -0.00337 0.00305 -0.00033 1.90530 A8 1.91999 -0.00006 -0.00063 0.00054 -0.00010 1.91989 A9 1.95369 -0.00068 0.00360 -0.00253 0.00108 1.95476 A10 1.88100 -0.00004 -0.00096 -0.00039 -0.00137 1.87964 A11 1.89869 -0.00006 0.00158 -0.00061 0.00096 1.89965 A12 1.90330 0.00019 -0.00033 0.00000 -0.00032 1.90298 A13 1.92277 0.00027 0.00145 -0.00055 0.00090 1.92367 A14 2.04739 -0.00089 -0.00011 -0.00012 -0.00023 2.04716 A15 2.27281 0.00067 -0.00215 0.00073 -0.00143 2.27138 A16 2.10257 -0.00077 0.00243 -0.00104 0.00138 2.10395 A17 1.90780 0.00010 -0.00026 0.00032 0.00005 1.90785 A18 2.27686 0.00030 -0.00141 0.00127 -0.00015 2.27671 A19 2.08011 -0.00042 0.00178 -0.00128 0.00054 2.08064 A20 1.92622 0.00012 -0.00035 0.00000 -0.00039 1.92582 A21 1.82610 -0.00029 -0.00112 0.00151 0.00037 1.82647 A22 1.99269 0.00031 0.00201 -0.00223 -0.00014 1.99255 A23 2.14562 -0.00047 0.00107 -0.00093 -0.00005 2.14557 A24 2.14487 0.00016 -0.00285 0.00317 0.00014 2.14502 A25 2.27561 0.00041 -0.00112 0.00142 -0.00036 2.27525 A26 2.18045 -0.00071 0.00403 -0.00330 -0.00001 2.18044 A27 1.82293 0.00032 -0.00282 0.00207 -0.00099 1.82194 A28 1.85665 -0.00046 0.00230 -0.00137 0.00107 1.85772 A29 2.23613 0.00081 -0.00225 0.00117 -0.00114 2.23499 A30 2.19028 -0.00035 -0.00006 0.00021 0.00004 2.19031 A31 1.97814 -0.00015 0.00048 -0.00019 0.00031 1.97845 A32 2.17642 -0.00148 0.00074 0.00073 0.00146 2.17788 A33 1.96089 0.00175 -0.00125 -0.00047 -0.00173 1.95916 A34 2.14583 -0.00026 0.00054 -0.00029 0.00023 2.14606 A35 2.21822 -0.00008 -0.00028 0.00026 -0.00004 2.21817 A36 2.02752 -0.00015 0.00192 -0.00047 0.00145 2.02898 A37 2.03745 0.00023 -0.00163 0.00021 -0.00141 2.03604 A38 2.13966 -0.00062 0.00105 -0.00082 0.00024 2.13990 A39 2.12906 -0.00009 0.00051 -0.00042 0.00009 2.12915 A40 2.01446 0.00071 -0.00156 0.00123 -0.00033 2.01413 A41 2.08245 -0.00022 0.00057 -0.00038 0.00009 2.08254 A42 2.08182 0.00044 -0.00048 0.00036 -0.00022 2.08160 A43 2.11812 -0.00022 0.00009 -0.00002 -0.00005 2.11808 A44 1.90410 -0.00011 0.00140 -0.00108 0.00032 1.90443 A45 1.92871 -0.00026 0.00085 -0.00065 0.00020 1.92891 A46 1.93152 -0.00011 0.00097 -0.00034 0.00063 1.93215 A47 1.90655 0.00013 -0.00083 0.00055 -0.00028 1.90627 A48 1.90580 0.00007 -0.00075 0.00039 -0.00037 1.90543 A49 1.88687 0.00028 -0.00170 0.00118 -0.00053 1.88634 A50 1.90612 0.00002 0.00008 -0.00005 0.00003 1.90615 A51 1.94857 -0.00013 0.00165 -0.00059 0.00105 1.94963 A52 1.93725 -0.00033 0.00086 -0.00105 -0.00019 1.93706 A53 1.88803 0.00007 -0.00037 0.00028 -0.00010 1.88793 A54 1.88465 0.00006 -0.00049 0.00010 -0.00039 1.88427 A55 1.89748 0.00033 -0.00182 0.00136 -0.00045 1.89703 D1 1.10312 -0.00056 0.01132 -0.00527 0.00607 1.10919 D2 -3.11924 -0.00024 0.00774 -0.00360 0.00415 -3.11509 D3 -1.00024 -0.00050 0.00932 -0.00493 0.00440 -0.99584 D4 -3.05411 0.00032 0.00483 0.00093 0.00576 -3.04835 D5 -0.99328 0.00064 0.00124 0.00259 0.00384 -0.98944 D6 1.12571 0.00038 0.00282 0.00127 0.00409 1.12980 D7 -1.03487 -0.00025 0.01245 -0.00575 0.00668 -1.02818 D8 1.02596 0.00007 0.00886 -0.00408 0.00477 1.03073 D9 -3.13823 -0.00019 0.01044 -0.00541 0.00501 -3.13321 D10 -0.57098 -0.00024 0.05416 -0.00022 0.05395 -0.51703 D11 -2.75865 0.00072 0.05554 -0.00413 0.05142 -2.70723 D12 1.54993 0.00033 0.05020 0.00168 0.05187 1.60180 D13 -1.19819 -0.00001 -0.00493 -0.00395 -0.00889 -1.20708 D14 2.05749 -0.00029 0.01495 -0.00665 0.00837 2.06586 D15 0.98416 -0.00001 -0.00998 0.00238 -0.00765 0.97651 D16 -2.04335 -0.00030 0.00991 -0.00033 0.00961 -2.03373 D17 3.02536 -0.00012 -0.00701 -0.00098 -0.00805 3.01731 D18 -0.00215 -0.00040 0.01288 -0.00368 0.00921 0.00706 D19 0.13960 -0.00020 0.02425 0.00194 0.02618 0.16578 D20 -3.01175 -0.00013 0.02279 -0.00118 0.02162 -2.99013 D21 -3.11584 -0.00002 0.00478 -0.00137 0.00342 -3.11242 D22 0.02757 -0.00007 0.00454 0.00125 0.00580 0.03337 D23 0.00696 -0.00006 0.00277 -0.00320 -0.00041 0.00655 D24 -3.13228 -0.00013 0.00506 -0.00327 0.00178 -3.13050 D25 -3.13654 0.00005 -0.00140 0.00150 0.00014 -3.13640 D26 0.00741 -0.00001 0.00088 0.00143 0.00233 0.00975 D27 3.13331 0.00014 -0.00518 0.00377 -0.00141 3.13191 D28 -0.00824 0.00012 -0.00396 0.00376 -0.00019 -0.00844 D29 -0.00659 0.00003 -0.00151 -0.00039 -0.00190 -0.00849 D30 3.13504 0.00002 -0.00029 -0.00040 -0.00068 3.13435 D31 -3.13945 0.00005 -0.00028 0.00038 0.00009 -3.13936 D32 -0.00005 0.00011 -0.00242 0.00045 -0.00195 -0.00201 D33 3.12841 0.00002 -0.00150 -0.00102 -0.00252 3.12589 D34 0.00336 -0.00005 0.00094 -0.00134 -0.00044 0.00292 D35 -0.01126 -0.00003 0.00034 -0.00108 -0.00074 -0.01201 D36 -3.13631 -0.00010 0.00279 -0.00140 0.00134 -3.13497 D37 0.01179 -0.00014 0.00364 0.00037 0.00399 0.01578 D38 -3.13350 -0.00003 -0.00286 0.00026 -0.00275 -3.13625 D39 -3.06386 -0.00007 0.01340 -0.00306 0.01006 -3.05380 D40 -0.01879 0.00012 -0.00349 -0.00105 -0.00449 -0.02329 D41 0.08143 -0.00018 0.01998 -0.00293 0.01681 0.09823 D42 3.12649 0.00001 0.00308 -0.00092 0.00225 3.12874 D43 3.06896 0.00020 -0.01391 0.00343 -0.01066 3.05831 D44 -0.08862 0.00028 -0.01628 0.00375 -0.01268 -0.10130 D45 0.01703 -0.00004 0.00169 0.00124 0.00289 0.01992 D46 -3.14055 0.00003 -0.00068 0.00157 0.00086 -3.13968 D47 -0.01554 0.00009 -0.00221 -0.00011 -0.00228 -0.01782 D48 -3.13764 0.00001 0.00068 -0.00048 0.00017 -3.13747 D49 -3.13615 0.00001 -0.00004 -0.00216 -0.00222 -3.13837 D50 0.01619 -0.00007 0.00155 0.00127 0.00282 0.01902 D51 -3.13803 -0.00005 0.00171 0.00198 0.00366 -3.13437 D52 0.00352 -0.00004 0.00046 0.00198 0.00245 0.00597 D53 -0.00600 0.00001 0.00027 -0.00107 -0.00080 -0.00680 D54 3.13556 0.00002 -0.00098 -0.00106 -0.00202 3.13354 D55 -0.00040 -0.00004 0.00086 0.00129 0.00214 0.00175 D56 -3.09987 0.00004 0.00440 0.00236 0.00677 -3.09310 D57 3.13949 -0.00000 0.00108 -0.00117 -0.00009 3.13939 D58 0.04001 0.00009 0.00463 -0.00010 0.00453 0.04455 D59 -3.12795 -0.00004 0.00092 -0.00034 0.00059 -3.12737 D60 1.05881 0.00002 0.00053 0.00007 0.00060 1.05942 D61 -1.03072 -0.00009 0.00148 -0.00076 0.00073 -1.03000 D62 -0.02938 -0.00011 -0.00272 -0.00142 -0.00415 -0.03353 D63 -2.12580 -0.00005 -0.00311 -0.00101 -0.00413 -2.12993 D64 2.06785 -0.00016 -0.00217 -0.00184 -0.00401 2.06384 D65 -3.02885 0.00029 0.00625 0.00330 0.00956 -3.01929 D66 1.16720 0.00027 0.00565 0.00335 0.00901 1.17621 D67 -0.95291 0.00017 0.00622 0.00276 0.00899 -0.94392 D68 0.15575 0.00038 0.00989 0.00440 0.01429 0.17003 D69 -1.93138 0.00036 0.00929 0.00445 0.01373 -1.91765 D70 2.23169 0.00026 0.00986 0.00386 0.01372 2.24540 Item Value Threshold Converged? Maximum Force 0.005080 0.000450 NO RMS Force 0.000707 0.000300 NO Maximum Displacement 0.089841 0.001800 NO RMS Displacement 0.019807 0.001200 NO Predicted change in Energy=-6.172844D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.114206 -4.799122 2.223894 2 6 0 7.128180 -5.121912 3.713946 3 8 0 7.204300 -5.937004 1.420836 4 7 0 7.677108 0.094877 0.332731 5 8 0 3.287397 -0.854799 -0.063583 6 6 0 4.335478 -1.292938 0.306660 7 6 0 4.651536 -2.565328 0.900093 8 7 0 3.840301 -3.636622 1.201902 9 6 0 4.620610 -4.496437 1.709994 10 7 0 5.937229 -4.082179 1.801500 11 6 0 5.938177 -2.831667 1.254380 12 7 0 7.022135 -2.030519 1.126008 13 6 0 6.755027 -0.890981 0.577923 14 7 0 5.504458 -0.531864 0.193525 15 1 0 7.932761 -4.126738 2.013329 16 1 0 8.081847 -5.574815 3.971985 17 1 0 7.029442 -4.210894 4.291298 18 6 0 8.913300 -0.201897 0.498749 19 35 0 4.041106 -6.169131 2.299646 20 1 0 5.403990 0.373347 -0.213635 21 1 0 6.334310 -5.800432 3.988283 22 1 0 7.691370 -6.613660 1.866472 23 7 0 9.888022 0.677246 0.323465 24 1 0 9.229750 -1.192507 0.788835 25 6 0 9.557657 2.037953 -0.071068 26 6 0 11.269800 0.246414 0.472347 27 1 0 10.468769 2.605186 -0.180317 28 1 0 8.932763 2.508302 0.676266 29 1 0 9.020485 2.044173 -1.010131 30 1 0 11.917376 1.106493 0.418191 31 1 0 11.560692 -0.445805 -0.310337 32 1 0 11.426417 -0.229741 1.432813 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.524678 0.000000 3 O 1.395634 2.434855 0.000000 4 N 5.276797 6.240899 6.147447 0.000000 5 O 5.952706 6.872379 6.585927 4.508714 0.000000 6 C 4.867283 5.836936 5.571254 3.618452 1.194788 7 C 3.578691 4.537361 4.260983 4.068498 2.390702 8 N 3.621371 4.396202 4.081198 5.422235 3.105752 9 C 2.563929 3.270313 2.972255 5.684997 4.264335 10 N 1.441423 2.481302 2.278322 4.757337 4.573415 11 C 2.488751 3.565219 3.357662 3.526752 3.559729 12 N 2.979764 4.033036 3.921828 2.361267 4.092153 13 C 4.255796 5.279646 5.135631 1.371957 3.526655 14 N 4.992312 6.008192 5.797525 2.265522 2.255160 15 H 1.080034 2.128338 2.039305 4.551021 6.049674 16 H 2.143327 1.086824 2.722063 6.749325 7.845452 17 H 2.151129 1.083069 3.354040 5.884673 6.650659 18 C 5.229469 6.142531 6.054946 1.282111 5.691509 19 Br 3.365502 3.553440 3.291198 7.505135 5.864729 20 H 5.968319 6.971126 6.762629 2.354384 2.451698 21 H 2.173459 1.079759 2.714280 7.065467 7.082413 22 H 1.937373 2.440421 0.945352 6.881644 7.502304 23 N 6.426219 7.262391 7.221834 2.286347 6.787136 24 H 4.420701 5.330394 5.197319 2.067870 6.012672 25 C 7.614651 8.455316 8.447722 2.734057 6.905377 26 C 6.767150 7.515311 7.460736 3.598596 8.075806 27 H 8.476858 9.275390 9.283828 3.789228 7.972279 28 H 7.687702 8.408578 8.652466 2.742136 6.612713 29 H 7.805352 8.789226 8.538578 2.721709 6.493711 30 H 7.823510 8.520061 8.534005 4.360109 8.863143 31 H 6.718998 7.596578 7.219999 3.973424 8.287072 32 H 6.332474 6.900127 7.099244 3.920826 8.299008 6 7 8 9 10 6 C 0.000000 7 C 1.439108 0.000000 8 N 2.557247 1.377266 0.000000 9 C 3.508996 2.094296 1.267407 0.000000 10 N 3.546832 2.183203 2.226015 1.383281 0.000000 11 C 2.415472 1.360846 2.247619 2.171410 1.364961 12 N 2.904046 2.440656 3.565024 3.491291 2.417151 13 C 2.467665 2.707749 4.052595 4.340119 3.514211 14 N 1.399481 2.315532 3.664118 4.335747 3.921429 15 H 4.887083 3.800491 4.200817 3.346496 2.007239 16 H 6.767892 5.500960 5.424082 4.273133 3.396815 17 H 5.625766 4.456747 4.477139 3.542194 2.721873 18 C 4.709960 4.889736 6.166610 6.191718 5.060706 19 Br 5.275974 3.913919 2.767483 1.865856 2.863354 20 H 2.046688 3.231469 4.530863 5.294226 4.919027 21 H 6.153631 4.778549 4.320424 3.134927 2.809285 22 H 6.481134 5.153976 4.912753 3.733187 3.080524 23 N 5.891744 6.186079 7.480377 7.512328 6.359676 24 H 4.918992 4.780906 5.932157 5.745316 4.496264 25 C 6.205535 6.797307 8.155331 8.381221 7.353233 26 C 7.105060 7.203491 8.414730 8.260638 6.995690 27 H 7.283528 7.857589 9.209088 9.391874 8.317650 28 H 5.976710 6.642343 7.998097 8.290333 7.326242 29 H 5.900808 6.632057 7.999927 8.338918 7.412417 30 H 7.953294 8.155179 9.399494 9.290015 8.037290 31 H 7.300824 7.327616 8.489559 8.285776 7.021852 32 H 7.258100 7.185943 8.319214 8.037445 6.716278 11 12 13 14 15 11 C 0.000000 12 N 1.353988 0.000000 13 C 2.211584 1.292398 0.000000 14 N 2.569556 2.327839 1.356705 0.000000 15 H 2.496313 2.451675 3.730626 4.704408 0.000000 16 H 4.416509 4.667399 5.934511 6.808161 2.440387 17 H 3.509415 3.843585 4.988615 5.714244 2.451982 18 C 4.042032 2.704407 2.266991 3.438349 4.319697 19 Br 3.978708 5.233743 6.179689 6.193215 4.404353 20 H 3.565465 3.192430 2.012558 0.997638 5.621816 21 H 4.055207 4.783091 5.992518 6.545735 3.042490 22 H 4.213290 4.690559 5.940215 6.676045 2.502922 23 N 5.364732 4.023602 3.512797 4.549117 5.454992 24 H 3.706485 2.385270 2.501931 3.829967 3.433843 25 C 6.210528 4.941086 4.105433 4.806495 6.707340 26 C 6.205833 4.863574 4.657037 5.824314 5.712697 27 H 7.221080 5.922460 5.156549 5.884321 7.520786 28 H 6.149556 4.945065 4.038233 4.607486 6.841893 29 H 6.196971 5.015935 4.033527 4.521858 6.957341 30 H 7.208269 5.857067 5.537623 6.622705 6.768185 31 H 6.305026 5.017260 4.907301 6.077767 5.666619 32 H 6.076400 4.768084 4.794785 6.057781 5.265854 16 17 18 19 20 16 H 0.000000 17 H 1.752084 0.000000 18 C 6.451584 5.831329 0.000000 19 Br 4.413333 4.090418 7.911345 0.000000 20 H 7.750546 6.629614 3.626797 7.139891 0.000000 21 H 1.762116 1.761152 7.083193 2.871622 7.525766 22 H 2.380096 3.477242 6.668919 3.702657 7.640499 23 N 7.460713 6.914411 1.324273 9.217623 4.526298 24 H 5.536674 5.120475 1.079629 7.346520 4.253620 25 C 8.745201 8.029334 2.399337 10.169014 4.477074 26 C 7.503148 7.241037 2.398911 9.836272 5.907149 27 H 9.479000 8.847783 3.280295 11.155882 5.534818 28 H 8.770554 7.863757 2.716077 10.092646 4.219265 29 H 9.151585 8.437729 2.707959 10.159094 4.062647 30 H 8.484139 8.195576 3.277629 10.886239 6.584900 31 H 7.533087 7.475504 2.778991 9.803705 6.211710 32 H 6.797306 6.584368 2.681233 9.516857 6.272490 21 22 23 24 25 21 H 0.000000 22 H 2.646702 0.000000 23 N 8.247428 7.769392 0.000000 24 H 6.312924 5.737318 2.036140 0.000000 25 C 9.397264 9.060215 1.454759 3.358992 0.000000 26 C 8.560678 7.861893 1.455023 2.516438 2.536996 27 H 10.253067 9.843293 2.075577 4.110584 1.078802 28 H 9.314315 9.282663 2.095175 3.714413 1.081772 29 H 9.681813 9.219515 2.097520 3.708931 1.081865 30 H 9.571928 8.919496 2.076416 3.556137 2.583654 31 H 8.629324 7.599512 2.112053 2.683101 3.199758 32 H 7.968223 7.408985 2.102364 2.483339 3.300963 26 27 28 29 30 26 C 0.000000 27 H 2.575156 0.000000 28 H 3.258752 1.761374 0.000000 29 H 3.238688 1.760924 1.751299 0.000000 30 H 1.077972 2.168584 3.307505 3.363232 0.000000 31 H 1.084610 3.243107 4.075064 3.625238 1.751458 32 H 1.083396 3.399425 3.779888 4.114264 1.748148 31 32 31 H 0.000000 32 H 1.761615 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.271834 -1.924968 -0.007203 2 6 0 -1.881306 -2.583148 1.225674 3 8 0 -1.920163 -2.282565 -1.190244 4 7 0 3.359148 0.603357 0.071275 5 8 0 0.219731 3.837775 -0.034077 6 6 0 0.378944 2.653824 -0.013364 7 6 0 -0.587706 1.587722 -0.006433 8 7 0 -1.964160 1.629544 -0.028501 9 6 0 -2.322161 0.413951 -0.006395 10 7 0 -1.272047 -0.484683 0.050044 11 6 0 -0.154171 0.298355 0.032054 12 7 0 1.122061 -0.152304 0.069752 13 6 0 2.000877 0.795017 0.046134 14 7 0 1.668135 2.109810 0.010775 15 1 0 -0.227343 -2.195315 -0.056439 16 1 0 -1.759874 -3.660633 1.151735 17 1 0 -1.361322 -2.253639 2.116785 18 6 0 3.786053 -0.597714 -0.066524 19 35 0 -4.110612 -0.117369 -0.030139 20 1 0 2.422694 2.762377 0.001936 21 1 0 -2.932182 -2.356811 1.327219 22 1 0 -2.285084 -3.151227 -1.113108 23 7 0 5.073158 -0.906631 -0.026136 24 1 0 3.115316 -1.428175 -0.227907 25 6 0 6.052672 0.148153 0.184356 26 6 0 5.481311 -2.284890 -0.251759 27 1 0 7.042196 -0.281437 0.173964 28 1 0 5.886160 0.635937 1.135445 29 1 0 5.982039 0.896532 -0.593701 30 1 0 6.538388 -2.377456 -0.061908 31 1 0 5.292506 -2.597064 -1.273170 32 1 0 4.961215 -2.958304 0.418882 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5730431 0.1448155 0.1185615 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1841.4873095952 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.33D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 -0.000608 0.000058 0.000094 Ang= -0.07 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.57202170 A.U. after 12 cycles NFock= 12 Conv=0.55D-08 -V/T= 2.0037 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 0.003988312 -0.003959268 0.001659966 2 6 0.000815932 0.000935869 -0.000636407 3 8 0.001598394 0.001152102 -0.000079870 4 7 0.001040157 -0.000204947 0.000001336 5 8 0.000006399 0.000699859 -0.000554752 6 6 -0.002821171 -0.002604091 0.000824157 7 6 -0.002691169 -0.000969490 0.000226953 8 7 -0.001496062 0.001437428 -0.001562182 9 6 0.003460383 0.000268112 0.001723857 10 7 -0.007335906 0.002168274 -0.001744854 11 6 0.002392977 0.002063349 0.000869967 12 7 0.001816259 -0.002669881 0.000643024 13 6 -0.001134372 0.003279487 -0.000843286 14 7 0.001863933 0.001762226 -0.000546020 15 1 -0.000245869 -0.000233941 -0.001189757 16 1 -0.000182401 -0.000423705 0.000202841 17 1 -0.000284611 0.000349499 0.000063174 18 6 -0.001153672 -0.002755189 0.000860852 19 35 -0.000230983 -0.000587557 0.000066918 20 1 -0.000376292 0.000037260 0.000055103 21 1 -0.000633121 -0.000323730 -0.000210529 22 1 0.000444554 -0.001590065 0.000788423 23 7 0.001655266 0.001111889 0.000432735 24 1 -0.000588394 0.000383695 0.000060495 25 6 -0.000665590 0.000466111 -0.000711390 26 6 0.000120609 -0.000534107 -0.000356517 27 1 0.000626456 0.000217554 0.000037696 28 1 -0.000081377 -0.000139772 0.000346198 29 1 0.000063097 -0.000199658 -0.000392294 30 1 0.000440111 0.000747490 0.000319557 31 1 -0.000058915 0.000254219 -0.000514389 32 1 -0.000352934 -0.000139023 0.000158996 ------------------------------------------------------------------- Cartesian Forces: Max 0.007335906 RMS 0.001495760 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.006703045 RMS 0.000924323 Search for a local minimum. Step number 11 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 9 10 11 DE= 4.56D-05 DEPred=-6.17D-05 R=-7.39D-01 Trust test=-7.39D-01 RLast= 1.09D-01 DXMaxT set to 5.29D-01 ITU= -1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00047 0.00308 0.00928 0.01215 0.01271 Eigenvalues --- 0.01408 0.01510 0.01665 0.01714 0.01802 Eigenvalues --- 0.01873 0.01947 0.02124 0.02208 0.02357 Eigenvalues --- 0.02445 0.02602 0.02631 0.02723 0.03389 Eigenvalues --- 0.04795 0.05425 0.05468 0.05806 0.06442 Eigenvalues --- 0.07496 0.07661 0.07752 0.07756 0.08805 Eigenvalues --- 0.15822 0.15963 0.15986 0.15997 0.16000 Eigenvalues --- 0.16000 0.16004 0.16016 0.16092 0.16108 Eigenvalues --- 0.16432 0.16545 0.18728 0.19176 0.21807 Eigenvalues --- 0.22743 0.23362 0.24484 0.24826 0.24919 Eigenvalues --- 0.24966 0.24982 0.25047 0.25177 0.25700 Eigenvalues --- 0.28560 0.29746 0.31177 0.32667 0.33677 Eigenvalues --- 0.33720 0.33741 0.33759 0.33773 0.33787 Eigenvalues --- 0.33828 0.33884 0.34106 0.34705 0.38213 Eigenvalues --- 0.39556 0.40474 0.40885 0.41213 0.41567 Eigenvalues --- 0.43608 0.43714 0.45209 0.46161 0.47842 Eigenvalues --- 0.48666 0.49075 0.50941 0.52455 0.59349 Eigenvalues --- 0.63910 0.69223 0.77196 0.82604 0.88823 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 11 10 9 8 7 6 5 RFO step: Lambda=-4.24775883D-04. EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations DidBck=T Rises=T En-DIIS coefs: 0.66207 0.00000 0.33793 0.00000 0.00000 En-DIIS coefs: 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.02027432 RMS(Int)= 0.00070339 Iteration 2 RMS(Cart)= 0.00071667 RMS(Int)= 0.00001875 Iteration 3 RMS(Cart)= 0.00000107 RMS(Int)= 0.00001874 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00001874 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.88122 -0.00068 -0.00069 -0.00155 -0.00224 2.87898 R2 2.63737 0.00008 -0.00031 -0.00057 -0.00088 2.63649 R3 2.72389 0.00670 0.00292 0.00415 0.00708 2.73097 R4 2.04097 -0.00010 0.00009 -0.00126 -0.00117 2.03979 R5 2.05380 0.00006 -0.00004 -0.00077 -0.00081 2.05299 R6 2.04670 0.00035 0.00035 -0.00045 -0.00010 2.04660 R7 2.04045 0.00062 0.00003 0.00099 0.00102 2.04146 R8 1.78646 0.00174 0.00066 -0.00153 -0.00086 1.78559 R9 2.59262 0.00009 -0.00008 -0.00064 -0.00072 2.59190 R10 2.42284 0.00017 0.00003 -0.00014 -0.00011 2.42273 R11 2.25782 0.00042 -0.00010 -0.00010 -0.00020 2.25763 R12 2.71952 0.00033 -0.00098 0.00003 -0.00094 2.71858 R13 2.64463 0.00355 0.00311 -0.00035 0.00277 2.64740 R14 2.60266 -0.00051 -0.00025 -0.00000 -0.00023 2.60242 R15 2.57163 0.00233 0.00102 0.00030 0.00133 2.57295 R16 2.39505 0.00231 0.00081 -0.00024 0.00057 2.39563 R17 2.61402 -0.00166 -0.00121 -0.00240 -0.00363 2.61039 R18 3.52596 0.00062 0.00019 -0.00101 -0.00082 3.52514 R19 2.57940 0.00084 0.00028 -0.00035 -0.00009 2.57931 R20 2.55867 0.00000 -0.00071 -0.00009 -0.00080 2.55787 R21 2.44228 0.00241 0.00144 -0.00050 0.00094 2.44322 R22 2.56380 0.00111 -0.00103 0.00004 -0.00099 2.56281 R23 1.88526 0.00005 0.00001 -0.00007 -0.00006 1.88520 R24 2.50251 0.00256 0.00064 -0.00046 0.00018 2.50269 R25 2.04020 -0.00051 -0.00052 -0.00007 -0.00059 2.03961 R26 2.74910 0.00053 0.00027 -0.00030 -0.00003 2.74906 R27 2.74960 0.00000 -0.00012 -0.00072 -0.00084 2.74876 R28 2.03864 0.00064 0.00032 0.00004 0.00036 2.03900 R29 2.04425 0.00023 0.00012 -0.00038 -0.00026 2.04399 R30 2.04443 0.00031 0.00002 0.00005 0.00007 2.04450 R31 2.03707 0.00084 0.00035 0.00019 0.00054 2.03761 R32 2.04962 0.00019 -0.00006 0.00036 0.00030 2.04991 R33 2.04732 0.00015 0.00029 -0.00067 -0.00038 2.04694 A1 1.97049 -0.00042 -0.00060 -0.00068 -0.00126 1.96923 A2 1.98141 -0.00249 -0.00224 -0.00433 -0.00657 1.97484 A3 1.89166 0.00128 0.00223 0.00021 0.00244 1.89410 A4 1.86463 0.00274 0.00081 0.01001 0.01083 1.87545 A5 1.92461 -0.00100 0.00055 -0.00627 -0.00573 1.91888 A6 1.82561 -0.00012 -0.00076 0.00092 0.00017 1.82578 A7 1.90530 0.00061 0.00071 -0.00164 -0.00093 1.90437 A8 1.91989 -0.00013 0.00027 -0.00090 -0.00063 1.91926 A9 1.95476 -0.00073 -0.00138 0.00109 -0.00029 1.95447 A10 1.87964 0.00010 0.00101 0.00194 0.00295 1.88259 A11 1.89965 -0.00004 -0.00121 0.00196 0.00076 1.90041 A12 1.90298 0.00021 0.00066 -0.00236 -0.00170 1.90128 A13 1.92367 0.00051 -0.00183 0.00639 0.00457 1.92823 A14 2.04716 -0.00107 0.00036 -0.00096 -0.00059 2.04656 A15 2.27138 0.00080 0.00144 -0.00049 0.00095 2.27233 A16 2.10395 -0.00090 -0.00143 0.00072 -0.00071 2.10324 A17 1.90785 0.00010 -0.00001 -0.00023 -0.00024 1.90761 A18 2.27671 0.00034 0.00019 -0.00003 0.00016 2.27687 A19 2.08064 -0.00046 -0.00054 -0.00002 -0.00057 2.08007 A20 1.92582 0.00012 0.00036 0.00005 0.00041 1.92623 A21 1.82647 -0.00045 -0.00012 -0.00141 -0.00152 1.82495 A22 1.99255 0.00048 -0.00020 0.00200 0.00177 1.99432 A23 2.14557 -0.00036 -0.00022 0.00140 0.00120 2.14677 A24 2.14502 -0.00013 0.00043 -0.00337 -0.00292 2.14210 A25 2.27525 0.00008 0.00091 -0.00368 -0.00263 2.27262 A26 2.18044 -0.00053 -0.00069 0.00325 0.00271 2.18314 A27 1.82194 0.00048 0.00103 -0.00059 0.00048 1.82242 A28 1.85772 -0.00063 -0.00102 0.00007 -0.00098 1.85674 A29 2.23499 0.00104 0.00106 0.00028 0.00135 2.23634 A30 2.19031 -0.00040 -0.00002 -0.00033 -0.00032 2.18999 A31 1.97845 -0.00022 -0.00020 -0.00060 -0.00081 1.97764 A32 2.17788 -0.00209 -0.00103 -0.00206 -0.00310 2.17478 A33 1.95916 0.00236 0.00139 0.00151 0.00290 1.96206 A34 2.14606 -0.00026 -0.00033 0.00061 0.00028 2.14633 A35 2.21817 -0.00018 0.00007 -0.00000 0.00007 2.21824 A36 2.02898 -0.00024 -0.00133 -0.00019 -0.00153 2.02745 A37 2.03604 0.00043 0.00126 0.00020 0.00146 2.03749 A38 2.13990 -0.00058 -0.00043 0.00108 0.00065 2.14054 A39 2.12915 -0.00016 -0.00005 -0.00026 -0.00032 2.12883 A40 2.01413 0.00075 0.00048 -0.00080 -0.00033 2.01380 A41 2.08254 -0.00022 -0.00012 0.00005 -0.00008 2.08246 A42 2.08160 0.00057 0.00004 0.00111 0.00115 2.08274 A43 2.11808 -0.00035 0.00032 -0.00203 -0.00171 2.11637 A44 1.90443 -0.00017 -0.00027 -0.00033 -0.00060 1.90383 A45 1.92891 -0.00033 -0.00002 -0.00120 -0.00122 1.92770 A46 1.93215 -0.00019 -0.00075 0.00107 0.00032 1.93247 A47 1.90627 0.00020 0.00021 0.00036 0.00057 1.90684 A48 1.90543 0.00014 0.00035 -0.00007 0.00029 1.90571 A49 1.88634 0.00036 0.00050 0.00017 0.00067 1.88701 A50 1.90615 0.00003 -0.00005 0.00011 0.00006 1.90621 A51 1.94963 -0.00026 -0.00131 0.00211 0.00080 1.95043 A52 1.93706 -0.00043 0.00067 -0.00327 -0.00261 1.93446 A53 1.88793 0.00013 -0.00011 0.00130 0.00119 1.88912 A54 1.88427 0.00012 0.00038 -0.00021 0.00017 1.88443 A55 1.89703 0.00043 0.00046 0.00000 0.00046 1.89749 D1 1.10919 -0.00091 -0.00430 -0.01068 -0.01498 1.09420 D2 -3.11509 -0.00050 -0.00248 -0.00984 -0.01232 -3.12741 D3 -0.99584 -0.00081 -0.00238 -0.01274 -0.01512 -1.01096 D4 -3.04835 0.00050 -0.00539 -0.00118 -0.00657 -3.05492 D5 -0.98944 0.00091 -0.00357 -0.00033 -0.00391 -0.99335 D6 1.12980 0.00060 -0.00347 -0.00323 -0.00671 1.12310 D7 -1.02818 -0.00027 -0.00620 -0.00241 -0.00860 -1.03679 D8 1.03073 0.00014 -0.00438 -0.00156 -0.00594 1.02479 D9 -3.13321 -0.00017 -0.00428 -0.00446 -0.00874 3.14123 D10 -0.51703 -0.00043 -0.07883 0.17594 0.09711 -0.41992 D11 -2.70723 0.00104 -0.07616 0.17457 0.09839 -2.60884 D12 1.60180 0.00021 -0.07597 0.17123 0.09527 1.69707 D13 -1.20708 0.00016 0.00952 -0.01104 -0.00151 -1.20859 D14 2.06586 -0.00026 -0.00919 0.00089 -0.00830 2.05756 D15 0.97651 -0.00003 0.00785 -0.00737 0.00047 0.97698 D16 -2.03373 -0.00046 -0.01086 0.00455 -0.00632 -2.04006 D17 3.01731 0.00000 0.00847 -0.00960 -0.00112 3.01619 D18 0.00706 -0.00043 -0.01024 0.00233 -0.00791 -0.00085 D19 0.16578 -0.00039 -0.02989 0.03144 0.00155 0.16734 D20 -2.99013 -0.00012 -0.02656 0.03689 0.01032 -2.97981 D21 -3.11242 0.00004 -0.00510 0.01152 0.00642 -3.10600 D22 0.03337 -0.00017 -0.00634 0.00557 -0.00078 0.03259 D23 0.00655 -0.00003 0.00005 0.00128 0.00133 0.00787 D24 -3.13050 -0.00015 -0.00213 0.00239 0.00026 -3.13024 D25 -3.13640 0.00006 0.00010 -0.00171 -0.00161 -3.13801 D26 0.00975 -0.00006 -0.00207 -0.00061 -0.00268 0.00707 D27 3.13191 0.00014 0.00178 -0.00224 -0.00046 3.13144 D28 -0.00844 0.00012 0.00049 -0.00129 -0.00080 -0.00923 D29 -0.00849 0.00005 0.00173 0.00042 0.00214 -0.00635 D30 3.13435 0.00004 0.00044 0.00137 0.00181 3.13616 D31 -3.13936 0.00010 -0.00047 0.00250 0.00202 -3.13734 D32 -0.00201 0.00021 0.00155 0.00147 0.00301 0.00101 D33 3.12589 0.00009 0.00229 0.00087 0.00316 3.12905 D34 0.00292 -0.00005 0.00041 -0.00031 0.00011 0.00303 D35 -0.01201 -0.00001 0.00053 0.00176 0.00229 -0.00971 D36 -3.13497 -0.00015 -0.00135 0.00058 -0.00076 -3.13573 D37 0.01578 -0.00032 -0.00311 -0.00424 -0.00736 0.00843 D38 -3.13625 0.00002 0.00235 -0.00143 0.00096 -3.13529 D39 -3.05380 0.00001 -0.01229 0.01517 0.00293 -3.05087 D40 -0.02329 0.00031 0.00347 0.00537 0.00885 -0.01444 D41 0.09823 -0.00033 -0.01775 0.01232 -0.00539 0.09284 D42 3.12874 -0.00002 -0.00199 0.00253 0.00053 3.12928 D43 3.05831 0.00016 0.01251 -0.01366 -0.00111 3.05720 D44 -0.10130 0.00032 0.01434 -0.01251 0.00186 -0.09944 D45 0.01992 -0.00017 -0.00221 -0.00400 -0.00620 0.01372 D46 -3.13968 -0.00001 -0.00038 -0.00285 -0.00323 3.14027 D47 -0.01782 0.00017 0.00194 0.00146 0.00339 -0.01443 D48 -3.13747 -0.00000 -0.00027 0.00007 -0.00020 -3.13767 D49 -3.13837 0.00014 0.00129 0.00439 0.00567 -3.13270 D50 0.01902 -0.00018 -0.00239 -0.00162 -0.00401 0.01501 D51 -3.13437 -0.00017 -0.00266 -0.00452 -0.00719 -3.14156 D52 0.00597 -0.00015 -0.00137 -0.00548 -0.00686 -0.00089 D53 -0.00680 0.00007 0.00060 0.00078 0.00138 -0.00542 D54 3.13354 0.00009 0.00189 -0.00017 0.00172 3.13526 D55 0.00175 -0.00014 -0.00111 -0.00566 -0.00677 -0.00503 D56 -3.09310 -0.00005 -0.00874 0.01550 0.00676 -3.08634 D57 3.13939 0.00005 0.00006 -0.00007 -0.00001 3.13938 D58 0.04455 0.00014 -0.00757 0.02109 0.01352 0.05807 D59 -3.12737 -0.00005 -0.00008 -0.00331 -0.00340 -3.13077 D60 1.05942 0.00002 -0.00016 -0.00281 -0.00298 1.05644 D61 -1.03000 -0.00010 -0.00028 -0.00294 -0.00323 -1.03323 D62 -0.03353 -0.00012 0.00770 -0.02483 -0.01712 -0.05065 D63 -2.12993 -0.00005 0.00763 -0.02433 -0.01670 -2.14663 D64 2.06384 -0.00017 0.00750 -0.02447 -0.01696 2.04688 D65 -3.01929 0.00031 -0.01784 0.05782 0.03998 -2.97931 D66 1.17621 0.00029 -0.01685 0.05481 0.03796 1.21417 D67 -0.94392 0.00021 -0.01699 0.05564 0.03864 -0.90528 D68 0.17003 0.00040 -0.02562 0.07936 0.05374 0.22377 D69 -1.91765 0.00038 -0.02463 0.07634 0.05172 -1.86593 D70 2.24540 0.00030 -0.02477 0.07717 0.05240 2.29780 Item Value Threshold Converged? Maximum Force 0.006703 0.000450 NO RMS Force 0.000924 0.000300 NO Maximum Displacement 0.101842 0.001800 NO RMS Displacement 0.020165 0.001200 NO Predicted change in Energy=-2.150421D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.123108 -4.799930 2.221664 2 6 0 7.128918 -5.112801 3.712673 3 8 0 7.225309 -5.943018 1.428317 4 7 0 7.674500 0.100277 0.337114 5 8 0 3.286137 -0.862102 -0.071207 6 6 0 4.334335 -1.297343 0.301775 7 6 0 4.653519 -2.568119 0.895782 8 7 0 3.845965 -3.642891 1.194526 9 6 0 4.629471 -4.497480 1.707248 10 7 0 5.943595 -4.081232 1.796538 11 6 0 5.941112 -2.829089 1.253289 12 7 0 7.022644 -2.024847 1.128282 13 6 0 6.751774 -0.884257 0.583064 14 7 0 5.501553 -0.529995 0.194898 15 1 0 7.941894 -4.129569 2.008738 16 1 0 8.077569 -5.572088 3.976059 17 1 0 7.033410 -4.197120 4.283047 18 6 0 8.910553 -0.200190 0.496970 19 35 0 4.060140 -6.173671 2.295505 20 1 0 5.397176 0.375362 -0.210872 21 1 0 6.327567 -5.782760 3.988410 22 1 0 7.637477 -6.643826 1.909785 23 7 0 9.886996 0.678339 0.327570 24 1 0 9.225200 -1.192185 0.783095 25 6 0 9.559329 2.041266 -0.061451 26 6 0 11.268449 0.242653 0.460104 27 1 0 10.471772 2.608175 -0.162878 28 1 0 8.931295 2.506961 0.685966 29 1 0 9.026805 2.053058 -1.003147 30 1 0 11.914893 1.105619 0.454131 31 1 0 11.564437 -0.408916 -0.355108 32 1 0 11.419097 -0.281280 1.396112 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523492 0.000000 3 O 1.395169 2.432454 0.000000 4 N 5.278976 6.234439 6.157427 0.000000 5 O 5.957020 6.866815 6.601618 4.511167 0.000000 6 C 4.871482 5.831092 5.586513 3.620952 1.194684 7 C 3.582989 4.531874 4.276405 4.069247 2.390668 8 N 3.624006 4.390840 4.094534 5.422558 3.106167 9 C 2.564044 3.263063 2.984251 5.682326 4.264203 10 N 1.445168 2.478043 2.290115 4.755099 4.573112 11 C 2.493808 3.560167 3.372885 3.524939 3.559806 12 N 2.984404 4.028130 3.934865 2.359452 4.092949 13 C 4.260914 5.274208 5.150704 1.371576 3.526925 14 N 4.996956 6.002097 5.813216 2.266973 2.255920 15 H 1.079413 2.128631 2.034448 4.556031 6.056285 16 H 2.141291 1.086396 2.711997 6.751304 7.843606 17 H 2.149587 1.083014 3.351786 5.869327 6.642585 18 C 5.227536 6.135854 6.057023 1.282053 5.691661 19 Br 3.357736 3.542769 3.289911 7.500754 5.866274 20 H 5.973250 6.965132 6.778712 2.358424 2.450980 21 H 2.172609 1.080296 2.717665 7.053815 7.067083 22 H 1.939535 2.419312 0.944895 6.925142 7.502455 23 N 6.421690 7.252807 7.220706 2.286785 6.789942 24 H 4.416345 5.324289 5.194834 2.067372 6.009264 25 C 7.612473 8.445802 8.450790 2.734753 6.912494 26 C 6.761256 7.509714 7.452982 3.598870 8.075894 27 H 8.472285 9.263262 9.284090 3.790023 7.980262 28 H 7.682354 8.394658 8.652377 2.737400 6.617530 29 H 7.809412 8.785810 8.549541 2.727340 6.505531 30 H 7.807745 8.496611 8.522003 4.359512 8.865852 31 H 6.756195 7.638534 7.254994 3.983725 8.295555 32 H 6.289297 6.864086 7.045863 3.910125 8.284650 6 7 8 9 10 6 C 0.000000 7 C 1.438608 0.000000 8 N 2.556776 1.377143 0.000000 9 C 3.507611 2.093201 1.267710 0.000000 10 N 3.545993 2.182926 2.225896 1.381360 0.000000 11 C 2.415234 1.361548 2.248414 2.170255 1.364913 12 N 2.905061 2.441711 3.565633 3.489469 2.416533 13 C 2.468557 2.708479 4.053106 4.338587 3.513733 14 N 1.400944 2.316107 3.664744 4.334590 3.920706 15 H 4.893844 3.806601 4.204335 3.346401 2.010116 16 H 6.766506 5.498732 5.418967 4.265169 3.395116 17 H 5.616426 4.448718 4.472800 3.536082 2.717325 18 C 4.709948 4.887584 6.163507 6.185396 5.055116 19 Br 5.275292 3.912969 2.768189 1.865422 2.859138 20 H 2.047042 3.231376 4.530756 5.292744 4.918281 21 H 6.138665 4.764525 4.306179 3.120765 2.801238 22 H 6.487012 5.152048 4.888024 3.700800 3.073915 23 N 5.893728 6.184791 7.477880 7.505610 6.353093 24 H 4.915617 4.775580 5.925488 5.735831 4.488050 25 C 6.211184 6.799243 8.156571 8.377768 7.349193 26 C 7.104829 7.200524 8.410118 8.252287 6.988283 27 H 7.289521 7.859189 9.209760 9.387235 8.312151 28 H 5.979329 6.640771 7.996242 8.283170 7.318743 29 H 5.911623 6.639793 8.007166 8.342202 7.414441 30 H 7.953761 8.149783 9.391706 9.275904 8.022586 31 H 7.314040 7.347631 8.510862 8.310441 7.050486 32 H 7.240429 7.159121 8.288148 7.998261 6.676908 11 12 13 14 15 11 C 0.000000 12 N 1.353567 0.000000 13 C 2.211051 1.292895 0.000000 14 N 2.568898 2.327983 1.356181 0.000000 15 H 2.503015 2.459691 3.739115 4.711923 0.000000 16 H 4.416104 4.669649 5.936826 6.808505 2.443281 17 H 3.499151 3.830331 4.974359 5.701523 2.449977 18 C 4.037413 2.700393 2.266205 3.438211 4.320157 19 Br 3.976241 5.229874 6.176993 6.192035 4.396431 20 H 3.564847 3.193192 2.012936 0.997604 5.629979 21 H 4.044058 4.773403 5.980941 6.531813 3.042728 22 H 4.226212 4.724800 5.976394 6.699399 2.534551 23 N 5.359945 4.019063 3.512350 4.550800 5.452131 24 H 3.699429 2.379860 2.500534 3.827535 3.431808 25 C 6.208091 4.937966 4.105661 4.810680 6.706786 26 C 6.200424 4.859514 4.656758 5.824466 5.707938 27 H 7.217773 5.918485 5.156733 5.888904 7.517539 28 H 6.143002 4.937193 4.032526 4.607318 6.839018 29 H 6.200675 5.018860 4.039759 4.531542 6.962281 30 H 7.197684 5.847085 5.534802 6.623698 6.753423 31 H 6.329769 5.043765 4.926241 6.088985 5.705598 32 H 6.043183 4.737147 4.775828 6.043352 5.222603 16 17 18 19 20 16 H 0.000000 17 H 1.753581 0.000000 18 C 6.454084 5.816656 0.000000 19 Br 4.396124 4.086247 7.902132 0.000000 20 H 7.751584 6.616658 3.629892 7.138586 0.000000 21 H 1.762680 1.760477 7.072980 2.856566 7.511462 22 H 2.368922 3.461739 6.718423 3.628659 7.667146 23 N 7.460117 6.896293 1.324369 9.207337 4.532130 24 H 5.540364 5.107176 1.079316 7.333515 4.254285 25 C 8.744156 8.010767 2.399348 10.162751 4.485653 26 C 7.506988 7.229248 2.399405 9.823320 5.910978 27 H 9.475215 8.826133 3.280201 11.147802 5.544302 28 H 8.764964 7.841279 2.713820 10.083260 4.223510 29 H 9.156222 8.425093 2.709427 10.160115 4.076343 30 H 8.468814 8.161404 3.276131 10.866272 6.592128 31 H 7.587859 7.509539 2.795122 9.827138 6.218602 32 H 6.768647 6.549996 2.666051 9.470134 6.267146 21 22 23 24 25 21 H 0.000000 22 H 2.603455 0.000000 23 N 8.235113 7.821627 0.000000 24 H 6.304261 5.788842 2.035764 0.000000 25 C 9.384084 9.110988 1.454741 3.358586 0.000000 26 C 8.553762 7.918909 1.454579 2.517528 2.535373 27 H 10.237940 9.895892 2.075275 4.109932 1.078993 28 H 9.295429 9.322478 2.094199 3.712074 1.081634 29 H 9.674790 9.276379 2.097758 3.709666 1.081902 30 H 9.547728 8.970458 2.076284 3.552825 2.586492 31 H 8.670015 7.708753 2.112340 2.716808 3.179636 32 H 7.931580 7.419333 2.099997 2.453308 3.313223 26 27 28 29 30 26 C 0.000000 27 H 2.572643 0.000000 28 H 3.261961 1.761775 0.000000 29 H 3.231662 1.761288 1.751643 0.000000 30 H 1.078257 2.172780 3.304446 3.370809 0.000000 31 H 1.084767 3.214608 4.064432 3.594558 1.752570 32 H 1.083196 3.417137 3.803650 4.114443 1.748322 31 32 31 H 0.000000 32 H 1.761870 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.273636 -1.924807 -0.007252 2 6 0 -1.880266 -2.570656 1.232065 3 8 0 -1.923524 -2.296564 -1.184510 4 7 0 3.359452 0.604036 0.076679 5 8 0 0.220343 3.841730 -0.041473 6 6 0 0.378795 2.657846 -0.017350 7 6 0 -0.587165 1.591806 -0.008772 8 7 0 -1.963464 1.632837 -0.034111 9 6 0 -2.319175 0.416382 -0.005894 10 7 0 -1.270179 -0.480722 0.048568 11 6 0 -0.152290 0.302288 0.034116 12 7 0 1.123286 -0.148674 0.075125 13 6 0 2.002051 0.799434 0.054199 14 7 0 1.669300 2.113541 0.013850 15 1 0 -0.230649 -2.197709 -0.060507 16 1 0 -1.770320 -3.649143 1.161121 17 1 0 -1.351502 -2.240336 2.117625 18 6 0 3.782229 -0.597553 -0.068594 19 35 0 -4.105418 -0.120703 -0.031914 20 1 0 2.422772 2.767326 0.006147 21 1 0 -2.928388 -2.332398 1.340300 22 1 0 -2.360273 -3.127006 -1.072960 23 7 0 5.067784 -0.912779 -0.024620 24 1 0 3.108458 -1.424510 -0.233210 25 6 0 6.051632 0.137020 0.190408 26 6 0 5.472814 -2.288569 -0.267415 27 1 0 7.038840 -0.298439 0.185836 28 1 0 5.881629 0.625413 1.140409 29 1 0 5.989436 0.885332 -0.588484 30 1 0 6.519781 -2.396888 -0.033399 31 1 0 5.325179 -2.574214 -1.303432 32 1 0 4.916920 -2.970996 0.363924 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5718833 0.1450418 0.1186728 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1841.9350312580 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.33D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000479 -0.000044 0.000280 Ang= 0.06 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.57236834 A.U. after 12 cycles NFock= 12 Conv=0.64D-08 -V/T= 2.0037 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 0.003132509 -0.003361522 0.001946143 2 6 0.000845351 0.000897098 -0.000100763 3 8 0.000751114 0.002137856 -0.001245236 4 7 0.000725715 0.000497386 -0.000112178 5 8 0.000042103 0.000611658 -0.000737690 6 6 -0.002244260 -0.001750079 0.001257860 7 6 -0.002139133 -0.000971432 0.000153846 8 7 -0.001342991 0.001503957 -0.000649061 9 6 0.002691872 -0.000436605 0.000310471 10 7 -0.005164428 0.001095569 -0.001251913 11 6 0.002183803 0.001408454 0.000384191 12 7 0.001219017 -0.002229798 0.000904780 13 6 -0.000101765 0.002026848 -0.001873129 14 7 0.000941577 0.001577614 -0.000284873 15 1 -0.000325330 0.000215961 -0.001132018 16 1 0.000031766 -0.000354127 0.000542809 17 1 -0.000102159 0.000251510 0.000182067 18 6 -0.000991858 -0.002394207 0.001881769 19 35 -0.000778751 -0.000944078 0.000052702 20 1 -0.000204499 0.000091030 -0.000004910 21 1 -0.000255878 -0.000149143 -0.000264031 22 1 0.000062594 -0.001607519 0.001299671 23 7 0.001292036 0.001208941 0.000300979 24 1 -0.000528136 0.000141768 -0.000161533 25 6 -0.000494881 0.000331288 -0.000802062 26 6 0.000144466 -0.000542446 -0.000557934 27 1 0.000478472 0.000219947 0.000038465 28 1 -0.000120537 -0.000084305 0.000304799 29 1 0.000049627 -0.000088776 -0.000421783 30 1 0.000386512 0.000592278 0.000466632 31 1 0.000111004 0.000328315 -0.000498369 32 1 -0.000294931 -0.000223438 0.000070299 ------------------------------------------------------------------- Cartesian Forces: Max 0.005164428 RMS 0.001215999 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004720025 RMS 0.000718549 Search for a local minimum. Step number 12 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 10 11 12 DE= -3.47D-04 DEPred=-2.15D-04 R= 1.61D+00 TightC=F SS= 1.41D+00 RLast= 2.10D-01 DXNew= 8.8956D-01 6.3108D-01 Trust test= 1.61D+00 RLast= 2.10D-01 DXMaxT set to 6.31D-01 ITU= 1 -1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- -0.00482 0.00301 0.00479 0.00910 0.01270 Eigenvalues --- 0.01392 0.01419 0.01623 0.01708 0.01796 Eigenvalues --- 0.01847 0.01917 0.02042 0.02116 0.02304 Eigenvalues --- 0.02361 0.02454 0.02597 0.02662 0.03374 Eigenvalues --- 0.04597 0.05415 0.05465 0.05793 0.06145 Eigenvalues --- 0.07494 0.07663 0.07753 0.07759 0.08512 Eigenvalues --- 0.15555 0.15854 0.15957 0.15985 0.16000 Eigenvalues --- 0.16000 0.16002 0.16009 0.16035 0.16084 Eigenvalues --- 0.16136 0.16476 0.18021 0.18804 0.21389 Eigenvalues --- 0.21962 0.22847 0.24024 0.24779 0.24792 Eigenvalues --- 0.24931 0.24967 0.24987 0.25179 0.25335 Eigenvalues --- 0.28173 0.28988 0.29851 0.32540 0.33676 Eigenvalues --- 0.33717 0.33734 0.33756 0.33759 0.33774 Eigenvalues --- 0.33825 0.33844 0.33947 0.34676 0.37572 Eigenvalues --- 0.38290 0.39808 0.40717 0.41104 0.41523 Eigenvalues --- 0.41891 0.43712 0.44793 0.46026 0.47811 Eigenvalues --- 0.48636 0.48678 0.50933 0.52323 0.57012 Eigenvalues --- 0.62076 0.69185 0.71702 0.77213 0.87411 Use linear search instead of GDIIS. RFO step: Lambda=-6.57049512D-03 EMin=-4.82253526D-03 Quartic linear search produced a step of 2.00000. Iteration 1 RMS(Cart)= 0.14814619 RMS(Int)= 0.05401015 Iteration 2 RMS(Cart)= 0.04056804 RMS(Int)= 0.02094784 Iteration 3 RMS(Cart)= 0.01971827 RMS(Int)= 0.00165070 Iteration 4 RMS(Cart)= 0.00146533 RMS(Int)= 0.00076019 Iteration 5 RMS(Cart)= 0.00000507 RMS(Int)= 0.00076019 Iteration 6 RMS(Cart)= 0.00000000 RMS(Int)= 0.00076019 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87898 0.00022 -0.00448 0.01563 0.01115 2.89013 R2 2.63649 -0.00041 -0.00176 -0.01894 -0.02070 2.61579 R3 2.73097 0.00472 0.01415 0.03977 0.05393 2.78490 R4 2.03979 0.00011 -0.00235 0.00124 -0.00110 2.03869 R5 2.05299 0.00031 -0.00162 0.00551 0.00389 2.05688 R6 2.04660 0.00032 -0.00021 0.00134 0.00113 2.04773 R7 2.04146 0.00021 0.00203 0.00097 0.00300 2.04447 R8 1.78559 0.00188 -0.00173 0.01257 0.01084 1.79643 R9 2.59190 0.00041 -0.00144 0.00885 0.00741 2.59931 R10 2.42273 0.00023 -0.00022 0.00230 0.00209 2.42482 R11 2.25763 0.00042 -0.00040 0.00041 0.00001 2.25764 R12 2.71858 0.00059 -0.00189 0.01141 0.00918 2.72776 R13 2.64740 0.00276 0.00553 0.01123 0.01708 2.66448 R14 2.60242 -0.00034 -0.00046 -0.00371 -0.00390 2.59852 R15 2.57295 0.00186 0.00265 0.00830 0.01043 2.58338 R16 2.39563 0.00206 0.00115 0.01266 0.01391 2.40954 R17 2.61039 -0.00027 -0.00726 0.00684 -0.00055 2.60984 R18 3.52514 0.00110 -0.00164 0.03871 0.03707 3.56221 R19 2.57931 0.00082 -0.00018 0.00347 0.00300 2.58231 R20 2.55787 0.00024 -0.00159 0.00636 0.00447 2.56234 R21 2.44322 0.00230 0.00188 0.01221 0.01443 2.45765 R22 2.56281 0.00116 -0.00198 0.01397 0.01256 2.57537 R23 1.88520 0.00011 -0.00013 0.00152 0.00139 1.88659 R24 2.50269 0.00244 0.00036 0.01776 0.01812 2.52081 R25 2.03961 -0.00033 -0.00118 -0.00063 -0.00182 2.03780 R26 2.74906 0.00061 -0.00007 0.00753 0.00746 2.75652 R27 2.74876 0.00024 -0.00168 0.00378 0.00210 2.75085 R28 2.03900 0.00052 0.00072 0.00408 0.00480 2.04380 R29 2.04399 0.00024 -0.00052 0.00187 0.00135 2.04534 R30 2.04450 0.00034 0.00014 0.00483 0.00497 2.04946 R31 2.03761 0.00070 0.00108 0.00660 0.00767 2.04528 R32 2.04991 0.00021 0.00059 0.00363 0.00422 2.05414 R33 2.04694 0.00013 -0.00076 -0.00127 -0.00203 2.04492 A1 1.96923 0.00034 -0.00252 0.04482 0.04208 2.01131 A2 1.97484 -0.00089 -0.01313 0.00346 -0.01008 1.96476 A3 1.89410 0.00054 0.00488 0.01212 0.01675 1.91085 A4 1.87545 0.00079 0.02166 -0.01101 0.01031 1.88576 A5 1.91888 -0.00055 -0.01146 -0.01558 -0.02747 1.89140 A6 1.82578 -0.00031 0.00033 -0.04111 -0.04078 1.78500 A7 1.90437 0.00089 -0.00186 0.03737 0.03544 1.93981 A8 1.91926 0.00003 -0.00127 0.00722 0.00564 1.92490 A9 1.95447 -0.00069 -0.00059 -0.02791 -0.02844 1.92603 A10 1.88259 -0.00021 0.00590 -0.00559 -0.00012 1.88247 A11 1.90041 -0.00018 0.00151 -0.00448 -0.00269 1.89771 A12 1.90128 0.00016 -0.00340 -0.00608 -0.00966 1.89163 A13 1.92823 -0.00014 0.00913 -0.01077 -0.00164 1.92660 A14 2.04656 -0.00068 -0.00118 -0.00099 -0.00218 2.04439 A15 2.27233 0.00073 0.00190 0.01111 0.01206 2.28439 A16 2.10324 -0.00095 -0.00142 -0.01477 -0.01702 2.08622 A17 1.90761 0.00022 -0.00049 0.00396 0.00285 1.91047 A18 2.27687 0.00028 0.00032 0.00888 0.00991 2.28679 A19 2.08007 -0.00042 -0.00114 -0.00972 -0.01113 2.06895 A20 1.92623 0.00014 0.00082 0.00081 0.00118 1.92742 A21 1.82495 -0.00005 -0.00305 0.00577 0.00167 1.82662 A22 1.99432 -0.00008 0.00354 -0.01081 -0.00983 1.98449 A23 2.14677 -0.00085 0.00239 -0.02339 -0.02191 2.12485 A24 2.14210 0.00093 -0.00584 0.03398 0.02701 2.16911 A25 2.27262 0.00110 -0.00527 0.03900 0.03436 2.30698 A26 2.18314 -0.00146 0.00541 -0.04397 -0.03791 2.14523 A27 1.82242 0.00037 0.00097 0.00594 0.00540 1.82782 A28 1.85674 -0.00039 -0.00196 -0.00365 -0.00684 1.84990 A29 2.23634 0.00075 0.00270 0.00817 0.01073 2.24707 A30 2.18999 -0.00036 -0.00065 -0.00513 -0.00502 2.18497 A31 1.97764 0.00001 -0.00162 0.00353 0.00230 1.97995 A32 2.17478 -0.00109 -0.00619 0.00240 -0.00808 2.16670 A33 1.96206 0.00153 0.00580 0.00784 0.00925 1.97131 A34 2.14633 -0.00045 0.00055 -0.01113 -0.01331 2.13303 A35 2.21824 -0.00011 0.00014 0.00407 0.00520 2.22344 A36 2.02745 -0.00012 -0.00306 0.00022 -0.00333 2.02412 A37 2.03749 0.00023 0.00291 -0.00429 -0.00187 2.03562 A38 2.14054 -0.00086 0.00129 -0.02083 -0.02108 2.11947 A39 2.12883 -0.00004 -0.00064 -0.00085 -0.00300 2.12584 A40 2.01380 0.00090 -0.00065 0.02197 0.01976 2.03356 A41 2.08246 -0.00021 -0.00016 -0.00274 -0.00416 2.07830 A42 2.08274 0.00052 0.00229 0.01174 0.01265 2.09539 A43 2.11637 -0.00032 -0.00342 -0.01243 -0.01705 2.09931 A44 1.90383 -0.00009 -0.00120 -0.00024 -0.00145 1.90237 A45 1.92770 -0.00028 -0.00243 -0.00867 -0.01111 1.91658 A46 1.93247 -0.00007 0.00064 0.00597 0.00663 1.93909 A47 1.90684 0.00013 0.00114 0.00055 0.00166 1.90850 A48 1.90571 0.00004 0.00057 -0.00362 -0.00305 1.90266 A49 1.88701 0.00026 0.00134 0.00601 0.00737 1.89438 A50 1.90621 0.00004 0.00012 0.00062 0.00063 1.90685 A51 1.95043 -0.00007 0.00160 0.01295 0.01455 1.96498 A52 1.93446 -0.00036 -0.00521 -0.01623 -0.02146 1.91300 A53 1.88912 0.00004 0.00238 0.00117 0.00348 1.89260 A54 1.88443 0.00005 0.00034 -0.00557 -0.00535 1.87908 A55 1.89749 0.00031 0.00092 0.00682 0.00781 1.90530 D1 1.09420 -0.00038 -0.02997 -0.00146 -0.03151 1.06269 D2 -3.12741 -0.00009 -0.02465 0.01830 -0.00618 -3.13359 D3 -1.01096 -0.00033 -0.03024 -0.00312 -0.03313 -1.04410 D4 -3.05492 0.00025 -0.01314 0.02112 0.00791 -3.04701 D5 -0.99335 0.00054 -0.00782 0.04087 0.03325 -0.96010 D6 1.12310 0.00031 -0.01341 0.01946 0.00629 1.12939 D7 -1.03679 -0.00030 -0.01720 -0.01980 -0.03742 -1.07421 D8 1.02479 -0.00001 -0.01188 -0.00005 -0.01209 1.01270 D9 3.14123 -0.00024 -0.01747 -0.02146 -0.03905 3.10219 D10 -0.41992 0.00019 0.19422 0.35219 0.54701 0.12709 D11 -2.60884 0.00051 0.19678 0.32520 0.52174 -2.08710 D12 1.69707 0.00073 0.19054 0.38710 0.57729 2.27436 D13 -1.20859 -0.00033 -0.00302 -0.17466 -0.17745 -1.38604 D14 2.05756 -0.00053 -0.01660 -0.18669 -0.20299 1.85457 D15 0.97698 0.00009 0.00093 -0.12284 -0.12206 0.85492 D16 -2.04006 -0.00011 -0.01265 -0.13488 -0.14760 -2.18766 D17 3.01619 -0.00033 -0.00224 -0.16550 -0.16794 2.84825 D18 -0.00085 -0.00053 -0.01582 -0.17753 -0.19347 -0.19432 D19 0.16734 -0.00014 0.00311 0.04376 0.04714 0.21448 D20 -2.97981 -0.00043 0.02065 -0.13180 -0.11142 -3.09123 D21 -3.10600 -0.00025 0.01284 -0.07148 -0.05820 3.11898 D22 0.03259 0.00001 -0.00155 0.05002 0.04803 0.08062 D23 0.00787 -0.00015 0.00265 -0.05054 -0.04838 -0.04051 D24 -3.13024 -0.00019 0.00052 -0.04147 -0.04156 3.11139 D25 -3.13801 0.00012 -0.00323 0.03114 0.02780 -3.11021 D26 0.00707 0.00008 -0.00536 0.04021 0.03462 0.04169 D27 3.13144 0.00024 -0.00093 0.05775 0.05606 -3.09569 D28 -0.00923 0.00023 -0.00159 0.05743 0.05527 0.04604 D29 -0.00635 -0.00000 0.00428 -0.01473 -0.01020 -0.01655 D30 3.13616 -0.00001 0.00362 -0.01505 -0.01098 3.12518 D31 -3.13734 -0.00001 0.00405 -0.02841 -0.02404 3.12180 D32 0.00101 0.00003 0.00603 -0.03688 -0.03046 -0.02945 D33 3.12905 -0.00013 0.00632 -0.05071 -0.04442 3.08463 D34 0.00303 -0.00006 0.00021 -0.00821 -0.00793 -0.00490 D35 -0.00971 -0.00016 0.00458 -0.04337 -0.03895 -0.04866 D36 -3.13573 -0.00009 -0.00152 -0.00086 -0.00246 -3.13819 D37 0.00843 0.00012 -0.01471 0.10636 0.09096 0.09939 D38 -3.13529 0.00009 0.00191 -0.01076 -0.00713 3.14076 D39 -3.05087 -0.00027 0.00585 -0.14112 -0.13565 3.09667 D40 -0.01444 -0.00022 0.01769 -0.13440 -0.11640 -0.13084 D41 0.09284 -0.00023 -0.01078 -0.02428 -0.03462 0.05823 D42 3.12928 -0.00018 0.00106 -0.01756 -0.01537 3.11390 D43 3.05720 0.00046 -0.00221 0.11181 0.10953 -3.11646 D44 -0.09944 0.00041 0.00373 0.07090 0.07489 -0.02455 D45 0.01372 0.00022 -0.01240 0.09925 0.08723 0.10095 D46 3.14027 0.00017 -0.00646 0.05835 0.05259 -3.09032 D47 -0.01443 -0.00004 0.00679 -0.05447 -0.04785 -0.06227 D48 -3.13767 0.00003 -0.00040 -0.00443 -0.00494 3.14057 D49 -3.13270 -0.00021 0.01134 -0.11283 -0.10056 3.04992 D50 0.01501 0.00011 -0.00802 0.08056 0.07209 0.08710 D51 -3.14156 0.00019 -0.01437 0.12111 0.10688 -3.03468 D52 -0.00089 0.00020 -0.01371 0.12143 0.10767 0.10678 D53 -0.00542 -0.00010 0.00277 -0.05109 -0.04818 -0.05360 D54 3.13526 -0.00009 0.00343 -0.05077 -0.04739 3.08786 D55 -0.00503 0.00011 -0.01354 0.05811 0.04430 0.03928 D56 -3.08634 0.00024 0.01353 0.12227 0.13638 -2.94996 D57 3.13938 -0.00013 -0.00003 -0.05594 -0.05654 3.08284 D58 0.05807 -0.00001 0.02704 0.00822 0.03553 0.09360 D59 -3.13077 -0.00005 -0.00680 -0.01507 -0.02226 3.13016 D60 1.05644 0.00002 -0.00595 -0.01025 -0.01662 1.03981 D61 -1.03323 -0.00009 -0.00647 -0.01599 -0.02285 -1.05608 D62 -0.05065 -0.00015 -0.03425 -0.07964 -0.11348 -0.16413 D63 -2.14663 -0.00009 -0.03340 -0.07482 -0.10785 -2.25448 D64 2.04688 -0.00020 -0.03391 -0.08056 -0.11407 1.93281 D65 -2.97931 0.00039 0.07997 0.18770 0.26759 -2.71171 D66 1.21417 0.00036 0.07592 0.17768 0.25349 1.46766 D67 -0.90528 0.00026 0.07728 0.17139 0.24869 -0.65659 D68 0.22377 0.00052 0.10748 0.25278 0.36031 0.58408 D69 -1.86593 0.00049 0.10344 0.24276 0.34620 -1.51973 D70 2.29780 0.00039 0.10480 0.23647 0.34140 2.63920 Item Value Threshold Converged? Maximum Force 0.004720 0.000450 NO RMS Force 0.000719 0.000300 NO Maximum Displacement 0.746076 0.001800 NO RMS Displacement 0.173389 0.001200 NO Predicted change in Energy=-7.752478D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.153631 -4.823791 2.185387 2 6 0 7.236276 -4.880658 3.711487 3 8 0 7.249989 -6.046187 1.543109 4 7 0 7.694306 0.053897 0.347857 5 8 0 3.270465 -0.826748 0.016781 6 6 0 4.311505 -1.298644 0.364399 7 6 0 4.628983 -2.607261 0.884332 8 7 0 3.823371 -3.683647 1.172821 9 6 0 4.625499 -4.586642 1.581478 10 7 0 5.930533 -4.153297 1.709700 11 6 0 5.933456 -2.896383 1.173524 12 7 0 7.028024 -2.107936 1.036299 13 6 0 6.769815 -0.953884 0.495120 14 7 0 5.499373 -0.556330 0.203194 15 1 0 7.930921 -4.178570 1.806726 16 1 0 8.189050 -5.293419 4.037953 17 1 0 7.144390 -3.885400 4.130103 18 6 0 8.925484 -0.247614 0.547318 19 35 0 4.014768 -6.288691 2.113841 20 1 0 5.392587 0.364626 -0.167104 21 1 0 6.437875 -5.493038 4.109010 22 1 0 7.242671 -6.754724 2.176844 23 7 0 9.895432 0.656721 0.403038 24 1 0 9.237381 -1.260398 0.746918 25 6 0 9.539888 2.028758 0.058249 26 6 0 11.289243 0.236824 0.400301 27 1 0 10.442638 2.620921 -0.005755 28 1 0 8.892792 2.442703 0.820743 29 1 0 9.021751 2.070416 -0.893593 30 1 0 11.912601 1.066699 0.707128 31 1 0 11.621958 -0.099649 -0.578300 32 1 0 11.429345 -0.561655 1.117094 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.529393 0.000000 3 O 1.384218 2.461810 0.000000 4 N 5.240295 5.989460 6.231940 0.000000 5 O 5.979814 6.768507 6.738607 4.522778 0.000000 6 C 4.880608 5.708599 5.706418 3.643211 1.194692 7 C 3.602721 4.467563 4.373771 4.094603 2.401758 8 N 3.662765 4.418776 4.178566 5.443706 3.131134 9 C 2.610057 3.382239 3.003280 5.698597 4.291991 10 N 1.473705 2.498233 2.313384 4.760882 4.583434 11 C 2.495515 3.475045 3.433820 3.533620 3.565524 12 N 2.951618 3.858495 3.976927 2.364616 4.098793 13 C 4.240342 5.097269 5.221149 1.375498 3.534179 14 N 4.987673 5.833075 5.915958 2.282770 2.252977 15 H 1.078830 2.145593 2.005282 4.483086 6.013190 16 H 2.173624 1.088453 2.769971 6.515778 7.766173 17 H 2.159301 1.083614 3.372341 5.488702 6.425111 18 C 5.173406 5.859222 6.117380 1.283157 5.709300 19 Br 3.464608 3.861754 3.294115 7.542289 5.897836 20 H 5.962815 6.779060 6.890087 2.379002 2.440612 21 H 2.158824 1.081886 2.747607 6.818605 6.968004 22 H 1.933003 2.422250 0.950630 7.064452 7.455547 23 N 6.382026 6.977070 7.295691 2.282848 6.800005 24 H 4.371382 5.089142 5.242846 2.065841 6.027042 25 C 7.561506 8.148177 8.523684 2.718477 6.889216 26 C 6.774927 7.319775 7.556309 3.599969 8.098090 27 H 8.428666 8.965061 9.365402 3.777298 7.957826 28 H 7.595319 8.045623 8.676512 2.714108 6.553337 29 H 7.778180 8.527140 8.657708 2.714711 6.503817 30 H 7.715628 8.140346 8.545874 4.353028 8.874020 31 H 7.065510 7.777822 7.679571 4.038291 8.404179 32 H 6.130969 6.554882 6.908588 3.862789 8.237007 6 7 8 9 10 6 C 0.000000 7 C 1.443468 0.000000 8 N 2.565162 1.375079 0.000000 9 C 3.520057 2.098565 1.275072 0.000000 10 N 3.546848 2.183001 2.224622 1.381066 0.000000 11 C 2.416232 1.367068 2.252164 2.175811 1.366502 12 N 2.913052 2.455161 3.573696 3.494758 2.416911 13 C 2.485807 2.732820 4.073379 4.356053 3.523612 14 N 1.409981 2.329773 3.678215 4.348187 3.923472 15 H 4.845044 3.771289 4.185540 3.338125 2.002899 16 H 6.669976 5.462129 5.464385 4.385511 3.438246 17 H 5.375599 4.300690 4.451447 3.651307 2.720950 18 C 4.735708 4.913393 6.182971 6.195686 5.057195 19 Br 5.296147 3.929616 2.776402 1.885040 2.897135 20 H 2.053704 3.243565 4.543825 5.306695 4.921728 21 H 6.011364 4.690239 4.327901 3.239550 2.794457 22 H 6.453332 5.069852 4.704379 3.450309 2.950821 23 N 5.916518 6.214556 7.503418 7.526870 6.368992 24 H 4.940854 4.803150 5.946850 5.747160 4.497895 25 C 6.204943 6.803827 8.157965 8.380630 7.346600 26 C 7.144772 7.258248 8.467946 8.310625 7.050067 27 H 7.286343 7.869226 9.216903 9.397200 8.318167 28 H 5.932463 6.609557 7.959595 8.258341 7.285083 29 H 5.926173 6.658685 8.025114 8.352810 7.420739 30 H 7.967996 8.159686 9.392459 9.264265 8.002415 31 H 7.467864 7.571599 8.759533 8.587677 7.352504 32 H 7.195369 7.105181 8.221968 7.918869 6.594543 11 12 13 14 15 11 C 0.000000 12 N 1.355934 0.000000 13 C 2.221043 1.300531 0.000000 14 N 2.570178 2.332020 1.362826 0.000000 15 H 2.456586 2.386694 3.669751 4.648049 0.000000 16 H 4.363306 4.528268 5.779053 6.661813 2.507567 17 H 3.344529 3.569950 4.684783 5.404572 2.470356 18 C 4.044792 2.701898 2.269020 3.457162 4.245901 19 Br 4.009154 5.264933 6.218578 6.222105 4.459056 20 H 3.567072 3.199436 2.018357 0.998340 5.565947 21 H 3.951472 4.609636 5.811566 6.364532 3.042617 22 H 4.196127 4.789526 6.058178 6.734572 2.692071 23 N 5.377309 4.033160 3.517387 4.564731 5.404598 24 H 3.711382 2.383972 2.499247 3.842402 3.368347 25 C 6.205417 4.937436 4.093936 4.798901 6.646568 26 C 6.252944 4.905138 4.674612 5.847268 5.722941 27 H 7.222469 5.925162 5.149731 5.880005 7.471739 28 H 6.114570 4.922615 4.018689 4.570652 6.763032 29 H 6.203195 5.015781 4.018225 4.528784 6.894306 30 H 7.188443 5.834874 5.529552 6.634581 6.676506 31 H 6.576448 5.267293 5.042345 6.189131 5.995807 32 H 5.971510 4.665741 4.717193 5.999984 5.079038 16 17 18 19 20 16 H 0.000000 17 H 1.755655 0.000000 18 C 6.179564 5.407599 0.000000 19 Br 4.702914 4.431213 7.941268 0.000000 20 H 7.583942 6.292656 3.656036 7.167128 0.000000 21 H 1.763947 1.756162 6.810896 3.238087 7.327346 22 H 2.548485 3.472448 6.915901 3.261979 7.720235 23 N 7.178336 6.487689 1.333956 9.260011 4.548186 24 H 5.309912 4.766255 1.078355 7.377526 4.273006 25 C 8.442575 7.569390 2.408018 10.194722 4.474397 26 C 7.309397 6.934260 2.417364 9.921519 5.925271 27 H 9.168806 8.385462 3.291829 11.188895 5.533527 28 H 8.407929 7.352119 2.704373 10.084863 4.188757 29 H 8.901663 8.014596 2.731073 10.197510 4.075333 30 H 8.087665 7.679575 3.267388 10.883766 6.615722 31 H 7.750477 7.519946 2.925727 10.169621 6.260168 32 H 6.435877 6.203736 2.587003 9.421697 6.240962 21 22 23 24 25 21 H 0.000000 22 H 2.443934 0.000000 23 N 7.969219 8.069265 0.000000 24 H 6.087375 6.017572 2.055877 0.000000 25 C 9.088925 9.322832 1.458690 3.374066 0.000000 26 C 8.373864 8.271190 1.455688 2.563582 2.527503 27 H 9.940107 10.144271 2.079574 4.133255 1.081532 28 H 8.933940 9.442169 2.090333 3.719831 1.082349 29 H 9.429119 9.511877 2.107868 3.719153 1.084530 30 H 9.196497 9.227294 2.080750 3.545950 2.641282 31 H 8.828036 8.429650 2.125091 2.964751 3.044721 32 H 7.627900 7.550192 2.084995 2.330231 3.376602 26 27 28 29 30 26 C 0.000000 27 H 2.562331 0.000000 28 H 3.284151 1.765469 0.000000 29 H 3.190258 1.763585 1.759027 0.000000 30 H 1.082317 2.254905 3.320473 3.453516 0.000000 31 H 1.087002 3.019951 3.983619 3.401422 1.759877 32 H 1.082122 3.516130 3.943106 4.094774 1.747325 31 32 31 H 0.000000 32 H 1.767741 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.216401 -1.961254 0.036157 2 6 0 -1.549407 -2.552375 1.406823 3 8 0 -1.986473 -2.432914 -1.012931 4 7 0 3.352158 0.605644 0.037438 5 8 0 0.199550 3.848396 0.071171 6 6 0 0.345337 2.662652 0.064605 7 6 0 -0.621823 1.592029 0.020238 8 7 0 -1.996657 1.617374 0.014436 9 6 0 -2.341647 0.391943 -0.057039 10 7 0 -1.281149 -0.489021 0.024154 11 6 0 -0.168109 0.302874 -0.012863 12 7 0 1.111084 -0.146813 -0.015516 13 6 0 1.994617 0.806675 -0.055650 14 7 0 1.646673 2.122735 0.009261 15 1 0 -0.178774 -2.147047 -0.193379 16 1 0 -1.402691 -3.630860 1.415415 17 1 0 -0.907186 -2.123586 2.167029 18 6 0 3.773889 -0.601297 -0.071789 19 35 0 -4.153218 -0.127825 -0.094797 20 1 0 2.394976 2.783514 0.019096 21 1 0 -2.577287 -2.339488 1.668777 22 1 0 -2.689980 -2.982561 -0.686339 23 7 0 5.074990 -0.890989 -0.020296 24 1 0 3.107769 -1.417330 -0.302492 25 6 0 6.032038 0.184653 0.213859 26 6 0 5.540547 -2.221762 -0.382689 27 1 0 7.030317 -0.230881 0.235789 28 1 0 5.821763 0.662880 1.161784 29 1 0 5.977869 0.932860 -0.569376 30 1 0 6.485521 -2.415263 0.108220 31 1 0 5.679805 -2.337835 -1.454467 32 1 0 4.831976 -2.961726 -0.034307 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5666519 0.1438677 0.1178067 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1832.5761129154 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.63D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999983 0.002316 -0.002646 -0.004724 Ang= 0.67 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.56888775 A.U. after 15 cycles NFock= 15 Conv=0.78D-08 -V/T= 2.0038 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 -0.004594169 0.008036292 -0.009134463 2 6 -0.002654190 -0.002693612 -0.003869057 3 8 0.006994925 -0.007647491 0.009917144 4 7 -0.002098821 -0.005609598 -0.003389439 5 8 -0.000996638 0.000111197 0.005727222 6 6 0.003256693 -0.004342082 -0.013549648 7 6 0.002314751 0.004771275 0.001220359 8 7 0.003415867 -0.006442138 -0.008478658 9 6 -0.005441600 0.009098849 0.015964900 10 7 0.005803085 -0.005095861 -0.006605072 11 6 -0.004759797 0.002058555 0.008748424 12 7 -0.000896934 0.001348530 -0.009535980 13 6 -0.008880521 0.005598200 0.028308972 14 7 0.006739026 -0.003268371 -0.002346077 15 1 0.001579177 -0.002730030 0.002004269 16 1 -0.001405979 -0.000059398 -0.003695673 17 1 -0.000469141 -0.000161556 -0.001625270 18 6 0.003010578 0.004153856 -0.017308278 19 35 0.006972840 0.006477262 -0.000429896 20 1 -0.000634921 -0.000618651 0.000271547 21 1 -0.001853131 -0.001026238 0.001587700 22 1 -0.002920848 0.002080139 -0.004280598 23 7 -0.001776554 -0.003715327 0.004271170 24 1 0.001344995 0.001606361 0.004454830 25 6 0.000603262 -0.001691404 -0.000983482 26 6 -0.001257860 0.002373049 0.002771157 27 1 -0.000456729 -0.000940389 0.000733697 28 1 0.000165435 0.000177098 -0.001267241 29 1 0.000453182 -0.000511531 0.001292346 30 1 -0.000586046 -0.000954657 0.000053927 31 1 -0.001450234 0.000737569 0.000426384 32 1 0.000480298 -0.001119899 -0.001255215 ------------------------------------------------------------------- Cartesian Forces: Max 0.028308972 RMS 0.005657852 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.012196020 RMS 0.003561569 Search for a local minimum. Step number 13 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 10 11 13 12 DE= 3.48D-03 DEPred=-7.75D-03 R=-4.49D-01 Trust test=-4.49D-01 RLast= 1.37D+00 DXMaxT set to 3.16D-01 ITU= -1 1 -1 1 1 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- -0.00341 0.00298 0.00530 0.00699 0.01270 Eigenvalues --- 0.01332 0.01441 0.01668 0.01689 0.01802 Eigenvalues --- 0.01883 0.02005 0.02110 0.02243 0.02367 Eigenvalues --- 0.02456 0.02519 0.02666 0.03328 0.03753 Eigenvalues --- 0.05130 0.05491 0.05568 0.05654 0.06164 Eigenvalues --- 0.07429 0.07644 0.07810 0.07858 0.08888 Eigenvalues --- 0.13526 0.15853 0.15950 0.15984 0.15995 Eigenvalues --- 0.16000 0.16001 0.16010 0.16063 0.16075 Eigenvalues --- 0.16121 0.16477 0.17696 0.18831 0.21142 Eigenvalues --- 0.21741 0.22796 0.24024 0.24643 0.24719 Eigenvalues --- 0.24787 0.24935 0.25007 0.25145 0.25253 Eigenvalues --- 0.27310 0.28927 0.30617 0.32504 0.33676 Eigenvalues --- 0.33697 0.33731 0.33743 0.33759 0.33780 Eigenvalues --- 0.33823 0.33830 0.34141 0.34647 0.37339 Eigenvalues --- 0.38316 0.39512 0.40698 0.41113 0.41384 Eigenvalues --- 0.41611 0.43690 0.45503 0.45783 0.47785 Eigenvalues --- 0.48660 0.48704 0.50870 0.52157 0.57100 Eigenvalues --- 0.60692 0.69183 0.70755 0.77201 0.87427 RFO step: Lambda=-4.66683940D-03 EMin=-3.40504484D-03 Quartic linear search produced a step of -0.76251. Iteration 1 RMS(Cart)= 0.15348475 RMS(Int)= 0.00742342 Iteration 2 RMS(Cart)= 0.01245002 RMS(Int)= 0.00096924 Iteration 3 RMS(Cart)= 0.00006929 RMS(Int)= 0.00096852 Iteration 4 RMS(Cart)= 0.00000006 RMS(Int)= 0.00096852 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89013 -0.00778 -0.00850 -0.01727 -0.02577 2.86436 R2 2.61579 0.00258 0.01578 0.00171 0.01749 2.63328 R3 2.78490 -0.00544 -0.04112 0.03087 -0.01025 2.77464 R4 2.03869 -0.00120 0.00084 -0.00954 -0.00870 2.02999 R5 2.05688 -0.00232 -0.00297 -0.00972 -0.01269 2.04419 R6 2.04773 -0.00074 -0.00086 0.00202 0.00116 2.04889 R7 2.04447 0.00253 -0.00229 -0.00114 -0.00343 2.04104 R8 1.79643 -0.00438 -0.00826 -0.01135 -0.01961 1.77682 R9 2.59931 -0.00399 -0.00565 -0.01167 -0.01733 2.58199 R10 2.42482 -0.00058 -0.00159 -0.00442 -0.00601 2.41881 R11 2.25764 -0.00075 -0.00001 -0.00011 -0.00012 2.25752 R12 2.72776 -0.00427 -0.00700 -0.02984 -0.03689 2.69087 R13 2.66448 -0.00301 -0.01302 0.03157 0.01846 2.68294 R14 2.59852 -0.00060 0.00297 0.00598 0.00859 2.60712 R15 2.58338 -0.00141 -0.00795 0.00215 -0.00643 2.57695 R16 2.40954 -0.00530 -0.01061 -0.00161 -0.01171 2.39783 R17 2.60984 -0.00871 0.00042 -0.02381 -0.02272 2.58712 R18 3.56221 -0.00823 -0.02827 -0.00888 -0.03715 3.52506 R19 2.58231 -0.00189 -0.00229 -0.00327 -0.00566 2.57666 R20 2.56234 -0.00335 -0.00341 -0.01475 -0.01809 2.54426 R21 2.45765 -0.00610 -0.01100 0.00898 -0.00197 2.45567 R22 2.57537 -0.00667 -0.00957 -0.02672 -0.03633 2.53903 R23 1.88659 -0.00060 -0.00106 -0.00167 -0.00273 1.88386 R24 2.52081 -0.00726 -0.01381 -0.00478 -0.01860 2.50222 R25 2.03780 -0.00030 0.00138 -0.00832 -0.00693 2.03086 R26 2.75652 -0.00292 -0.00569 -0.00813 -0.01382 2.74270 R27 2.75085 -0.00300 -0.00160 -0.01483 -0.01643 2.73443 R28 2.04380 -0.00094 -0.00366 0.00224 -0.00142 2.04238 R29 2.04534 -0.00092 -0.00103 -0.00206 -0.00309 2.04225 R30 2.04946 -0.00137 -0.00379 -0.00138 -0.00517 2.04430 R31 2.04528 -0.00105 -0.00585 0.00200 -0.00385 2.04143 R32 2.05414 -0.00106 -0.00322 0.00122 -0.00200 2.05214 R33 2.04492 0.00006 0.00155 -0.00019 0.00135 2.04627 A1 2.01131 -0.00552 -0.03209 -0.02096 -0.05351 1.95780 A2 1.96476 -0.00845 0.00769 -0.02268 -0.01372 1.95104 A3 1.91085 0.00268 -0.01277 -0.00771 -0.02133 1.88953 A4 1.88576 0.00918 -0.00786 0.09361 0.08599 1.97176 A5 1.89140 -0.00039 0.02095 -0.04164 -0.02368 1.86772 A6 1.78500 0.00382 0.03109 0.00071 0.03153 1.81654 A7 1.93981 -0.00443 -0.02702 -0.03790 -0.06479 1.87502 A8 1.92490 -0.00154 -0.00430 -0.00341 -0.00793 1.91697 A9 1.92603 0.00208 0.02168 0.02534 0.04724 1.97327 A10 1.88247 0.00273 0.00009 0.02821 0.02796 1.91043 A11 1.89771 0.00117 0.00205 -0.00201 0.00059 1.89831 A12 1.89163 0.00011 0.00736 -0.00965 -0.00240 1.88923 A13 1.92660 0.00282 0.00125 0.02097 0.02222 1.94881 A14 2.04439 -0.00098 0.00166 0.01316 0.01482 2.05921 A15 2.28439 -0.00109 -0.00920 0.00368 -0.00507 2.27931 A16 2.08622 0.00314 0.01298 -0.00517 0.00824 2.09446 A17 1.91047 -0.00181 -0.00218 0.00080 -0.00132 1.90914 A18 2.28679 -0.00100 -0.00756 -0.00495 -0.01234 2.27445 A19 2.06895 0.00172 0.00849 0.00313 0.01160 2.08054 A20 1.92742 -0.00071 -0.00090 0.00200 0.00065 1.92807 A21 1.82662 -0.00277 -0.00127 -0.00866 -0.00894 1.81768 A22 1.98449 0.00576 0.00749 0.00955 0.01434 1.99883 A23 2.12485 0.00577 0.01671 0.01949 0.03098 2.15583 A24 2.16911 -0.01109 -0.02059 -0.01873 -0.04396 2.12515 A25 2.30698 -0.01062 -0.02620 -0.03195 -0.05890 2.24808 A26 2.14523 0.01220 0.02891 0.02821 0.05674 2.20197 A27 1.82782 -0.00140 -0.00412 0.00719 0.00401 1.83184 A28 1.84990 0.00008 0.00522 -0.00697 -0.00199 1.84791 A29 2.24707 -0.00146 -0.00818 0.00232 -0.00575 2.24133 A30 2.18497 0.00151 0.00383 0.00475 0.00873 2.19370 A31 1.97995 -0.00148 -0.00175 -0.00223 -0.00393 1.97602 A32 2.16670 -0.00018 0.00616 -0.02257 -0.01624 2.15046 A33 1.97131 -0.00204 -0.00706 0.02080 0.01398 1.98529 A34 2.13303 0.00367 0.01015 0.00377 0.01400 2.14703 A35 2.22344 -0.00025 -0.00396 -0.00732 -0.01152 2.21193 A36 2.02412 -0.00053 0.00254 -0.01887 -0.01623 2.00789 A37 2.03562 0.00078 0.00143 0.02620 0.02773 2.06335 A38 2.11947 0.00482 0.01607 0.01516 0.03118 2.15065 A39 2.12584 -0.00027 0.00229 -0.00228 -0.00005 2.12579 A40 2.03356 -0.00386 -0.01506 -0.01173 -0.02685 2.00671 A41 2.07830 0.00099 0.00317 0.00249 0.00650 2.08480 A42 2.09539 -0.00028 -0.00965 0.00410 -0.00465 2.09075 A43 2.09931 -0.00071 0.01300 -0.01245 0.00135 2.10066 A44 1.90237 -0.00100 0.00111 -0.00348 -0.00237 1.90001 A45 1.91658 0.00136 0.00847 -0.00612 0.00235 1.91893 A46 1.93909 -0.00069 -0.00505 -0.00363 -0.00871 1.93039 A47 1.90850 -0.00007 -0.00127 0.00619 0.00495 1.91345 A48 1.90266 0.00081 0.00232 0.00672 0.00904 1.91170 A49 1.89438 -0.00041 -0.00562 0.00062 -0.00504 1.88935 A50 1.90685 0.00051 -0.00048 0.00158 0.00113 1.90797 A51 1.96498 -0.00245 -0.01110 -0.00631 -0.01744 1.94754 A52 1.91300 0.00155 0.01636 -0.01016 0.00616 1.91917 A53 1.89260 0.00066 -0.00265 0.01032 0.00771 1.90030 A54 1.87908 0.00004 0.00408 0.00883 0.01295 1.89203 A55 1.90530 -0.00024 -0.00596 -0.00334 -0.00940 1.89590 D1 1.06269 -0.00108 0.02403 -0.08825 -0.06413 0.99856 D2 -3.13359 -0.00152 0.00471 -0.07962 -0.07451 3.07509 D3 -1.04410 -0.00103 0.02526 -0.07764 -0.05186 -1.09596 D4 -3.04701 -0.00023 -0.00603 0.00427 -0.00215 -3.04916 D5 -0.96010 -0.00066 -0.02535 0.01290 -0.01253 -0.97263 D6 1.12939 -0.00017 -0.00480 0.01488 0.01011 1.13950 D7 -1.07421 0.00130 0.02854 -0.01224 0.01586 -1.05835 D8 1.01270 0.00087 0.00922 -0.00361 0.00548 1.01818 D9 3.10219 0.00136 0.02977 -0.00163 0.02813 3.13031 D10 0.12709 -0.00067 -0.41709 0.36347 -0.05528 0.07180 D11 -2.08710 0.00722 -0.39783 0.33183 -0.06555 -2.15265 D12 2.27436 -0.00135 -0.44019 0.30625 -0.13273 2.14163 D13 -1.38604 0.00503 0.13531 0.04718 0.18220 -1.20384 D14 1.85457 0.00214 0.15478 -0.00771 0.14639 2.00096 D15 0.85492 -0.00128 0.09307 0.07655 0.16925 1.02417 D16 -2.18766 -0.00417 0.11254 0.02166 0.13344 -2.05422 D17 2.84825 0.00355 0.12805 0.06628 0.19559 3.04384 D18 -0.19432 0.00066 0.14752 0.01139 0.15978 -0.03455 D19 0.21448 -0.00433 -0.03595 -0.10567 -0.14122 0.07326 D20 -3.09123 0.00573 0.08496 -0.09148 -0.00691 -3.09814 D21 3.11898 0.00561 0.04438 -0.01353 0.03095 -3.13325 D22 0.08062 -0.00237 -0.03662 -0.02646 -0.06319 0.01744 D23 -0.04051 0.00276 0.03689 0.00387 0.04084 0.00033 D24 3.11139 0.00165 0.03169 -0.02018 0.01155 3.12294 D25 -3.11021 -0.00140 -0.02120 0.01578 -0.00540 -3.11562 D26 0.04169 -0.00251 -0.02640 -0.00828 -0.03469 0.00700 D27 -3.09569 -0.00259 -0.04274 0.01342 -0.02921 -3.12489 D28 0.04604 -0.00298 -0.04215 0.00571 -0.03640 0.00964 D29 -0.01655 0.00086 0.00778 0.00347 0.01076 -0.00579 D30 3.12518 0.00046 0.00837 -0.00425 0.00356 3.12874 D31 3.12180 0.00083 0.01833 0.00175 0.01999 -3.14139 D32 -0.02945 0.00188 0.02323 0.02431 0.04733 0.01788 D33 3.08463 0.00360 0.03387 0.01068 0.04405 3.12868 D34 -0.00490 0.00063 0.00604 0.00857 0.01520 0.01030 D35 -0.04866 0.00271 0.02970 -0.00865 0.02030 -0.02836 D36 -3.13819 -0.00025 0.00187 -0.01076 -0.00854 3.13645 D37 0.09939 -0.00543 -0.06936 -0.03014 -0.09947 -0.00008 D38 3.14076 -0.00144 0.00543 0.07733 0.08777 -3.05465 D39 3.09667 0.00393 0.10343 -0.02450 0.08053 -3.10599 D40 -0.13084 0.00714 0.08876 0.02450 0.11364 -0.01721 D41 0.05823 -0.00133 0.02639 -0.13770 -0.10795 -0.04972 D42 3.11390 0.00188 0.01172 -0.08870 -0.07484 3.03906 D43 -3.11646 -0.00428 -0.08352 0.03120 -0.04957 3.11716 D44 -0.02455 -0.00156 -0.05710 0.03314 -0.02228 -0.04683 D45 0.10095 -0.00579 -0.06652 -0.00843 -0.07441 0.02654 D46 -3.09032 -0.00307 -0.04010 -0.00649 -0.04713 -3.13745 D47 -0.06227 0.00325 0.03648 -0.00161 0.03413 -0.02814 D48 3.14057 -0.00017 0.00377 -0.00377 0.00038 3.14095 D49 3.04992 0.00571 0.07668 0.01248 0.08743 3.13735 D50 0.08710 -0.00470 -0.05497 -0.00416 -0.05880 0.02830 D51 -3.03468 -0.00645 -0.08150 -0.00784 -0.09059 -3.12527 D52 0.10678 -0.00605 -0.08210 -0.00008 -0.08320 0.02358 D53 -0.05360 0.00299 0.03674 0.00317 0.04018 -0.01342 D54 3.08786 0.00339 0.03614 0.01092 0.04757 3.13543 D55 0.03928 -0.00479 -0.03378 -0.02599 -0.05940 -0.02013 D56 -2.94996 -0.00472 -0.10399 0.01867 -0.08557 -3.03554 D57 3.08284 0.00296 0.04311 -0.01327 0.03010 3.11294 D58 0.09360 0.00303 -0.02709 0.03139 0.00393 0.09753 D59 3.13016 -0.00015 0.01697 -0.01781 -0.00060 3.12956 D60 1.03981 -0.00028 0.01268 -0.01956 -0.00661 1.03320 D61 -1.05608 -0.00022 0.01742 -0.01399 0.00367 -1.05241 D62 -0.16413 -0.00018 0.08653 -0.06108 0.02519 -0.13894 D63 -2.25448 -0.00030 0.08223 -0.06283 0.01918 -2.23530 D64 1.93281 -0.00025 0.08698 -0.05727 0.02945 1.96227 D65 -2.71171 0.00016 -0.20404 0.14342 -0.06061 -2.77233 D66 1.46766 0.00057 -0.19329 0.13340 -0.05982 1.40785 D67 -0.65659 0.00142 -0.18963 0.14912 -0.04055 -0.69714 D68 0.58408 0.00008 -0.27474 0.18728 -0.08747 0.49661 D69 -1.51973 0.00049 -0.26398 0.17726 -0.08667 -1.60640 D70 2.63920 0.00134 -0.26032 0.19299 -0.06740 2.57180 Item Value Threshold Converged? Maximum Force 0.012196 0.000450 NO RMS Force 0.003562 0.000300 NO Maximum Displacement 0.578853 0.001800 NO RMS Displacement 0.153238 0.001200 NO Predicted change in Energy=-3.493023D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.154041 -4.824350 2.185639 2 6 0 7.139725 -5.082081 3.679252 3 8 0 7.364496 -5.990652 1.452686 4 7 0 7.667449 0.103018 0.318017 5 8 0 3.247473 -0.840139 0.053203 6 6 0 4.304596 -1.280439 0.393440 7 6 0 4.646681 -2.549107 0.942154 8 7 0 3.851834 -3.637081 1.238627 9 6 0 4.662322 -4.495893 1.702955 10 7 0 5.965850 -4.080065 1.749650 11 6 0 5.951696 -2.818932 1.231485 12 7 0 7.024934 -2.020534 1.078464 13 6 0 6.734339 -0.865719 0.558248 14 7 0 5.481031 -0.500554 0.240232 15 1 0 7.971721 -4.163218 1.965946 16 1 0 8.082203 -5.546243 3.937031 17 1 0 7.041105 -4.143810 4.213544 18 6 0 8.895555 -0.176201 0.546359 19 35 0 4.170328 -6.237276 2.155920 20 1 0 5.338806 0.405419 -0.150644 21 1 0 6.335573 -5.733443 3.988484 22 1 0 7.399779 -6.748208 2.008508 23 7 0 9.882621 0.686269 0.358934 24 1 0 9.199814 -1.144051 0.900822 25 6 0 9.584837 2.011457 -0.152625 26 6 0 11.254638 0.253491 0.514078 27 1 0 10.505679 2.572357 -0.226990 28 1 0 8.903052 2.519542 0.514427 29 1 0 9.120450 1.947666 -1.127590 30 1 0 11.882409 1.113751 0.695353 31 1 0 11.613235 -0.262863 -0.371396 32 1 0 11.337728 -0.415109 1.361786 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.515754 0.000000 3 O 1.393474 2.415288 0.000000 4 N 5.294389 6.201746 6.205809 0.000000 5 O 5.973482 6.803818 6.740639 4.527235 0.000000 6 C 4.887803 5.769489 5.715863 3.637090 1.194627 7 C 3.606915 4.485859 4.414905 4.067967 2.380880 8 N 3.634695 4.342223 4.233664 5.421696 3.097317 9 C 2.559205 3.222871 3.098174 5.665582 4.253001 10 N 1.468279 2.470907 2.386365 4.737425 4.556822 11 C 2.525420 3.539043 3.479187 3.509419 3.552012 12 N 3.017266 4.018750 4.002147 2.345331 4.088239 13 C 4.300618 5.261437 5.240425 1.366330 3.523345 14 N 5.027801 5.963935 5.929473 2.269531 2.266954 15 H 1.074227 2.114697 1.992906 4.583560 6.084403 16 H 2.109500 1.081740 2.623847 6.721863 7.784995 17 H 2.142029 1.084227 3.337326 5.796808 6.527965 18 C 5.227371 6.079936 6.080577 1.279979 5.708313 19 Br 3.301482 3.531619 3.279949 7.470413 5.865337 20 H 6.008642 6.929940 6.898101 2.394508 2.442671 21 H 2.178667 1.080073 2.748656 7.022143 6.997658 22 H 1.947560 2.373814 0.940252 7.061778 7.481320 23 N 6.414743 7.198740 7.219316 2.291035 6.815319 24 H 4.402334 5.241347 5.211764 2.059851 6.020065 25 C 7.622631 8.424971 8.458172 2.745909 6.952420 26 C 6.737469 7.444405 7.416435 3.595693 8.094636 27 H 8.471454 9.229236 9.274344 3.801344 8.025284 28 H 7.732060 8.420815 8.698901 2.721191 6.594373 29 H 7.791306 8.743360 8.529835 2.757484 6.607419 30 H 7.735597 8.353744 8.453261 4.350844 8.876494 31 H 6.872409 7.723012 7.361157 4.022236 8.396398 32 H 6.133790 6.691376 6.847008 3.850825 8.206416 6 7 8 9 10 6 C 0.000000 7 C 1.423948 0.000000 8 N 2.544229 1.379626 0.000000 9 C 3.490264 2.090224 1.268877 0.000000 10 N 3.526610 2.176256 2.219560 1.369043 0.000000 11 C 2.404624 1.363664 2.253628 2.167249 1.363508 12 N 2.901247 2.440093 3.564750 3.478409 2.411186 13 C 2.470385 2.709150 4.056131 4.333794 3.513123 14 N 1.419751 2.320647 3.672721 4.332733 3.914881 15 H 4.922499 3.835283 4.216549 3.336460 2.019212 16 H 6.710025 5.454807 5.368641 4.217810 3.378352 17 H 5.502778 4.356413 4.390713 3.476440 2.689054 18 C 4.724365 4.882649 6.155977 6.157737 5.027051 19 Br 5.262566 3.911871 2.775586 1.865382 2.835933 20 H 2.051276 3.225285 4.525811 5.283589 4.911605 21 H 6.072763 4.719372 4.257394 3.091107 2.807620 22 H 6.487303 5.133138 4.781186 3.558083 3.040090 23 N 5.914684 6.182465 7.472323 7.477481 6.324012 24 H 4.923332 4.765177 5.910178 5.697991 4.449630 25 C 6.246255 6.810482 8.167551 8.367791 7.336372 26 C 7.118327 7.190473 8.394227 8.211499 6.948210 27 H 7.326827 7.869189 9.218395 9.371748 8.292880 28 H 5.966598 6.632560 7.996455 8.283280 7.328557 29 H 5.993884 6.672287 8.034096 8.331047 7.386715 30 H 7.952769 8.113765 9.346427 9.198534 7.943106 31 H 7.418668 7.448839 8.614922 8.398611 7.138825 32 H 7.152023 7.035634 8.150760 7.831363 6.514554 11 12 13 14 15 11 C 0.000000 12 N 1.346364 0.000000 13 C 2.209258 1.299487 0.000000 14 N 2.564953 2.323059 1.343599 0.000000 15 H 2.535161 2.505021 3.792918 4.753602 0.000000 16 H 4.392866 4.660457 5.927919 6.774319 2.410424 17 H 3.440173 3.786462 4.919469 5.611983 2.432718 18 C 4.014939 2.680284 2.268575 3.443528 4.331859 19 Br 3.963954 5.204863 6.162819 6.188520 4.334559 20 H 3.561229 3.199840 2.016390 0.996894 5.681957 21 H 4.030233 4.767508 5.968272 6.493286 3.038626 22 H 4.259099 4.832846 6.095059 6.770640 2.647849 23 N 5.338535 4.001360 3.515690 4.560332 5.454498 24 H 3.669446 2.351570 2.504674 3.831424 3.429004 25 C 6.200655 4.932102 4.112033 4.827603 6.724366 26 C 6.170547 4.835299 4.657004 5.829075 5.691466 27 H 7.206379 5.908844 5.163329 5.908313 7.523156 28 H 6.141985 4.945478 4.020601 4.572351 6.901707 29 H 6.190856 5.000447 4.055947 4.594571 6.944958 30 H 7.136301 5.793581 5.517220 6.617458 6.689864 31 H 6.415274 5.122891 5.003129 6.167212 5.825510 32 H 5.899550 4.610624 4.694669 5.963730 5.073789 16 17 18 19 20 16 H 0.000000 17 H 1.768379 0.000000 18 C 6.402778 5.712193 0.000000 19 Br 4.353463 4.105822 7.852076 0.000000 20 H 7.723833 6.529888 3.670770 7.128182 0.000000 21 H 1.757386 1.753671 7.020305 2.881045 7.470712 22 H 2.372683 3.431286 6.896848 3.272939 7.751382 23 N 7.408677 6.801610 1.324115 9.153957 4.580917 24 H 5.463233 4.963134 1.074687 7.267183 4.291133 25 C 8.723648 7.963750 2.397818 10.133503 4.539619 26 C 7.444318 7.125739 2.398114 9.747469 5.954999 27 H 9.440550 8.765187 3.277977 11.109661 5.603394 28 H 8.800279 7.845417 2.695942 10.088362 4.197105 29 H 9.104231 8.364058 2.713575 10.113280 4.199260 30 H 8.324997 7.966043 3.256911 10.753932 6.635976 31 H 7.677555 7.549026 2.869768 9.873085 6.313778 32 H 6.599915 6.363702 2.585770 9.268220 6.240815 21 22 23 24 25 21 H 0.000000 22 H 2.466290 0.000000 23 N 8.183391 8.009810 0.000000 24 H 6.228969 5.989463 2.027299 0.000000 25 C 9.364293 9.283141 1.451375 3.348914 0.000000 26 C 8.491883 8.131239 1.446996 2.514955 2.514593 27 H 10.205210 10.075564 2.070950 4.097430 1.080782 28 H 9.315191 9.507013 2.084376 3.695847 1.080712 29 H 9.639979 9.402874 2.093270 3.698577 1.081796 30 H 9.407240 9.144875 2.072455 3.512293 2.608405 31 H 8.762963 8.091777 2.104580 2.866990 3.055289 32 H 7.759238 7.485575 2.082326 2.305324 3.354741 26 27 28 29 30 26 C 0.000000 27 H 2.547010 0.000000 28 H 3.265723 1.766607 0.000000 29 H 3.181205 1.766403 1.752291 0.000000 30 H 1.080279 2.207630 3.299325 3.412763 0.000000 31 H 1.085945 3.047294 3.983911 3.416467 1.762235 32 H 1.082838 3.484460 3.906128 4.086076 1.754486 31 32 31 H 0.000000 32 H 1.761534 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.297001 -1.917859 0.033264 2 6 0 -1.859154 -2.488985 1.319853 3 8 0 -1.939617 -2.427414 -1.093310 4 7 0 3.355816 0.608364 0.026733 5 8 0 0.208629 3.862757 0.026957 6 6 0 0.365406 2.678548 0.041203 7 6 0 -0.584826 1.618036 0.042589 8 7 0 -1.963870 1.655131 0.027473 9 6 0 -2.307060 0.433586 0.037332 10 7 0 -1.261717 -0.450216 0.058158 11 6 0 -0.142377 0.328150 0.038740 12 7 0 1.126848 -0.120993 0.044407 13 6 0 2.008199 0.833653 0.021249 14 7 0 1.677255 2.135847 0.026307 15 1 0 -0.263771 -2.202927 -0.038407 16 1 0 -1.765890 -3.565278 1.264582 17 1 0 -1.289975 -2.120070 2.165716 18 6 0 3.762260 -0.604197 -0.026590 19 35 0 -4.075681 -0.140747 -0.110225 20 1 0 2.412324 2.809112 0.012676 21 1 0 -2.897963 -2.237811 1.475879 22 1 0 -2.654187 -2.992060 -0.859558 23 7 0 5.042747 -0.941185 -0.018030 24 1 0 3.076365 -1.429075 -0.090453 25 6 0 6.054028 0.098790 0.029461 26 6 0 5.423723 -2.323362 -0.213590 27 1 0 7.030698 -0.363866 0.041887 28 1 0 5.924874 0.698272 0.919336 29 1 0 5.972560 0.748596 -0.831583 30 1 0 6.416728 -2.479768 0.181988 31 1 0 5.417637 -2.594509 -1.265121 32 1 0 4.738588 -2.974023 0.315342 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5633745 0.1463798 0.1191579 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1843.8340512006 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.26D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999986 0.005128 -0.000369 0.000883 Ang= 0.60 deg. B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999977 0.002965 0.002412 0.005545 Ang= 0.77 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) = -3432.57219923 A.U. after 14 cycles NFock= 14 Conv=0.68D-08 -V/T= 2.0037 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 0.003589851 0.002457545 0.001989353 2 6 0.000752941 0.002772136 0.002466409 3 8 -0.004110365 0.011982550 -0.009414501 4 7 -0.001223202 0.009599799 -0.005065559 5 8 0.001013938 0.001635281 0.001503195 6 6 0.002521245 0.009343889 -0.008238236 7 6 -0.001838006 -0.008456904 0.003719863 8 7 -0.000874539 0.001553284 0.000759046 9 6 -0.004490220 -0.000969822 -0.005983003 10 7 0.010948284 -0.014877352 -0.001033426 11 6 0.000228068 -0.001087208 0.003155992 12 7 0.000637222 0.000586616 -0.001766369 13 6 0.010827449 -0.004447407 0.009220074 14 7 -0.015944736 -0.003399967 -0.001242569 15 1 0.000078274 0.003927678 -0.001734724 16 1 0.002220041 0.000031970 0.004567363 17 1 0.001737259 -0.001209962 0.000677027 18 6 0.000945440 -0.004824279 0.000159685 19 35 -0.003139190 -0.001184755 0.002424768 20 1 0.002209321 0.001291508 -0.000150119 21 1 -0.001545475 -0.001009259 -0.001598543 22 1 -0.004654668 -0.004397910 0.005232081 23 7 -0.003415949 0.002689940 0.001363027 24 1 0.000023969 -0.002782421 0.001419342 25 6 -0.000432737 0.000595055 -0.001321334 26 6 0.002094595 -0.002573729 -0.000292100 27 1 -0.001073675 0.000295411 -0.000107136 28 1 -0.000136270 0.001043562 -0.000009195 29 1 0.000181700 0.000926729 -0.001040907 30 1 0.000450823 -0.000840771 0.000816079 31 1 0.001492184 0.001135977 -0.000074188 32 1 0.000926430 0.000192817 -0.000401393 ------------------------------------------------------------------- Cartesian Forces: Max 0.015944736 RMS 0.004324146 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.012506339 RMS 0.002946798 Search for a local minimum. Step number 14 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 10 11 14 12 DE= 1.69D-04 DEPred=-3.49D-03 R=-4.84D-02 Trust test=-4.84D-02 RLast= 1.07D+00 DXMaxT set to 1.58D-01 ITU= -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Energy rises -- skip Quadratic/GDIIS search. Quartic linear search produced a step of -0.55143. Iteration 1 RMS(Cart)= 0.05092776 RMS(Int)= 0.00881761 Iteration 2 RMS(Cart)= 0.00878012 RMS(Int)= 0.00028350 Iteration 3 RMS(Cart)= 0.00026596 RMS(Int)= 0.00008628 Iteration 4 RMS(Cart)= 0.00000018 RMS(Int)= 0.00008628 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86436 0.00589 0.00806 0.00000 0.00806 2.87242 R2 2.63328 -0.00547 0.00177 0.00000 0.00177 2.63505 R3 2.77464 -0.00829 -0.02408 0.00000 -0.02408 2.75056 R4 2.02999 0.00283 0.00540 0.00000 0.00540 2.03540 R5 2.04419 0.00301 0.00485 0.00000 0.00485 2.04904 R6 2.04889 -0.00087 -0.00126 0.00000 -0.00126 2.04763 R7 2.04104 0.00130 0.00023 0.00000 0.00023 2.04127 R8 1.77682 0.00646 0.00484 0.00000 0.00484 1.78166 R9 2.58199 0.00456 0.00547 0.00000 0.00547 2.58746 R10 2.41881 0.00201 0.00216 0.00000 0.00216 2.42097 R11 2.25752 -0.00072 0.00006 0.00000 0.00006 2.25758 R12 2.69087 0.00949 0.01528 0.00000 0.01527 2.70615 R13 2.68294 -0.00654 -0.01960 0.00000 -0.01960 2.66334 R14 2.60712 -0.00109 -0.00259 0.00000 -0.00254 2.60457 R15 2.57695 0.00335 -0.00221 0.00000 -0.00215 2.57481 R16 2.39783 0.00128 -0.00122 0.00000 -0.00125 2.39658 R17 2.58712 0.00936 0.01283 0.00000 0.01277 2.59988 R18 3.52506 0.00252 0.00004 0.00000 0.00004 3.52510 R19 2.57666 0.00098 0.00146 0.00000 0.00146 2.57812 R20 2.54426 0.00409 0.00751 0.00000 0.00751 2.55177 R21 2.45567 0.00056 -0.00687 0.00000 -0.00687 2.44881 R22 2.53903 0.00855 0.01311 0.00000 0.01311 2.55215 R23 1.88386 0.00092 0.00074 0.00000 0.00074 1.88460 R24 2.50222 0.00247 0.00026 0.00000 0.00026 2.50248 R25 2.03086 0.00298 0.00482 0.00000 0.00482 2.03569 R26 2.74270 0.00379 0.00351 0.00000 0.00351 2.74621 R27 2.73443 0.00534 0.00790 0.00000 0.00790 2.74233 R28 2.04238 -0.00075 -0.00186 0.00000 -0.00186 2.04052 R29 2.04225 0.00057 0.00096 0.00000 0.00096 2.04321 R30 2.04430 0.00081 0.00011 0.00000 0.00011 2.04441 R31 2.04143 -0.00027 -0.00211 0.00000 -0.00211 2.03932 R32 2.05214 0.00001 -0.00123 0.00000 -0.00123 2.05091 R33 2.04627 -0.00036 0.00037 0.00000 0.00037 2.04664 A1 1.95780 0.00643 0.00630 0.00000 0.00652 1.96432 A2 1.95104 0.00499 0.01312 0.00000 0.01330 1.96435 A3 1.88953 -0.00201 0.00252 0.00000 0.00273 1.89225 A4 1.97176 -0.01251 -0.05310 0.00000 -0.05319 1.91857 A5 1.86772 0.00223 0.02821 0.00000 0.02827 1.89599 A6 1.81654 0.00065 0.00510 0.00000 0.00498 1.82152 A7 1.87502 0.00563 0.01619 0.00000 0.01617 1.89119 A8 1.91697 0.00141 0.00126 0.00000 0.00126 1.91823 A9 1.97327 -0.00401 -0.01037 0.00000 -0.01038 1.96289 A10 1.91043 -0.00349 -0.01535 0.00000 -0.01535 1.89508 A11 1.89831 -0.00060 0.00116 0.00000 0.00113 1.89944 A12 1.88923 0.00094 0.00665 0.00000 0.00664 1.89587 A13 1.94881 -0.00413 -0.01135 0.00000 -0.01135 1.93747 A14 2.05921 -0.00261 -0.00697 0.00000 -0.00697 2.05224 A15 2.27931 0.00165 -0.00385 0.00000 -0.00382 2.27550 A16 2.09446 -0.00157 0.00484 0.00000 0.00488 2.09934 A17 1.90914 -0.00005 -0.00084 0.00000 -0.00083 1.90832 A18 2.27445 0.00043 0.00134 0.00000 0.00135 2.27579 A19 2.08054 -0.00123 -0.00026 0.00000 -0.00027 2.08027 A20 1.92807 0.00081 -0.00101 0.00000 -0.00097 1.92710 A21 1.81768 0.00092 0.00401 0.00000 0.00391 1.82159 A22 1.99883 -0.00060 -0.00249 0.00000 -0.00235 1.99648 A23 2.15583 -0.00347 -0.00500 0.00000 -0.00462 2.15121 A24 2.12515 0.00430 0.00935 0.00000 0.00971 2.13486 A25 2.24808 0.00823 0.01353 0.00000 0.01373 2.26180 A26 2.20197 -0.00586 -0.01038 0.00000 -0.01024 2.19173 A27 1.83184 -0.00235 -0.00519 0.00000 -0.00523 1.82661 A28 1.84791 0.00123 0.00487 0.00000 0.00486 1.85277 A29 2.24133 -0.00038 -0.00275 0.00000 -0.00275 2.23858 A30 2.19370 -0.00085 -0.00205 0.00000 -0.00203 2.19167 A31 1.97602 0.00058 0.00090 0.00000 0.00089 1.97691 A32 2.15046 0.00572 0.01341 0.00000 0.01344 2.16389 A33 1.98529 -0.00450 -0.01281 0.00000 -0.01279 1.97250 A34 2.14703 -0.00117 -0.00038 0.00000 -0.00037 2.14667 A35 2.21193 0.00228 0.00348 0.00000 0.00348 2.21541 A36 2.00789 0.00111 0.01079 0.00000 0.01079 2.01868 A37 2.06335 -0.00339 -0.01426 0.00000 -0.01425 2.04910 A38 2.15065 -0.00475 -0.00557 0.00000 -0.00557 2.14508 A39 2.12579 0.00155 0.00168 0.00000 0.00168 2.12747 A40 2.00671 0.00320 0.00391 0.00000 0.00392 2.01063 A41 2.08480 -0.00091 -0.00129 0.00000 -0.00113 2.08367 A42 2.09075 0.00063 -0.00441 0.00000 -0.00425 2.08650 A43 2.10066 0.00026 0.00866 0.00000 0.00881 2.10947 A44 1.90001 0.00061 0.00211 0.00000 0.00211 1.90212 A45 1.91893 0.00092 0.00483 0.00000 0.00484 1.92377 A46 1.93039 0.00110 0.00115 0.00000 0.00115 1.93154 A47 1.91345 -0.00098 -0.00364 0.00000 -0.00364 1.90981 A48 1.91170 -0.00108 -0.00330 0.00000 -0.00330 1.90840 A49 1.88935 -0.00060 -0.00129 0.00000 -0.00128 1.88806 A50 1.90797 0.00055 -0.00097 0.00000 -0.00097 1.90700 A51 1.94754 0.00140 0.00159 0.00000 0.00161 1.94915 A52 1.91917 0.00104 0.00843 0.00000 0.00845 1.92761 A53 1.90030 -0.00128 -0.00617 0.00000 -0.00617 1.89414 A54 1.89203 -0.00126 -0.00419 0.00000 -0.00419 1.88784 A55 1.89590 -0.00056 0.00088 0.00000 0.00090 1.89680 D1 0.99856 0.00453 0.05274 0.00000 0.05269 1.05125 D2 3.07509 0.00442 0.04449 0.00000 0.04443 3.11952 D3 -1.09596 0.00392 0.04687 0.00000 0.04681 -1.04916 D4 -3.04916 -0.00302 -0.00318 0.00000 -0.00310 -3.05226 D5 -0.97263 -0.00312 -0.01142 0.00000 -0.01136 -0.98399 D6 1.13950 -0.00363 -0.00905 0.00000 -0.00898 1.13052 D7 -1.05835 -0.00072 0.01189 0.00000 0.01189 -1.04646 D8 1.01818 -0.00082 0.00364 0.00000 0.00363 1.02181 D9 3.13031 -0.00133 0.00602 0.00000 0.00600 3.13632 D10 0.07180 0.00227 -0.27115 0.00000 -0.27117 -0.19937 D11 -2.15265 0.00046 -0.25156 0.00000 -0.25124 -2.40389 D12 2.14163 0.00489 -0.24514 0.00000 -0.24544 1.89619 D13 -1.20384 -0.00063 -0.00262 0.00000 -0.00255 -1.20639 D14 2.00096 -0.00111 0.03121 0.00000 0.03125 2.03221 D15 1.02417 0.00198 -0.02602 0.00000 -0.02604 0.99812 D16 -2.05422 0.00150 0.00781 0.00000 0.00776 -2.04646 D17 3.04384 -0.00103 -0.01525 0.00000 -0.01525 3.02859 D18 -0.03455 -0.00151 0.01858 0.00000 0.01855 -0.01600 D19 0.07326 -0.00041 0.05188 0.00000 0.05189 0.12515 D20 -3.09814 0.00118 0.06525 0.00000 0.06524 -3.03290 D21 -3.13325 0.00127 0.01503 0.00000 0.01503 -3.11822 D22 0.01744 0.00012 0.00836 0.00000 0.00836 0.02579 D23 0.00033 0.00050 0.00416 0.00000 0.00420 0.00452 D24 3.12294 0.00086 0.01655 0.00000 0.01656 3.13951 D25 -3.11562 -0.00097 -0.01235 0.00000 -0.01232 -3.12793 D26 0.00700 -0.00061 0.00004 0.00000 0.00005 0.00705 D27 -3.12489 -0.00101 -0.01480 0.00000 -0.01475 -3.13965 D28 0.00964 -0.00103 -0.01041 0.00000 -0.01040 -0.00076 D29 -0.00579 0.00033 -0.00031 0.00000 -0.00032 -0.00611 D30 3.12874 0.00031 0.00409 0.00000 0.00403 3.13277 D31 -3.14139 -0.00048 0.00223 0.00000 0.00221 -3.13919 D32 0.01788 -0.00080 -0.00930 0.00000 -0.00932 0.00856 D33 3.12868 0.00032 0.00021 0.00000 0.00021 3.12888 D34 0.01030 0.00023 -0.00401 0.00000 -0.00404 0.00626 D35 -0.02836 0.00061 0.01028 0.00000 0.01028 -0.01808 D36 3.13645 0.00052 0.00606 0.00000 0.00603 -3.14070 D37 -0.00008 0.00064 0.00469 0.00000 0.00471 0.00463 D38 -3.05465 -0.00257 -0.04447 0.00000 -0.04475 -3.09941 D39 -3.10599 -0.00046 0.03039 0.00000 0.03023 -3.07577 D40 -0.01721 -0.00025 0.00153 0.00000 0.00152 -0.01569 D41 -0.04972 0.00227 0.07862 0.00000 0.07839 0.02866 D42 3.03906 0.00247 0.04975 0.00000 0.04968 3.08874 D43 3.11716 0.00048 -0.03307 0.00000 -0.03332 3.08384 D44 -0.04683 0.00057 -0.02901 0.00000 -0.02923 -0.07607 D45 0.02654 -0.00028 -0.00707 0.00000 -0.00707 0.01947 D46 -3.13745 -0.00018 -0.00301 0.00000 -0.00298 -3.14043 D47 -0.02814 0.00052 0.00756 0.00000 0.00759 -0.02055 D48 3.14095 0.00038 0.00251 0.00000 0.00249 -3.13975 D49 3.13735 0.00086 0.00724 0.00000 0.00714 -3.13870 D50 0.02830 -0.00084 -0.00733 0.00000 -0.00734 0.02096 D51 -3.12527 -0.00127 -0.00898 0.00000 -0.00905 -3.13432 D52 0.02358 -0.00127 -0.01349 0.00000 -0.01356 0.01002 D53 -0.01342 0.00045 0.00441 0.00000 0.00442 -0.00900 D54 3.13543 0.00045 -0.00010 0.00000 -0.00009 3.13534 D55 -0.02013 -0.00064 0.00833 0.00000 0.00840 -0.01173 D56 -3.03554 -0.00055 -0.02801 0.00000 -0.02809 -3.06362 D57 3.11294 0.00043 0.01458 0.00000 0.01465 3.12759 D58 0.09753 0.00053 -0.02176 0.00000 -0.02183 0.07570 D59 3.12956 -0.00013 0.01260 0.00000 0.01264 -3.14098 D60 1.03320 0.00014 0.01281 0.00000 0.01285 1.04605 D61 -1.05241 -0.00039 0.01058 0.00000 0.01062 -1.04179 D62 -0.13894 -0.00020 0.04869 0.00000 0.04865 -0.09030 D63 -2.23530 0.00007 0.04890 0.00000 0.04886 -2.18645 D64 1.96227 -0.00046 0.04666 0.00000 0.04662 2.00889 D65 -2.77233 0.00070 -0.11413 0.00000 -0.11415 -2.88648 D66 1.40785 0.00104 -0.10680 0.00000 -0.10682 1.30103 D67 -0.69714 0.00013 -0.11478 0.00000 -0.11478 -0.81192 D68 0.49661 0.00088 -0.15045 0.00000 -0.15044 0.34617 D69 -1.60640 0.00122 -0.14311 0.00000 -0.14311 -1.74951 D70 2.57180 0.00031 -0.15109 0.00000 -0.15107 2.42073 Item Value Threshold Converged? Maximum Force 0.012506 0.000450 NO RMS Force 0.002947 0.000300 NO Maximum Displacement 0.253264 0.001800 NO RMS Displacement 0.053589 0.001200 NO Predicted change in Energy=-3.891127D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.136800 -4.811397 2.203443 2 6 0 7.134481 -5.100387 3.695738 3 8 0 7.286829 -5.965604 1.435541 4 7 0 7.671371 0.101904 0.328537 5 8 0 3.267550 -0.850121 -0.013615 6 6 0 4.319924 -1.288164 0.343930 7 6 0 4.649590 -2.558473 0.916946 8 7 0 3.847629 -3.639125 1.214783 9 6 0 4.643591 -4.496113 1.705070 10 7 0 5.953310 -4.080629 1.774596 11 6 0 5.945544 -2.824140 1.243151 12 7 0 7.023665 -2.022860 1.105259 13 6 0 6.743887 -0.875527 0.571792 14 7 0 5.491751 -0.515629 0.216007 15 1 0 7.955130 -4.145337 1.987073 16 1 0 8.080475 -5.562217 3.955608 17 1 0 7.038233 -4.174693 4.250647 18 6 0 8.904295 -0.189671 0.518694 19 35 0 4.109550 -6.203471 2.233712 20 1 0 5.370410 0.390264 -0.183007 21 1 0 6.331855 -5.762134 3.986779 22 1 0 7.533446 -6.699683 1.973317 23 7 0 9.885315 0.681951 0.341140 24 1 0 9.214747 -1.171528 0.834955 25 6 0 9.570303 2.029531 -0.102344 26 6 0 11.262745 0.247794 0.482952 27 1 0 10.486968 2.593166 -0.191774 28 1 0 8.917974 2.514700 0.610477 29 1 0 9.067611 2.008629 -1.060087 30 1 0 11.902562 1.113292 0.561331 31 1 0 11.586052 -0.344181 -0.367286 32 1 0 11.382408 -0.343146 1.382638 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520021 0.000000 3 O 1.394409 2.424933 0.000000 4 N 5.285978 6.220139 6.179643 0.000000 5 O 5.964742 6.839387 6.665044 4.518524 0.000000 6 C 4.879114 5.804257 5.645581 3.628322 1.194658 7 C 3.594017 4.511951 4.339644 4.068782 2.386303 8 N 3.629094 4.369648 4.158045 5.422337 3.102256 9 C 2.562005 3.245372 3.036240 5.674862 4.259181 10 N 1.455535 2.475047 2.333744 4.747252 4.565872 11 C 2.508076 3.551064 3.421236 3.518058 3.556383 12 N 2.999125 4.024181 3.965296 2.353177 4.090915 13 C 4.278755 5.268875 5.191313 1.369223 3.525374 14 N 5.010959 5.985574 5.866157 2.268205 2.260902 15 H 1.077086 2.122527 2.015982 4.568404 6.069151 16 H 2.127048 1.084307 2.672701 6.738344 7.818108 17 H 2.146195 1.083558 3.345741 5.837216 6.592022 18 C 5.227119 6.110727 6.067801 1.281123 5.700213 19 Br 3.332121 3.536174 3.284625 7.488258 5.866668 20 H 5.989371 6.950098 6.832965 2.374710 2.447298 21 H 2.175344 1.080196 2.731701 7.040169 7.037115 22 H 1.943170 2.384041 0.942812 6.998994 7.507538 23 N 6.418675 7.228821 7.220792 2.288703 6.802052 24 H 4.408999 5.286541 5.201993 2.064000 6.016021 25 C 7.618195 8.437677 8.455857 2.739954 6.930004 26 C 6.751217 7.481150 7.437853 3.597652 8.085489 27 H 8.472795 9.248929 9.281250 3.795353 8.000498 28 H 7.705960 8.407689 8.675074 2.730401 6.605967 29 H 7.803295 8.768864 8.543286 2.741052 6.550439 30 H 7.778879 8.436167 8.495881 4.356613 8.874062 31 H 6.808856 7.677639 7.303006 4.000986 8.341374 32 H 6.218053 6.784295 6.956192 3.883425 8.249695 6 7 8 9 10 6 C 0.000000 7 C 1.432031 0.000000 8 N 2.551170 1.378281 0.000000 9 C 3.499772 2.091800 1.268214 0.000000 10 N 3.537318 2.179956 2.223108 1.375799 0.000000 11 C 2.410490 1.362529 2.250834 2.168858 1.364280 12 N 2.903380 2.441019 3.565321 3.484466 2.414143 13 C 2.469370 2.708785 4.054531 4.336382 3.513464 14 N 1.409380 2.318137 3.668367 4.333698 3.918094 15 H 4.906942 3.819673 4.210018 3.341984 2.014104 16 H 6.741920 5.479682 5.396980 4.244251 3.387734 17 H 5.566300 4.408100 4.436582 3.509642 2.704946 18 C 4.717381 4.885932 6.160612 6.173049 5.042337 19 Br 5.270273 3.912995 2.771767 1.865404 2.848981 20 H 2.048976 3.228703 4.528648 5.288647 4.915371 21 H 6.110207 4.745243 4.285150 3.107932 2.804373 22 H 6.501244 5.155790 4.850530 3.644027 3.065251 23 N 5.903807 6.184231 7.475868 7.493219 6.340161 24 H 4.920772 4.771896 5.919397 5.718866 4.470209 25 C 6.226776 6.804568 8.161954 8.373964 7.344359 26 C 7.112051 7.197034 8.404027 8.234770 6.970918 27 H 7.306445 7.864072 9.214157 9.380883 8.304229 28 H 5.972845 6.637025 7.996446 8.283718 7.324122 29 H 5.948162 6.654771 8.019998 8.338448 7.403605 30 H 7.956799 8.137193 9.375202 9.244795 7.990146 31 H 7.361627 7.393703 8.558200 8.350507 7.090592 32 H 7.200740 7.103195 8.225847 7.922295 6.602842 11 12 13 14 15 11 C 0.000000 12 N 1.350336 0.000000 13 C 2.210241 1.295853 0.000000 14 N 2.567133 2.325784 1.350538 0.000000 15 H 2.517423 2.479946 3.763215 4.730718 0.000000 16 H 4.405953 4.665660 5.933105 6.793685 2.428660 17 H 3.473183 3.811045 4.950264 5.662038 2.442403 18 C 4.027340 2.690987 2.267285 3.441413 4.324852 19 Br 3.971393 5.219481 6.171604 6.191377 4.368664 20 H 3.563299 3.196255 2.014544 0.997286 5.653468 21 H 4.038383 4.771156 5.975854 6.515390 3.041032 22 H 4.251401 4.783939 6.042224 6.745308 2.588955 23 N 5.350523 4.011100 3.513903 4.555575 5.453203 24 H 3.685842 2.366151 2.502403 3.830665 3.428929 25 C 6.205430 4.936147 4.108826 4.818068 6.715910 26 C 6.187674 4.849015 4.657234 5.827388 5.701080 27 H 7.213235 5.914767 5.159993 5.897719 7.520972 28 H 6.143193 4.941929 4.027628 4.591024 6.868637 29 H 6.197408 5.011920 4.047355 4.559284 6.956587 30 H 7.173166 5.825371 5.528783 6.623529 6.728161 31 H 6.368597 5.079540 4.960923 6.124552 5.759809 32 H 5.977816 4.679426 4.738859 6.007547 5.154439 16 17 18 19 20 16 H 0.000000 17 H 1.760267 0.000000 18 C 6.430809 5.769754 0.000000 19 Br 4.375428 4.094038 7.880143 0.000000 20 H 7.739807 6.578583 3.649253 7.134959 0.000000 21 H 1.760287 1.757432 7.049639 2.864727 7.494231 22 H 2.350010 3.436138 6.809950 3.469451 7.719832 23 N 7.437168 6.853985 1.324255 9.184244 4.554578 24 H 5.504834 5.042139 1.077240 7.303424 4.272512 25 C 8.736201 7.990764 2.398773 10.151813 4.509191 26 C 7.479467 7.183344 2.398946 9.790413 5.931560 27 H 9.460564 8.799591 3.279299 11.132622 5.570639 28 H 8.782248 7.844249 2.705962 10.087732 4.210469 29 H 9.135061 8.399747 2.711410 10.142488 4.130092 30 H 8.407847 8.076852 3.269425 10.819562 6.614062 31 H 7.629180 7.528665 2.828543 9.848581 6.261595 32 H 6.690414 6.463597 2.628878 9.378817 6.255658 21 22 23 24 25 21 H 0.000000 22 H 2.525242 0.000000 23 N 8.212429 7.917311 0.000000 24 H 6.270464 5.889239 2.031970 0.000000 25 C 9.376488 9.200888 1.453231 3.354360 0.000000 26 C 8.527000 8.024731 1.451178 2.516482 2.526166 27 H 10.224301 9.988392 2.073337 4.104345 1.079795 28 H 9.305558 9.416958 2.089799 3.704961 1.081220 29 H 9.661262 9.348257 2.095747 3.704893 1.081854 30 H 9.488833 9.062310 2.074566 3.538308 2.592179 31 H 8.713133 7.892683 2.108867 2.784417 3.125371 32 H 7.852075 7.454461 2.092087 2.384309 3.334440 26 27 28 29 30 26 C 0.000000 27 H 2.560831 0.000000 28 H 3.263905 1.763947 0.000000 29 H 3.209381 1.763584 1.751937 0.000000 30 H 1.079164 2.181995 3.297594 3.386381 0.000000 31 H 1.085295 3.141146 4.030863 3.515428 1.756911 32 H 1.083035 3.450002 3.851876 4.105611 1.751090 31 32 31 H 0.000000 32 H 1.761734 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.284336 -1.921245 0.010207 2 6 0 -1.871510 -2.533951 1.271271 3 8 0 -1.931500 -2.354895 -1.146298 4 7 0 3.358356 0.605623 0.054013 5 8 0 0.215804 3.851734 -0.010668 6 6 0 0.373279 2.667662 0.008910 7 6 0 -0.585779 1.604228 0.014260 8 7 0 -1.963339 1.643723 -0.006397 9 6 0 -2.313485 0.424967 0.013533 10 7 0 -1.266261 -0.466443 0.052688 11 6 0 -0.147571 0.314273 0.036071 12 7 0 1.125171 -0.136185 0.061039 13 6 0 2.005271 0.814698 0.039132 14 7 0 1.673403 2.123678 0.019398 15 1 0 -0.245709 -2.199706 -0.051670 16 1 0 -1.769196 -3.611504 1.206982 17 1 0 -1.324394 -2.186391 2.139583 18 6 0 3.773207 -0.602002 -0.049989 19 35 0 -4.092746 -0.129606 -0.066548 20 1 0 2.418829 2.786103 0.008777 21 1 0 -2.915765 -2.290024 1.401094 22 1 0 -2.503655 -3.081075 -0.961373 23 7 0 5.056735 -0.926672 -0.021760 24 1 0 3.093409 -1.429044 -0.169659 25 6 0 6.054291 0.120739 0.118578 26 6 0 5.451167 -2.305538 -0.243273 27 1 0 7.036527 -0.327773 0.121330 28 1 0 5.902602 0.659872 1.043436 29 1 0 5.984798 0.826234 -0.698647 30 1 0 6.477297 -2.436117 0.064302 31 1 0 5.366529 -2.583690 -1.288899 32 1 0 4.834746 -2.974439 0.344573 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5681047 0.1456117 0.1188560 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1842.6763878946 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.29D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999997 0.002310 -0.000185 0.000450 Ang= 0.27 deg. B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999996 -0.002823 0.000184 -0.000434 Ang= -0.33 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) = -3432.57279045 A.U. after 10 cycles NFock= 10 Conv=0.58D-08 -V/T= 2.0037 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 0.003460838 -0.000486049 0.001978330 2 6 0.000751569 0.001784229 0.001013238 3 8 -0.002650827 0.006506307 -0.005193004 4 7 -0.000212237 0.004614141 -0.002328435 5 8 0.000476596 0.001074324 0.000281641 6 6 0.000183467 0.003184594 -0.002971437 7 6 -0.002016518 -0.004237248 0.001768715 8 7 -0.001095795 0.001544301 0.000014983 9 6 -0.000441099 -0.000918490 -0.002530382 10 7 0.002397820 -0.006632603 -0.001133078 11 6 0.001293744 0.000379121 0.001556413 12 7 0.000925980 -0.000922495 -0.000290760 13 6 0.004664129 -0.000874547 0.003223187 14 7 -0.006655928 -0.000764831 -0.000846814 15 1 -0.000203040 0.002052030 -0.001201192 16 1 0.001065136 -0.000152198 0.002404109 17 1 0.000763406 -0.000457153 0.000379599 18 6 -0.000011025 -0.003475041 0.001043343 19 35 -0.001832879 -0.000906658 0.001057759 20 1 0.000898030 0.000619436 -0.000042451 21 1 -0.000837602 -0.000499888 -0.000870359 22 1 -0.001442376 -0.002725729 0.003210255 23 7 -0.000847078 0.002087300 0.001000851 24 1 -0.000249649 -0.001196330 0.000493374 25 6 -0.000531050 0.000440608 -0.001138188 26 6 0.001045625 -0.001652091 -0.000570380 27 1 -0.000265089 0.000256088 -0.000011608 28 1 -0.000139132 0.000417494 0.000186605 29 1 0.000090122 0.000408894 -0.000684421 30 1 0.000338332 -0.000100626 0.000753212 31 1 0.000852738 0.000691122 -0.000365000 32 1 0.000223791 -0.000058011 -0.000188106 ------------------------------------------------------------------- Cartesian Forces: Max 0.006655928 RMS 0.002009885 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005646256 RMS 0.001410935 Search for a local minimum. Step number 15 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 14 12 15 ITU= 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- -0.00042 0.00297 0.00446 0.00942 0.01270 Eigenvalues --- 0.01318 0.01416 0.01672 0.01684 0.01801 Eigenvalues --- 0.01878 0.01976 0.02109 0.02239 0.02351 Eigenvalues --- 0.02448 0.02628 0.02654 0.03361 0.04583 Eigenvalues --- 0.05386 0.05512 0.05839 0.06423 0.07027 Eigenvalues --- 0.07530 0.07678 0.07781 0.07791 0.08624 Eigenvalues --- 0.15571 0.15790 0.15951 0.15994 0.16000 Eigenvalues --- 0.16001 0.16005 0.16013 0.16040 0.16147 Eigenvalues --- 0.16166 0.16586 0.18523 0.19048 0.21277 Eigenvalues --- 0.22200 0.23902 0.24413 0.24855 0.24875 Eigenvalues --- 0.24931 0.25033 0.25066 0.25187 0.26112 Eigenvalues --- 0.28467 0.29931 0.32236 0.33279 0.33673 Eigenvalues --- 0.33716 0.33738 0.33756 0.33775 0.33800 Eigenvalues --- 0.33826 0.33915 0.34252 0.35258 0.38338 Eigenvalues --- 0.39223 0.40131 0.40766 0.41094 0.41775 Eigenvalues --- 0.43695 0.44931 0.45335 0.47176 0.47828 Eigenvalues --- 0.48661 0.50687 0.51942 0.52867 0.60207 Eigenvalues --- 0.68230 0.68364 0.74072 0.77335 0.87376 RFO step: Lambda=-2.38993800D-03 EMin=-4.21840315D-04 Quartic linear search produced a step of -0.01008. Iteration 1 RMS(Cart)= 0.08962505 RMS(Int)= 0.03773424 Iteration 2 RMS(Cart)= 0.02866545 RMS(Int)= 0.00874151 Iteration 3 RMS(Cart)= 0.00808349 RMS(Int)= 0.00029829 Iteration 4 RMS(Cart)= 0.00027032 RMS(Int)= 0.00012394 Iteration 5 RMS(Cart)= 0.00000020 RMS(Int)= 0.00012394 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87242 0.00274 0.00007 -0.00476 -0.00469 2.86773 R2 2.63505 -0.00248 0.00001 -0.01005 -0.01003 2.62502 R3 2.75056 -0.00178 -0.00020 0.03618 0.03598 2.78654 R4 2.03540 0.00136 0.00004 -0.00321 -0.00316 2.03224 R5 2.04904 0.00157 0.00004 -0.00078 -0.00074 2.04830 R6 2.04763 -0.00026 -0.00001 -0.00032 -0.00033 2.04730 R7 2.04127 0.00069 0.00000 0.00557 0.00557 2.04685 R8 1.78166 0.00358 0.00004 0.00200 0.00204 1.78370 R9 2.58746 0.00226 0.00004 0.00039 0.00043 2.58789 R10 2.42097 0.00106 0.00002 0.00074 0.00076 2.42173 R11 2.25758 -0.00011 0.00000 -0.00056 -0.00056 2.25701 R12 2.70615 0.00447 0.00013 0.00215 0.00226 2.70841 R13 2.66334 -0.00159 -0.00016 0.01127 0.01112 2.67446 R14 2.60457 -0.00066 -0.00002 -0.00307 -0.00312 2.60145 R15 2.57481 0.00244 -0.00002 0.00815 0.00810 2.58291 R16 2.39658 0.00169 -0.00001 0.00606 0.00604 2.40261 R17 2.59988 0.00397 0.00011 -0.01165 -0.01153 2.58836 R18 3.52510 0.00165 0.00000 0.00549 0.00549 3.53059 R19 2.57812 0.00093 0.00001 0.00092 0.00096 2.57908 R20 2.55177 0.00193 0.00006 -0.00037 -0.00031 2.55145 R21 2.44881 0.00146 -0.00006 0.00628 0.00624 2.45505 R22 2.55215 0.00433 0.00011 0.00149 0.00161 2.55376 R23 1.88460 0.00047 0.00001 0.00034 0.00035 1.88495 R24 2.50248 0.00234 0.00000 0.00591 0.00591 2.50839 R25 2.03569 0.00116 0.00004 -0.00183 -0.00179 2.03390 R26 2.74621 0.00210 0.00003 0.00258 0.00261 2.74882 R27 2.74233 0.00263 0.00006 -0.00124 -0.00118 2.74115 R28 2.04052 -0.00009 -0.00002 0.00232 0.00230 2.04282 R29 2.04321 0.00039 0.00001 -0.00037 -0.00037 2.04284 R30 2.04441 0.00056 0.00000 0.00169 0.00169 2.04610 R31 2.03932 0.00017 -0.00002 0.00397 0.00396 2.04328 R32 2.05091 0.00016 -0.00001 0.00189 0.00188 2.05279 R33 2.04664 -0.00010 0.00000 -0.00170 -0.00169 2.04495 A1 1.96432 0.00332 0.00005 0.00636 0.00655 1.97087 A2 1.96435 0.00198 0.00011 -0.02944 -0.02933 1.93502 A3 1.89225 -0.00083 0.00002 0.01744 0.01739 1.90964 A4 1.91857 -0.00565 -0.00043 0.02967 0.02933 1.94790 A5 1.89599 0.00085 0.00023 -0.02061 -0.02038 1.87562 A6 1.82152 0.00015 0.00004 -0.00464 -0.00444 1.81708 A7 1.89119 0.00305 0.00013 0.01097 0.01110 1.90228 A8 1.91823 0.00065 0.00001 -0.00090 -0.00096 1.91727 A9 1.96289 -0.00216 -0.00008 -0.01240 -0.01251 1.95039 A10 1.89508 -0.00174 -0.00013 0.00758 0.00740 1.90248 A11 1.89944 -0.00034 0.00001 0.00220 0.00225 1.90169 A12 1.89587 0.00051 0.00005 -0.00669 -0.00672 1.88915 A13 1.93747 -0.00181 -0.00009 0.01171 0.01162 1.94908 A14 2.05224 -0.00159 -0.00006 -0.00496 -0.00502 2.04722 A15 2.27550 0.00113 -0.00003 0.00688 0.00682 2.28232 A16 2.09934 -0.00124 0.00004 -0.00654 -0.00653 2.09281 A17 1.90832 0.00012 -0.00001 -0.00023 -0.00027 1.90805 A18 2.27579 0.00037 0.00001 0.00302 0.00307 2.27886 A19 2.08027 -0.00080 -0.00000 -0.00484 -0.00486 2.07541 A20 1.92710 0.00044 -0.00001 0.00181 0.00178 1.92889 A21 1.82159 0.00042 0.00003 -0.00466 -0.00469 1.81690 A22 1.99648 -0.00037 -0.00002 0.00506 0.00505 2.00153 A23 2.15121 -0.00202 -0.00004 -0.00287 -0.00292 2.14829 A24 2.13486 0.00244 0.00007 -0.00215 -0.00208 2.13278 A25 2.26180 0.00425 0.00011 0.00249 0.00235 2.26415 A26 2.19173 -0.00344 -0.00009 -0.00164 -0.00199 2.18974 A27 1.82661 -0.00079 -0.00004 0.00210 0.00187 1.82848 A28 1.85277 0.00030 0.00004 -0.00389 -0.00385 1.84892 A29 2.23858 0.00023 -0.00002 0.00708 0.00700 2.24559 A30 2.19167 -0.00054 -0.00002 -0.00296 -0.00300 2.18867 A31 1.97691 0.00024 0.00001 -0.00219 -0.00216 1.97475 A32 2.16389 0.00200 0.00011 -0.00827 -0.00837 2.15552 A33 1.97250 -0.00124 -0.00011 0.01029 0.00998 1.98248 A34 2.14667 -0.00076 -0.00000 -0.00149 -0.00165 2.14502 A35 2.21541 0.00097 0.00003 0.00207 0.00213 2.21753 A36 2.01868 0.00044 0.00009 -0.00435 -0.00427 2.01441 A37 2.04910 -0.00141 -0.00012 0.00227 0.00214 2.05124 A38 2.14508 -0.00263 -0.00005 -0.00452 -0.00469 2.14040 A39 2.12747 0.00070 0.00001 -0.00107 -0.00117 2.12630 A40 2.01063 0.00193 0.00003 0.00565 0.00556 2.01619 A41 2.08367 -0.00060 -0.00001 -0.00188 -0.00257 2.08109 A42 2.08650 0.00035 -0.00004 0.00752 0.00675 2.09324 A43 2.10947 0.00024 0.00007 -0.01105 -0.01163 2.09784 A44 1.90212 0.00026 0.00002 -0.00319 -0.00318 1.89893 A45 1.92377 0.00023 0.00004 -0.00554 -0.00551 1.91826 A46 1.93154 0.00050 0.00001 0.00312 0.00313 1.93467 A47 1.90981 -0.00037 -0.00003 0.00165 0.00161 1.91142 A48 1.90840 -0.00049 -0.00003 -0.00023 -0.00026 1.90814 A49 1.88806 -0.00014 -0.00001 0.00428 0.00427 1.89233 A50 1.90700 0.00021 -0.00001 0.00131 0.00128 1.90828 A51 1.94915 0.00077 0.00001 0.00528 0.00529 1.95444 A52 1.92761 0.00020 0.00007 -0.01279 -0.01273 1.91488 A53 1.89414 -0.00057 -0.00005 0.00406 0.00399 1.89812 A54 1.88784 -0.00055 -0.00003 -0.00158 -0.00164 1.88620 A55 1.89680 -0.00012 0.00001 0.00379 0.00381 1.90061 D1 1.05125 0.00205 0.00043 -0.03305 -0.03262 1.01863 D2 3.11952 0.00213 0.00037 -0.01792 -0.01754 3.10199 D3 -1.04916 0.00178 0.00038 -0.03542 -0.03498 -1.08413 D4 -3.05226 -0.00132 -0.00003 -0.01155 -0.01156 -3.06382 D5 -0.98399 -0.00124 -0.00009 0.00358 0.00352 -0.98047 D6 1.13052 -0.00159 -0.00007 -0.01392 -0.01392 1.11660 D7 -1.04646 -0.00053 0.00010 -0.02302 -0.02301 -1.06947 D8 1.02181 -0.00045 0.00003 -0.00788 -0.00793 1.01388 D9 3.13632 -0.00081 0.00005 -0.02539 -0.02536 3.11095 D10 -0.19937 0.00105 -0.00222 0.45299 0.45092 0.25155 D11 -2.40389 0.00035 -0.00207 0.46386 0.46163 -1.94226 D12 1.89619 0.00268 -0.00201 0.46495 0.46296 2.35915 D13 -1.20639 -0.00056 -0.00002 -0.05360 -0.05347 -1.25986 D14 2.03221 -0.00086 0.00026 -0.10056 -0.10016 1.93205 D15 0.99812 0.00090 -0.00021 -0.04424 -0.04452 0.95360 D16 -2.04646 0.00061 0.00006 -0.09120 -0.09122 -2.13768 D17 3.02859 -0.00065 -0.00012 -0.05683 -0.05702 2.97156 D18 -0.01600 -0.00095 0.00015 -0.10379 -0.10372 -0.11972 D19 0.12515 -0.00022 0.00043 0.00085 0.00128 0.12643 D20 -3.03290 0.00033 0.00053 0.03603 0.03656 -2.99634 D21 -3.11822 0.00047 0.00012 0.03057 0.03066 -3.08756 D22 0.02579 0.00010 0.00007 0.00069 0.00079 0.02659 D23 0.00452 0.00015 0.00003 0.00332 0.00341 0.00794 D24 3.13951 0.00029 0.00014 0.00215 0.00235 -3.14133 D25 -3.12793 -0.00038 -0.00010 -0.01162 -0.01168 -3.13961 D26 0.00705 -0.00024 0.00000 -0.01280 -0.01275 -0.00570 D27 -3.13965 -0.00033 -0.00012 -0.00154 -0.00157 -3.14122 D28 -0.00076 -0.00033 -0.00009 -0.00398 -0.00401 -0.00477 D29 -0.00611 0.00015 -0.00000 0.01173 0.01169 0.00558 D30 3.13277 0.00014 0.00003 0.00929 0.00926 -3.14116 D31 -3.13919 -0.00021 0.00002 0.00093 0.00088 -3.13830 D32 0.00856 -0.00034 -0.00008 0.00205 0.00190 0.01047 D33 3.12888 0.00007 0.00000 0.01254 0.01252 3.14141 D34 0.00626 0.00008 -0.00003 -0.00056 -0.00061 0.00565 D35 -0.01808 0.00019 0.00008 0.01160 0.01166 -0.00642 D36 -3.14070 0.00019 0.00005 -0.00150 -0.00147 3.14101 D37 0.00463 0.00035 0.00004 -0.01549 -0.01545 -0.01082 D38 -3.09941 -0.00100 -0.00036 -0.01664 -0.01701 -3.11641 D39 -3.07577 -0.00030 0.00025 -0.01649 -0.01630 -3.09206 D40 -0.01569 -0.00024 0.00001 0.02280 0.02285 0.00716 D41 0.02866 0.00093 0.00065 -0.01537 -0.01477 0.01389 D42 3.08874 0.00100 0.00041 0.02392 0.02437 3.11311 D43 3.08384 0.00053 -0.00027 0.01803 0.01774 3.10158 D44 -0.07607 0.00053 -0.00024 0.03082 0.03047 -0.04560 D45 0.01947 0.00000 -0.00006 -0.01943 -0.01947 -0.00000 D46 -3.14043 0.00000 -0.00002 -0.00664 -0.00675 3.13600 D47 -0.02055 0.00020 0.00006 0.01679 0.01686 -0.00369 D48 -3.13975 0.00020 0.00002 0.00130 0.00134 -3.13841 D49 -3.13870 0.00030 0.00006 0.02051 0.02040 -3.11830 D50 0.02096 -0.00030 -0.00006 -0.01820 -0.01821 0.00275 D51 -3.13432 -0.00044 -0.00007 -0.03022 -0.03042 3.11845 D52 0.01002 -0.00043 -0.00011 -0.02774 -0.02792 -0.01790 D53 -0.00900 0.00014 0.00004 0.00448 0.00455 -0.00445 D54 3.13534 0.00014 -0.00000 0.00697 0.00704 -3.14080 D55 -0.01173 -0.00022 0.00007 -0.03102 -0.03116 -0.04289 D56 -3.06362 -0.00009 -0.00023 0.03773 0.03768 -3.02594 D57 3.12759 0.00013 0.00012 -0.00299 -0.00305 3.12454 D58 0.07570 0.00026 -0.00018 0.06576 0.06579 0.14148 D59 -3.14098 -0.00007 0.00010 -0.01884 -0.01890 3.12330 D60 1.04605 0.00009 0.00010 -0.01548 -0.01556 1.03050 D61 -1.04179 -0.00020 0.00009 -0.01923 -0.01932 -1.06111 D62 -0.09030 -0.00019 0.00040 -0.08753 -0.08695 -0.17725 D63 -2.18645 -0.00004 0.00040 -0.08418 -0.08361 -2.27006 D64 2.00889 -0.00032 0.00038 -0.08792 -0.08737 1.92152 D65 -2.88648 0.00060 -0.00094 0.20661 0.20566 -2.68082 D66 1.30103 0.00069 -0.00088 0.19732 0.19642 1.49745 D67 -0.81192 0.00018 -0.00094 0.19775 0.19681 -0.61510 D68 0.34617 0.00078 -0.00123 0.27590 0.27467 0.62085 D69 -1.74951 0.00087 -0.00117 0.26661 0.26544 -1.48407 D70 2.42073 0.00036 -0.00124 0.26704 0.26583 2.68656 Item Value Threshold Converged? Maximum Force 0.005646 0.000450 NO RMS Force 0.001411 0.000300 NO Maximum Displacement 0.616217 0.001800 NO RMS Displacement 0.105666 0.001200 NO Predicted change in Energy=-2.408474D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.180364 -4.824564 2.189412 2 6 0 7.172248 -4.998007 3.696984 3 8 0 7.344980 -6.023651 1.507731 4 7 0 7.666730 0.107538 0.353586 5 8 0 3.264980 -0.879122 -0.036191 6 6 0 4.315321 -1.316201 0.327459 7 6 0 4.653851 -2.588127 0.894689 8 7 0 3.865456 -3.680537 1.177854 9 6 0 4.675403 -4.527703 1.670577 10 7 0 5.976131 -4.103722 1.737106 11 6 0 5.955490 -2.837115 1.229238 12 7 0 7.027818 -2.025860 1.107022 13 6 0 6.736279 -0.867658 0.595773 14 7 0 5.482150 -0.521151 0.230596 15 1 0 7.993341 -4.179191 1.908207 16 1 0 8.103899 -5.459101 4.004044 17 1 0 7.081598 -4.031512 4.178020 18 6 0 8.899264 -0.202124 0.518721 19 35 0 4.157655 -6.240081 2.209346 20 1 0 5.349095 0.389285 -0.154567 21 1 0 6.347482 -5.618717 4.025132 22 1 0 7.207358 -6.767398 2.072386 23 7 0 9.883816 0.676032 0.372282 24 1 0 9.201316 -1.192850 0.811347 25 6 0 9.568634 2.034179 -0.042436 26 6 0 11.263750 0.232852 0.431243 27 1 0 10.485109 2.605500 -0.089909 28 1 0 8.895519 2.489842 0.670239 29 1 0 9.092275 2.039444 -1.014752 30 1 0 11.889485 1.052609 0.756161 31 1 0 11.619908 -0.117330 -0.533406 32 1 0 11.359296 -0.568557 1.152104 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.517538 0.000000 3 O 1.389099 2.423759 0.000000 4 N 5.285115 6.122859 6.247164 0.000000 5 O 5.987492 6.794744 6.745093 4.527784 0.000000 6 C 4.897341 5.750775 5.721185 3.641381 1.194360 7 C 3.614033 4.472438 4.406907 4.078828 2.390857 8 N 3.649748 4.360804 4.207861 5.429421 3.111656 9 C 2.575295 3.249884 3.064478 5.671681 4.267845 10 N 1.474575 2.464054 2.369069 4.744151 4.570883 11 C 2.524323 3.498532 3.487442 3.516545 3.560041 12 N 3.004594 3.944923 4.030321 2.351013 4.096449 13 C 4.288823 5.183373 5.271285 1.369453 3.528375 14 N 5.023968 5.908850 5.948001 2.276569 2.261672 15 H 1.075413 2.131754 1.995691 4.571604 6.085108 16 H 2.132708 1.083913 2.669504 6.671164 7.791973 17 H 2.143187 1.083386 3.341920 5.665722 6.501055 18 C 5.206993 6.007032 6.106072 1.281523 5.701878 19 Br 3.337792 3.583794 3.270802 7.486636 5.880408 20 H 6.002667 6.868860 6.918999 2.389359 2.442622 21 H 2.166620 1.083144 2.737934 6.928973 6.961317 22 H 1.946542 2.402352 0.943893 7.101411 7.393256 23 N 6.392744 7.113435 7.254012 2.288887 6.811339 24 H 4.378659 5.188761 5.221836 2.062888 6.004734 25 C 7.597850 8.317305 8.501545 2.736058 6.944308 26 C 6.733696 7.400496 7.460524 3.600040 8.089209 27 H 8.445265 9.117506 9.320682 3.792065 8.017215 28 H 7.664867 8.258252 8.693971 2.699178 6.599389 29 H 7.812598 8.684047 8.627251 2.763474 6.590370 30 H 7.666237 8.216490 8.443390 4.345904 8.873640 31 H 7.020067 7.842123 7.571386 4.057701 8.404307 32 H 6.054178 6.605135 6.782274 3.837939 8.186968 6 7 8 9 10 6 C 0.000000 7 C 1.433229 0.000000 8 N 2.552574 1.376630 0.000000 9 C 3.499624 2.089121 1.271409 0.000000 10 N 3.537748 2.180624 2.224139 1.369700 0.000000 11 C 2.411749 1.366815 2.254383 2.165985 1.364789 12 N 2.910150 2.448867 3.569805 3.480039 2.412584 13 C 2.476736 2.717696 4.061124 4.335706 3.514623 14 N 1.415266 2.323680 3.673243 4.333226 3.917704 15 H 4.921717 3.835479 4.221552 3.344643 2.025860 16 H 6.710753 5.460166 5.395835 4.250547 3.391675 17 H 5.463700 4.331003 4.412227 3.510449 2.680547 18 C 4.721259 4.884455 6.154107 6.154544 5.025101 19 Br 5.273609 3.912967 2.775000 1.868307 2.844977 20 H 2.051760 3.232535 4.532105 5.287890 4.915151 21 H 6.026119 4.674670 4.245467 3.087084 2.769147 22 H 6.412814 5.037229 4.636507 3.404185 2.953557 23 N 5.914316 6.187098 7.473239 7.476095 6.322879 24 H 4.911447 4.757435 5.898671 5.687127 4.442075 25 C 6.241728 6.811681 8.165373 8.362800 7.331212 26 C 7.119761 7.201630 8.402785 8.222236 6.962045 27 H 7.322583 7.870626 9.216360 9.366674 8.287492 28 H 5.965038 6.620264 7.977016 8.249606 7.289453 29 H 5.990090 6.690290 8.052661 8.357463 7.417653 30 H 7.947515 8.101145 9.325531 9.166189 7.906817 31 H 7.452206 7.527965 8.703814 8.516754 7.273154 32 H 7.131380 7.007704 8.114352 7.785761 6.466690 11 12 13 14 15 11 C 0.000000 12 N 1.350170 0.000000 13 C 2.211260 1.299155 0.000000 14 N 2.566130 2.328382 1.351392 0.000000 15 H 2.532786 2.492181 3.777425 4.743597 0.000000 16 H 4.380642 4.619288 5.879459 6.745059 2.458236 17 H 3.374911 3.668318 4.791838 5.519332 2.450538 18 C 4.014202 2.678511 2.264372 3.444048 4.309110 19 Br 3.971524 5.216571 6.173803 6.194829 4.364680 20 H 3.562624 3.200413 2.016729 0.997471 5.667278 21 H 3.963331 4.678338 5.872327 6.413461 3.043429 22 H 4.210130 4.842142 6.099937 6.736775 2.709896 23 N 5.339319 3.999599 3.512822 4.563769 5.431957 24 H 3.662462 2.346364 2.495723 3.823696 3.403019 25 C 6.196892 4.925537 4.104900 4.827381 6.700188 26 C 6.183779 4.847843 4.662208 5.834011 5.687102 27 H 7.202753 5.902118 5.156230 5.908322 7.498894 28 H 6.110051 4.906185 3.992577 4.572795 6.842696 29 H 6.217374 5.028977 4.073788 4.597885 6.958647 30 H 7.110981 5.765057 5.501698 6.618676 6.624114 31 H 6.526085 5.236486 5.068321 6.198294 5.967594 32 H 5.861179 4.570280 4.665967 5.949140 4.993798 16 17 18 19 20 16 H 0.000000 17 H 1.764476 0.000000 18 C 6.357349 5.599874 0.000000 19 Br 4.404964 4.159675 7.861170 0.000000 20 H 7.686781 6.427778 3.661528 7.138355 0.000000 21 H 1.763781 1.755426 6.938732 2.911789 7.386660 22 H 2.499346 3.454646 6.955519 3.097984 7.722083 23 N 7.348310 6.670610 1.327383 9.164952 4.574220 24 H 5.440454 4.887299 1.076291 7.271001 4.275015 25 C 8.641104 7.796807 2.400834 10.139654 4.530205 26 C 7.426163 7.050782 2.405753 9.775331 5.945653 27 H 9.352454 8.593546 3.281476 11.116094 5.594143 28 H 8.656016 7.623837 2.696230 10.051257 4.203543 29 H 9.077080 8.237974 2.722760 10.163455 4.180232 30 H 8.202546 7.789299 3.251484 10.727360 6.636726 31 H 7.841256 7.623294 2.918230 10.034739 6.302641 32 H 6.530588 6.280678 2.566554 9.227544 6.224738 21 22 23 24 25 21 H 0.000000 22 H 2.423236 0.000000 23 N 8.091529 8.090639 0.000000 24 H 6.169367 6.053237 2.037475 0.000000 25 C 9.245958 9.354990 1.454611 3.358211 0.000000 26 C 8.445507 8.255372 1.450553 2.535890 2.518446 27 H 10.084209 10.162204 2.073166 4.109483 1.081012 28 H 9.137644 9.513800 2.086963 3.698060 1.081026 29 H 9.569836 9.520704 2.099832 3.714062 1.082749 30 H 9.268579 9.209086 2.076507 3.503053 2.643404 31 H 8.879415 8.395484 2.112750 2.968955 3.012934 32 H 7.673114 7.517389 2.081866 2.272165 3.377518 26 27 28 29 30 26 C 0.000000 27 H 2.550949 0.000000 28 H 3.280189 1.765785 0.000000 29 H 3.173324 1.765146 1.755211 0.000000 30 H 1.081257 2.258224 3.322176 3.454615 0.000000 31 H 1.086289 2.982996 3.958334 3.357425 1.761935 32 H 1.082140 3.518727 3.956791 4.078765 1.751014 31 32 31 H 0.000000 32 H 1.764219 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.273542 -1.934663 0.003039 2 6 0 -1.770052 -2.492337 1.324174 3 8 0 -1.977468 -2.424478 -1.089740 4 7 0 3.358338 0.609608 0.072391 5 8 0 0.213132 3.865264 -0.023580 6 6 0 0.364210 2.680714 -0.000924 7 6 0 -0.594021 1.614912 0.001238 8 7 0 -1.969889 1.647883 -0.030540 9 6 0 -2.309718 0.422961 -0.006817 10 7 0 -1.263361 -0.460299 0.025850 11 6 0 -0.146331 0.323838 0.030955 12 7 0 1.125782 -0.127219 0.066087 13 6 0 2.006411 0.827922 0.066571 14 7 0 1.670068 2.136479 0.038035 15 1 0 -0.240687 -2.201925 -0.132219 16 1 0 -1.690904 -3.573147 1.302893 17 1 0 -1.163214 -2.110086 2.136183 18 6 0 3.758964 -0.599788 -0.066033 19 35 0 -4.088942 -0.143355 -0.071752 20 1 0 2.411895 2.803289 0.040077 21 1 0 -2.800833 -2.218637 1.513332 22 1 0 -2.779267 -2.847457 -0.826795 23 7 0 5.041210 -0.939311 -0.015898 24 1 0 3.068950 -1.413710 -0.206795 25 6 0 6.045357 0.099863 0.150528 26 6 0 5.442409 -2.299215 -0.322172 27 1 0 7.021969 -0.362125 0.187738 28 1 0 5.866509 0.640820 1.069221 29 1 0 6.012538 0.802765 -0.672392 30 1 0 6.367754 -2.523507 0.190220 31 1 0 5.587996 -2.449908 -1.388062 32 1 0 4.687805 -2.990457 0.029659 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5641035 0.1460332 0.1190140 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1842.2290310399 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.35D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999998 0.001784 -0.000932 -0.000388 Ang= 0.23 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.57595369 A.U. after 15 cycles NFock= 15 Conv=0.50D-08 -V/T= 2.0037 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 -0.004230012 0.001167449 0.000680420 2 6 0.000954012 0.000560002 0.002069774 3 8 0.002333350 0.006951160 -0.003984948 4 7 -0.001877494 0.004645985 -0.001386650 5 8 0.000667560 -0.000282609 -0.000202743 6 6 0.002270158 0.006079676 -0.000333247 7 6 0.001395162 -0.002005447 0.000839843 8 7 0.001019188 -0.000365921 0.002329753 9 6 -0.004532393 -0.000749684 -0.004935169 10 7 0.008877928 -0.006223450 0.001005372 11 6 -0.001351918 -0.002759874 -0.000207660 12 7 -0.001995110 0.002285751 0.000420739 13 6 0.006176692 -0.006275014 -0.001530365 14 7 -0.006741962 -0.002113468 0.000640923 15 1 -0.000153085 0.001356672 -0.001359098 16 1 0.000695180 0.000009411 0.001641509 17 1 0.000932452 -0.000486007 0.000545678 18 6 0.000889760 0.001034909 0.004229592 19 35 -0.001353597 -0.000719190 0.000906316 20 1 0.001152052 0.000483676 -0.000182333 21 1 0.000279476 0.000010559 -0.000615256 22 1 -0.004944078 -0.000849952 0.002217231 23 7 -0.002485841 -0.000798380 -0.000782986 24 1 0.000399791 -0.001501879 -0.000613817 25 6 0.000813323 -0.000437404 -0.000681681 26 6 0.000330649 0.000205847 -0.000091432 27 1 -0.000702465 0.000007770 0.000145491 28 1 -0.000089326 0.000452745 -0.000328511 29 1 0.000182147 0.000473621 -0.000213230 30 1 0.000094990 -0.000636970 0.000352373 31 1 0.000448318 0.000870629 0.000193432 32 1 0.000545091 -0.000390618 -0.000769320 ------------------------------------------------------------------- Cartesian Forces: Max 0.008877928 RMS 0.002436326 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.007270792 RMS 0.001640007 Search for a local minimum. Step number 16 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 13 14 15 16 DE= -3.16D-03 DEPred=-2.41D-03 R= 1.31D+00 TightC=F SS= 1.41D+00 RLast= 1.03D+00 DXNew= 2.6534D-01 3.0799D+00 Trust test= 1.31D+00 RLast= 1.03D+00 DXMaxT set to 2.65D-01 ITU= 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- -0.40585 -0.00012 0.00304 0.00691 0.00923 Eigenvalues --- 0.01267 0.01312 0.01435 0.01655 0.01695 Eigenvalues --- 0.01797 0.01882 0.01958 0.02079 0.02240 Eigenvalues --- 0.02295 0.02444 0.02577 0.02661 0.03352 Eigenvalues --- 0.04555 0.05237 0.05521 0.05785 0.06174 Eigenvalues --- 0.07510 0.07672 0.07727 0.07821 0.08422 Eigenvalues --- 0.12523 0.15329 0.15762 0.15974 0.15995 Eigenvalues --- 0.16000 0.16001 0.16005 0.16044 0.16047 Eigenvalues --- 0.16143 0.16513 0.17243 0.18747 0.20576 Eigenvalues --- 0.21980 0.22637 0.23172 0.24077 0.24701 Eigenvalues --- 0.24716 0.24917 0.24965 0.25089 0.25291 Eigenvalues --- 0.27528 0.28886 0.31111 0.31401 0.33491 Eigenvalues --- 0.33668 0.33714 0.33736 0.33761 0.33768 Eigenvalues --- 0.33778 0.33814 0.33983 0.34391 0.35234 Eigenvalues --- 0.38151 0.39298 0.39797 0.40739 0.41158 Eigenvalues --- 0.41659 0.43181 0.44140 0.46093 0.46200 Eigenvalues --- 0.47807 0.48661 0.50465 0.51111 0.52114 Eigenvalues --- 0.59491 0.66473 0.69176 0.77202 0.87144 RFO step: Lambda=-4.06057224D-01 EMin=-4.05854798D-01 I= 1 Eig= -4.06D-01 Dot1= 5.44D-03 I= 1 Stepn= 6.00D-01 RXN= 6.00D-01 EDone=F I= 2 Eig= -1.17D-04 Dot1= -9.05D-04 I= 2 Stepn= -3.00D-01 RXN= 6.71D-01 EDone=F Mixed 2 eigenvectors in step. Raw Step.Grad= 6.34D-03. RFO eigenvector is Hessian eigenvector with negative curvature. Taking step of 6.00D-01 in eigenvector direction(s). Step.Grad= -1.38D-03. Skip linear search -- no minimum in search direction. Maximum step size ( 0.265) exceeded in Quadratic search. -- Step size not scaled. Iteration 1 RMS(Cart)= 0.17276856 RMS(Int)= 0.00620016 Iteration 2 RMS(Cart)= 0.01578230 RMS(Int)= 0.00100074 Iteration 3 RMS(Cart)= 0.00009427 RMS(Int)= 0.00099909 Iteration 4 RMS(Cart)= 0.00000008 RMS(Int)= 0.00099909 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86773 0.00359 0.00000 0.02742 0.02742 2.89515 R2 2.62502 -0.00471 0.00000 -0.03633 -0.03633 2.58869 R3 2.78654 -0.00727 0.00000 -0.16519 -0.16519 2.62136 R4 2.03224 0.00105 0.00000 -0.01164 -0.01164 2.02060 R5 2.04830 0.00106 0.00000 -0.01835 -0.01835 2.02995 R6 2.04730 -0.00027 0.00000 0.00177 0.00177 2.04907 R7 2.04685 -0.00041 0.00000 -0.03989 -0.03989 2.00695 R8 1.78370 0.00272 0.00000 -0.03273 -0.03273 1.75097 R9 2.58789 0.00180 0.00000 -0.01443 -0.01443 2.57346 R10 2.42173 0.00077 0.00000 -0.01258 -0.01258 2.40915 R11 2.25701 -0.00063 0.00000 -0.00193 -0.00193 2.25509 R12 2.70841 0.00296 0.00000 -0.05052 -0.05053 2.65788 R13 2.67446 -0.00475 0.00000 -0.09505 -0.09480 2.57966 R14 2.60145 0.00011 0.00000 0.02646 0.02662 2.62808 R15 2.58291 -0.00066 0.00000 -0.08685 -0.08695 2.49596 R16 2.40261 -0.00151 0.00000 -0.07161 -0.07166 2.33095 R17 2.58836 0.00535 0.00000 0.04564 0.04542 2.63378 R18 3.53059 0.00130 0.00000 -0.01307 -0.01307 3.51752 R19 2.57908 -0.00068 0.00000 -0.04388 -0.04391 2.53517 R20 2.55145 0.00152 0.00000 -0.00684 -0.00709 2.54436 R21 2.45505 -0.00119 0.00000 -0.06780 -0.06779 2.38725 R22 2.55376 0.00190 0.00000 -0.05685 -0.05663 2.49713 R23 1.88495 0.00036 0.00000 -0.00478 -0.00478 1.88017 R24 2.50839 -0.00057 0.00000 -0.07455 -0.07455 2.43384 R25 2.03390 0.00133 0.00000 0.00368 0.00368 2.03757 R26 2.74882 0.00073 0.00000 -0.04540 -0.04540 2.70342 R27 2.74115 0.00132 0.00000 -0.04092 -0.04092 2.70023 R28 2.04282 -0.00060 0.00000 -0.01477 -0.01477 2.02804 R29 2.04284 0.00003 0.00000 -0.00986 -0.00986 2.03299 R30 2.04610 0.00011 0.00000 -0.01306 -0.01306 2.03304 R31 2.04328 -0.00032 0.00000 -0.01671 -0.01671 2.02657 R32 2.05279 -0.00031 0.00000 -0.01243 -0.01243 2.04036 R33 2.04495 -0.00018 0.00000 -0.00109 -0.00109 2.04386 A1 1.97087 0.00258 0.00000 -0.03977 -0.04150 1.92937 A2 1.93502 0.00449 0.00000 0.10898 0.10922 2.04424 A3 1.90964 -0.00153 0.00000 -0.03679 -0.03806 1.87159 A4 1.94790 -0.00656 0.00000 -0.00922 -0.00916 1.93874 A5 1.87562 0.00079 0.00000 -0.01576 -0.01750 1.85811 A6 1.81708 -0.00006 0.00000 -0.01053 -0.00981 1.80727 A7 1.90228 0.00184 0.00000 -0.06297 -0.06255 1.83973 A8 1.91727 0.00088 0.00000 0.00830 0.00783 1.92510 A9 1.95039 -0.00112 0.00000 0.05353 0.05360 2.00398 A10 1.90248 -0.00146 0.00000 0.01896 0.01877 1.92125 A11 1.90169 -0.00039 0.00000 -0.00164 -0.00073 1.90096 A12 1.88915 0.00019 0.00000 -0.01601 -0.01668 1.87247 A13 1.94908 -0.00373 0.00000 -0.05839 -0.05839 1.89069 A14 2.04722 0.00053 0.00000 0.07565 0.07565 2.12287 A15 2.28232 0.00013 0.00000 -0.04937 -0.04989 2.23243 A16 2.09281 -0.00012 0.00000 0.04746 0.04676 2.13957 A17 1.90805 -0.00001 0.00000 0.00218 0.00204 1.91008 A18 2.27886 -0.00004 0.00000 -0.01698 -0.01692 2.26195 A19 2.07541 -0.00013 0.00000 0.03006 0.02994 2.10535 A20 1.92889 0.00017 0.00000 -0.01301 -0.01301 1.91588 A21 1.81690 0.00088 0.00000 0.01631 0.01602 1.83293 A22 2.00153 -0.00094 0.00000 -0.02188 -0.02252 1.97901 A23 2.14829 -0.00109 0.00000 0.03243 0.03251 2.18080 A24 2.13278 0.00209 0.00000 -0.00950 -0.00941 2.12337 A25 2.26415 0.00356 0.00000 -0.03070 -0.03047 2.23368 A26 2.18974 -0.00247 0.00000 0.04005 0.04012 2.22986 A27 1.82848 -0.00109 0.00000 -0.01029 -0.01084 1.81764 A28 1.84892 0.00099 0.00000 0.02916 0.02903 1.87794 A29 2.24559 -0.00096 0.00000 -0.04741 -0.04769 2.19790 A30 2.18867 -0.00004 0.00000 0.01811 0.01816 2.20682 A31 1.97475 0.00056 0.00000 0.01411 0.01417 1.98892 A32 2.15552 0.00490 0.00000 0.07909 0.07557 2.23109 A33 1.98248 -0.00432 0.00000 -0.08468 -0.08723 1.89525 A34 2.14502 -0.00054 0.00000 0.00790 0.00567 2.15069 A35 2.21753 0.00108 0.00000 -0.00683 -0.00632 2.21121 A36 2.01441 0.00059 0.00000 0.01103 0.01077 2.02518 A37 2.05124 -0.00167 0.00000 -0.00418 -0.00444 2.04679 A38 2.14040 -0.00180 0.00000 0.03724 0.03566 2.17605 A39 2.12630 0.00086 0.00000 0.00347 0.00184 2.12814 A40 2.01619 0.00097 0.00000 -0.03831 -0.03987 1.97632 A41 2.08109 0.00032 0.00000 0.03092 0.03086 2.11195 A42 2.09324 0.00107 0.00000 0.01744 0.01741 2.11065 A43 2.09784 -0.00141 0.00000 -0.05038 -0.05037 2.04747 A44 1.89893 0.00020 0.00000 0.00096 0.00095 1.89988 A45 1.91826 0.00067 0.00000 0.01342 0.01341 1.93168 A46 1.93467 0.00048 0.00000 -0.00096 -0.00096 1.93371 A47 1.91142 -0.00049 0.00000 -0.00340 -0.00343 1.90799 A48 1.90814 -0.00043 0.00000 0.00257 0.00257 1.91071 A49 1.89233 -0.00045 0.00000 -0.01268 -0.01267 1.87967 A50 1.90828 0.00036 0.00000 0.00369 0.00354 1.91182 A51 1.95444 0.00011 0.00000 -0.02286 -0.02282 1.93162 A52 1.91488 0.00096 0.00000 0.02527 0.02520 1.94008 A53 1.89812 -0.00052 0.00000 0.00350 0.00346 1.90159 A54 1.88620 -0.00048 0.00000 0.00794 0.00768 1.89388 A55 1.90061 -0.00047 0.00000 -0.01676 -0.01665 1.88396 D1 1.01863 0.00160 0.00000 -0.04634 -0.04595 0.97268 D2 3.10199 0.00147 0.00000 -0.05653 -0.05595 3.04603 D3 -1.08413 0.00157 0.00000 -0.03634 -0.03524 -1.11937 D4 -3.06382 -0.00156 0.00000 -0.00237 -0.00253 -3.06635 D5 -0.98047 -0.00170 0.00000 -0.01256 -0.01253 -0.99300 D6 1.11660 -0.00159 0.00000 0.00763 0.00818 1.12478 D7 -1.06947 -0.00001 0.00000 0.02454 0.02341 -1.04605 D8 1.01388 -0.00015 0.00000 0.01436 0.01341 1.02730 D9 3.11095 -0.00004 0.00000 0.03455 0.03413 -3.13811 D10 0.25155 0.00322 0.00000 0.23542 0.23474 0.48629 D11 -1.94226 0.00043 0.00000 0.12789 0.12847 -1.81379 D12 2.35915 0.00344 0.00000 0.15418 0.15428 2.51343 D13 -1.25986 -0.00052 0.00000 -0.02288 -0.02302 -1.28288 D14 1.93205 -0.00034 0.00000 0.00612 0.00572 1.93777 D15 0.95360 0.00133 0.00000 0.00235 0.00318 0.95679 D16 -2.13768 0.00150 0.00000 0.03134 0.03193 -2.10575 D17 2.97156 -0.00085 0.00000 -0.02636 -0.02668 2.94489 D18 -0.11972 -0.00068 0.00000 0.00264 0.00207 -0.11765 D19 0.12643 0.00074 0.00000 0.07417 0.07464 0.20107 D20 -2.99634 -0.00088 0.00000 -0.06090 -0.06137 -3.05771 D21 -3.08756 -0.00082 0.00000 -0.07285 -0.07350 3.12212 D22 0.02659 0.00065 0.00000 0.03712 0.03777 0.06436 D23 0.00794 -0.00030 0.00000 -0.03181 -0.03051 -0.02257 D24 -3.14133 0.00001 0.00000 -0.01939 -0.01803 3.12382 D25 -3.13961 0.00005 0.00000 0.02448 0.02539 -3.11422 D26 -0.00570 0.00036 0.00000 0.03690 0.03787 0.03217 D27 -3.14122 0.00020 0.00000 0.03358 0.03549 -3.10573 D28 -0.00477 0.00025 0.00000 0.03762 0.03851 0.03374 D29 0.00558 -0.00010 0.00000 -0.01524 -0.01648 -0.01090 D30 -3.14116 -0.00006 0.00000 -0.01120 -0.01346 3.12857 D31 -3.13830 -0.00013 0.00000 0.00491 0.00360 -3.13470 D32 0.01047 -0.00042 0.00000 -0.00685 -0.00796 0.00250 D33 3.14141 -0.00049 0.00000 -0.03626 -0.03661 3.10479 D34 0.00565 -0.00007 0.00000 -0.00958 -0.00949 -0.00384 D35 -0.00642 -0.00024 0.00000 -0.02625 -0.02646 -0.03287 D36 3.14101 0.00018 0.00000 0.00043 0.00067 -3.14150 D37 -0.01082 0.00098 0.00000 0.03960 0.03965 0.02883 D38 -3.11641 -0.00092 0.00000 0.00740 0.00677 -3.10964 D39 -3.09206 -0.00094 0.00000 -0.03335 -0.03398 -3.12604 D40 0.00716 -0.00115 0.00000 -0.05644 -0.05604 -0.04888 D41 0.01389 0.00087 0.00000 -0.00050 -0.00134 0.01255 D42 3.11311 0.00066 0.00000 -0.02359 -0.02340 3.08971 D43 3.10158 0.00076 0.00000 0.02263 0.02253 3.12411 D44 -0.04560 0.00035 0.00000 -0.00322 -0.00506 -0.05066 D45 -0.00000 0.00077 0.00000 0.04659 0.04675 0.04675 D46 3.13600 0.00036 0.00000 0.02075 0.01917 -3.12801 D47 -0.00369 -0.00053 0.00000 -0.04495 -0.04551 -0.04920 D48 -3.13841 -0.00004 0.00000 -0.01344 -0.01333 3.13145 D49 -3.11830 -0.00095 0.00000 -0.07884 -0.08491 3.07997 D50 0.00275 0.00079 0.00000 0.06773 0.06850 0.07125 D51 3.11845 0.00114 0.00000 0.09326 0.08866 -3.07607 D52 -0.01790 0.00109 0.00000 0.08911 0.08557 0.06767 D53 -0.00445 -0.00054 0.00000 -0.04176 -0.04065 -0.04510 D54 -3.14080 -0.00059 0.00000 -0.04592 -0.04374 3.09864 D55 -0.04289 0.00068 0.00000 0.05476 0.05418 0.01129 D56 -3.02594 0.00092 0.00000 0.07384 0.07361 -2.95234 D57 3.12454 -0.00069 0.00000 -0.04931 -0.04907 3.07547 D58 0.14148 -0.00046 0.00000 -0.03022 -0.02964 0.11184 D59 3.12330 -0.00018 0.00000 -0.00927 -0.00927 3.11403 D60 1.03050 -0.00010 0.00000 -0.01378 -0.01381 1.01668 D61 -1.06111 -0.00028 0.00000 -0.00607 -0.00608 -1.06719 D62 -0.17725 -0.00019 0.00000 -0.02209 -0.02206 -0.19931 D63 -2.27006 -0.00011 0.00000 -0.02660 -0.02659 -2.29665 D64 1.92152 -0.00029 0.00000 -0.01889 -0.01887 1.90266 D65 -2.68082 0.00046 0.00000 0.04420 0.04421 -2.63661 D66 1.49745 0.00080 0.00000 0.05207 0.05211 1.54955 D67 -0.61510 0.00066 0.00000 0.07103 0.07128 -0.54383 D68 0.62085 0.00053 0.00000 0.05594 0.05575 0.67659 D69 -1.48407 0.00087 0.00000 0.06381 0.06364 -1.42043 D70 2.68656 0.00074 0.00000 0.08277 0.08282 2.76937 Item Value Threshold Converged? Maximum Force 0.007271 0.000450 NO RMS Force 0.001640 0.000300 NO Maximum Displacement 0.782919 0.001800 NO RMS Displacement 0.168002 0.001200 NO Predicted change in Energy=-6.401580D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.018712 -4.901398 2.254852 2 6 0 7.075024 -5.141451 3.766928 3 8 0 7.125805 -6.086219 1.575667 4 7 0 7.748798 0.006716 0.377502 5 8 0 3.449524 -0.887062 -0.017328 6 6 0 4.500685 -1.314023 0.352570 7 6 0 4.774884 -2.580533 0.899369 8 7 0 3.910019 -3.635552 1.169626 9 6 0 4.624282 -4.519668 1.648852 10 7 0 5.960699 -4.144273 1.773614 11 6 0 6.005816 -2.912140 1.244864 12 7 0 7.097355 -2.133186 1.123968 13 6 0 6.872552 -1.016226 0.578315 14 7 0 5.663708 -0.609359 0.232890 15 1 0 7.879550 -4.323478 1.993563 16 1 0 7.993405 -5.671849 3.937710 17 1 0 7.086896 -4.196013 4.297742 18 6 0 9.003375 -0.144787 0.545928 19 35 0 4.030838 -6.206326 2.166333 20 1 0 5.583658 0.302509 -0.156982 21 1 0 6.269637 -5.712764 4.157912 22 1 0 6.793055 -6.762280 2.114883 23 7 0 9.884859 0.774286 0.353414 24 1 0 9.433701 -1.100925 0.797352 25 6 0 9.501311 2.086709 -0.067322 26 6 0 11.279501 0.463495 0.341805 27 1 0 10.380199 2.698261 -0.140176 28 1 0 8.818584 2.527288 0.637761 29 1 0 9.007896 2.052535 -1.022731 30 1 0 11.839832 1.316593 0.670933 31 1 0 11.601874 0.194713 -0.652987 32 1 0 11.499969 -0.366593 0.999171 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.532048 0.000000 3 O 1.369876 2.386794 0.000000 4 N 5.305380 6.200468 6.240800 0.000000 5 O 5.832392 6.750161 6.563833 4.408910 0.000000 6 C 4.777907 5.738838 5.582210 3.506453 1.193340 7 C 3.501216 4.480161 4.274815 3.976225 2.337681 8 N 3.527614 4.362450 4.063486 5.350682 3.029044 9 C 2.499250 3.298333 2.952466 5.645094 4.165577 10 N 1.387162 2.491863 2.273282 4.730448 4.485855 11 C 2.450139 3.531832 3.382098 3.508564 3.496956 12 N 2.991334 4.004421 3.978858 2.358129 4.020206 13 C 4.233994 5.217828 5.173363 1.361816 3.476866 14 N 4.934163 5.917862 5.825528 2.179005 2.245515 15 H 1.069254 2.112146 1.962148 4.623779 5.956322 16 H 2.091802 1.074203 2.550231 6.706790 7.693073 17 H 2.162318 1.084324 3.314224 5.785268 6.542129 18 C 5.429977 6.249802 6.315556 1.274867 5.631474 19 Br 3.261605 3.600408 3.153115 7.458220 5.779349 20 H 5.912442 6.874441 6.796774 2.249666 2.447266 21 H 2.200243 1.062034 2.745994 7.013692 6.976608 22 H 1.879733 2.331490 0.926571 7.053457 7.088280 23 N 6.636540 7.385336 7.494853 2.269913 6.656656 24 H 4.732872 5.541442 5.548452 2.059622 6.043163 25 C 7.771064 8.534321 8.668287 2.756001 6.743141 26 C 7.113097 7.799007 7.853303 3.560307 7.953712 27 H 8.648154 9.362196 9.523775 3.799562 7.804094 28 H 7.812803 8.464114 8.828231 2.750537 6.396384 29 H 7.940818 8.856086 8.748329 2.780532 6.367698 30 H 8.025921 8.602029 8.822824 4.305629 8.702130 31 H 7.445216 8.276633 8.028213 3.992924 8.248340 32 H 6.497911 7.073887 7.223557 3.820617 8.131041 6 7 8 9 10 6 C 0.000000 7 C 1.406492 0.000000 8 N 2.531000 1.390718 0.000000 9 C 3.460026 2.084383 1.233487 0.000000 10 N 3.487308 2.148429 2.197473 1.393735 0.000000 11 C 2.369722 1.320805 2.218412 2.157774 1.341553 12 N 2.829979 2.375803 3.523961 3.476620 2.399687 13 C 2.401125 2.636351 3.998390 4.298241 3.470576 14 N 1.365100 2.262681 3.620875 4.286708 3.867512 15 H 4.813149 3.724792 4.112091 3.279343 1.939712 16 H 6.636488 5.398762 5.336932 4.232893 3.338966 17 H 5.527995 4.416346 4.493526 3.631231 2.764456 18 C 4.656041 4.892639 6.206184 6.287486 5.173102 19 Br 5.238809 3.912184 2.759874 1.861392 2.851430 20 H 2.011381 3.175204 4.479875 5.237827 4.862431 21 H 6.079370 4.760595 4.337334 3.228941 2.870624 22 H 6.167998 4.799740 4.356815 3.154373 2.768256 23 N 5.774978 6.137160 7.470716 7.574813 6.450444 24 H 4.957610 4.889195 6.088841 5.961826 4.719831 25 C 6.061976 6.712433 8.095484 8.388974 7.399333 26 C 7.007998 7.203265 8.473296 8.416188 7.181314 27 H 7.135118 7.769548 9.148551 9.403706 8.367487 28 H 5.786299 6.519952 7.896675 8.262811 7.346250 29 H 5.791384 6.563397 7.946642 8.339501 7.450194 30 H 7.802857 8.071757 9.362391 9.331796 8.099455 31 H 7.329005 7.531241 8.783933 8.729870 7.519179 32 H 7.092650 7.080837 8.265742 8.058857 6.749381 11 12 13 14 15 11 C 0.000000 12 N 1.346418 0.000000 13 C 2.188609 1.263280 0.000000 14 N 2.538489 2.274075 1.321425 0.000000 15 H 2.462378 2.483023 3.735625 4.669540 0.000000 16 H 4.337963 4.608924 5.849503 6.691935 2.368707 17 H 3.483838 3.785261 4.898074 5.604692 2.440038 18 C 4.139095 2.814387 2.302360 3.386326 4.562903 19 Br 3.949850 5.203895 6.126523 6.142516 4.288071 20 H 3.532330 3.140816 1.985188 0.994943 5.594258 21 H 4.049561 4.764799 5.935865 6.466660 3.034195 22 H 4.024954 4.743735 5.948487 6.532668 2.672629 23 N 5.425071 4.100894 3.511482 4.443773 5.718265 24 H 3.902712 2.575025 2.571893 3.843580 3.772420 25 C 6.239295 5.000569 4.117696 4.699586 6.925883 26 C 6.326308 4.984463 4.654751 5.718393 6.099433 27 H 7.247769 5.976454 5.159188 5.772765 7.753122 28 H 6.153666 4.991898 4.043150 4.467182 7.046487 29 H 6.229163 5.077278 4.066981 4.454870 7.143161 30 H 7.228230 5.881947 5.488578 6.484264 7.017377 31 H 6.676094 5.372836 5.034775 6.057485 6.424482 32 H 6.060188 4.745464 4.691708 5.891355 5.454648 16 17 18 19 20 16 H 0.000000 17 H 1.769032 0.000000 18 C 6.562975 5.844778 0.000000 19 Br 4.373258 4.233646 8.005879 0.000000 20 H 7.633239 6.506995 3.519748 7.083360 0.000000 21 H 1.738258 1.728583 7.177891 3.036810 7.434540 22 H 2.439791 3.381855 7.151108 2.818080 7.518993 23 N 7.614292 6.934709 1.287933 9.288983 4.356996 24 H 5.729716 5.228746 1.078236 7.558450 4.207519 25 C 8.860547 8.022205 2.367191 10.182815 4.305742 26 C 7.833991 7.412043 2.364830 10.017911 5.719907 27 H 9.611695 8.835834 3.232538 11.177032 5.361596 28 H 8.876735 7.848374 2.680031 10.076461 4.005746 29 H 9.235870 8.428643 2.699804 10.156281 3.941766 30 H 8.620044 8.132218 3.193234 10.945818 6.391676 31 H 8.277203 8.010818 2.881814 10.307398 6.039583 32 H 7.005480 6.709712 2.547078 9.552626 6.065239 21 22 23 24 25 21 H 0.000000 22 H 2.355720 0.000000 23 N 8.344211 8.334378 0.000000 24 H 6.524854 6.384344 1.979152 0.000000 25 C 9.440768 9.507959 1.430588 3.303520 0.000000 26 C 8.820861 8.688143 1.428899 2.462095 2.442165 27 H 10.301244 10.366037 2.047113 4.025994 1.073195 28 H 9.315956 9.621888 2.071427 3.683445 1.075811 29 H 9.728155 9.615150 2.072863 3.665832 1.075840 30 H 9.622783 9.634477 2.053492 3.413186 2.570365 31 H 9.299235 8.898629 2.072893 2.912582 2.887043 32 H 8.118840 8.019019 2.080189 2.202143 3.339271 26 27 28 29 30 26 C 0.000000 27 H 2.456670 0.000000 28 H 3.225359 1.753014 0.000000 29 H 3.089854 1.754730 1.737372 0.000000 30 H 1.072414 2.167356 3.254969 3.380823 0.000000 31 H 1.079712 2.832528 3.854042 3.211999 1.751571 32 H 1.081565 3.456201 3.961690 4.018793 1.748246 31 32 31 H 0.000000 32 H 1.747877 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.419879 -1.873762 0.022531 2 6 0 -1.933143 -2.544601 1.300696 3 8 0 -2.139908 -2.295142 -1.064004 4 7 0 3.322855 0.503588 0.064233 5 8 0 0.289068 3.702626 0.036340 6 6 0 0.454871 2.520907 0.046791 7 6 0 -0.523453 1.510752 0.020566 8 7 0 -1.909763 1.619603 0.000761 9 6 0 -2.321553 0.456936 -0.010377 10 7 0 -1.301620 -0.491728 0.037259 11 6 0 -0.175223 0.236684 0.016947 12 7 0 1.084620 -0.238077 0.032451 13 6 0 1.971866 0.660408 -0.004890 14 7 0 1.695718 1.952335 0.023970 15 1 0 -0.416258 -2.209437 -0.130349 16 1 0 -1.877337 -3.600458 1.111056 17 1 0 -1.301245 -2.283621 2.142333 18 6 0 3.868718 -0.644140 -0.035972 19 35 0 -4.114072 -0.038748 -0.087534 20 1 0 2.465204 2.583039 0.027983 21 1 0 -2.930756 -2.294626 1.565643 22 1 0 -2.989561 -2.528882 -0.777664 23 7 0 5.138343 -0.857451 0.000386 24 1 0 3.293567 -1.533562 -0.237772 25 6 0 6.062022 0.220756 0.176075 26 6 0 5.678879 -2.133894 -0.346410 27 1 0 7.058274 -0.177233 0.204929 28 1 0 5.862121 0.746598 1.093081 29 1 0 5.981499 0.927938 -0.630673 30 1 0 6.593268 -2.294069 0.190533 31 1 0 5.880302 -2.187484 -1.405813 32 1 0 4.990477 -2.930071 -0.097437 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6156707 0.1417918 0.1181348 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1857.9666769203 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 5.59D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999969 -0.006942 0.000704 0.003712 Ang= -0.91 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.55164508 A.U. after 14 cycles NFock= 14 Conv=0.69D-08 -V/T= 2.0033 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 0.042712083 -0.009495143 0.019895343 2 6 0.005439647 0.018551004 -0.008651375 3 8 0.012798867 -0.003281082 -0.019747203 4 7 0.010679519 0.016378985 -0.005066083 5 8 -0.008571787 0.012862330 -0.002553047 6 6 -0.021685091 -0.007112311 -0.011551694 7 6 -0.047738227 -0.022256713 0.002445856 8 7 -0.032033649 0.035148399 -0.022421830 9 6 0.036099658 -0.017650423 0.018618767 10 7 -0.048166241 -0.007674185 -0.002492835 11 6 0.036838103 0.009441798 0.007475549 12 7 0.029877293 -0.034029069 0.013116033 13 6 0.016820627 0.033801619 0.009151119 14 7 -0.028529166 0.022534847 -0.017662109 15 1 0.008591767 0.003717514 0.001075875 16 1 0.006366580 -0.001930665 0.006747957 17 1 0.002706338 -0.000347544 0.000273707 18 6 -0.018980029 -0.050981758 0.001460732 19 35 -0.005186912 -0.003495412 0.002789830 20 1 0.000946150 0.002178311 -0.000603938 21 1 -0.014590319 -0.009862745 0.000957099 22 1 -0.010084347 -0.021930783 0.007755452 23 7 0.020172624 0.028352767 0.002338130 24 1 -0.003495095 -0.003789214 0.004545519 25 6 -0.008871841 0.010587738 -0.003831667 26 6 0.011709561 -0.010431862 0.000066256 27 1 0.002751718 0.004016143 -0.000793401 28 1 -0.002668349 0.001996708 0.003321336 29 1 -0.001929738 0.000903836 -0.005996879 30 1 0.004608079 0.003425150 0.002874908 31 1 0.004266338 0.000297297 -0.004515259 32 1 -0.000854160 0.000074464 0.000977853 ------------------------------------------------------------------- Cartesian Forces: Max 0.050981758 RMS 0.016902827 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.057438960 RMS 0.012744913 Search for a local minimum. Step number 17 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 13 14 17 16 ITU= 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- -0.00021 0.00304 0.00782 0.01013 0.01267 Eigenvalues --- 0.01290 0.01455 0.01664 0.01685 0.01800 Eigenvalues --- 0.01879 0.02021 0.02107 0.02254 0.02334 Eigenvalues --- 0.02443 0.02576 0.02666 0.03352 0.04479 Eigenvalues --- 0.05156 0.05239 0.05792 0.06010 0.06433 Eigenvalues --- 0.07593 0.07651 0.07679 0.07760 0.08881 Eigenvalues --- 0.15356 0.15764 0.15812 0.15982 0.15995 Eigenvalues --- 0.15999 0.16002 0.16005 0.16048 0.16140 Eigenvalues --- 0.16165 0.16539 0.18785 0.19753 0.21407 Eigenvalues --- 0.22073 0.23048 0.23525 0.24109 0.24650 Eigenvalues --- 0.24812 0.24872 0.25004 0.25089 0.25361 Eigenvalues --- 0.27907 0.29293 0.31518 0.32264 0.33664 Eigenvalues --- 0.33715 0.33738 0.33744 0.33762 0.33776 Eigenvalues --- 0.33819 0.33917 0.34137 0.34539 0.37172 Eigenvalues --- 0.38329 0.39479 0.40715 0.41084 0.41541 Eigenvalues --- 0.42826 0.43657 0.44787 0.46122 0.47737 Eigenvalues --- 0.48527 0.48661 0.50448 0.51905 0.55657 Eigenvalues --- 0.60813 0.68992 0.71312 0.77232 0.87597 RFO step: Lambda=-4.97677697D-03 EMin=-2.08155053D-04 Quartic linear search produced a step of -0.89969. Iteration 1 RMS(Cart)= 0.14193881 RMS(Int)= 0.01950377 Iteration 2 RMS(Cart)= 0.02178154 RMS(Int)= 0.00121769 Iteration 3 RMS(Cart)= 0.00117157 RMS(Int)= 0.00042093 Iteration 4 RMS(Cart)= 0.00000359 RMS(Int)= 0.00042092 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00042092 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89515 -0.00167 -0.02467 0.00569 -0.01898 2.87617 R2 2.58869 0.02796 0.03268 -0.02049 0.01219 2.60088 R3 2.62136 0.05744 0.14862 0.02216 0.17078 2.79214 R4 2.02060 0.00866 0.01047 -0.00005 0.01042 2.03102 R5 2.02995 0.00747 0.01651 0.00157 0.01808 2.04803 R6 2.04907 -0.00014 -0.00159 0.00026 -0.00133 2.04774 R7 2.00695 0.01672 0.03589 0.00423 0.04012 2.04707 R8 1.75097 0.02414 0.02945 0.01093 0.04038 1.79135 R9 2.57346 0.01249 0.01298 0.00399 0.01698 2.59044 R10 2.40915 0.00851 0.01132 0.00239 0.01370 2.42285 R11 2.25509 0.01294 0.00173 -0.00037 0.00136 2.25645 R12 2.65788 0.03211 0.04546 0.00813 0.05368 2.71156 R13 2.57966 0.03170 0.08529 0.00264 0.08784 2.66750 R14 2.62808 -0.00665 -0.02395 -0.00211 -0.02612 2.60195 R15 2.49596 0.05263 0.07822 0.00659 0.08498 2.58094 R16 2.33095 0.05109 0.06447 0.00378 0.06820 2.39915 R17 2.63378 0.00283 -0.04086 0.00015 -0.04069 2.59309 R18 3.51752 0.00560 0.01176 0.01281 0.02456 3.54208 R19 2.53517 0.02356 0.03951 0.00047 0.04005 2.57522 R20 2.54436 0.01223 0.00638 0.00264 0.00911 2.55347 R21 2.38725 0.04155 0.06099 0.00455 0.06544 2.45270 R22 2.49713 0.05234 0.05095 0.00712 0.05791 2.55505 R23 1.88017 0.00216 0.00430 0.00091 0.00521 1.88538 R24 2.43384 0.04879 0.06707 0.00776 0.07483 2.50867 R25 2.03757 0.00303 -0.00331 0.00067 -0.00264 2.03493 R26 2.70342 0.02108 0.04084 0.00281 0.04365 2.74707 R27 2.70023 0.02070 0.03682 -0.00078 0.03604 2.73627 R28 2.02804 0.00460 0.01329 0.00171 0.01500 2.04305 R29 2.03299 0.00469 0.00887 -0.00020 0.00867 2.04165 R30 2.03304 0.00618 0.01175 0.00209 0.01383 2.04688 R31 2.02657 0.00601 0.01504 0.00497 0.02001 2.04658 R32 2.04036 0.00536 0.01118 0.00057 0.01175 2.05211 R33 2.04386 0.00036 0.00098 -0.00158 -0.00061 2.04325 A1 1.92937 0.00773 0.03734 0.01318 0.05084 1.98021 A2 2.04424 -0.01543 -0.09827 -0.00827 -0.10605 1.93819 A3 1.87159 0.00041 0.03424 0.01467 0.04921 1.92079 A4 1.93874 0.00471 0.00824 0.00458 0.01347 1.95221 A5 1.85811 -0.00310 0.01575 -0.02737 -0.01197 1.84614 A6 1.80727 0.00616 0.00883 -0.00007 0.00937 1.81663 A7 1.83973 0.00881 0.05628 0.01619 0.07249 1.91222 A8 1.92510 0.00115 -0.00704 0.00392 -0.00345 1.92165 A9 2.00398 -0.00924 -0.04822 -0.01472 -0.06284 1.94114 A10 1.92125 -0.00451 -0.01689 -0.00049 -0.01779 1.90346 A11 1.90096 0.00003 0.00066 -0.00202 -0.00093 1.90003 A12 1.87247 0.00357 0.01500 -0.00253 0.01223 1.88471 A13 1.89069 0.01244 0.05253 -0.01357 0.03896 1.92965 A14 2.12287 -0.02412 -0.06806 -0.00346 -0.07152 2.05134 A15 2.23243 0.00837 0.04488 0.00623 0.05140 2.28383 A16 2.13957 -0.00930 -0.04207 -0.00562 -0.04740 2.09217 A17 1.91008 0.00109 -0.00183 -0.00138 -0.00302 1.90706 A18 2.26195 0.00327 0.01522 0.00315 0.01827 2.28022 A19 2.10535 -0.00221 -0.02693 -0.00301 -0.02979 2.07556 A20 1.91588 -0.00106 0.01170 -0.00013 0.01151 1.92739 A21 1.83293 -0.00336 -0.01441 -0.00142 -0.01589 1.81703 A22 1.97901 0.00824 0.02026 0.00292 0.02336 2.00237 A23 2.18080 -0.00975 -0.02925 -0.00444 -0.03358 2.14722 A24 2.12337 0.00151 0.00847 0.00156 0.01013 2.13350 A25 2.23368 0.01379 0.02741 0.01149 0.03846 2.27214 A26 2.22986 -0.00972 -0.03609 -0.00769 -0.04426 2.18560 A27 1.81764 -0.00397 0.00975 -0.00180 0.00774 1.82538 A28 1.87794 0.00031 -0.02612 0.00055 -0.02548 1.85247 A29 2.19790 0.00604 0.04291 0.00268 0.04566 2.24356 A30 2.20682 -0.00630 -0.01634 -0.00322 -0.01969 2.18713 A31 1.98892 -0.00019 -0.01275 0.00098 -0.01194 1.97698 A32 2.23109 -0.02383 -0.06799 0.00727 -0.05929 2.17180 A33 1.89525 0.02773 0.07848 -0.00583 0.07401 1.96926 A34 2.15069 -0.00314 -0.00510 -0.00465 -0.00885 2.14184 A35 2.21121 -0.00136 0.00569 0.00457 0.00996 2.22118 A36 2.02518 0.00176 -0.00969 0.00088 -0.00867 2.01651 A37 2.04679 -0.00040 0.00400 -0.00546 -0.00131 2.04548 A38 2.17605 -0.00946 -0.03208 -0.01074 -0.04216 2.13390 A39 2.12814 -0.00007 -0.00166 0.00030 -0.00070 2.12744 A40 1.97632 0.00991 0.03587 0.00898 0.04551 2.02183 A41 2.11195 -0.00751 -0.02776 0.00116 -0.02668 2.08527 A42 2.11065 -0.00077 -0.01566 0.01574 -0.00012 2.11053 A43 2.04747 0.00832 0.04532 -0.02475 0.02027 2.06774 A44 1.89988 0.00220 -0.00085 -0.00382 -0.00469 1.89519 A45 1.93168 -0.00068 -0.01207 -0.00063 -0.01271 1.91896 A46 1.93371 0.00113 0.00086 0.00384 0.00471 1.93842 A47 1.90799 -0.00102 0.00308 -0.00102 0.00202 1.91001 A48 1.91071 -0.00175 -0.00231 -0.00160 -0.00391 1.90680 A49 1.87967 0.00003 0.01140 0.00324 0.01465 1.89432 A50 1.91182 0.00191 -0.00318 0.00599 0.00282 1.91464 A51 1.93162 0.00383 0.02053 -0.00289 0.01763 1.94925 A52 1.94008 -0.00264 -0.02267 -0.00454 -0.02717 1.91291 A53 1.90159 -0.00230 -0.00312 -0.00004 -0.00320 1.89839 A54 1.89388 -0.00113 -0.00691 -0.00047 -0.00731 1.88657 A55 1.88396 0.00019 0.01498 0.00198 0.01697 1.90093 D1 0.97268 0.00021 0.04134 -0.03184 0.00963 0.98232 D2 3.04603 0.00051 0.05034 -0.02110 0.02964 3.07568 D3 -1.11937 -0.00052 0.03170 -0.03194 0.00030 -1.11907 D4 -3.06635 0.00062 0.00228 -0.02004 -0.01797 -3.08432 D5 -0.99300 0.00092 0.01128 -0.00930 0.00204 -0.99096 D6 1.12478 -0.00011 -0.00736 -0.02014 -0.02731 1.09747 D7 -1.04605 -0.00038 -0.02106 -0.01447 -0.03614 -1.08219 D8 1.02730 -0.00008 -0.01207 -0.00373 -0.01612 1.01117 D9 -3.13811 -0.00111 -0.03070 -0.01457 -0.04547 3.09961 D10 0.48629 -0.00267 -0.21119 0.47963 0.26911 0.75540 D11 -1.81379 0.00783 -0.11559 0.47582 0.36001 -1.45378 D12 2.51343 0.00003 -0.13880 0.48838 0.34913 2.86256 D13 -1.28288 0.00061 0.02071 -0.01349 0.00735 -1.27552 D14 1.93777 -0.00109 -0.00515 -0.05270 -0.05767 1.88010 D15 0.95679 0.00240 -0.00286 0.00243 -0.00050 0.95629 D16 -2.10575 0.00070 -0.02873 -0.03678 -0.06552 -2.17127 D17 2.94489 0.00412 0.02400 -0.02727 -0.00341 2.94148 D18 -0.11765 0.00241 -0.00186 -0.06648 -0.06843 -0.18608 D19 0.20107 -0.00400 -0.06716 0.02385 -0.04368 0.15740 D20 -3.05771 0.00372 0.05522 -0.00701 0.04857 -3.00914 D21 3.12212 0.00456 0.06613 -0.00021 0.06602 -3.09505 D22 0.06436 -0.00202 -0.03399 0.02222 -0.01186 0.05250 D23 -0.02257 0.00136 0.02745 -0.00997 0.01732 -0.00525 D24 3.12382 0.00110 0.01622 -0.00994 0.00590 3.12972 D25 -3.11422 -0.00193 -0.02285 0.00771 -0.01511 -3.12933 D26 0.03217 -0.00220 -0.03407 0.00773 -0.02653 0.00564 D27 -3.10573 -0.00262 -0.03193 0.01394 -0.01844 -3.12416 D28 0.03374 -0.00237 -0.03465 0.01169 -0.02313 0.01061 D29 -0.01090 0.00106 0.01482 -0.00221 0.01305 0.00215 D30 3.12857 0.00130 0.01211 -0.00447 0.00836 3.13693 D31 -3.13470 -0.00028 -0.00324 0.00645 0.00314 -3.13156 D32 0.00250 -0.00005 0.00716 0.00642 0.01371 0.01621 D33 3.10479 0.00214 0.03294 -0.00364 0.02935 3.13414 D34 -0.00384 0.00064 0.00853 -0.00398 0.00419 0.00035 D35 -0.03287 0.00192 0.02380 -0.00363 0.02006 -0.01281 D36 -3.14150 0.00041 -0.00060 -0.00397 -0.00510 3.13658 D37 0.02883 -0.00153 -0.03568 -0.00668 -0.04259 -0.01376 D38 -3.10964 -0.00180 -0.00610 -0.02537 -0.03163 -3.14127 D39 -3.12604 0.00181 0.03057 -0.02691 0.00257 -3.12347 D40 -0.04888 0.00277 0.05042 0.00467 0.05516 0.00628 D41 0.01255 0.00205 0.00121 -0.00893 -0.00839 0.00416 D42 3.08971 0.00301 0.02105 0.02265 0.04420 3.13391 D43 3.12411 -0.00063 -0.02027 0.03212 0.01076 3.13487 D44 -0.05066 0.00119 0.00456 0.03260 0.03647 -0.01420 D45 0.04675 -0.00276 -0.04206 -0.00032 -0.04240 0.00436 D46 -3.12801 -0.00095 -0.01724 0.00016 -0.01670 3.13847 D47 -0.04920 0.00246 0.04094 -0.00656 0.03497 -0.01423 D48 3.13145 0.00049 0.01200 -0.00706 0.00509 3.13654 D49 3.07997 0.00635 0.07640 -0.02267 0.05592 3.13589 D50 0.07125 -0.00395 -0.06163 0.01222 -0.04963 0.02162 D51 -3.07607 -0.00314 -0.07977 0.01964 -0.05856 -3.13463 D52 0.06767 -0.00339 -0.07699 0.02191 -0.05379 0.01388 D53 -0.04510 0.00232 0.03657 -0.00851 0.02761 -0.01749 D54 3.09864 0.00208 0.03935 -0.00624 0.03237 3.13102 D55 0.01129 -0.00284 -0.04874 -0.00241 -0.05067 -0.03937 D56 -2.95234 -0.00400 -0.06622 0.05284 -0.01376 -2.96610 D57 3.07547 0.00289 0.04415 -0.02341 0.02113 3.09660 D58 0.11184 0.00174 0.02667 0.03185 0.05803 0.16987 D59 3.11403 -0.00047 0.00834 -0.02866 -0.02033 3.09370 D60 1.01668 -0.00020 0.01243 -0.02458 -0.01221 1.00448 D61 -1.06719 -0.00052 0.00547 -0.03071 -0.02527 -1.09246 D62 -0.19931 -0.00018 0.01984 -0.07809 -0.05819 -0.25750 D63 -2.29665 0.00009 0.02393 -0.07401 -0.05007 -2.34672 D64 1.90266 -0.00023 0.01697 -0.08014 -0.06313 1.83953 D65 -2.63661 0.00153 -0.03977 0.18741 0.14737 -2.48924 D66 1.54955 0.00074 -0.04688 0.18542 0.13821 1.68776 D67 -0.54383 -0.00030 -0.06413 0.18784 0.12338 -0.42045 D68 0.67659 0.00194 -0.05015 0.23831 0.18851 0.86511 D69 -1.42043 0.00116 -0.05726 0.23633 0.17936 -1.24107 D70 2.76937 0.00011 -0.07451 0.23875 0.16453 2.93390 Item Value Threshold Converged? Maximum Force 0.057439 0.000450 NO RMS Force 0.012745 0.000300 NO Maximum Displacement 0.539057 0.001800 NO RMS Displacement 0.146301 0.001200 NO Predicted change in Energy=-5.746119D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.186032 -4.850602 2.219268 2 6 0 7.174621 -4.961988 3.737149 3 8 0 7.363360 -6.057885 1.582637 4 7 0 7.689109 0.077821 0.363833 5 8 0 3.300321 -0.894326 -0.047157 6 6 0 4.343875 -1.338175 0.326704 7 6 0 4.673112 -2.617738 0.886393 8 7 0 3.878159 -3.707854 1.161226 9 6 0 4.679976 -4.558629 1.656298 10 7 0 5.985319 -4.142006 1.730092 11 6 0 5.971153 -2.877365 1.222587 12 7 0 7.049252 -2.071614 1.102977 13 6 0 6.770371 -0.915715 0.582690 14 7 0 5.516186 -0.558403 0.225694 15 1 0 8.003765 -4.229775 1.901440 16 1 0 8.091045 -5.432826 4.073352 17 1 0 7.098911 -3.976940 4.182317 18 6 0 8.926882 -0.212561 0.529422 19 35 0 4.140281 -6.261632 2.223617 20 1 0 5.393931 0.354250 -0.158391 21 1 0 6.332243 -5.550002 4.080806 22 1 0 6.834379 -6.730339 1.990776 23 7 0 9.890830 0.690059 0.393701 24 1 0 9.248677 -1.208496 0.782688 25 6 0 9.549998 2.046540 -0.002534 26 6 0 11.283452 0.294100 0.372842 27 1 0 10.453544 2.640146 -0.011793 28 1 0 8.848345 2.470767 0.701008 29 1 0 9.101684 2.063095 -0.988424 30 1 0 11.880819 1.032587 0.893113 31 1 0 11.657071 0.194356 -0.641902 32 1 0 11.399297 -0.651850 0.883573 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522005 0.000000 3 O 1.376327 2.424568 0.000000 4 N 5.290093 6.086349 6.264064 0.000000 5 O 5.990622 6.773260 6.769553 4.513916 0.000000 6 C 4.898652 5.725057 5.741978 3.632769 1.194060 7 C 3.616214 4.458684 4.422307 4.078645 2.392952 8 N 3.656139 4.367482 4.224554 5.430517 3.116091 9 C 2.585053 3.273514 3.074694 5.676444 4.269933 10 N 1.477536 2.472870 2.364599 4.751474 4.573320 11 C 2.522492 3.480950 3.490499 3.524480 3.560623 12 N 2.997931 3.912652 4.027294 2.361318 4.094300 13 C 4.281880 5.146489 5.271948 1.370800 3.526813 14 N 5.018535 5.871310 5.957990 2.268360 2.257731 15 H 1.074769 2.143232 1.963095 4.584608 6.086430 16 H 2.143750 1.083768 2.669060 6.655022 7.779950 17 H 2.150450 1.083618 3.340449 5.600914 6.466857 18 C 5.234268 5.993079 6.141798 1.282117 5.696967 19 Br 3.356728 3.631400 3.292507 7.499443 5.888117 20 H 5.996280 6.827040 6.930029 2.370015 2.440188 21 H 2.164126 1.083264 2.749908 6.879635 6.921557 22 H 1.925949 2.508515 0.947941 7.051848 7.120519 23 N 6.430206 7.106481 7.303179 2.285455 6.792602 24 H 4.425292 5.207615 5.264116 2.064535 6.014174 25 C 7.622028 8.291388 8.542591 2.733676 6.907181 26 C 6.831259 7.471781 7.561643 3.600856 8.082026 27 H 8.471456 9.088363 9.367347 3.787968 7.978868 28 H 7.659689 8.201546 8.701744 2.680243 6.531781 29 H 7.858639 8.683110 8.693816 2.786625 6.579371 30 H 7.642750 8.134603 8.435501 4.331530 8.844322 31 H 7.323119 8.115191 7.904116 4.095095 8.448326 32 H 6.096327 6.675932 6.782529 3.816811 8.155885 6 7 8 9 10 6 C 0.000000 7 C 1.434897 0.000000 8 N 2.555131 1.376894 0.000000 9 C 3.500301 2.088028 1.269577 0.000000 10 N 3.539111 2.181079 2.225359 1.372203 0.000000 11 C 2.412415 1.365775 2.252576 2.163768 1.362747 12 N 2.908538 2.447693 3.568824 3.479207 2.410758 13 C 2.476264 2.718016 4.061482 4.335114 3.513089 14 N 1.411581 2.321241 3.671157 4.329860 3.914781 15 H 4.923001 3.836956 4.223855 3.349002 2.027607 16 H 6.696628 5.455611 5.404112 4.271038 3.404580 17 H 5.423933 4.312197 4.424098 3.545473 2.698285 18 C 4.723564 4.899680 6.172994 6.180160 5.053211 19 Br 5.280166 3.917913 2.778339 1.874390 2.853164 20 H 2.049936 3.231697 4.532068 5.285756 4.912477 21 H 5.982172 4.642754 4.235563 3.096942 2.762004 22 H 6.168240 4.775377 4.308458 3.077280 2.736481 23 N 5.906516 6.197487 7.488855 7.503058 6.355141 24 H 4.927659 4.788791 5.935701 5.732331 4.489161 25 C 6.218393 6.806592 8.163158 8.372401 7.348948 26 C 7.129108 7.241487 8.454322 8.294706 7.042115 27 H 7.298608 7.865461 9.214595 9.377579 8.306431 28 H 5.910870 6.584817 7.942915 8.228018 7.279059 29 H 5.994576 6.710990 8.075274 8.390071 7.456899 30 H 7.921291 8.079354 9.305172 9.148568 7.888845 31 H 7.534566 7.682398 8.887631 8.749425 7.523241 32 H 7.110564 7.007587 8.123039 7.810845 6.496841 11 12 13 14 15 11 C 0.000000 12 N 1.351236 0.000000 13 C 2.212756 1.297911 0.000000 14 N 2.564834 2.325881 1.352072 0.000000 15 H 2.534042 2.491244 3.774037 4.740796 0.000000 16 H 4.376207 4.605020 5.859453 6.722676 2.484382 17 H 3.352745 3.621473 4.736702 5.463174 2.466796 18 C 4.039554 2.703801 2.268877 3.441614 4.344259 19 Br 3.975854 5.222470 6.179712 6.197712 4.377071 20 H 3.561407 3.196240 2.014101 0.997699 5.662811 21 H 3.929732 4.634733 5.822833 6.359552 3.047396 22 H 4.022523 4.747429 5.983031 6.553316 2.761932 23 N 5.364460 4.025478 3.514469 4.552405 5.480789 24 H 3.704160 2.384330 2.503542 3.829406 3.453917 25 C 6.209178 4.943185 4.104116 4.807229 6.738552 26 C 6.245061 4.904911 4.677135 5.831790 5.792961 27 H 7.215154 5.918834 5.153962 5.887666 7.540404 28 H 6.095309 4.902197 3.974951 4.528252 6.859417 29 H 6.252754 5.067766 4.095940 4.604577 7.011201 30 H 7.093690 5.746664 5.478040 6.594334 6.613677 31 H 6.726177 5.423211 5.158654 6.247386 6.275999 32 H 5.876444 4.581131 4.646193 5.920517 5.036589 16 17 18 19 20 16 H 0.000000 17 H 1.765165 0.000000 18 C 6.364687 5.554788 0.000000 19 Br 4.440380 4.220168 7.897665 0.000000 20 H 7.659786 6.364582 3.643639 7.142513 0.000000 21 H 1.762717 1.752886 6.916124 2.959774 7.328807 22 H 2.756787 3.529028 6.999683 2.744461 7.542229 23 N 7.366734 6.627918 1.327531 9.205618 4.543091 24 H 5.478463 4.882956 1.076839 7.328450 4.264607 25 C 8.641893 7.733247 2.403079 10.161029 4.490104 26 C 7.528806 7.089729 2.415501 9.870556 5.913738 27 H 9.351080 8.522320 3.280480 11.139838 5.553962 28 H 8.626297 7.533455 2.689955 10.036881 4.141399 29 H 9.101198 8.199370 2.740989 10.209496 4.166118 30 H 8.141122 7.666868 3.226206 10.718759 6.606476 31 H 8.161822 7.838980 2.998584 10.314703 6.283810 32 H 6.631512 6.358557 2.535987 9.271390 6.177568 21 22 23 24 25 21 H 0.000000 22 H 2.452257 0.000000 23 N 8.074444 8.182594 0.000000 24 H 6.183191 6.146468 2.041612 0.000000 25 C 9.205166 9.401143 1.453689 3.361938 0.000000 26 C 8.509818 8.470815 1.447969 2.562436 2.493355 27 H 10.040569 10.242785 2.069762 4.110346 1.081133 28 H 9.060162 9.506835 2.086177 3.701879 1.080397 29 H 9.556471 9.557237 2.101963 3.723137 1.083161 30 H 9.180336 9.323864 2.080094 3.458730 2.694997 31 H 9.146333 8.839725 2.106608 3.130145 2.877348 32 H 7.738813 7.681953 2.077538 2.223780 3.389160 26 27 28 29 30 26 C 0.000000 27 H 2.518060 0.000000 28 H 3.282578 1.764494 0.000000 29 H 3.121298 1.764744 1.756290 0.000000 30 H 1.083002 2.332427 3.361720 3.510800 0.000000 31 H 1.085930 2.797750 3.856734 3.184692 1.763226 32 H 1.081244 3.540250 4.036264 4.019244 1.751937 31 32 31 H 0.000000 32 H 1.763401 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.286331 -1.947780 0.003642 2 6 0 -1.738033 -2.488295 1.352831 3 8 0 -1.999079 -2.458018 -1.057453 4 7 0 3.354039 0.591281 0.075859 5 8 0 0.229521 3.847868 -0.010555 6 6 0 0.370155 2.662297 0.009986 7 6 0 -0.596538 1.602022 -0.005905 8 7 0 -1.972288 1.643115 -0.044120 9 6 0 -2.318908 0.421865 -0.028997 10 7 0 -1.276712 -0.470280 0.000098 11 6 0 -0.158485 0.308516 0.011232 12 7 0 1.112264 -0.149783 0.042863 13 6 0 1.999317 0.797691 0.041013 14 7 0 1.668379 2.108623 0.034881 15 1 0 -0.261413 -2.216458 -0.176595 16 1 0 -1.680924 -3.570546 1.347738 17 1 0 -1.100575 -2.103996 2.140352 18 6 0 3.774089 -0.611777 -0.065684 19 35 0 -4.109022 -0.132556 -0.067018 20 1 0 2.417093 2.767986 0.043281 21 1 0 -2.756636 -2.192350 1.572665 22 1 0 -2.925318 -2.479254 -0.856902 23 7 0 5.062099 -0.925538 0.004476 24 1 0 3.101065 -1.430854 -0.254716 25 6 0 6.045161 0.127258 0.200489 26 6 0 5.528242 -2.244199 -0.370302 27 1 0 7.023748 -0.325450 0.279686 28 1 0 5.826383 0.671592 1.107734 29 1 0 6.040026 0.823982 -0.628840 30 1 0 6.327038 -2.551348 0.293382 31 1 0 5.895583 -2.264540 -1.392012 32 1 0 4.719684 -2.955612 -0.274306 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5698310 0.1446237 0.1183763 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.7986445742 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.37D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 -0.000639 -0.000069 -0.000574 Ang= -0.10 deg. B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999971 0.006209 -0.000815 -0.004294 Ang= 0.87 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) = -3432.57986482 A.U. after 14 cycles NFock= 14 Conv=0.31D-08 -V/T= 2.0037 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 -0.002604323 0.006149003 0.000203342 2 6 -0.000915615 0.000592230 0.000042196 3 8 0.000834611 -0.004609665 -0.000354470 4 7 -0.000479440 0.001003138 -0.000494033 5 8 -0.000836033 -0.000009634 0.001290264 6 6 0.003009313 0.003059124 -0.004220751 7 6 -0.000468329 -0.001747237 0.000148774 8 7 -0.000441387 0.000990608 0.002061599 9 6 -0.001493650 -0.000481179 -0.002039459 10 7 0.005387412 -0.004292147 0.002498343 11 6 -0.000124055 -0.000911484 -0.000006123 12 7 0.001335325 0.001737758 -0.001268541 13 6 0.002257745 -0.001155438 0.004410949 14 7 -0.005793386 -0.001111290 -0.000664671 15 1 -0.000041505 0.001943008 0.000575737 16 1 0.000242893 -0.000014594 -0.000145358 17 1 0.000697929 -0.000072451 0.000015615 18 6 0.000256188 -0.000108498 -0.000888249 19 35 -0.000169829 0.000626929 0.000056595 20 1 0.000644430 0.000145889 -0.000017398 21 1 0.000180235 -0.000452219 0.000149040 22 1 -0.001179909 0.000101251 -0.001664864 23 7 -0.001363191 -0.000039086 -0.001264740 24 1 0.000579906 -0.000665056 0.000817896 25 6 -0.000055741 0.000200846 0.000061261 26 6 0.000752504 -0.000763994 0.001845326 27 1 -0.000591354 0.000134194 0.000246077 28 1 -0.000330921 0.000444788 -0.000361227 29 1 0.000039698 0.000151266 -0.000189671 30 1 -0.000134659 -0.000620579 -0.000211281 31 1 0.000178709 0.000336782 0.000111507 32 1 0.000626428 -0.000562263 -0.000743682 ------------------------------------------------------------------- Cartesian Forces: Max 0.006149003 RMS 0.001672491 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004844249 RMS 0.000928279 Search for a local minimum. Step number 18 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 16 18 DE= -3.91D-03 DEPred=-5.75D-03 R= 6.81D-01 TightC=F SS= 1.41D+00 RLast= 1.05D+00 DXNew= 4.4624D-01 3.1364D+00 Trust test= 6.81D-01 RLast= 1.05D+00 DXMaxT set to 4.46D-01 ITU= 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- -0.00249 0.00304 0.00581 0.00967 0.01252 Eigenvalues --- 0.01292 0.01418 0.01662 0.01680 0.01785 Eigenvalues --- 0.01876 0.02021 0.02099 0.02242 0.02330 Eigenvalues --- 0.02453 0.02556 0.02653 0.03281 0.03587 Eigenvalues --- 0.04895 0.05354 0.05574 0.05745 0.06479 Eigenvalues --- 0.07512 0.07634 0.07706 0.07844 0.08597 Eigenvalues --- 0.11140 0.15591 0.15841 0.15978 0.15999 Eigenvalues --- 0.16000 0.16002 0.16006 0.16058 0.16171 Eigenvalues --- 0.16253 0.16401 0.17268 0.18809 0.19398 Eigenvalues --- 0.21736 0.22203 0.23416 0.24148 0.24501 Eigenvalues --- 0.24835 0.24900 0.25008 0.25072 0.25435 Eigenvalues --- 0.26735 0.28823 0.30635 0.32189 0.33669 Eigenvalues --- 0.33702 0.33734 0.33746 0.33752 0.33776 Eigenvalues --- 0.33826 0.33888 0.34102 0.34530 0.35623 Eigenvalues --- 0.38137 0.39121 0.40677 0.41144 0.41606 Eigenvalues --- 0.42176 0.43872 0.44850 0.46022 0.47815 Eigenvalues --- 0.48562 0.48659 0.50466 0.52038 0.55667 Eigenvalues --- 0.60881 0.69208 0.71371 0.77243 0.87586 RFO step: Lambda=-2.52077245D-03 EMin=-2.48822533D-03 I= 1 Eig= -2.49D-03 Dot1= 1.28D-04 I= 1 Stepn= 6.00D-01 RXN= 6.00D-01 EDone=F Mixed 1 eigenvectors in step. Raw Step.Grad= 1.28D-04. RFO eigenvector is Hessian eigenvector with negative curvature. Taking step of 6.00D-01 in eigenvector direction(s). Step.Grad= 4.67D-06. Quartic linear search produced a step of 0.22412. Iteration 1 RMS(Cart)= 0.08467006 RMS(Int)= 0.00215494 Iteration 2 RMS(Cart)= 0.00337384 RMS(Int)= 0.00025402 Iteration 3 RMS(Cart)= 0.00000592 RMS(Int)= 0.00025397 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00025397 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87617 0.00006 0.00189 0.01903 0.02092 2.89709 R2 2.60088 0.00484 -0.00541 -0.00075 -0.00616 2.59472 R3 2.79214 -0.00440 0.00125 -0.05430 -0.05304 2.73909 R4 2.03102 0.00092 -0.00027 0.00960 0.00933 2.04035 R5 2.04803 0.00017 -0.00006 0.00652 0.00646 2.05449 R6 2.04774 -0.00011 0.00010 -0.00093 -0.00083 2.04691 R7 2.04707 0.00015 0.00005 -0.00212 -0.00207 2.04500 R8 1.79135 -0.00013 0.00171 0.01165 0.01337 1.80472 R9 2.59044 -0.00053 0.00057 0.00784 0.00841 2.59884 R10 2.42285 0.00022 0.00025 0.00374 0.00399 2.42684 R11 2.25645 0.00032 -0.00013 0.00115 0.00102 2.25747 R12 2.71156 0.00226 0.00071 0.02131 0.02198 2.73354 R13 2.66750 -0.00296 -0.00156 -0.03561 -0.03716 2.63034 R14 2.60195 -0.00046 0.00011 0.00078 0.00077 2.60272 R15 2.58094 0.00098 -0.00044 -0.00595 -0.00655 2.57439 R16 2.39915 0.00008 -0.00078 -0.00627 -0.00700 2.39215 R17 2.59309 0.00203 0.00106 0.02922 0.03043 2.62352 R18 3.54208 -0.00050 0.00258 0.00293 0.00551 3.54760 R19 2.57522 0.00041 -0.00086 0.00070 -0.00011 2.57510 R20 2.55347 0.00065 0.00045 0.01103 0.01148 2.56494 R21 2.45270 -0.00150 -0.00053 -0.01226 -0.01274 2.43996 R22 2.55505 0.00302 0.00029 0.02038 0.02072 2.57576 R23 1.88538 0.00006 0.00010 0.00108 0.00118 1.88656 R24 2.50867 -0.00107 0.00006 -0.00054 -0.00048 2.50819 R25 2.03493 0.00098 0.00023 0.00867 0.00890 2.04384 R26 2.74707 0.00116 -0.00039 0.00276 0.00237 2.74945 R27 2.73627 0.00179 -0.00109 0.00856 0.00747 2.74373 R28 2.04305 -0.00042 0.00005 -0.00384 -0.00379 2.03926 R29 2.04165 0.00015 -0.00027 0.00089 0.00062 2.04228 R30 2.04688 0.00016 0.00017 0.00006 0.00023 2.04711 R31 2.04658 -0.00060 0.00074 -0.00296 -0.00222 2.04436 R32 2.05211 -0.00007 -0.00015 -0.00292 -0.00307 2.04904 R33 2.04325 0.00021 -0.00038 0.00064 0.00026 2.04351 A1 1.98021 0.00015 0.00209 0.01100 0.01371 1.99393 A2 1.93819 0.00111 0.00071 0.04728 0.04791 1.98610 A3 1.92079 -0.00081 0.00250 -0.01489 -0.01294 1.90785 A4 1.95221 -0.00128 0.00097 -0.07807 -0.07700 1.87522 A5 1.84614 0.00096 -0.00661 0.02051 0.01388 1.86002 A6 1.81663 -0.00018 -0.00010 0.01333 0.01296 1.82960 A7 1.91222 -0.00053 0.00223 0.00824 0.01047 1.92269 A8 1.92165 0.00016 0.00098 0.00639 0.00736 1.92901 A9 1.94114 0.00035 -0.00207 -0.00068 -0.00276 1.93838 A10 1.90346 -0.00013 0.00022 -0.02584 -0.02562 1.87784 A11 1.90003 -0.00006 -0.00037 -0.00209 -0.00246 1.89757 A12 1.88471 0.00020 -0.00100 0.01326 0.01223 1.89694 A13 1.92965 0.00110 -0.00435 -0.03330 -0.03765 1.89200 A14 2.05134 -0.00298 0.00093 -0.00648 -0.00556 2.04579 A15 2.28383 -0.00068 0.00034 -0.00965 -0.00934 2.27449 A16 2.09217 0.00094 -0.00014 0.01169 0.01153 2.10370 A17 1.90706 -0.00024 -0.00022 -0.00215 -0.00246 1.90460 A18 2.28022 -0.00018 0.00030 -0.00066 -0.00030 2.27992 A19 2.07556 0.00028 0.00003 0.00586 0.00582 2.08138 A20 1.92739 -0.00010 -0.00034 -0.00513 -0.00553 1.92186 A21 1.81703 0.00019 0.00003 0.00879 0.00889 1.82592 A22 2.00237 0.00041 0.00019 -0.00453 -0.00466 1.99771 A23 2.14722 -0.00069 -0.00024 -0.00326 -0.00422 2.14300 A24 2.13350 0.00030 0.00016 0.00852 0.00793 2.14143 A25 2.27214 0.00204 0.00179 0.01999 0.02118 2.29332 A26 2.18560 -0.00088 -0.00093 -0.00887 -0.01030 2.17530 A27 1.82538 -0.00116 -0.00069 -0.01173 -0.01251 1.81287 A28 1.85247 0.00068 0.00080 0.01284 0.01369 1.86616 A29 2.24356 -0.00052 -0.00045 -0.01233 -0.01288 2.23068 A30 2.18713 -0.00015 -0.00034 -0.00060 -0.00097 2.18616 A31 1.97698 -0.00033 0.00050 0.00477 0.00536 1.98234 A32 2.17180 -0.00133 0.00365 0.03143 0.03446 2.20626 A33 1.96926 0.00041 -0.00296 -0.03208 -0.03555 1.93371 A34 2.14184 0.00094 -0.00071 -0.00034 -0.00144 2.14040 A35 2.22118 -0.00012 0.00082 0.00378 0.00464 2.22582 A36 2.01651 0.00067 0.00047 0.01912 0.01956 2.03607 A37 2.04548 -0.00056 -0.00129 -0.02287 -0.02419 2.02129 A38 2.13390 0.00011 -0.00146 -0.00634 -0.00812 2.12578 A39 2.12744 0.00030 0.00026 0.00417 0.00411 2.13155 A40 2.02183 -0.00041 0.00126 0.00199 0.00293 2.02476 A41 2.08527 -0.00032 0.00094 0.00651 0.00708 2.09235 A42 2.11053 -0.00099 0.00387 0.00552 0.00903 2.11956 A43 2.06774 0.00136 -0.00675 -0.00173 -0.00886 2.05888 A44 1.89519 0.00038 -0.00084 0.00322 0.00236 1.89755 A45 1.91896 0.00071 0.00016 0.01291 0.01304 1.93200 A46 1.93842 -0.00003 0.00084 0.00166 0.00249 1.94091 A47 1.91001 -0.00047 -0.00031 -0.00747 -0.00781 1.90220 A48 1.90680 -0.00018 -0.00030 -0.00456 -0.00486 1.90194 A49 1.89432 -0.00043 0.00044 -0.00602 -0.00561 1.88871 A50 1.91464 0.00026 0.00143 0.00569 0.00702 1.92166 A51 1.94925 -0.00022 -0.00116 -0.00909 -0.01024 1.93901 A52 1.91291 0.00107 -0.00044 0.02145 0.02094 1.93385 A53 1.89839 -0.00028 0.00006 -0.01115 -0.01110 1.88729 A54 1.88657 -0.00025 0.00008 -0.00126 -0.00135 1.88521 A55 1.90093 -0.00060 0.00007 -0.00574 -0.00563 1.89530 D1 0.98232 0.00052 -0.00814 0.04870 0.04047 1.02279 D2 3.07568 0.00013 -0.00590 0.02598 0.01999 3.09567 D3 -1.11907 0.00071 -0.00783 0.04632 0.03841 -1.08066 D4 -3.08432 -0.00018 -0.00460 -0.00898 -0.01348 -3.09780 D5 -0.99096 -0.00057 -0.00235 -0.03170 -0.03396 -1.02493 D6 1.09747 0.00002 -0.00429 -0.01136 -0.01554 1.08193 D7 -1.08219 -0.00024 -0.00285 0.02582 0.02295 -1.05924 D8 1.01117 -0.00063 -0.00061 0.00310 0.00247 1.01364 D9 3.09961 -0.00004 -0.00254 0.02344 0.02089 3.12050 D10 0.75540 0.00136 0.11292 -0.18944 -0.07643 0.67897 D11 -1.45378 0.00080 0.10948 -0.19759 -0.08820 -1.54198 D12 2.86256 0.00109 0.11282 -0.18762 -0.07479 2.78777 D13 -1.27552 0.00021 -0.00351 0.05591 0.05291 -1.22262 D14 1.88010 0.00024 -0.01164 0.12302 0.11202 1.99212 D15 0.95629 0.00028 0.00060 0.04643 0.04661 1.00290 D16 -2.17127 0.00031 -0.00753 0.11353 0.10572 -2.06555 D17 2.94148 0.00072 -0.00674 0.04252 0.03549 2.97697 D18 -0.18608 0.00076 -0.01487 0.10962 0.09460 -0.09148 D19 0.15740 -0.00060 0.00694 0.08393 0.09108 0.24848 D20 -3.00914 0.00050 -0.00287 0.03975 0.03667 -2.97247 D21 -3.09505 0.00061 -0.00168 -0.01089 -0.01258 -3.10763 D22 0.05250 -0.00050 0.00581 0.02776 0.03358 0.08608 D23 -0.00525 0.00036 -0.00296 -0.00408 -0.00707 -0.01232 D24 3.12972 0.00062 -0.00272 0.01117 0.00848 3.13820 D25 -3.12933 -0.00070 0.00230 0.00372 0.00608 -3.12325 D26 0.00564 -0.00044 0.00254 0.01897 0.02162 0.02727 D27 -3.12416 -0.00073 0.00382 -0.00879 -0.00495 -3.12911 D28 0.01061 -0.00073 0.00345 -0.00254 0.00088 0.01150 D29 0.00215 0.00018 -0.00077 -0.01582 -0.01681 -0.01466 D30 3.13693 0.00019 -0.00114 -0.00957 -0.01098 3.12595 D31 -3.13156 -0.00060 0.00151 0.00203 0.00340 -3.12816 D32 0.01621 -0.00084 0.00129 -0.01224 -0.01107 0.00514 D33 3.13414 0.00032 -0.00163 -0.01519 -0.01693 3.11722 D34 0.00035 0.00027 -0.00119 -0.00359 -0.00465 -0.00430 D35 -0.01281 0.00053 -0.00143 -0.00284 -0.00435 -0.01716 D36 3.13658 0.00048 -0.00099 0.00876 0.00792 -3.13868 D37 -0.01376 0.00085 -0.00066 0.02356 0.02292 0.00916 D38 -3.14127 -0.00011 -0.00557 -0.03410 -0.03910 3.10281 D39 -3.12347 -0.00051 -0.00704 0.03086 0.02428 -3.09919 D40 0.00628 -0.00055 -0.00020 -0.02582 -0.02585 -0.01957 D41 0.00416 0.00042 -0.00218 0.08790 0.08613 0.09029 D42 3.13391 0.00039 0.00466 0.03122 0.03600 -3.11328 D43 3.13487 -0.00003 0.00746 -0.03705 -0.02879 3.10608 D44 -0.01420 0.00001 0.00704 -0.04823 -0.04074 -0.05494 D45 0.00436 -0.00003 0.00098 0.01570 0.01662 0.02098 D46 3.13847 0.00001 0.00055 0.00452 0.00468 -3.14004 D47 -0.01423 0.00024 -0.00236 -0.01831 -0.02091 -0.03514 D48 3.13654 0.00018 -0.00185 -0.00470 -0.00657 3.12997 D49 3.13589 0.00068 -0.00650 -0.02650 -0.03410 3.10179 D50 0.02162 -0.00052 0.00423 0.02227 0.02669 0.04832 D51 -3.13463 -0.00072 0.00675 0.03700 0.04290 -3.09173 D52 0.01388 -0.00073 0.00712 0.03053 0.03697 0.05084 D53 -0.01749 0.00033 -0.00292 -0.00578 -0.00848 -0.02597 D54 3.13102 0.00031 -0.00255 -0.01226 -0.01441 3.11660 D55 -0.03937 -0.00052 0.00079 0.03464 0.03548 -0.00389 D56 -2.96610 -0.00099 0.01341 -0.02074 -0.00740 -2.97350 D57 3.09660 0.00052 -0.00626 -0.00182 -0.00801 3.08859 D58 0.16987 0.00006 0.00636 -0.05719 -0.05089 0.11898 D59 3.09370 -0.00031 -0.00664 -0.00087 -0.00749 3.08621 D60 1.00448 -0.00039 -0.00583 -0.00139 -0.00722 0.99726 D61 -1.09246 -0.00030 -0.00703 -0.00342 -0.01046 -1.10292 D62 -0.25750 -0.00014 -0.01799 0.05402 0.03604 -0.22146 D63 -2.34672 -0.00022 -0.01718 0.05349 0.03631 -2.31041 D64 1.83953 -0.00014 -0.01838 0.05147 0.03308 1.87261 D65 -2.48924 0.00028 0.04294 -0.12481 -0.08196 -2.57121 D66 1.68776 0.00061 0.04265 -0.10869 -0.06608 1.62169 D67 -0.42045 0.00078 0.04363 -0.11003 -0.06634 -0.48679 D68 0.86511 0.00002 0.05474 -0.18062 -0.12592 0.73918 D69 -1.24107 0.00035 0.05446 -0.16450 -0.11003 -1.35111 D70 2.93390 0.00052 0.05543 -0.16584 -0.11030 2.82360 Item Value Threshold Converged? Maximum Force 0.004844 0.000450 NO RMS Force 0.000928 0.000300 NO Maximum Displacement 0.293099 0.001800 NO RMS Displacement 0.084366 0.001200 NO Predicted change in Energy=-4.992976D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.146120 -4.837326 2.277789 2 6 0 7.141158 -5.073456 3.792561 3 8 0 7.292653 -5.979302 1.529639 4 7 0 7.712566 0.059084 0.357166 5 8 0 3.354125 -0.893389 -0.115037 6 6 0 4.390316 -1.336831 0.280864 7 6 0 4.693973 -2.622447 0.870292 8 7 0 3.876965 -3.694193 1.154562 9 6 0 4.646711 -4.553173 1.676172 10 7 0 5.969170 -4.146248 1.789779 11 6 0 5.974885 -2.897856 1.243520 12 7 0 7.064833 -2.096829 1.131005 13 6 0 6.816650 -0.963533 0.564286 14 7 0 5.563371 -0.595074 0.175198 15 1 0 7.972366 -4.191976 2.019714 16 1 0 8.066677 -5.553982 4.099945 17 1 0 7.069058 -4.132041 4.323426 18 6 0 8.959197 -0.214306 0.500049 19 35 0 4.036499 -6.208722 2.317325 20 1 0 5.484142 0.312629 -0.232783 21 1 0 6.309842 -5.701272 4.085559 22 1 0 6.790964 -6.678020 1.944554 23 7 0 9.898998 0.712345 0.359488 24 1 0 9.309108 -1.219027 0.694602 25 6 0 9.525560 2.079394 0.029968 26 6 0 11.307460 0.362303 0.317336 27 1 0 10.416695 2.687806 0.014794 28 1 0 8.841223 2.476407 0.766198 29 1 0 9.046786 2.131751 -0.940362 30 1 0 11.900119 1.151264 0.760786 31 1 0 11.644019 0.220590 -0.703626 32 1 0 11.493791 -0.547568 0.871231 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.533074 0.000000 3 O 1.373066 2.442197 0.000000 4 N 5.290036 6.202532 6.165479 0.000000 5 O 5.971556 6.861771 6.639539 4.486222 0.000000 6 C 4.882175 5.819065 5.615651 3.604406 1.194600 7 C 3.591624 4.531646 4.296086 4.070111 2.399106 8 N 3.640847 4.417733 4.126661 5.425381 3.119254 9 C 2.586452 3.312411 3.009374 5.693167 4.274720 10 N 1.449467 2.498881 2.275822 4.772486 4.587797 11 C 2.490592 3.548385 3.363583 3.542408 3.568186 12 N 2.971875 3.993746 3.909528 2.380409 4.095148 13 C 4.248636 5.236270 5.129954 1.375249 3.529232 14 N 4.992263 5.969140 5.815053 2.253902 2.248109 15 H 1.079705 2.147301 1.974011 4.571987 6.063496 16 H 2.163625 1.087187 2.717809 6.755761 7.854639 17 H 2.165177 1.083179 3.356727 5.806104 6.632462 18 C 5.274459 6.144692 6.088728 1.284231 5.679465 19 Br 3.398828 3.619953 3.357919 7.526027 5.885133 20 H 5.965499 6.925244 6.779767 2.319094 2.450575 21 H 2.171127 1.082168 2.752444 7.003588 7.035411 22 H 1.904031 2.472325 0.955014 6.982672 7.036742 23 N 6.485141 7.270980 7.276017 2.281938 6.755658 24 H 4.503009 5.399443 5.236755 2.072771 6.018586 25 C 7.652154 8.426491 8.495733 2.734165 6.851647 26 C 6.942353 7.680022 7.602914 3.607879 8.063451 27 H 8.511487 9.232434 9.336656 3.786781 7.919703 28 H 7.658262 8.309604 8.630176 2.699005 6.499257 29 H 7.908038 8.828759 8.658353 2.785619 6.499155 30 H 7.795192 8.401578 8.524368 4.346420 8.830724 31 H 7.396110 8.277583 7.896868 4.075253 8.385089 32 H 6.267589 6.925550 6.898319 3.863930 8.206490 6 7 8 9 10 6 C 0.000000 7 C 1.446527 0.000000 8 N 2.565937 1.377298 0.000000 9 C 3.515320 2.092696 1.265872 0.000000 10 N 3.558431 2.189418 2.232751 1.388306 0.000000 11 C 2.423709 1.362308 2.245737 2.165943 1.362686 12 N 2.907469 2.442380 3.565757 3.489720 2.415487 13 C 2.471190 2.711345 4.055450 4.339405 3.514218 14 N 1.391915 2.312845 3.661647 4.331251 3.922038 15 H 4.899646 3.812145 4.215280 3.362807 2.016868 16 H 6.773875 5.513591 5.448650 4.309578 3.423174 17 H 5.597425 4.454664 4.519166 3.612903 2.762123 18 C 4.709860 4.912063 6.194117 6.229492 5.105275 19 Br 5.292228 3.922696 2.774946 1.877306 2.875295 20 H 2.044752 3.233545 4.534575 5.293527 4.920121 21 H 6.099887 4.735835 4.305577 3.144723 2.793700 22 H 6.087633 4.690318 4.244844 3.030648 2.666302 23 N 5.877999 6.202744 7.504305 7.552870 6.410554 24 H 4.937568 4.827000 5.987169 5.815321 4.574191 25 C 6.172866 6.793945 8.155099 8.396672 7.382646 26 C 7.122869 7.276861 8.506960 8.388916 7.140900 27 H 7.251602 7.853674 9.208531 9.406629 8.344779 28 H 5.881064 6.573343 7.929123 8.236321 7.290814 29 H 5.933394 6.695360 8.065815 8.419924 7.505908 30 H 7.925786 8.135197 9.381072 9.273104 8.018642 31 H 7.484049 7.672236 8.894128 8.798555 7.582232 32 H 7.171529 7.109335 8.246063 7.973413 6.657001 11 12 13 14 15 11 C 0.000000 12 N 1.357310 0.000000 13 C 2.216197 1.291172 0.000000 14 N 2.571665 2.328782 1.363034 0.000000 15 H 2.503428 2.450114 3.725156 4.705656 0.000000 16 H 4.426033 4.665855 5.927535 6.801541 2.488236 17 H 3.493744 3.785981 4.922832 5.655531 2.475206 18 C 4.081704 2.744197 2.270677 3.432514 4.370935 19 Br 3.983997 5.242692 6.189862 6.199443 4.432481 20 H 3.567564 3.188101 2.009848 0.998324 5.617514 21 H 4.006060 4.721377 5.924726 6.474674 3.051177 22 H 3.930276 4.660920 5.878873 6.452894 2.753502 23 N 5.404972 4.064380 3.514452 4.532214 5.524547 24 H 3.773172 2.449032 2.508906 3.832708 3.518696 25 C 6.233219 4.970745 4.108905 4.782553 6.760294 26 C 6.318450 4.970843 4.688944 5.825061 5.895964 27 H 7.241482 5.947574 5.156989 5.861551 7.571383 28 H 6.109536 4.919669 3.996605 4.530739 6.840580 29 H 6.285130 5.108776 4.101007 4.562261 7.064414 30 H 7.192830 5.836709 5.509322 6.599014 6.749989 31 H 6.756860 5.450252 5.129643 6.197735 6.353609 32 H 6.010056 4.699294 4.705623 5.971315 5.196263 16 17 18 19 20 16 H 0.000000 17 H 1.751315 0.000000 18 C 6.501383 5.791328 0.000000 19 Br 4.455194 4.187297 7.966710 0.000000 20 H 7.736870 6.559428 3.590364 7.150297 0.000000 21 H 1.763057 1.759396 7.069778 2.924422 7.449621 22 H 2.745289 3.495479 6.969033 2.818914 7.437590 23 N 7.524312 6.869456 1.327277 9.279180 4.472304 24 H 5.650826 5.164478 1.081551 7.438461 4.223314 25 C 8.772770 7.940410 2.408901 10.200719 4.418546 26 C 7.733902 7.362875 2.424912 10.002260 5.849455 27 H 9.494110 8.733916 3.283599 11.187348 5.480222 28 H 8.729315 7.711422 2.706417 10.046036 4.117025 29 H 9.243149 8.417479 2.754350 10.260555 4.062302 30 H 8.414606 7.996553 3.252966 10.882497 6.546392 31 H 8.319697 8.071363 2.974262 10.408485 6.178531 32 H 6.872692 6.659156 2.583216 9.473704 6.170467 21 22 23 24 25 21 H 0.000000 22 H 2.401961 0.000000 23 N 8.240153 8.172502 0.000000 24 H 6.370613 6.140361 2.047063 0.000000 25 C 9.344915 9.372084 1.454945 3.371673 0.000000 26 C 8.714507 8.521309 1.451920 2.576110 2.491215 27 H 10.188915 10.226856 2.071055 4.117309 1.079128 28 H 9.181529 9.454925 2.096716 3.725624 1.080727 29 H 9.700876 9.540625 2.104897 3.737598 1.083285 30 H 9.447887 9.423505 2.087625 3.512264 2.652179 31 H 9.298289 8.840578 2.101697 3.078854 2.912247 32 H 7.985355 7.800707 2.095860 2.292355 3.388597 26 27 28 29 30 26 C 0.000000 27 H 2.508577 0.000000 28 H 3.279213 1.758240 0.000000 29 H 3.134231 1.760163 1.753110 0.000000 30 H 1.081829 2.262302 3.333598 3.463636 0.000000 31 H 1.084305 2.847737 3.886483 3.233295 1.753923 32 H 1.081381 3.515859 4.023875 4.055670 1.750238 31 32 31 H 0.000000 32 H 1.758639 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.294293 -1.951822 -0.003057 2 6 0 -1.854351 -2.581930 1.277417 3 8 0 -1.927918 -2.353705 -1.152980 4 7 0 3.354224 0.571319 0.094554 5 8 0 0.257173 3.814607 -0.030130 6 6 0 0.396172 2.628346 -0.006980 7 6 0 -0.589645 1.569926 -0.025816 8 7 0 -1.965299 1.626159 -0.062743 9 6 0 -2.335034 0.415581 -0.047700 10 7 0 -1.295132 -0.502412 0.009631 11 6 0 -0.174442 0.272794 0.004826 12 7 0 1.100024 -0.192096 0.048447 13 6 0 1.991605 0.741370 0.019316 14 7 0 1.669213 2.065667 0.006606 15 1 0 -0.255791 -2.226604 -0.111558 16 1 0 -1.785404 -3.665563 1.222984 17 1 0 -1.283447 -2.260479 2.139980 18 6 0 3.808100 -0.617662 -0.077402 19 35 0 -4.141289 -0.095415 -0.023051 20 1 0 2.439603 2.700609 0.006298 21 1 0 -2.890460 -2.306773 1.425248 22 1 0 -2.863541 -2.421282 -0.973831 23 7 0 5.103590 -0.891692 0.013572 24 1 0 3.166497 -1.444331 -0.350750 25 6 0 6.050451 0.172249 0.310805 26 6 0 5.633844 -2.184334 -0.381371 27 1 0 7.036982 -0.256361 0.397784 28 1 0 5.796212 0.661067 1.240531 29 1 0 6.059006 0.919562 -0.473386 30 1 0 6.481613 -2.443653 0.238625 31 1 0 5.962528 -2.172206 -1.414588 32 1 0 4.886497 -2.957398 -0.266354 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5806571 0.1424262 0.1174220 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1837.7034648908 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.46D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999984 -0.005500 0.001475 0.000033 Ang= -0.65 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.57581352 A.U. after 13 cycles NFock= 13 Conv=0.84D-08 -V/T= 2.0038 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 0.005604795 0.002877834 0.000190739 2 6 0.000140478 0.000180034 -0.004149190 3 8 0.004917404 -0.023323970 0.009016243 4 7 0.004994046 -0.008485889 0.002171428 5 8 -0.001933242 0.000468281 0.001773973 6 6 -0.001993871 -0.009901931 -0.003293919 7 6 -0.003814436 0.000845077 -0.001211265 8 7 -0.002280683 0.002915547 -0.001472801 9 6 0.009264905 0.000860752 0.006417840 10 7 -0.017851661 0.013389073 0.001748071 11 6 0.003001678 0.004762694 0.000848375 12 7 0.005989553 -0.002400242 -0.002213035 13 6 -0.011568963 0.011531306 0.006125217 14 7 0.008213468 0.002937797 -0.001598198 15 1 -0.002654755 -0.000169784 0.001133549 16 1 -0.001423275 -0.000181546 -0.003511825 17 1 -0.001709199 0.000821383 -0.001123715 18 6 0.000019668 -0.000945366 -0.006868472 19 35 0.002511647 0.001143040 -0.001910687 20 1 -0.001733493 -0.000829817 0.000431272 21 1 -0.000349750 0.000264417 0.001289468 22 1 0.003925448 0.002426663 -0.008096609 23 7 0.003023018 0.001909562 0.003718679 24 1 -0.000436738 0.002685737 0.002439116 25 6 -0.002271364 0.000295575 -0.001226448 26 6 0.000063675 -0.001704489 -0.001270196 27 1 0.000808143 0.000259896 0.000149034 28 1 -0.000483586 -0.001105734 0.000425352 29 1 0.000020975 -0.000584578 -0.000171611 30 1 -0.001414397 -0.000160381 0.001325851 31 1 0.001059966 -0.000096350 -0.001120547 32 1 -0.001639454 -0.000684589 0.000034312 ------------------------------------------------------------------- Cartesian Forces: Max 0.023323970 RMS 0.004888634 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.017822866 RMS 0.003692925 Search for a local minimum. Step number 19 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 19 18 ITU= 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00304 0.00702 0.01002 0.01241 0.01262 Eigenvalues --- 0.01406 0.01664 0.01689 0.01760 0.01883 Eigenvalues --- 0.01950 0.02073 0.02139 0.02253 0.02387 Eigenvalues --- 0.02477 0.02659 0.02679 0.03357 0.04667 Eigenvalues --- 0.05138 0.05503 0.05624 0.06031 0.06725 Eigenvalues --- 0.07550 0.07592 0.07717 0.07788 0.09082 Eigenvalues --- 0.15500 0.15673 0.15966 0.15998 0.16000 Eigenvalues --- 0.16002 0.16004 0.16044 0.16080 0.16167 Eigenvalues --- 0.16377 0.16637 0.18781 0.19123 0.21294 Eigenvalues --- 0.22232 0.23424 0.23766 0.24662 0.24733 Eigenvalues --- 0.24839 0.24953 0.25118 0.25162 0.25861 Eigenvalues --- 0.28403 0.29970 0.32000 0.32959 0.33689 Eigenvalues --- 0.33735 0.33742 0.33754 0.33776 0.33832 Eigenvalues --- 0.33844 0.33965 0.34226 0.34678 0.36541 Eigenvalues --- 0.38286 0.39463 0.40709 0.41169 0.41648 Eigenvalues --- 0.43783 0.44305 0.45864 0.47645 0.48084 Eigenvalues --- 0.48659 0.50453 0.51875 0.55367 0.57403 Eigenvalues --- 0.61737 0.69893 0.71817 0.77300 0.87769 RFO step: Lambda=-1.20888691D-03 EMin= 3.03685402D-03 Quartic linear search produced a step of -0.95120. Iteration 1 RMS(Cart)= 0.08378363 RMS(Int)= 0.00318996 Iteration 2 RMS(Cart)= 0.00467885 RMS(Int)= 0.00018628 Iteration 3 RMS(Cart)= 0.00003767 RMS(Int)= 0.00018391 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00018391 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89709 -0.00756 -0.01990 0.00059 -0.01931 2.87778 R2 2.59472 0.01782 0.00586 0.01283 0.01869 2.61341 R3 2.73909 0.01325 0.05046 -0.01154 0.03891 2.77801 R4 2.04035 -0.00240 -0.00887 0.00124 -0.00764 2.03271 R5 2.05449 -0.00212 -0.00615 -0.00051 -0.00666 2.04783 R6 2.04691 0.00028 0.00079 0.00047 0.00126 2.04817 R7 2.04500 0.00046 0.00197 -0.00221 -0.00024 2.04476 R8 1.80472 -0.00736 -0.01271 -0.00132 -0.01404 1.79068 R9 2.59884 -0.00391 -0.00800 -0.00257 -0.01057 2.58828 R10 2.42684 -0.00147 -0.00380 0.00016 -0.00364 2.42321 R11 2.25747 0.00126 -0.00097 0.00047 -0.00050 2.25697 R12 2.73354 -0.00426 -0.02091 0.00251 -0.01844 2.71510 R13 2.63034 0.00734 0.03535 -0.00652 0.02888 2.65922 R14 2.60272 -0.00144 -0.00073 0.00059 -0.00007 2.60264 R15 2.57439 0.00181 0.00623 -0.00132 0.00486 2.57925 R16 2.39215 0.00287 0.00666 -0.00251 0.00415 2.39630 R17 2.62352 -0.01009 -0.02895 0.00426 -0.02475 2.59877 R18 3.54760 -0.00248 -0.00524 0.00038 -0.00486 3.54274 R19 2.57510 0.00031 0.00011 0.00043 0.00050 2.57560 R20 2.56494 -0.00230 -0.01092 0.00060 -0.01037 2.55458 R21 2.43996 -0.00003 0.01211 -0.00391 0.00825 2.44821 R22 2.57576 -0.00079 -0.01970 0.00370 -0.01592 2.55984 R23 1.88656 -0.00079 -0.00112 -0.00007 -0.00120 1.88536 R24 2.50819 -0.00209 0.00046 -0.00358 -0.00313 2.50506 R25 2.04384 -0.00220 -0.00847 0.00142 -0.00705 2.03679 R26 2.74945 -0.00039 -0.00226 0.00071 -0.00155 2.74790 R27 2.74373 -0.00120 -0.00710 0.00164 -0.00547 2.73827 R28 2.03926 0.00081 0.00360 -0.00075 0.00285 2.04211 R29 2.04228 0.00019 -0.00059 0.00015 -0.00044 2.04184 R30 2.04711 0.00012 -0.00022 0.00030 0.00008 2.04719 R31 2.04436 -0.00035 0.00211 -0.00120 0.00091 2.04527 R32 2.04904 0.00140 0.00292 -0.00023 0.00269 2.05173 R33 2.04351 0.00031 -0.00025 0.00063 0.00038 2.04390 A1 1.99393 -0.00725 -0.01304 0.00067 -0.01263 1.98130 A2 1.98610 -0.01039 -0.04558 0.00889 -0.03696 1.94914 A3 1.90785 0.00347 0.01231 -0.01061 0.00149 1.90934 A4 1.87522 0.01680 0.07324 0.00233 0.07568 1.95090 A5 1.86002 -0.00095 -0.01320 0.00815 -0.00487 1.85515 A6 1.82960 -0.00067 -0.01233 -0.01025 -0.02286 1.80674 A7 1.92269 -0.00398 -0.00996 -0.00988 -0.01983 1.90286 A8 1.92901 -0.00163 -0.00700 0.00090 -0.00608 1.92292 A9 1.93838 0.00244 0.00263 0.00954 0.01222 1.95060 A10 1.87784 0.00307 0.02437 -0.00258 0.02176 1.89960 A11 1.89757 0.00072 0.00234 -0.00223 0.00016 1.89773 A12 1.89694 -0.00052 -0.01163 0.00398 -0.00760 1.88934 A13 1.89200 0.00977 0.03582 0.00851 0.04433 1.93633 A14 2.04579 -0.00386 0.00529 -0.00983 -0.00454 2.04125 A15 2.27449 -0.00110 0.00888 -0.00436 0.00436 2.27885 A16 2.10370 0.00112 -0.01096 0.00524 -0.00589 2.09781 A17 1.90460 0.00003 0.00234 -0.00031 0.00191 1.90652 A18 2.27992 0.00008 0.00029 -0.00112 -0.00076 2.27916 A19 2.08138 -0.00016 -0.00554 0.00239 -0.00322 2.07816 A20 1.92186 0.00008 0.00526 -0.00131 0.00401 1.92587 A21 1.82592 -0.00198 -0.00846 0.00134 -0.00717 1.81875 A22 1.99771 0.00203 0.00444 -0.00012 0.00443 2.00214 A23 2.14300 0.00170 0.00401 -0.00079 0.00356 2.14657 A24 2.14143 -0.00362 -0.00754 0.00024 -0.00696 2.13447 A25 2.29332 -0.00553 -0.02014 0.00327 -0.01645 2.27687 A26 2.17530 0.00355 0.00980 -0.00218 0.00799 2.18329 A27 1.81287 0.00199 0.01190 -0.00272 0.00929 1.82215 A28 1.86616 -0.00208 -0.01303 0.00234 -0.01073 1.85543 A29 2.23068 0.00224 0.01225 -0.00220 0.01004 2.24072 A30 2.18616 -0.00015 0.00092 -0.00024 0.00079 2.18695 A31 1.98234 -0.00152 -0.00510 -0.00117 -0.00620 1.97615 A32 2.20626 -0.01228 -0.03277 -0.00441 -0.03781 2.16845 A33 1.93371 0.01077 0.03382 0.00238 0.03557 1.96928 A34 2.14040 0.00181 0.00137 0.00408 0.00506 2.14546 A35 2.22582 -0.00231 -0.00441 -0.00224 -0.00650 2.21931 A36 2.03607 -0.00051 -0.01861 0.00432 -0.01437 2.02171 A37 2.02129 0.00282 0.02300 -0.00207 0.02086 2.04215 A38 2.12578 0.00299 0.00772 0.00255 0.00987 2.13565 A39 2.13155 -0.00097 -0.00391 0.00163 -0.00269 2.12887 A40 2.02476 -0.00186 -0.00279 -0.00304 -0.00624 2.01852 A41 2.09235 -0.00175 -0.00674 0.00091 -0.00566 2.08669 A42 2.11956 -0.00359 -0.00858 -0.00142 -0.00984 2.10972 A43 2.05888 0.00536 0.00843 0.00299 0.01161 2.07049 A44 1.89755 0.00014 -0.00225 0.00164 -0.00060 1.89695 A45 1.93200 -0.00155 -0.01241 0.00301 -0.00939 1.92261 A46 1.94091 -0.00060 -0.00236 -0.00087 -0.00323 1.93767 A47 1.90220 0.00085 0.00743 -0.00163 0.00582 1.90802 A48 1.90194 0.00049 0.00462 -0.00032 0.00431 1.90625 A49 1.88871 0.00073 0.00533 -0.00191 0.00343 1.89214 A50 1.92166 -0.00170 -0.00668 0.00175 -0.00488 1.91678 A51 1.93901 0.00191 0.00974 -0.00338 0.00635 1.94536 A52 1.93385 -0.00253 -0.01992 0.00498 -0.01490 1.91895 A53 1.88729 0.00080 0.01056 -0.00170 0.00886 1.89615 A54 1.88521 0.00119 0.00129 0.00171 0.00310 1.88831 A55 1.89530 0.00042 0.00535 -0.00344 0.00189 1.89719 D1 1.02279 -0.00413 -0.03850 0.00281 -0.03560 0.98720 D2 3.09567 -0.00386 -0.01901 -0.00603 -0.02490 3.07077 D3 -1.08066 -0.00399 -0.03654 0.00593 -0.03049 -1.11115 D4 -3.09780 0.00426 0.01282 0.01404 0.02670 -3.07111 D5 -1.02493 0.00453 0.03231 0.00521 0.03739 -0.98753 D6 1.08193 0.00439 0.01478 0.01716 0.03180 1.11373 D7 -1.05924 -0.00065 -0.02183 -0.00047 -0.02230 -1.08154 D8 1.01364 -0.00038 -0.00235 -0.00931 -0.01160 1.00204 D9 3.12050 -0.00051 -0.01987 0.00265 -0.01720 3.10330 D10 0.67897 -0.00054 0.07270 0.12181 0.19465 0.87362 D11 -1.54198 0.00502 0.08390 0.10769 0.19164 -1.35034 D12 2.78777 -0.00130 0.07114 0.11459 0.18553 2.97330 D13 -1.22262 0.00050 -0.05032 0.01894 -0.03143 -1.25404 D14 1.99212 0.00024 -0.10655 0.05424 -0.05244 1.93968 D15 1.00290 -0.00328 -0.04434 0.02821 -0.01579 0.98710 D16 -2.06555 -0.00355 -0.10056 0.06352 -0.03681 -2.10236 D17 2.97697 0.00243 -0.03375 0.03374 -0.00016 2.97681 D18 -0.09148 0.00216 -0.08998 0.06905 -0.02117 -0.11265 D19 0.24848 -0.00273 -0.08663 0.01070 -0.07572 0.17276 D20 -2.97247 0.00178 -0.03488 0.03968 0.00459 -2.96788 D21 -3.10763 0.00195 0.01196 0.01786 0.02987 -3.07776 D22 0.08608 -0.00194 -0.03194 -0.00931 -0.04129 0.04479 D23 -0.01232 0.00099 0.00672 0.00828 0.01500 0.00269 D24 3.13820 0.00071 -0.00806 0.01418 0.00607 -3.13892 D25 -3.12325 -0.00097 -0.00578 -0.01421 -0.01990 3.14004 D26 0.02727 -0.00125 -0.02057 -0.00831 -0.02883 -0.00157 D27 -3.12911 -0.00112 0.00471 -0.01802 -0.01328 3.14079 D28 0.01150 -0.00112 -0.00084 -0.01596 -0.01689 -0.00539 D29 -0.01466 0.00057 0.01599 0.00170 0.01759 0.00293 D30 3.12595 0.00057 0.01045 0.00376 0.01398 3.13993 D31 -3.12816 -0.00060 -0.00324 -0.02004 -0.02311 3.13192 D32 0.00514 -0.00034 0.01053 -0.02551 -0.01481 -0.00967 D33 3.11722 0.00123 0.01610 0.00044 0.01664 3.13386 D34 -0.00430 0.00036 0.00442 0.00587 0.01034 0.00604 D35 -0.01716 0.00100 0.00414 0.00521 0.00942 -0.00774 D36 -3.13868 0.00013 -0.00754 0.01064 0.00312 -3.13556 D37 0.00916 -0.00040 -0.02180 0.03699 0.01514 0.02430 D38 3.10281 0.00185 0.03720 0.02163 0.05849 -3.12189 D39 -3.09919 0.00062 -0.02309 -0.00433 -0.02783 -3.12702 D40 -0.01957 0.00097 0.02459 -0.03428 -0.00989 -0.02946 D41 0.09029 -0.00179 -0.08193 0.01104 -0.07116 0.01913 D42 -3.11328 -0.00144 -0.03425 -0.01891 -0.05322 3.11669 D43 3.10608 -0.00122 0.02739 -0.01169 0.01517 3.12125 D44 -0.05494 -0.00035 0.03875 -0.01698 0.02137 -0.03357 D45 0.02098 -0.00112 -0.01581 0.01536 -0.00038 0.02060 D46 -3.14004 -0.00025 -0.00445 0.01007 0.00582 -3.13422 D47 -0.03514 0.00139 0.01989 0.00480 0.02456 -0.01058 D48 3.12997 0.00039 0.00625 0.01115 0.01723 -3.13598 D49 3.10179 0.00318 0.03243 0.02028 0.05198 -3.12941 D50 0.04832 -0.00210 -0.02539 -0.01176 -0.03719 0.01113 D51 -3.09173 -0.00234 -0.04081 -0.01802 -0.05937 3.13209 D52 0.05084 -0.00234 -0.03516 -0.02006 -0.05571 -0.00486 D53 -0.02597 0.00119 0.00806 0.00922 0.01741 -0.00856 D54 3.11660 0.00119 0.01371 0.00718 0.02107 3.13767 D55 -0.00389 -0.00173 -0.03375 -0.01141 -0.04518 -0.04908 D56 -2.97350 -0.00232 0.00704 -0.02875 -0.02163 -2.99514 D57 3.08859 0.00195 0.00761 0.01430 0.02184 3.11043 D58 0.11898 0.00135 0.04840 -0.00304 0.04539 0.16437 D59 3.08621 -0.00011 0.00713 -0.02732 -0.02021 3.06600 D60 0.99726 -0.00030 0.00687 -0.02817 -0.02131 0.97595 D61 -1.10292 0.00022 0.00994 -0.02720 -0.01726 -1.12018 D62 -0.22146 -0.00038 -0.03428 -0.01100 -0.04528 -0.26674 D63 -2.31041 -0.00058 -0.03454 -0.01185 -0.04637 -2.35678 D64 1.87261 -0.00006 -0.03146 -0.01087 -0.04233 1.83028 D65 -2.57121 0.00144 0.07796 0.03903 0.11705 -2.45416 D66 1.62169 0.00033 0.06285 0.04219 0.10507 1.72676 D67 -0.48679 0.00022 0.06310 0.04545 0.10852 -0.37827 D68 0.73918 0.00151 0.11978 0.02220 0.14200 0.88119 D69 -1.35111 0.00040 0.10466 0.02536 0.13002 -1.22108 D70 2.82360 0.00030 0.10491 0.02862 0.13347 2.95707 Item Value Threshold Converged? Maximum Force 0.017823 0.000450 NO RMS Force 0.003693 0.000300 NO Maximum Displacement 0.324425 0.001800 NO RMS Displacement 0.084789 0.001200 NO Predicted change in Energy=-7.136348D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.194723 -4.813642 2.252227 2 6 0 7.166979 -4.985743 3.765074 3 8 0 7.422998 -5.992855 1.566723 4 7 0 7.675260 0.090371 0.359868 5 8 0 3.293617 -0.914614 -0.068177 6 6 0 4.342805 -1.345019 0.306519 7 6 0 4.677936 -2.616080 0.886510 8 7 0 3.886740 -3.705817 1.175171 9 6 0 4.692554 -4.555181 1.662239 10 7 0 5.993801 -4.121662 1.762312 11 6 0 5.973409 -2.863961 1.237519 12 7 0 7.045285 -2.048482 1.121306 13 6 0 6.758846 -0.900195 0.594228 14 7 0 5.504849 -0.556786 0.214053 15 1 0 7.995795 -4.148163 1.983016 16 1 0 8.099691 -5.433925 4.086800 17 1 0 7.056438 -4.022223 4.248941 18 6 0 8.912029 -0.215905 0.504460 19 35 0 4.161842 -6.266811 2.212970 20 1 0 5.383570 0.352070 -0.179211 21 1 0 6.349350 -5.619779 4.081762 22 1 0 6.840193 -6.677216 1.866566 23 7 0 9.883867 0.676249 0.374589 24 1 0 9.226774 -1.215295 0.757155 25 6 0 9.558009 2.042074 -0.003326 26 6 0 11.273585 0.266029 0.365274 27 1 0 10.463072 2.632185 0.016782 28 1 0 8.843228 2.460026 0.690842 29 1 0 9.130510 2.078556 -0.998068 30 1 0 11.870625 0.979586 0.918245 31 1 0 11.661324 0.199419 -0.646671 32 1 0 11.376294 -0.700213 0.840301 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522857 0.000000 3 O 1.382956 2.431577 0.000000 4 N 5.278379 6.133573 6.206913 0.000000 5 O 5.983756 6.802268 6.746349 4.515752 0.000000 6 C 4.893932 5.761288 5.716475 3.628836 1.194337 7 C 3.609526 4.482942 4.404618 4.072614 2.392228 8 N 3.651039 4.371016 4.229537 5.424818 3.112639 9 C 2.583746 3.275680 3.087290 5.672201 4.266742 10 N 1.470058 2.476700 2.362673 4.747144 4.574586 11 C 2.514457 3.509288 3.464052 3.520603 3.561753 12 N 2.991225 3.953709 3.987372 2.356130 4.095796 13 C 4.272472 5.187729 5.227047 1.369658 3.528002 14 N 5.013048 5.915072 5.921136 2.269528 2.257707 15 H 1.075664 2.136400 1.975926 4.550003 6.064134 16 H 2.137609 1.083663 2.668540 6.677425 7.796560 17 H 2.152286 1.083844 3.348440 5.693968 6.515641 18 C 5.209896 6.035574 6.059601 1.282307 5.690577 19 Br 3.363273 3.616768 3.335839 7.496122 5.882470 20 H 5.989720 6.872422 6.889530 2.368741 2.446369 21 H 2.170647 1.082040 2.759951 6.943799 6.978401 22 H 1.935803 2.563631 0.947586 6.983388 7.037686 23 N 6.394992 7.136878 7.207913 2.285042 6.793989 24 H 4.394608 5.244675 5.170502 2.066349 5.997828 25 C 7.594306 8.325147 8.460698 2.736019 6.927397 26 C 6.782386 7.483579 7.446081 3.602614 8.078471 27 H 8.433247 9.107510 9.275542 3.788195 7.999256 28 H 7.619826 8.228012 8.615998 2.662510 6.539304 29 H 7.862193 8.743414 8.639526 2.813293 6.625186 30 H 7.563403 8.112575 8.295592 4.324763 8.838897 31 H 7.313338 8.157728 7.823475 4.112629 8.461338 32 H 6.033189 6.681197 6.645923 3.814904 8.136398 6 7 8 9 10 6 C 0.000000 7 C 1.436767 0.000000 8 N 2.556544 1.377259 0.000000 9 C 3.502205 2.088559 1.268066 0.000000 10 N 3.543284 2.182957 2.226515 1.375208 0.000000 11 C 2.415123 1.364882 2.250955 2.163609 1.362950 12 N 2.908976 2.445739 3.567362 3.480157 2.411344 13 C 2.473438 2.712909 4.056846 4.332335 3.511062 14 N 1.407198 2.318766 3.668571 4.329460 3.917207 15 H 4.900265 3.815468 4.211012 3.343646 2.014298 16 H 6.717430 5.467221 5.404896 4.273087 3.400008 17 H 5.483970 4.352063 4.426643 3.544435 2.705996 18 C 4.710827 4.882044 6.154907 6.162284 5.035195 19 Br 5.281225 3.918377 2.776941 1.874736 2.856716 20 H 2.049204 3.231656 4.532251 5.286733 4.914892 21 H 6.045846 4.693129 4.263329 3.119685 2.783993 22 H 6.091225 4.704114 4.246190 3.026077 2.694088 23 N 5.898604 6.180875 7.470540 7.481687 6.330746 24 H 4.906430 4.761393 5.907064 5.703786 4.461998 25 C 6.226296 6.804802 8.160294 8.364839 7.335714 26 C 7.115802 7.216705 8.425970 8.260518 7.005688 27 H 7.304777 7.859295 9.206535 9.362940 8.284667 28 H 5.905920 6.569232 7.925842 8.208827 7.251614 29 H 6.028676 6.739188 8.104262 8.413034 7.476720 30 H 7.902283 8.041431 9.260747 9.094607 7.827659 31 H 7.540197 7.684100 8.888989 8.746487 7.523015 32 H 7.083125 6.967114 8.077079 7.759429 6.444195 11 12 13 14 15 11 C 0.000000 12 N 1.351825 0.000000 13 C 2.210681 1.295539 0.000000 14 N 2.567117 2.328349 1.354611 0.000000 15 H 2.508981 2.460624 3.742736 4.715085 0.000000 16 H 4.386819 4.622461 5.877978 6.746692 2.467769 17 H 3.403408 3.698362 4.815864 5.540488 2.456149 18 C 4.023067 2.687670 2.261087 3.436483 4.299799 19 Br 3.976514 5.224966 6.177808 6.197073 4.386427 20 H 3.563410 3.196137 2.014388 0.997690 5.634806 21 H 3.978138 4.690713 5.882605 6.426994 3.046501 22 H 3.960799 4.692830 5.916031 6.478704 2.783000 23 N 5.345037 4.004909 3.507019 4.552137 5.424648 24 H 3.678754 2.363409 2.493292 3.818550 3.408777 25 C 6.201471 4.930642 4.104795 4.819693 6.686188 26 C 6.216873 4.879248 4.668551 5.829083 5.731150 27 H 7.201034 5.899990 5.150966 5.898511 7.478412 28 H 6.072854 4.872838 3.955386 4.524739 6.786459 29 H 6.276433 5.086487 4.127125 4.643241 6.996175 30 H 7.046414 5.700380 5.456085 6.586307 6.514741 31 H 6.729550 5.430158 5.175256 6.262178 6.265207 32 H 5.833588 4.544714 4.628323 5.906490 4.962048 16 17 18 19 20 16 H 0.000000 17 H 1.762829 0.000000 18 C 6.381284 5.652647 0.000000 19 Br 4.439773 4.190708 7.880149 0.000000 20 H 7.684653 6.445267 3.638685 7.143160 0.000000 21 H 1.760187 1.755023 6.968950 2.948936 7.399433 22 H 2.839287 3.573718 6.920721 2.731665 7.464437 23 N 7.368719 6.714209 1.325622 9.182989 4.545818 24 H 5.491238 4.978130 1.077821 7.300051 4.254836 25 C 8.645599 7.817630 2.402833 10.152249 4.506994 26 C 7.510847 7.159351 2.414245 9.832032 5.915754 27 H 9.338776 8.590546 3.279509 11.122988 5.571237 28 H 8.625534 7.607381 2.683296 10.019478 4.143635 29 H 9.129941 8.309776 2.751340 10.229544 4.206048 30 H 8.086582 7.699872 3.217717 10.658889 6.609090 31 H 8.174689 7.936892 3.009355 10.306886 6.296984 32 H 6.609380 6.427732 2.533761 9.215180 6.169234 21 22 23 24 25 21 H 0.000000 22 H 2.503236 0.000000 23 N 8.116398 8.097123 0.000000 24 H 6.223509 6.062932 2.038643 0.000000 25 C 9.256751 9.322502 1.454126 3.361324 0.000000 26 C 8.526612 8.373619 1.449028 2.556819 2.496679 27 H 10.076789 10.159326 2.071036 4.108489 1.080636 28 H 9.110490 9.427814 2.089212 3.695875 1.080493 29 H 9.633477 9.492904 2.101951 3.733567 1.083327 30 H 9.167548 9.210384 2.082014 3.439971 2.706726 31 H 9.189027 8.766286 2.104683 3.146295 2.869356 32 H 7.744634 7.573242 2.082996 2.211935 3.396764 26 27 28 29 30 26 C 0.000000 27 H 2.525287 0.000000 28 H 3.290327 1.762921 0.000000 29 H 3.120373 1.764128 1.755126 0.000000 30 H 1.082312 2.350516 3.377654 3.519691 0.000000 31 H 1.085731 2.791832 3.852395 3.171696 1.761088 32 H 1.081584 3.552046 4.052884 4.018047 1.752759 31 32 31 H 0.000000 32 H 1.761155 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.269182 -1.942897 0.039127 2 6 0 -1.779693 -2.501079 1.360832 3 8 0 -1.919450 -2.460172 -1.066381 4 7 0 3.352708 0.606065 0.086144 5 8 0 0.216374 3.853208 -0.021050 6 6 0 0.368362 2.668774 0.000350 7 6 0 -0.595092 1.602915 0.000421 8 7 0 -1.971597 1.639327 -0.026970 9 6 0 -2.315328 0.418740 -0.024025 10 7 0 -1.269911 -0.472849 0.034015 11 6 0 -0.155110 0.311273 0.031733 12 7 0 1.118208 -0.141013 0.070841 13 6 0 1.998413 0.809582 0.065467 14 7 0 1.664504 2.122091 0.037245 15 1 0 -0.229777 -2.194232 -0.077157 16 1 0 -1.694115 -3.581238 1.344747 17 1 0 -1.188067 -2.115332 2.182960 18 6 0 3.762362 -0.597033 -0.084296 19 35 0 -4.104408 -0.138046 -0.085812 20 1 0 2.414159 2.780422 0.038891 21 1 0 -2.814492 -2.237038 1.534857 22 1 0 -2.859751 -2.406236 -0.962245 23 7 0 5.044356 -0.926837 -0.013627 24 1 0 3.081446 -1.409813 -0.277790 25 6 0 6.040647 0.109486 0.205278 26 6 0 5.492686 -2.253206 -0.387029 27 1 0 7.009387 -0.357967 0.309220 28 1 0 5.811811 0.661823 1.105291 29 1 0 6.067322 0.804533 -0.625262 30 1 0 6.262368 -2.586585 0.296964 31 1 0 5.894722 -2.267376 -1.395482 32 1 0 4.667638 -2.950470 -0.332790 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5668241 0.1452998 0.1187766 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1841.2584756353 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.38D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 -0.000531 0.000740 -0.000241 Ang= -0.11 deg. B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999987 0.005009 -0.000749 -0.000255 Ang= 0.58 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) = -3432.58044923 A.U. after 13 cycles NFock= 13 Conv=0.54D-08 -V/T= 2.0037 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 -0.001189563 0.002379707 -0.000267527 2 6 0.000109556 0.000034187 -0.000445293 3 8 0.002072870 0.000457492 0.000211623 4 7 -0.000307614 0.000867790 -0.000335455 5 8 -0.000017634 -0.000171198 -0.000250690 6 6 0.000376157 0.002065004 0.000541329 7 6 -0.001265992 -0.001419083 0.001173193 8 7 -0.000441524 0.000037019 -0.003495425 9 6 -0.000163950 0.001031222 0.003437650 10 7 0.000503219 -0.003957741 -0.001147823 11 6 0.000306420 0.000169154 0.000779511 12 7 -0.000064355 -0.000438463 0.000792554 13 6 0.001272749 -0.000315994 -0.001622203 14 7 -0.002582178 -0.000321483 -0.000095913 15 1 0.000924957 -0.001055143 -0.000128840 16 1 0.000135525 -0.000225887 0.000095999 17 1 0.000169994 -0.000042525 -0.000257509 18 6 0.000752668 0.000067931 0.003156951 19 35 0.000455716 0.000655185 0.000187150 20 1 0.000327771 0.000101014 -0.000067505 21 1 -0.000538090 -0.000485322 0.000002004 22 1 -0.001310823 0.000350769 0.000113075 23 7 0.000055511 0.000376804 -0.001468643 24 1 -0.000114502 -0.000162912 -0.000486993 25 6 -0.000122978 0.000254362 -0.000157291 26 6 0.000581854 -0.000361179 0.000082711 27 1 -0.000028045 0.000092858 0.000145479 28 1 -0.000160701 -0.000198273 -0.000081218 29 1 0.000158766 0.000095278 -0.000217007 30 1 -0.000029421 -0.000154345 0.000294728 31 1 0.000318584 0.000298622 -0.000000367 32 1 -0.000184948 -0.000024847 -0.000488255 ------------------------------------------------------------------- Cartesian Forces: Max 0.003957741 RMS 0.001008760 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001617120 RMS 0.000516768 Search for a local minimum. Step number 20 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 19 18 20 DE= -5.84D-04 DEPred=-7.14D-04 R= 8.19D-01 TightC=F SS= 1.41D+00 RLast= 2.75D-01 DXNew= 7.5048D-01 8.2523D-01 Trust test= 8.19D-01 RLast= 2.75D-01 DXMaxT set to 7.50D-01 ITU= 1 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00305 0.00526 0.01023 0.01135 0.01262 Eigenvalues --- 0.01362 0.01666 0.01686 0.01747 0.01880 Eigenvalues --- 0.01922 0.02063 0.02192 0.02248 0.02430 Eigenvalues --- 0.02551 0.02659 0.03221 0.03374 0.04996 Eigenvalues --- 0.05460 0.05555 0.05875 0.06047 0.07130 Eigenvalues --- 0.07559 0.07639 0.07808 0.07829 0.08730 Eigenvalues --- 0.15428 0.15649 0.15976 0.15997 0.16000 Eigenvalues --- 0.16004 0.16017 0.16036 0.16077 0.16171 Eigenvalues --- 0.16485 0.17082 0.18810 0.19412 0.21314 Eigenvalues --- 0.22225 0.23506 0.23697 0.24576 0.24755 Eigenvalues --- 0.24799 0.24936 0.25138 0.25335 0.25943 Eigenvalues --- 0.28517 0.30041 0.32074 0.33008 0.33687 Eigenvalues --- 0.33738 0.33743 0.33756 0.33777 0.33843 Eigenvalues --- 0.33849 0.33955 0.34303 0.34769 0.36295 Eigenvalues --- 0.38242 0.39467 0.40740 0.41157 0.41616 Eigenvalues --- 0.43641 0.44527 0.45895 0.47759 0.48146 Eigenvalues --- 0.48659 0.50473 0.51886 0.55635 0.58421 Eigenvalues --- 0.61597 0.70184 0.71587 0.77769 0.87722 RFO step: Lambda=-5.69564697D-04 EMin= 3.04891285D-03 Quartic linear search produced a step of -0.04800. Iteration 1 RMS(Cart)= 0.02938915 RMS(Int)= 0.00058467 Iteration 2 RMS(Cart)= 0.00060340 RMS(Int)= 0.00003015 Iteration 3 RMS(Cart)= 0.00000045 RMS(Int)= 0.00003015 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87778 -0.00052 -0.00008 -0.00351 -0.00359 2.87419 R2 2.61341 -0.00072 -0.00060 0.00639 0.00579 2.61920 R3 2.77801 -0.00058 0.00068 -0.00285 -0.00217 2.77584 R4 2.03271 0.00007 -0.00008 0.00020 0.00012 2.03283 R5 2.04783 0.00024 0.00001 -0.00020 -0.00019 2.04763 R6 2.04817 -0.00017 -0.00002 -0.00003 -0.00005 2.04812 R7 2.04476 0.00069 0.00011 0.00096 0.00107 2.04583 R8 1.79068 0.00059 0.00003 -0.00039 -0.00036 1.79032 R9 2.58828 0.00137 0.00010 0.00012 0.00023 2.58850 R10 2.42321 0.00120 -0.00002 0.00140 0.00139 2.42460 R11 2.25697 0.00003 -0.00003 0.00011 0.00008 2.25705 R12 2.71510 0.00135 -0.00017 0.00284 0.00266 2.71776 R13 2.65922 -0.00064 0.00040 -0.00119 -0.00078 2.65844 R14 2.60264 -0.00056 -0.00003 -0.00112 -0.00114 2.60150 R15 2.57925 0.00114 0.00008 0.00202 0.00211 2.58136 R16 2.39630 0.00124 0.00014 0.00082 0.00095 2.39725 R17 2.59877 -0.00018 -0.00027 -0.00136 -0.00165 2.59711 R18 3.54274 -0.00067 -0.00003 -0.00378 -0.00381 3.53892 R19 2.57560 0.00075 -0.00002 0.00186 0.00183 2.57744 R20 2.55458 0.00069 -0.00005 0.00060 0.00054 2.55512 R21 2.44821 0.00124 0.00022 0.00055 0.00077 2.44899 R22 2.55984 0.00162 -0.00023 0.00362 0.00341 2.56325 R23 1.88536 0.00008 0.00000 0.00005 0.00005 1.88541 R24 2.50506 0.00087 0.00017 -0.00047 -0.00030 2.50476 R25 2.03679 0.00000 -0.00009 -0.00007 -0.00015 2.03663 R26 2.74790 0.00034 -0.00004 0.00118 0.00114 2.74904 R27 2.73827 0.00073 -0.00010 0.00200 0.00190 2.74017 R28 2.04211 0.00003 0.00005 0.00012 0.00016 2.04227 R29 2.04184 -0.00002 -0.00001 -0.00003 -0.00004 2.04179 R30 2.04719 0.00014 -0.00002 0.00057 0.00056 2.04775 R31 2.04527 0.00003 0.00006 -0.00018 -0.00012 2.04515 R32 2.05173 0.00010 0.00002 0.00029 0.00031 2.05204 R33 2.04390 -0.00021 -0.00003 -0.00012 -0.00015 2.04374 A1 1.98130 -0.00019 -0.00005 -0.00702 -0.00708 1.97422 A2 1.94914 -0.00056 -0.00053 -0.00371 -0.00424 1.94491 A3 1.90934 0.00022 0.00055 0.00108 0.00164 1.91098 A4 1.95090 0.00016 0.00006 0.00407 0.00410 1.95501 A5 1.85515 -0.00052 -0.00043 -0.00125 -0.00170 1.85345 A6 1.80674 0.00103 0.00048 0.00839 0.00886 1.81559 A7 1.90286 0.00014 0.00045 -0.00569 -0.00524 1.89762 A8 1.92292 -0.00024 -0.00006 -0.00136 -0.00143 1.92150 A9 1.95060 -0.00026 -0.00045 0.00396 0.00350 1.95411 A10 1.89960 0.00007 0.00019 0.00099 0.00116 1.90076 A11 1.89773 0.00002 0.00011 -0.00178 -0.00166 1.89607 A12 1.88934 0.00028 -0.00022 0.00389 0.00367 1.89301 A13 1.93633 -0.00150 -0.00032 -0.00129 -0.00161 1.93472 A14 2.04125 0.00122 0.00048 -0.00204 -0.00155 2.03969 A15 2.27885 -0.00026 0.00024 -0.00244 -0.00219 2.27666 A16 2.09781 -0.00006 -0.00027 0.00191 0.00164 2.09945 A17 1.90652 0.00032 0.00003 0.00051 0.00053 1.90704 A18 2.27916 -0.00004 0.00005 -0.00072 -0.00062 2.27854 A19 2.07816 -0.00019 -0.00012 -0.00025 -0.00037 2.07779 A20 1.92587 0.00023 0.00007 0.00097 0.00099 1.92686 A21 1.81875 -0.00046 -0.00008 -0.00171 -0.00193 1.81683 A22 2.00214 0.00073 0.00001 0.00344 0.00323 2.00537 A23 2.14657 0.00025 0.00003 0.00130 0.00127 2.14784 A24 2.13447 -0.00097 -0.00005 -0.00463 -0.00473 2.12974 A25 2.27687 0.00023 -0.00023 0.00092 0.00074 2.27761 A26 2.18329 0.00030 0.00011 0.00096 0.00112 2.18441 A27 1.82215 -0.00052 0.00015 -0.00157 -0.00153 1.82062 A28 1.85543 0.00005 -0.00014 -0.00016 -0.00038 1.85506 A29 2.24072 -0.00022 0.00014 -0.00023 -0.00008 2.24064 A30 2.18695 0.00017 0.00001 0.00043 0.00050 2.18744 A31 1.97615 0.00034 0.00004 0.00011 0.00014 1.97628 A32 2.16845 0.00069 0.00016 -0.00371 -0.00355 2.16490 A33 1.96928 -0.00014 -0.00000 0.00324 0.00324 1.97252 A34 2.14546 -0.00055 -0.00017 0.00046 0.00030 2.14576 A35 2.21931 0.00029 0.00009 -0.00062 -0.00053 2.21879 A36 2.02171 0.00016 -0.00025 0.00221 0.00196 2.02367 A37 2.04215 -0.00046 0.00016 -0.00159 -0.00143 2.04072 A38 2.13565 -0.00022 -0.00008 0.00098 0.00089 2.13653 A39 2.12887 -0.00005 -0.00007 0.00008 -0.00000 2.12886 A40 2.01852 0.00028 0.00016 -0.00091 -0.00076 2.01776 A41 2.08669 -0.00009 -0.00007 0.00067 0.00053 2.08722 A42 2.10972 -0.00002 0.00004 -0.00042 -0.00046 2.10926 A43 2.07049 0.00013 -0.00013 0.00378 0.00358 2.07407 A44 1.89695 0.00009 -0.00008 0.00091 0.00082 1.89777 A45 1.92261 -0.00022 -0.00018 -0.00038 -0.00056 1.92206 A46 1.93767 0.00011 0.00004 -0.00041 -0.00037 1.93730 A47 1.90802 0.00006 0.00010 0.00005 0.00014 1.90816 A48 1.90625 -0.00008 0.00003 0.00005 0.00007 1.90633 A49 1.89214 0.00003 0.00010 -0.00021 -0.00011 1.89203 A50 1.91678 -0.00001 -0.00010 0.00077 0.00067 1.91745 A51 1.94536 0.00031 0.00019 -0.00056 -0.00038 1.94498 A52 1.91895 -0.00021 -0.00029 0.00048 0.00019 1.91913 A53 1.89615 -0.00011 0.00011 -0.00073 -0.00063 1.89552 A54 1.88831 0.00009 -0.00008 0.00206 0.00198 1.89029 A55 1.89719 -0.00008 0.00018 -0.00197 -0.00179 1.89540 D1 0.98720 -0.00014 -0.00023 -0.00671 -0.00696 0.98023 D2 3.07077 -0.00011 0.00024 -0.00983 -0.00960 3.06117 D3 -1.11115 -0.00009 -0.00038 -0.00322 -0.00361 -1.11477 D4 -3.07111 -0.00057 -0.00063 -0.01015 -0.01077 -3.08188 D5 -0.98753 -0.00054 -0.00016 -0.01326 -0.01342 -1.00095 D6 1.11373 -0.00052 -0.00078 -0.00666 -0.00743 1.10630 D7 -1.08154 0.00049 -0.00003 -0.00141 -0.00144 -1.08298 D8 1.00204 0.00052 0.00044 -0.00452 -0.00408 0.99796 D9 3.10330 0.00054 -0.00018 0.00208 0.00191 3.10521 D10 0.87362 0.00030 -0.00567 0.07956 0.07387 0.94749 D11 -1.35034 0.00110 -0.00496 0.08705 0.08209 -1.26825 D12 2.97330 0.00010 -0.00532 0.07590 0.07059 3.04389 D13 -1.25404 0.00089 -0.00103 0.05421 0.05319 -1.20086 D14 1.93968 0.00034 -0.00286 0.04500 0.04214 1.98181 D15 0.98710 0.00030 -0.00148 0.04498 0.04349 1.03059 D16 -2.10236 -0.00026 -0.00331 0.03577 0.03244 -2.06992 D17 2.97681 0.00032 -0.00170 0.04989 0.04822 3.02503 D18 -0.11265 -0.00023 -0.00352 0.04068 0.03717 -0.07549 D19 0.17276 0.00006 -0.00074 0.00073 -0.00001 0.17275 D20 -2.96788 -0.00054 -0.00198 -0.00296 -0.00494 -2.97282 D21 -3.07776 -0.00068 -0.00083 -0.00969 -0.01052 -3.08829 D22 0.04479 0.00018 0.00037 0.00028 0.00065 0.04544 D23 0.00269 0.00004 -0.00038 0.00804 0.00766 0.01034 D24 -3.13892 -0.00015 -0.00070 0.00671 0.00602 -3.13290 D25 3.14004 0.00039 0.00066 0.00240 0.00306 -3.14009 D26 -0.00157 0.00020 0.00035 0.00107 0.00142 -0.00015 D27 3.14079 0.00023 0.00087 -0.00592 -0.00505 3.13575 D28 -0.00539 0.00022 0.00077 -0.00564 -0.00487 -0.01026 D29 0.00293 -0.00008 -0.00004 -0.00095 -0.00098 0.00195 D30 3.13993 -0.00009 -0.00014 -0.00067 -0.00081 3.13912 D31 3.13192 0.00072 0.00095 0.01624 0.01717 -3.13410 D32 -0.00967 0.00090 0.00124 0.01748 0.01870 0.00903 D33 3.13386 0.00000 0.00001 0.00310 0.00310 3.13696 D34 0.00604 -0.00011 -0.00027 -0.00008 -0.00035 0.00569 D35 -0.00774 -0.00015 -0.00024 0.00203 0.00177 -0.00597 D36 -3.13556 -0.00027 -0.00053 -0.00116 -0.00168 -3.13724 D37 0.02430 -0.00132 -0.00183 -0.03135 -0.03321 -0.00891 D38 -3.12189 -0.00052 -0.00093 -0.00458 -0.00545 -3.12733 D39 -3.12702 0.00078 0.00017 0.02537 0.02556 -3.10146 D40 -0.02946 0.00126 0.00172 0.03320 0.03493 0.00547 D41 0.01913 -0.00003 -0.00072 -0.00121 -0.00190 0.01723 D42 3.11669 0.00046 0.00083 0.00661 0.00747 3.12416 D43 3.12125 -0.00015 0.00065 -0.01191 -0.01124 3.11002 D44 -0.03357 -0.00004 0.00093 -0.00886 -0.00792 -0.04149 D45 0.02060 -0.00059 -0.00078 -0.01920 -0.01994 0.00066 D46 -3.13422 -0.00049 -0.00050 -0.01614 -0.01663 3.13234 D47 -0.01058 -0.00013 -0.00018 -0.00120 -0.00138 -0.01196 D48 -3.13598 -0.00027 -0.00051 -0.00494 -0.00544 -3.14142 D49 -3.12941 -0.00039 -0.00086 -0.00269 -0.00353 -3.13294 D50 0.01113 0.00026 0.00050 0.00137 0.00188 0.01301 D51 3.13209 0.00042 0.00079 0.00330 0.00411 3.13619 D52 -0.00486 0.00043 0.00090 0.00301 0.00392 -0.00095 D53 -0.00856 -0.00017 -0.00043 -0.00033 -0.00076 -0.00932 D54 3.13767 -0.00016 -0.00032 -0.00062 -0.00095 3.13672 D55 -0.04908 0.00054 0.00047 0.01289 0.01334 -0.03573 D56 -2.99514 0.00035 0.00139 -0.01148 -0.01008 -3.00522 D57 3.11043 -0.00027 -0.00066 0.00350 0.00283 3.11326 D58 0.16437 -0.00046 0.00026 -0.02087 -0.02059 0.14378 D59 3.06600 -0.00030 0.00133 -0.03671 -0.03539 3.03061 D60 0.97595 -0.00030 0.00137 -0.03710 -0.03574 0.94021 D61 -1.12018 -0.00027 0.00133 -0.03632 -0.03500 -1.15518 D62 -0.26674 -0.00013 0.00044 -0.01334 -0.01289 -0.27963 D63 -2.35678 -0.00013 0.00048 -0.01373 -0.01324 -2.37002 D64 1.83028 -0.00010 0.00044 -0.01295 -0.01250 1.81778 D65 -2.45416 0.00048 -0.00168 0.04839 0.04671 -2.40745 D66 1.72676 0.00043 -0.00187 0.04916 0.04729 1.77405 D67 -0.37827 0.00046 -0.00202 0.05169 0.04967 -0.32861 D68 0.88119 0.00032 -0.00077 0.02457 0.02379 0.90498 D69 -1.22108 0.00026 -0.00096 0.02534 0.02438 -1.19671 D70 2.95707 0.00030 -0.00111 0.02787 0.02675 2.98383 Item Value Threshold Converged? Maximum Force 0.001617 0.000450 NO RMS Force 0.000517 0.000300 NO Maximum Displacement 0.158768 0.001800 NO RMS Displacement 0.029534 0.001200 NO Predicted change in Energy=-3.013591D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.204304 -4.803269 2.259754 2 6 0 7.156782 -5.017633 3.764780 3 8 0 7.452831 -5.968611 1.551751 4 7 0 7.672564 0.095216 0.349299 5 8 0 3.287889 -0.923864 -0.070000 6 6 0 4.340316 -1.348133 0.302749 7 6 0 4.679279 -2.614992 0.893101 8 7 0 3.891154 -3.704604 1.187686 9 6 0 4.696904 -4.538835 1.701589 10 7 0 6.001105 -4.112151 1.777710 11 6 0 5.976508 -2.856094 1.246678 12 7 0 7.045954 -2.037883 1.124136 13 6 0 6.756253 -0.895015 0.586171 14 7 0 5.499657 -0.557572 0.202825 15 1 0 8.006745 -4.128691 2.018449 16 1 0 8.087492 -5.473761 4.080743 17 1 0 7.041253 -4.067244 4.272791 18 6 0 8.909150 -0.210073 0.503723 19 35 0 4.173340 -6.240698 2.281775 20 1 0 5.377412 0.347859 -0.198034 21 1 0 6.338443 -5.663773 4.056081 22 1 0 6.828742 -6.643003 1.782549 23 7 0 9.883213 0.677559 0.361713 24 1 0 9.222380 -1.207565 0.765293 25 6 0 9.560638 2.042229 -0.025408 26 6 0 11.273250 0.265057 0.377327 27 1 0 10.461214 2.637945 0.019825 28 1 0 8.824167 2.455616 0.648489 29 1 0 9.160613 2.076098 -1.031920 30 1 0 11.858365 0.966198 0.958102 31 1 0 11.684724 0.218408 -0.626503 32 1 0 11.363359 -0.711721 0.832775 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520958 0.000000 3 O 1.386021 2.426829 0.000000 4 N 5.278661 6.170313 6.185804 0.000000 5 O 5.984634 6.814163 6.739903 4.521029 0.000000 6 C 4.895944 5.777835 5.709341 3.631707 1.194382 7 C 3.609992 4.489682 4.401496 4.074396 2.392372 8 N 3.651487 4.362314 4.236013 5.425918 3.110983 9 C 2.582349 3.246075 3.108351 5.670773 4.265192 10 N 1.468911 2.470614 2.367490 4.747217 4.576106 11 C 2.515014 3.522234 3.458375 3.520245 3.563120 12 N 2.993671 3.982988 3.974799 2.354384 4.097566 13 C 4.275053 5.221107 5.211424 1.369777 3.530006 14 N 5.016246 5.943545 5.908793 2.273568 2.258433 15 H 1.075730 2.135960 1.977355 4.554024 6.074548 16 H 2.132037 1.083562 2.653954 6.716349 7.808100 17 H 2.149567 1.083818 3.344944 5.754860 6.544342 18 C 5.204575 6.067777 6.031583 1.283041 5.695369 19 Br 3.354613 3.549101 3.370760 7.491517 5.880781 20 H 5.992694 6.903518 6.875093 2.372998 2.449445 21 H 2.171860 1.082604 2.757980 6.977540 6.985496 22 H 1.937367 2.584314 0.947396 6.940449 6.976971 23 N 6.388943 7.172831 7.175968 2.286099 6.800679 24 H 4.385788 5.270696 5.139784 2.066935 5.999699 25 C 7.591780 8.365745 8.432309 2.737899 6.938809 26 C 6.766667 7.505128 7.404964 3.604799 8.085766 27 H 8.425937 9.140669 9.244997 3.788218 8.009441 28 H 7.609964 8.266855 8.582776 2.643330 6.525909 29 H 7.873243 8.794583 8.620279 2.836538 6.664379 30 H 7.526044 8.111015 8.237277 4.318586 8.836424 31 H 7.322697 8.197667 7.805954 4.130956 8.492427 32 H 6.006228 6.695731 6.591210 3.808788 8.128544 6 7 8 9 10 6 C 0.000000 7 C 1.438174 0.000000 8 N 2.556916 1.376654 0.000000 9 C 3.502069 2.086895 1.268570 0.000000 10 N 3.545917 2.184317 2.228478 1.374334 0.000000 11 C 2.417038 1.365997 2.252143 2.162393 1.363920 12 N 2.910483 2.446953 3.568579 3.479403 2.412769 13 C 2.474348 2.714102 4.057635 4.331570 3.512831 14 N 1.406785 2.320017 3.668929 4.329106 3.920044 15 H 4.910991 3.824882 4.219965 3.350174 2.020104 16 H 6.733155 5.472616 5.395270 4.246239 3.392780 17 H 5.518139 4.371528 4.424082 3.511331 2.703581 18 C 4.712729 4.881297 6.153035 6.157603 5.030505 19 Br 5.280305 3.915371 2.776406 1.872718 2.850530 20 H 2.050059 3.233644 4.533392 5.286912 4.917748 21 H 6.058445 4.695990 4.249147 3.082818 2.777103 22 H 6.034710 4.651470 4.197317 2.996466 2.662746 23 N 5.901747 6.180954 7.469294 7.476886 6.325910 24 H 4.905941 4.757830 5.902168 5.696836 4.454012 25 C 6.233298 6.808893 8.163377 8.363541 7.334705 26 C 7.118533 7.213955 8.420821 8.251022 6.994035 27 H 7.309873 7.860453 9.206384 9.357444 8.279283 28 H 5.890073 6.553701 7.910351 8.189362 7.237429 29 H 6.061514 6.767155 8.130828 8.435289 7.494727 30 H 7.893458 8.022994 9.238266 9.063371 7.795440 31 H 7.566894 7.708022 8.911848 8.768181 7.539066 32 H 7.071710 6.950036 8.057118 7.735842 6.419470 11 12 13 14 15 11 C 0.000000 12 N 1.352110 0.000000 13 C 2.211358 1.295948 0.000000 14 N 2.569089 2.330487 1.356413 0.000000 15 H 2.517339 2.468683 3.751242 4.725979 0.000000 16 H 4.397767 4.650977 5.911780 6.775253 2.463491 17 H 3.428983 3.745979 4.871902 5.590969 2.453163 18 C 4.019180 2.682779 2.260732 3.440340 4.297011 19 Br 3.972201 5.220698 6.174370 6.195084 4.384622 20 H 3.565309 3.197488 2.015171 0.997716 5.644971 21 H 3.988333 4.716349 5.912351 6.451699 3.048221 22 H 3.918436 4.657018 5.871622 6.426077 2.786593 23 N 5.341556 4.000619 3.507313 4.557012 5.419036 24 H 3.672202 2.356910 2.492299 3.820671 3.403109 25 C 6.201432 4.928732 4.106824 4.827279 6.683726 26 C 6.209093 4.871477 4.668259 5.834513 5.715624 27 H 7.197376 5.894647 5.150659 5.904393 7.470360 28 H 6.056505 4.855905 3.937877 4.508911 6.774812 29 H 6.297385 5.103450 4.150503 4.675832 7.009677 30 H 7.020644 5.675507 5.443711 6.582210 6.474351 31 H 6.748712 5.447364 5.196163 6.288480 6.278581 32 H 5.812729 4.525879 4.617341 5.899458 4.934406 16 17 18 19 20 16 H 0.000000 17 H 1.763459 0.000000 18 C 6.416901 5.707249 0.000000 19 Br 4.375507 4.112538 7.871328 0.000000 20 H 7.716458 6.499983 3.643751 7.142012 0.000000 21 H 1.759512 1.757785 6.997902 2.858090 7.427031 22 H 2.869368 3.589011 6.880849 2.731709 7.409536 23 N 7.409085 6.773952 1.325464 9.173416 4.552390 24 H 5.520925 5.023706 1.077740 7.288687 4.258065 25 C 8.690267 7.883367 2.403597 10.146573 4.516643 26 C 7.536470 7.200921 2.414682 9.816338 5.924424 27 H 9.376854 8.645427 3.279369 11.112339 5.580053 28 H 8.671683 7.672161 2.670969 9.996184 4.127875 29 H 9.181029 8.388820 2.765503 10.248051 4.242025 30 H 8.089713 7.715392 3.207483 10.618431 6.612242 31 H 8.215780 7.995732 3.027345 10.324680 6.323173 32 H 6.630055 6.463269 2.526474 9.185073 6.165779 21 22 23 24 25 21 H 0.000000 22 H 2.523536 0.000000 23 N 8.150229 8.058486 0.000000 24 H 6.245332 6.025637 2.037957 0.000000 25 C 9.296427 9.282522 1.454731 3.361664 0.000000 26 C 8.546143 8.333642 1.450036 2.554447 2.500715 27 H 10.109753 10.121168 2.072217 4.108330 1.080722 28 H 9.149589 9.383639 2.089332 3.686612 1.080470 29 H 9.682871 9.454183 2.102445 3.743826 1.083621 30 H 9.166435 9.158426 2.083319 3.422110 2.721155 31 H 9.225474 8.744316 2.105429 3.167591 2.863456 32 H 7.756436 7.526282 2.083946 2.198683 3.401547 26 27 28 29 30 26 C 0.000000 27 H 2.533339 0.000000 28 H 3.296982 1.763061 0.000000 29 H 3.119148 1.764484 1.755279 0.000000 30 H 1.082247 2.372158 3.394199 3.531280 0.000000 31 H 1.085892 2.787270 3.848830 3.160144 1.760771 32 H 1.081502 3.563007 4.063679 4.012620 1.753896 31 32 31 H 0.000000 32 H 1.760088 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.267077 -1.940731 0.022184 2 6 0 -1.831411 -2.499740 1.319239 3 8 0 -1.882819 -2.458000 -1.106686 4 7 0 3.354262 0.609386 0.088428 5 8 0 0.212353 3.857867 -0.036001 6 6 0 0.368207 2.673895 -0.014387 7 6 0 -0.595093 1.606004 -0.011786 8 7 0 -1.970902 1.641666 -0.044241 9 6 0 -2.312421 0.420293 -0.014569 10 7 0 -1.267760 -0.471824 0.025489 11 6 0 -0.153025 0.314079 0.026343 12 7 0 1.121142 -0.136242 0.070039 13 6 0 2.000409 0.815745 0.060398 14 7 0 1.664768 2.129526 0.026041 15 1 0 -0.226334 -2.200780 -0.057959 16 1 0 -1.754591 -3.580300 1.294870 17 1 0 -1.263918 -2.126299 2.163724 18 6 0 3.760262 -0.597285 -0.070648 19 35 0 -4.097922 -0.142698 -0.060398 20 1 0 2.414721 2.787559 0.025643 21 1 0 -2.870576 -2.229827 1.458217 22 1 0 -2.821842 -2.340377 -1.062425 23 7 0 5.041432 -0.930474 -0.003990 24 1 0 3.077141 -1.408902 -0.260769 25 6 0 6.041974 0.102841 0.213763 26 6 0 5.481261 -2.267284 -0.353405 27 1 0 7.004519 -0.369250 0.350129 28 1 0 5.797283 0.677346 1.095516 29 1 0 6.092621 0.778670 -0.631769 30 1 0 6.221744 -2.608520 0.358286 31 1 0 5.917709 -2.294415 -1.347356 32 1 0 4.643411 -2.950580 -0.325828 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5658746 0.1455840 0.1188778 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1841.8957574606 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.39D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 1.000000 0.000033 0.000641 0.000286 Ang= 0.08 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58064403 A.U. after 12 cycles NFock= 12 Conv=0.56D-08 -V/T= 2.0037 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 -0.002069664 -0.000780711 0.000553462 2 6 0.001239263 -0.000233353 0.001033502 3 8 0.001308666 0.002869713 -0.000463543 4 7 -0.000610702 0.000756476 -0.000531496 5 8 0.000392375 -0.000170457 -0.000585145 6 6 0.000112771 0.001306627 0.001302316 7 6 0.000309639 -0.000611693 -0.000147788 8 7 -0.000148174 0.001036677 0.000982686 9 6 -0.000089487 -0.001303290 -0.001442863 10 7 0.000670254 -0.000298301 0.000089762 11 6 -0.000126909 -0.000296570 -0.000912027 12 7 -0.001096485 -0.000741930 0.000238015 13 6 0.000960324 -0.000337459 -0.000565098 14 7 -0.000550420 -0.000517978 0.000019588 15 1 0.000182502 -0.000767794 -0.000554249 16 1 0.000169126 -0.000074233 0.000562659 17 1 0.000022079 -0.000104121 0.000161909 18 6 0.000571634 0.000061562 0.001421364 19 35 -0.000640155 -0.000679079 -0.000499352 20 1 0.000142342 0.000108563 -0.000006521 21 1 0.000492441 0.000491069 -0.000139934 22 1 -0.001343758 -0.000111511 0.000683801 23 7 -0.000072777 0.000010668 -0.000610993 24 1 -0.000282657 -0.000029114 -0.000117084 25 6 0.000173485 -0.000121639 -0.000205740 26 6 0.000092468 0.000337180 -0.000410736 27 1 0.000076725 -0.000017221 0.000113711 28 1 -0.000005445 -0.000292501 -0.000095316 29 1 0.000245686 0.000063882 -0.000083208 30 1 0.000156140 -0.000064645 0.000422303 31 1 -0.000023423 0.000362083 0.000101820 32 1 -0.000257866 0.000149099 -0.000315806 ------------------------------------------------------------------- Cartesian Forces: Max 0.002869713 RMS 0.000676504 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002438652 RMS 0.000636196 Search for a local minimum. Step number 21 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 18 20 21 DE= -1.95D-04 DEPred=-3.01D-04 R= 6.46D-01 TightC=F SS= 1.41D+00 RLast= 2.19D-01 DXNew= 1.2622D+00 6.5791D-01 Trust test= 6.46D-01 RLast= 2.19D-01 DXMaxT set to 7.50D-01 ITU= 1 1 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 ITU= 0 Eigenvalues --- 0.00305 0.00451 0.01037 0.01057 0.01262 Eigenvalues --- 0.01341 0.01670 0.01687 0.01754 0.01879 Eigenvalues --- 0.01944 0.02069 0.02196 0.02248 0.02431 Eigenvalues --- 0.02563 0.02659 0.03349 0.04209 0.05093 Eigenvalues --- 0.05446 0.05643 0.05911 0.06323 0.07137 Eigenvalues --- 0.07566 0.07644 0.07801 0.07824 0.08698 Eigenvalues --- 0.15304 0.15630 0.15986 0.15996 0.16000 Eigenvalues --- 0.16006 0.16020 0.16044 0.16069 0.16171 Eigenvalues --- 0.16506 0.17048 0.18782 0.19434 0.21269 Eigenvalues --- 0.22225 0.23521 0.23616 0.24681 0.24741 Eigenvalues --- 0.24806 0.24944 0.25194 0.25343 0.26162 Eigenvalues --- 0.28317 0.29928 0.32268 0.32820 0.33691 Eigenvalues --- 0.33733 0.33742 0.33745 0.33774 0.33780 Eigenvalues --- 0.33844 0.33951 0.34500 0.34818 0.36893 Eigenvalues --- 0.38246 0.39381 0.40746 0.41149 0.41985 Eigenvalues --- 0.43719 0.44453 0.46018 0.48029 0.48389 Eigenvalues --- 0.48658 0.50500 0.51862 0.55580 0.59144 Eigenvalues --- 0.65435 0.71143 0.72269 0.78117 0.87903 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 21 20 RFO step: Lambda=-2.40554929D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.19873 -0.19873 Iteration 1 RMS(Cart)= 0.01537744 RMS(Int)= 0.00011457 Iteration 2 RMS(Cart)= 0.00020279 RMS(Int)= 0.00001560 Iteration 3 RMS(Cart)= 0.00000003 RMS(Int)= 0.00001560 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87419 0.00153 -0.00071 0.00227 0.00156 2.87576 R2 2.61920 -0.00244 0.00115 -0.00050 0.00065 2.61985 R3 2.77584 -0.00000 -0.00043 -0.00156 -0.00199 2.77384 R4 2.03283 -0.00022 0.00002 -0.00028 -0.00025 2.03258 R5 2.04763 0.00034 -0.00004 0.00042 0.00038 2.04802 R6 2.04812 -0.00002 -0.00001 0.00000 -0.00001 2.04811 R7 2.04583 -0.00070 0.00021 -0.00098 -0.00077 2.04506 R8 1.79032 0.00113 -0.00007 0.00118 0.00111 1.79143 R9 2.58850 0.00098 0.00004 0.00147 0.00152 2.59002 R10 2.42460 0.00057 0.00028 0.00068 0.00096 2.42555 R11 2.25705 -0.00022 0.00002 0.00018 0.00020 2.25725 R12 2.71776 0.00041 0.00053 0.00105 0.00157 2.71933 R13 2.65844 -0.00074 -0.00016 -0.00227 -0.00242 2.65601 R14 2.60150 -0.00019 -0.00023 -0.00042 -0.00064 2.60086 R15 2.58136 -0.00048 0.00042 -0.00076 -0.00033 2.58103 R16 2.39725 0.00048 0.00019 0.00068 0.00086 2.39811 R17 2.59711 0.00142 -0.00033 0.00252 0.00218 2.59930 R18 3.53892 0.00064 -0.00076 0.00089 0.00014 3.53906 R19 2.57744 0.00039 0.00036 0.00066 0.00102 2.57846 R20 2.55512 0.00025 0.00011 0.00079 0.00089 2.55601 R21 2.44899 0.00082 0.00015 0.00040 0.00055 2.44954 R22 2.56325 -0.00023 0.00068 0.00132 0.00201 2.56525 R23 1.88541 0.00008 0.00001 0.00004 0.00005 1.88546 R24 2.50476 0.00068 -0.00006 0.00077 0.00071 2.50547 R25 2.03663 -0.00008 -0.00003 -0.00006 -0.00009 2.03655 R26 2.74904 -0.00038 0.00023 -0.00062 -0.00039 2.74865 R27 2.74017 -0.00026 0.00038 -0.00018 0.00020 2.74037 R28 2.04227 0.00006 0.00003 0.00003 0.00006 2.04233 R29 2.04179 -0.00017 -0.00001 -0.00030 -0.00031 2.04148 R30 2.04775 -0.00001 0.00011 0.00009 0.00020 2.04795 R31 2.04515 0.00027 -0.00002 0.00030 0.00028 2.04543 R32 2.05204 -0.00012 0.00006 -0.00014 -0.00008 2.05196 R33 2.04374 -0.00029 -0.00003 -0.00050 -0.00053 2.04321 A1 1.97422 0.00041 -0.00141 -0.00001 -0.00144 1.97278 A2 1.94491 0.00244 -0.00084 0.00922 0.00837 1.95328 A3 1.91098 -0.00084 0.00033 -0.00502 -0.00473 1.90625 A4 1.95501 -0.00190 0.00082 -0.00047 0.00034 1.95534 A5 1.85345 -0.00006 -0.00034 -0.00638 -0.00674 1.84671 A6 1.81559 -0.00025 0.00176 0.00172 0.00350 1.81909 A7 1.89762 0.00067 -0.00104 0.00018 -0.00086 1.89675 A8 1.92150 0.00014 -0.00028 0.00034 0.00006 1.92156 A9 1.95411 -0.00010 0.00070 0.00091 0.00161 1.95571 A10 1.90076 -0.00037 0.00023 -0.00087 -0.00064 1.90012 A11 1.89607 -0.00023 -0.00033 -0.00066 -0.00099 1.89508 A12 1.89301 -0.00013 0.00073 0.00004 0.00076 1.89377 A13 1.93472 -0.00172 -0.00032 -0.00521 -0.00553 1.92919 A14 2.03969 0.00181 -0.00031 0.00427 0.00396 2.04366 A15 2.27666 0.00008 -0.00044 -0.00112 -0.00155 2.27511 A16 2.09945 -0.00034 0.00033 0.00048 0.00081 2.10026 A17 1.90704 0.00027 0.00010 0.00065 0.00075 1.90779 A18 2.27854 0.00003 -0.00012 0.00015 0.00005 2.27858 A19 2.07779 -0.00014 -0.00007 0.00025 0.00018 2.07797 A20 1.92686 0.00011 0.00020 -0.00040 -0.00022 1.92663 A21 1.81683 0.00049 -0.00038 0.00115 0.00071 1.81754 A22 2.00537 -0.00073 0.00064 -0.00095 -0.00039 2.00498 A23 2.14784 -0.00070 0.00025 -0.00144 -0.00118 2.14666 A24 2.12974 0.00143 -0.00094 0.00251 0.00157 2.13131 A25 2.27761 0.00143 0.00015 0.00357 0.00374 2.28135 A26 2.18441 -0.00126 0.00022 -0.00286 -0.00262 2.18180 A27 1.82062 -0.00018 -0.00030 -0.00091 -0.00127 1.81935 A28 1.85506 0.00032 -0.00007 0.00126 0.00115 1.85621 A29 2.24064 -0.00023 -0.00002 -0.00143 -0.00144 2.23919 A30 2.18744 -0.00009 0.00010 0.00013 0.00024 2.18769 A31 1.97628 0.00044 0.00003 0.00165 0.00167 1.97796 A32 2.16490 0.00224 -0.00070 0.00431 0.00359 2.16849 A33 1.97252 -0.00153 0.00064 -0.00285 -0.00221 1.97031 A34 2.14576 -0.00071 0.00006 -0.00143 -0.00138 2.14438 A35 2.21879 0.00038 -0.00010 0.00032 0.00022 2.21901 A36 2.02367 -0.00004 0.00039 0.00104 0.00143 2.02510 A37 2.04072 -0.00034 -0.00028 -0.00136 -0.00164 2.03908 A38 2.13653 -0.00050 0.00018 -0.00044 -0.00028 2.13625 A39 2.12886 -0.00003 -0.00000 -0.00058 -0.00059 2.12827 A40 2.01776 0.00053 -0.00015 0.00097 0.00081 2.01857 A41 2.08722 0.00027 0.00010 0.00143 0.00146 2.08868 A42 2.10926 0.00076 -0.00009 0.00218 0.00202 2.11128 A43 2.07407 -0.00101 0.00071 -0.00139 -0.00075 2.07332 A44 1.89777 -0.00011 0.00016 0.00002 0.00018 1.89795 A45 1.92206 -0.00027 -0.00011 -0.00078 -0.00089 1.92117 A46 1.93730 0.00012 -0.00007 0.00025 0.00017 1.93747 A47 1.90816 0.00016 0.00003 0.00050 0.00053 1.90868 A48 1.90633 -0.00003 0.00001 -0.00014 -0.00012 1.90620 A49 1.89203 0.00012 -0.00002 0.00016 0.00014 1.89218 A50 1.91745 0.00019 0.00013 0.00132 0.00146 1.91891 A51 1.94498 -0.00008 -0.00007 -0.00086 -0.00094 1.94404 A52 1.91913 -0.00032 0.00004 -0.00084 -0.00080 1.91833 A53 1.89552 0.00001 -0.00012 0.00009 -0.00003 1.89549 A54 1.89029 0.00002 0.00039 0.00067 0.00106 1.89135 A55 1.89540 0.00018 -0.00036 -0.00035 -0.00071 1.89469 D1 0.98023 -0.00005 -0.00138 -0.00672 -0.00810 0.97213 D2 3.06117 -0.00000 -0.00191 -0.00747 -0.00937 3.05179 D3 -1.11477 -0.00014 -0.00072 -0.00658 -0.00729 -1.12206 D4 -3.08188 -0.00025 -0.00214 0.00034 -0.00179 -3.08368 D5 -1.00095 -0.00021 -0.00267 -0.00041 -0.00307 -1.00402 D6 1.10630 -0.00035 -0.00148 0.00048 -0.00099 1.10531 D7 -1.08298 0.00034 -0.00029 0.00470 0.00440 -1.07858 D8 0.99796 0.00038 -0.00081 0.00395 0.00312 1.00108 D9 3.10521 0.00024 0.00038 0.00483 0.00520 3.11041 D10 0.94749 0.00113 0.01468 0.00632 0.02099 0.96848 D11 -1.26825 -0.00095 0.01631 -0.00588 0.01044 -1.25781 D12 3.04389 0.00030 0.01403 -0.00411 0.00993 3.05382 D13 -1.20086 -0.00097 0.01057 -0.01447 -0.00389 -1.20475 D14 1.98181 -0.00061 0.00837 -0.00701 0.00137 1.98319 D15 1.03059 0.00004 0.00864 -0.00732 0.00132 1.03192 D16 -2.06992 0.00040 0.00645 0.00014 0.00659 -2.06333 D17 3.02503 -0.00104 0.00958 -0.01405 -0.00448 3.02055 D18 -0.07549 -0.00067 0.00739 -0.00659 0.00079 -0.07470 D19 0.17275 -0.00001 -0.00000 -0.01487 -0.01488 0.15787 D20 -2.97282 -0.00036 -0.00098 -0.00676 -0.00774 -2.98056 D21 -3.08829 -0.00012 -0.00209 0.00332 0.00122 -3.08706 D22 0.04544 0.00006 0.00013 -0.00583 -0.00570 0.03974 D23 0.01034 -0.00033 0.00152 -0.00311 -0.00159 0.00875 D24 -3.13290 -0.00029 0.00120 -0.00206 -0.00086 -3.13376 D25 -3.14009 0.00021 0.00061 -0.00039 0.00021 -3.13988 D26 -0.00015 0.00024 0.00028 0.00067 0.00095 0.00080 D27 3.13575 0.00027 -0.00100 -0.00122 -0.00223 3.13352 D28 -0.01026 0.00032 -0.00097 0.00047 -0.00050 -0.01075 D29 0.00195 -0.00020 -0.00020 -0.00362 -0.00381 -0.00187 D30 3.13912 -0.00016 -0.00016 -0.00192 -0.00208 3.13705 D31 -3.13410 -0.00016 0.00341 -0.00951 -0.00610 -3.14021 D32 0.00903 -0.00019 0.00372 -0.01049 -0.00679 0.00224 D33 3.13696 -0.00035 0.00062 -0.00335 -0.00274 3.13422 D34 0.00569 -0.00006 -0.00007 0.00165 0.00157 0.00726 D35 -0.00597 -0.00032 0.00035 -0.00249 -0.00215 -0.00811 D36 -3.13724 -0.00003 -0.00033 0.00250 0.00217 -3.13508 D37 -0.00891 0.00067 -0.00660 0.02026 0.01366 0.00475 D38 -3.12733 0.00054 -0.00108 0.01432 0.01326 -3.11407 D39 -3.10146 -0.00055 0.00508 -0.01581 -0.01071 -3.11217 D40 0.00547 -0.00088 0.00694 -0.02216 -0.01521 -0.00974 D41 0.01723 -0.00045 -0.00038 -0.01000 -0.01036 0.00687 D42 3.12416 -0.00078 0.00148 -0.01635 -0.01486 3.10930 D43 3.11002 0.00043 -0.00223 0.00771 0.00550 3.11551 D44 -0.04149 0.00014 -0.00157 0.00290 0.00133 -0.04016 D45 0.00066 0.00067 -0.00396 0.01346 0.00950 0.01016 D46 3.13234 0.00038 -0.00330 0.00864 0.00534 3.13768 D47 -0.01196 -0.00022 -0.00027 -0.00115 -0.00142 -0.01338 D48 -3.14142 0.00013 -0.00108 0.00473 0.00365 -3.13777 D49 -3.13294 -0.00012 -0.00070 0.00709 0.00641 -3.12654 D50 0.01301 0.00027 0.00037 -0.00180 -0.00142 0.01159 D51 3.13619 0.00028 0.00082 -0.00347 -0.00264 3.13355 D52 -0.00095 0.00024 0.00078 -0.00519 -0.00440 -0.00534 D53 -0.00932 -0.00006 -0.00015 0.00455 0.00439 -0.00493 D54 3.13672 -0.00010 -0.00019 0.00283 0.00264 3.13936 D55 -0.03573 0.00010 0.00265 -0.00053 0.00213 -0.03361 D56 -3.00522 0.00012 -0.00200 -0.01539 -0.01740 -3.02262 D57 3.11326 -0.00007 0.00056 0.00808 0.00865 3.12191 D58 0.14378 -0.00005 -0.00409 -0.00678 -0.01088 0.13290 D59 3.03061 -0.00024 -0.00703 -0.01997 -0.02700 3.00360 D60 0.94021 -0.00021 -0.00710 -0.02012 -0.02722 0.91299 D61 -1.15518 -0.00026 -0.00696 -0.01998 -0.02693 -1.18211 D62 -0.27963 -0.00009 -0.00256 -0.00507 -0.00763 -0.28726 D63 -2.37002 -0.00006 -0.00263 -0.00522 -0.00785 -2.37787 D64 1.81778 -0.00012 -0.00248 -0.00507 -0.00756 1.81022 D65 -2.40745 0.00040 0.00928 0.01962 0.02890 -2.37855 D66 1.77405 0.00031 0.00940 0.01918 0.02858 1.80262 D67 -0.32861 0.00035 0.00987 0.02074 0.03061 -0.29799 D68 0.90498 0.00030 0.00473 0.00460 0.00933 0.91431 D69 -1.19671 0.00022 0.00484 0.00416 0.00901 -1.18770 D70 2.98383 0.00025 0.00532 0.00572 0.01104 2.99487 Item Value Threshold Converged? Maximum Force 0.002439 0.000450 NO RMS Force 0.000636 0.000300 NO Maximum Displacement 0.075799 0.001800 NO RMS Displacement 0.015376 0.001200 NO Predicted change in Energy=-1.213049D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.197321 -4.805308 2.262214 2 6 0 7.162137 -5.025144 3.767625 3 8 0 7.450303 -5.967589 1.550095 4 7 0 7.675866 0.089077 0.342442 5 8 0 3.286123 -0.913663 -0.053658 6 6 0 4.339016 -1.341522 0.313971 7 6 0 4.674977 -2.611644 0.901051 8 7 0 3.883293 -3.697617 1.197949 9 6 0 4.688535 -4.540220 1.699978 10 7 0 5.994303 -4.115522 1.781025 11 6 0 5.972405 -2.859450 1.248526 12 7 0 7.044115 -2.043812 1.123422 13 6 0 6.757717 -0.898276 0.588668 14 7 0 5.500100 -0.556504 0.208763 15 1 0 8.001659 -4.133086 2.021246 16 1 0 8.095866 -5.482470 4.073479 17 1 0 7.052103 -4.076479 4.280049 18 6 0 8.913817 -0.211512 0.499341 19 35 0 4.160850 -6.248641 2.256922 20 1 0 5.381229 0.349547 -0.191772 21 1 0 6.347472 -5.672567 4.064804 22 1 0 6.819142 -6.638624 1.773740 23 7 0 9.885405 0.678030 0.349083 24 1 0 9.228853 -1.204354 0.775824 25 6 0 9.560434 2.039221 -0.047398 26 6 0 11.278072 0.275787 0.388951 27 1 0 10.454397 2.642970 0.018546 28 1 0 8.804411 2.445974 0.608378 29 1 0 9.184236 2.068672 -1.063307 30 1 0 11.847996 0.976945 0.984887 31 1 0 11.708073 0.238368 -0.607429 32 1 0 11.365773 -0.703586 0.838586 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521785 0.000000 3 O 1.386367 2.426661 0.000000 4 N 5.279160 6.176655 6.180010 0.000000 5 O 5.983781 6.821288 6.742003 4.520202 0.000000 6 C 4.895239 5.785051 5.710395 3.630701 1.194487 7 C 3.609314 4.497577 4.402961 4.075694 2.392389 8 N 3.652728 4.372228 4.242681 5.427205 3.110231 9 C 2.584645 3.260218 3.112429 5.674279 4.265433 10 N 1.467855 2.477464 2.367154 4.751403 4.577358 11 C 2.512836 3.528676 3.454802 3.523718 3.563409 12 N 2.991016 3.986738 3.967753 2.357596 4.096982 13 C 4.273044 5.224975 5.205954 1.370581 3.530550 14 N 5.014933 5.949505 5.906124 2.273456 2.257902 15 H 1.075596 2.133168 1.972657 4.555348 6.075047 16 H 2.132279 1.083764 2.649445 6.718570 7.812867 17 H 2.150334 1.083813 3.344774 5.765908 6.554924 18 C 5.211241 6.076275 6.031450 1.283547 5.698225 19 Br 3.362053 3.575876 3.376255 7.495816 5.879280 20 H 5.991057 6.909107 6.871781 2.370356 2.450356 21 H 2.173411 1.082197 2.761709 6.986928 6.998625 22 H 1.934599 2.587768 0.947981 6.931418 6.971139 23 N 6.399442 7.185320 7.178886 2.286695 6.800457 24 H 4.393557 5.274527 5.143068 2.067015 6.007377 25 C 7.600406 8.379230 8.432891 2.739823 6.934446 26 C 6.780794 7.513737 7.414838 3.607342 8.092092 27 H 8.433233 9.148473 9.247267 3.787811 8.002437 28 H 7.609139 8.276202 8.573709 2.626651 6.494378 29 H 7.890406 8.817541 8.626580 2.858339 6.685914 30 H 7.529594 8.107157 8.239279 4.313666 8.829420 31 H 7.349857 8.216520 7.829267 4.145266 8.518397 32 H 6.018872 6.702663 6.599006 3.806558 8.131481 6 7 8 9 10 6 C 0.000000 7 C 1.439007 0.000000 8 N 2.557398 1.376317 0.000000 9 C 3.503548 2.087552 1.269026 0.000000 10 N 3.547858 2.185549 2.229571 1.375489 0.000000 11 C 2.417738 1.365821 2.251548 2.162664 1.364460 12 N 2.909636 2.446364 3.568112 3.480406 2.413820 13 C 2.474275 2.714962 4.058306 4.333622 3.514994 14 N 1.405502 2.320278 3.668670 4.330398 3.922097 15 H 4.911473 3.825760 4.222367 3.353470 2.021754 16 H 6.737601 5.477994 5.403715 4.258080 3.397125 17 H 5.529069 4.383389 4.436692 3.529629 2.713961 18 C 4.715940 4.887717 6.160126 6.167030 5.040592 19 Br 5.280779 3.915413 2.776002 1.872790 2.852758 20 H 2.049804 3.234456 4.533726 5.288512 4.919820 21 H 6.071292 4.709121 4.265145 3.102690 2.786533 22 H 6.028369 4.644953 4.195266 2.991358 2.654516 23 N 5.902733 6.186695 7.476109 7.487490 6.337923 24 H 4.913514 4.768011 5.913506 5.709339 4.466278 25 C 6.230828 6.811593 8.166525 8.371247 7.344472 26 C 7.125434 7.224983 8.433575 8.266482 7.009970 27 H 7.304884 7.860756 9.207249 9.363258 8.287097 28 H 5.862725 6.535853 7.893586 8.181621 7.233604 29 H 6.082965 6.789512 8.152506 8.457217 7.517323 30 H 7.887344 8.021048 9.237609 9.066882 7.799537 31 H 7.592630 7.737088 8.943073 8.799599 7.570220 32 H 7.075132 6.957826 8.067271 7.749017 6.432898 11 12 13 14 15 11 C 0.000000 12 N 1.352583 0.000000 13 C 2.213218 1.296240 0.000000 14 N 2.570552 2.330808 1.357474 0.000000 15 H 2.517363 2.467396 3.750156 4.725974 0.000000 16 H 4.401100 4.651170 5.911800 6.777844 2.457920 17 H 3.440500 3.754476 4.879952 5.601277 2.450929 18 C 4.027997 2.691205 2.264595 3.443388 4.304297 19 Br 3.973060 5.222895 6.176827 6.195883 4.391233 20 H 3.566737 3.197357 2.015160 0.997741 5.644298 21 H 3.998215 4.722806 5.919939 6.462289 3.046714 22 H 3.908320 4.646054 5.861720 6.417257 2.781604 23 N 5.351106 4.010107 3.510638 4.557924 5.430605 24 H 3.683374 2.366134 2.497042 3.826861 3.410946 25 C 6.208893 4.936987 4.109585 4.825943 6.693761 26 C 6.222435 4.883276 4.674604 5.840389 5.730396 27 H 7.202620 5.900568 5.150816 5.900668 7.479416 28 H 6.047940 4.849957 3.920886 4.482526 6.776772 29 H 6.320350 5.125858 4.173703 4.699210 7.026717 30 H 7.022109 5.676393 5.439153 6.576445 6.479257 31 H 6.777827 5.473271 5.218106 6.311650 6.305319 32 H 5.822733 4.533659 4.618933 5.901223 4.947466 16 17 18 19 20 16 H 0.000000 17 H 1.763213 0.000000 18 C 6.420787 5.718190 0.000000 19 Br 4.401278 4.143751 7.882050 0.000000 20 H 7.718422 6.509893 3.643021 7.142935 0.000000 21 H 1.758719 1.757934 7.008693 2.895101 7.437602 22 H 2.873242 3.591718 6.878919 2.729847 7.400362 23 N 7.417906 6.788627 1.325838 9.186357 4.548409 24 H 5.519100 5.026623 1.077694 7.302269 4.260875 25 C 8.700714 7.900652 2.404753 10.156479 4.510166 26 C 7.540538 7.207058 2.416475 9.834243 5.925828 27 H 9.382320 8.653728 3.279118 11.121142 5.571450 28 H 8.681543 7.687271 2.661971 9.993832 4.093094 29 H 9.197329 8.417857 2.777451 10.268205 4.263546 30 H 8.083435 7.706866 3.202747 10.626353 6.602820 31 H 8.227207 8.011454 3.038947 10.355983 6.341457 32 H 6.632839 6.467443 2.523749 9.201642 6.163237 21 22 23 24 25 21 H 0.000000 22 H 2.530754 0.000000 23 N 8.164168 8.060089 0.000000 24 H 6.251774 6.027755 2.038759 0.000000 25 C 9.311552 9.280960 1.454525 3.362799 0.000000 26 C 8.556029 8.343188 1.450141 2.557301 2.500076 27 H 10.118656 10.121450 2.072196 4.108202 1.080755 28 H 9.159374 9.371727 2.088399 3.678734 1.080306 29 H 9.709353 9.458303 2.102467 3.754609 1.083727 30 H 9.162842 9.160161 2.084553 3.414921 2.725249 31 H 9.246889 8.767248 2.104836 3.184552 2.858156 32 H 7.764187 7.534656 2.083258 2.195708 3.401059 26 27 28 29 30 26 C 0.000000 27 H 2.533613 0.000000 28 H 3.298009 1.763282 0.000000 29 H 3.115708 1.764521 1.755322 0.000000 30 H 1.082393 2.377304 3.400474 3.533070 0.000000 31 H 1.085851 2.783101 3.844862 3.150808 1.760836 32 H 1.081219 3.564058 4.066116 4.007707 1.754460 31 32 31 H 0.000000 32 H 1.759377 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.267916 -1.942277 0.033734 2 6 0 -1.827289 -2.512566 1.328995 3 8 0 -1.878305 -2.463530 -1.096634 4 7 0 3.354016 0.608279 0.077808 5 8 0 0.211148 3.855572 -0.020658 6 6 0 0.367626 2.671509 -0.003119 7 6 0 -0.597379 1.604034 -0.001090 8 7 0 -1.972933 1.641238 -0.027868 9 6 0 -2.316459 0.419733 -0.009423 10 7 0 -1.272181 -0.474427 0.034517 11 6 0 -0.156874 0.311592 0.030765 12 7 0 1.117924 -0.138773 0.070063 13 6 0 1.998786 0.812142 0.060989 14 7 0 1.662977 2.127048 0.029519 15 1 0 -0.227746 -2.203538 -0.048094 16 1 0 -1.745539 -3.592751 1.296438 17 1 0 -1.258741 -2.143360 2.174626 18 6 0 3.765698 -0.597732 -0.075651 19 35 0 -4.102954 -0.138359 -0.075062 20 1 0 2.414134 2.783739 0.026978 21 1 0 -2.867124 -2.249646 1.473099 22 1 0 -2.816996 -2.337647 -1.055627 23 7 0 5.049640 -0.923046 -0.016405 24 1 0 3.084763 -1.415017 -0.248270 25 6 0 6.046921 0.115720 0.188632 26 6 0 5.494971 -2.265076 -0.338190 27 1 0 7.008096 -0.352143 0.347619 28 1 0 5.790629 0.710305 1.053412 29 1 0 6.107420 0.771553 -0.672000 30 1 0 6.224788 -2.596306 0.389292 31 1 0 5.946056 -2.306611 -1.325039 32 1 0 4.656289 -2.947039 -0.314218 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5657331 0.1452656 0.1186488 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.6181409609 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.41D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000154 0.000033 -0.000305 Ang= -0.04 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58077904 A.U. after 11 cycles NFock= 11 Conv=0.88D-08 -V/T= 2.0038 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 0.000379639 -0.001384790 0.000129167 2 6 0.000568509 0.000103068 0.000424358 3 8 -0.000321527 0.001834806 0.000160593 4 7 -0.000551573 0.000350123 -0.000269312 5 8 0.000434123 -0.000103494 -0.000507642 6 6 -0.000388871 0.000537818 0.001359722 7 6 0.000444270 -0.000170522 0.000290376 8 7 0.000489833 -0.000253292 -0.000367452 9 6 -0.000172327 -0.000184640 -0.000022341 10 7 0.000092239 -0.000123787 -0.001008113 11 6 0.000009450 0.000756207 -0.000022716 12 7 -0.000554312 0.000008116 0.000305117 13 6 0.000744165 -0.001018072 -0.001743893 14 7 0.000652289 -0.000124076 0.000466842 15 1 -0.000380728 0.000127067 -0.000556628 16 1 0.000035922 0.000038268 0.000296867 17 1 -0.000138947 -0.000096865 0.000186774 18 6 -0.000174668 0.000411919 0.002290280 19 35 -0.000062569 -0.000357455 0.000142433 20 1 -0.000029788 0.000043551 -0.000015568 21 1 -0.000165117 0.000199938 -0.000166381 22 1 -0.000616919 -0.000231270 0.000157199 23 7 -0.000237793 -0.000414106 -0.000359894 24 1 -0.000134660 -0.000182109 -0.000406246 25 6 0.000007465 -0.000161838 -0.000281103 26 6 -0.000176501 0.000197994 -0.000791936 27 1 0.000092628 -0.000037173 0.000082044 28 1 0.000021092 -0.000203609 -0.000085115 29 1 0.000254012 0.000081074 -0.000067980 30 1 0.000061617 -0.000050240 0.000438214 31 1 -0.000049812 0.000387669 0.000123563 32 1 -0.000131142 0.000019721 -0.000181229 ------------------------------------------------------------------- Cartesian Forces: Max 0.002290280 RMS 0.000522072 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001678833 RMS 0.000339995 Search for a local minimum. Step number 22 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 18 20 21 22 DE= -1.35D-04 DEPred=-1.21D-04 R= 1.11D+00 TightC=F SS= 1.41D+00 RLast= 9.39D-02 DXNew= 1.2622D+00 2.8170D-01 Trust test= 1.11D+00 RLast= 9.39D-02 DXMaxT set to 7.50D-01 ITU= 1 1 1 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 ITU= 1 0 Eigenvalues --- 0.00305 0.00360 0.00915 0.01042 0.01267 Eigenvalues --- 0.01354 0.01665 0.01687 0.01754 0.01879 Eigenvalues --- 0.01942 0.02069 0.02197 0.02249 0.02431 Eigenvalues --- 0.02562 0.02660 0.03356 0.04271 0.05424 Eigenvalues --- 0.05596 0.05791 0.06045 0.06668 0.06903 Eigenvalues --- 0.07573 0.07649 0.07803 0.07826 0.09210 Eigenvalues --- 0.15320 0.15736 0.15983 0.15999 0.16001 Eigenvalues --- 0.16010 0.16024 0.16042 0.16121 0.16252 Eigenvalues --- 0.16530 0.16928 0.18894 0.19927 0.21394 Eigenvalues --- 0.22305 0.23394 0.23626 0.24689 0.24759 Eigenvalues --- 0.24814 0.25019 0.25195 0.25638 0.26504 Eigenvalues --- 0.29203 0.29718 0.32345 0.32387 0.33686 Eigenvalues --- 0.33715 0.33740 0.33747 0.33760 0.33789 Eigenvalues --- 0.33853 0.33950 0.34372 0.34921 0.36765 Eigenvalues --- 0.38245 0.39401 0.40741 0.41244 0.42064 Eigenvalues --- 0.43776 0.44605 0.46792 0.47905 0.48655 Eigenvalues --- 0.49271 0.50522 0.51658 0.56141 0.57132 Eigenvalues --- 0.62459 0.70280 0.73200 0.78178 0.87891 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 22 21 20 RFO step: Lambda=-1.34705243D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.97262 -0.81826 -0.15436 Iteration 1 RMS(Cart)= 0.01896060 RMS(Int)= 0.00022464 Iteration 2 RMS(Cart)= 0.00028686 RMS(Int)= 0.00002333 Iteration 3 RMS(Cart)= 0.00000007 RMS(Int)= 0.00002333 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87576 0.00069 0.00097 -0.00000 0.00096 2.87672 R2 2.61985 -0.00168 0.00153 0.00006 0.00159 2.62144 R3 2.77384 -0.00059 -0.00227 0.00018 -0.00209 2.77175 R4 2.03258 -0.00008 -0.00023 0.00003 -0.00019 2.03239 R5 2.04802 0.00010 0.00034 -0.00025 0.00009 2.04811 R6 2.04811 0.00002 -0.00002 0.00007 0.00005 2.04816 R7 2.04506 -0.00004 -0.00058 0.00069 0.00011 2.04516 R8 1.79143 0.00061 0.00102 0.00002 0.00104 1.79246 R9 2.59002 -0.00048 0.00151 -0.00261 -0.00110 2.58892 R10 2.42555 -0.00037 0.00115 -0.00103 0.00011 2.42566 R11 2.25725 -0.00026 0.00021 -0.00019 0.00002 2.25727 R12 2.71933 -0.00011 0.00194 -0.00039 0.00155 2.72088 R13 2.65601 -0.00027 -0.00248 0.00038 -0.00210 2.65391 R14 2.60086 0.00014 -0.00079 0.00008 -0.00072 2.60015 R15 2.58103 -0.00054 0.00000 0.00002 0.00002 2.58105 R16 2.39811 -0.00028 0.00098 -0.00022 0.00076 2.39887 R17 2.59930 -0.00008 0.00187 -0.00180 0.00006 2.59936 R18 3.53906 0.00039 -0.00046 0.00050 0.00004 3.53910 R19 2.57846 -0.00007 0.00127 -0.00035 0.00093 2.57938 R20 2.55601 -0.00026 0.00095 -0.00101 -0.00005 2.55596 R21 2.44954 -0.00023 0.00066 -0.00093 -0.00028 2.44926 R22 2.56525 -0.00085 0.00248 -0.00158 0.00090 2.56615 R23 1.88546 0.00005 0.00005 0.00000 0.00006 1.88552 R24 2.50547 -0.00011 0.00064 -0.00098 -0.00033 2.50514 R25 2.03655 0.00002 -0.00011 0.00030 0.00019 2.03674 R26 2.74865 -0.00029 -0.00020 -0.00007 -0.00027 2.74839 R27 2.74037 -0.00045 0.00049 -0.00064 -0.00016 2.74021 R28 2.04233 0.00006 0.00008 0.00009 0.00017 2.04250 R29 2.04148 -0.00014 -0.00031 -0.00026 -0.00057 2.04092 R30 2.04795 -0.00002 0.00028 -0.00006 0.00023 2.04817 R31 2.04543 0.00024 0.00025 0.00036 0.00061 2.04604 R32 2.05196 -0.00015 -0.00003 -0.00033 -0.00036 2.05160 R33 2.04321 -0.00010 -0.00054 0.00008 -0.00047 2.04274 A1 1.97278 0.00060 -0.00250 0.00193 -0.00059 1.97218 A2 1.95328 0.00046 0.00749 -0.00535 0.00214 1.95542 A3 1.90625 0.00003 -0.00435 0.00471 0.00033 1.90658 A4 1.95534 -0.00105 0.00096 -0.00230 -0.00135 1.95400 A5 1.84671 0.00010 -0.00682 0.00671 -0.00014 1.84657 A6 1.81909 -0.00020 0.00477 -0.00524 -0.00046 1.81862 A7 1.89675 0.00046 -0.00165 0.00168 0.00003 1.89679 A8 1.92156 0.00026 -0.00016 0.00126 0.00109 1.92265 A9 1.95571 -0.00042 0.00210 -0.00303 -0.00093 1.95478 A10 1.90012 -0.00023 -0.00045 0.00046 0.00001 1.90013 A11 1.89508 0.00004 -0.00122 0.00137 0.00015 1.89523 A12 1.89377 -0.00011 0.00131 -0.00166 -0.00035 1.89342 A13 1.92919 -0.00041 -0.00563 0.00533 -0.00029 1.92889 A14 2.04366 -0.00021 0.00361 -0.00626 -0.00265 2.04101 A15 2.27511 0.00030 -0.00185 0.00112 -0.00072 2.27439 A16 2.10026 -0.00024 0.00104 -0.00037 0.00067 2.10094 A17 1.90779 -0.00006 0.00081 -0.00073 0.00007 1.90786 A18 2.27858 0.00007 -0.00005 0.00015 0.00011 2.27869 A19 2.07797 -0.00024 0.00012 -0.00059 -0.00048 2.07749 A20 1.92663 0.00016 -0.00006 0.00044 0.00037 1.92700 A21 1.81754 0.00015 0.00040 0.00003 0.00040 1.81794 A22 2.00498 -0.00045 0.00012 -0.00071 -0.00063 2.00435 A23 2.14666 0.00032 -0.00095 0.00133 0.00038 2.14704 A24 2.13131 0.00013 0.00080 -0.00056 0.00023 2.13154 A25 2.28135 -0.00043 0.00375 -0.00248 0.00128 2.28263 A26 2.18180 -0.00002 -0.00237 0.00097 -0.00140 2.18040 A27 1.81935 0.00046 -0.00147 0.00181 0.00031 1.81966 A28 1.85621 -0.00032 0.00106 -0.00150 -0.00045 1.85575 A29 2.23919 0.00026 -0.00142 0.00179 0.00037 2.23957 A30 2.18769 0.00006 0.00031 -0.00026 0.00006 2.18775 A31 1.97796 -0.00014 0.00165 -0.00216 -0.00052 1.97744 A32 2.16849 0.00092 0.00295 -0.00194 0.00099 2.16948 A33 1.97031 -0.00090 -0.00165 0.00029 -0.00137 1.96894 A34 2.14438 -0.00002 -0.00129 0.00168 0.00038 2.14476 A35 2.21901 0.00020 0.00013 -0.00000 0.00013 2.21914 A36 2.02510 -0.00012 0.00169 -0.00074 0.00095 2.02604 A37 2.03908 -0.00008 -0.00182 0.00074 -0.00108 2.03800 A38 2.13625 -0.00037 -0.00013 -0.00038 -0.00052 2.13573 A39 2.12827 0.00001 -0.00058 -0.00012 -0.00071 2.12757 A40 2.01857 0.00037 0.00067 0.00064 0.00129 2.01986 A41 2.08868 0.00030 0.00150 0.00052 0.00187 2.09055 A42 2.11128 0.00056 0.00189 0.00060 0.00234 2.11362 A43 2.07332 -0.00086 -0.00018 -0.00122 -0.00155 2.07177 A44 1.89795 -0.00017 0.00031 -0.00093 -0.00062 1.89733 A45 1.92117 -0.00015 -0.00095 0.00011 -0.00084 1.92033 A46 1.93747 0.00013 0.00011 0.00041 0.00052 1.93800 A47 1.90868 0.00013 0.00053 0.00033 0.00087 1.90955 A48 1.90620 -0.00004 -0.00011 -0.00054 -0.00064 1.90556 A49 1.89218 0.00010 0.00012 0.00061 0.00073 1.89291 A50 1.91891 0.00003 0.00152 -0.00021 0.00131 1.92022 A51 1.94404 -0.00010 -0.00097 -0.00077 -0.00175 1.94230 A52 1.91833 -0.00014 -0.00075 0.00026 -0.00049 1.91785 A53 1.89549 0.00006 -0.00013 0.00033 0.00020 1.89569 A54 1.89135 -0.00002 0.00134 -0.00042 0.00092 1.89227 A55 1.89469 0.00018 -0.00097 0.00083 -0.00014 1.89455 D1 0.97213 0.00033 -0.00895 0.00854 -0.00040 0.97173 D2 3.05179 0.00048 -0.01060 0.01087 0.00027 3.05207 D3 -1.12206 0.00024 -0.00765 0.00761 -0.00004 -1.12210 D4 -3.08368 -0.00021 -0.00341 0.00246 -0.00094 -3.08462 D5 -1.00402 -0.00007 -0.00506 0.00479 -0.00026 -1.00428 D6 1.10531 -0.00031 -0.00211 0.00153 -0.00057 1.10474 D7 -1.07858 -0.00017 0.00406 -0.00413 -0.00008 -1.07866 D8 1.00108 -0.00003 0.00241 -0.00180 0.00059 1.00168 D9 3.11041 -0.00027 0.00536 -0.00507 0.00028 3.11069 D10 0.96848 0.00004 0.03181 -0.01765 0.01415 0.98263 D11 -1.25781 -0.00021 0.02283 -0.00997 0.01286 -1.24495 D12 3.05382 0.00047 0.02055 -0.00644 0.01413 3.06795 D13 -1.20475 -0.00025 0.00442 -0.00283 0.00159 -1.20316 D14 1.98319 -0.00033 0.00784 -0.01318 -0.00533 1.97785 D15 1.03192 0.00008 0.00800 -0.00657 0.00144 1.03336 D16 -2.06333 -0.00001 0.01142 -0.01691 -0.00549 -2.06882 D17 3.02055 -0.00039 0.00309 -0.00267 0.00041 3.02096 D18 -0.07470 -0.00048 0.00650 -0.01301 -0.00652 -0.08122 D19 0.15787 0.00015 -0.01447 -0.00346 -0.01794 0.13994 D20 -2.98056 -0.00056 -0.00829 -0.01369 -0.02198 -3.00253 D21 -3.08706 -0.00049 -0.00043 -0.00736 -0.00780 -3.09486 D22 0.03974 0.00026 -0.00544 0.00431 -0.00114 0.03860 D23 0.00875 -0.00019 -0.00037 -0.00231 -0.00268 0.00607 D24 -3.13376 -0.00023 0.00009 -0.00211 -0.00202 -3.13578 D25 -3.13988 0.00027 0.00068 0.00216 0.00284 -3.13704 D26 0.00080 0.00023 0.00114 0.00236 0.00350 0.00430 D27 3.13352 0.00032 -0.00295 0.00394 0.00099 3.13451 D28 -0.01075 0.00033 -0.00123 0.00372 0.00249 -0.00827 D29 -0.00187 -0.00008 -0.00386 -0.00002 -0.00388 -0.00574 D30 3.13705 -0.00007 -0.00215 -0.00024 -0.00238 3.13467 D31 -3.14021 0.00020 -0.00329 0.00500 0.00170 -3.13850 D32 0.00224 0.00024 -0.00372 0.00481 0.00109 0.00333 D33 3.13422 -0.00021 -0.00219 0.00032 -0.00187 3.13236 D34 0.00726 -0.00012 0.00148 -0.00225 -0.00077 0.00649 D35 -0.00811 -0.00024 -0.00181 0.00049 -0.00133 -0.00944 D36 -3.13508 -0.00016 0.00185 -0.00209 -0.00024 -3.13531 D37 0.00475 -0.00015 0.00816 -0.00859 -0.00043 0.00432 D38 -3.11407 -0.00013 0.01206 -0.01133 0.00074 -3.11332 D39 -3.11217 -0.00006 -0.00647 0.00028 -0.00619 -3.11836 D40 -0.00974 0.00001 -0.00940 0.00903 -0.00037 -0.01011 D41 0.00687 -0.00008 -0.01037 0.00302 -0.00734 -0.00048 D42 3.10930 -0.00001 -0.01330 0.01177 -0.00153 3.10777 D43 3.11551 0.00019 0.00361 0.00283 0.00645 3.12197 D44 -0.04016 0.00011 0.00007 0.00533 0.00540 -0.03475 D45 0.01016 0.00014 0.00616 -0.00516 0.00100 0.01116 D46 3.13768 0.00006 0.00262 -0.00266 -0.00004 3.13763 D47 -0.01338 -0.00017 -0.00160 -0.00067 -0.00226 -0.01565 D48 -3.13777 -0.00007 0.00271 -0.00369 -0.00097 -3.13874 D49 -3.12654 -0.00045 0.00569 -0.00802 -0.00232 -3.12886 D50 0.01159 0.00032 -0.00109 0.00319 0.00210 0.01369 D51 3.13355 0.00048 -0.00194 0.00700 0.00507 3.13862 D52 -0.00534 0.00047 -0.00367 0.00722 0.00356 -0.00178 D53 -0.00493 -0.00022 0.00416 -0.00306 0.00110 -0.00383 D54 3.13936 -0.00023 0.00242 -0.00283 -0.00041 3.13895 D55 -0.03361 0.00039 0.00413 0.00711 0.01126 -0.02234 D56 -3.02262 0.00051 -0.01848 0.00794 -0.01057 -3.03318 D57 3.12191 -0.00031 0.00885 -0.00387 0.00500 3.12691 D58 0.13290 -0.00020 -0.01376 -0.00304 -0.01683 0.11607 D59 3.00360 -0.00013 -0.03173 -0.00664 -0.03836 2.96524 D60 0.91299 -0.00009 -0.03200 -0.00654 -0.03853 0.87446 D61 -1.18211 -0.00021 -0.03159 -0.00764 -0.03923 -1.22134 D62 -0.28726 -0.00011 -0.00941 -0.00730 -0.01672 -0.30397 D63 -2.37787 -0.00008 -0.00968 -0.00720 -0.01689 -2.39476 D64 1.81022 -0.00019 -0.00928 -0.00830 -0.01759 1.79263 D65 -2.37855 0.00032 0.03532 0.01163 0.04695 -2.33161 D66 1.80262 0.00030 0.03509 0.01186 0.04695 1.84958 D67 -0.29799 0.00023 0.03744 0.01115 0.04859 -0.24941 D68 0.91431 0.00034 0.01274 0.01231 0.02506 0.93936 D69 -1.18770 0.00031 0.01252 0.01254 0.02506 -1.16264 D70 2.99487 0.00025 0.01487 0.01183 0.02670 3.02156 Item Value Threshold Converged? Maximum Force 0.001679 0.000450 NO RMS Force 0.000340 0.000300 NO Maximum Displacement 0.093789 0.001800 NO RMS Displacement 0.018965 0.001200 NO Predicted change in Energy=-6.846123D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.198228 -4.806257 2.254305 2 6 0 7.173667 -5.022363 3.760982 3 8 0 7.444766 -5.971764 1.543561 4 7 0 7.673817 0.085600 0.331171 5 8 0 3.280219 -0.905100 -0.031075 6 6 0 4.334922 -1.335328 0.328545 7 6 0 4.672292 -2.608687 0.909791 8 7 0 3.880308 -3.692915 1.210486 9 6 0 4.686917 -4.538887 1.705629 10 7 0 5.994302 -4.117404 1.777443 11 6 0 5.971921 -2.860283 1.246186 12 7 0 7.044810 -2.047343 1.114132 13 6 0 6.757146 -0.901272 0.581562 14 7 0 5.497004 -0.555360 0.212221 15 1 0 8.001687 -4.136016 2.005480 16 1 0 8.108872 -5.480520 4.061200 17 1 0 7.068295 -4.072841 4.272859 18 6 0 8.910585 -0.212492 0.502022 19 35 0 4.159210 -6.247349 2.262499 20 1 0 5.378660 0.351328 -0.187105 21 1 0 6.360004 -5.668084 4.064739 22 1 0 6.806336 -6.637454 1.764860 23 7 0 9.883034 0.674023 0.341362 24 1 0 9.222953 -1.201992 0.793492 25 6 0 9.562086 2.031837 -0.069206 26 6 0 11.276331 0.278248 0.410341 27 1 0 10.449007 2.641997 0.027252 28 1 0 8.780370 2.433098 0.558747 29 1 0 9.222575 2.057225 -1.098191 30 1 0 11.827917 0.970616 1.033760 31 1 0 11.730697 0.262031 -0.575533 32 1 0 11.357063 -0.709292 0.842483 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522295 0.000000 3 O 1.387207 2.427305 0.000000 4 N 5.277773 6.172927 6.181748 0.000000 5 O 5.982707 6.818393 6.744925 4.518452 0.000000 6 C 4.894325 5.782242 5.713486 3.628672 1.194497 7 C 3.607961 4.495775 4.404379 4.074694 2.392761 8 N 3.652079 4.372491 4.243754 5.425963 3.110224 9 C 2.584418 3.262232 3.112094 5.674203 4.266069 10 N 1.466749 2.478766 2.365839 4.751601 4.577760 11 C 2.511363 3.527461 3.455288 3.523057 3.563621 12 N 2.989170 3.984114 3.968054 2.357567 4.097361 13 C 4.271010 5.221646 5.206549 1.369999 3.530490 14 N 5.013422 5.946345 5.907933 2.272332 2.257354 15 H 1.075493 2.133780 1.973195 4.553334 6.072779 16 H 2.132786 1.083811 2.649691 6.714468 7.810062 17 H 2.151591 1.083842 3.346148 5.761614 6.550416 18 C 5.206279 6.064039 6.033461 1.283606 5.697800 19 Br 3.363398 3.582317 3.374566 7.495914 5.879858 20 H 5.989323 6.905504 6.873535 2.367903 2.450798 21 H 2.173255 1.082254 2.761389 6.983589 6.996198 22 H 1.935566 2.593830 0.948530 6.928740 6.965542 23 N 6.395389 7.175185 7.180314 2.286261 6.799229 24 H 4.384542 5.253646 5.145413 2.066751 6.007009 25 C 7.599082 8.374760 8.434553 2.741113 6.934617 26 C 6.773723 7.493672 7.418068 3.608530 8.095243 27 H 8.426376 9.132962 9.247785 3.785394 7.998551 28 H 7.601733 8.271620 8.567111 2.605186 6.460891 29 H 7.902189 8.827805 8.637367 2.886006 6.725006 30 H 7.503067 8.063223 8.226089 4.305047 8.815630 31 H 7.364700 8.215637 7.856205 4.160711 8.548053 32 H 6.006186 6.679896 6.594785 3.802577 8.126306 6 7 8 9 10 6 C 0.000000 7 C 1.439830 0.000000 8 N 2.557872 1.375938 0.000000 9 C 3.504718 2.087880 1.269430 0.000000 10 N 3.548633 2.185579 2.229485 1.375522 0.000000 11 C 2.418123 1.365832 2.251531 2.163339 1.364950 12 N 2.909915 2.446570 3.568090 3.480994 2.414271 13 C 2.473780 2.714704 4.057710 4.333776 3.515049 14 N 1.404391 2.320109 3.668036 4.330704 3.922421 15 H 4.909290 3.823368 4.220678 3.352599 2.020382 16 H 6.734837 5.476211 5.403966 4.259714 3.397799 17 H 5.524755 4.381187 4.436861 3.532539 2.717084 18 C 4.714610 4.885812 6.157837 6.164880 5.037832 19 Br 5.281951 3.915729 2.776626 1.872811 2.852982 20 H 2.049412 3.234784 4.533676 5.289154 4.920165 21 H 6.069010 4.707651 4.265788 3.104788 2.787485 22 H 6.023573 4.638561 4.187992 2.983191 2.647680 23 N 5.900780 6.184750 7.473837 7.485672 6.335798 24 H 4.911904 4.764539 5.909521 5.704602 4.460042 25 C 6.230509 6.811974 8.166578 8.372080 7.345227 26 C 7.126954 7.224761 8.432764 8.264559 7.006465 27 H 7.300131 7.856143 9.202116 9.358617 8.282334 28 H 5.832326 6.512997 7.871683 8.165798 7.221943 29 H 6.118344 6.819663 8.181314 8.481880 7.537709 30 H 7.871447 8.001859 9.216520 9.044330 7.776379 31 H 7.620131 7.763266 8.969953 8.824248 7.590927 32 H 7.068699 6.949704 8.058492 7.739616 6.422506 11 12 13 14 15 11 C 0.000000 12 N 1.352554 0.000000 13 C 2.212697 1.296094 0.000000 14 N 2.570467 2.331343 1.357949 0.000000 15 H 2.514751 2.464279 3.746998 4.723380 0.000000 16 H 4.399603 4.648026 5.908008 6.774489 2.458692 17 H 3.439925 3.752433 4.876611 5.597358 2.452799 18 C 4.024963 2.687466 2.262310 3.442976 4.298898 19 Br 3.973793 5.223551 6.177002 6.196134 4.391858 20 H 3.566613 3.197326 2.014964 0.997772 5.641272 21 H 3.997324 4.720679 5.917157 6.459614 3.046786 22 H 3.902857 4.642137 5.857166 6.412247 2.782796 23 N 5.348536 4.007308 3.508622 4.556898 5.426346 24 H 3.677509 2.358333 2.493101 3.826057 3.401309 25 C 6.209056 4.937274 4.110270 4.826767 6.691903 26 C 6.219789 4.879494 4.673715 5.842497 5.723066 27 H 7.197581 5.895741 5.147023 5.897426 7.472898 28 H 6.031570 4.836834 3.900253 4.453252 6.771457 29 H 6.343874 5.146310 4.201501 4.735257 7.034171 30 H 7.000971 5.656204 5.424128 6.563840 6.454608 31 H 6.799339 5.490511 5.237208 6.336215 6.317433 32 H 5.812873 4.523239 4.611309 5.895864 4.934931 16 17 18 19 20 16 H 0.000000 17 H 1.763281 0.000000 18 C 6.408012 5.702240 0.000000 19 Br 4.407174 4.151242 7.879997 0.000000 20 H 7.714441 6.505337 3.642428 7.143539 0.000000 21 H 1.758901 1.757780 6.997279 2.902949 7.434684 22 H 2.882407 3.596654 6.877701 2.721599 7.395370 23 N 7.406973 6.775850 1.325661 9.184679 4.546735 24 H 5.497717 4.999032 1.077794 7.297609 4.260630 25 C 8.695262 7.895544 2.405777 10.157403 4.509885 26 C 7.518310 7.180431 2.417846 9.831954 5.928305 27 H 9.366122 8.633854 3.277232 11.116579 5.567901 28 H 8.680060 7.684599 2.649399 9.980383 4.057301 29 H 9.202024 8.430113 2.794572 10.290668 4.303004 30 H 8.038274 7.653902 3.192697 10.602730 6.592946 31 H 8.221545 8.002251 3.056031 10.380456 6.364529 32 H 6.608744 6.440068 2.519519 9.192149 6.158430 21 22 23 24 25 21 H 0.000000 22 H 2.535416 0.000000 23 N 8.154606 8.059163 0.000000 24 H 6.232456 6.027258 2.039500 0.000000 25 C 9.307610 9.279793 1.454383 3.364061 0.000000 26 C 8.537199 8.345209 1.450059 2.560132 2.498734 27 H 10.103400 10.119117 2.071693 4.106894 1.080845 28 H 9.153103 9.360899 2.087455 3.669450 1.080007 29 H 9.722682 9.467455 2.102799 3.768416 1.083846 30 H 9.119059 9.145136 2.085654 3.400557 2.734357 31 H 9.248932 8.793729 2.103400 3.210354 2.844548 32 H 7.742296 7.530139 2.082653 2.190793 3.401015 26 27 28 29 30 26 C 0.000000 27 H 2.533481 0.000000 28 H 3.300791 1.763654 0.000000 29 H 3.107786 1.764289 1.755638 0.000000 30 H 1.082715 2.389135 3.413508 3.537477 0.000000 31 H 1.085661 2.769534 3.834652 3.128350 1.761071 32 H 1.080972 3.566554 4.073631 3.996983 1.755102 31 32 31 H 0.000000 32 H 1.758932 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.265363 -1.941480 0.028540 2 6 0 -1.817090 -2.515762 1.325914 3 8 0 -1.881374 -2.462418 -1.099954 4 7 0 3.353559 0.611764 0.065758 5 8 0 0.209776 3.856403 -0.007432 6 6 0 0.367379 2.672413 0.004832 7 6 0 -0.597938 1.604113 0.002171 8 7 0 -1.973177 1.641001 -0.021541 9 6 0 -2.316892 0.419065 -0.007931 10 7 0 -1.272008 -0.474746 0.029218 11 6 0 -0.156478 0.311809 0.025841 12 7 0 1.118517 -0.138349 0.059707 13 6 0 1.998523 0.813163 0.051182 14 7 0 1.661982 2.128538 0.027623 15 1 0 -0.225271 -2.200547 -0.059643 16 1 0 -1.733727 -3.595784 1.290558 17 1 0 -1.245779 -2.147549 2.170150 18 6 0 3.763355 -0.597028 -0.070388 19 35 0 -4.103335 -0.139274 -0.073510 20 1 0 2.413610 2.784738 0.025195 21 1 0 -2.856736 -2.254689 1.475077 22 1 0 -2.819330 -2.327240 -1.059024 23 7 0 5.047873 -0.920852 -0.020126 24 1 0 3.080118 -1.415931 -0.226029 25 6 0 6.047927 0.118213 0.168203 26 6 0 5.491925 -2.270656 -0.309120 27 1 0 7.002765 -0.350351 0.360446 28 1 0 5.779071 0.742550 1.007449 29 1 0 6.129389 0.744133 -0.712882 30 1 0 6.197354 -2.598076 0.444165 31 1 0 5.971587 -2.328078 -1.281379 32 1 0 4.647150 -2.945050 -0.302066 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5655922 0.1453337 0.1186580 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.6830398193 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.41D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 0.000063 -0.000061 -0.000078 Ang= 0.01 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58088292 A.U. after 11 cycles NFock= 11 Conv=0.85D-08 -V/T= 2.0038 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 0.000736187 -0.002243827 -0.000115184 2 6 0.000321556 0.000067662 0.000129767 3 8 -0.000623859 0.001760529 0.000565179 4 7 -0.000337139 0.000161907 -0.000173716 5 8 0.000327289 0.000081325 -0.000198642 6 6 -0.000613665 -0.000664628 0.000626248 7 6 0.000576279 0.000444340 0.000181982 8 7 0.000552004 -0.000754274 -0.000055984 9 6 -0.000312986 0.000334102 -0.000224116 10 7 -0.000205829 0.000621432 -0.001071588 11 6 -0.000361831 0.000317975 0.000397916 12 7 -0.000707187 -0.000223941 0.000103864 13 6 -0.000256770 -0.000400574 -0.001054003 14 7 0.001373017 0.000022598 0.000542878 15 1 -0.000217281 0.000045663 -0.000488990 16 1 -0.000023633 0.000047794 0.000236407 17 1 -0.000126815 -0.000045862 0.000094087 18 6 0.000503462 0.000533566 0.001056541 19 35 -0.000021438 -0.000258658 0.000216525 20 1 -0.000113666 0.000005572 0.000015117 21 1 -0.000165330 0.000155697 -0.000141217 22 1 -0.000099359 0.000170084 0.000103155 23 7 -0.000232387 -0.000470769 0.000313300 24 1 -0.000025441 0.000094138 -0.000245348 25 6 0.000145025 -0.000242693 -0.000355905 26 6 -0.000347513 0.000312120 -0.000754347 27 1 0.000062995 0.000028197 0.000083171 28 1 0.000031799 -0.000101202 -0.000069776 29 1 0.000199578 0.000027545 -0.000050715 30 1 0.000080505 -0.000072988 0.000348736 31 1 -0.000087834 0.000332196 0.000102626 32 1 -0.000029733 -0.000085028 -0.000117968 ------------------------------------------------------------------- Cartesian Forces: Max 0.002243827 RMS 0.000488100 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002093026 RMS 0.000319585 Search for a local minimum. Step number 23 out of a maximum of 168 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 20 21 22 23 DE= -1.04D-04 DEPred=-6.85D-05 R= 1.52D+00 TightC=F SS= 1.41D+00 RLast= 1.29D-01 DXNew= 1.2622D+00 3.8603D-01 Trust test= 1.52D+00 RLast= 1.29D-01 DXMaxT set to 7.50D-01 ITU= 1 1 1 1 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 ITU= 1 1 0 Eigenvalues --- 0.00199 0.00305 0.00766 0.01040 0.01274 Eigenvalues --- 0.01418 0.01668 0.01689 0.01761 0.01883 Eigenvalues --- 0.01958 0.02075 0.02197 0.02249 0.02443 Eigenvalues --- 0.02561 0.02677 0.03360 0.04330 0.05495 Eigenvalues --- 0.05629 0.05763 0.05997 0.06533 0.07149 Eigenvalues --- 0.07583 0.07647 0.07807 0.07835 0.09005 Eigenvalues --- 0.15409 0.15759 0.15979 0.15996 0.16008 Eigenvalues --- 0.16013 0.16029 0.16034 0.16124 0.16245 Eigenvalues --- 0.16553 0.17061 0.18876 0.20285 0.21425 Eigenvalues --- 0.22308 0.23559 0.23908 0.24647 0.24814 Eigenvalues --- 0.24890 0.24997 0.25204 0.25645 0.27036 Eigenvalues --- 0.29172 0.29608 0.32265 0.32945 0.33671 Eigenvalues --- 0.33734 0.33740 0.33747 0.33766 0.33809 Eigenvalues --- 0.33911 0.33950 0.34346 0.35557 0.37346 Eigenvalues --- 0.38380 0.39461 0.40735 0.41197 0.42189 Eigenvalues --- 0.43823 0.44618 0.46717 0.48570 0.48668 Eigenvalues --- 0.49289 0.50908 0.51763 0.54538 0.56641 Eigenvalues --- 0.61272 0.69979 0.76551 0.78334 0.87780 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 23 22 21 20 RFO step: Lambda=-1.94750407D-04. DidBck=F Rises=F RFO-DIIS coefs: 2.92661 -1.66259 -0.32741 0.06339 Iteration 1 RMS(Cart)= 0.03720682 RMS(Int)= 0.00096297 Iteration 2 RMS(Cart)= 0.00116675 RMS(Int)= 0.00004901 Iteration 3 RMS(Cart)= 0.00000128 RMS(Int)= 0.00004900 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00004900 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87672 0.00028 0.00250 -0.00176 0.00073 2.87745 R2 2.62144 -0.00209 0.00286 -0.00441 -0.00155 2.61989 R3 2.77175 -0.00002 -0.00442 0.00409 -0.00033 2.77143 R4 2.03239 -0.00002 -0.00045 0.00020 -0.00025 2.03214 R5 2.04811 0.00002 0.00029 -0.00030 -0.00002 2.04809 R6 2.04816 0.00002 0.00011 0.00002 0.00012 2.04829 R7 2.04516 -0.00001 -0.00006 0.00025 0.00019 2.04535 R8 1.79246 -0.00003 0.00231 -0.00175 0.00056 1.79302 R9 2.58892 0.00032 -0.00173 0.00226 0.00052 2.58945 R10 2.42566 0.00025 0.00038 0.00105 0.00143 2.42709 R11 2.25727 -0.00020 0.00008 -0.00014 -0.00005 2.25722 R12 2.72088 -0.00057 0.00324 -0.00232 0.00092 2.72180 R13 2.65391 0.00036 -0.00463 0.00322 -0.00141 2.65250 R14 2.60015 0.00026 -0.00148 0.00024 -0.00124 2.59891 R15 2.58105 -0.00065 -0.00018 0.00009 -0.00009 2.58096 R16 2.39887 -0.00078 0.00164 -0.00103 0.00060 2.39947 R17 2.59936 -0.00021 0.00080 -0.00148 -0.00067 2.59869 R18 3.53910 0.00031 0.00036 -0.00019 0.00016 3.53926 R19 2.57938 -0.00041 0.00194 -0.00118 0.00076 2.58014 R20 2.55596 -0.00018 0.00010 -0.00041 -0.00032 2.55564 R21 2.44926 0.00000 -0.00044 0.00099 0.00055 2.44982 R22 2.56615 -0.00104 0.00204 -0.00172 0.00032 2.56647 R23 1.88552 0.00001 0.00012 -0.00009 0.00003 1.88554 R24 2.50514 -0.00025 -0.00044 -0.00039 -0.00083 2.50431 R25 2.03674 -0.00016 0.00035 -0.00085 -0.00050 2.03623 R26 2.74839 -0.00025 -0.00069 0.00013 -0.00056 2.74782 R27 2.74021 -0.00052 -0.00037 -0.00071 -0.00108 2.73913 R28 2.04250 0.00008 0.00034 0.00028 0.00061 2.04311 R29 2.04092 -0.00010 -0.00117 0.00002 -0.00115 2.03977 R30 2.04817 -0.00001 0.00045 0.00005 0.00050 2.04868 R31 2.04604 0.00020 0.00125 0.00024 0.00149 2.04753 R32 2.05160 -0.00013 -0.00073 -0.00015 -0.00088 2.05072 R33 2.04274 0.00003 -0.00103 0.00057 -0.00046 2.04228 A1 1.97218 0.00053 -0.00108 0.00074 -0.00034 1.97184 A2 1.95542 -0.00013 0.00659 -0.00521 0.00138 1.95680 A3 1.90658 0.00019 -0.00072 0.00331 0.00259 1.90917 A4 1.95400 -0.00051 -0.00277 0.00201 -0.00076 1.95324 A5 1.84657 -0.00007 -0.00194 -0.00121 -0.00315 1.84342 A6 1.81862 -0.00005 -0.00053 0.00071 0.00017 1.81880 A7 1.89679 0.00041 0.00017 0.00169 0.00186 1.89865 A8 1.92265 0.00011 0.00221 -0.00124 0.00097 1.92361 A9 1.95478 -0.00035 -0.00158 -0.00109 -0.00267 1.95211 A10 1.90013 -0.00016 -0.00023 0.00084 0.00061 1.90074 A11 1.89523 0.00004 0.00014 0.00024 0.00037 1.89560 A12 1.89342 -0.00005 -0.00071 -0.00036 -0.00107 1.89235 A13 1.92889 -0.00039 -0.00192 -0.00049 -0.00241 1.92649 A14 2.04101 0.00095 -0.00396 0.00660 0.00264 2.04365 A15 2.27439 0.00032 -0.00167 0.00154 -0.00013 2.27426 A16 2.10094 -0.00029 0.00141 -0.00145 -0.00005 2.10089 A17 1.90786 -0.00003 0.00030 -0.00011 0.00018 1.90804 A18 2.27869 0.00006 0.00027 0.00010 0.00037 2.27906 A19 2.07749 -0.00015 -0.00085 -0.00043 -0.00128 2.07621 A20 1.92700 0.00009 0.00058 0.00033 0.00091 1.92791 A21 1.81794 0.00001 0.00108 -0.00131 -0.00025 1.81769 A22 2.00435 -0.00020 -0.00153 0.00146 -0.00006 2.00429 A23 2.14704 0.00026 0.00033 -0.00056 -0.00022 2.14681 A24 2.13154 -0.00006 0.00116 -0.00092 0.00025 2.13179 A25 2.28263 -0.00072 0.00340 -0.00204 0.00130 2.28393 A26 2.18040 0.00036 -0.00345 0.00231 -0.00120 2.17920 A27 1.81966 0.00036 0.00036 -0.00007 0.00026 1.81992 A28 1.85575 -0.00026 -0.00055 -0.00031 -0.00085 1.85490 A29 2.23957 0.00019 0.00034 0.00064 0.00098 2.24054 A30 2.18775 0.00007 0.00016 -0.00027 -0.00012 2.18763 A31 1.97744 0.00009 -0.00056 0.00087 0.00032 1.97776 A32 2.16948 0.00099 0.00308 0.00028 0.00335 2.17284 A33 1.96894 -0.00066 -0.00343 0.00165 -0.00178 1.96716 A34 2.14476 -0.00034 0.00035 -0.00193 -0.00158 2.14318 A35 2.21914 0.00024 0.00034 0.00103 0.00138 2.22051 A36 2.02604 -0.00022 0.00208 -0.00209 -0.00001 2.02603 A37 2.03800 -0.00002 -0.00242 0.00106 -0.00136 2.03664 A38 2.13573 -0.00009 -0.00114 0.00139 0.00024 2.13597 A39 2.12757 0.00005 -0.00152 0.00064 -0.00089 2.12667 A40 2.01986 0.00004 0.00275 -0.00206 0.00068 2.02054 A41 2.09055 0.00039 0.00395 0.00063 0.00427 2.09482 A42 2.11362 0.00045 0.00508 -0.00027 0.00450 2.11812 A43 2.07177 -0.00085 -0.00342 -0.00180 -0.00555 2.06622 A44 1.89733 -0.00007 -0.00120 0.00054 -0.00066 1.89667 A45 1.92033 -0.00004 -0.00182 0.00060 -0.00121 1.91911 A46 1.93800 0.00003 0.00107 -0.00080 0.00027 1.93827 A47 1.90955 0.00004 0.00180 -0.00060 0.00120 1.91075 A48 1.90556 -0.00003 -0.00128 -0.00001 -0.00128 1.90428 A49 1.89291 0.00008 0.00145 0.00026 0.00171 1.89462 A50 1.92022 0.00009 0.00287 0.00077 0.00365 1.92387 A51 1.94230 -0.00018 -0.00359 -0.00143 -0.00502 1.93728 A52 1.91785 -0.00001 -0.00117 0.00108 -0.00009 1.91775 A53 1.89569 0.00004 0.00042 -0.00020 0.00023 1.89592 A54 1.89227 -0.00007 0.00193 -0.00033 0.00159 1.89387 A55 1.89455 0.00013 -0.00035 0.00010 -0.00026 1.89428 D1 0.97173 0.00023 -0.00248 -0.00085 -0.00333 0.96840 D2 3.05207 0.00035 -0.00134 0.00047 -0.00087 3.05119 D3 -1.12210 0.00013 -0.00177 -0.00158 -0.00335 -1.12545 D4 -3.08462 -0.00012 -0.00160 -0.00188 -0.00348 -3.08810 D5 -1.00428 0.00000 -0.00046 -0.00057 -0.00103 -1.00531 D6 1.10474 -0.00022 -0.00090 -0.00261 -0.00351 1.10123 D7 -1.07866 -0.00014 0.00109 -0.00198 -0.00089 -1.07955 D8 1.00168 -0.00002 0.00223 -0.00067 0.00156 1.00324 D9 3.11069 -0.00024 0.00179 -0.00271 -0.00092 3.10977 D10 0.98263 -0.00019 0.02812 -0.01121 0.01690 0.99954 D11 -1.24495 -0.00004 0.02233 -0.00639 0.01594 -1.22901 D12 3.06795 0.00030 0.02537 -0.00752 0.01784 3.08579 D13 -1.20316 -0.00012 -0.00133 0.00212 0.00080 -1.20236 D14 1.97785 -0.00025 -0.01259 -0.00559 -0.01817 1.95968 D15 1.03336 0.00008 0.00037 0.00047 0.00084 1.03420 D16 -2.06882 -0.00004 -0.01089 -0.00724 -0.01812 -2.08694 D17 3.02096 -0.00025 -0.00345 0.00037 -0.00309 3.01787 D18 -0.08122 -0.00038 -0.01471 -0.00734 -0.02206 -0.10328 D19 0.13994 0.00011 -0.03849 0.00346 -0.03503 0.10491 D20 -3.00253 -0.00027 -0.04407 0.00547 -0.03860 -3.04113 D21 -3.09486 -0.00019 -0.01403 0.00463 -0.00940 -3.10426 D22 0.03860 0.00016 -0.00374 -0.00054 -0.00429 0.03431 D23 0.00607 -0.00003 -0.00607 0.00581 -0.00025 0.00582 D24 -3.13578 -0.00007 -0.00449 0.00410 -0.00039 -3.13617 D25 -3.13704 0.00010 0.00533 -0.00375 0.00159 -3.13545 D26 0.00430 0.00005 0.00690 -0.00546 0.00145 0.00575 D27 3.13451 0.00016 0.00164 -0.00085 0.00080 3.13531 D28 -0.00827 0.00013 0.00497 -0.00368 0.00130 -0.00697 D29 -0.00574 0.00005 -0.00842 0.00759 -0.00083 -0.00657 D30 3.13467 0.00003 -0.00509 0.00476 -0.00033 3.13433 D31 -3.13850 0.00011 0.00058 0.00210 0.00268 -3.13583 D32 0.00333 0.00015 -0.00088 0.00369 0.00281 0.00614 D33 3.13236 -0.00006 -0.00452 0.00364 -0.00088 3.13148 D34 0.00649 -0.00007 -0.00105 -0.00021 -0.00126 0.00523 D35 -0.00944 -0.00009 -0.00324 0.00225 -0.00100 -0.01044 D36 -3.13531 -0.00010 0.00022 -0.00160 -0.00138 -3.13669 D37 0.00432 -0.00016 0.00489 -0.00856 -0.00367 0.00065 D38 -3.11332 -0.00018 0.00528 -0.00734 -0.00207 -3.11539 D39 -3.11836 -0.00001 -0.01637 0.00349 -0.01290 -3.13126 D40 -0.01011 0.00010 -0.00694 0.01007 0.00313 -0.00698 D41 -0.00048 0.00002 -0.01676 0.00230 -0.01449 -0.01496 D42 3.10777 0.00013 -0.00734 0.00887 0.00154 3.10932 D43 3.12197 0.00008 0.01459 -0.00083 0.01374 3.13571 D44 -0.03475 0.00009 0.01127 0.00287 0.01412 -0.02063 D45 0.01116 0.00000 0.00571 -0.00680 -0.00109 0.01007 D46 3.13763 0.00001 0.00238 -0.00309 -0.00071 3.13692 D47 -0.01565 -0.00003 -0.00465 0.00473 0.00009 -0.01556 D48 -3.13874 -0.00004 -0.00057 0.00021 -0.00035 -3.13909 D49 -3.12886 -0.00028 -0.00256 -0.00069 -0.00325 -3.13211 D50 0.01369 0.00013 0.00356 -0.00290 0.00066 0.01435 D51 3.13862 0.00022 0.00881 -0.00557 0.00324 -3.14133 D52 -0.00178 0.00024 0.00545 -0.00272 0.00273 0.00095 D53 -0.00383 -0.00016 0.00332 -0.00358 -0.00026 -0.00409 D54 3.13895 -0.00014 -0.00003 -0.00074 -0.00077 3.13819 D55 -0.02234 0.00014 0.02142 -0.00880 0.01274 -0.00960 D56 -3.03318 0.00033 -0.02431 0.00428 -0.02015 -3.05333 D57 3.12691 -0.00020 0.01175 -0.00393 0.00793 3.13484 D58 0.11607 -0.00001 -0.03398 0.00914 -0.02496 0.09111 D59 2.96524 -0.00005 -0.07879 0.00431 -0.07443 2.89081 D60 0.87446 -0.00003 -0.07915 0.00435 -0.07476 0.79970 D61 -1.22134 -0.00011 -0.08047 0.00415 -0.07628 -1.29761 D62 -0.30397 -0.00014 -0.03340 -0.00834 -0.04179 -0.34576 D63 -2.39476 -0.00011 -0.03377 -0.00830 -0.04212 -2.43688 D64 1.79263 -0.00020 -0.03509 -0.00850 -0.04363 1.74900 D65 -2.33161 0.00020 0.09512 0.00039 0.09548 -2.23613 D66 1.84958 0.00021 0.09501 0.00105 0.09604 1.94562 D67 -0.24941 0.00017 0.09854 0.00114 0.09965 -0.14975 D68 0.93936 0.00030 0.04923 0.01315 0.06241 1.00177 D69 -1.16264 0.00030 0.04912 0.01382 0.06297 -1.09967 D70 3.02156 0.00026 0.05265 0.01390 0.06658 3.08815 Item Value Threshold Converged? Maximum Force 0.002093 0.000450 NO RMS Force 0.000320 0.000300 NO Maximum Displacement 0.186575 0.001800 NO RMS Displacement 0.037225 0.001200 NO Predicted change in Energy=-1.032609D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.195505 -4.818052 2.239004 2 6 0 7.188107 -5.018479 3.748419 3 8 0 7.425662 -5.991972 1.538284 4 7 0 7.676205 0.074139 0.313799 5 8 0 3.273733 -0.887685 0.012702 6 6 0 4.330326 -1.326965 0.355333 7 6 0 4.666846 -2.605953 0.925821 8 7 0 3.872200 -3.685675 1.232641 9 6 0 4.679937 -4.538285 1.715214 10 7 0 5.990986 -4.126640 1.767908 11 6 0 5.969716 -2.866943 1.241694 12 7 0 7.046319 -2.061432 1.096681 13 6 0 6.759531 -0.910992 0.572412 14 7 0 5.495784 -0.555781 0.224190 15 1 0 8.000831 -4.157934 1.970498 16 1 0 8.121965 -5.482713 4.043414 17 1 0 7.096063 -4.063405 4.252616 18 6 0 8.913359 -0.213349 0.504555 19 35 0 4.147842 -6.244158 2.276116 20 1 0 5.378191 0.353462 -0.169544 21 1 0 6.371196 -5.653306 4.066449 22 1 0 6.775611 -6.644922 1.764921 23 7 0 9.883263 0.672162 0.327428 24 1 0 9.226721 -1.193982 0.822723 25 6 0 9.565136 2.022075 -0.109491 26 6 0 11.278330 0.296265 0.443631 27 1 0 10.431090 2.649960 0.048024 28 1 0 8.732975 2.407139 0.460015 29 1 0 9.300971 2.039083 -1.160790 30 1 0 11.791006 0.964851 1.124910 31 1 0 11.773810 0.337473 -0.520966 32 1 0 11.356787 -0.710984 0.827389 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522682 0.000000 3 O 1.386386 2.426689 0.000000 4 N 5.279302 6.161949 6.193532 0.000000 5 O 5.982015 6.807450 6.754232 4.516362 0.000000 6 C 4.893379 5.771241 5.722129 3.627633 1.194468 7 C 3.607208 4.488218 4.410363 4.075992 2.393114 8 N 3.652314 4.370440 4.247295 5.426871 3.110492 9 C 2.584707 3.264266 3.111835 5.675917 4.266478 10 N 1.466576 2.480100 2.364420 4.754045 4.577668 11 C 2.510779 3.520973 3.460281 3.524636 3.563175 12 N 2.987660 3.974412 3.973419 2.360153 4.096962 13 C 4.269980 5.209813 5.214691 1.370275 3.530525 14 N 5.011535 5.932944 5.916370 2.271357 2.256635 15 H 1.075362 2.135899 1.970107 4.556367 6.072311 16 H 2.134478 1.083801 2.649501 6.707260 7.801684 17 H 2.152677 1.083907 3.345984 5.741961 6.532402 18 C 5.211778 6.048837 6.055933 1.284363 5.701056 19 Br 3.365026 3.593490 3.369287 7.498061 5.880384 20 H 5.987344 6.890863 6.882829 2.364849 2.449980 21 H 2.171794 1.082354 2.760111 6.970585 6.981281 22 H 1.933524 2.598025 0.948828 6.932720 6.962700 23 N 6.404735 7.165923 7.205321 2.286684 6.798387 24 H 4.389257 5.228998 5.174606 2.066697 6.015648 25 C 7.610382 8.372762 8.456799 2.746213 6.932776 26 C 6.785946 7.476500 7.455416 3.611302 8.103148 27 H 8.428559 9.111247 9.270192 3.780857 7.983981 28 H 7.598159 8.266803 8.568360 2.565352 6.392127 29 H 7.938003 8.852893 8.677536 2.945383 6.802254 30 H 7.470061 7.991853 8.223411 4.287523 8.787084 31 H 7.426826 8.242727 7.950394 4.190053 8.604483 32 H 6.014726 6.668195 6.621778 3.798273 8.125928 6 7 8 9 10 6 C 0.000000 7 C 1.440317 0.000000 8 N 2.557941 1.375282 0.000000 9 C 3.504865 2.087395 1.269747 0.000000 10 N 3.548428 2.185166 2.229399 1.375165 0.000000 11 C 2.417596 1.365783 2.251661 2.163593 1.365354 12 N 2.909580 2.446955 3.568148 3.480969 2.414407 13 C 2.474104 2.716086 4.058503 4.334508 3.515717 14 N 1.403643 2.320049 3.667320 4.330022 3.921648 15 H 4.908742 3.823017 4.220552 3.352339 2.020272 16 H 6.726716 5.471104 5.402804 4.261457 3.399695 17 H 5.506925 4.369535 4.433534 3.535759 2.720104 18 C 4.718750 4.892331 6.164450 6.171923 5.044817 19 Br 5.282187 3.915252 2.776807 1.872897 2.852952 20 H 2.048744 3.234806 4.533074 5.288578 4.919406 21 H 6.054317 4.696244 4.259932 3.103536 2.785418 22 H 6.020550 4.632952 4.179744 2.971908 2.637686 23 N 5.901898 6.189921 7.479508 7.493284 6.344549 24 H 4.920449 4.774594 5.920089 5.714380 4.468091 25 C 6.231802 6.817900 8.172469 8.380515 7.355669 26 C 7.135645 7.236511 8.445658 8.278199 7.019387 27 H 7.289012 7.849946 9.195794 9.355541 8.282200 28 H 5.773891 6.471590 7.832399 8.138892 7.205509 29 H 6.191625 6.885159 8.244569 8.537395 7.586133 30 H 7.842602 7.971445 9.184034 9.011119 7.744479 31 H 7.677480 7.827253 9.038600 8.893624 7.655605 32 H 7.069188 6.953841 8.064245 7.747050 6.429860 11 12 13 14 15 11 C 0.000000 12 N 1.352387 0.000000 13 C 2.213028 1.296387 0.000000 14 N 2.569318 2.330747 1.358120 0.000000 15 H 2.514605 2.463731 3.746746 4.722325 0.000000 16 H 4.395914 4.641704 5.899552 6.764462 2.463066 17 H 3.430135 3.737686 4.857455 5.576068 2.456747 18 C 4.031125 2.692929 2.265014 3.446112 4.305978 19 Br 3.974272 5.223738 6.177879 6.195561 4.392181 20 H 3.565460 3.196512 2.014309 0.997787 5.640099 21 H 3.988012 4.709232 5.903274 6.443140 3.047107 22 H 3.898250 4.639850 5.856645 6.410104 2.780024 23 N 5.355091 4.014043 3.510569 4.557244 5.438112 24 H 3.685433 2.362557 2.495950 3.832158 3.406641 25 C 6.217334 4.947152 4.115737 4.828696 6.705663 26 C 6.230904 4.888264 4.679059 5.849100 5.737003 27 H 7.194784 5.895216 5.141566 5.887704 7.479939 28 H 6.005212 4.818535 3.862267 4.394760 6.776266 29 H 6.398303 5.195561 4.262141 4.809463 7.063876 30 H 6.970200 5.627720 5.398127 6.538611 6.428325 31 H 6.860230 5.542625 5.281773 6.384886 6.375848 32 H 5.817245 4.525081 4.608663 5.894005 4.944755 16 17 18 19 20 16 H 0.000000 17 H 1.763711 0.000000 18 C 6.396564 5.672165 0.000000 19 Br 4.415517 4.165843 7.887918 0.000000 20 H 7.703132 6.481921 3.643227 7.143081 0.000000 21 H 1.759211 1.757235 6.981605 2.915081 7.416937 22 H 2.890489 3.599382 6.893738 2.706861 7.394073 23 N 7.402244 6.752865 1.325223 9.193907 4.543592 24 H 5.475997 4.953529 1.077529 7.308327 4.265016 25 C 8.697770 7.883994 2.408108 10.167045 4.507592 26 C 7.504510 7.141880 2.420021 9.847791 5.932191 27 H 9.350699 8.594781 3.272684 11.115257 5.554550 28 H 8.686993 7.676669 2.627067 9.958244 3.983530 29 H 9.222321 8.450263 2.827908 10.343072 4.383160 30 H 7.971863 7.557009 3.170780 10.569439 6.570662 31 H 8.248885 8.002257 3.088248 10.454516 6.405286 32 H 6.601233 6.412852 2.514399 9.202375 6.153904 21 22 23 24 25 21 H 0.000000 22 H 2.538481 0.000000 23 N 8.144104 8.078590 0.000000 24 H 6.209778 6.050489 2.039328 0.000000 25 C 9.303289 9.295789 1.454086 3.365497 0.000000 26 C 8.520690 8.378565 1.449488 2.563912 2.493872 27 H 10.078427 10.134352 2.071199 4.102018 1.081169 28 H 9.140850 9.352746 2.085878 3.652864 1.079400 29 H 9.750921 9.505218 2.102933 3.793751 1.084113 30 H 9.045827 9.136325 2.088331 3.365625 2.756078 31 H 9.280196 8.886006 2.099037 3.261674 2.808102 32 H 7.731375 7.554982 2.081905 2.184145 3.399613 26 27 28 29 30 26 C 0.000000 27 H 2.532627 0.000000 28 H 3.306795 1.764169 0.000000 29 H 3.085698 1.763964 1.756443 0.000000 30 H 1.083506 2.418398 3.445843 3.546643 0.000000 31 H 1.085194 2.733906 3.806904 3.069167 1.761479 32 H 1.080730 3.572152 4.091705 3.967632 1.756556 31 32 31 H 0.000000 32 H 1.758190 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.267292 -1.942359 0.014656 2 6 0 -1.799329 -2.517945 1.320105 3 8 0 -1.899197 -2.463474 -1.103916 4 7 0 3.352864 0.611916 0.043980 5 8 0 0.209285 3.854556 0.017003 6 6 0 0.365964 2.670409 0.016375 7 6 0 -0.600688 1.602709 0.005735 8 7 0 -1.975324 1.640564 -0.012777 9 6 0 -2.319518 0.418368 -0.007636 10 7 0 -1.274978 -0.475803 0.014116 11 6 0 -0.158727 0.310438 0.013993 12 7 0 1.115960 -0.140771 0.037108 13 6 0 1.997042 0.810178 0.034292 14 7 0 1.659554 2.125676 0.026762 15 1 0 -0.229000 -2.200926 -0.092563 16 1 0 -1.719222 -3.598163 1.283541 17 1 0 -1.216052 -2.150671 2.156617 18 6 0 3.767747 -0.598867 -0.063093 19 35 0 -4.106718 -0.138413 -0.068043 20 1 0 2.411668 2.781343 0.028194 21 1 0 -2.836113 -2.253819 1.483833 22 1 0 -2.835016 -2.315094 -1.053908 23 7 0 5.054282 -0.914341 -0.024112 24 1 0 3.086579 -1.424380 -0.188020 25 6 0 6.054819 0.129015 0.133049 26 6 0 5.505259 -2.272411 -0.254939 27 1 0 6.997215 -0.331759 0.394782 28 1 0 5.757308 0.809818 0.916055 29 1 0 6.177991 0.692010 -0.785192 30 1 0 6.155025 -2.593420 0.550507 31 1 0 6.049880 -2.347570 -1.190558 32 1 0 4.656004 -2.939459 -0.297244 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5664424 0.1450694 0.1184661 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.3034864144 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.41D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000238 -0.000130 -0.000206 Ang= 0.04 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58100077 A.U. after 12 cycles NFock= 12 Conv=0.53D-08 -V/T= 2.0038 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 0.001374026 -0.002057283 -0.000448895 2 6 -0.000260155 0.000210516 -0.000109809 3 8 -0.001180575 0.000717198 0.000556226 4 7 0.000034915 -0.000262105 0.000048336 5 8 0.000131064 0.000170632 -0.000079752 6 6 -0.000714515 -0.001401453 0.000287278 7 6 0.000787351 0.001290148 -0.000355452 8 7 0.000542354 -0.001112197 0.000520315 9 6 -0.000593103 0.000340629 -0.000548981 10 7 -0.000055726 0.001348090 -0.000591801 11 6 -0.000528067 -0.000191710 0.000650272 12 7 -0.000139686 0.000319146 -0.000209965 13 6 -0.000494417 -0.000232048 -0.000171929 14 7 0.001831438 0.000468465 0.000229856 15 1 -0.000227375 0.000421628 -0.000057289 16 1 -0.000033883 0.000084507 0.000074050 17 1 -0.000041605 -0.000017936 0.000024611 18 6 -0.000447655 0.000262074 -0.000002195 19 35 0.000044181 -0.000210592 0.000305257 20 1 -0.000206614 -0.000028932 0.000005743 21 1 -0.000141332 0.000035044 -0.000036572 22 1 0.000410206 0.000051045 -0.000113338 23 7 -0.000317959 -0.000080288 0.000913077 24 1 0.000143764 -0.000022368 -0.000058076 25 6 0.000263146 -0.000230808 -0.000388619 26 6 -0.000369057 0.000177056 -0.000580684 27 1 -0.000037772 0.000058137 0.000089264 28 1 0.000030581 0.000030091 -0.000053705 29 1 0.000106829 -0.000012234 -0.000019395 30 1 0.000005067 -0.000097234 0.000104317 31 1 -0.000027635 0.000137551 0.000056634 32 1 0.000112208 -0.000164770 -0.000038778 ------------------------------------------------------------------- Cartesian Forces: Max 0.002057283 RMS 0.000521634 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001017007 RMS 0.000270632 Search for a local minimum. Step number 24 out of a maximum of 168 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 21 22 23 24 DE= -1.18D-04 DEPred=-1.03D-04 R= 1.14D+00 TightC=F SS= 1.41D+00 RLast= 2.65D-01 DXNew= 1.2622D+00 7.9455D-01 Trust test= 1.14D+00 RLast= 2.65D-01 DXMaxT set to 7.95D-01 ITU= 1 1 1 1 1 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 ITU= 1 1 1 0 Eigenvalues --- 0.00166 0.00305 0.00727 0.01043 0.01273 Eigenvalues --- 0.01454 0.01671 0.01689 0.01764 0.01883 Eigenvalues --- 0.01967 0.02075 0.02209 0.02250 0.02444 Eigenvalues --- 0.02562 0.02675 0.03359 0.04323 0.05500 Eigenvalues --- 0.05583 0.05738 0.05958 0.06518 0.07299 Eigenvalues --- 0.07610 0.07648 0.07807 0.07840 0.08972 Eigenvalues --- 0.15444 0.15724 0.15984 0.16000 0.16009 Eigenvalues --- 0.16013 0.16028 0.16039 0.16126 0.16264 Eigenvalues --- 0.16556 0.17156 0.18862 0.20264 0.21438 Eigenvalues --- 0.22313 0.23577 0.23904 0.24493 0.24852 Eigenvalues --- 0.24923 0.25018 0.25343 0.25808 0.27070 Eigenvalues --- 0.29229 0.29834 0.32348 0.33306 0.33683 Eigenvalues --- 0.33739 0.33745 0.33748 0.33767 0.33823 Eigenvalues --- 0.33934 0.33985 0.34503 0.35967 0.37317 Eigenvalues --- 0.38380 0.39711 0.40735 0.41174 0.42526 Eigenvalues --- 0.43867 0.44806 0.46632 0.48359 0.48664 Eigenvalues --- 0.49224 0.50868 0.52830 0.54533 0.56553 Eigenvalues --- 0.60949 0.69986 0.76365 0.79371 0.87698 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 24 23 22 21 20 RFO step: Lambda=-6.37177190D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.48522 -0.34177 -0.31986 0.04313 0.13327 Iteration 1 RMS(Cart)= 0.01462148 RMS(Int)= 0.00018150 Iteration 2 RMS(Cart)= 0.00019501 RMS(Int)= 0.00000873 Iteration 3 RMS(Cart)= 0.00000004 RMS(Int)= 0.00000873 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87745 -0.00009 0.00070 -0.00070 -0.00001 2.87744 R2 2.61989 -0.00100 -0.00141 -0.00104 -0.00245 2.61744 R3 2.77143 0.00014 0.00018 0.00139 0.00157 2.77299 R4 2.03214 0.00010 -0.00012 0.00026 0.00014 2.03228 R5 2.04809 -0.00005 -0.00004 0.00001 -0.00002 2.04806 R6 2.04829 -0.00000 0.00008 -0.00012 -0.00004 2.04825 R7 2.04535 0.00008 0.00010 0.00012 0.00022 2.04558 R8 1.79302 -0.00034 0.00027 -0.00054 -0.00027 1.79276 R9 2.58945 -0.00050 -0.00020 -0.00060 -0.00080 2.58865 R10 2.42709 -0.00053 0.00036 -0.00056 -0.00020 2.42689 R11 2.25722 -0.00003 -0.00007 0.00007 -0.00000 2.25721 R12 2.72180 -0.00078 0.00004 -0.00090 -0.00087 2.72094 R13 2.65250 0.00074 -0.00046 0.00128 0.00082 2.65332 R14 2.59891 0.00065 -0.00044 0.00107 0.00062 2.59953 R15 2.58096 -0.00052 -0.00026 -0.00001 -0.00028 2.58068 R16 2.39947 -0.00102 0.00012 -0.00057 -0.00045 2.39902 R17 2.59869 -0.00014 -0.00048 0.00020 -0.00028 2.59841 R18 3.53926 0.00027 0.00057 0.00061 0.00118 3.54044 R19 2.58014 -0.00058 0.00008 -0.00051 -0.00043 2.57971 R20 2.55564 -0.00016 -0.00039 0.00014 -0.00025 2.55539 R21 2.44982 -0.00045 0.00003 -0.00009 -0.00006 2.44976 R22 2.56647 -0.00102 -0.00052 -0.00086 -0.00138 2.56509 R23 1.88554 -0.00000 0.00001 0.00001 0.00002 1.88556 R24 2.50431 -0.00030 -0.00053 0.00026 -0.00027 2.50404 R25 2.03623 0.00005 -0.00018 0.00023 0.00005 2.03628 R26 2.74782 -0.00011 -0.00040 0.00013 -0.00026 2.74756 R27 2.73913 -0.00032 -0.00084 0.00013 -0.00071 2.73843 R28 2.04311 0.00002 0.00029 -0.00001 0.00028 2.04339 R29 2.03977 -0.00004 -0.00058 0.00002 -0.00056 2.03921 R30 2.04868 -0.00001 0.00017 0.00005 0.00022 2.04889 R31 2.04753 0.00001 0.00078 -0.00024 0.00054 2.04807 R32 2.05072 -0.00006 -0.00051 0.00011 -0.00040 2.05032 R33 2.04228 0.00015 -0.00017 0.00028 0.00010 2.04239 A1 1.97184 0.00045 0.00095 0.00055 0.00150 1.97334 A2 1.95680 -0.00069 0.00006 -0.00297 -0.00290 1.95389 A3 1.90917 0.00019 0.00192 -0.00019 0.00175 1.91091 A4 1.95324 -0.00002 -0.00117 0.00029 -0.00088 1.95236 A5 1.84342 0.00008 -0.00013 0.00164 0.00151 1.84493 A6 1.81880 0.00001 -0.00178 0.00100 -0.00078 1.81802 A7 1.89865 0.00016 0.00176 0.00014 0.00189 1.90054 A8 1.92361 0.00002 0.00081 -0.00081 -0.00001 1.92361 A9 1.95211 -0.00014 -0.00218 0.00056 -0.00162 1.95049 A10 1.90074 -0.00007 0.00026 -0.00032 -0.00006 1.90067 A11 1.89560 0.00004 0.00060 -0.00004 0.00056 1.89616 A12 1.89235 -0.00001 -0.00119 0.00046 -0.00074 1.89161 A13 1.92649 0.00039 -0.00002 0.00131 0.00129 1.92778 A14 2.04365 -0.00043 0.00041 -0.00170 -0.00129 2.04236 A15 2.27426 0.00032 0.00040 0.00061 0.00100 2.27526 A16 2.10089 -0.00019 -0.00029 -0.00059 -0.00088 2.10001 A17 1.90804 -0.00014 -0.00011 -0.00002 -0.00013 1.90791 A18 2.27906 0.00006 0.00027 0.00008 0.00034 2.27941 A19 2.07621 0.00012 -0.00067 0.00073 0.00006 2.07628 A20 1.92791 -0.00018 0.00040 -0.00081 -0.00041 1.92750 A21 1.81769 0.00007 0.00007 0.00024 0.00032 1.81801 A22 2.00429 -0.00013 -0.00048 0.00007 -0.00038 2.00391 A23 2.14681 0.00035 -0.00002 0.00022 0.00022 2.14703 A24 2.13179 -0.00022 0.00051 -0.00024 0.00027 2.13206 A25 2.28393 -0.00100 0.00006 -0.00136 -0.00134 2.28259 A26 2.17920 0.00066 -0.00047 0.00147 0.00097 2.18017 A27 1.81992 0.00033 0.00060 -0.00013 0.00046 1.82039 A28 1.85490 -0.00009 -0.00063 0.00065 0.00003 1.85494 A29 2.24054 0.00002 0.00079 -0.00074 0.00005 2.24060 A30 2.18763 0.00008 -0.00016 0.00012 -0.00004 2.18759 A31 1.97776 -0.00004 -0.00023 0.00013 -0.00010 1.97766 A32 2.17284 -0.00001 0.00161 -0.00114 0.00047 2.17331 A33 1.96716 -0.00015 -0.00110 0.00052 -0.00059 1.96657 A34 2.14318 0.00016 -0.00051 0.00063 0.00012 2.14331 A35 2.22051 -0.00012 0.00072 -0.00071 0.00001 2.22052 A36 2.02603 -0.00014 -0.00038 -0.00044 -0.00082 2.02521 A37 2.03664 0.00025 -0.00034 0.00115 0.00082 2.03746 A38 2.13597 0.00024 -0.00003 0.00125 0.00122 2.13718 A39 2.12667 0.00002 -0.00043 0.00004 -0.00040 2.12628 A40 2.02054 -0.00025 0.00047 -0.00129 -0.00082 2.01972 A41 2.09482 0.00050 0.00201 0.00099 0.00303 2.09785 A42 2.11812 -0.00002 0.00222 -0.00138 0.00087 2.11899 A43 2.06622 -0.00050 -0.00326 -0.00058 -0.00382 2.06241 A44 1.89667 0.00002 -0.00055 0.00056 0.00001 1.89668 A45 1.91911 0.00008 -0.00048 0.00025 -0.00022 1.91889 A46 1.93827 -0.00005 0.00023 -0.00035 -0.00012 1.93815 A47 1.91075 -0.00008 0.00059 -0.00067 -0.00008 1.91067 A48 1.90428 -0.00000 -0.00070 0.00021 -0.00049 1.90378 A49 1.89462 0.00002 0.00092 -0.00002 0.00090 1.89552 A50 1.92387 0.00003 0.00161 0.00006 0.00167 1.92554 A51 1.93728 -0.00009 -0.00247 0.00034 -0.00213 1.93515 A52 1.91775 0.00016 0.00000 0.00064 0.00064 1.91839 A53 1.89592 -0.00000 0.00023 -0.00033 -0.00010 1.89582 A54 1.89387 -0.00008 0.00045 -0.00012 0.00033 1.89420 A55 1.89428 -0.00002 0.00022 -0.00061 -0.00040 1.89389 D1 0.96840 0.00026 0.00068 0.00062 0.00130 0.96970 D2 3.05119 0.00029 0.00255 -0.00017 0.00238 3.05358 D3 -1.12545 0.00019 0.00014 0.00023 0.00036 -1.12509 D4 -3.08810 0.00003 -0.00007 -0.00104 -0.00111 -3.08921 D5 -1.00531 0.00005 0.00179 -0.00182 -0.00003 -1.00533 D6 1.10123 -0.00004 -0.00062 -0.00143 -0.00204 1.09919 D7 -1.07955 -0.00024 -0.00103 -0.00164 -0.00267 -1.08223 D8 1.00324 -0.00022 0.00084 -0.00243 -0.00159 1.00165 D9 3.10977 -0.00031 -0.00158 -0.00203 -0.00361 3.10617 D10 0.99954 -0.00045 -0.00331 -0.00349 -0.00680 0.99274 D11 -1.22901 0.00013 -0.00320 -0.00012 -0.00333 -1.23234 D12 3.08579 0.00008 -0.00048 -0.00235 -0.00283 3.08296 D13 -1.20236 -0.00005 -0.00579 -0.00064 -0.00643 -1.20879 D14 1.95968 -0.00013 -0.01544 0.00030 -0.01514 1.94454 D15 1.03420 -0.00003 -0.00541 -0.00211 -0.00752 1.02668 D16 -2.08694 -0.00011 -0.01507 -0.00117 -0.01623 -2.10317 D17 3.01787 0.00007 -0.00708 0.00049 -0.00658 3.01129 D18 -0.10328 -0.00002 -0.01673 0.00143 -0.01529 -0.11857 D19 0.10491 0.00008 -0.01694 0.00631 -0.01063 0.09428 D20 -3.04113 0.00006 -0.01986 0.01052 -0.00933 -3.05046 D21 -3.10426 -0.00005 -0.00449 -0.00039 -0.00489 -3.10915 D22 0.03431 0.00008 -0.00132 0.00137 0.00004 0.03435 D23 0.00582 -0.00000 -0.00124 -0.00209 -0.00334 0.00248 D24 -3.13617 -0.00001 -0.00113 -0.00215 -0.00328 -3.13945 D25 -3.13545 -0.00004 0.00073 -0.00068 0.00006 -3.13539 D26 0.00575 -0.00004 0.00085 -0.00073 0.00012 0.00587 D27 3.13531 0.00004 0.00159 0.00174 0.00332 3.13863 D28 -0.00697 0.00001 0.00172 0.00054 0.00225 -0.00472 D29 -0.00657 0.00007 -0.00016 0.00048 0.00033 -0.00625 D30 3.13433 0.00004 -0.00003 -0.00072 -0.00075 3.13359 D31 -3.13583 -0.00003 0.00033 -0.00163 -0.00129 -3.13712 D32 0.00614 -0.00003 0.00022 -0.00158 -0.00135 0.00478 D33 3.13148 0.00008 -0.00062 0.00285 0.00222 3.13370 D34 0.00523 -0.00002 -0.00095 -0.00019 -0.00114 0.00408 D35 -0.01044 0.00008 -0.00053 0.00280 0.00227 -0.00817 D36 -3.13669 -0.00002 -0.00086 -0.00023 -0.00109 -3.13778 D37 0.00065 -0.00003 0.00018 -0.00029 -0.00012 0.00054 D38 -3.11539 -0.00019 -0.00251 -0.00270 -0.00521 -3.12060 D39 -3.13126 0.00000 -0.00866 0.00277 -0.00589 -3.13715 D40 -0.00698 0.00008 -0.00051 0.00199 0.00149 -0.00549 D41 -0.01496 0.00017 -0.00600 0.00516 -0.00085 -0.01581 D42 3.10932 0.00024 0.00216 0.00438 0.00653 3.11585 D43 3.13571 -0.00004 0.00812 -0.00352 0.00461 3.14032 D44 -0.02063 0.00006 0.00845 -0.00061 0.00785 -0.01279 D45 0.01007 -0.00009 0.00060 -0.00277 -0.00217 0.00790 D46 3.13692 0.00001 0.00092 0.00014 0.00106 3.13798 D47 -0.01556 0.00005 0.00015 0.00142 0.00157 -0.01399 D48 -3.13909 -0.00006 -0.00023 -0.00216 -0.00239 -3.14148 D49 -3.13211 -0.00005 -0.00257 0.00298 0.00041 -3.13171 D50 0.01435 -0.00002 0.00062 -0.00164 -0.00102 0.01333 D51 -3.14133 -0.00002 0.00222 -0.00333 -0.00112 3.14074 D52 0.00095 0.00001 0.00209 -0.00212 -0.00004 0.00091 D53 -0.00409 -0.00004 -0.00064 0.00080 0.00016 -0.00394 D54 3.13819 -0.00001 -0.00077 0.00201 0.00124 3.13942 D55 -0.00960 -0.00002 0.00565 -0.00402 0.00165 -0.00795 D56 -3.05333 0.00022 -0.00688 0.00771 0.00080 -3.05253 D57 3.13484 -0.00015 0.00266 -0.00569 -0.00300 3.13184 D58 0.09111 0.00010 -0.00986 0.00604 -0.00385 0.08727 D59 2.89081 0.00003 -0.03214 0.00269 -0.02943 2.86138 D60 0.79970 0.00006 -0.03224 0.00302 -0.02921 0.77049 D61 -1.29761 0.00001 -0.03322 0.00310 -0.03011 -1.32772 D62 -0.34576 -0.00018 -0.01961 -0.00874 -0.02837 -0.37413 D63 -2.43688 -0.00015 -0.01971 -0.00842 -0.02814 -2.46502 D64 1.74900 -0.00020 -0.02070 -0.00834 -0.02904 1.71996 D65 -2.23613 0.00001 0.04174 -0.00269 0.03904 -2.19709 D66 1.94562 0.00004 0.04199 -0.00253 0.03945 1.98507 D67 -0.14975 0.00002 0.04330 -0.00240 0.04090 -0.10886 D68 1.00177 0.00019 0.02906 0.00878 0.03784 1.03961 D69 -1.09967 0.00023 0.02931 0.00893 0.03825 -1.06141 D70 3.08815 0.00021 0.03062 0.00906 0.03970 3.12784 Item Value Threshold Converged? Maximum Force 0.001017 0.000450 NO RMS Force 0.000271 0.000300 YES Maximum Displacement 0.069287 0.001800 NO RMS Displacement 0.014628 0.001200 NO Predicted change in Energy=-3.150391D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.197899 -4.822551 2.231475 2 6 0 7.193342 -5.009834 3.742584 3 8 0 7.418592 -6.001768 1.539219 4 7 0 7.672839 0.074758 0.314402 5 8 0 3.271255 -0.885977 0.022254 6 6 0 4.327879 -1.326066 0.363746 7 6 0 4.665963 -2.606192 0.929579 8 7 0 3.872418 -3.687262 1.235974 9 6 0 4.681676 -4.541573 1.712318 10 7 0 5.992767 -4.130057 1.760957 11 6 0 5.969575 -2.868033 1.241027 12 7 0 7.045890 -2.062704 1.094131 13 6 0 6.757487 -0.910657 0.574371 14 7 0 5.493406 -0.554418 0.231297 15 1 0 8.003666 -4.166710 1.953678 16 1 0 8.125051 -5.476014 4.041236 17 1 0 7.106129 -4.050089 4.238660 18 6 0 8.909394 -0.211069 0.510731 19 35 0 4.150197 -6.247013 2.277186 20 1 0 5.374071 0.355534 -0.160291 21 1 0 6.372997 -5.637358 4.066614 22 1 0 6.769411 -6.651730 1.776119 23 7 0 9.880792 0.671548 0.328489 24 1 0 9.221868 -1.190294 0.834153 25 6 0 9.569698 2.019433 -0.119160 26 6 0 11.275066 0.296041 0.450648 27 1 0 10.427781 2.651555 0.063487 28 1 0 8.719496 2.400963 0.424953 29 1 0 9.337636 2.034199 -1.178159 30 1 0 11.779179 0.944960 1.157317 31 1 0 11.780127 0.367815 -0.506926 32 1 0 11.352454 -0.722438 0.803930 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522678 0.000000 3 O 1.385090 2.426826 0.000000 4 N 5.280565 6.151051 6.203949 0.000000 5 O 5.982959 6.799251 6.758173 4.514676 0.000000 6 C 4.893960 5.761734 5.726817 3.626775 1.194465 7 C 3.608030 4.480864 4.413453 4.075198 2.393237 8 N 3.652223 4.365872 4.245497 5.426351 3.111544 9 C 2.584541 3.263390 3.106902 5.675538 4.267198 10 N 1.467406 2.478354 2.363355 4.753486 4.577528 11 C 2.511953 3.513219 3.465380 3.524168 3.562988 12 N 2.988882 3.965050 3.981612 2.360039 4.096520 13 C 4.271167 5.199115 5.223734 1.369853 3.529767 14 N 5.012282 5.921964 5.923734 2.269955 2.256455 15 H 1.075434 2.137211 1.970159 4.559246 6.073658 16 H 2.135851 1.083788 2.652468 6.701108 7.796152 17 H 2.152653 1.083886 3.345694 5.721479 6.518891 18 C 5.211136 6.034721 6.067328 1.284255 5.699362 19 Br 3.364472 3.597045 3.359635 7.498421 5.882003 20 H 5.988277 6.879634 6.890841 2.364001 2.448777 21 H 2.170740 1.082472 2.759309 6.956792 6.968018 22 H 1.933092 2.596637 0.948688 6.942510 6.968288 23 N 6.403467 7.152380 7.215361 2.287229 6.797473 24 H 4.386599 5.211792 5.186444 2.066396 6.013451 25 C 7.613387 8.364851 8.468597 2.750966 6.937708 26 C 6.781933 7.459868 7.464568 3.611589 8.101956 27 H 8.425827 9.093637 9.279709 3.780549 7.983214 28 H 7.599864 8.261703 8.575536 2.553222 6.375694 29 H 7.951043 8.856077 8.697334 2.972994 6.838815 30 H 7.443529 7.948149 8.210821 4.281330 8.776416 31 H 7.445506 8.247184 7.986319 4.198843 8.617014 32 H 6.009088 6.657001 6.624745 3.796673 8.120562 6 7 8 9 10 6 C 0.000000 7 C 1.439858 0.000000 8 N 2.558021 1.375610 0.000000 9 C 3.504755 2.087733 1.269508 0.000000 10 N 3.547734 2.184894 2.228801 1.375017 0.000000 11 C 2.417117 1.365637 2.251495 2.163686 1.365126 12 N 2.909241 2.446734 3.567945 3.480870 2.414057 13 C 2.473848 2.715784 4.058432 4.334451 3.515298 14 N 1.404079 2.319922 3.667654 4.330096 3.921022 15 H 4.910046 3.824168 4.220448 3.351775 2.020445 16 H 6.720455 5.466587 5.399446 4.260736 3.399692 17 H 5.491261 4.357668 4.427715 3.535807 2.717533 18 C 4.717532 4.890680 6.162874 6.170144 5.042642 19 Br 5.282854 3.916330 2.777339 1.873518 2.853605 20 H 2.048636 3.234355 4.533069 5.288453 4.918791 21 H 6.039949 4.684328 4.250682 3.099036 2.780753 22 H 6.026490 4.637619 4.180000 2.969086 2.638606 23 N 5.901402 6.188645 7.478189 7.491490 6.342248 24 H 4.918420 4.771808 5.917172 5.711006 4.464109 25 C 6.237165 6.822234 8.176903 8.384144 7.358363 26 C 7.134578 7.234126 8.442905 8.274486 7.014979 27 H 7.288377 7.848093 9.193917 9.352939 8.278950 28 H 5.760277 6.461995 7.824219 8.133886 7.202373 29 H 6.226276 6.913777 8.272348 8.559999 7.604248 30 H 7.830018 7.953640 9.164089 8.988026 7.720281 31 H 7.691769 7.843443 9.056115 8.911518 7.672528 32 H 7.064190 6.947912 8.057778 7.740170 6.422928 11 12 13 14 15 11 C 0.000000 12 N 1.352252 0.000000 13 C 2.212816 1.296356 0.000000 14 N 2.568873 2.330153 1.357389 0.000000 15 H 2.516338 2.466373 3.749311 4.724050 0.000000 16 H 4.391903 4.636885 5.893375 6.757462 2.467166 17 H 3.416843 3.720402 4.837830 5.556937 2.457706 18 C 4.029308 2.691014 2.263665 3.444553 4.306916 19 Br 3.975081 5.224279 6.178530 6.196411 4.391075 20 H 3.565067 3.196315 2.014152 0.997795 5.642191 21 H 3.976915 4.697509 5.889422 6.428034 3.047357 22 H 3.904155 4.647656 5.865515 6.418090 2.780331 23 N 5.353408 4.012357 3.509824 4.556489 5.438159 24 H 3.682087 2.358722 2.493765 3.830040 3.405349 25 C 6.220797 4.950306 4.120066 4.833599 6.709506 26 C 6.227704 4.885047 4.677601 5.847990 5.733873 27 H 7.192222 5.892678 5.140177 5.886806 7.479164 28 H 5.999197 4.813843 3.852095 4.379433 6.781131 29 H 6.420916 5.215363 4.289604 4.844130 7.073835 30 H 6.949634 5.608392 5.385214 6.528138 6.404518 31 H 6.876669 5.557321 5.294395 6.396745 6.393602 32 H 5.811197 4.519627 4.604546 5.889361 4.939566 16 17 18 19 20 16 H 0.000000 17 H 1.763644 0.000000 18 C 6.387433 5.646883 0.000000 19 Br 4.416534 4.172696 7.886884 0.000000 20 H 7.695951 6.462222 3.642777 7.143724 0.000000 21 H 1.759650 1.756845 6.965789 2.917975 7.401306 22 H 2.889779 3.598059 6.903828 2.697248 7.402595 23 N 7.393215 6.729193 1.325081 9.192585 4.544151 24 H 5.464044 4.923967 1.077554 7.305792 4.264276 25 C 8.693539 7.867583 2.409960 10.170919 4.513705 26 C 7.492098 7.114627 2.420160 9.844367 5.932835 27 H 9.337153 8.566065 3.271107 11.112742 5.555338 28 H 8.687786 7.665728 2.620331 9.954735 3.964614 29 H 9.225818 8.446307 2.842001 10.364719 4.423100 30 H 7.930860 7.502172 3.160719 10.544190 6.565739 31 H 8.258068 7.992792 3.100297 10.474878 6.415440 32 H 6.594904 6.395460 2.513166 9.195864 6.150838 21 22 23 24 25 21 H 0.000000 22 H 2.536230 0.000000 23 N 8.128991 8.087442 0.000000 24 H 6.192031 6.060456 2.038708 0.000000 25 C 9.293334 9.307135 1.453948 3.366325 0.000000 26 C 8.503571 8.386258 1.449113 2.563570 2.490591 27 H 10.058448 10.142381 2.071196 4.099751 1.081317 28 H 9.131394 9.358404 2.085376 3.649240 1.079105 29 H 9.754461 9.527271 2.102813 3.802651 1.084227 30 H 9.000984 9.120876 2.089398 3.347175 2.768699 31 H 9.285280 8.921524 2.097057 3.281903 2.786432 32 H 7.719879 7.556847 2.082073 2.181558 3.398260 26 27 28 29 30 26 C 0.000000 27 H 2.533028 0.000000 28 H 3.310936 1.763999 0.000000 29 H 3.070479 1.763868 1.756867 0.000000 30 H 1.083793 2.436228 3.466694 3.549933 0.000000 31 H 1.084982 2.714715 3.790720 3.032021 1.761477 32 H 1.080785 3.575906 4.102649 3.948064 1.757041 31 32 31 H 0.000000 32 H 1.757811 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.267362 -1.942823 0.009141 2 6 0 -1.787528 -2.512628 1.321885 3 8 0 -1.911462 -2.463020 -1.101267 4 7 0 3.352735 0.614119 0.042599 5 8 0 0.209668 3.854941 0.019929 6 6 0 0.365509 2.670685 0.019856 7 6 0 -0.600487 1.603041 0.006460 8 7 0 -1.975468 1.640031 -0.012632 9 6 0 -2.319150 0.417929 -0.011879 10 7 0 -1.274062 -0.475434 0.007187 11 6 0 -0.158242 0.311007 0.012222 12 7 0 1.116420 -0.139941 0.033839 13 6 0 1.997171 0.811277 0.034058 14 7 0 1.659601 2.126014 0.029617 15 1 0 -0.230101 -2.201419 -0.108233 16 1 0 -1.711519 -3.593278 1.289994 17 1 0 -1.195392 -2.143336 2.151226 18 6 0 3.766696 -0.597518 -0.056810 19 35 0 -4.106887 -0.139776 -0.066958 20 1 0 2.411057 2.782445 0.032141 21 1 0 -2.821720 -2.243434 1.494306 22 1 0 -2.846849 -2.316747 -1.040740 23 7 0 5.052899 -0.914425 -0.023787 24 1 0 3.084478 -1.423242 -0.174634 25 6 0 6.058859 0.125490 0.119691 26 6 0 5.501636 -2.274139 -0.246821 27 1 0 6.994008 -0.334835 0.407516 28 1 0 5.755281 0.828949 0.879594 29 1 0 6.199889 0.662016 -0.811866 30 1 0 6.125000 -2.604567 0.575882 31 1 0 6.073747 -2.346627 -1.165853 32 1 0 4.650019 -2.935603 -0.319683 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5666824 0.1450738 0.1184693 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.5050436547 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.40D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000232 -0.000131 0.000052 Ang= 0.03 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58105076 A.U. after 11 cycles NFock= 11 Conv=0.43D-08 -V/T= 2.0038 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 0.000695730 -0.001174285 -0.000309964 2 6 -0.000271456 0.000147467 -0.000068293 3 8 -0.000619417 0.000206633 0.000215689 4 7 0.000319890 -0.000031653 0.000290931 5 8 0.000019493 0.000142364 0.000172853 6 6 -0.000491026 -0.001129362 -0.000349975 7 6 0.000415420 0.000902155 -0.000003431 8 7 0.000246178 -0.000837132 0.000244034 9 6 -0.000548596 0.000384973 -0.000278126 10 7 0.000166179 0.001091789 -0.000218786 11 6 -0.000289059 -0.000437585 0.000319972 12 7 -0.000041947 0.000189867 -0.000002315 13 6 -0.000500626 -0.000207677 -0.000168752 14 7 0.000957446 0.000371487 0.000266591 15 1 -0.000116576 0.000285064 0.000034275 16 1 -0.000010720 0.000036988 0.000013360 17 1 0.000006559 0.000011351 -0.000006380 18 6 -0.000086341 0.000041341 -0.000689899 19 35 0.000043131 0.000007842 0.000139963 20 1 -0.000119805 -0.000037548 0.000013897 21 1 -0.000048411 -0.000010470 0.000004214 22 1 0.000332927 0.000033535 -0.000065259 23 7 -0.000215063 0.000184503 0.000851858 24 1 0.000107823 0.000085446 0.000113777 25 6 0.000157953 -0.000229938 -0.000237361 26 6 -0.000191089 0.000012349 -0.000276475 27 1 -0.000058521 0.000045164 0.000107044 28 1 -0.000025479 0.000035715 -0.000045288 29 1 0.000074728 -0.000015580 -0.000041619 30 1 0.000015768 -0.000038726 -0.000001452 31 1 -0.000030637 0.000037210 -0.000002722 32 1 0.000105542 -0.000103287 -0.000022361 ------------------------------------------------------------------- Cartesian Forces: Max 0.001174285 RMS 0.000349902 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000740951 RMS 0.000158589 Search for a local minimum. Step number 25 out of a maximum of 168 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 21 22 23 24 25 DE= -5.00D-05 DEPred=-3.15D-05 R= 1.59D+00 TightC=F SS= 1.41D+00 RLast= 1.26D-01 DXNew= 1.3363D+00 3.7783D-01 Trust test= 1.59D+00 RLast= 1.26D-01 DXMaxT set to 7.95D-01 ITU= 1 1 1 1 1 1 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 ITU= 1 1 1 1 0 Eigenvalues --- 0.00140 0.00305 0.00654 0.01048 0.01271 Eigenvalues --- 0.01353 0.01669 0.01693 0.01758 0.01887 Eigenvalues --- 0.01940 0.02118 0.02247 0.02319 0.02560 Eigenvalues --- 0.02596 0.02677 0.03358 0.04326 0.05496 Eigenvalues --- 0.05607 0.05700 0.05927 0.06602 0.07262 Eigenvalues --- 0.07618 0.07642 0.07823 0.07844 0.08986 Eigenvalues --- 0.15403 0.15636 0.15981 0.16001 0.16003 Eigenvalues --- 0.16013 0.16024 0.16037 0.16126 0.16304 Eigenvalues --- 0.16521 0.17112 0.18874 0.19745 0.21440 Eigenvalues --- 0.22326 0.23581 0.23794 0.24376 0.24823 Eigenvalues --- 0.24882 0.25035 0.25233 0.25751 0.27534 Eigenvalues --- 0.29313 0.29831 0.32350 0.32951 0.33685 Eigenvalues --- 0.33737 0.33745 0.33753 0.33767 0.33813 Eigenvalues --- 0.33885 0.33952 0.34503 0.34908 0.37104 Eigenvalues --- 0.38358 0.39429 0.40735 0.41207 0.42082 Eigenvalues --- 0.43687 0.44533 0.46966 0.48640 0.48849 Eigenvalues --- 0.49129 0.50783 0.52613 0.53753 0.56267 Eigenvalues --- 0.61280 0.69578 0.72370 0.79065 0.87638 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 25 24 23 22 21 20 RFO step: Lambda=-4.69714154D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.45042 0.01034 -0.91236 0.16399 0.22712 RFO-DIIS coefs: 0.06048 Iteration 1 RMS(Cart)= 0.01311190 RMS(Int)= 0.00016703 Iteration 2 RMS(Cart)= 0.00017309 RMS(Int)= 0.00002723 Iteration 3 RMS(Cart)= 0.00000003 RMS(Int)= 0.00002723 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87744 -0.00008 -0.00033 0.00042 0.00009 2.87753 R2 2.61744 -0.00033 -0.00307 0.00073 -0.00235 2.61509 R3 2.77299 0.00013 0.00220 -0.00041 0.00179 2.77479 R4 2.03228 0.00008 0.00010 0.00013 0.00023 2.03251 R5 2.04806 -0.00002 -0.00016 0.00021 0.00005 2.04811 R6 2.04825 0.00001 0.00002 -0.00006 -0.00004 2.04821 R7 2.04558 0.00004 0.00030 -0.00016 0.00013 2.04571 R8 1.79276 -0.00027 -0.00062 0.00020 -0.00042 1.79234 R9 2.58865 0.00012 -0.00007 0.00002 -0.00006 2.58859 R10 2.42689 -0.00019 0.00016 -0.00052 -0.00036 2.42653 R11 2.25721 -0.00001 -0.00010 0.00006 -0.00004 2.25718 R12 2.72094 -0.00054 -0.00128 -0.00018 -0.00146 2.71948 R13 2.65332 0.00060 0.00141 0.00013 0.00154 2.65487 R14 2.59953 0.00037 0.00028 0.00073 0.00100 2.60053 R15 2.58068 -0.00020 -0.00021 -0.00003 -0.00024 2.58044 R16 2.39902 -0.00074 -0.00058 -0.00039 -0.00097 2.39806 R17 2.59841 0.00007 -0.00099 0.00122 0.00023 2.59863 R18 3.54044 0.00002 0.00078 -0.00002 0.00076 3.54119 R19 2.57971 -0.00057 -0.00066 -0.00047 -0.00113 2.57858 R20 2.55539 -0.00004 -0.00052 0.00033 -0.00019 2.55519 R21 2.44976 -0.00021 0.00015 -0.00023 -0.00008 2.44968 R22 2.56509 -0.00037 -0.00166 0.00041 -0.00125 2.56384 R23 1.88556 -0.00003 -0.00002 -0.00001 -0.00003 1.88553 R24 2.50404 -0.00022 -0.00054 0.00028 -0.00025 2.50379 R25 2.03628 -0.00001 -0.00026 0.00029 0.00003 2.03631 R26 2.74756 -0.00012 -0.00021 -0.00021 -0.00043 2.74714 R27 2.73843 -0.00010 -0.00092 0.00043 -0.00048 2.73794 R28 2.04339 -0.00000 0.00030 -0.00011 0.00019 2.04358 R29 2.03921 0.00001 -0.00043 0.00008 -0.00035 2.03886 R30 2.04889 0.00002 0.00014 0.00011 0.00024 2.04913 R31 2.04807 -0.00002 0.00059 -0.00024 0.00035 2.04842 R32 2.05032 -0.00001 -0.00042 0.00017 -0.00025 2.05007 R33 2.04239 0.00010 0.00021 -0.00001 0.00020 2.04259 A1 1.97334 0.00022 0.00163 0.00081 0.00244 1.97577 A2 1.95389 -0.00047 -0.00379 0.00060 -0.00318 1.95071 A3 1.91091 0.00011 0.00309 -0.00211 0.00099 1.91190 A4 1.95236 0.00014 -0.00048 0.00002 -0.00045 1.95191 A5 1.84493 0.00003 0.00133 0.00087 0.00220 1.84713 A6 1.81802 -0.00001 -0.00160 -0.00039 -0.00198 1.81604 A7 1.90054 0.00003 0.00226 -0.00056 0.00170 1.90224 A8 1.92361 -0.00002 0.00002 -0.00033 -0.00031 1.92329 A9 1.95049 -0.00001 -0.00222 0.00126 -0.00096 1.94954 A10 1.90067 -0.00001 0.00036 -0.00073 -0.00037 1.90030 A11 1.89616 0.00001 0.00074 -0.00031 0.00044 1.89660 A12 1.89161 0.00001 -0.00111 0.00062 -0.00050 1.89111 A13 1.92778 0.00029 0.00129 0.00066 0.00195 1.92973 A14 2.04236 0.00017 0.00079 -0.00080 -0.00002 2.04234 A15 2.27526 0.00015 0.00130 -0.00012 0.00118 2.27644 A16 2.10001 -0.00004 -0.00106 0.00021 -0.00085 2.09916 A17 1.90791 -0.00010 -0.00025 -0.00008 -0.00033 1.90758 A18 2.27941 -0.00004 0.00030 -0.00029 0.00000 2.27941 A19 2.07628 0.00011 -0.00037 0.00071 0.00034 2.07662 A20 1.92750 -0.00007 0.00007 -0.00042 -0.00035 1.92716 A21 1.81801 -0.00008 -0.00024 0.00017 -0.00006 1.81795 A22 2.00391 0.00006 0.00000 -0.00005 -0.00003 2.00387 A23 2.14703 0.00010 0.00009 -0.00017 -0.00009 2.14694 A24 2.13206 -0.00016 -0.00003 0.00022 0.00018 2.13224 A25 2.28259 -0.00049 -0.00170 0.00018 -0.00155 2.28104 A26 2.18017 0.00037 0.00120 0.00014 0.00130 2.18147 A27 1.82039 0.00011 0.00065 -0.00036 0.00028 1.82066 A28 1.85494 -0.00003 -0.00048 0.00064 0.00017 1.85511 A29 2.24060 0.00003 0.00073 -0.00066 0.00006 2.24066 A30 2.18759 -0.00001 -0.00020 -0.00000 -0.00022 2.18737 A31 1.97766 0.00000 -0.00016 0.00005 -0.00010 1.97756 A32 2.17331 -0.00009 0.00049 -0.00053 -0.00004 2.17326 A33 1.96657 0.00009 -0.00003 0.00005 0.00002 1.96659 A34 2.14331 0.00000 -0.00047 0.00047 0.00000 2.14331 A35 2.22052 -0.00004 0.00055 -0.00050 0.00004 2.22056 A36 2.02521 -0.00009 -0.00133 0.00020 -0.00113 2.02407 A37 2.03746 0.00014 0.00079 0.00030 0.00109 2.03855 A38 2.13718 0.00010 0.00092 0.00002 0.00094 2.13813 A39 2.12628 0.00008 -0.00010 0.00025 0.00015 2.12643 A40 2.01972 -0.00018 -0.00083 -0.00026 -0.00109 2.01863 A41 2.09785 0.00020 0.00204 0.00006 0.00228 2.10013 A42 2.11899 -0.00004 0.00086 -0.00085 0.00018 2.11917 A43 2.06241 -0.00017 -0.00357 0.00014 -0.00325 2.05916 A44 1.89668 0.00002 -0.00012 0.00019 0.00006 1.89674 A45 1.91889 0.00007 0.00001 -0.00002 -0.00001 1.91887 A46 1.93815 -0.00005 -0.00019 0.00000 -0.00019 1.93795 A47 1.91067 -0.00007 -0.00004 -0.00043 -0.00047 1.91020 A48 1.90378 0.00002 -0.00049 0.00032 -0.00017 1.90362 A49 1.89552 0.00000 0.00083 -0.00007 0.00076 1.89628 A50 1.92554 0.00004 0.00138 0.00002 0.00139 1.92693 A51 1.93515 -0.00010 -0.00219 0.00028 -0.00191 1.93324 A52 1.91839 0.00015 0.00069 0.00039 0.00108 1.91947 A53 1.89582 -0.00000 0.00002 -0.00023 -0.00022 1.89561 A54 1.89420 -0.00005 0.00004 0.00014 0.00018 1.89438 A55 1.89389 -0.00004 0.00008 -0.00062 -0.00054 1.89335 D1 0.96970 0.00010 0.00198 -0.00013 0.00186 0.97156 D2 3.05358 0.00009 0.00382 -0.00156 0.00227 3.05584 D3 -1.12509 0.00007 0.00095 -0.00017 0.00079 -1.12430 D4 -3.08921 0.00008 -0.00051 0.00109 0.00057 -3.08864 D5 -1.00533 0.00007 0.00133 -0.00034 0.00098 -1.00435 D6 1.09919 0.00006 -0.00154 0.00105 -0.00050 1.09869 D7 -1.08223 -0.00014 -0.00276 -0.00033 -0.00309 -1.08532 D8 1.00165 -0.00015 -0.00092 -0.00176 -0.00268 0.99897 D9 3.10617 -0.00017 -0.00379 -0.00037 -0.00416 3.10201 D10 0.99274 -0.00028 -0.01217 0.00141 -0.01075 0.98199 D11 -1.23234 0.00006 -0.00793 -0.00011 -0.00803 -1.24038 D12 3.08296 -0.00001 -0.00656 -0.00014 -0.00670 3.07626 D13 -1.20879 -0.00002 -0.00535 -0.00207 -0.00742 -1.21621 D14 1.94454 -0.00005 -0.01573 0.00377 -0.01195 1.93259 D15 1.02668 0.00001 -0.00666 -0.00045 -0.00711 1.01957 D16 -2.10317 -0.00002 -0.01704 0.00539 -0.01164 -2.11482 D17 3.01129 0.00010 -0.00620 0.00037 -0.00583 3.00546 D18 -0.11857 0.00007 -0.01658 0.00621 -0.01036 -0.12893 D19 0.09428 0.00013 -0.00855 0.01051 0.00197 0.09624 D20 -3.05046 0.00008 -0.00954 0.00690 -0.00264 -3.05310 D21 -3.10915 0.00016 -0.00273 0.00525 0.00253 -3.10662 D22 0.03435 -0.00003 0.00016 -0.00205 -0.00189 0.03247 D23 0.00248 0.00013 -0.00042 0.00259 0.00217 0.00465 D24 -3.13945 0.00010 -0.00086 0.00190 0.00103 -3.13842 D25 -3.13539 -0.00009 -0.00077 -0.00092 -0.00169 -3.13709 D26 0.00587 -0.00011 -0.00122 -0.00161 -0.00283 0.00304 D27 3.13863 -0.00005 0.00236 -0.00057 0.00179 3.14042 D28 -0.00472 -0.00009 0.00093 -0.00182 -0.00090 -0.00562 D29 -0.00625 0.00014 0.00267 0.00253 0.00520 -0.00105 D30 3.13359 0.00010 0.00123 0.00127 0.00251 3.13610 D31 -3.13712 -0.00001 0.00060 -0.00089 -0.00029 -3.13741 D32 0.00478 0.00001 0.00102 -0.00025 0.00077 0.00555 D33 3.13370 0.00006 0.00204 -0.00047 0.00157 3.13527 D34 0.00408 0.00003 -0.00118 0.00116 -0.00002 0.00407 D35 -0.00817 0.00004 0.00168 -0.00103 0.00065 -0.00752 D36 -3.13778 0.00001 -0.00154 0.00060 -0.00094 -3.13872 D37 0.00054 -0.00005 -0.00347 0.00149 -0.00197 -0.00143 D38 -3.12060 -0.00012 -0.00712 0.00172 -0.00539 -3.12600 D39 -3.13715 0.00005 -0.00427 0.00280 -0.00144 -3.13859 D40 -0.00549 0.00008 0.00454 -0.00214 0.00240 -0.00309 D41 -0.01581 0.00011 -0.00064 0.00257 0.00194 -0.01386 D42 3.11585 0.00014 0.00817 -0.00237 0.00579 3.12164 D43 3.14032 -0.00004 0.00459 -0.00278 0.00185 -3.14102 D44 -0.01279 -0.00002 0.00769 -0.00435 0.00337 -0.00941 D45 0.00790 -0.00007 -0.00346 0.00178 -0.00168 0.00621 D46 3.13798 -0.00004 -0.00036 0.00021 -0.00016 3.13782 D47 -0.01399 0.00004 0.00226 -0.00111 0.00115 -0.01283 D48 -3.14148 0.00001 -0.00152 0.00081 -0.00072 3.14099 D49 -3.13171 -0.00007 -0.00190 -0.00217 -0.00407 -3.13578 D50 0.01333 -0.00003 -0.00081 0.00179 0.00098 0.01432 D51 3.14074 -0.00003 -0.00079 0.00069 -0.00010 3.14064 D52 0.00091 0.00001 0.00066 0.00195 0.00261 0.00352 D53 -0.00394 -0.00008 -0.00176 -0.00285 -0.00461 -0.00855 D54 3.13942 -0.00003 -0.00031 -0.00159 -0.00190 3.13752 D55 -0.00795 -0.00017 0.00011 -0.00701 -0.00695 -0.01490 D56 -3.05253 0.00000 0.00146 0.00093 0.00244 -3.05009 D57 3.13184 0.00001 -0.00262 -0.00013 -0.00279 3.12906 D58 0.08727 0.00019 -0.00126 0.00781 0.00660 0.09386 D59 2.86138 -0.00001 -0.02033 -0.00174 -0.02208 2.83930 D60 0.77049 0.00002 -0.02021 -0.00131 -0.02154 0.74895 D61 -1.32772 0.00000 -0.02113 -0.00122 -0.02236 -1.35008 D62 -0.37413 -0.00017 -0.02151 -0.00948 -0.03097 -0.40510 D63 -2.46502 -0.00014 -0.02139 -0.00905 -0.03043 -2.49545 D64 1.71996 -0.00016 -0.02231 -0.00896 -0.03126 1.68870 D65 -2.19709 -0.00008 0.02924 -0.00522 0.02404 -2.17305 D66 1.98507 -0.00003 0.02974 -0.00512 0.02463 2.00970 D67 -0.10886 -0.00002 0.03059 -0.00478 0.02582 -0.08304 D68 1.03961 0.00007 0.03036 0.00257 0.03292 1.07253 D69 -1.06141 0.00012 0.03086 0.00267 0.03351 -1.02790 D70 3.12784 0.00013 0.03171 0.00300 0.03470 -3.12064 Item Value Threshold Converged? Maximum Force 0.000741 0.000450 NO RMS Force 0.000159 0.000300 YES Maximum Displacement 0.062651 0.001800 NO RMS Displacement 0.013115 0.001200 NO Predicted change in Energy=-2.301885D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.198836 -4.826892 2.226544 2 6 0 7.197006 -4.999707 3.739429 3 8 0 7.410391 -6.011243 1.542736 4 7 0 7.671352 0.073804 0.314499 5 8 0 3.269895 -0.886479 0.026032 6 6 0 4.326627 -1.328312 0.364858 7 6 0 4.665451 -2.607811 0.929701 8 7 0 3.872202 -3.689581 1.236779 9 6 0 4.681971 -4.543544 1.711514 10 7 0 5.993490 -4.132555 1.756330 11 6 0 5.969413 -2.870301 1.238575 12 7 0 7.045817 -2.065638 1.089644 13 6 0 6.756741 -0.912972 0.571741 14 7 0 5.492433 -0.555406 0.233536 15 1 0 8.004535 -4.174590 1.939886 16 1 0 8.126975 -5.466776 4.042180 17 1 0 7.114423 -4.034813 4.226177 18 6 0 8.907980 -0.211855 0.509374 19 35 0 4.150015 -6.246651 2.284245 20 1 0 5.371327 0.355384 -0.155512 21 1 0 6.373882 -5.620021 4.070451 22 1 0 6.764743 -6.659777 1.791985 23 7 0 9.879276 0.671776 0.332556 24 1 0 9.221191 -1.191380 0.831222 25 6 0 9.572326 2.020158 -0.115728 26 6 0 11.273431 0.295352 0.450137 27 1 0 10.421744 2.656154 0.092742 28 1 0 8.706476 2.394028 0.408288 29 1 0 9.368259 2.039351 -1.180535 30 1 0 11.774120 0.922650 1.178709 31 1 0 11.781400 0.398518 -0.502870 32 1 0 11.352273 -0.733873 0.770776 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522725 0.000000 3 O 1.383848 2.427797 0.000000 4 N 5.281667 6.139679 6.213249 0.000000 5 O 5.983785 6.791919 6.760717 4.514220 0.000000 6 C 4.894437 5.753776 5.729470 3.627072 1.194447 7 C 3.608900 4.474876 4.415185 4.074921 2.393152 8 N 3.652343 4.362799 4.242937 5.426528 3.112243 9 C 2.584599 3.262810 3.102725 5.675206 4.267193 10 N 1.468354 2.476507 2.362774 4.752637 4.576998 11 C 2.513128 3.506512 3.469071 3.523956 3.562752 12 N 2.990063 3.956384 3.988233 2.359949 4.096251 13 C 4.272305 5.189363 5.230914 1.369823 3.529390 14 N 5.012931 5.911739 5.929479 2.269394 2.256622 15 H 1.075556 2.138054 1.970794 4.560893 6.073823 16 H 2.137155 1.083815 2.656531 6.693372 7.791007 17 H 2.152452 1.083865 3.345853 5.700187 6.506429 18 C 5.212332 6.023638 6.078117 1.284066 5.698836 19 Br 3.363682 3.599526 3.351911 7.498525 5.882651 20 H 5.989154 6.868819 6.897519 2.364385 2.447692 21 H 2.170161 1.082543 2.759846 6.943360 6.956902 22 H 1.933066 2.595231 0.948463 6.953130 6.975924 23 N 6.403694 7.139123 7.226526 2.287537 6.797502 24 H 4.387914 5.201763 5.197723 2.066324 6.013254 25 C 7.615890 8.353615 8.481030 2.754467 6.941849 26 C 6.781985 7.448109 7.475960 3.611434 8.101431 27 H 8.422365 9.072457 9.289484 3.779201 7.981456 28 H 7.597415 8.248776 8.579941 2.542384 6.361152 29 H 7.966170 8.858257 8.721325 2.996330 6.870686 30 H 7.422156 7.910851 8.200824 4.277862 8.770602 31 H 7.466894 8.255580 8.023420 4.203097 8.624191 32 H 6.010250 6.654058 6.632118 3.796013 8.118052 6 7 8 9 10 6 C 0.000000 7 C 1.439085 0.000000 8 N 2.557799 1.376142 0.000000 9 C 3.503921 2.087718 1.268997 0.000000 10 N 3.546604 2.184456 2.228458 1.375137 0.000000 11 C 2.416579 1.365511 2.251559 2.163544 1.364527 12 N 2.909116 2.446564 3.568007 3.480590 2.413298 13 C 2.474017 2.715531 4.058620 4.334144 3.514473 14 N 1.404896 2.319679 3.668064 4.329724 3.919942 15 H 4.910092 3.824232 4.219689 3.350778 2.019842 16 H 6.715074 5.462908 5.397388 4.260565 3.399561 17 H 5.477840 4.347477 4.423538 3.535416 2.714073 18 C 4.717642 4.890433 6.163015 6.169913 5.041928 19 Br 5.282546 3.916838 2.777225 1.873919 2.854207 20 H 2.048662 3.233647 4.532945 5.287769 4.917705 21 H 6.028385 4.675089 4.244373 3.096118 2.777123 22 H 6.033706 4.644242 4.182955 2.970329 2.642528 23 N 5.901975 6.188397 7.478235 7.490866 6.340983 24 H 4.918638 4.771870 5.917531 5.711080 4.463674 25 C 6.241840 6.825573 8.180575 8.386690 7.359928 26 C 7.134538 7.233515 8.442552 8.273653 7.013578 27 H 7.287007 7.845046 9.190956 9.348854 8.274269 28 H 5.748111 6.451368 7.814531 8.125574 7.195401 29 H 6.256792 6.940145 8.298838 8.582526 7.622773 30 H 7.822680 7.940991 9.149664 8.970047 7.700937 31 H 7.701203 7.856654 9.071623 8.929131 7.689897 32 H 7.062424 6.946258 8.056354 7.738961 6.421754 11 12 13 14 15 11 C 0.000000 12 N 1.352150 0.000000 13 C 2.212620 1.296313 0.000000 14 N 2.568336 2.329532 1.356727 0.000000 15 H 2.516889 2.467737 3.750595 4.724486 0.000000 16 H 4.388275 4.631858 5.887158 6.750417 2.470704 17 H 3.404835 3.704078 4.819620 5.538800 2.457431 18 C 4.029174 2.690888 2.263467 3.443845 4.308810 19 Br 3.975346 5.224329 6.178659 6.196593 4.389687 20 H 3.564580 3.196198 2.014198 0.997780 5.643150 21 H 3.967881 4.687253 5.877403 6.414763 3.047558 22 H 3.911386 4.656006 5.874932 6.427353 2.781207 23 N 5.352963 4.011872 3.509824 4.556334 5.439249 24 H 3.682224 2.358678 2.493664 3.829533 3.407188 25 C 6.223480 4.952767 4.123516 4.837462 6.712557 26 C 6.227006 4.884257 4.677107 5.847276 5.734580 27 H 7.188734 5.889484 5.138127 5.884900 7.477560 28 H 5.991164 4.807354 3.842451 4.365750 6.781243 29 H 6.442742 5.234347 4.313549 4.873847 7.085889 30 H 6.934312 5.594162 5.376989 6.522085 6.385218 31 H 6.891807 5.570809 5.303018 6.403387 6.414443 32 H 5.810194 4.518943 4.603326 5.887122 4.940921 16 17 18 19 20 16 H 0.000000 17 H 1.763416 0.000000 18 C 6.380038 5.625521 0.000000 19 Br 4.417551 4.177445 7.887152 0.000000 20 H 7.688418 6.442935 3.643041 7.143591 0.000000 21 H 1.760006 1.756570 6.953502 2.920408 7.387107 22 H 2.888305 3.596944 6.914785 2.692544 7.412613 23 N 7.383339 6.704975 1.324948 9.192289 4.545319 24 H 5.457708 4.904009 1.077570 7.306427 4.264690 25 C 8.685126 7.845769 2.411221 10.173567 4.519009 26 C 7.483654 7.092683 2.419944 9.844024 5.933401 27 H 9.319122 8.531864 3.269639 11.108430 5.555348 28 H 8.679472 7.644665 2.615616 9.946954 3.949323 29 H 9.228190 8.438470 2.852293 10.387137 4.456667 30 H 7.894675 7.454950 3.154342 10.523691 6.564883 31 H 8.271274 7.987427 3.107046 10.495920 6.419623 32 H 6.595832 6.387126 2.513047 9.195317 6.149489 21 22 23 24 25 21 H 0.000000 22 H 2.534812 0.000000 23 N 8.114578 8.098267 0.000000 24 H 6.181637 6.071290 2.037915 0.000000 25 C 9.280435 9.320041 1.453723 3.366599 0.000000 26 C 8.491401 8.396585 1.448858 2.562672 2.487754 27 H 10.035061 10.151239 2.071120 4.097585 1.081417 28 H 9.114682 9.362496 2.085029 3.646774 1.078920 29 H 9.757312 9.554527 2.102580 3.808729 1.084355 30 H 8.962773 9.108411 2.090298 3.332764 2.779926 31 H 9.294049 8.958389 2.095395 3.295792 2.767599 32 H 7.716650 7.563375 2.082692 2.180477 3.396879 26 27 28 29 30 26 C 0.000000 27 H 2.535052 0.000000 28 H 3.315939 1.763640 0.000000 29 H 3.054556 1.763948 1.757302 0.000000 30 H 1.083978 2.452200 3.488401 3.549820 0.000000 31 H 1.084850 2.701914 3.777225 2.995799 1.761384 32 H 1.080892 3.580209 4.112834 3.928702 1.757393 31 32 31 H 0.000000 32 H 1.757451 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.267929 -1.943569 0.002453 2 6 0 -1.775899 -2.508641 1.322056 3 8 0 -1.923015 -2.461900 -1.100828 4 7 0 3.352450 0.615049 0.042112 5 8 0 0.209149 3.855016 0.020666 6 6 0 0.364232 2.670682 0.018067 7 6 0 -0.600684 1.603111 0.004151 8 7 0 -1.976214 1.639396 -0.014986 9 6 0 -2.319030 0.417581 -0.015166 10 7 0 -1.273256 -0.475225 0.000823 11 6 0 -0.158223 0.311277 0.007975 12 7 0 1.116420 -0.139490 0.027997 13 6 0 1.996902 0.811918 0.030023 14 7 0 1.659162 2.125935 0.029878 15 1 0 -0.231338 -2.201086 -0.123979 16 1 0 -1.702636 -3.589621 1.294341 17 1 0 -1.175001 -2.137360 2.144149 18 6 0 3.766880 -0.596177 -0.057908 19 35 0 -4.107128 -0.141039 -0.062291 20 1 0 2.409722 2.783351 0.035173 21 1 0 -2.807650 -2.235822 1.503602 22 1 0 -2.858324 -2.321699 -1.029247 23 7 0 5.052475 -0.914330 -0.019050 24 1 0 3.085189 -1.422149 -0.177178 25 6 0 6.061329 0.122626 0.123236 26 6 0 5.501495 -2.273053 -0.245860 27 1 0 6.988310 -0.336955 0.437807 28 1 0 5.747726 0.842061 0.863596 29 1 0 6.223160 0.639749 -0.816030 30 1 0 6.100206 -2.617645 0.589490 31 1 0 6.099254 -2.334903 -1.149053 32 1 0 4.650109 -2.930350 -0.352776 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5670071 0.1450501 0.1184639 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.6535148192 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.39D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 0.000125 -0.000118 -0.000027 Ang= 0.02 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58107617 A.U. after 11 cycles NFock= 11 Conv=0.56D-08 -V/T= 2.0038 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 -0.000035989 0.000026562 -0.000103772 2 6 -0.000149185 -0.000012518 -0.000052637 3 8 0.000029214 -0.000131645 -0.000066643 4 7 0.000288469 -0.000113965 -0.000103948 5 8 -0.000002717 -0.000019468 0.000021089 6 6 -0.000213481 -0.000236741 -0.000038637 7 6 -0.000006335 0.000186381 -0.000098742 8 7 -0.000036370 -0.000091698 0.000118888 9 6 -0.000162080 0.000056214 -0.000125597 10 7 0.000085815 0.000334263 0.000207441 11 6 -0.000001132 -0.000390863 -0.000014617 12 7 0.000098779 0.000004392 -0.000072191 13 6 -0.000315788 0.000191567 0.000493663 14 7 0.000104271 0.000061232 -0.000178001 15 1 0.000071837 -0.000016443 0.000082957 16 1 -0.000003035 -0.000019683 -0.000043205 17 1 0.000027547 0.000025384 -0.000049160 18 6 -0.000096452 0.000039396 -0.000073302 19 35 0.000053137 0.000098310 0.000017124 20 1 0.000002318 -0.000023745 -0.000007110 21 1 0.000005852 -0.000052095 0.000025361 22 1 0.000114009 0.000033464 0.000042241 23 7 0.000021473 0.000265730 0.000334808 24 1 0.000047566 0.000019141 -0.000053974 25 6 0.000030680 -0.000105196 -0.000003909 26 6 0.000015024 -0.000115229 -0.000128759 27 1 -0.000038586 0.000038472 0.000096517 28 1 -0.000037404 -0.000031634 -0.000061108 29 1 0.000072783 0.000008777 -0.000061307 30 1 -0.000012501 0.000035699 -0.000072407 31 1 0.000007144 -0.000051210 -0.000041427 32 1 0.000035140 -0.000012850 0.000010364 ------------------------------------------------------------------- Cartesian Forces: Max 0.000493663 RMS 0.000124161 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000239384 RMS 0.000072465 Search for a local minimum. Step number 26 out of a maximum of 168 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 23 24 25 26 DE= -2.54D-05 DEPred=-2.30D-05 R= 1.10D+00 TightC=F SS= 1.41D+00 RLast= 1.04D-01 DXNew= 1.3363D+00 3.1165D-01 Trust test= 1.10D+00 RLast= 1.04D-01 DXMaxT set to 7.95D-01 ITU= 1 1 1 1 1 1 1 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 ITU= 1 1 1 1 1 0 Eigenvalues --- 0.00139 0.00305 0.00607 0.01046 0.01130 Eigenvalues --- 0.01333 0.01666 0.01693 0.01772 0.01884 Eigenvalues --- 0.01950 0.02125 0.02257 0.02357 0.02560 Eigenvalues --- 0.02633 0.02994 0.03364 0.04314 0.05511 Eigenvalues --- 0.05606 0.05769 0.06010 0.06634 0.07097 Eigenvalues --- 0.07624 0.07640 0.07789 0.07842 0.09033 Eigenvalues --- 0.15349 0.15666 0.15982 0.15996 0.16001 Eigenvalues --- 0.16017 0.16034 0.16042 0.16125 0.16275 Eigenvalues --- 0.16517 0.17067 0.18905 0.19686 0.21431 Eigenvalues --- 0.22324 0.23548 0.23625 0.24322 0.24788 Eigenvalues --- 0.24869 0.25059 0.25138 0.25666 0.27508 Eigenvalues --- 0.29558 0.29848 0.32369 0.32426 0.33685 Eigenvalues --- 0.33727 0.33744 0.33748 0.33762 0.33789 Eigenvalues --- 0.33868 0.33952 0.34400 0.34688 0.37105 Eigenvalues --- 0.38332 0.39266 0.40737 0.41208 0.42005 Eigenvalues --- 0.43671 0.44485 0.46899 0.48638 0.48803 Eigenvalues --- 0.49316 0.50760 0.51911 0.54176 0.56372 Eigenvalues --- 0.61441 0.69557 0.72090 0.79214 0.87648 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 26 25 24 23 22 21 20 RFO step: Lambda=-1.65686562D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.14997 0.40926 -0.85994 0.31444 0.00564 RFO-DIIS coefs: 0.04665 -0.06603 Iteration 1 RMS(Cart)= 0.00845838 RMS(Int)= 0.00002869 Iteration 2 RMS(Cart)= 0.00004504 RMS(Int)= 0.00000912 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000912 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87753 -0.00011 -0.00040 0.00042 0.00002 2.87755 R2 2.61509 0.00012 -0.00084 0.00028 -0.00056 2.61454 R3 2.77479 0.00007 0.00103 -0.00066 0.00037 2.77516 R4 2.03251 0.00002 0.00019 -0.00010 0.00009 2.03259 R5 2.04811 -0.00001 -0.00000 0.00007 0.00007 2.04818 R6 2.04821 -0.00000 -0.00007 0.00006 -0.00001 2.04820 R7 2.04571 0.00003 0.00014 -0.00014 0.00000 2.04572 R8 1.79234 -0.00009 -0.00037 0.00022 -0.00015 1.79219 R9 2.58859 0.00024 -0.00058 0.00110 0.00052 2.58911 R10 2.42653 0.00001 -0.00049 0.00033 -0.00016 2.42638 R11 2.25718 -0.00001 0.00002 -0.00008 -0.00006 2.25712 R12 2.71948 -0.00010 -0.00075 0.00008 -0.00067 2.71881 R13 2.65487 0.00024 0.00099 -0.00015 0.00084 2.65571 R14 2.60053 0.00003 0.00077 -0.00033 0.00044 2.60097 R15 2.58044 0.00010 -0.00003 0.00006 0.00003 2.58047 R16 2.39806 -0.00011 -0.00049 -0.00002 -0.00051 2.39755 R17 2.59863 0.00007 0.00001 0.00035 0.00036 2.59899 R18 3.54119 -0.00010 0.00047 -0.00065 -0.00018 3.54102 R19 2.57858 -0.00022 -0.00049 -0.00025 -0.00074 2.57785 R20 2.55519 0.00006 -0.00002 0.00004 0.00002 2.55521 R21 2.44968 0.00002 -0.00015 0.00015 -0.00000 2.44968 R22 2.56384 0.00011 -0.00078 0.00060 -0.00018 2.56366 R23 1.88553 -0.00002 0.00000 -0.00004 -0.00004 1.88549 R24 2.50379 0.00008 0.00005 0.00008 0.00013 2.50392 R25 2.03631 -0.00002 0.00017 -0.00020 -0.00003 2.03628 R26 2.74714 -0.00008 0.00002 -0.00037 -0.00035 2.74679 R27 2.73794 0.00006 -0.00002 0.00004 0.00003 2.73797 R28 2.04358 0.00001 0.00001 0.00004 0.00005 2.04363 R29 2.03886 -0.00001 -0.00004 -0.00003 -0.00007 2.03880 R30 2.04913 0.00005 0.00005 0.00011 0.00016 2.04929 R31 2.04842 -0.00003 -0.00009 0.00007 -0.00002 2.04840 R32 2.05007 0.00003 0.00002 0.00004 0.00006 2.05013 R33 2.04259 0.00002 0.00020 -0.00013 0.00007 2.04266 A1 1.97577 -0.00006 0.00080 -0.00002 0.00078 1.97655 A2 1.95071 -0.00014 -0.00260 0.00188 -0.00073 1.94998 A3 1.91190 0.00003 0.00037 -0.00044 -0.00009 1.91181 A4 1.95191 0.00018 -0.00007 0.00018 0.00011 1.95202 A5 1.84713 -0.00004 0.00188 -0.00142 0.00046 1.84759 A6 1.81604 0.00004 -0.00014 -0.00044 -0.00058 1.81546 A7 1.90224 -0.00006 0.00039 -0.00023 0.00016 1.90240 A8 1.92329 -0.00007 -0.00042 0.00001 -0.00041 1.92288 A9 1.94954 0.00006 0.00001 0.00027 0.00028 1.94982 A10 1.90030 0.00005 -0.00021 0.00004 -0.00017 1.90014 A11 1.89660 -0.00001 0.00014 -0.00016 -0.00002 1.89658 A12 1.89111 0.00004 0.00009 0.00007 0.00016 1.89126 A13 1.92973 -0.00000 0.00152 -0.00130 0.00022 1.92995 A14 2.04234 0.00018 -0.00158 0.00244 0.00086 2.04320 A15 2.27644 -0.00001 0.00059 -0.00023 0.00037 2.27681 A16 2.09916 0.00004 -0.00047 0.00032 -0.00015 2.09901 A17 1.90758 -0.00003 -0.00012 -0.00009 -0.00021 1.90737 A18 2.27941 -0.00004 0.00004 -0.00028 -0.00023 2.27918 A19 2.07662 0.00007 0.00044 -0.00015 0.00029 2.07691 A20 1.92716 -0.00003 -0.00049 0.00043 -0.00006 1.92710 A21 1.81795 -0.00007 0.00013 -0.00039 -0.00025 1.81769 A22 2.00387 0.00009 -0.00000 0.00024 0.00022 2.00410 A23 2.14694 0.00001 0.00024 -0.00017 0.00006 2.14700 A24 2.13224 -0.00010 -0.00017 -0.00007 -0.00026 2.13198 A25 2.28104 -0.00003 -0.00123 0.00065 -0.00057 2.28047 A26 2.18147 0.00007 0.00110 -0.00050 0.00061 2.18208 A27 1.82066 -0.00004 0.00010 -0.00017 -0.00006 1.82060 A28 1.85511 0.00005 0.00029 -0.00014 0.00014 1.85525 A29 2.24066 -0.00003 -0.00028 0.00024 -0.00004 2.24062 A30 2.18737 -0.00002 0.00002 -0.00013 -0.00011 2.18726 A31 1.97756 0.00003 -0.00013 0.00015 0.00002 1.97757 A32 2.17326 -0.00016 -0.00090 0.00058 -0.00032 2.17294 A33 1.96659 0.00018 0.00036 0.00003 0.00040 1.96699 A34 2.14331 -0.00001 0.00054 -0.00060 -0.00006 2.14325 A35 2.22056 -0.00003 -0.00043 0.00046 0.00002 2.22058 A36 2.02407 0.00001 -0.00046 0.00012 -0.00033 2.02374 A37 2.03855 0.00002 0.00089 -0.00058 0.00031 2.03885 A38 2.13813 0.00010 0.00080 -0.00051 0.00028 2.13841 A39 2.12643 0.00000 0.00005 0.00020 0.00024 2.12667 A40 2.01863 -0.00010 -0.00084 0.00032 -0.00052 2.01811 A41 2.10013 0.00003 0.00084 -0.00059 0.00021 2.10033 A42 2.11917 -0.00005 -0.00080 0.00047 -0.00036 2.11881 A43 2.05916 0.00002 -0.00075 -0.00004 -0.00082 2.05834 A44 1.89674 0.00002 0.00026 -0.00026 0.00000 1.89674 A45 1.91887 -0.00000 0.00017 -0.00027 -0.00010 1.91878 A46 1.93795 -0.00001 -0.00019 0.00024 0.00005 1.93800 A47 1.91020 -0.00002 -0.00044 0.00016 -0.00028 1.90992 A48 1.90362 0.00001 0.00008 0.00002 0.00010 1.90372 A49 1.89628 0.00000 0.00011 0.00011 0.00022 1.89651 A50 1.92693 -0.00003 0.00014 -0.00013 0.00001 1.92694 A51 1.93324 -0.00001 -0.00004 -0.00025 -0.00029 1.93295 A52 1.91947 0.00006 0.00054 -0.00003 0.00051 1.91998 A53 1.89561 -0.00000 -0.00020 0.00008 -0.00012 1.89549 A54 1.89438 0.00001 -0.00010 0.00022 0.00011 1.89449 A55 1.89335 -0.00004 -0.00036 0.00014 -0.00022 1.89313 D1 0.97156 -0.00005 0.00138 -0.00129 0.00009 0.97165 D2 3.05584 -0.00007 0.00112 -0.00139 -0.00026 3.05558 D3 -1.12430 -0.00003 0.00095 -0.00111 -0.00016 -1.12446 D4 -3.08864 0.00003 -0.00025 0.00052 0.00027 -3.08837 D5 -1.00435 0.00001 -0.00051 0.00042 -0.00009 -1.00444 D6 1.09869 0.00004 -0.00068 0.00070 0.00002 1.09871 D7 -1.08532 0.00002 -0.00170 0.00079 -0.00091 -1.08623 D8 0.99897 -0.00000 -0.00196 0.00070 -0.00126 0.99770 D9 3.10201 0.00004 -0.00213 0.00098 -0.00116 3.10085 D10 0.98199 -0.00007 -0.00502 0.00126 -0.00377 0.97822 D11 -1.24038 0.00002 -0.00206 -0.00144 -0.00350 -1.24388 D12 3.07626 -0.00010 -0.00291 -0.00023 -0.00313 3.07313 D13 -1.21621 0.00006 -0.00149 0.00092 -0.00057 -1.21678 D14 1.93259 0.00009 -0.00206 0.00460 0.00254 1.93513 D15 1.01957 0.00001 -0.00261 0.00258 -0.00003 1.01954 D16 -2.11482 0.00004 -0.00318 0.00626 0.00308 -2.11174 D17 3.00546 0.00007 -0.00052 0.00077 0.00024 3.00569 D18 -0.12893 0.00010 -0.00109 0.00445 0.00335 -0.12558 D19 0.09624 0.00001 0.00435 0.00285 0.00719 0.10343 D20 -3.05310 0.00022 0.00521 0.00481 0.01003 -3.04307 D21 -3.10662 0.00001 -0.00031 0.00100 0.00070 -3.10592 D22 0.03247 0.00007 0.00095 0.00184 0.00279 0.03525 D23 0.00465 -0.00001 -0.00103 0.00122 0.00019 0.00484 D24 -3.13842 -0.00002 -0.00121 0.00024 -0.00097 -3.13938 D25 -3.13709 -0.00002 -0.00046 0.00011 -0.00035 -3.13744 D26 0.00304 -0.00003 -0.00063 -0.00087 -0.00150 0.00153 D27 3.14042 -0.00003 0.00153 -0.00087 0.00066 3.14108 D28 -0.00562 -0.00003 0.00044 -0.00095 -0.00051 -0.00613 D29 -0.00105 -0.00002 0.00102 0.00012 0.00114 0.00009 D30 3.13610 -0.00002 -0.00007 0.00003 -0.00003 3.13607 D31 -3.13741 -0.00004 -0.00053 -0.00022 -0.00076 -3.13817 D32 0.00555 -0.00003 -0.00037 0.00069 0.00032 0.00587 D33 3.13527 0.00004 0.00187 -0.00160 0.00027 3.13554 D34 0.00407 0.00003 -0.00027 0.00106 0.00080 0.00486 D35 -0.00752 0.00003 0.00172 -0.00239 -0.00067 -0.00818 D36 -3.13872 0.00002 -0.00041 0.00027 -0.00014 -3.13886 D37 -0.00143 0.00003 -0.00119 0.00135 0.00015 -0.00128 D38 -3.12600 -0.00002 -0.00319 0.00168 -0.00151 -3.12751 D39 -3.13859 0.00002 0.00176 0.00030 0.00207 -3.13652 D40 -0.00309 -0.00001 0.00226 -0.00282 -0.00056 -0.00365 D41 -0.01386 0.00007 0.00375 -0.00003 0.00372 -0.01015 D42 3.12164 0.00004 0.00424 -0.00315 0.00109 3.12273 D43 -3.14102 -0.00004 -0.00182 0.00009 -0.00173 3.14043 D44 -0.00941 -0.00003 0.00023 -0.00246 -0.00224 -0.01165 D45 0.00621 -0.00001 -0.00226 0.00296 0.00070 0.00692 D46 3.13782 -0.00001 -0.00021 0.00041 0.00020 3.13802 D47 -0.01283 0.00003 0.00087 -0.00027 0.00060 -0.01223 D48 3.14099 0.00002 -0.00164 0.00286 0.00122 -3.14098 D49 -3.13578 0.00015 0.00045 0.00157 0.00202 -3.13375 D50 0.01432 -0.00008 -0.00050 -0.00059 -0.00109 0.01323 D51 3.14064 -0.00013 -0.00132 -0.00125 -0.00257 3.13806 D52 0.00352 -0.00012 -0.00023 -0.00117 -0.00140 0.00212 D53 -0.00855 0.00008 -0.00048 0.00068 0.00020 -0.00835 D54 3.13752 0.00009 0.00062 0.00076 0.00138 3.13890 D55 -0.01490 0.00001 -0.00287 0.00060 -0.00231 -0.01721 D56 -3.05009 0.00009 0.00572 0.00248 0.00824 -3.04185 D57 3.12906 -0.00005 -0.00406 -0.00019 -0.00428 3.12478 D58 0.09386 0.00003 0.00454 0.00170 0.00627 0.10014 D59 2.83930 -0.00005 -0.00078 -0.00482 -0.00560 2.83370 D60 0.74895 -0.00004 -0.00050 -0.00469 -0.00520 0.74375 D61 -1.35008 -0.00004 -0.00063 -0.00481 -0.00545 -1.35553 D62 -0.40510 -0.00014 -0.00917 -0.00660 -0.01577 -0.42087 D63 -2.49545 -0.00012 -0.00890 -0.00648 -0.01537 -2.51082 D64 1.68870 -0.00012 -0.00902 -0.00660 -0.01561 1.67309 D65 -2.17305 -0.00010 0.00102 -0.00473 -0.00369 -2.17674 D66 2.00970 -0.00008 0.00120 -0.00457 -0.00335 2.00635 D67 -0.08304 -0.00007 0.00132 -0.00456 -0.00322 -0.08626 D68 1.07253 -0.00002 0.00943 -0.00285 0.00656 1.07908 D69 -1.02790 0.00000 0.00961 -0.00270 0.00689 -1.02101 D70 -3.12064 0.00001 0.00973 -0.00269 0.00702 -3.11362 Item Value Threshold Converged? Maximum Force 0.000239 0.000450 YES RMS Force 0.000072 0.000300 YES Maximum Displacement 0.043869 0.001800 NO RMS Displacement 0.008459 0.001200 NO Predicted change in Energy=-7.346210D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.198566 -4.825701 2.231727 2 6 0 7.190592 -5.000652 3.744355 3 8 0 7.414309 -6.008052 1.546363 4 7 0 7.671639 0.076108 0.321862 5 8 0 3.272182 -0.891301 0.015681 6 6 0 4.328031 -1.331274 0.359531 7 6 0 4.666751 -2.609541 0.926320 8 7 0 3.873894 -3.692823 1.230107 9 6 0 4.683178 -4.545093 1.707980 10 7 0 5.993962 -4.131778 1.758399 11 6 0 5.969914 -2.870125 1.240205 12 7 0 7.045656 -2.063792 1.095513 13 6 0 6.756719 -0.911233 0.577295 14 7 0 5.493325 -0.555859 0.233798 15 1 0 8.004114 -4.171191 1.949542 16 1 0 8.119862 -5.466955 4.050540 17 1 0 7.105056 -4.036328 4.231710 18 6 0 8.908831 -0.210711 0.510817 19 35 0 4.151863 -6.248302 2.280702 20 1 0 5.372057 0.354495 -0.156172 21 1 0 6.366828 -5.622260 4.071345 22 1 0 6.770591 -6.659051 1.793880 23 7 0 9.879891 0.673615 0.335670 24 1 0 9.223469 -1.192493 0.824239 25 6 0 9.572504 2.023663 -0.106661 26 6 0 11.274341 0.293398 0.436538 27 1 0 10.420286 2.659839 0.107971 28 1 0 8.704586 2.393608 0.416646 29 1 0 9.371851 2.048065 -1.172097 30 1 0 11.783455 0.913712 1.165235 31 1 0 11.773017 0.403707 -0.520605 32 1 0 11.354678 -0.738696 0.747562 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522733 0.000000 3 O 1.383553 2.428183 0.000000 4 N 5.281961 6.141527 6.211491 0.000000 5 O 5.983883 6.792916 6.758797 4.514959 0.000000 6 C 4.894498 5.754617 5.727646 3.627927 1.194415 7 C 3.609092 4.475322 4.414001 4.075222 2.392997 8 N 3.652410 4.362607 4.242032 5.427026 3.112139 9 C 2.584614 3.262128 3.102490 5.675185 4.266730 10 N 1.468550 2.476062 2.362784 4.752320 4.576663 11 C 2.513360 3.507131 3.467937 3.524133 3.562718 12 N 2.990402 3.957590 3.987023 2.359992 4.096325 13 C 4.272638 5.190555 5.229635 1.370098 3.529562 14 N 5.013096 5.912776 5.927851 2.269844 2.256894 15 H 1.075602 2.138032 1.970908 4.560639 6.073605 16 H 2.137305 1.083850 2.657346 6.695483 7.792092 17 H 2.152159 1.083859 3.345806 5.702636 6.508227 18 C 5.213892 6.029232 6.075780 1.283983 5.699138 19 Br 3.362825 3.596218 3.352690 7.498269 5.882314 20 H 5.989377 6.870137 6.895754 2.365184 2.447655 21 H 2.170366 1.082546 2.760721 6.944966 6.957530 22 H 1.932885 2.594425 0.948386 6.952776 6.976231 23 N 6.405233 7.144842 7.224233 2.287702 6.798027 24 H 4.391065 5.211693 5.194625 2.066375 6.013510 25 C 7.616917 8.357322 8.479312 2.754975 6.943057 26 C 6.785265 7.459600 7.472605 3.611070 8.100320 27 H 8.421586 9.073991 9.286398 3.778421 7.982136 28 H 7.594803 8.248691 8.574903 2.539048 6.361007 29 H 7.972317 8.866442 8.724850 3.001874 6.874347 30 H 7.422902 7.919972 8.194236 4.280173 8.776179 31 H 7.473128 8.270164 8.023799 4.199806 8.615617 32 H 6.014950 6.669681 6.628024 3.796037 8.116999 6 7 8 9 10 6 C 0.000000 7 C 1.438731 0.000000 8 N 2.557549 1.376375 0.000000 9 C 3.503295 2.087493 1.268727 0.000000 10 N 3.546122 2.184274 2.228556 1.375328 0.000000 11 C 2.416491 1.365526 2.251717 2.163336 1.364138 12 N 2.909250 2.446561 3.568183 3.480414 2.412892 13 C 2.474344 2.715518 4.058828 4.333932 3.514074 14 N 1.405342 2.319574 3.668205 4.329382 3.919471 15 H 4.909872 3.824098 4.219614 3.350638 2.019604 16 H 6.716054 5.463473 5.397280 4.260072 3.399420 17 H 5.479321 4.348179 4.423576 3.534622 2.713099 18 C 4.718291 4.891040 6.163851 6.170592 5.042588 19 Br 5.281959 3.916637 2.776957 1.873826 2.854085 20 H 2.048843 3.233381 4.532885 5.287304 4.917215 21 H 6.028832 4.675246 4.243829 3.095232 2.776740 22 H 6.033959 4.645141 4.184161 2.972119 2.644148 23 N 5.902820 6.189088 7.479157 7.491594 6.341641 24 H 4.919402 4.773062 5.918980 5.712720 4.465621 25 C 6.243190 6.826422 8.181644 8.387311 7.360290 26 C 7.134193 7.233754 8.443123 8.274721 7.015120 27 H 7.287512 7.844693 9.190796 9.348020 8.272987 28 H 5.747368 6.449447 7.812934 8.123105 7.192249 29 H 6.261464 6.945114 8.303969 8.587679 7.628132 30 H 7.827673 7.944675 9.153443 8.972573 7.702405 31 H 7.694973 7.853170 9.068776 8.928776 7.691682 32 H 7.062257 6.946969 8.057409 7.740799 6.424335 11 12 13 14 15 11 C 0.000000 12 N 1.352158 0.000000 13 C 2.212639 1.296313 0.000000 14 N 2.568234 2.329410 1.356631 0.000000 15 H 2.516724 2.467618 3.750518 4.724243 0.000000 16 H 4.389053 4.633316 5.888649 6.751673 2.471152 17 H 3.405537 3.705423 4.821028 5.540276 2.456580 18 C 4.030102 2.692062 2.264229 3.444060 4.309738 19 Br 3.974924 5.223872 6.178283 6.196228 4.389066 20 H 3.564475 3.196211 2.014282 0.997761 5.643013 21 H 3.968267 4.688185 5.878281 6.415466 3.047680 22 H 3.911981 4.656155 5.875175 6.427614 2.781233 23 N 5.353896 4.012934 3.510602 4.556747 5.440153 24 H 3.684169 2.361275 2.494983 3.829870 3.409659 25 C 6.224296 4.953531 4.124324 4.838341 6.712975 26 C 6.228219 4.885936 4.677591 5.846580 5.737257 27 H 7.188064 5.888637 5.137561 5.884852 7.476111 28 H 5.988620 4.804302 3.839527 4.364056 6.777685 29 H 6.448331 5.240286 4.319343 4.878517 7.091860 30 H 6.936880 5.596170 5.379978 6.526328 6.383948 31 H 6.891621 5.572103 5.300726 6.397221 6.421522 32 H 5.812174 4.521572 4.604344 5.886667 4.945003 16 17 18 19 20 16 H 0.000000 17 H 1.763334 0.000000 18 C 6.385938 5.633293 0.000000 19 Br 4.414504 4.173800 7.887569 0.000000 20 H 7.690003 6.444853 3.643227 7.143120 0.000000 21 H 1.760023 1.756667 6.958735 2.916231 7.388036 22 H 2.886890 3.596325 6.913711 2.695079 7.412721 23 N 7.389490 6.712854 1.325016 9.192736 4.545801 24 H 5.467906 4.917920 1.077555 7.307782 4.264710 25 C 8.689179 7.850685 2.411259 10.173900 4.520213 26 C 7.496227 7.108643 2.419769 9.845023 5.932284 27 H 9.320974 8.534320 3.269073 11.107153 5.555987 28 H 8.679604 7.645736 2.614013 9.944073 3.948652 29 H 9.236825 8.447445 2.854585 10.392295 4.460788 30 H 7.903151 7.469510 3.155321 10.525203 6.569997 31 H 8.288883 8.005515 3.105625 10.496597 6.411515 32 H 6.612876 6.408818 2.513361 9.197109 6.148459 21 22 23 24 25 21 H 0.000000 22 H 2.534720 0.000000 23 N 8.120032 8.097043 0.000000 24 H 6.190875 6.069602 2.037633 0.000000 25 C 9.283977 9.319457 1.453537 3.366312 0.000000 26 C 8.502383 8.394206 1.448873 2.562081 2.486992 27 H 10.036534 10.149101 2.070980 4.097056 1.081444 28 H 9.114608 9.358832 2.084771 3.646298 1.078885 29 H 9.765128 9.559154 2.102516 3.809014 1.084440 30 H 8.972416 9.103336 2.090307 3.332552 2.781729 31 H 9.307264 8.958999 2.095229 3.294944 2.763669 32 H 7.731454 7.560373 2.083093 2.180335 3.396537 26 27 28 29 30 26 C 0.000000 27 H 2.537205 0.000000 28 H 3.318873 1.763458 0.000000 29 H 3.047299 1.764102 1.757483 0.000000 30 H 1.083967 2.454587 3.497129 3.544815 0.000000 31 H 1.084882 2.704648 3.775370 2.982273 1.761326 32 H 1.080929 3.582206 4.116287 3.922082 1.757484 31 32 31 H 0.000000 32 H 1.757367 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.268908 -1.943679 0.006829 2 6 0 -1.781497 -2.505980 1.325838 3 8 0 -1.920173 -2.462752 -1.097996 4 7 0 3.352444 0.613738 0.049763 5 8 0 0.209290 3.854747 0.013731 6 6 0 0.363994 2.670394 0.015253 7 6 0 -0.600606 1.602996 0.002842 8 7 0 -1.976318 1.639474 -0.019374 9 6 0 -2.318967 0.417895 -0.017128 10 7 0 -1.273221 -0.475138 0.003635 11 6 0 -0.158449 0.311060 0.010557 12 7 0 1.116074 -0.139900 0.034225 13 6 0 1.996735 0.811340 0.036569 14 7 0 1.659207 2.125305 0.032134 15 1 0 -0.231818 -2.201444 -0.115318 16 1 0 -1.708988 -3.587105 1.300487 17 1 0 -1.182489 -2.133682 2.148841 18 6 0 3.767533 -0.596544 -0.057621 19 35 0 -4.106869 -0.141038 -0.064298 20 1 0 2.409634 2.782848 0.036849 21 1 0 -2.813547 -2.232031 1.503971 22 1 0 -2.855897 -2.324716 -1.028700 23 7 0 5.053118 -0.914897 -0.017761 24 1 0 3.086762 -1.421848 -0.186264 25 6 0 6.061773 0.121031 0.131371 26 6 0 5.503129 -2.270113 -0.262941 27 1 0 6.986547 -0.339540 0.451041 28 1 0 5.744439 0.839777 0.870758 29 1 0 6.229498 0.639007 -0.806488 30 1 0 6.101233 -2.625915 0.568120 31 1 0 6.102044 -2.318747 -1.166215 32 1 0 4.652528 -2.926701 -0.380317 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5671205 0.1450180 0.1184625 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.6664798242 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.39D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 0.000031 0.000067 0.000018 Ang= 0.01 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58108749 A.U. after 11 cycles NFock= 11 Conv=0.40D-08 -V/T= 2.0038 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 -0.000157864 0.000419100 -0.000008900 2 6 -0.000040057 -0.000064447 -0.000035186 3 8 0.000135027 -0.000218612 -0.000121163 4 7 0.000006808 -0.000077417 0.000100249 5 8 -0.000011070 -0.000027332 -0.000014707 6 6 0.000011381 0.000103484 0.000024933 7 6 -0.000136965 -0.000082710 -0.000152328 8 7 -0.000054169 0.000246648 0.000000909 9 6 0.000092033 -0.000127631 0.000101999 10 7 -0.000073828 -0.000134057 0.000199174 11 6 0.000065973 -0.000091550 -0.000012567 12 7 0.000105802 0.000081922 0.000063654 13 6 0.000039301 0.000061284 0.000027150 14 7 -0.000125032 0.000047292 -0.000103969 15 1 0.000103522 -0.000092660 0.000090506 16 1 -0.000010832 -0.000018051 -0.000053823 17 1 0.000014169 0.000012271 -0.000036632 18 6 -0.000215929 -0.000151981 -0.000244793 19 35 0.000017126 0.000008786 -0.000042288 20 1 0.000031044 0.000003092 -0.000007161 21 1 0.000036118 -0.000022839 0.000017707 22 1 0.000018829 -0.000004548 0.000060446 23 7 0.000065899 0.000193230 0.000222587 24 1 -0.000007261 -0.000000256 0.000065185 25 6 0.000010521 0.000008040 0.000106503 26 6 0.000050080 -0.000074653 -0.000107870 27 1 -0.000019884 0.000049521 0.000078496 28 1 -0.000022730 -0.000069328 -0.000086144 29 1 0.000085086 0.000020566 -0.000055930 30 1 -0.000014661 0.000045296 -0.000072345 31 1 0.000013280 -0.000063622 -0.000042593 32 1 -0.000011720 0.000021163 0.000038905 ------------------------------------------------------------------- Cartesian Forces: Max 0.000419100 RMS 0.000099155 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000244777 RMS 0.000063729 Search for a local minimum. Step number 27 out of a maximum of 168 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 23 24 25 26 27 DE= -1.13D-05 DEPred=-7.35D-06 R= 1.54D+00 TightC=F SS= 1.41D+00 RLast= 3.76D-02 DXNew= 1.3363D+00 1.1288D-01 Trust test= 1.54D+00 RLast= 3.76D-02 DXMaxT set to 7.95D-01 ITU= 1 1 1 1 1 1 1 1 0 1 0 1 0 -1 -1 1 -1 1 1 1 ITU= 1 1 1 1 1 1 0 Eigenvalues --- 0.00120 0.00305 0.00346 0.00729 0.01064 Eigenvalues --- 0.01368 0.01661 0.01693 0.01772 0.01888 Eigenvalues --- 0.01962 0.02128 0.02265 0.02512 0.02589 Eigenvalues --- 0.02648 0.03326 0.03982 0.04461 0.05514 Eigenvalues --- 0.05599 0.05820 0.06054 0.06552 0.07236 Eigenvalues --- 0.07624 0.07648 0.07789 0.07843 0.09028 Eigenvalues --- 0.15387 0.15728 0.15981 0.15994 0.16002 Eigenvalues --- 0.16014 0.16031 0.16035 0.16126 0.16224 Eigenvalues --- 0.16553 0.17350 0.18867 0.20112 0.21421 Eigenvalues --- 0.22330 0.23544 0.23641 0.24348 0.24829 Eigenvalues --- 0.24881 0.24944 0.25145 0.25856 0.27605 Eigenvalues --- 0.29370 0.30065 0.32343 0.32777 0.33670 Eigenvalues --- 0.33717 0.33747 0.33756 0.33767 0.33787 Eigenvalues --- 0.33892 0.33955 0.34405 0.35286 0.37259 Eigenvalues --- 0.38439 0.39433 0.40726 0.41179 0.42462 Eigenvalues --- 0.43688 0.44572 0.46893 0.48632 0.48924 Eigenvalues --- 0.49283 0.50861 0.51828 0.56257 0.56821 Eigenvalues --- 0.60852 0.70477 0.75440 0.79932 0.87689 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 27 26 25 24 23 22 21 20 RFO step: Lambda=-2.49703132D-05. DidBck=F Rises=F RFO-DIIS coefs: 2.35337 -1.01506 -0.33233 0.01071 -0.28117 RFO-DIIS coefs: 0.29169 0.01235 -0.03957 Iteration 1 RMS(Cart)= 0.01348082 RMS(Int)= 0.00008020 Iteration 2 RMS(Cart)= 0.00012138 RMS(Int)= 0.00001167 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00001167 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87755 -0.00010 -0.00029 0.00016 -0.00013 2.87742 R2 2.61454 0.00024 -0.00176 0.00091 -0.00085 2.61368 R3 2.77516 0.00005 0.00152 -0.00088 0.00065 2.77580 R4 2.03259 -0.00000 0.00024 -0.00009 0.00015 2.03274 R5 2.04818 -0.00002 0.00009 -0.00001 0.00008 2.04826 R6 2.04820 -0.00001 -0.00004 -0.00003 -0.00007 2.04813 R7 2.04572 -0.00001 0.00005 -0.00006 -0.00001 2.04571 R8 1.79219 0.00001 -0.00059 0.00039 -0.00020 1.79199 R9 2.58911 -0.00011 0.00103 -0.00084 0.00019 2.58930 R10 2.42638 -0.00007 -0.00026 -0.00017 -0.00043 2.42595 R11 2.25712 0.00000 -0.00009 -0.00000 -0.00009 2.25703 R12 2.71881 0.00011 -0.00165 0.00092 -0.00074 2.71807 R13 2.65571 0.00000 0.00210 -0.00098 0.00112 2.65683 R14 2.60097 -0.00008 0.00105 -0.00042 0.00063 2.60160 R15 2.58047 0.00012 0.00002 0.00003 0.00006 2.58053 R16 2.39755 0.00022 -0.00115 0.00059 -0.00056 2.39699 R17 2.59899 -0.00000 0.00053 0.00000 0.00053 2.59952 R18 3.54102 -0.00003 -0.00013 0.00024 0.00011 3.54113 R19 2.57785 0.00010 -0.00151 0.00064 -0.00088 2.57697 R20 2.55521 0.00005 0.00001 0.00012 0.00013 2.55534 R21 2.44968 0.00003 0.00010 -0.00021 -0.00011 2.44957 R22 2.56366 0.00009 -0.00072 0.00026 -0.00046 2.56320 R23 1.88549 0.00000 -0.00007 0.00005 -0.00002 1.88547 R24 2.50392 0.00019 0.00017 0.00032 0.00048 2.50440 R25 2.03628 0.00002 -0.00010 0.00018 0.00009 2.03637 R26 2.74679 -0.00002 -0.00052 0.00003 -0.00049 2.74629 R27 2.73797 0.00004 -0.00002 0.00006 0.00004 2.73801 R28 2.04363 0.00003 0.00011 0.00004 0.00015 2.04378 R29 2.03880 -0.00005 -0.00009 -0.00019 -0.00028 2.03852 R30 2.04929 0.00004 0.00028 0.00003 0.00031 2.04961 R31 2.04840 -0.00003 -0.00004 -0.00005 -0.00009 2.04832 R32 2.05013 0.00004 0.00009 0.00004 0.00013 2.05026 R33 2.04266 -0.00001 0.00026 -0.00017 0.00009 2.04275 A1 1.97655 -0.00013 0.00172 -0.00090 0.00082 1.97737 A2 1.94998 0.00003 -0.00256 0.00141 -0.00116 1.94883 A3 1.91181 -0.00003 0.00012 -0.00038 -0.00027 1.91155 A4 1.95202 0.00010 0.00050 -0.00064 -0.00013 1.95188 A5 1.84759 -0.00001 0.00111 -0.00033 0.00078 1.84837 A6 1.81546 0.00005 -0.00089 0.00088 -0.00001 1.81545 A7 1.90240 -0.00008 0.00059 -0.00029 0.00030 1.90271 A8 1.92288 -0.00004 -0.00099 0.00030 -0.00069 1.92219 A9 1.94982 0.00006 0.00043 -0.00010 0.00033 1.95014 A10 1.90014 0.00005 -0.00032 0.00006 -0.00025 1.89988 A11 1.89658 -0.00000 -0.00001 0.00002 0.00001 1.89659 A12 1.89126 0.00002 0.00028 0.00001 0.00029 1.89155 A13 1.92995 -0.00005 0.00078 -0.00058 0.00020 1.93015 A14 2.04320 -0.00023 0.00194 -0.00218 -0.00025 2.04296 A15 2.27681 -0.00003 0.00096 -0.00036 0.00061 2.27741 A16 2.09901 0.00002 -0.00059 0.00024 -0.00034 2.09866 A17 1.90737 0.00001 -0.00038 0.00012 -0.00026 1.90711 A18 2.27918 0.00002 -0.00036 0.00023 -0.00013 2.27904 A19 2.07691 0.00004 0.00061 -0.00003 0.00057 2.07748 A20 1.92710 -0.00005 -0.00025 -0.00019 -0.00044 1.92666 A21 1.81769 0.00005 -0.00053 0.00058 0.00005 1.81774 A22 2.00410 -0.00001 0.00057 -0.00053 0.00004 2.00413 A23 2.14700 0.00001 -0.00004 0.00027 0.00022 2.14722 A24 2.13198 -0.00000 -0.00049 0.00025 -0.00024 2.13175 A25 2.28047 0.00012 -0.00149 0.00073 -0.00075 2.27972 A26 2.18208 -0.00007 0.00160 -0.00081 0.00080 2.18288 A27 1.82060 -0.00005 -0.00016 0.00007 -0.00009 1.82051 A28 1.85525 0.00007 0.00038 0.00008 0.00045 1.85570 A29 2.24062 -0.00008 -0.00016 -0.00021 -0.00037 2.24025 A30 2.18726 0.00001 -0.00021 0.00014 -0.00007 2.18719 A31 1.97757 0.00001 0.00018 -0.00017 0.00001 1.97758 A32 2.17294 -0.00017 -0.00070 0.00004 -0.00066 2.17228 A33 1.96699 0.00010 0.00094 -0.00058 0.00037 1.96735 A34 2.14325 0.00008 -0.00023 0.00053 0.00030 2.14355 A35 2.22058 -0.00006 0.00001 -0.00026 -0.00025 2.22032 A36 2.02374 0.00006 -0.00097 0.00074 -0.00024 2.02350 A37 2.03885 0.00000 0.00095 -0.00047 0.00048 2.03934 A38 2.13841 0.00013 0.00088 0.00011 0.00099 2.13939 A39 2.12667 -0.00007 0.00053 -0.00054 -0.00001 2.12666 A40 2.01811 -0.00006 -0.00142 0.00043 -0.00098 2.01713 A41 2.10033 0.00007 0.00071 0.00017 0.00081 2.10115 A42 2.11881 -0.00005 -0.00093 0.00017 -0.00083 2.11798 A43 2.05834 -0.00002 -0.00180 -0.00001 -0.00186 2.05648 A44 1.89674 0.00003 0.00021 0.00000 0.00022 1.89695 A45 1.91878 -0.00003 0.00002 -0.00031 -0.00029 1.91848 A46 1.93800 0.00000 -0.00014 0.00026 0.00012 1.93812 A47 1.90992 0.00000 -0.00073 0.00031 -0.00042 1.90950 A48 1.90372 -0.00001 0.00022 -0.00024 -0.00001 1.90370 A49 1.89651 0.00000 0.00040 -0.00002 0.00038 1.89688 A50 1.92694 -0.00003 0.00027 -0.00034 -0.00007 1.92687 A51 1.93295 0.00002 -0.00071 0.00049 -0.00023 1.93272 A52 1.91998 -0.00001 0.00117 -0.00053 0.00064 1.92061 A53 1.89549 0.00000 -0.00031 0.00010 -0.00021 1.89528 A54 1.89449 0.00003 0.00010 0.00005 0.00015 1.89464 A55 1.89313 -0.00001 -0.00054 0.00025 -0.00029 1.89284 D1 0.97165 -0.00006 0.00032 -0.00010 0.00022 0.97187 D2 3.05558 -0.00007 -0.00030 -0.00002 -0.00032 3.05526 D3 -1.12446 -0.00004 -0.00033 0.00013 -0.00020 -1.12466 D4 -3.08837 -0.00001 0.00027 -0.00053 -0.00026 -3.08863 D5 -1.00444 -0.00002 -0.00035 -0.00045 -0.00080 -1.00524 D6 1.09871 0.00001 -0.00039 -0.00030 -0.00068 1.09802 D7 -1.08623 0.00006 -0.00222 0.00113 -0.00109 -1.08732 D8 0.99770 0.00004 -0.00283 0.00121 -0.00163 0.99607 D9 3.10085 0.00008 -0.00287 0.00136 -0.00151 3.09933 D10 0.97822 0.00001 -0.00874 0.00243 -0.00631 0.97191 D11 -1.24388 -0.00001 -0.00708 0.00178 -0.00530 -1.24918 D12 3.07313 -0.00010 -0.00689 0.00123 -0.00566 3.06747 D13 -1.21678 0.00004 -0.00173 -0.00048 -0.00220 -1.21898 D14 1.93513 0.00008 0.00212 0.00112 0.00324 1.93837 D15 1.01954 -0.00003 -0.00110 -0.00106 -0.00216 1.01739 D16 -2.11174 0.00000 0.00275 0.00054 0.00329 -2.10845 D17 3.00569 0.00002 -0.00006 -0.00125 -0.00131 3.00438 D18 -0.12558 0.00006 0.00378 0.00036 0.00413 -0.12145 D19 0.10343 0.00006 0.01409 0.00084 0.01493 0.11836 D20 -3.04307 0.00008 0.01738 -0.00186 0.01552 -3.02755 D21 -3.10592 0.00010 0.00329 0.00160 0.00489 -3.10103 D22 0.03525 0.00000 0.00323 -0.00013 0.00310 0.03836 D23 0.00484 -0.00003 0.00193 -0.00294 -0.00101 0.00383 D24 -3.13938 -0.00001 -0.00024 -0.00131 -0.00154 -3.14092 D25 -3.13744 -0.00001 -0.00164 0.00115 -0.00049 -3.13793 D26 0.00153 0.00001 -0.00381 0.00278 -0.00103 0.00050 D27 3.14108 -0.00000 0.00101 0.00073 0.00175 -3.14036 D28 -0.00613 0.00000 -0.00182 0.00190 0.00009 -0.00604 D29 0.00009 -0.00002 0.00417 -0.00287 0.00130 0.00138 D30 3.13607 -0.00002 0.00134 -0.00170 -0.00036 3.13570 D31 -3.13817 -0.00002 -0.00102 -0.00061 -0.00163 -3.13980 D32 0.00587 -0.00004 0.00100 -0.00214 -0.00114 0.00474 D33 3.13554 0.00002 0.00144 -0.00014 0.00130 3.13684 D34 0.00486 0.00000 0.00128 -0.00076 0.00051 0.00537 D35 -0.00818 0.00004 -0.00032 0.00119 0.00087 -0.00732 D36 -3.13886 0.00002 -0.00048 0.00056 0.00008 -3.13878 D37 -0.00128 0.00003 -0.00135 0.00234 0.00100 -0.00028 D38 -3.12751 0.00006 -0.00399 0.00312 -0.00087 -3.12838 D39 -3.13652 0.00003 0.00441 -0.00031 0.00410 -3.13242 D40 -0.00365 -0.00001 0.00118 -0.00167 -0.00049 -0.00414 D41 -0.01015 -0.00001 0.00703 -0.00108 0.00595 -0.00419 D42 3.12273 -0.00004 0.00380 -0.00244 0.00136 3.12409 D43 3.14043 -0.00005 -0.00346 -0.00106 -0.00453 3.13591 D44 -0.01165 -0.00003 -0.00331 -0.00047 -0.00378 -0.01542 D45 0.00692 -0.00002 -0.00044 0.00019 -0.00026 0.00666 D46 3.13802 0.00000 -0.00029 0.00079 0.00050 3.13852 D47 -0.01223 -0.00001 0.00172 -0.00173 -0.00000 -0.01223 D48 -3.14098 -0.00004 0.00153 -0.00246 -0.00093 3.14128 D49 -3.13375 0.00003 0.00196 -0.00114 0.00082 -3.13293 D50 0.01323 0.00000 -0.00166 0.00182 0.00017 0.01339 D51 3.13806 -0.00001 -0.00472 0.00321 -0.00151 3.13655 D52 0.00212 -0.00001 -0.00187 0.00203 0.00016 0.00228 D53 -0.00835 0.00001 -0.00149 0.00056 -0.00093 -0.00928 D54 3.13890 0.00001 0.00136 -0.00062 0.00074 3.13965 D55 -0.01721 -0.00005 -0.00765 0.00159 -0.00609 -0.02330 D56 -3.04185 -0.00002 0.01357 -0.00179 0.01182 -3.03003 D57 3.12478 0.00004 -0.00759 0.00323 -0.00441 3.12037 D58 0.10014 0.00008 0.01362 -0.00015 0.01351 0.11364 D59 2.83370 -0.00008 -0.00846 -0.00556 -0.01402 2.81968 D60 0.74375 -0.00008 -0.00771 -0.00575 -0.01347 0.73028 D61 -1.35553 -0.00007 -0.00813 -0.00569 -0.01383 -1.36936 D62 -0.42087 -0.00011 -0.02898 -0.00228 -0.03126 -0.45212 D63 -2.51082 -0.00011 -0.02824 -0.00248 -0.03071 -2.54152 D64 1.67309 -0.00010 -0.02865 -0.00241 -0.03106 1.64203 D65 -2.17674 -0.00008 -0.00481 -0.00207 -0.00686 -2.18360 D66 2.00635 -0.00007 -0.00413 -0.00229 -0.00640 1.99995 D67 -0.08626 -0.00007 -0.00377 -0.00256 -0.00630 -0.09257 D68 1.07908 -0.00005 0.01585 -0.00538 0.01044 1.08953 D69 -1.02101 -0.00005 0.01653 -0.00560 0.01090 -1.01011 D70 -3.11362 -0.00004 0.01689 -0.00587 0.01099 -3.10263 Item Value Threshold Converged? Maximum Force 0.000245 0.000450 YES RMS Force 0.000064 0.000300 YES Maximum Displacement 0.069774 0.001800 NO RMS Displacement 0.013484 0.001200 NO Predicted change in Energy=-1.096950D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.199239 -4.822754 2.238564 2 6 0 7.184964 -4.999759 3.750838 3 8 0 7.418855 -6.003029 1.551768 4 7 0 7.670017 0.079669 0.329319 5 8 0 3.274452 -0.899492 -0.001397 6 6 0 4.329054 -1.335950 0.350503 7 6 0 4.668107 -2.611772 0.921594 8 7 0 3.876330 -3.696972 1.222850 9 6 0 4.685255 -4.546628 1.705186 10 7 0 5.994874 -4.129597 1.762448 11 6 0 5.970093 -2.868861 1.243280 12 7 0 7.044529 -2.059843 1.103309 13 6 0 6.755438 -0.908905 0.581730 14 7 0 5.493371 -0.557050 0.230777 15 1 0 8.004701 -4.166004 1.961082 16 1 0 8.113376 -5.465436 4.060708 17 1 0 7.096770 -4.035849 4.238453 18 6 0 8.907654 -0.210223 0.508891 19 35 0 4.155550 -6.250215 2.278471 20 1 0 5.371784 0.352082 -0.161905 21 1 0 6.360374 -5.622359 4.073817 22 1 0 6.778258 -6.656983 1.799178 23 7 0 9.879522 0.675050 0.341230 24 1 0 9.222986 -1.195798 0.809614 25 6 0 9.574261 2.029142 -0.089193 26 6 0 11.273566 0.287512 0.417031 27 1 0 10.417340 2.665205 0.143902 28 1 0 8.698965 2.390523 0.427465 29 1 0 9.387263 2.065620 -1.156933 30 1 0 11.795284 0.894517 1.147949 31 1 0 11.759445 0.410849 -0.545168 32 1 0 11.354321 -0.749687 0.710639 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522664 0.000000 3 O 1.383102 2.428408 0.000000 4 N 5.282101 6.143505 6.209402 0.000000 5 O 5.984426 6.795848 6.755330 4.515431 0.000000 6 C 4.894950 5.756909 5.724643 3.628562 1.194367 7 C 3.609637 4.476792 4.411842 4.075059 2.392925 8 N 3.652503 4.362915 4.239760 5.427105 3.112384 9 C 2.584735 3.261682 3.101163 5.674895 4.266660 10 N 1.468893 2.475316 2.362595 4.751618 4.576617 11 C 2.513780 3.507775 3.466567 3.524045 3.562879 12 N 2.991056 3.958818 3.986220 2.359620 4.096372 13 C 4.273204 5.192574 5.227925 1.370198 3.529503 14 N 5.013724 5.915233 5.925470 2.270002 2.257160 15 H 1.075680 2.137835 1.971146 4.560745 6.074263 16 H 2.137498 1.083893 2.658222 6.698360 7.795109 17 H 2.151575 1.083821 3.345416 5.705035 6.513308 18 C 5.214009 6.034694 6.071303 1.283756 5.698109 19 Br 3.362035 3.592889 3.352366 7.497873 5.882547 20 H 5.990056 6.873091 6.893085 2.365879 2.447652 21 H 2.170534 1.082541 2.761526 6.946190 6.959580 22 H 1.932532 2.592446 0.948278 6.952567 6.976204 23 N 6.403877 7.147694 7.219212 2.288348 6.798788 24 H 4.392295 5.222494 5.187981 2.066207 6.010872 25 C 7.616276 8.358230 8.476691 2.757126 6.947819 26 C 6.784758 7.469014 7.464404 3.610604 8.097523 27 H 8.415064 9.066968 9.279616 3.777189 7.984298 28 H 7.586871 8.243377 8.564721 2.531484 6.358731 29 H 7.985396 8.880085 8.735834 3.016933 6.891560 30 H 7.416216 7.922914 8.178774 4.283919 8.783168 31 H 7.478987 8.285905 8.023447 4.194977 8.602778 32 H 6.015741 6.685017 6.617627 3.795700 8.112565 6 7 8 9 10 6 C 0.000000 7 C 1.438341 0.000000 8 N 2.557416 1.376708 0.000000 9 C 3.502927 2.087577 1.268433 0.000000 10 N 3.545844 2.184294 2.228578 1.375608 0.000000 11 C 2.416584 1.365556 2.251672 2.163116 1.363674 12 N 2.909389 2.446431 3.568187 3.480306 2.412492 13 C 2.474505 2.715183 4.058770 4.333687 3.513604 14 N 1.405936 2.319520 3.668534 4.329396 3.919262 15 H 4.910556 3.824792 4.220002 3.350982 2.019947 16 H 6.718585 5.465100 5.397542 4.259661 3.399193 17 H 5.483235 4.350627 4.424922 3.534649 2.711745 18 C 4.717619 4.889941 6.162903 6.169618 5.041546 19 Br 5.281777 3.916898 2.776931 1.873886 2.854192 20 H 2.049220 3.233197 4.533075 5.287222 4.916994 21 H 6.030144 4.675887 4.243301 3.094130 2.775672 22 H 6.034124 4.646140 4.185092 2.973734 2.646265 23 N 5.903551 6.188608 7.478646 7.490442 6.339951 24 H 4.917418 4.771210 5.917209 5.711490 4.464949 25 C 6.247349 6.828625 8.183902 8.388261 7.360071 26 C 7.132062 7.231357 8.440649 8.272491 7.013244 27 H 7.288289 7.842510 9.188375 9.343711 8.267238 28 H 5.743575 6.443208 7.806922 8.115818 7.183749 29 H 6.279214 6.961947 8.321131 8.603629 7.642761 30 H 7.832975 7.946191 9.154082 8.970457 7.698317 31 H 7.685327 7.846955 9.063310 8.926637 7.692270 32 H 7.058880 6.943869 8.054141 7.738367 6.422909 11 12 13 14 15 11 C 0.000000 12 N 1.352225 0.000000 13 C 2.212655 1.296255 0.000000 14 N 2.568442 2.329333 1.356387 0.000000 15 H 2.517429 2.468526 3.751261 4.724964 0.000000 16 H 4.390190 4.635376 5.891457 6.754632 2.471591 17 H 3.406219 3.706273 4.823475 5.543862 2.455136 18 C 4.029509 2.691777 2.263955 3.443104 4.309569 19 Br 3.974637 5.223640 6.178021 6.196365 4.388694 20 H 3.564687 3.196283 2.014344 0.997749 5.643796 21 H 3.968125 4.688657 5.879405 6.417010 3.047693 22 H 3.913058 4.657126 5.875636 6.428063 2.781250 23 N 5.353189 4.012181 3.510934 4.557257 5.438261 24 H 3.683547 2.361886 2.494600 3.827934 3.410604 25 C 6.225427 4.953928 4.126502 4.841945 6.711704 26 C 6.226733 4.885265 4.676753 5.844539 5.736146 27 H 7.184185 5.884080 5.135706 5.885231 7.469162 28 H 5.981088 4.795798 3.832404 4.359209 6.769197 29 H 6.464300 5.255144 4.335579 4.895562 7.103987 30 H 6.935773 5.594633 5.382656 6.531643 6.374839 31 H 6.889967 5.572453 5.296389 6.387692 6.428606 32 H 5.810724 4.521616 4.603443 5.883716 4.945178 16 17 18 19 20 16 H 0.000000 17 H 1.763179 0.000000 18 C 6.392460 5.641307 0.000000 19 Br 4.410967 4.170818 7.886406 0.000000 20 H 7.693524 6.449238 3.642599 7.143178 0.000000 21 H 1.760060 1.756815 6.963372 2.911824 7.390034 22 H 2.883893 3.594698 6.910852 2.696994 7.412895 23 N 7.393197 6.717487 1.325272 9.191085 4.547214 24 H 5.480023 4.933925 1.077602 7.306406 4.262809 25 C 8.690487 7.851789 2.411809 10.174281 4.525332 26 C 7.507303 7.123225 2.419446 9.842407 5.930461 27 H 9.314340 8.526174 3.268096 11.101851 5.558928 28 H 8.675221 7.641264 2.610375 9.936357 3.946230 29 H 9.250047 8.460760 2.860849 10.407974 4.477763 30 H 7.905037 7.479021 3.157096 10.520970 6.578093 31 H 8.308949 8.024755 3.103141 10.495805 6.399419 32 H 6.630609 6.432034 2.513544 9.194357 6.145403 21 22 23 24 25 21 H 0.000000 22 H 2.533586 0.000000 23 N 8.122436 8.093340 0.000000 24 H 6.200323 6.064690 2.037277 0.000000 25 C 9.284675 9.318387 1.453276 3.366227 0.000000 26 C 8.511058 8.387141 1.448893 2.561096 2.485392 27 H 10.029303 10.143275 2.070966 4.095973 1.081523 28 H 9.108851 9.350297 2.084226 3.644493 1.078737 29 H 9.778948 9.572319 2.102497 3.811974 1.084605 30 H 8.976002 9.089543 2.090241 3.331757 2.784033 31 H 9.321190 8.958930 2.095140 3.293991 2.757139 32 H 7.745541 7.551252 2.083596 2.179771 3.395620 26 27 28 29 30 26 C 0.000000 27 H 2.541879 0.000000 28 H 3.324355 1.763142 0.000000 29 H 3.032684 1.764294 1.757735 0.000000 30 H 1.083922 2.458084 3.513449 3.533063 0.000000 31 H 1.084950 2.712598 3.772488 2.956311 1.761212 32 H 1.080976 3.586170 4.122138 3.909360 1.757582 31 32 31 H 0.000000 32 H 1.757277 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.268946 -1.943739 0.011456 2 6 0 -1.786404 -2.504046 1.329332 3 8 0 -1.916567 -2.462215 -1.095224 4 7 0 3.352403 0.613892 0.058987 5 8 0 0.209231 3.855250 0.002551 6 6 0 0.363640 2.670934 0.010661 7 6 0 -0.600272 1.603408 0.001333 8 7 0 -1.976283 1.639447 -0.023605 9 6 0 -2.318585 0.418086 -0.018442 10 7 0 -1.272522 -0.474854 0.008161 11 6 0 -0.158362 0.311406 0.015105 12 7 0 1.116256 -0.139237 0.043068 13 6 0 1.996710 0.812118 0.043284 14 7 0 1.659420 2.125860 0.033089 15 1 0 -0.231400 -2.202032 -0.106318 16 1 0 -1.715174 -3.585337 1.305647 17 1 0 -1.188893 -2.131622 2.153316 18 6 0 3.767119 -0.595130 -0.060613 19 35 0 -4.106244 -0.141792 -0.065998 20 1 0 2.409600 2.783679 0.035927 21 1 0 -2.818571 -2.228561 1.504356 22 1 0 -2.852805 -2.327895 -1.027050 23 7 0 5.051976 -0.916652 -0.014638 24 1 0 3.086483 -1.418216 -0.203763 25 6 0 6.062539 0.114964 0.148280 26 6 0 5.501499 -2.266618 -0.288152 27 1 0 6.980028 -0.348703 0.484312 28 1 0 5.736396 0.836551 0.880823 29 1 0 6.247930 0.629944 -0.788092 30 1 0 6.095619 -2.641560 0.537273 31 1 0 6.104592 -2.295469 -1.189576 32 1 0 4.651053 -2.919823 -0.424442 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5670326 0.1450307 0.1184897 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.7400887048 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.39D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000046 0.000073 0.000040 Ang= -0.01 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58109918 A.U. after 11 cycles NFock= 11 Conv=0.40D-08 -V/T= 2.0038 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 -0.000401688 0.000860181 0.000193186 2 6 0.000122669 -0.000107139 0.000023583 3 8 0.000327828 -0.000351728 -0.000238326 4 7 -0.000134063 -0.000059709 0.000077896 5 8 -0.000055304 -0.000052129 0.000015424 6 6 0.000329119 0.000524826 -0.000043969 7 6 -0.000322478 -0.000504862 0.000107654 8 7 -0.000146888 0.000554859 -0.000280084 9 6 0.000402549 -0.000244691 0.000348127 10 7 -0.000217564 -0.000592675 0.000223142 11 6 0.000238272 0.000262616 -0.000285480 12 7 0.000063496 -0.000033027 0.000144118 13 6 0.000257518 0.000075360 -0.000171442 14 7 -0.000542008 -0.000129529 -0.000061699 15 1 0.000073570 -0.000155250 0.000044366 16 1 -0.000017396 -0.000021139 -0.000067640 17 1 -0.000014217 0.000005568 0.000008717 18 6 -0.000074329 -0.000127583 0.000083449 19 35 -0.000024069 0.000002313 -0.000114634 20 1 0.000059873 0.000018093 -0.000001369 21 1 0.000062155 0.000011000 0.000012256 22 1 -0.000097735 -0.000063409 0.000068685 23 7 0.000090162 0.000036716 -0.000168876 24 1 -0.000064848 -0.000008063 0.000016600 25 6 -0.000037836 0.000136547 0.000253153 26 6 0.000091426 -0.000054668 -0.000076080 27 1 0.000010672 0.000040635 0.000058320 28 1 -0.000030230 -0.000120355 -0.000093915 29 1 0.000113933 0.000036095 -0.000050788 30 1 -0.000013685 0.000078084 -0.000062107 31 1 0.000008355 -0.000081492 -0.000046491 32 1 -0.000057257 0.000064556 0.000084223 ------------------------------------------------------------------- Cartesian Forces: Max 0.000860181 RMS 0.000209695 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000523461 RMS 0.000107260 Search for a local minimum. Step number 28 out of a maximum of 168 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 23 24 25 26 27 28 DE= -1.17D-05 DEPred=-1.10D-05 R= 1.07D+00 TightC=F SS= 1.41D+00 RLast= 7.14D-02 DXNew= 1.3363D+00 2.1419D-01 Trust test= 1.07D+00 RLast= 7.14D-02 DXMaxT set to 7.95D-01 ITU= 1 1 1 1 1 1 1 1 1 0 1 0 1 0 -1 -1 1 -1 1 1 ITU= 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00108 0.00257 0.00305 0.00681 0.01063 Eigenvalues --- 0.01499 0.01660 0.01702 0.01790 0.01889 Eigenvalues --- 0.02008 0.02128 0.02351 0.02534 0.02590 Eigenvalues --- 0.02652 0.03327 0.04066 0.04475 0.05507 Eigenvalues --- 0.05601 0.05789 0.05975 0.06543 0.07366 Eigenvalues --- 0.07626 0.07646 0.07839 0.07863 0.08935 Eigenvalues --- 0.15391 0.15708 0.15978 0.15998 0.16004 Eigenvalues --- 0.16014 0.16027 0.16035 0.16136 0.16307 Eigenvalues --- 0.16560 0.17332 0.18858 0.20124 0.21430 Eigenvalues --- 0.22304 0.23570 0.23673 0.24303 0.24795 Eigenvalues --- 0.24875 0.24967 0.25456 0.25965 0.27662 Eigenvalues --- 0.29303 0.30165 0.32464 0.33139 0.33669 Eigenvalues --- 0.33717 0.33747 0.33759 0.33772 0.33788 Eigenvalues --- 0.33894 0.33968 0.34502 0.35739 0.37256 Eigenvalues --- 0.38438 0.39592 0.40739 0.41178 0.42931 Eigenvalues --- 0.43693 0.44649 0.46946 0.48633 0.48927 Eigenvalues --- 0.49251 0.50836 0.52270 0.56202 0.57454 Eigenvalues --- 0.61067 0.70533 0.77165 0.79927 0.87704 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 28 27 26 25 24 23 22 21 20 RFO step: Lambda=-1.68768189D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.56705 0.22367 -0.89288 -0.25340 0.67718 RFO-DIIS coefs: -0.65655 0.24063 0.07912 0.01518 Iteration 1 RMS(Cart)= 0.01166651 RMS(Int)= 0.00005223 Iteration 2 RMS(Cart)= 0.00009202 RMS(Int)= 0.00000498 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000498 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87742 -0.00001 -0.00025 0.00017 -0.00008 2.87734 R2 2.61368 0.00048 -0.00099 0.00117 0.00017 2.61386 R3 2.77580 -0.00002 0.00074 -0.00074 -0.00001 2.77580 R4 2.03274 -0.00005 0.00009 -0.00004 0.00004 2.03278 R5 2.04826 -0.00003 0.00003 -0.00002 0.00001 2.04827 R6 2.04813 0.00001 -0.00001 -0.00002 -0.00003 2.04809 R7 2.04571 -0.00005 -0.00001 -0.00006 -0.00008 2.04563 R8 1.79199 0.00013 -0.00036 0.00033 -0.00003 1.79195 R9 2.58930 -0.00012 0.00120 -0.00109 0.00011 2.58941 R10 2.42595 0.00003 0.00005 -0.00034 -0.00029 2.42566 R11 2.25703 0.00003 -0.00014 0.00010 -0.00004 2.25698 R12 2.71807 0.00030 -0.00090 0.00078 -0.00012 2.71795 R13 2.65683 -0.00030 0.00134 -0.00098 0.00036 2.65719 R14 2.60160 -0.00027 0.00030 -0.00015 0.00014 2.60175 R15 2.58053 0.00014 0.00014 -0.00007 0.00007 2.58060 R16 2.39699 0.00052 -0.00062 0.00052 -0.00010 2.39689 R17 2.59952 -0.00010 0.00024 0.00010 0.00035 2.59987 R18 3.54113 -0.00003 -0.00049 0.00042 -0.00007 3.54106 R19 2.57697 0.00038 -0.00100 0.00071 -0.00029 2.57668 R20 2.55534 0.00002 0.00002 0.00015 0.00017 2.55551 R21 2.44957 0.00012 0.00017 -0.00026 -0.00009 2.44948 R22 2.56320 0.00022 -0.00023 0.00022 -0.00001 2.56319 R23 1.88547 0.00001 -0.00006 0.00005 -0.00001 1.88547 R24 2.50440 0.00023 0.00028 0.00028 0.00057 2.50497 R25 2.03637 -0.00001 -0.00021 0.00027 0.00007 2.03644 R26 2.74629 0.00003 -0.00049 0.00018 -0.00031 2.74598 R27 2.73801 0.00002 0.00000 0.00009 0.00010 2.73811 R28 2.04378 0.00004 0.00014 0.00000 0.00014 2.04392 R29 2.03852 -0.00006 -0.00013 -0.00013 -0.00025 2.03827 R30 2.04961 0.00003 0.00026 0.00000 0.00026 2.04987 R31 2.04832 -0.00000 -0.00004 -0.00012 -0.00016 2.04815 R32 2.05026 0.00004 0.00013 0.00006 0.00019 2.05045 R33 2.04275 -0.00004 0.00011 -0.00008 0.00002 2.04277 A1 1.97737 -0.00021 0.00063 -0.00061 0.00003 1.97739 A2 1.94883 0.00027 -0.00087 0.00098 0.00011 1.94893 A3 1.91155 -0.00007 0.00020 -0.00080 -0.00059 1.91096 A4 1.95188 0.00001 0.00048 -0.00049 -0.00001 1.95187 A5 1.84837 0.00000 -0.00027 0.00043 0.00017 1.84853 A6 1.81545 -0.00001 -0.00023 0.00053 0.00030 1.81575 A7 1.90271 -0.00010 0.00020 -0.00048 -0.00028 1.90243 A8 1.92219 0.00002 -0.00072 0.00044 -0.00028 1.92192 A9 1.95014 0.00005 0.00032 0.00013 0.00046 1.95060 A10 1.89988 0.00004 0.00002 -0.00010 -0.00008 1.89981 A11 1.89659 0.00000 -0.00007 -0.00002 -0.00009 1.89650 A12 1.89155 -0.00002 0.00025 0.00002 0.00026 1.89181 A13 1.93015 -0.00008 -0.00050 0.00039 -0.00012 1.93003 A14 2.04296 -0.00016 0.00239 -0.00267 -0.00028 2.04268 A15 2.27741 -0.00012 0.00054 -0.00045 0.00009 2.27750 A16 2.09866 0.00005 -0.00026 0.00023 -0.00002 2.09864 A17 1.90711 0.00007 -0.00028 0.00022 -0.00007 1.90704 A18 2.27904 0.00002 -0.00030 0.00021 -0.00009 2.27895 A19 2.07748 -0.00006 0.00024 0.00008 0.00032 2.07780 A20 1.92666 0.00004 0.00006 -0.00029 -0.00023 1.92643 A21 1.81774 0.00006 -0.00053 0.00064 0.00011 1.81786 A22 2.00413 -0.00005 0.00052 -0.00057 -0.00004 2.00409 A23 2.14722 -0.00006 -0.00000 0.00012 0.00012 2.14734 A24 2.13175 0.00012 -0.00053 0.00044 -0.00008 2.13167 A25 2.27972 0.00032 -0.00061 0.00058 -0.00005 2.27966 A26 2.18288 -0.00027 0.00077 -0.00065 0.00010 2.18298 A27 1.82051 -0.00006 -0.00017 0.00006 -0.00012 1.82040 A28 1.85570 0.00001 0.00011 0.00015 0.00027 1.85597 A29 2.24025 -0.00002 0.00006 -0.00037 -0.00031 2.23994 A30 2.18719 0.00001 -0.00018 0.00022 0.00003 2.18722 A31 1.97758 -0.00001 0.00018 -0.00013 0.00005 1.97763 A32 2.17228 -0.00009 -0.00033 -0.00016 -0.00049 2.17178 A33 1.96735 0.00006 0.00077 -0.00052 0.00025 1.96761 A34 2.14355 0.00003 -0.00043 0.00067 0.00024 2.14379 A35 2.22032 -0.00001 0.00025 -0.00048 -0.00023 2.22009 A36 2.02350 0.00006 -0.00048 0.00060 0.00012 2.02362 A37 2.03934 -0.00005 0.00022 -0.00011 0.00011 2.03945 A38 2.13939 0.00008 0.00052 0.00034 0.00086 2.14026 A39 2.12666 -0.00011 0.00032 -0.00054 -0.00022 2.12644 A40 2.01713 0.00003 -0.00085 0.00020 -0.00065 2.01648 A41 2.10115 0.00007 -0.00008 0.00066 0.00058 2.10173 A42 2.11798 -0.00002 -0.00061 -0.00023 -0.00084 2.11714 A43 2.05648 -0.00004 -0.00127 0.00001 -0.00126 2.05522 A44 1.89695 0.00002 0.00008 0.00017 0.00024 1.89720 A45 1.91848 -0.00009 -0.00018 -0.00023 -0.00041 1.91807 A46 1.93812 0.00003 0.00007 0.00013 0.00020 1.93832 A47 1.90950 0.00005 -0.00034 0.00023 -0.00011 1.90939 A48 1.90370 -0.00003 0.00008 -0.00024 -0.00016 1.90355 A49 1.89688 0.00002 0.00028 -0.00005 0.00024 1.89712 A50 1.92687 -0.00005 -0.00018 -0.00031 -0.00050 1.92637 A51 1.93272 0.00005 -0.00034 0.00068 0.00034 1.93306 A52 1.92061 -0.00008 0.00063 -0.00036 0.00027 1.92088 A53 1.89528 0.00001 -0.00014 0.00001 -0.00013 1.89515 A54 1.89464 0.00005 0.00011 -0.00004 0.00007 1.89471 A55 1.89284 0.00003 -0.00009 0.00003 -0.00005 1.89279 D1 0.97187 -0.00009 -0.00052 0.00027 -0.00025 0.97162 D2 3.05526 -0.00009 -0.00081 0.00013 -0.00068 3.05458 D3 -1.12466 -0.00006 -0.00077 0.00053 -0.00024 -1.12490 D4 -3.08863 -0.00002 -0.00007 -0.00008 -0.00015 -3.08878 D5 -1.00524 -0.00002 -0.00036 -0.00022 -0.00058 -1.00582 D6 1.09802 0.00001 -0.00033 0.00019 -0.00014 1.09789 D7 -1.08732 0.00008 -0.00072 0.00065 -0.00008 -1.08740 D8 0.99607 0.00008 -0.00101 0.00050 -0.00051 0.99556 D9 3.09933 0.00011 -0.00098 0.00091 -0.00007 3.09927 D10 0.97191 0.00013 -0.00545 0.00280 -0.00265 0.96926 D11 -1.24918 -0.00008 -0.00518 0.00238 -0.00281 -1.25198 D12 3.06747 -0.00007 -0.00499 0.00175 -0.00324 3.06423 D13 -1.21898 0.00001 0.00063 -0.00154 -0.00091 -1.21989 D14 1.93837 0.00005 0.00562 -0.00104 0.00458 1.94296 D15 1.01739 -0.00003 0.00116 -0.00196 -0.00080 1.01659 D16 -2.10845 0.00000 0.00616 -0.00146 0.00470 -2.10375 D17 3.00438 -0.00003 0.00094 -0.00138 -0.00044 3.00394 D18 -0.12145 0.00000 0.00594 -0.00089 0.00505 -0.11639 D19 0.11836 0.00004 0.01388 -0.00033 0.01355 0.13191 D20 -3.02755 -0.00003 0.01607 -0.00295 0.01312 -3.01442 D21 -3.10103 0.00004 0.00444 -0.00029 0.00415 -3.09688 D22 0.03836 0.00001 0.00367 -0.00036 0.00332 0.04167 D23 0.00383 0.00000 0.00140 -0.00083 0.00057 0.00440 D24 -3.14092 0.00001 -0.00004 0.00032 0.00028 -3.14064 D25 -3.13793 0.00002 -0.00091 0.00041 -0.00049 -3.13842 D26 0.00050 0.00003 -0.00234 0.00157 -0.00078 -0.00027 D27 -3.14036 -0.00001 0.00036 -0.00034 0.00002 -3.14034 D28 -0.00604 0.00001 -0.00136 0.00066 -0.00070 -0.00673 D29 0.00138 -0.00002 0.00239 -0.00144 0.00095 0.00233 D30 3.13570 -0.00001 0.00068 -0.00044 0.00024 3.13594 D31 -3.13980 0.00003 -0.00043 -0.00005 -0.00047 -3.14028 D32 0.00474 0.00002 0.00091 -0.00112 -0.00021 0.00453 D33 3.13684 -0.00004 0.00055 -0.00053 0.00002 3.13686 D34 0.00537 -0.00000 0.00104 -0.00039 0.00065 0.00602 D35 -0.00732 -0.00003 -0.00061 0.00040 -0.00020 -0.00752 D36 -3.13878 0.00000 -0.00013 0.00054 0.00042 -3.13836 D37 -0.00028 -0.00000 -0.00089 0.00146 0.00057 0.00029 D38 -3.12838 0.00010 -0.00137 0.00212 0.00075 -3.12763 D39 -3.13242 0.00002 0.00475 -0.00082 0.00394 -3.12848 D40 -0.00414 -0.00002 0.00054 -0.00124 -0.00070 -0.00484 D41 -0.00419 -0.00008 0.00523 -0.00147 0.00376 -0.00044 D42 3.12409 -0.00012 0.00102 -0.00190 -0.00088 3.12321 D43 3.13591 0.00000 -0.00386 0.00005 -0.00380 3.13210 D44 -0.01542 -0.00003 -0.00432 -0.00009 -0.00440 -0.01983 D45 0.00666 0.00003 0.00007 0.00043 0.00050 0.00716 D46 3.13852 -0.00001 -0.00039 0.00029 -0.00010 3.13842 D47 -0.01223 -0.00003 0.00074 -0.00120 -0.00046 -0.01269 D48 3.14128 0.00001 0.00131 -0.00104 0.00027 3.14155 D49 -3.13293 -0.00004 0.00152 -0.00146 0.00006 -3.13287 D50 0.01339 0.00004 -0.00089 0.00142 0.00053 0.01392 D51 3.13655 0.00006 -0.00296 0.00248 -0.00048 3.13607 D52 0.00228 0.00004 -0.00123 0.00146 0.00024 0.00252 D53 -0.00928 -0.00001 -0.00081 -0.00009 -0.00090 -0.01018 D54 3.13965 -0.00003 0.00093 -0.00111 -0.00018 3.13947 D55 -0.02330 0.00002 -0.00523 0.00191 -0.00335 -0.02665 D56 -3.03003 -0.00003 0.01154 -0.00200 0.00956 -3.02046 D57 3.12037 0.00005 -0.00451 0.00197 -0.00257 3.11780 D58 0.11364 -0.00000 0.01226 -0.00194 0.01034 0.12399 D59 2.81968 -0.00011 -0.00767 -0.00502 -0.01269 2.80698 D60 0.73028 -0.00013 -0.00720 -0.00526 -0.01246 0.71782 D61 -1.36936 -0.00012 -0.00748 -0.00513 -0.01261 -1.38197 D62 -0.45212 -0.00007 -0.02387 -0.00127 -0.02513 -0.47726 D63 -2.54152 -0.00009 -0.02340 -0.00151 -0.02490 -2.56642 D64 1.64203 -0.00008 -0.02368 -0.00138 -0.02505 1.61698 D65 -2.18360 -0.00005 -0.01159 -0.00130 -0.01288 -2.19648 D66 1.99995 -0.00006 -0.01108 -0.00154 -0.01261 1.98734 D67 -0.09257 -0.00007 -0.01117 -0.00178 -0.01294 -0.10550 D68 1.08953 -0.00010 0.00473 -0.00516 -0.00044 1.08908 D69 -1.01011 -0.00012 0.00524 -0.00540 -0.00017 -1.01028 D70 -3.10263 -0.00013 0.00515 -0.00564 -0.00050 -3.10312 Item Value Threshold Converged? Maximum Force 0.000523 0.000450 NO RMS Force 0.000107 0.000300 YES Maximum Displacement 0.062376 0.001800 NO RMS Displacement 0.011668 0.001200 NO Predicted change in Energy=-7.914662D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.199255 -4.819415 2.245144 2 6 0 7.180766 -4.999289 3.756992 3 8 0 7.423323 -5.998015 1.556726 4 7 0 7.668738 0.082250 0.334514 5 8 0 3.276219 -0.905924 -0.015202 6 6 0 4.330098 -1.339795 0.341948 7 6 0 4.669145 -2.613798 0.916931 8 7 0 3.878105 -3.700105 1.216478 9 6 0 4.686419 -4.547520 1.703610 10 7 0 5.995066 -4.127661 1.766558 11 6 0 5.970133 -2.868089 1.244978 12 7 0 7.043539 -2.056906 1.108814 13 6 0 6.754522 -0.907485 0.583974 14 7 0 5.493431 -0.558391 0.226820 15 1 0 8.004517 -4.160598 1.971922 16 1 0 8.109162 -5.463932 4.068482 17 1 0 7.089853 -4.036298 4.245884 18 6 0 8.906746 -0.210267 0.506007 19 35 0 4.157723 -6.251625 2.276165 20 1 0 5.371912 0.349894 -0.167829 21 1 0 6.356489 -5.623875 4.076786 22 1 0 6.784675 -6.654371 1.802743 23 7 0 9.879443 0.675789 0.345047 24 1 0 9.222418 -1.199294 0.794938 25 6 0 9.575734 2.034055 -0.072570 26 6 0 11.272864 0.282339 0.399912 27 1 0 10.414762 2.669384 0.176910 28 1 0 8.694378 2.387076 0.439262 29 1 0 9.399898 2.082944 -1.141850 30 1 0 11.806161 0.882990 1.127589 31 1 0 11.746835 0.409879 -0.567777 32 1 0 11.353672 -0.756944 0.686091 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522623 0.000000 3 O 1.383194 2.428469 0.000000 4 N 5.281784 6.146016 6.206742 0.000000 5 O 5.984545 6.799306 6.752689 4.515862 0.000000 6 C 4.895097 5.760272 5.722127 3.628883 1.194345 7 C 3.609757 4.479369 4.409961 4.074978 2.392896 8 N 3.652539 4.364591 4.238482 5.427059 3.112355 9 C 2.584865 3.262244 3.100992 5.674806 4.266638 10 N 1.468890 2.475368 2.362662 4.751345 4.576722 11 C 2.513711 3.509680 3.464878 3.524019 3.563049 12 N 2.991145 3.960971 3.984620 2.359323 4.096446 13 C 4.273227 5.195439 5.225613 1.370255 3.529533 14 N 5.013959 5.918681 5.923060 2.270238 2.257295 15 H 1.075703 2.137392 1.971364 4.560221 6.074402 16 H 2.137263 1.083900 2.657920 6.700494 7.798028 17 H 2.151325 1.083804 3.345311 5.709322 6.519194 18 C 5.213863 6.040086 6.066513 1.283604 5.697230 19 Br 3.362009 3.591654 3.353514 7.497680 5.882510 20 H 5.990274 6.876768 6.890452 2.366304 2.447918 21 H 2.170788 1.082501 2.762032 6.948846 6.963583 22 H 1.932527 2.591385 0.948261 6.951211 6.975588 23 N 6.402424 7.150575 7.213899 2.289020 6.799570 24 H 4.393355 5.232788 5.181196 2.065978 6.008300 25 C 7.615084 8.358788 8.473583 2.758966 6.952025 26 C 6.784325 7.477356 7.456542 3.610268 8.095099 27 H 8.408281 9.060037 9.272346 3.776075 7.986146 28 H 7.578265 8.237520 8.554183 2.524902 6.356636 29 H 7.997319 8.892762 8.745916 3.029742 6.906671 30 H 7.415519 7.931535 8.169556 4.288172 8.790113 31 H 7.479206 8.295282 8.016693 4.189552 8.589995 32 H 6.016103 6.696348 6.608666 3.795601 8.109208 6 7 8 9 10 6 C 0.000000 7 C 1.438278 0.000000 8 N 2.557375 1.376785 0.000000 9 C 3.502940 2.087689 1.268378 0.000000 10 N 3.545960 2.184425 2.228658 1.375791 0.000000 11 C 2.416788 1.365594 2.251587 2.163042 1.363521 12 N 2.909484 2.446364 3.568146 3.480367 2.412457 13 C 2.474530 2.714988 4.058640 4.333646 3.513518 14 N 1.406126 2.319569 3.668660 4.329588 3.919454 15 H 4.910713 3.824958 4.220193 3.351339 2.020186 16 H 6.721375 5.467106 5.398783 4.260000 3.399099 17 H 5.488906 4.354911 4.427826 3.535675 2.711819 18 C 4.716827 4.889078 6.162059 6.169050 5.041116 19 Br 5.281759 3.916995 2.776936 1.873849 2.854251 20 H 2.049463 3.233274 4.533240 5.287424 4.917182 21 H 6.033955 4.678928 4.245543 3.095099 2.776046 22 H 6.033539 4.646112 4.185636 2.975118 2.647462 23 N 5.904051 6.188347 7.478228 7.489736 6.338944 24 H 4.915256 4.769486 5.915525 5.710656 4.464883 25 C 6.250711 6.830539 8.185671 8.389121 7.360049 26 C 7.129985 7.229386 8.438549 8.270939 7.012202 27 H 7.288614 7.840393 9.185803 9.339616 8.261992 28 H 5.739858 6.437344 7.800918 8.108695 7.175639 29 H 6.294416 6.976961 8.336400 8.618386 7.656587 30 H 7.838975 7.950402 9.157878 8.972901 7.699593 31 H 7.674435 7.838411 9.054968 8.921013 7.689034 32 H 7.056114 6.941477 8.051560 7.736671 6.422134 11 12 13 14 15 11 C 0.000000 12 N 1.352317 0.000000 13 C 2.212727 1.296208 0.000000 14 N 2.568773 2.329441 1.356383 0.000000 15 H 2.517488 2.468594 3.751217 4.725127 0.000000 16 H 4.391585 4.637134 5.893900 6.757569 2.470869 17 H 3.409386 3.709628 4.828198 5.549529 2.454172 18 C 4.029119 2.691652 2.263683 3.442362 4.309065 19 Br 3.974480 5.223630 6.177921 6.196518 4.388938 20 H 3.565012 3.196380 2.014404 0.997746 5.643907 21 H 3.970234 4.690859 5.882389 6.420765 3.047561 22 H 3.912865 4.656741 5.874777 6.427427 2.781284 23 N 5.352724 4.011647 3.511264 4.557881 5.436240 24 H 3.683039 2.362527 2.494027 3.826076 3.411436 25 C 6.226340 4.954154 4.128311 4.845164 6.709873 26 C 6.225616 4.884854 4.676001 5.842828 5.735242 27 H 7.180467 5.879745 5.133912 5.885620 7.461904 28 H 5.973897 4.787749 3.825979 4.355108 6.759954 29 H 6.478655 5.268422 4.349615 4.910233 7.115088 30 H 6.938559 5.596955 5.387056 6.537547 6.372062 31 H 6.884871 5.569289 5.290101 6.377617 6.429951 32 H 5.809629 4.521708 4.602747 5.881563 4.945206 16 17 18 19 20 16 H 0.000000 17 H 1.763123 0.000000 18 C 6.397528 5.650335 0.000000 19 Br 4.409845 4.169515 7.885727 0.000000 20 H 7.696717 6.455297 3.641825 7.143348 0.000000 21 H 1.759976 1.756934 6.968603 2.910477 7.394056 22 H 2.881837 3.593936 6.907328 2.699483 7.412071 23 N 7.395541 6.723250 1.325572 9.190014 4.548306 24 H 5.490225 4.950298 1.077638 7.305561 4.260669 25 C 8.690164 7.853523 2.412318 10.174669 4.529635 26 C 7.515786 7.137206 2.419180 9.840642 5.928587 27 H 9.306500 8.519257 3.267232 11.096928 5.561404 28 H 8.669027 7.637054 2.606865 9.928877 3.944293 29 H 9.261149 8.474025 2.866609 10.422488 4.491865 30 H 7.912020 7.494445 3.160408 10.522383 6.584972 31 H 8.320409 8.039110 3.098983 10.490866 6.387739 32 H 6.642526 6.450305 2.513709 9.192472 6.142942 21 22 23 24 25 21 H 0.000000 22 H 2.533089 0.000000 23 N 8.125444 8.089110 0.000000 24 H 6.209750 6.059384 2.037159 0.000000 25 C 9.285719 9.316413 1.453110 3.366295 0.000000 26 C 8.519008 8.380318 1.448943 2.560393 2.484351 27 H 10.022811 10.136729 2.071053 4.095157 1.081596 28 H 9.103440 9.340974 2.083689 3.642441 1.078603 29 H 9.792423 9.583876 2.102596 3.815197 1.084744 30 H 8.985320 9.082013 2.089867 3.335009 2.782109 31 H 9.329200 8.952431 2.095498 3.289241 2.756240 32 H 7.756008 7.543361 2.083839 2.179395 3.395041 26 27 28 29 30 26 C 0.000000 27 H 2.546381 0.000000 28 H 3.328672 1.763022 0.000000 29 H 3.021128 1.764366 1.757888 0.000000 30 H 1.083836 2.455807 3.524097 3.518571 0.000000 31 H 1.085051 2.726599 3.773716 2.938847 1.761141 32 H 1.080989 3.588947 4.125243 3.901739 1.757569 31 32 31 H 0.000000 32 H 1.757338 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.268550 -1.943638 0.016352 2 6 0 -1.790372 -2.503897 1.332480 3 8 0 -1.912282 -2.462406 -1.092572 4 7 0 3.352297 0.614202 0.066020 5 8 0 0.208883 3.855629 -0.005418 6 6 0 0.363446 2.671388 0.006501 7 6 0 -0.600173 1.603663 -0.000232 8 7 0 -1.976234 1.639427 -0.026924 9 6 0 -2.318491 0.418128 -0.018482 10 7 0 -1.272269 -0.474757 0.012781 11 6 0 -0.158384 0.311638 0.018238 12 7 0 1.116376 -0.138654 0.049620 13 6 0 1.996637 0.812816 0.047738 14 7 0 1.659450 2.126537 0.033023 15 1 0 -0.230584 -2.202157 -0.097365 16 1 0 -1.718929 -3.585180 1.308788 17 1 0 -1.195183 -2.131631 2.158191 18 6 0 3.766857 -0.593617 -0.064185 19 35 0 -4.105936 -0.142170 -0.067660 20 1 0 2.409597 2.784393 0.034720 21 1 0 -2.823080 -2.228688 1.504473 22 1 0 -2.848967 -2.330314 -1.026444 23 7 0 5.051112 -0.917935 -0.012715 24 1 0 3.086363 -1.414419 -0.220762 25 6 0 6.062956 0.109766 0.164857 26 6 0 5.500394 -2.263014 -0.309944 27 1 0 6.973593 -0.356994 0.515178 28 1 0 5.728254 0.832711 0.891982 29 1 0 6.264701 0.623570 -0.768938 30 1 0 6.096791 -2.650932 0.507693 31 1 0 6.101355 -2.276898 -1.213265 32 1 0 4.649985 -2.914447 -0.454784 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5668610 0.1450369 0.1185080 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.7164616491 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.39D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 -0.000078 0.000064 0.000008 Ang= -0.01 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58111031 A.U. after 11 cycles NFock= 11 Conv=0.37D-08 -V/T= 2.0038 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 -0.000398554 0.000830325 0.000268791 2 6 0.000189054 -0.000104853 0.000033440 3 8 0.000329520 -0.000280388 -0.000209296 4 7 -0.000189710 -0.000056232 0.000054224 5 8 -0.000048216 -0.000084332 -0.000051949 6 6 0.000403190 0.000717900 0.000138520 7 6 -0.000314118 -0.000682523 0.000149367 8 7 -0.000166373 0.000594243 -0.000345490 9 6 0.000536259 -0.000241183 0.000384633 10 7 -0.000306040 -0.000735955 0.000122769 11 6 0.000268190 0.000509640 -0.000332318 12 7 0.000022300 -0.000114316 0.000135010 13 6 0.000297751 0.000093220 -0.000221893 14 7 -0.000600171 -0.000248676 -0.000074981 15 1 0.000027121 -0.000156453 -0.000017642 16 1 -0.000016111 -0.000015488 -0.000054160 17 1 -0.000035949 -0.000001738 0.000033434 18 6 0.000045669 -0.000077111 0.000227991 19 35 -0.000028230 0.000000151 -0.000110715 20 1 0.000051489 0.000019244 0.000000972 21 1 0.000036499 0.000022484 0.000003513 22 1 -0.000134371 -0.000072324 0.000056592 23 7 0.000044824 -0.000089710 -0.000371351 24 1 -0.000082687 -0.000000263 0.000003285 25 6 -0.000054557 0.000185828 0.000300170 26 6 0.000075897 -0.000025191 -0.000075604 27 1 0.000025347 0.000028038 0.000051971 28 1 -0.000034519 -0.000139061 -0.000090189 29 1 0.000135097 0.000034973 -0.000041163 30 1 -0.000003218 0.000086210 -0.000036760 31 1 -0.000004466 -0.000072775 -0.000038894 32 1 -0.000070916 0.000076315 0.000107726 ------------------------------------------------------------------- Cartesian Forces: Max 0.000830325 RMS 0.000244785 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000550893 RMS 0.000113543 Search for a local minimum. Step number 29 out of a maximum of 168 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 23 24 25 26 27 28 29 DE= -1.11D-05 DEPred=-7.91D-06 R= 1.41D+00 TightC=F SS= 1.41D+00 RLast= 6.02D-02 DXNew= 1.3363D+00 1.8059D-01 Trust test= 1.41D+00 RLast= 6.02D-02 DXMaxT set to 7.95D-01 ITU= 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 -1 -1 1 -1 1 ITU= 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00073 0.00205 0.00305 0.00667 0.01068 Eigenvalues --- 0.01637 0.01664 0.01702 0.01794 0.01892 Eigenvalues --- 0.02074 0.02202 0.02330 0.02573 0.02639 Eigenvalues --- 0.02677 0.03335 0.04129 0.04494 0.05496 Eigenvalues --- 0.05606 0.05787 0.05968 0.06563 0.07359 Eigenvalues --- 0.07626 0.07644 0.07841 0.07916 0.09062 Eigenvalues --- 0.15388 0.15639 0.15977 0.15999 0.16003 Eigenvalues --- 0.16013 0.16025 0.16035 0.16140 0.16416 Eigenvalues --- 0.16574 0.17255 0.18841 0.19881 0.21494 Eigenvalues --- 0.22268 0.23575 0.23636 0.24298 0.24744 Eigenvalues --- 0.24831 0.25008 0.25738 0.26105 0.27682 Eigenvalues --- 0.29227 0.30089 0.32472 0.33280 0.33674 Eigenvalues --- 0.33717 0.33746 0.33759 0.33776 0.33786 Eigenvalues --- 0.33890 0.33978 0.34625 0.35776 0.37197 Eigenvalues --- 0.38428 0.39668 0.40743 0.41213 0.42807 Eigenvalues --- 0.43757 0.44755 0.46963 0.48627 0.48865 Eigenvalues --- 0.49259 0.50829 0.52724 0.55772 0.57061 Eigenvalues --- 0.62412 0.70483 0.75300 0.79738 0.87649 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 29 28 27 26 25 24 23 22 21 20 RFO step: Lambda=-3.44349428D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.61105 0.25056 0.01910 -0.92691 -0.20114 RFO-DIIS coefs: 0.41539 -0.49574 0.38770 -0.02877 -0.03125 Iteration 1 RMS(Cart)= 0.02305883 RMS(Int)= 0.00020614 Iteration 2 RMS(Cart)= 0.00035130 RMS(Int)= 0.00003770 Iteration 3 RMS(Cart)= 0.00000011 RMS(Int)= 0.00003770 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87734 0.00003 -0.00036 0.00027 -0.00009 2.87725 R2 2.61386 0.00041 -0.00097 0.00129 0.00032 2.61418 R3 2.77580 -0.00007 0.00085 -0.00094 -0.00008 2.77572 R4 2.03278 -0.00007 0.00020 -0.00010 0.00009 2.03288 R5 2.04827 -0.00002 0.00013 -0.00006 0.00006 2.04833 R6 2.04809 0.00002 -0.00008 0.00002 -0.00006 2.04803 R7 2.04563 -0.00004 -0.00013 -0.00001 -0.00014 2.04549 R8 1.79195 0.00016 -0.00043 0.00039 -0.00004 1.79192 R9 2.58941 -0.00013 0.00143 -0.00107 0.00036 2.58977 R10 2.42566 0.00008 -0.00031 -0.00024 -0.00055 2.42511 R11 2.25698 0.00003 -0.00015 0.00006 -0.00009 2.25689 R12 2.71795 0.00032 -0.00119 0.00088 -0.00031 2.71764 R13 2.65719 -0.00041 0.00193 -0.00115 0.00078 2.65797 R14 2.60175 -0.00030 0.00077 -0.00042 0.00035 2.60209 R15 2.58060 0.00009 0.00022 -0.00006 0.00016 2.58076 R16 2.39689 0.00055 -0.00090 0.00061 -0.00030 2.39659 R17 2.59987 -0.00020 0.00099 -0.00023 0.00077 2.60063 R18 3.54106 -0.00003 -0.00052 0.00026 -0.00026 3.54080 R19 2.57668 0.00046 -0.00148 0.00078 -0.00069 2.57599 R20 2.55551 -0.00003 0.00034 -0.00001 0.00033 2.55584 R21 2.44948 0.00012 0.00011 -0.00027 -0.00016 2.44932 R22 2.56319 0.00021 -0.00018 0.00024 0.00007 2.56326 R23 1.88547 0.00001 -0.00007 0.00005 -0.00002 1.88545 R24 2.50497 0.00016 0.00096 0.00009 0.00105 2.50602 R25 2.03644 -0.00002 -0.00008 0.00020 0.00012 2.03656 R26 2.74598 0.00002 -0.00084 0.00015 -0.00069 2.74529 R27 2.73811 -0.00002 0.00025 -0.00003 0.00022 2.73833 R28 2.04392 0.00005 0.00024 0.00002 0.00026 2.04418 R29 2.03827 -0.00006 -0.00033 -0.00015 -0.00048 2.03779 R30 2.04987 0.00002 0.00055 -0.00002 0.00053 2.05040 R31 2.04815 0.00002 -0.00028 -0.00002 -0.00030 2.04786 R32 2.05045 0.00002 0.00037 0.00000 0.00037 2.05082 R33 2.04277 -0.00005 0.00016 -0.00012 0.00004 2.04281 A1 1.97739 -0.00019 0.00075 -0.00058 0.00018 1.97757 A2 1.94893 0.00030 -0.00081 0.00101 0.00020 1.94913 A3 1.91096 -0.00004 -0.00105 -0.00012 -0.00117 1.90979 A4 1.95187 -0.00003 0.00068 -0.00066 0.00002 1.95189 A5 1.84853 0.00000 -0.00024 0.00056 0.00033 1.84886 A6 1.81575 -0.00004 0.00062 -0.00019 0.00042 1.81617 A7 1.90243 -0.00008 -0.00023 -0.00034 -0.00057 1.90186 A8 1.92192 0.00006 -0.00135 0.00074 -0.00061 1.92131 A9 1.95060 0.00002 0.00131 -0.00032 0.00099 1.95159 A10 1.89981 0.00003 -0.00028 0.00008 -0.00020 1.89961 A11 1.89650 0.00001 -0.00032 0.00011 -0.00021 1.89629 A12 1.89181 -0.00003 0.00085 -0.00027 0.00057 1.89239 A13 1.93003 -0.00008 -0.00081 0.00053 -0.00028 1.92975 A14 2.04268 -0.00010 0.00220 -0.00246 -0.00026 2.04241 A15 2.27750 -0.00013 0.00065 -0.00047 0.00018 2.27769 A16 2.09864 0.00005 -0.00032 0.00031 -0.00001 2.09863 A17 1.90704 0.00008 -0.00034 0.00016 -0.00018 1.90686 A18 2.27895 0.00002 -0.00045 0.00019 -0.00026 2.27870 A19 2.07780 -0.00012 0.00085 -0.00021 0.00065 2.07845 A20 1.92643 0.00009 -0.00040 0.00001 -0.00039 1.92604 A21 1.81786 0.00004 -0.00038 0.00048 0.00010 1.81796 A22 2.00409 -0.00006 0.00057 -0.00056 0.00002 2.00410 A23 2.14734 -0.00007 0.00007 0.00016 0.00024 2.14758 A24 2.13167 0.00012 -0.00064 0.00039 -0.00025 2.13142 A25 2.27966 0.00030 -0.00073 0.00058 -0.00018 2.27948 A26 2.18298 -0.00028 0.00112 -0.00083 0.00026 2.18324 A27 1.82040 -0.00002 -0.00051 0.00027 -0.00027 1.82013 A28 1.85597 -0.00006 0.00073 -0.00021 0.00053 1.85650 A29 2.23994 0.00004 -0.00061 0.00005 -0.00056 2.23938 A30 2.18722 0.00001 -0.00013 0.00015 0.00002 2.18724 A31 1.97763 -0.00003 0.00041 -0.00034 0.00007 1.97770 A32 2.17178 -0.00002 -0.00093 -0.00006 -0.00099 2.17079 A33 1.96761 0.00003 0.00108 -0.00052 0.00057 1.96817 A34 2.14379 -0.00000 -0.00014 0.00056 0.00042 2.14421 A35 2.22009 0.00003 -0.00016 -0.00025 -0.00041 2.21968 A36 2.02362 0.00004 -0.00034 0.00053 0.00020 2.02382 A37 2.03945 -0.00006 0.00048 -0.00028 0.00021 2.03965 A38 2.14026 0.00004 0.00150 0.00004 0.00155 2.14181 A39 2.12644 -0.00010 0.00021 -0.00053 -0.00031 2.12613 A40 2.01648 0.00006 -0.00173 0.00049 -0.00124 2.01524 A41 2.10173 0.00008 0.00059 0.00056 0.00088 2.10261 A42 2.11714 0.00001 -0.00168 0.00021 -0.00173 2.11542 A43 2.05522 -0.00008 -0.00236 0.00004 -0.00257 2.05265 A44 1.89720 0.00000 0.00046 -0.00005 0.00041 1.89761 A45 1.91807 -0.00011 -0.00053 -0.00028 -0.00081 1.91726 A46 1.93832 0.00002 0.00018 0.00021 0.00039 1.93871 A47 1.90939 0.00008 -0.00068 0.00043 -0.00025 1.90914 A48 1.90355 -0.00003 0.00010 -0.00035 -0.00025 1.90330 A49 1.89712 0.00004 0.00046 0.00004 0.00050 1.89762 A50 1.92637 -0.00005 -0.00055 -0.00035 -0.00090 1.92547 A51 1.93306 0.00005 0.00003 0.00049 0.00052 1.93358 A52 1.92088 -0.00010 0.00106 -0.00046 0.00060 1.92148 A53 1.89515 0.00002 -0.00038 0.00012 -0.00027 1.89488 A54 1.89471 0.00004 0.00028 -0.00007 0.00021 1.89492 A55 1.89279 0.00005 -0.00045 0.00028 -0.00016 1.89262 D1 0.97162 -0.00008 -0.00142 0.00085 -0.00057 0.97105 D2 3.05458 -0.00006 -0.00271 0.00119 -0.00152 3.05306 D3 -1.12490 -0.00005 -0.00169 0.00113 -0.00056 -1.12546 D4 -3.08878 -0.00002 -0.00055 0.00032 -0.00023 -3.08901 D5 -1.00582 -0.00001 -0.00185 0.00066 -0.00119 -1.00700 D6 1.09789 0.00000 -0.00082 0.00060 -0.00022 1.09767 D7 -1.08740 0.00007 -0.00089 0.00059 -0.00030 -1.08770 D8 0.99556 0.00009 -0.00218 0.00093 -0.00126 0.99431 D9 3.09927 0.00009 -0.00116 0.00087 -0.00029 3.09898 D10 0.96926 0.00014 -0.00642 0.00188 -0.00454 0.96472 D11 -1.25198 -0.00009 -0.00651 0.00153 -0.00498 -1.25696 D12 3.06423 -0.00002 -0.00743 0.00176 -0.00567 3.05856 D13 -1.21989 0.00001 0.00002 -0.00114 -0.00113 -1.22102 D14 1.94296 0.00003 0.01222 -0.00235 0.00987 1.95283 D15 1.01659 -0.00002 0.00093 -0.00164 -0.00071 1.01588 D16 -2.10375 -0.00001 0.01314 -0.00284 0.01029 -2.09345 D17 3.00394 -0.00006 0.00129 -0.00138 -0.00009 3.00386 D18 -0.11639 -0.00004 0.01350 -0.00259 0.01091 -0.10548 D19 0.13191 0.00000 0.02911 -0.00275 0.02636 0.15827 D20 -3.01442 -0.00009 0.03275 -0.00652 0.02623 -2.98819 D21 -3.09688 0.00001 0.00918 -0.00118 0.00800 -3.08888 D22 0.04167 -0.00000 0.00656 -0.00014 0.00642 0.04810 D23 0.00440 -0.00003 0.00135 -0.00063 0.00073 0.00513 D24 -3.14064 -0.00002 -0.00051 0.00046 -0.00005 -3.14069 D25 -3.13842 0.00006 -0.00152 0.00083 -0.00069 -3.13911 D26 -0.00027 0.00007 -0.00339 0.00191 -0.00147 -0.00175 D27 -3.14034 0.00002 0.00071 -0.00038 0.00033 -3.14001 D28 -0.00673 0.00005 -0.00209 0.00093 -0.00116 -0.00789 D29 0.00233 -0.00006 0.00325 -0.00167 0.00158 0.00391 D30 3.13594 -0.00003 0.00045 -0.00035 0.00009 3.13603 D31 -3.14028 0.00005 -0.00197 0.00095 -0.00101 -3.14129 D32 0.00453 0.00005 -0.00023 -0.00006 -0.00029 0.00424 D33 3.13686 -0.00006 0.00115 -0.00118 -0.00003 3.13683 D34 0.00602 -0.00002 0.00195 -0.00058 0.00137 0.00739 D35 -0.00752 -0.00006 -0.00036 -0.00030 -0.00066 -0.00819 D36 -3.13836 -0.00001 0.00044 0.00030 0.00074 -3.13762 D37 0.00029 -0.00002 0.00077 0.00041 0.00118 0.00146 D38 -3.12763 0.00008 -0.00005 0.00126 0.00121 -3.12642 D39 -3.12848 -0.00000 0.00930 -0.00161 0.00768 -3.12080 D40 -0.00484 -0.00002 -0.00100 -0.00060 -0.00160 -0.00644 D41 -0.00044 -0.00010 0.01011 -0.00244 0.00766 0.00722 D42 3.12321 -0.00011 -0.00019 -0.00144 -0.00162 3.12158 D43 3.13210 0.00004 -0.00880 0.00146 -0.00735 3.12475 D44 -0.01983 -0.00000 -0.00957 0.00088 -0.00871 -0.02853 D45 0.00716 0.00004 0.00076 0.00051 0.00127 0.00843 D46 3.13842 0.00000 -0.00002 -0.00007 -0.00009 3.13833 D47 -0.01269 -0.00004 0.00044 -0.00137 -0.00093 -0.01362 D48 3.14155 0.00001 0.00137 -0.00066 0.00072 -3.14092 D49 -3.13287 -0.00005 0.00311 -0.00241 0.00070 -3.13217 D50 0.01392 0.00006 -0.00089 0.00173 0.00084 0.01476 D51 3.13607 0.00009 -0.00473 0.00348 -0.00125 3.13482 D52 0.00252 0.00006 -0.00191 0.00216 0.00025 0.00277 D53 -0.01018 -0.00001 -0.00116 -0.00021 -0.00138 -0.01155 D54 3.13947 -0.00004 0.00166 -0.00154 0.00012 3.13959 D55 -0.02665 0.00004 -0.01042 0.00363 -0.00683 -0.03347 D56 -3.02046 -0.00005 0.02169 -0.00292 0.01880 -3.00166 D57 3.11780 0.00005 -0.00796 0.00265 -0.00534 3.11246 D58 0.12399 -0.00004 0.02415 -0.00390 0.02029 0.14428 D59 2.80698 -0.00013 -0.01914 -0.00642 -0.02555 2.78143 D60 0.71782 -0.00016 -0.01827 -0.00675 -0.02502 0.69280 D61 -1.38197 -0.00015 -0.01861 -0.00675 -0.02535 -1.40732 D62 -0.47726 -0.00004 -0.05014 -0.00008 -0.05022 -0.52748 D63 -2.56642 -0.00007 -0.04927 -0.00041 -0.04969 -2.61611 D64 1.61698 -0.00006 -0.04961 -0.00041 -0.05003 1.56695 D65 -2.19648 -0.00002 -0.02394 -0.00013 -0.02403 -2.22051 D66 1.98734 -0.00004 -0.02312 -0.00036 -0.02344 1.96389 D67 -0.10550 -0.00007 -0.02327 -0.00073 -0.02396 -0.12947 D68 1.08908 -0.00012 0.00720 -0.00655 0.00061 1.08969 D69 -1.01028 -0.00014 0.00802 -0.00678 0.00119 -1.00908 D70 -3.10312 -0.00016 0.00787 -0.00715 0.00068 -3.10244 Item Value Threshold Converged? Maximum Force 0.000551 0.000450 NO RMS Force 0.000114 0.000300 YES Maximum Displacement 0.121240 0.001800 NO RMS Displacement 0.023066 0.001200 NO Predicted change in Energy=-6.703711D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.198960 -4.812929 2.258722 2 6 0 7.171223 -4.999597 3.769554 3 8 0 7.432633 -5.987518 1.566307 4 7 0 7.666912 0.087166 0.345405 5 8 0 3.280505 -0.918562 -0.042529 6 6 0 4.332707 -1.347220 0.325529 7 6 0 4.671519 -2.617667 0.908055 8 7 0 3.881787 -3.706201 1.203787 9 6 0 4.688715 -4.549214 1.700350 10 7 0 5.995376 -4.123796 1.774998 11 6 0 5.970387 -2.866568 1.248746 12 7 0 7.041795 -2.051189 1.120405 13 6 0 6.753159 -0.904645 0.589311 14 7 0 5.494156 -0.560981 0.219615 15 1 0 8.003707 -4.149566 1.994951 16 1 0 8.099491 -5.462233 4.084507 17 1 0 7.074500 -4.038780 4.261528 18 6 0 8.905596 -0.210208 0.500716 19 35 0 4.161924 -6.254261 2.271393 20 1 0 5.372967 0.345548 -0.179126 21 1 0 6.347553 -5.628488 4.082149 22 1 0 6.797517 -6.648788 1.808201 23 7 0 9.879813 0.677214 0.352386 24 1 0 9.221983 -1.205541 0.766519 25 6 0 9.578667 2.042993 -0.040589 26 6 0 11.271450 0.273538 0.365452 27 1 0 10.409018 2.676502 0.241068 28 1 0 8.685346 2.379784 0.460801 29 1 0 9.425160 2.115902 -1.112222 30 1 0 11.827047 0.861315 1.086693 31 1 0 11.721509 0.410934 -0.612470 32 1 0 11.352923 -0.769945 0.635791 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522573 0.000000 3 O 1.383365 2.428708 0.000000 4 N 5.281165 6.151883 6.200587 0.000000 5 O 5.984659 6.806212 6.747061 4.516918 0.000000 6 C 4.895282 5.767005 5.716768 3.629708 1.194296 7 C 3.609908 4.484450 4.406012 4.074933 2.392799 8 N 3.652585 4.367657 4.236076 5.427120 3.112197 9 C 2.585084 3.263020 3.100930 5.674642 4.266417 10 N 1.468846 2.475459 2.362777 4.750787 4.576839 11 C 2.513517 3.513730 3.461118 3.524027 3.563367 12 N 2.991267 3.965836 3.980738 2.358804 4.096653 13 C 4.273214 5.201669 5.220326 1.370447 3.529695 14 N 5.014317 5.925870 5.917649 2.270856 2.257617 15 H 1.075752 2.136539 1.971783 4.558984 6.074484 16 H 2.136830 1.083932 2.657434 6.705509 7.803845 17 H 2.150821 1.083773 3.345154 5.719302 6.531085 18 C 5.214234 6.052404 6.056601 1.283312 5.695483 19 Br 3.361724 3.588113 3.356462 7.497205 5.882246 20 H 5.990597 6.884503 6.884511 2.367293 2.448476 21 H 2.171386 1.082429 2.763288 6.955046 6.971596 22 H 1.932487 2.589671 0.948242 6.947569 6.973526 23 N 6.400216 7.158190 7.202843 2.290226 6.800980 24 H 4.396878 5.255349 5.168050 2.065593 6.003172 25 C 7.612720 8.361283 8.466208 2.762075 6.959717 26 C 6.785411 7.497048 7.441733 3.609409 8.089670 27 H 8.394461 9.047432 9.256369 3.772889 7.988781 28 H 7.561546 8.227738 8.532478 2.511298 6.351751 29 H 8.020470 8.918649 8.764137 3.054813 6.936065 30 H 7.415517 7.951398 8.151529 4.295992 8.802642 31 H 7.482376 8.317517 8.005106 4.178769 8.564050 32 H 6.019554 6.722874 6.592238 3.795476 8.102230 6 7 8 9 10 6 C 0.000000 7 C 1.438112 0.000000 8 N 2.557236 1.376967 0.000000 9 C 3.502805 2.087798 1.268219 0.000000 10 N 3.546097 2.184631 2.228885 1.376196 0.000000 11 C 2.417177 1.365679 2.251501 2.162852 1.363154 12 N 2.909736 2.446263 3.568147 3.480439 2.412299 13 C 2.474681 2.714640 4.058457 4.333500 3.513264 14 N 1.406540 2.319621 3.668887 4.329817 3.919705 15 H 4.910841 3.825119 4.220514 3.351967 2.020504 16 H 6.726954 5.471051 5.401040 4.260423 3.398904 17 H 5.500365 4.363447 4.433262 3.537252 2.711931 18 C 4.715379 4.887657 6.160757 6.168321 5.040768 19 Br 5.281535 3.917039 2.776846 1.873709 2.854267 20 H 2.049947 3.233363 4.533513 5.287658 4.917422 21 H 6.041610 4.684977 4.249725 3.096699 2.776882 22 H 6.031603 4.645435 4.186361 2.977732 2.649550 23 N 5.905035 6.188000 7.477668 7.488662 6.337379 24 H 4.911167 4.766640 5.912884 5.709878 4.465897 25 C 6.256811 6.833870 8.188782 8.390453 7.359730 26 C 7.125630 7.225827 8.434942 8.268815 7.011443 27 H 7.288281 7.835305 9.179895 9.330721 8.250893 28 H 5.731869 6.425369 7.788801 8.094477 7.159581 29 H 6.324035 7.006090 8.365988 8.646863 7.683313 30 H 7.849977 7.958443 9.165319 8.978095 7.702823 31 H 7.652800 7.822199 9.039405 8.911364 7.684555 32 H 7.050741 6.937533 8.047490 7.734845 6.422571 11 12 13 14 15 11 C 0.000000 12 N 1.352491 0.000000 13 C 2.212855 1.296122 0.000000 14 N 2.569365 2.329663 1.356418 0.000000 15 H 2.517399 2.468460 3.750894 4.725210 0.000000 16 H 4.394554 4.641104 5.899205 6.763685 2.469517 17 H 3.416139 3.717290 4.838517 5.561442 2.452156 18 C 4.028802 2.692021 2.263421 3.440927 4.308676 19 Br 3.974018 5.223434 6.177564 6.196618 4.389244 20 H 3.565588 3.196579 2.014550 0.997736 5.643887 21 H 3.974749 4.695846 5.888899 6.428614 3.047368 22 H 3.911819 4.655176 5.872209 6.425243 2.781345 23 N 5.352146 4.011032 3.512033 4.559028 5.432827 24 H 3.682992 2.365073 2.493397 3.822467 3.414751 25 C 6.227829 4.954386 4.131445 4.850940 6.706095 26 C 6.224287 4.885109 4.674738 5.839077 5.735614 27 H 7.172342 5.870475 5.129444 5.885374 7.446935 28 H 5.959536 4.771777 3.812786 4.346258 6.741711 29 H 6.506507 5.294308 4.377043 4.938855 7.136606 30 H 6.944339 5.602004 5.395400 6.548303 6.368029 31 H 6.876158 5.564587 5.278213 6.357430 6.435749 32 H 5.808893 4.523522 4.601970 5.877246 4.948374 16 17 18 19 20 16 H 0.000000 17 H 1.762998 0.000000 18 C 6.409144 5.670501 0.000000 19 Br 4.406714 4.165585 7.884688 0.000000 20 H 7.703430 6.468150 3.640126 7.143470 0.000000 21 H 1.759810 1.757214 6.980544 2.906442 7.402526 22 H 2.878302 3.592726 6.899915 2.704912 7.409424 23 N 7.402100 6.737342 1.326129 9.188155 4.550183 24 H 5.512573 4.985380 1.077701 7.304685 4.256177 25 C 8.690961 7.859200 2.413079 10.175009 4.537447 26 C 7.536031 7.168674 2.418589 9.838198 5.924007 27 H 9.292199 8.507534 3.265087 11.086341 5.565224 28 H 8.658620 7.631403 2.599646 9.913946 3.939476 29 H 9.283939 8.501935 2.877899 10.450366 4.519412 30 H 7.928986 7.528427 3.166451 10.525638 6.597232 31 H 8.347138 8.071587 3.091015 10.482788 6.363651 32 H 6.670535 6.491237 2.514152 9.190397 6.137450 21 22 23 24 25 21 H 0.000000 22 H 2.532651 0.000000 23 N 8.133257 8.080239 0.000000 24 H 6.230426 6.049139 2.036913 0.000000 25 C 9.289170 9.311277 1.452746 3.366247 0.000000 26 C 8.537711 8.367569 1.449061 2.559071 2.482207 27 H 10.011107 10.122247 2.071136 4.093337 1.081734 28 H 9.094606 9.321722 2.082606 3.638131 1.078352 29 H 9.819813 9.604852 2.102762 3.821378 1.085025 30 H 9.006395 9.067436 2.089216 3.340773 2.778911 31 H 9.348448 8.941199 2.096115 3.280585 2.753623 32 H 7.780524 7.529082 2.084380 2.178931 3.393831 26 27 28 29 30 26 C 0.000000 27 H 2.556070 0.000000 28 H 3.336659 1.762774 0.000000 29 H 2.997768 1.764552 1.758226 0.000000 30 H 1.083678 2.453731 3.545106 3.489740 0.000000 31 H 1.085248 2.753898 3.774463 2.903427 1.761004 32 H 1.081008 3.595102 4.131269 3.885863 1.757588 31 32 31 H 0.000000 32 H 1.757409 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.268211 -1.943409 0.026438 2 6 0 -1.800044 -2.503300 1.338651 3 8 0 -1.903016 -2.462820 -1.087535 4 7 0 3.352075 0.614079 0.080364 5 8 0 0.208491 3.856006 -0.021323 6 6 0 0.363211 2.671943 -0.001322 7 6 0 -0.599915 1.603977 -0.003086 8 7 0 -1.976086 1.639422 -0.033680 9 6 0 -2.318323 0.418344 -0.018804 10 7 0 -1.271930 -0.474574 0.022116 11 6 0 -0.158531 0.311890 0.024712 12 7 0 1.116405 -0.137880 0.063125 13 6 0 1.996436 0.813669 0.057319 14 7 0 1.659589 2.127379 0.033398 15 1 0 -0.229351 -2.202412 -0.078101 16 1 0 -1.728296 -3.584600 1.315180 17 1 0 -1.210142 -2.131343 2.168245 18 6 0 3.766637 -0.590978 -0.070847 19 35 0 -4.105297 -0.142690 -0.071271 20 1 0 2.409745 2.785211 0.032622 21 1 0 -2.833927 -2.228507 1.503655 22 1 0 -2.840569 -2.334501 -1.026768 23 7 0 5.049655 -0.920636 -0.009118 24 1 0 3.086830 -1.407005 -0.253611 25 6 0 6.063302 0.099497 0.196596 26 6 0 5.499439 -2.254532 -0.352913 27 1 0 6.959797 -0.373055 0.574931 28 1 0 5.712100 0.825606 0.912323 29 1 0 6.296962 0.610266 -0.731734 30 1 0 6.099735 -2.667673 0.449158 31 1 0 6.097102 -2.237953 -1.258610 32 1 0 4.649649 -2.902522 -0.515835 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5666086 0.1450348 0.1185442 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.6788065606 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.40D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 1.000000 -0.000168 0.000148 0.000021 Ang= -0.03 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58111611 A.U. after 11 cycles NFock= 11 Conv=0.82D-08 -V/T= 2.0038 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 -0.000372662 0.000812550 0.000422248 2 6 0.000339099 -0.000117994 0.000048649 3 8 0.000308930 -0.000164469 -0.000140467 4 7 -0.000370349 -0.000106526 0.000059506 5 8 -0.000038990 -0.000121725 -0.000150305 6 6 0.000592491 0.001078066 0.000405082 7 6 -0.000315384 -0.001027001 0.000222652 8 7 -0.000177815 0.000736849 -0.000490330 9 6 0.000849535 -0.000272839 0.000525936 10 7 -0.000545925 -0.001090871 -0.000090706 11 6 0.000303983 0.001046468 -0.000389537 12 7 -0.000039307 -0.000219063 0.000122326 13 6 0.000434538 0.000107661 -0.000431780 14 7 -0.000704000 -0.000449974 -0.000054102 15 1 -0.000048179 -0.000172005 -0.000130048 16 1 -0.000022948 0.000000395 -0.000034341 17 1 -0.000084486 -0.000018726 0.000082188 18 6 0.000158590 -0.000035609 0.000520313 19 35 -0.000052263 -0.000047267 -0.000115101 20 1 0.000034513 0.000028542 0.000007689 21 1 0.000000994 0.000059162 -0.000017047 22 1 -0.000195720 -0.000088192 0.000031972 23 7 -0.000006817 -0.000325635 -0.000840758 24 1 -0.000124940 -0.000000279 -0.000011549 25 6 -0.000068255 0.000324165 0.000429811 26 6 0.000048071 0.000053282 -0.000067839 27 1 0.000065270 0.000022817 0.000022928 28 1 -0.000031013 -0.000171389 -0.000088790 29 1 0.000177200 0.000020904 -0.000009690 30 1 0.000018605 0.000100122 0.000010843 31 1 -0.000030418 -0.000057057 -0.000019346 32 1 -0.000102345 0.000095640 0.000169594 ------------------------------------------------------------------- Cartesian Forces: Max 0.001090871 RMS 0.000352129 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000694807 RMS 0.000153309 Search for a local minimum. Step number 30 out of a maximum of 168 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 24 25 26 27 28 29 30 DE= -5.80D-06 DEPred=-6.70D-06 R= 8.65D-01 TightC=F SS= 1.41D+00 RLast= 1.19D-01 DXNew= 1.3363D+00 3.5698D-01 Trust test= 8.65D-01 RLast= 1.19D-01 DXMaxT set to 7.95D-01 ITU= 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 -1 -1 1 -1 ITU= 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00101 0.00205 0.00305 0.00655 0.01070 Eigenvalues --- 0.01510 0.01664 0.01703 0.01764 0.01889 Eigenvalues --- 0.01966 0.02132 0.02333 0.02564 0.02604 Eigenvalues --- 0.02648 0.03339 0.04185 0.04420 0.05494 Eigenvalues --- 0.05609 0.05795 0.05979 0.06578 0.07241 Eigenvalues --- 0.07624 0.07643 0.07827 0.07858 0.09069 Eigenvalues --- 0.15367 0.15619 0.15980 0.15996 0.16003 Eigenvalues --- 0.16019 0.16025 0.16034 0.16135 0.16381 Eigenvalues --- 0.16517 0.17148 0.18844 0.19670 0.21469 Eigenvalues --- 0.22254 0.23551 0.23600 0.24251 0.24662 Eigenvalues --- 0.24810 0.25018 0.25527 0.25848 0.27676 Eigenvalues --- 0.29229 0.30159 0.32462 0.32974 0.33671 Eigenvalues --- 0.33719 0.33746 0.33758 0.33763 0.33786 Eigenvalues --- 0.33864 0.33956 0.34590 0.35101 0.37151 Eigenvalues --- 0.38408 0.39408 0.40744 0.41227 0.42213 Eigenvalues --- 0.43682 0.44539 0.47033 0.48630 0.48919 Eigenvalues --- 0.49263 0.50826 0.52472 0.54968 0.56508 Eigenvalues --- 0.61916 0.70044 0.72420 0.79752 0.87630 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 30 29 28 27 26 25 24 23 22 21 RFO step: Lambda=-2.84825988D-05. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. RFO-DIIS uses 6 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.15340 0.00000 -0.14824 0.26316 -0.63764 RFO-DIIS coefs: 0.55981 -0.19049 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00595596 RMS(Int)= 0.00004118 Iteration 2 RMS(Cart)= 0.00004308 RMS(Int)= 0.00000280 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000280 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87725 0.00008 -0.00006 0.00009 0.00004 2.87728 R2 2.61418 0.00029 0.00032 0.00072 0.00104 2.61522 R3 2.77572 -0.00012 -0.00027 -0.00062 -0.00089 2.77482 R4 2.03288 -0.00011 -0.00001 -0.00016 -0.00017 2.03271 R5 2.04833 -0.00003 0.00001 -0.00009 -0.00008 2.04825 R6 2.04803 0.00003 -0.00001 0.00007 0.00006 2.04810 R7 2.04549 -0.00004 -0.00004 0.00005 0.00001 2.04551 R8 1.79192 0.00020 0.00006 0.00020 0.00025 1.79217 R9 2.58977 -0.00027 0.00008 -0.00005 0.00003 2.58980 R10 2.42511 0.00011 -0.00008 0.00027 0.00019 2.42530 R11 2.25689 0.00004 -0.00002 0.00005 0.00003 2.25692 R12 2.71764 0.00039 0.00012 0.00063 0.00076 2.71840 R13 2.65797 -0.00065 -0.00001 -0.00090 -0.00091 2.65707 R14 2.60209 -0.00038 -0.00006 -0.00068 -0.00074 2.60135 R15 2.58076 -0.00003 0.00008 -0.00002 0.00006 2.58082 R16 2.39659 0.00067 0.00007 0.00053 0.00060 2.39719 R17 2.60063 -0.00043 0.00013 -0.00065 -0.00052 2.60012 R18 3.54080 0.00002 -0.00015 -0.00031 -0.00047 3.54033 R19 2.57599 0.00069 -0.00002 0.00076 0.00074 2.57673 R20 2.55584 -0.00013 0.00011 -0.00015 -0.00004 2.55580 R21 2.44932 0.00011 -0.00002 0.00010 0.00008 2.44940 R22 2.56326 0.00013 0.00016 0.00047 0.00063 2.56388 R23 1.88545 0.00002 -0.00000 0.00001 0.00001 1.88546 R24 2.50602 0.00014 0.00033 -0.00014 0.00019 2.50621 R25 2.03656 -0.00004 0.00002 -0.00011 -0.00009 2.03647 R26 2.74529 0.00006 -0.00014 0.00010 -0.00004 2.74525 R27 2.73833 -0.00012 0.00010 -0.00015 -0.00005 2.73828 R28 2.04418 0.00007 0.00006 0.00009 0.00015 2.04433 R29 2.03779 -0.00007 -0.00011 -0.00010 -0.00021 2.03758 R30 2.05040 -0.00001 0.00012 0.00000 0.00012 2.05052 R31 2.04786 0.00007 -0.00010 0.00013 0.00003 2.04788 R32 2.05082 -0.00000 0.00012 -0.00003 0.00009 2.05091 R33 2.04281 -0.00006 -0.00003 -0.00007 -0.00010 2.04271 A1 1.97757 -0.00018 -0.00037 -0.00077 -0.00114 1.97643 A2 1.94913 0.00038 0.00047 0.00101 0.00147 1.95061 A3 1.90979 -0.00001 -0.00033 0.00056 0.00024 1.91003 A4 1.95189 -0.00011 0.00003 0.00008 0.00011 1.95200 A5 1.84886 0.00001 -0.00032 -0.00081 -0.00114 1.84772 A6 1.81617 -0.00010 0.00054 -0.00009 0.00046 1.81663 A7 1.90186 -0.00004 -0.00035 -0.00030 -0.00066 1.90121 A8 1.92131 0.00013 -0.00013 0.00070 0.00056 1.92187 A9 1.95159 -0.00004 0.00034 -0.00039 -0.00005 1.95154 A10 1.89961 -0.00000 0.00004 0.00034 0.00037 1.89998 A11 1.89629 0.00003 -0.00011 -0.00001 -0.00012 1.89617 A12 1.89239 -0.00007 0.00021 -0.00032 -0.00011 1.89228 A13 1.92975 -0.00009 -0.00048 -0.00043 -0.00091 1.92884 A14 2.04241 -0.00012 -0.00009 0.00047 0.00038 2.04279 A15 2.27769 -0.00015 -0.00010 -0.00054 -0.00064 2.27705 A16 2.09863 0.00004 0.00010 0.00033 0.00043 2.09906 A17 1.90686 0.00011 0.00000 0.00021 0.00021 1.90708 A18 2.27870 0.00005 -0.00005 0.00005 -0.00000 2.27869 A19 2.07845 -0.00023 0.00012 -0.00062 -0.00051 2.07794 A20 1.92604 0.00017 -0.00006 0.00058 0.00051 1.92655 A21 1.81796 0.00005 0.00005 -0.00021 -0.00017 1.81780 A22 2.00410 -0.00011 -0.00000 0.00006 0.00006 2.00416 A23 2.14758 -0.00007 0.00014 -0.00019 -0.00005 2.14753 A24 2.13142 0.00018 -0.00013 0.00011 -0.00002 2.13139 A25 2.27948 0.00027 0.00013 0.00068 0.00079 2.28028 A26 2.18324 -0.00033 -0.00007 -0.00074 -0.00083 2.18241 A27 1.82013 0.00005 -0.00009 0.00015 0.00006 1.82019 A28 1.85650 -0.00017 0.00011 -0.00058 -0.00047 1.85603 A29 2.23938 0.00015 -0.00016 0.00053 0.00037 2.23974 A30 2.18724 0.00002 0.00005 0.00004 0.00009 2.18733 A31 1.97770 -0.00008 0.00004 -0.00011 -0.00007 1.97764 A32 2.17079 0.00006 -0.00021 0.00034 0.00012 2.17091 A33 1.96817 -0.00003 0.00012 -0.00004 0.00008 1.96825 A34 2.14421 -0.00003 0.00011 -0.00032 -0.00021 2.14400 A35 2.21968 0.00008 -0.00011 0.00030 0.00019 2.21987 A36 2.02382 -0.00000 0.00022 0.00008 0.00030 2.02412 A37 2.03965 -0.00008 -0.00011 -0.00037 -0.00048 2.03918 A38 2.14181 0.00003 0.00033 -0.00006 0.00027 2.14208 A39 2.12613 -0.00014 -0.00015 -0.00027 -0.00041 2.12572 A40 2.01524 0.00011 -0.00019 0.00031 0.00012 2.01536 A41 2.10261 0.00017 0.00002 0.00084 0.00085 2.10346 A42 2.11542 0.00003 -0.00040 0.00066 0.00025 2.11566 A43 2.05265 -0.00018 -0.00035 0.00001 -0.00035 2.05230 A44 1.89761 -0.00001 0.00008 -0.00004 0.00004 1.89765 A45 1.91726 -0.00014 -0.00025 -0.00028 -0.00053 1.91673 A46 1.93871 -0.00000 0.00015 -0.00015 0.00000 1.93871 A47 1.90914 0.00012 0.00002 0.00059 0.00062 1.90976 A48 1.90330 -0.00004 -0.00007 -0.00036 -0.00043 1.90287 A49 1.89762 0.00008 0.00006 0.00025 0.00031 1.89793 A50 1.92547 -0.00004 -0.00041 -0.00004 -0.00045 1.92502 A51 1.93358 0.00004 0.00035 -0.00012 0.00023 1.93382 A52 1.92148 -0.00016 -0.00000 -0.00029 -0.00030 1.92119 A53 1.89488 0.00003 -0.00003 0.00011 0.00007 1.89496 A54 1.89492 0.00003 0.00007 -0.00002 0.00005 1.89497 A55 1.89262 0.00010 0.00003 0.00038 0.00041 1.89304 D1 0.97105 -0.00006 -0.00054 -0.00044 -0.00098 0.97007 D2 3.05306 -0.00001 -0.00079 0.00021 -0.00058 3.05247 D3 -1.12546 -0.00004 -0.00039 0.00002 -0.00037 -1.12582 D4 -3.08901 -0.00004 -0.00041 -0.00012 -0.00053 -3.08954 D5 -1.00700 0.00001 -0.00067 0.00053 -0.00014 -1.00714 D6 1.09767 -0.00003 -0.00026 0.00034 0.00008 1.09775 D7 -1.08770 0.00005 0.00032 0.00069 0.00101 -1.08669 D8 0.99431 0.00010 0.00007 0.00134 0.00140 0.99571 D9 3.09898 0.00007 0.00047 0.00115 0.00162 3.10060 D10 0.96472 0.00016 0.00053 0.00524 0.00577 0.97049 D11 -1.25696 -0.00011 0.00017 0.00443 0.00461 -1.25235 D12 3.05856 0.00006 -0.00030 0.00495 0.00465 3.06321 D13 -1.22102 0.00001 0.00104 0.00242 0.00346 -1.21756 D14 1.95283 -0.00002 0.00445 -0.00208 0.00236 1.95519 D15 1.01588 -0.00001 0.00094 0.00227 0.00321 1.01909 D16 -2.09345 -0.00004 0.00435 -0.00224 0.00212 -2.09134 D17 3.00386 -0.00011 0.00088 0.00131 0.00218 3.00604 D18 -0.10548 -0.00014 0.00428 -0.00320 0.00109 -0.10440 D19 0.15827 -0.00006 0.00538 -0.00697 -0.00160 0.15667 D20 -2.98819 -0.00024 0.00800 -0.01088 -0.00288 -2.99107 D21 -3.08888 -0.00006 0.00021 0.00177 0.00198 -3.08690 D22 0.04810 -0.00004 0.00296 -0.00393 -0.00096 0.04714 D23 0.00513 -0.00008 -0.00119 -0.00028 -0.00148 0.00365 D24 -3.14069 -0.00006 -0.00124 0.00057 -0.00067 -3.14136 D25 -3.13911 0.00011 0.00036 0.00134 0.00170 -3.13742 D26 -0.00175 0.00013 0.00031 0.00219 0.00250 0.00076 D27 -3.14001 0.00007 0.00021 -0.00050 -0.00029 -3.14030 D28 -0.00789 0.00012 0.00034 0.00114 0.00148 -0.00641 D29 0.00391 -0.00010 -0.00116 -0.00192 -0.00308 0.00083 D30 3.13603 -0.00005 -0.00103 -0.00028 -0.00131 3.13472 D31 -3.14129 0.00010 -0.00058 0.00212 0.00154 -3.13975 D32 0.00424 0.00008 -0.00054 0.00132 0.00079 0.00503 D33 3.13683 -0.00010 -0.00008 -0.00166 -0.00174 3.13509 D34 0.00739 -0.00006 0.00031 -0.00084 -0.00052 0.00687 D35 -0.00819 -0.00009 -0.00011 -0.00097 -0.00108 -0.00927 D36 -3.13762 -0.00004 0.00028 -0.00015 0.00013 -3.13749 D37 0.00146 -0.00004 0.00102 -0.00120 -0.00018 0.00128 D38 -3.12642 0.00007 0.00089 0.00041 0.00130 -3.12512 D39 -3.12080 -0.00003 0.00177 -0.00315 -0.00138 -3.12218 D40 -0.00644 -0.00001 -0.00111 0.00064 -0.00047 -0.00691 D41 0.00722 -0.00014 0.00190 -0.00475 -0.00285 0.00437 D42 3.12158 -0.00012 -0.00098 -0.00096 -0.00194 3.11964 D43 3.12475 0.00009 -0.00200 0.00378 0.00178 3.12653 D44 -0.02853 0.00005 -0.00238 0.00300 0.00062 -0.02791 D45 0.00843 0.00006 0.00067 0.00024 0.00091 0.00934 D46 3.13833 0.00002 0.00029 -0.00054 -0.00026 3.13807 D47 -0.01362 -0.00006 -0.00018 -0.00122 -0.00140 -0.01502 D48 -3.14092 -0.00001 0.00028 -0.00025 0.00003 -3.14089 D49 -3.13217 -0.00010 0.00224 -0.00267 -0.00042 -3.13259 D50 0.01476 0.00009 -0.00064 0.00162 0.00098 0.01574 D51 3.13482 0.00016 -0.00114 0.00381 0.00267 3.13749 D52 0.00277 0.00011 -0.00127 0.00216 0.00088 0.00366 D53 -0.01155 -0.00001 0.00143 -0.00002 0.00141 -0.01014 D54 3.13959 -0.00006 0.00130 -0.00168 -0.00038 3.13921 D55 -0.03347 0.00007 0.00067 0.00034 0.00101 -0.03247 D56 -3.00166 -0.00010 0.00588 -0.01007 -0.00420 -3.00586 D57 3.11246 0.00006 -0.00193 0.00570 0.00378 3.11624 D58 0.14428 -0.00011 0.00328 -0.00471 -0.00143 0.14285 D59 2.78143 -0.00015 -0.00490 -0.01203 -0.01692 2.76451 D60 0.69280 -0.00021 -0.00482 -0.01256 -0.01738 0.67542 D61 -1.40732 -0.00021 -0.00483 -0.01259 -0.01742 -1.42475 D62 -0.52748 0.00003 -0.00992 -0.00193 -0.01185 -0.53933 D63 -2.61611 -0.00003 -0.00985 -0.00246 -0.01231 -2.62842 D64 1.56695 -0.00003 -0.00986 -0.00249 -0.01235 1.55460 D65 -2.22051 0.00004 -0.00813 0.00143 -0.00670 -2.22721 D66 1.96389 0.00000 -0.00805 0.00140 -0.00665 1.95725 D67 -0.12947 -0.00005 -0.00830 0.00119 -0.00712 -0.13658 D68 1.08969 -0.00016 -0.00311 -0.00876 -0.01187 1.07782 D69 -1.00908 -0.00019 -0.00303 -0.00879 -0.01182 -1.02090 D70 -3.10244 -0.00024 -0.00329 -0.00901 -0.01229 -3.11473 Item Value Threshold Converged? Maximum Force 0.000695 0.000450 NO RMS Force 0.000153 0.000300 YES Maximum Displacement 0.034715 0.001800 NO RMS Displacement 0.005955 0.001200 NO Predicted change in Energy=-1.413921D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.198410 -4.812106 2.258582 2 6 0 7.172636 -5.001395 3.769142 3 8 0 7.433433 -5.986386 1.565002 4 7 0 7.666867 0.085509 0.340714 5 8 0 3.278475 -0.916631 -0.036457 6 6 0 4.331303 -1.345565 0.329527 7 6 0 4.670336 -2.617132 0.910469 8 7 0 3.880393 -3.704660 1.207506 9 6 0 4.687731 -4.548283 1.703178 10 7 0 5.994578 -4.123928 1.775548 11 6 0 5.969879 -2.866734 1.248184 12 7 0 7.041652 -2.052184 1.117855 13 6 0 6.753018 -0.905846 0.586211 14 7 0 5.493164 -0.561447 0.218889 15 1 0 8.002890 -4.148626 1.994661 16 1 0 8.101782 -5.463936 4.081482 17 1 0 7.075471 -4.041777 4.263435 18 6 0 8.905733 -0.211205 0.496676 19 35 0 4.161057 -6.253345 2.273473 20 1 0 5.372237 0.344982 -0.180174 21 1 0 6.350109 -5.631885 4.081551 22 1 0 6.796041 -6.646746 1.803900 23 7 0 9.879844 0.676596 0.349038 24 1 0 9.221930 -1.205830 0.765141 25 6 0 9.579618 2.042913 -0.042685 26 6 0 11.271810 0.274390 0.367998 27 1 0 10.402854 2.678477 0.255079 28 1 0 8.676825 2.373258 0.445616 29 1 0 9.443530 2.120123 -1.116433 30 1 0 11.825357 0.869687 1.084657 31 1 0 11.723486 0.403001 -0.610426 32 1 0 11.353551 -0.766289 0.648660 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522592 0.000000 3 O 1.383915 2.428261 0.000000 4 N 5.280558 6.154265 6.198490 0.000000 5 O 5.983963 6.806789 6.747648 4.517137 0.000000 6 C 4.894738 5.767947 5.717239 3.629612 1.194310 7 C 3.609221 4.485334 4.406244 4.075302 2.392833 8 N 3.652456 4.368336 4.237708 5.427163 3.111729 9 C 2.584876 3.263169 3.102597 5.674821 4.266290 10 N 1.468374 2.476325 2.362918 4.751280 4.576825 11 C 2.512899 3.515484 3.460432 3.524061 3.563266 12 N 2.990485 3.967913 3.978866 2.358934 4.096757 13 C 4.272477 5.203907 5.218513 1.370465 3.529912 14 N 5.013612 5.927737 5.916639 2.271206 2.257478 15 H 1.075662 2.136661 1.971357 4.558108 6.073824 16 H 2.136335 1.083888 2.655619 6.706626 7.803826 17 H 2.151269 1.083806 3.345322 5.724681 6.532441 18 C 5.214169 6.054634 6.054891 1.283414 5.696306 19 Br 3.361980 3.588037 3.358816 7.497155 5.881772 20 H 5.989824 6.886384 6.883341 2.367272 2.448706 21 H 2.171375 1.082435 2.762658 6.958182 6.973274 22 H 1.932496 2.590594 0.948376 6.944242 6.970968 23 N 6.400179 7.160005 7.201307 2.290572 6.801842 24 H 4.396615 5.256420 5.166451 2.065409 6.004236 25 C 7.612967 8.363365 8.465247 2.763520 6.961563 26 C 6.785229 7.496994 7.440650 3.609991 8.091695 27 H 8.389954 9.042311 9.252741 3.770470 7.985398 28 H 7.556587 8.227632 8.525414 2.502962 6.340186 29 H 8.030385 8.929828 8.771890 3.069114 6.956733 30 H 7.420883 7.957631 8.156314 4.296676 8.803240 31 H 7.476955 8.312542 7.997581 4.178711 8.566743 32 H 6.018778 6.719642 6.592149 3.796318 8.105483 6 7 8 9 10 6 C 0.000000 7 C 1.438513 0.000000 8 N 2.557244 1.376575 0.000000 9 C 3.503050 2.087590 1.268536 0.000000 10 N 3.546373 2.184585 2.228954 1.375923 0.000000 11 C 2.417192 1.365711 2.251606 2.162991 1.363547 12 N 2.909770 2.446490 3.568231 3.480526 2.412685 13 C 2.474659 2.714997 4.058490 4.333633 3.513660 14 N 1.406059 2.319735 3.668540 4.329746 3.919933 15 H 4.910232 3.824508 4.220391 3.351861 2.020381 16 H 6.727158 5.471237 5.401381 4.260340 3.399009 17 H 5.502331 4.365394 4.434058 3.537339 2.713791 18 C 4.715943 4.888589 6.161457 6.169071 5.041800 19 Br 5.281498 3.916528 2.776842 1.873462 2.853795 20 H 2.049704 3.233618 4.533305 5.287684 4.917653 21 H 6.043658 4.686804 4.251333 3.097476 2.778127 22 H 6.029198 4.642696 4.184801 2.976351 2.647217 23 N 5.905575 6.188927 7.478354 7.489399 6.338395 24 H 4.911976 4.767589 5.913701 5.710593 4.466769 25 C 6.258206 6.835611 8.190162 8.391810 7.361278 26 C 7.127157 7.227354 8.436271 8.269884 7.012530 27 H 7.284379 7.831652 9.175732 9.326612 8.247269 28 H 5.720724 6.416544 7.779931 8.087155 7.153782 29 H 6.343237 7.023767 8.383155 8.662302 7.697207 30 H 7.851013 7.961318 9.168544 8.982354 7.707886 31 H 7.654107 7.821844 9.038355 8.908974 7.681559 32 H 7.053324 6.939707 8.049499 7.736191 6.423567 11 12 13 14 15 11 C 0.000000 12 N 1.352470 0.000000 13 C 2.212825 1.296165 0.000000 14 N 2.569252 2.329860 1.356749 0.000000 15 H 2.516666 2.467355 3.749872 4.724399 0.000000 16 H 4.395229 4.641876 5.900192 6.764533 2.468732 17 H 3.419765 3.722137 4.843554 5.565496 2.453336 18 C 4.029372 2.692557 2.263786 3.441724 4.308407 19 Br 3.973939 5.223317 6.177448 6.196251 4.389449 20 H 3.565459 3.196596 2.014565 0.997741 5.642939 21 H 3.977261 4.698509 5.891959 6.431473 3.047433 22 H 3.908945 4.651987 5.868777 6.421885 2.780913 23 N 5.352707 4.011565 3.512466 4.559896 5.432660 24 H 3.683445 2.365234 2.493498 3.823260 3.414356 25 C 6.229061 4.955597 4.132840 4.852857 6.706118 26 C 6.225099 4.885639 4.675474 5.840686 5.735411 27 H 7.168465 5.866960 5.126239 5.882472 7.442803 28 H 5.952242 4.765525 3.804382 4.335850 6.737114 29 H 6.521227 5.307466 4.392532 4.957751 7.145038 30 H 6.947964 5.605557 5.397184 6.549379 6.373604 31 H 6.873833 5.561875 5.277364 6.358839 6.430134 32 H 5.809925 4.523953 4.603074 5.879694 4.947611 16 17 18 19 20 16 H 0.000000 17 H 1.763224 0.000000 18 C 6.410020 5.675528 0.000000 19 Br 4.406969 4.164708 7.885203 0.000000 20 H 7.704262 6.472273 3.640476 7.143197 0.000000 21 H 1.759705 1.757178 6.983288 2.906426 7.405503 22 H 2.879475 3.593502 6.897523 2.705255 7.405945 23 N 7.402620 6.741665 1.326227 9.188692 4.550665 24 H 5.512198 4.988782 1.077651 7.305130 4.256615 25 C 8.691694 7.863643 2.413727 10.176115 4.539156 26 C 7.534416 7.170285 2.418818 9.838952 5.925407 27 H 9.286291 8.502953 3.263434 11.082031 5.562531 28 H 8.658626 7.634969 2.595083 9.907144 3.927572 29 H 9.291747 8.515849 2.885556 10.464748 4.539067 30 H 7.934782 7.535816 3.168320 10.530545 6.596808 31 H 8.339765 8.069362 3.089118 10.479225 6.366070 32 H 6.665296 6.488250 2.514564 9.191289 6.139870 21 22 23 24 25 21 H 0.000000 22 H 2.533080 0.000000 23 N 8.135577 8.078230 0.000000 24 H 6.231845 6.047109 2.037037 0.000000 25 C 9.292017 9.309584 1.452723 3.366728 0.000000 26 C 8.538014 8.366387 1.449034 2.559450 2.481905 27 H 10.006435 10.117694 2.071207 4.091771 1.081814 28 H 9.094830 9.313579 2.082125 3.634433 1.078240 29 H 9.832696 9.612259 2.102794 3.827713 1.085088 30 H 9.012777 9.072381 2.088885 3.344801 2.773211 31 H 9.343857 8.933510 2.096292 3.276935 2.758226 32 H 7.777737 7.528961 2.084107 2.179581 3.393584 26 27 28 29 30 26 C 0.000000 27 H 2.558803 0.000000 28 H 3.338446 1.763133 0.000000 29 H 2.992136 1.764400 1.758383 0.000000 30 H 1.083694 2.446106 3.547161 3.475843 0.000000 31 H 1.085295 2.769650 3.778794 2.898750 1.761101 32 H 1.080955 3.595156 4.130719 3.885242 1.757586 31 32 31 H 0.000000 32 H 1.757665 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.267506 -1.942954 0.026948 2 6 0 -1.800786 -2.504754 1.337780 3 8 0 -1.900482 -2.463779 -1.088088 4 7 0 3.351907 0.614958 0.075983 5 8 0 0.207148 3.856287 -0.017849 6 6 0 0.362619 2.672289 0.000947 7 6 0 -0.600774 1.604027 -0.002411 8 7 0 -1.976572 1.639528 -0.032035 9 6 0 -2.318726 0.418092 -0.017574 10 7 0 -1.272442 -0.474597 0.021913 11 6 0 -0.158722 0.312095 0.023390 12 7 0 1.116274 -0.137554 0.060494 13 6 0 1.996178 0.814165 0.053842 14 7 0 1.658736 2.128089 0.031435 15 1 0 -0.228591 -2.201597 -0.077005 16 1 0 -1.727712 -3.585882 1.312610 17 1 0 -1.213054 -2.133125 2.169103 18 6 0 3.767131 -0.590209 -0.073394 19 35 0 -4.105382 -0.143025 -0.071151 20 1 0 2.408966 2.785843 0.030168 21 1 0 -2.835359 -2.231587 1.501192 22 1 0 -2.837887 -2.332246 -1.029885 23 7 0 5.050228 -0.919649 -0.010077 24 1 0 3.087297 -1.406812 -0.253168 25 6 0 6.064311 0.099825 0.196598 26 6 0 5.500218 -2.255234 -0.346858 27 1 0 6.954433 -0.370838 0.592173 28 1 0 5.705520 0.835372 0.898625 29 1 0 6.311949 0.598445 -0.734783 30 1 0 6.106155 -2.661028 0.454743 31 1 0 6.092322 -2.244527 -1.256343 32 1 0 4.650427 -2.905692 -0.499253 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5664759 0.1450249 0.1185260 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.5944722727 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.40D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000039 0.000028 -0.000066 Ang= 0.01 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58113930 A.U. after 10 cycles NFock= 10 Conv=0.89D-08 -V/T= 2.0038 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 -0.000037976 0.000266762 0.000235809 2 6 0.000202497 -0.000050360 0.000012776 3 8 0.000000402 -0.000059435 0.000014921 4 7 -0.000384422 -0.000174731 -0.000115456 5 8 -0.000043698 0.000011781 0.000009251 6 6 0.000461085 0.000454061 -0.000018273 7 6 -0.000089790 -0.000472751 0.000114483 8 7 -0.000028444 0.000367770 -0.000215995 9 6 0.000538537 -0.000136859 0.000354790 10 7 -0.000394580 -0.000637808 -0.000230156 11 6 0.000065848 0.000798921 -0.000092341 12 7 -0.000051116 -0.000125289 -0.000026466 13 6 0.000314779 0.000098687 -0.000242133 14 7 -0.000248270 -0.000231645 0.000065913 15 1 -0.000067477 -0.000041481 -0.000074409 16 1 -0.000012456 0.000025603 -0.000000186 17 1 -0.000060418 -0.000021920 0.000061085 18 6 0.000049570 0.000143338 0.000823611 19 35 -0.000068265 -0.000124462 -0.000060939 20 1 -0.000007185 0.000023911 0.000011790 21 1 0.000001891 0.000063520 -0.000018363 22 1 -0.000054121 -0.000069053 -0.000027839 23 7 -0.000108803 -0.000327688 -0.000702779 24 1 -0.000048889 -0.000056842 -0.000129325 25 6 -0.000016487 0.000249232 0.000303420 26 6 -0.000036447 0.000044529 -0.000158095 27 1 0.000027626 0.000034662 0.000029609 28 1 -0.000005857 -0.000135650 -0.000080177 29 1 0.000167229 0.000018145 0.000001831 30 1 -0.000007591 0.000058893 0.000003765 31 1 0.000001448 -0.000042201 0.000008036 32 1 -0.000058619 0.000048358 0.000141841 ------------------------------------------------------------------- Cartesian Forces: Max 0.000823611 RMS 0.000225649 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000495266 RMS 0.000108944 Search for a local minimum. Step number 31 out of a maximum of 168 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 24 25 26 27 28 29 30 31 DE= -2.32D-05 DEPred=-1.41D-05 R= 1.64D+00 TightC=F SS= 1.41D+00 RLast= 4.65D-02 DXNew= 1.3363D+00 1.3960D-01 Trust test= 1.64D+00 RLast= 4.65D-02 DXMaxT set to 7.95D-01 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 -1 -1 1 ITU= -1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00036 0.00224 0.00305 0.00623 0.00925 Eigenvalues --- 0.01077 0.01663 0.01711 0.01752 0.01894 Eigenvalues --- 0.01909 0.02140 0.02357 0.02588 0.02652 Eigenvalues --- 0.03254 0.03391 0.04272 0.04853 0.05507 Eigenvalues --- 0.05659 0.05802 0.06111 0.06632 0.07216 Eigenvalues --- 0.07626 0.07648 0.07790 0.07851 0.09030 Eigenvalues --- 0.15377 0.15648 0.15974 0.15997 0.16007 Eigenvalues --- 0.16027 0.16030 0.16098 0.16132 0.16225 Eigenvalues --- 0.16549 0.17265 0.18985 0.19812 0.21421 Eigenvalues --- 0.22276 0.23555 0.23699 0.24363 0.24590 Eigenvalues --- 0.24853 0.24975 0.25674 0.25824 0.27838 Eigenvalues --- 0.29289 0.30948 0.32471 0.32739 0.33672 Eigenvalues --- 0.33718 0.33738 0.33750 0.33763 0.33798 Eigenvalues --- 0.33886 0.33997 0.34437 0.34781 0.37159 Eigenvalues --- 0.38400 0.39274 0.40749 0.41202 0.41994 Eigenvalues --- 0.43800 0.44497 0.47085 0.48648 0.49009 Eigenvalues --- 0.49658 0.50826 0.51909 0.54068 0.56719 Eigenvalues --- 0.61443 0.69602 0.73098 0.80126 0.87634 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 31 30 29 28 27 26 25 24 23 22 RFO step: Lambda=-1.07921761D-04. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. RFO-DIIS uses 5 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 3.00000 -1.32518 0.00000 -0.14198 -1.07465 RFO-DIIS coefs: 0.54181 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.04982509 RMS(Int)= 0.00320895 Iteration 2 RMS(Cart)= 0.00341758 RMS(Int)= 0.00003580 Iteration 3 RMS(Cart)= 0.00001527 RMS(Int)= 0.00003394 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00003394 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87728 0.00005 -0.00012 0.00024 0.00011 2.87740 R2 2.61522 0.00011 0.00226 0.00103 0.00329 2.61851 R3 2.77482 -0.00001 -0.00170 -0.00088 -0.00258 2.77224 R4 2.03271 -0.00006 -0.00022 -0.00017 -0.00039 2.03232 R5 2.04825 -0.00002 -0.00011 -0.00011 -0.00022 2.04803 R6 2.04810 0.00001 0.00003 0.00009 0.00012 2.04822 R7 2.04551 -0.00004 -0.00013 -0.00009 -0.00021 2.04529 R8 1.79217 0.00008 0.00043 0.00033 0.00076 1.79293 R9 2.58980 -0.00040 0.00021 -0.00028 -0.00008 2.58973 R10 2.42530 -0.00001 -0.00032 0.00001 -0.00031 2.42499 R11 2.25692 0.00004 -0.00005 0.00007 0.00002 2.25694 R12 2.71840 0.00019 0.00119 0.00090 0.00210 2.72049 R13 2.65707 -0.00043 -0.00091 -0.00133 -0.00224 2.65483 R14 2.60135 -0.00015 -0.00106 -0.00096 -0.00202 2.59933 R15 2.58082 -0.00014 0.00029 -0.00024 0.00005 2.58087 R16 2.39719 0.00036 0.00091 0.00083 0.00174 2.39893 R17 2.60012 -0.00031 -0.00020 -0.00067 -0.00086 2.59926 R18 3.54033 0.00011 -0.00100 0.00008 -0.00093 3.53940 R19 2.57673 0.00050 0.00075 0.00114 0.00189 2.57862 R20 2.55580 -0.00012 0.00032 -0.00010 0.00022 2.55602 R21 2.44940 0.00000 -0.00006 0.00008 0.00002 2.44941 R22 2.56388 -0.00011 0.00114 0.00051 0.00165 2.56553 R23 1.88546 0.00002 0.00001 0.00002 0.00003 1.88549 R24 2.50621 -0.00001 0.00165 0.00057 0.00222 2.50842 R25 2.03647 0.00001 0.00000 -0.00004 -0.00004 2.03642 R26 2.74525 0.00005 -0.00083 -0.00085 -0.00168 2.74357 R27 2.73828 -0.00013 0.00012 -0.00058 -0.00046 2.73782 R28 2.04433 0.00005 0.00062 0.00080 0.00142 2.04576 R29 2.03758 -0.00007 -0.00103 -0.00143 -0.00245 2.03512 R30 2.05052 -0.00002 0.00085 0.00086 0.00171 2.05223 R31 2.04788 0.00003 -0.00029 0.00015 -0.00014 2.04775 R32 2.05091 -0.00001 0.00059 0.00020 0.00079 2.05170 R33 2.04271 -0.00001 -0.00015 -0.00005 -0.00020 2.04251 A1 1.97643 -0.00006 -0.00214 -0.00095 -0.00309 1.97333 A2 1.95061 0.00019 0.00294 0.00211 0.00504 1.95565 A3 1.91003 -0.00001 -0.00080 -0.00004 -0.00086 1.90917 A4 1.95200 -0.00009 0.00010 0.00036 0.00046 1.95246 A5 1.84772 0.00004 -0.00178 -0.00140 -0.00318 1.84454 A6 1.81663 -0.00007 0.00170 -0.00024 0.00147 1.81809 A7 1.90121 0.00001 -0.00181 -0.00042 -0.00223 1.89898 A8 1.92187 0.00009 0.00039 0.00097 0.00136 1.92323 A9 1.95154 -0.00004 0.00091 -0.00044 0.00046 1.95201 A10 1.89998 -0.00002 0.00052 0.00041 0.00092 1.90090 A11 1.89617 0.00002 -0.00042 -0.00001 -0.00044 1.89574 A12 1.89228 -0.00006 0.00042 -0.00048 -0.00007 1.89222 A13 1.92884 0.00007 -0.00210 -0.00059 -0.00269 1.92615 A14 2.04279 -0.00032 -0.00020 -0.00012 -0.00032 2.04247 A15 2.27705 -0.00005 -0.00097 -0.00071 -0.00169 2.27536 A16 2.09906 -0.00002 0.00074 0.00032 0.00106 2.10012 A17 1.90708 0.00007 0.00024 0.00039 0.00063 1.90770 A18 2.27869 0.00008 -0.00019 0.00020 0.00001 2.27870 A19 2.07794 -0.00014 -0.00022 -0.00072 -0.00093 2.07701 A20 1.92655 0.00006 0.00041 0.00052 0.00092 1.92748 A21 1.81780 0.00010 -0.00002 0.00011 0.00009 1.81788 A22 2.00416 -0.00013 -0.00001 -0.00027 -0.00028 2.00388 A23 2.14753 -0.00003 0.00023 -0.00047 -0.00026 2.14727 A24 2.13139 0.00016 -0.00026 0.00068 0.00040 2.13180 A25 2.28028 0.00008 0.00134 0.00135 0.00265 2.28293 A26 2.18241 -0.00015 -0.00132 -0.00141 -0.00276 2.17965 A27 1.82019 0.00007 -0.00016 0.00017 0.00000 1.82019 A28 1.85603 -0.00010 -0.00024 -0.00051 -0.00075 1.85528 A29 2.23974 0.00007 -0.00003 0.00044 0.00041 2.24015 A30 2.18733 0.00002 0.00023 0.00007 0.00030 2.18763 A31 1.97764 -0.00006 -0.00006 0.00003 -0.00002 1.97761 A32 2.17091 0.00006 -0.00093 0.00035 -0.00058 2.17033 A33 1.96825 -0.00009 0.00069 -0.00001 0.00068 1.96894 A34 2.14400 0.00003 0.00022 -0.00034 -0.00013 2.14387 A35 2.21987 0.00002 -0.00020 0.00022 0.00001 2.21988 A36 2.02412 -0.00001 0.00087 0.00012 0.00098 2.02510 A37 2.03918 -0.00001 -0.00065 -0.00032 -0.00098 2.03820 A38 2.14208 0.00012 0.00255 0.00341 0.00595 2.14803 A39 2.12572 -0.00012 -0.00131 -0.00159 -0.00291 2.12281 A40 2.01536 0.00001 -0.00127 -0.00174 -0.00302 2.01234 A41 2.10346 0.00027 0.00301 0.00629 0.00908 2.11254 A42 2.11566 -0.00007 -0.00148 -0.00073 -0.00239 2.11327 A43 2.05230 -0.00018 -0.00382 -0.00573 -0.00973 2.04257 A44 1.89765 0.00002 0.00064 0.00080 0.00144 1.89909 A45 1.91673 -0.00010 -0.00199 -0.00247 -0.00446 1.91226 A46 1.93871 -0.00001 0.00044 0.00005 0.00049 1.93920 A47 1.90976 0.00007 0.00092 0.00134 0.00226 1.91202 A48 1.90287 -0.00004 -0.00119 -0.00189 -0.00308 1.89979 A49 1.89793 0.00007 0.00120 0.00219 0.00339 1.90131 A50 1.92502 -0.00006 -0.00189 -0.00117 -0.00306 1.92195 A51 1.93382 0.00008 0.00108 0.00009 0.00117 1.93499 A52 1.92119 -0.00010 0.00006 0.00037 0.00043 1.92162 A53 1.89496 0.00001 -0.00017 -0.00025 -0.00042 1.89454 A54 1.89497 0.00001 0.00030 0.00029 0.00059 1.89556 A55 1.89304 0.00006 0.00064 0.00070 0.00134 1.89438 D1 0.97007 0.00000 -0.00244 -0.00107 -0.00351 0.96657 D2 3.05247 0.00003 -0.00268 -0.00025 -0.00293 3.04954 D3 -1.12582 -0.00001 -0.00129 -0.00049 -0.00178 -1.12760 D4 -3.08954 -0.00001 -0.00160 0.00041 -0.00119 -3.09073 D5 -1.00714 0.00002 -0.00184 0.00123 -0.00062 -1.00775 D6 1.09775 -0.00002 -0.00045 0.00099 0.00054 1.09829 D7 -1.08669 0.00000 0.00168 0.00130 0.00298 -1.08371 D8 0.99571 0.00003 0.00143 0.00212 0.00355 0.99926 D9 3.10060 -0.00001 0.00283 0.00188 0.00471 3.10531 D10 0.97049 0.00007 0.00536 0.00658 0.01194 0.98243 D11 -1.25235 -0.00006 0.00304 0.00419 0.00722 -1.24513 D12 3.06321 0.00004 0.00197 0.00507 0.00704 3.07025 D13 -1.21756 -0.00003 0.00468 0.00082 0.00549 -1.21207 D14 1.95519 -0.00007 0.01484 -0.00471 0.01013 1.96532 D15 1.01909 -0.00002 0.00428 0.00156 0.00584 1.02493 D16 -2.09134 -0.00007 0.01443 -0.00397 0.01047 -2.08087 D17 3.00604 -0.00006 0.00318 -0.00004 0.00313 3.00917 D18 -0.10440 -0.00011 0.01334 -0.00557 0.00776 -0.09663 D19 0.15667 -0.00008 0.02780 0.00006 0.02786 0.18453 D20 -2.99107 -0.00018 0.02364 0.00077 0.02441 -2.96666 D21 -3.08690 -0.00019 0.01439 -0.00557 0.00882 -3.07808 D22 0.04714 0.00003 0.00479 0.00778 0.01257 0.05971 D23 0.00365 0.00001 -0.00271 0.00414 0.00143 0.00508 D24 -3.14136 0.00003 -0.00148 0.00553 0.00405 -3.13731 D25 -3.13742 0.00002 0.00252 -0.00222 0.00030 -3.13712 D26 0.00076 0.00003 0.00375 -0.00083 0.00293 0.00368 D27 -3.14030 -0.00001 0.00022 -0.00486 -0.00464 3.13824 D28 -0.00641 0.00002 0.00203 -0.00302 -0.00099 -0.00740 D29 0.00083 -0.00001 -0.00438 0.00074 -0.00365 -0.00282 D30 3.13472 0.00002 -0.00258 0.00258 0.00000 3.13472 D31 -3.13975 0.00004 0.00161 0.00163 0.00323 -3.13652 D32 0.00503 0.00002 0.00046 0.00033 0.00079 0.00581 D33 3.13509 -0.00003 -0.00293 -0.00052 -0.00346 3.13164 D34 0.00687 -0.00003 0.00016 -0.00009 0.00007 0.00694 D35 -0.00927 -0.00001 -0.00193 0.00060 -0.00133 -0.01060 D36 -3.13749 -0.00002 0.00116 0.00104 0.00220 -3.13529 D37 0.00128 -0.00003 0.00126 -0.00118 0.00008 0.00136 D38 -3.12512 0.00007 0.00428 0.00369 0.00797 -3.11715 D39 -3.12218 -0.00002 0.00615 -0.00308 0.00309 -3.11909 D40 -0.00691 0.00002 -0.00245 0.00157 -0.00088 -0.00780 D41 0.00437 -0.00012 0.00316 -0.00790 -0.00473 -0.00036 D42 3.11964 -0.00008 -0.00544 -0.00326 -0.00870 3.11094 D43 3.12653 0.00004 -0.00544 0.00314 -0.00228 3.12425 D44 -0.02791 0.00004 -0.00841 0.00273 -0.00568 -0.03359 D45 0.00934 -0.00000 0.00249 -0.00121 0.00128 0.01061 D46 3.13807 0.00000 -0.00048 -0.00163 -0.00211 3.13596 D47 -0.01502 0.00000 -0.00406 0.00120 -0.00286 -0.01788 D48 -3.14089 -0.00000 -0.00042 0.00172 0.00130 -3.13959 D49 -3.13259 -0.00008 -0.00099 -0.00053 -0.00152 -3.13411 D50 0.01574 0.00002 0.00357 -0.00131 0.00226 0.01801 D51 3.13749 0.00007 0.00477 -0.00031 0.00446 -3.14123 D52 0.00366 0.00004 0.00294 -0.00216 0.00078 0.00444 D53 -0.01014 -0.00002 0.00068 0.00039 0.00107 -0.00907 D54 3.13921 -0.00005 -0.00114 -0.00147 -0.00261 3.13660 D55 -0.03247 0.00015 -0.00684 0.00881 0.00189 -0.03058 D56 -3.00586 0.00004 0.01258 0.01059 0.02324 -2.98262 D57 3.11624 -0.00006 0.00219 -0.00376 -0.00164 3.11460 D58 0.14285 -0.00016 0.02161 -0.00198 0.01971 0.16256 D59 2.76451 -0.00012 -0.06410 -0.09453 -0.15860 2.60590 D60 0.67542 -0.00016 -0.06442 -0.09518 -0.15957 0.51585 D61 -1.42475 -0.00017 -0.06489 -0.09633 -0.16119 -1.58593 D62 -0.53933 -0.00001 -0.08266 -0.09584 -0.17852 -0.71785 D63 -2.62842 -0.00005 -0.08299 -0.09648 -0.17949 -2.80791 D64 1.55460 -0.00006 -0.08345 -0.09763 -0.18111 1.37349 D65 -2.22721 0.00004 -0.03996 -0.00810 -0.04798 -2.27519 D66 1.95725 0.00002 -0.03922 -0.00707 -0.04621 1.91104 D67 -0.13658 -0.00005 -0.04075 -0.00825 -0.04891 -0.18549 D68 1.07782 -0.00011 -0.02162 -0.00747 -0.02917 1.04865 D69 -1.02090 -0.00013 -0.02087 -0.00645 -0.02740 -1.04831 D70 -3.11473 -0.00019 -0.02240 -0.00762 -0.03011 3.13835 Item Value Threshold Converged? Maximum Force 0.000495 0.000450 NO RMS Force 0.000109 0.000300 YES Maximum Displacement 0.358774 0.001800 NO RMS Displacement 0.049849 0.001200 NO Predicted change in Energy=-6.302935D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.197330 -4.801514 2.274109 2 6 0 7.169247 -4.998864 3.783656 3 8 0 7.447516 -5.973235 1.578031 4 7 0 7.658813 0.089699 0.346794 5 8 0 3.274864 -0.928670 -0.049709 6 6 0 4.328447 -1.352917 0.319583 7 6 0 4.668651 -2.623307 0.905149 8 7 0 3.880897 -3.711296 1.201357 9 6 0 4.688217 -4.550966 1.706044 10 7 0 5.992695 -4.121998 1.785005 11 6 0 5.967309 -2.866579 1.250895 12 7 0 7.036629 -2.047831 1.125633 13 6 0 6.747149 -0.904838 0.587268 14 7 0 5.487388 -0.566316 0.211043 15 1 0 7.999556 -4.133249 2.016303 16 1 0 8.101624 -5.456237 4.093561 17 1 0 7.063337 -4.043243 4.284004 18 6 0 8.898871 -0.210189 0.484832 19 35 0 4.165257 -6.259325 2.268220 20 1 0 5.366103 0.338975 -0.190523 21 1 0 6.351820 -5.638202 4.091032 22 1 0 6.808623 -6.636163 1.807195 23 7 0 9.877749 0.676320 0.351074 24 1 0 9.214706 -1.212439 0.723638 25 6 0 9.595268 2.055772 -0.002668 26 6 0 11.265099 0.259912 0.321693 27 1 0 10.348073 2.692081 0.444934 28 1 0 8.622875 2.331539 0.369093 29 1 0 9.613359 2.194943 -1.079558 30 1 0 11.847533 0.854567 1.015517 31 1 0 11.684049 0.380379 -0.672665 32 1 0 11.346945 -0.779807 0.605459 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522652 0.000000 3 O 1.385658 2.427265 0.000000 4 N 5.277449 6.159965 6.190295 0.000000 5 O 5.982039 6.813764 6.745976 4.518107 0.000000 6 C 4.893208 5.776061 5.714860 3.629493 1.194319 7 C 3.607334 4.492445 4.404189 4.075933 2.392946 8 N 3.652137 4.374855 4.240169 5.426830 3.110538 9 C 2.584787 3.266894 3.106923 5.675189 4.266294 10 N 1.467007 2.479471 2.363561 4.752135 4.577130 11 C 2.510755 3.522240 3.456782 3.523942 3.563190 12 N 2.987908 3.973824 3.972693 2.358545 4.096928 13 C 4.269915 5.211153 5.211600 1.370424 3.530307 14 N 5.011691 5.936303 5.911474 2.272415 2.257112 15 H 1.075457 2.135940 1.970375 4.553752 6.071280 16 H 2.134670 1.083770 2.650101 6.707589 7.807891 17 H 2.152349 1.083871 3.345856 5.739113 6.544780 18 C 5.213158 6.066733 6.042699 1.283251 5.694857 19 Br 3.364330 3.592947 3.366220 7.497127 5.880602 20 H 5.987689 6.894777 6.877795 2.367988 2.449496 21 H 2.171669 1.082322 2.761878 6.966807 6.985205 22 H 1.932625 2.591756 0.948775 6.934898 6.964986 23 N 6.394480 7.164239 7.185266 2.295174 6.806960 24 H 4.399457 5.280590 5.149575 2.063584 5.996691 25 C 7.612896 8.365986 8.460284 2.781623 6.989750 26 C 6.780612 7.511054 7.416499 3.610388 8.086687 27 H 8.332288 8.966752 9.207868 3.743547 7.961456 28 H 7.519422 8.216270 8.474212 2.440443 6.277386 29 H 8.126173 9.020831 8.858487 3.207301 7.141012 30 H 7.429649 7.988217 8.142201 4.310173 8.820730 31 H 7.460974 8.317361 7.961297 4.162489 8.533233 32 H 6.014800 6.734578 6.566820 3.798061 8.099993 6 7 8 9 10 6 C 0.000000 7 C 1.439623 0.000000 8 N 2.557298 1.375505 0.000000 9 C 3.504172 2.087507 1.269457 0.000000 10 N 3.547533 2.184791 2.229129 1.375468 0.000000 11 C 2.417516 1.365736 2.251469 2.163422 1.364548 12 N 2.909789 2.446856 3.568122 3.481035 2.413864 13 C 2.474379 2.715573 4.058166 4.334179 3.514810 14 N 1.404873 2.320199 3.667756 4.330259 3.921168 15 H 4.907764 3.822239 4.219661 3.351971 2.020177 16 H 6.731791 5.475105 5.405942 4.262758 3.399590 17 H 5.516711 4.378059 4.443065 3.541872 2.719829 18 C 4.714013 4.888207 6.160456 6.169547 5.043665 19 Br 5.281729 3.915610 2.776962 1.872971 2.853278 20 H 2.049253 3.234509 4.532974 5.288480 4.918903 21 H 6.056528 4.698138 4.262471 3.104485 2.783093 22 H 6.023035 4.636398 4.182520 2.975635 2.643343 23 N 5.908770 6.191062 7.479064 7.489440 6.338269 24 H 4.904949 4.763414 5.909486 5.709640 4.469159 25 C 6.281912 6.854886 8.207484 8.405227 7.371509 26 C 7.121683 7.222638 8.430347 8.265371 7.010040 27 H 7.253525 7.792367 9.132348 9.278259 8.197364 28 H 5.658603 6.361898 7.726246 8.039767 7.111314 29 H 6.517301 7.183643 8.540922 8.804765 7.824236 30 H 7.867272 7.977727 9.184167 8.997356 7.722527 31 H 7.621926 7.792781 9.007938 8.883585 7.661791 32 H 7.047659 6.934545 8.043046 7.731209 6.421024 11 12 13 14 15 11 C 0.000000 12 N 1.352585 0.000000 13 C 2.212912 1.296174 0.000000 14 N 2.569597 2.330559 1.357623 0.000000 15 H 2.514027 2.463634 3.746105 4.721542 0.000000 16 H 4.397997 4.643280 5.902874 6.769011 2.464897 17 H 3.433011 3.735999 4.859569 5.582261 2.455010 18 C 4.029556 2.693603 2.263391 3.440931 4.306341 19 Br 3.974049 5.223693 6.177564 6.195996 4.391527 20 H 3.565769 3.196836 2.014775 0.997756 5.639675 21 H 3.986994 4.706732 5.902320 6.444035 3.047034 22 H 3.902184 4.644277 5.860042 6.413767 2.779681 23 N 5.352884 4.011596 3.515183 4.564978 5.425178 24 H 3.682359 2.367171 2.490392 3.817476 3.417412 25 C 6.242039 4.965808 4.150304 4.878083 6.702725 26 C 6.221330 4.883846 4.673227 5.837537 5.730213 27 H 7.123158 5.822008 5.091634 5.856459 7.387142 28 H 5.903393 4.718836 3.747011 4.272449 6.700397 29 H 6.659107 5.431715 4.538955 5.129701 7.227360 30 H 6.962713 5.619683 5.412284 6.566394 6.378621 31 H 6.850105 5.543337 5.254731 6.330543 6.417077 32 H 5.806177 4.522973 4.601531 5.876695 4.943791 16 17 18 19 20 16 H 0.000000 17 H 1.763763 0.000000 18 C 6.417129 5.700455 0.000000 19 Br 4.412687 4.168126 7.885406 0.000000 20 H 7.708497 6.488900 3.638425 7.143180 0.000000 21 H 1.759242 1.757097 6.996819 2.913674 7.418221 22 H 2.879505 3.594815 6.885559 2.709601 7.397587 23 N 7.400614 6.757450 1.327401 9.187557 4.556543 24 H 5.532192 5.031703 1.077629 7.304364 4.249037 25 C 8.685640 7.873005 2.420167 10.187384 4.568207 26 C 7.543801 7.202212 2.417983 9.833473 5.921720 27 H 9.206199 8.419770 3.244218 11.030832 5.546254 28 H 8.648284 7.641762 2.559288 9.863062 3.858762 29 H 9.358796 8.613092 2.956767 10.600193 4.719553 30 H 7.958167 7.586835 3.179613 10.544861 6.612813 31 H 8.343666 8.092463 3.073399 10.453072 6.336451 32 H 6.675923 6.521579 2.516363 9.185126 6.136427 21 22 23 24 25 21 H 0.000000 22 H 2.533872 0.000000 23 N 8.142030 8.063017 0.000000 24 H 6.254825 6.031593 2.036134 0.000000 25 C 9.299225 9.305415 1.451832 3.369504 0.000000 26 C 8.551958 8.344025 1.448792 2.556069 2.473592 27 H 9.932658 10.069737 2.072029 4.075227 1.082567 28 H 9.084454 9.261714 2.077206 3.610505 1.076941 29 H 9.936337 9.705067 2.103051 3.875654 1.085996 30 H 9.045314 9.062472 2.086457 3.359983 2.748144 31 H 9.346058 8.896704 2.097222 3.253365 2.760225 32 H 7.791309 7.505827 2.084120 2.178894 3.388024 26 27 28 29 30 26 C 0.000000 27 H 2.602224 0.000000 28 H 3.357861 1.764100 0.000000 29 H 2.904495 1.763810 1.760201 0.000000 30 H 1.083621 2.439345 3.605237 3.343274 0.000000 31 H 1.085715 2.894447 3.776648 2.783156 1.761119 32 H 1.080851 3.616286 4.142090 3.833242 1.757815 31 32 31 H 0.000000 32 H 1.758770 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.263108 -1.941425 0.043095 2 6 0 -1.803960 -2.506874 1.349316 3 8 0 -1.885154 -2.470593 -1.076319 4 7 0 3.350299 0.621011 0.086338 5 8 0 0.200660 3.858345 -0.026500 6 6 0 0.359165 2.674786 -0.004998 7 6 0 -0.604042 1.604857 -0.005647 8 7 0 -1.978778 1.639022 -0.036448 9 6 0 -2.320313 0.416571 -0.014299 10 7 0 -1.273516 -0.474498 0.031799 11 6 0 -0.159743 0.313846 0.027854 12 7 0 1.115874 -0.133865 0.070774 13 6 0 1.994534 0.818958 0.058426 14 7 0 1.654982 2.133077 0.027850 15 1 0 -0.223203 -2.198061 -0.053567 16 1 0 -1.724665 -3.587384 1.321609 17 1 0 -1.225641 -2.133510 2.186528 18 6 0 3.767729 -0.580602 -0.082814 19 35 0 -4.105686 -0.145930 -0.078013 20 1 0 2.404888 2.791218 0.025017 21 1 0 -2.841430 -2.240415 1.504480 22 1 0 -2.823024 -2.335708 -1.027532 23 7 0 5.048980 -0.919540 -0.008586 24 1 0 3.088665 -1.390297 -0.293882 25 6 0 6.074356 0.078540 0.236891 26 6 0 5.496573 -2.241731 -0.396488 27 1 0 6.889228 -0.384191 0.778939 28 1 0 5.662143 0.882443 0.823083 29 1 0 6.457828 0.482751 -0.695283 30 1 0 6.123536 -2.665480 0.379135 31 1 0 6.067896 -2.201477 -1.318847 32 1 0 4.646678 -2.892368 -0.546784 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5655030 0.1449673 0.1185081 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.1448898459 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.42D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 0.000058 0.000183 -0.000259 Ang= 0.04 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58118741 A.U. after 12 cycles NFock= 12 Conv=0.60D-08 -V/T= 2.0038 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 0.001158052 -0.001253928 -0.000132812 2 6 -0.000177550 0.000148990 -0.000154735 3 8 -0.000988756 0.000325939 0.000543477 4 7 -0.000479051 -0.000201718 0.000126519 5 8 0.000036202 0.000107585 -0.000146718 6 6 -0.000147928 -0.000497452 0.000380994 7 6 0.000564234 0.000721656 -0.000211453 8 7 0.000286844 -0.000782236 0.000388741 9 6 -0.000144158 0.000282300 -0.000398361 10 7 -0.000154250 0.000533786 -0.000577898 11 6 -0.000466302 0.000279495 0.000385516 12 7 -0.000080132 0.000053197 -0.000371891 13 6 -0.000040688 0.000002574 0.000084566 14 7 0.000955225 0.000103468 0.000113075 15 1 -0.000199962 0.000324860 -0.000020340 16 1 0.000011335 0.000099485 0.000104091 17 1 -0.000020460 -0.000034821 0.000010354 18 6 0.000129028 0.000196760 0.000081157 19 35 0.000015165 -0.000152448 0.000232700 20 1 -0.000145894 -0.000008479 0.000015752 21 1 -0.000151950 0.000002119 -0.000027531 22 1 0.000334767 0.000014712 -0.000233681 23 7 -0.000462756 -0.000442936 -0.001229228 24 1 0.000092900 -0.000017667 0.000087131 25 6 0.000136046 0.000213786 0.000298862 26 6 -0.000173789 0.000041096 0.000156849 27 1 -0.000041496 0.000190342 -0.000012520 28 1 -0.000085822 0.000143109 0.000014754 29 1 0.000150279 -0.000313128 0.000228786 30 1 0.000054536 -0.000055189 0.000010101 31 1 -0.000058498 0.000026516 0.000106487 32 1 0.000094827 -0.000051772 0.000147253 ------------------------------------------------------------------- Cartesian Forces: Max 0.001253928 RMS 0.000357261 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000746366 RMS 0.000210136 Search for a local minimum. Step number 32 out of a maximum of 168 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 29 30 31 32 DE= -4.81D-05 DEPred=-6.30D-05 R= 7.63D-01 TightC=F SS= 1.41D+00 RLast= 4.32D-01 DXNew= 1.3363D+00 1.2967D+00 Trust test= 7.63D-01 RLast= 4.32D-01 DXMaxT set to 1.30D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 -1 -1 ITU= 1 -1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00048 0.00240 0.00305 0.00581 0.00918 Eigenvalues --- 0.01077 0.01665 0.01714 0.01762 0.01897 Eigenvalues --- 0.01911 0.02140 0.02368 0.02591 0.02661 Eigenvalues --- 0.03332 0.03438 0.04283 0.04852 0.05506 Eigenvalues --- 0.05663 0.05803 0.06084 0.06618 0.07337 Eigenvalues --- 0.07632 0.07660 0.07790 0.07883 0.09043 Eigenvalues --- 0.15381 0.15692 0.15979 0.15998 0.16012 Eigenvalues --- 0.16027 0.16083 0.16098 0.16204 0.16354 Eigenvalues --- 0.16543 0.17505 0.18996 0.20145 0.21436 Eigenvalues --- 0.22279 0.23557 0.23706 0.24362 0.24512 Eigenvalues --- 0.24858 0.24948 0.25773 0.26067 0.27853 Eigenvalues --- 0.29368 0.31028 0.32505 0.33127 0.33672 Eigenvalues --- 0.33726 0.33749 0.33752 0.33783 0.33800 Eigenvalues --- 0.33926 0.34072 0.34523 0.35269 0.37206 Eigenvalues --- 0.38398 0.39324 0.40749 0.41199 0.42552 Eigenvalues --- 0.43862 0.44524 0.47100 0.48648 0.49177 Eigenvalues --- 0.49698 0.50877 0.51973 0.54013 0.57037 Eigenvalues --- 0.61466 0.69767 0.74971 0.80374 0.87639 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 32 31 30 29 28 27 26 25 24 23 RFO step: Lambda=-4.60239829D-05. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. RFO-DIIS uses 5 points instead of 10 DidBck=T Rises=F RFO-DIIS coefs: 0.49739 0.05362 0.36768 -2.00000 2.08131 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.03076880 RMS(Int)= 0.00032018 Iteration 2 RMS(Cart)= 0.00062447 RMS(Int)= 0.00004981 Iteration 3 RMS(Cart)= 0.00000037 RMS(Int)= 0.00004981 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87740 -0.00009 0.00010 -0.00018 -0.00008 2.87731 R2 2.61851 -0.00056 -0.00251 0.00083 -0.00168 2.61684 R3 2.77224 0.00017 0.00172 -0.00063 0.00109 2.77333 R4 2.03232 0.00006 0.00017 -0.00009 0.00008 2.03240 R5 2.04803 -0.00000 0.00012 -0.00012 -0.00000 2.04802 R6 2.04822 -0.00002 -0.00002 0.00000 -0.00002 2.04820 R7 2.04529 0.00011 0.00027 -0.00001 0.00026 2.04555 R8 1.79293 -0.00029 -0.00042 0.00018 -0.00025 1.79268 R9 2.58973 -0.00063 -0.00023 -0.00060 -0.00083 2.58889 R10 2.42499 -0.00015 0.00071 -0.00025 0.00046 2.42545 R11 2.25694 0.00005 0.00007 0.00001 0.00008 2.25702 R12 2.72049 -0.00037 -0.00112 0.00073 -0.00039 2.72010 R13 2.65483 0.00014 0.00072 -0.00072 -0.00000 2.65482 R14 2.59933 0.00050 0.00102 -0.00055 0.00048 2.59981 R15 2.58087 -0.00041 -0.00021 -0.00005 -0.00027 2.58060 R16 2.39893 -0.00063 -0.00090 0.00063 -0.00028 2.39865 R17 2.59926 -0.00027 -0.00012 -0.00052 -0.00064 2.59862 R18 3.53940 0.00020 0.00084 0.00005 0.00089 3.54030 R19 2.57862 -0.00012 -0.00063 0.00080 0.00017 2.57879 R20 2.55602 -0.00017 -0.00048 0.00008 -0.00040 2.55562 R21 2.44941 -0.00032 0.00015 -0.00003 0.00012 2.44953 R22 2.56553 -0.00067 -0.00110 0.00016 -0.00094 2.56460 R23 1.88549 0.00000 -0.00001 0.00002 0.00002 1.88550 R24 2.50842 -0.00042 -0.00246 0.00120 -0.00126 2.50716 R25 2.03642 0.00006 -0.00009 0.00008 -0.00001 2.03641 R26 2.74357 0.00006 0.00157 -0.00088 0.00070 2.74426 R27 2.73782 -0.00008 0.00004 -0.00017 -0.00013 2.73769 R28 2.04576 0.00008 -0.00109 0.00106 -0.00004 2.04572 R29 2.03512 0.00012 0.00189 -0.00116 0.00073 2.03586 R30 2.05223 -0.00026 -0.00151 0.00046 -0.00105 2.05119 R31 2.04775 0.00001 0.00042 -0.00012 0.00030 2.04804 R32 2.05170 -0.00012 -0.00087 0.00027 -0.00060 2.05110 R33 2.04251 0.00010 0.00009 0.00003 0.00012 2.04263 A1 1.97333 0.00032 0.00200 -0.00133 0.00068 1.97401 A2 1.95565 -0.00054 -0.00343 0.00098 -0.00245 1.95320 A3 1.90917 0.00013 0.00165 0.00000 0.00166 1.91083 A4 1.95246 -0.00000 -0.00027 -0.00004 -0.00031 1.95215 A5 1.84454 0.00009 0.00173 -0.00071 0.00104 1.84558 A6 1.81809 0.00002 -0.00159 0.00120 -0.00039 1.81770 A7 1.89898 0.00017 0.00204 -0.00055 0.00149 1.90046 A8 1.92323 0.00001 -0.00031 0.00036 0.00006 1.92329 A9 1.95201 -0.00012 -0.00124 -0.00004 -0.00129 1.95072 A10 1.90090 -0.00009 -0.00046 0.00035 -0.00011 1.90080 A11 1.89574 0.00004 0.00048 -0.00010 0.00038 1.89611 A12 1.89222 -0.00000 -0.00051 -0.00000 -0.00051 1.89170 A13 1.92615 0.00051 0.00203 -0.00067 0.00136 1.92751 A14 2.04247 -0.00053 0.00059 -0.00112 -0.00053 2.04194 A15 2.27536 0.00020 0.00093 -0.00040 0.00053 2.27589 A16 2.10012 -0.00013 -0.00068 0.00012 -0.00055 2.09957 A17 1.90770 -0.00007 -0.00026 0.00027 0.00001 1.90771 A18 2.27870 0.00011 0.00020 0.00021 0.00041 2.27912 A19 2.07701 0.00002 -0.00002 -0.00027 -0.00029 2.07672 A20 1.92748 -0.00013 -0.00019 0.00006 -0.00013 1.92735 A21 1.81788 0.00004 -0.00021 0.00023 0.00001 1.81790 A22 2.00388 -0.00003 0.00020 -0.00018 0.00002 2.00390 A23 2.14727 0.00020 -0.00011 0.00013 0.00002 2.14729 A24 2.13180 -0.00017 -0.00001 0.00005 0.00005 2.13185 A25 2.28293 -0.00075 -0.00156 0.00058 -0.00096 2.28197 A26 2.17965 0.00056 0.00152 -0.00057 0.00097 2.18063 A27 1.82019 0.00019 0.00024 0.00001 0.00026 1.82045 A28 1.85528 -0.00008 -0.00002 -0.00013 -0.00015 1.85513 A29 2.24015 0.00005 0.00032 -0.00005 0.00028 2.24043 A30 2.18763 0.00003 -0.00026 0.00015 -0.00010 2.18753 A31 1.97761 -0.00008 -0.00006 0.00002 -0.00004 1.97757 A32 2.17033 0.00009 0.00135 -0.00015 0.00120 2.17154 A33 1.96894 -0.00021 -0.00095 -0.00002 -0.00097 1.96796 A34 2.14387 0.00013 -0.00037 0.00015 -0.00022 2.14365 A35 2.21988 -0.00004 0.00043 -0.00016 0.00027 2.22015 A36 2.02510 -0.00012 -0.00090 0.00024 -0.00066 2.02444 A37 2.03820 0.00015 0.00046 -0.00007 0.00039 2.03859 A38 2.14803 0.00026 -0.00503 0.00441 -0.00063 2.14740 A39 2.12281 -0.00004 0.00212 -0.00188 0.00024 2.12305 A40 2.01234 -0.00021 0.00291 -0.00254 0.00037 2.01271 A41 2.11254 0.00041 -0.00622 0.00666 0.00072 2.11325 A42 2.11327 -0.00032 0.00298 -0.00189 0.00132 2.11459 A43 2.04257 -0.00006 0.00787 -0.00551 0.00259 2.04515 A44 1.89909 0.00031 -0.00129 0.00267 0.00138 1.90047 A45 1.91226 0.00023 0.00341 -0.00132 0.00208 1.91435 A46 1.93920 -0.00055 -0.00069 -0.00268 -0.00338 1.93583 A47 1.91202 -0.00015 -0.00116 0.00093 -0.00024 1.91179 A48 1.89979 0.00004 0.00209 -0.00180 0.00029 1.90008 A49 1.90131 0.00013 -0.00237 0.00224 -0.00014 1.90118 A50 1.92195 0.00006 0.00286 -0.00147 0.00139 1.92334 A51 1.93499 -0.00005 -0.00144 0.00036 -0.00107 1.93391 A52 1.92162 0.00010 -0.00069 0.00084 0.00015 1.92177 A53 1.89454 -0.00002 0.00047 -0.00048 -0.00001 1.89452 A54 1.89556 -0.00013 -0.00048 -0.00013 -0.00062 1.89494 A55 1.89438 0.00003 -0.00074 0.00089 0.00015 1.89453 D1 0.96657 0.00024 0.00276 -0.00100 0.00176 0.96833 D2 3.04954 0.00024 0.00328 -0.00069 0.00258 3.05213 D3 -1.12760 0.00015 0.00160 -0.00048 0.00112 -1.12648 D4 -3.09073 0.00004 0.00116 -0.00133 -0.00017 -3.09090 D5 -1.00775 0.00004 0.00167 -0.00103 0.00065 -1.00711 D6 1.09829 -0.00004 -0.00000 -0.00082 -0.00082 1.09747 D7 -1.08371 -0.00017 -0.00176 0.00071 -0.00106 -1.08476 D8 0.99926 -0.00016 -0.00125 0.00101 -0.00024 0.99903 D9 3.10531 -0.00025 -0.00293 0.00122 -0.00170 3.10360 D10 0.98243 -0.00031 -0.00272 0.00440 0.00168 0.98411 D11 -1.24513 0.00017 0.00054 0.00420 0.00474 -1.24039 D12 3.07025 0.00010 0.00159 0.00319 0.00478 3.07503 D13 -1.21207 0.00001 -0.00233 0.00329 0.00096 -1.21110 D14 1.96532 -0.00013 -0.01649 0.00226 -0.01423 1.95109 D15 1.02493 -0.00001 -0.00266 0.00226 -0.00040 1.02453 D16 -2.08087 -0.00014 -0.01683 0.00123 -0.01560 -2.09647 D17 3.00917 0.00011 -0.00163 0.00208 0.00045 3.00962 D18 -0.09663 -0.00003 -0.01580 0.00105 -0.01474 -0.11138 D19 0.18453 -0.00023 -0.04363 0.00935 -0.03428 0.15025 D20 -2.96666 -0.00018 -0.04042 0.00742 -0.03301 -2.99966 D21 -3.07808 -0.00007 -0.01460 0.00618 -0.00843 -3.08651 D22 0.05971 -0.00024 -0.01331 0.00128 -0.01204 0.04767 D23 0.00508 -0.00005 -0.00130 -0.00189 -0.00318 0.00189 D24 -3.13731 -0.00004 -0.00232 -0.00091 -0.00324 -3.14055 D25 -3.13712 0.00002 0.00017 0.00170 0.00187 -3.13525 D26 0.00368 0.00002 -0.00086 0.00268 0.00182 0.00550 D27 3.13824 0.00004 0.00240 -0.00005 0.00235 3.14059 D28 -0.00740 0.00005 0.00138 0.00189 0.00327 -0.00413 D29 -0.00282 -0.00001 0.00111 -0.00322 -0.00211 -0.00493 D30 3.13472 -0.00001 0.00009 -0.00127 -0.00119 3.13353 D31 -3.13652 -0.00001 -0.00125 0.00163 0.00039 -3.13613 D32 0.00581 -0.00001 -0.00029 0.00072 0.00044 0.00625 D33 3.13164 0.00002 0.00247 -0.00222 0.00025 3.13188 D34 0.00694 -0.00004 -0.00126 -0.00036 -0.00163 0.00532 D35 -0.01060 0.00003 0.00163 -0.00143 0.00020 -0.01040 D36 -3.13529 -0.00004 -0.00210 0.00043 -0.00167 -3.13696 D37 0.00136 -0.00001 -0.00124 0.00029 -0.00095 0.00041 D38 -3.11715 -0.00018 -0.00626 0.00054 -0.00572 -3.12287 D39 -3.11909 -0.00010 -0.00975 -0.00202 -0.01178 -3.13088 D40 -0.00780 0.00002 0.00225 -0.00116 0.00109 -0.00671 D41 -0.00036 0.00008 -0.00478 -0.00227 -0.00706 -0.00742 D42 3.11094 0.00020 0.00722 -0.00141 0.00581 3.11675 D43 3.12425 0.00006 0.00886 0.00231 0.01114 3.13539 D44 -0.03359 0.00012 0.01245 0.00052 0.01295 -0.02064 D45 0.01061 -0.00003 -0.00220 0.00149 -0.00071 0.00991 D46 3.13596 0.00004 0.00139 -0.00030 0.00110 3.13706 D47 -0.01788 0.00005 0.00310 -0.00192 0.00118 -0.01671 D48 -3.13959 -0.00003 -0.00129 0.00027 -0.00103 -3.14062 D49 -3.13411 0.00002 0.00077 -0.00058 0.00018 -3.13393 D50 0.01801 -0.00003 -0.00275 0.00154 -0.00121 0.01680 D51 -3.14123 -0.00003 -0.00234 0.00305 0.00071 -3.14052 D52 0.00444 -0.00003 -0.00130 0.00109 -0.00022 0.00422 D53 -0.00907 0.00002 0.00081 0.00116 0.00197 -0.00710 D54 3.13660 0.00002 0.00185 -0.00081 0.00104 3.13764 D55 -0.03058 -0.00012 0.00612 -0.00367 0.00258 -0.02800 D56 -2.98262 -0.00031 -0.03123 0.00164 -0.02971 -3.01233 D57 3.11460 0.00004 0.00491 0.00094 0.00598 3.12058 D58 0.16256 -0.00015 -0.03244 0.00626 -0.02631 0.13624 D59 2.60590 -0.00003 0.11581 -0.09847 0.01730 2.62321 D60 0.51585 -0.00017 0.11598 -0.10042 0.01551 0.53135 D61 -1.58593 -0.00013 0.11715 -0.10063 0.01647 -1.56946 D62 -0.71785 0.00012 0.15144 -0.10326 0.04823 -0.66962 D63 -2.80791 -0.00002 0.15161 -0.10521 0.04644 -2.76147 D64 1.37349 0.00003 0.15278 -0.10542 0.04741 1.42090 D65 -2.27519 0.00011 0.05589 -0.02551 0.03023 -2.24495 D66 1.91104 0.00013 0.05436 -0.02418 0.03004 1.94108 D67 -0.18549 0.00005 0.05666 -0.02607 0.03044 -0.15505 D68 1.04865 -0.00013 0.02086 -0.02166 -0.00066 1.04799 D69 -1.04831 -0.00011 0.01933 -0.02033 -0.00086 -1.04916 D70 3.13835 -0.00018 0.02163 -0.02223 -0.00045 3.13789 Item Value Threshold Converged? Maximum Force 0.000746 0.000450 NO RMS Force 0.000210 0.000300 YES Maximum Displacement 0.133787 0.001800 NO RMS Displacement 0.030773 0.001200 NO Predicted change in Energy=-1.525687D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.200583 -4.810302 2.254385 2 6 0 7.181753 -4.997934 3.765271 3 8 0 7.436991 -5.986979 1.563637 4 7 0 7.657826 0.085785 0.333166 5 8 0 3.266898 -0.912675 -0.010486 6 6 0 4.322733 -1.342823 0.345445 7 6 0 4.665240 -2.617828 0.919004 8 7 0 3.877253 -3.704853 1.219276 9 6 0 4.687811 -4.550129 1.708824 10 7 0 5.994628 -4.126835 1.772359 11 6 0 5.967237 -2.868003 1.246214 12 7 0 7.038304 -2.053606 1.110253 13 6 0 6.746532 -0.906436 0.581953 14 7 0 5.483759 -0.561167 0.224205 15 1 0 8.003680 -4.147518 1.985225 16 1 0 8.113158 -5.458576 4.073243 17 1 0 7.083814 -4.038695 4.260272 18 6 0 8.897215 -0.208964 0.489334 19 35 0 4.164156 -6.256971 2.276508 20 1 0 5.360525 0.346369 -0.171681 21 1 0 6.361994 -5.630383 4.081057 22 1 0 6.794679 -6.644150 1.799190 23 7 0 9.875241 0.675122 0.340738 24 1 0 9.212075 -1.203422 0.759873 25 6 0 9.594136 2.045802 -0.047982 26 6 0 11.265078 0.267326 0.369838 27 1 0 10.352829 2.692416 0.374137 28 1 0 8.625527 2.336862 0.323124 29 1 0 9.603823 2.151973 -1.128175 30 1 0 11.819601 0.877975 1.072824 31 1 0 11.718203 0.372074 -0.610873 32 1 0 11.342720 -0.766456 0.675842 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522609 0.000000 3 O 1.384771 2.427045 0.000000 4 N 5.279377 6.152251 6.200104 0.000000 5 O 5.982893 6.802336 6.753969 4.516112 0.000000 6 C 4.893820 5.764463 5.722829 3.628211 1.194363 7 C 3.608067 4.483189 4.410140 4.075328 2.393086 8 N 3.652121 4.367365 4.242454 5.426496 3.111447 9 C 2.584444 3.263319 3.105416 5.674956 4.266859 10 N 1.467584 2.477858 2.363072 4.752228 4.577103 11 C 2.511986 3.515296 3.462505 3.523722 3.562925 12 N 2.989104 3.967212 3.979439 2.358954 4.096497 13 C 4.271224 5.202239 5.220379 1.369983 3.529714 14 N 5.012411 5.925136 5.920188 2.270900 2.256793 15 H 1.075497 2.137133 1.970404 4.557386 6.073234 16 H 2.135720 1.083768 2.652270 6.703391 7.799250 17 H 2.152346 1.083862 3.345502 5.723897 6.525352 18 C 5.212127 6.050521 6.055728 1.283492 5.696096 19 Br 3.363515 3.592698 3.360436 7.497524 5.881914 20 H 5.988561 6.883171 6.887259 2.366509 2.448357 21 H 2.170829 1.082459 2.760468 6.957043 6.969728 22 H 1.932605 2.593324 0.948643 6.941634 6.969216 23 N 6.395757 7.153032 7.198898 2.294407 6.805487 24 H 4.391953 5.249091 5.165209 2.063934 6.001926 25 C 7.618146 8.365089 8.472082 2.781409 6.984837 26 C 6.771554 7.478334 7.429384 3.612004 8.093698 27 H 8.352411 8.983151 9.233035 3.749567 7.959589 28 H 7.539375 8.229951 8.499284 2.450284 6.275803 29 H 8.104970 8.996300 8.842147 3.192422 7.127267 30 H 7.422122 7.955200 8.159397 4.300585 8.805039 31 H 7.448195 8.280519 7.968364 4.178497 8.569458 32 H 6.000148 6.690562 6.580027 3.797655 8.106252 6 7 8 9 10 6 C 0.000000 7 C 1.439416 0.000000 8 N 2.557580 1.375758 0.000000 9 C 3.504125 2.087609 1.269312 0.000000 10 N 3.547116 2.184625 2.228732 1.375131 0.000000 11 C 2.417012 1.365595 2.251461 2.163443 1.364637 12 N 2.909376 2.446703 3.568018 3.480766 2.413694 13 C 2.474100 2.715556 4.058335 4.334128 3.514739 14 N 1.404873 2.320038 3.667941 4.330063 3.920683 15 H 4.909639 3.823867 4.220193 3.351639 2.020403 16 H 6.723334 5.468749 5.400330 4.260136 3.399378 17 H 5.497014 4.362618 4.431833 3.537271 2.717316 18 C 4.715106 4.888441 6.160688 6.168626 5.041911 19 Br 5.282329 3.916282 2.777294 1.873444 2.853468 20 H 2.048854 3.234112 4.532908 5.288150 4.918427 21 H 6.041237 4.685407 4.251047 3.097956 2.779515 22 H 6.027268 4.639020 4.181763 2.971866 2.641530 23 N 5.907831 6.190478 7.478761 7.488947 6.337782 24 H 4.908854 4.764407 5.910037 5.707006 4.463567 25 C 6.278953 6.854089 8.207237 8.406230 7.373706 26 C 7.126663 7.223819 8.430879 8.262034 7.003810 27 H 7.255759 7.800273 9.141794 9.291301 8.212863 28 H 5.661680 6.370864 7.736376 8.053348 7.127502 29 H 6.501928 7.164604 8.520948 8.782591 7.801462 30 H 7.852646 7.964244 9.170859 8.985056 7.711535 31 H 7.651692 7.811807 9.025036 8.890190 7.660240 32 H 7.051352 6.933646 8.041311 7.724703 6.410661 11 12 13 14 15 11 C 0.000000 12 N 1.352374 0.000000 13 C 2.212756 1.296237 0.000000 14 N 2.568997 2.330036 1.357126 0.000000 15 H 2.516028 2.466170 3.748894 4.723675 0.000000 16 H 4.394103 4.639875 5.897351 6.761172 2.467930 17 H 3.420791 3.723610 4.843019 5.562663 2.456386 18 C 4.028415 2.691429 2.262848 3.441805 4.306774 19 Br 3.974633 5.223903 6.178059 6.196409 4.390511 20 H 3.565209 3.196588 2.014572 0.997764 5.642121 21 H 3.977803 4.698554 5.891288 6.429896 3.047382 22 H 3.905090 4.648343 5.865607 6.418861 2.780192 23 N 5.352207 4.010775 3.514019 4.563672 5.428161 24 H 3.679176 2.360267 2.489730 3.820965 3.410192 25 C 6.242982 4.967790 4.149865 4.874995 6.709747 26 C 6.218155 4.878582 4.673325 5.842196 5.721629 27 H 7.135279 5.835467 5.099049 5.857997 7.409373 28 H 5.916859 4.734454 3.757206 4.275402 6.722831 29 H 6.637970 5.411039 4.521340 5.115172 7.206754 30 H 6.950725 5.608597 5.400102 6.552417 6.375681 31 H 6.857148 5.545056 5.270193 6.358977 6.400321 32 H 5.799796 4.513697 4.599277 5.879927 4.929021 16 17 18 19 20 16 H 0.000000 17 H 1.763687 0.000000 18 C 6.404496 5.672322 0.000000 19 Br 4.411384 4.168989 7.885064 0.000000 20 H 7.700244 6.468440 3.640538 7.143461 0.000000 21 H 1.759589 1.756876 6.979943 2.911958 7.403397 22 H 2.883625 3.595681 6.895506 2.701368 7.403276 23 N 7.393158 6.736088 1.326734 9.187906 4.555580 24 H 5.503852 4.982075 1.077624 7.302057 4.254889 25 C 8.688699 7.866631 2.420409 10.189406 4.563643 26 C 7.512374 7.152641 2.418244 9.829799 5.929860 27 H 9.227036 8.431866 3.248091 11.045824 5.543010 28 H 8.665724 7.650212 2.565672 9.877930 3.855792 29 H 9.337949 8.585463 2.947822 10.577911 4.709636 30 H 7.930455 7.533999 3.172102 10.533857 6.599322 31 H 8.302636 8.041175 3.083185 10.456808 6.372882 32 H 6.632374 6.457086 2.515169 9.178217 6.143560 21 22 23 24 25 21 H 0.000000 22 H 2.534139 0.000000 23 N 8.129716 8.073952 0.000000 24 H 6.225048 6.043634 2.035777 0.000000 25 C 9.296211 9.314735 1.452201 3.369875 0.000000 26 C 8.520350 8.354402 1.448721 2.555396 2.475802 27 H 9.946709 10.092705 2.073327 4.077704 1.082548 28 H 9.095199 9.283823 2.079296 3.615024 1.077329 29 H 9.910128 9.686720 2.100586 3.869995 1.085441 30 H 9.010753 9.075231 2.087495 3.351021 2.751858 31 H 9.313038 8.903757 2.096166 3.262178 2.762223 32 H 7.749897 7.516241 2.084211 2.176614 3.389729 26 27 28 29 30 26 C 0.000000 27 H 2.590999 0.000000 28 H 3.354458 1.764254 0.000000 29 H 2.925013 1.763528 1.759976 0.000000 30 H 1.083778 2.435524 3.590613 3.373001 0.000000 31 H 1.085398 2.866789 3.781188 2.811805 1.760980 32 H 1.080913 3.610361 4.139822 3.846488 1.757602 31 32 31 H 0.000000 32 H 1.758657 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.263218 -1.941891 0.029182 2 6 0 -1.792262 -2.503393 1.341876 3 8 0 -1.897779 -2.469879 -1.082642 4 7 0 3.350796 0.623485 0.068381 5 8 0 0.200982 3.858955 -0.006930 6 6 0 0.359031 2.675171 0.006415 7 6 0 -0.603878 1.605284 -0.001810 8 7 0 -1.978949 1.638933 -0.029314 9 6 0 -2.319733 0.416285 -0.016987 10 7 0 -1.272602 -0.474380 0.017927 11 6 0 -0.158992 0.314357 0.018992 12 7 0 1.116630 -0.133443 0.053290 13 6 0 1.995103 0.819698 0.047185 14 7 0 1.655041 2.133403 0.029067 15 1 0 -0.224424 -2.198943 -0.078169 16 1 0 -1.715873 -3.584186 1.317308 17 1 0 -1.205624 -2.128629 2.172638 18 6 0 3.767297 -0.582016 -0.075311 19 35 0 -4.105736 -0.146635 -0.072695 20 1 0 2.404414 2.792170 0.029256 21 1 0 -2.827619 -2.233381 1.505726 22 1 0 -2.834529 -2.331043 -1.026521 23 7 0 5.049664 -0.916493 -0.012991 24 1 0 3.086028 -1.398468 -0.250099 25 6 0 6.077513 0.088706 0.191927 26 6 0 5.491046 -2.257762 -0.336982 27 1 0 6.909722 -0.362921 0.716685 28 1 0 5.679636 0.900290 0.778154 29 1 0 6.431423 0.479986 -0.756667 30 1 0 6.112510 -2.649875 0.459639 31 1 0 6.065967 -2.262596 -1.257597 32 1 0 4.638008 -2.909948 -0.460889 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5656905 0.1450264 0.1184820 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.3466988611 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.40D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 0.000460 -0.000199 0.000064 Ang= 0.06 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58121951 A.U. after 12 cycles NFock= 12 Conv=0.51D-08 -V/T= 2.0038 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 0.000576085 -0.000768665 -0.000142552 2 6 -0.000183021 0.000105484 -0.000045791 3 8 -0.000532154 0.000042241 0.000184751 4 7 -0.000095108 -0.000011898 -0.000208341 5 8 -0.000057244 0.000158230 0.000209423 6 6 -0.000060250 -0.000702690 -0.000552554 7 6 0.000291514 0.000543231 -0.000115273 8 7 0.000134183 -0.000540888 0.000325273 9 6 -0.000343558 0.000265716 -0.000115055 10 7 0.000133487 0.000569917 -0.000376138 11 6 -0.000245833 -0.000021408 0.000456826 12 7 -0.000051682 -0.000014898 -0.000200464 13 6 -0.000118881 -0.000002682 0.000190291 14 7 0.000450574 0.000172966 0.000208435 15 1 -0.000115183 0.000220947 0.000044158 16 1 0.000021705 0.000057340 0.000044292 17 1 0.000012683 -0.000003151 0.000002449 18 6 0.000253418 0.000316840 0.000557296 19 35 -0.000005617 -0.000051885 0.000030721 20 1 -0.000062263 -0.000016227 0.000013546 21 1 -0.000016655 0.000013275 0.000002583 22 1 0.000261261 -0.000004342 -0.000113546 23 7 -0.000328581 -0.000242865 -0.000153275 24 1 0.000058990 -0.000009002 -0.000125691 25 6 0.000024713 -0.000037946 -0.000077671 26 6 -0.000108875 0.000004990 -0.000099994 27 1 -0.000060825 -0.000040555 0.000068406 28 1 0.000030936 -0.000081843 -0.000014542 29 1 0.000084682 0.000109057 -0.000027731 30 1 -0.000032752 -0.000016909 -0.000008733 31 1 0.000060693 -0.000005316 0.000010785 32 1 0.000023557 -0.000007065 0.000028116 ------------------------------------------------------------------- Cartesian Forces: Max 0.000768665 RMS 0.000234750 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000468370 RMS 0.000107162 Search for a local minimum. Step number 33 out of a maximum of 168 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 27 28 29 30 31 32 33 DE= -3.21D-05 DEPred=-1.53D-05 R= 2.10D+00 TightC=F SS= 1.41D+00 RLast= 1.26D-01 DXNew= 2.1808D+00 3.7702D-01 Trust test= 2.10D+00 RLast= 1.26D-01 DXMaxT set to 1.30D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 -1 ITU= -1 1 -1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00029 0.00233 0.00305 0.00545 0.00705 Eigenvalues --- 0.01078 0.01657 0.01715 0.01754 0.01876 Eigenvalues --- 0.01903 0.02143 0.02367 0.02598 0.02649 Eigenvalues --- 0.03292 0.03779 0.04275 0.05247 0.05501 Eigenvalues --- 0.05690 0.05816 0.06225 0.06611 0.07270 Eigenvalues --- 0.07632 0.07677 0.07775 0.08072 0.09036 Eigenvalues --- 0.15376 0.15627 0.15961 0.15993 0.16013 Eigenvalues --- 0.16027 0.16032 0.16108 0.16224 0.16483 Eigenvalues --- 0.16939 0.17413 0.18935 0.19815 0.21431 Eigenvalues --- 0.22298 0.23559 0.23658 0.24384 0.24591 Eigenvalues --- 0.24847 0.24943 0.25454 0.25824 0.27802 Eigenvalues --- 0.29302 0.30517 0.32534 0.32615 0.33672 Eigenvalues --- 0.33743 0.33749 0.33753 0.33785 0.33832 Eigenvalues --- 0.33887 0.33994 0.34487 0.34844 0.37166 Eigenvalues --- 0.38440 0.39367 0.40752 0.41200 0.42006 Eigenvalues --- 0.43783 0.44600 0.47598 0.48650 0.49026 Eigenvalues --- 0.49577 0.50807 0.52174 0.54306 0.56235 Eigenvalues --- 0.61354 0.69901 0.72739 0.80027 0.87636 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 33 32 31 30 29 28 27 26 25 24 RFO step: Lambda=-8.15716874D-05. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. RFO-DIIS uses 5 points instead of 10 DidBck=T Rises=F RFO-DIIS coefs: 0.29782 1.00582 -2.00000 -0.13340 1.82975 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.03733293 RMS(Int)= 0.00174392 Iteration 2 RMS(Cart)= 0.00184048 RMS(Int)= 0.00004188 Iteration 3 RMS(Cart)= 0.00000431 RMS(Int)= 0.00004175 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00004175 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87731 -0.00002 0.00020 -0.00012 0.00008 2.87739 R2 2.61684 -0.00011 -0.00018 -0.00151 -0.00169 2.61515 R3 2.77333 0.00017 0.00012 0.00099 0.00111 2.77444 R4 2.03240 0.00004 -0.00005 0.00016 0.00011 2.03251 R5 2.04802 0.00001 -0.00003 0.00004 0.00001 2.04804 R6 2.04820 -0.00000 0.00005 -0.00005 0.00001 2.04821 R7 2.04555 0.00001 -0.00002 0.00025 0.00023 2.04578 R8 1.79268 -0.00020 0.00004 -0.00030 -0.00026 1.79242 R9 2.58889 -0.00007 -0.00016 -0.00045 -0.00061 2.58829 R10 2.42545 0.00003 0.00027 0.00003 0.00029 2.42574 R11 2.25702 0.00005 0.00007 0.00001 0.00008 2.25710 R12 2.72010 -0.00027 0.00020 -0.00082 -0.00062 2.71948 R13 2.65482 0.00021 -0.00057 0.00077 0.00020 2.65503 R14 2.59981 0.00030 -0.00032 0.00094 0.00061 2.60042 R15 2.58060 -0.00014 -0.00019 -0.00014 -0.00034 2.58026 R16 2.39865 -0.00047 0.00025 -0.00075 -0.00049 2.39816 R17 2.59862 0.00008 -0.00034 -0.00008 -0.00041 2.59821 R18 3.54030 0.00006 0.00037 0.00039 0.00076 3.54105 R19 2.57879 -0.00024 0.00047 -0.00054 -0.00007 2.57872 R20 2.55562 -0.00006 -0.00019 -0.00021 -0.00040 2.55521 R21 2.44953 -0.00011 0.00008 0.00007 0.00015 2.44969 R22 2.56460 -0.00023 -0.00002 -0.00078 -0.00080 2.56380 R23 1.88550 -0.00001 0.00002 -0.00004 -0.00002 1.88548 R24 2.50716 -0.00041 -0.00068 -0.00008 -0.00076 2.50640 R25 2.03641 -0.00001 -0.00006 -0.00002 -0.00009 2.03633 R26 2.74426 -0.00005 0.00033 -0.00128 -0.00095 2.74331 R27 2.73769 -0.00005 -0.00037 -0.00021 -0.00058 2.73711 R28 2.04572 -0.00004 -0.00027 0.00126 0.00099 2.04671 R29 2.03586 -0.00005 -0.00003 -0.00109 -0.00112 2.03473 R30 2.05119 0.00004 0.00008 0.00012 0.00021 2.05139 R31 2.04804 -0.00003 0.00025 0.00013 0.00038 2.04842 R32 2.05110 0.00002 -0.00017 -0.00006 -0.00023 2.05087 R33 2.04263 0.00002 -0.00004 0.00008 0.00004 2.04267 A1 1.97401 0.00018 0.00020 0.00106 0.00127 1.97527 A2 1.95320 -0.00028 0.00038 -0.00299 -0.00260 1.95059 A3 1.91083 0.00002 0.00031 0.00116 0.00147 1.91230 A4 1.95215 0.00005 0.00014 -0.00036 -0.00022 1.95192 A5 1.84558 0.00005 -0.00036 0.00173 0.00138 1.84696 A6 1.81770 -0.00003 -0.00083 -0.00036 -0.00118 1.81652 A7 1.90046 0.00006 0.00042 0.00107 0.00150 1.90196 A8 1.92329 -0.00001 0.00052 -0.00043 0.00009 1.92338 A9 1.95072 -0.00000 -0.00069 -0.00054 -0.00122 1.94950 A10 1.90080 -0.00004 0.00009 -0.00033 -0.00024 1.90055 A11 1.89611 0.00000 0.00019 0.00019 0.00038 1.89649 A12 1.89170 -0.00000 -0.00053 0.00003 -0.00050 1.89121 A13 1.92751 0.00034 0.00029 0.00149 0.00178 1.92929 A14 2.04194 -0.00010 0.00011 -0.00047 -0.00036 2.04159 A15 2.27589 0.00009 -0.00014 0.00073 0.00060 2.27650 A16 2.09957 -0.00003 -0.00000 -0.00058 -0.00058 2.09899 A17 1.90771 -0.00006 0.00015 -0.00019 -0.00004 1.90768 A18 2.27912 0.00001 0.00020 0.00011 0.00030 2.27942 A19 2.07672 0.00006 -0.00041 0.00012 -0.00029 2.07643 A20 1.92735 -0.00007 0.00021 -0.00022 -0.00001 1.92734 A21 1.81790 -0.00000 0.00011 -0.00028 -0.00017 1.81773 A22 2.00390 0.00002 -0.00022 0.00035 0.00014 2.00404 A23 2.14729 0.00001 -0.00044 0.00027 -0.00017 2.14712 A24 2.13185 -0.00003 0.00059 -0.00051 0.00008 2.13193 A25 2.28197 -0.00029 0.00046 -0.00143 -0.00101 2.28096 A26 2.18063 0.00024 -0.00059 0.00156 0.00093 2.18156 A27 1.82045 0.00006 0.00021 0.00002 0.00021 1.82066 A28 1.85513 -0.00001 -0.00029 0.00012 -0.00016 1.85497 A29 2.24043 0.00002 0.00033 0.00005 0.00039 2.24081 A30 2.18753 -0.00001 -0.00003 -0.00016 -0.00020 2.18733 A31 1.97757 -0.00001 0.00000 0.00003 0.00004 1.97761 A32 2.17154 0.00005 0.00058 0.00073 0.00131 2.17285 A33 1.96796 -0.00005 -0.00028 -0.00054 -0.00082 1.96715 A34 2.14365 0.00000 -0.00030 -0.00020 -0.00049 2.14316 A35 2.22015 -0.00001 0.00025 0.00016 0.00041 2.22056 A36 2.02444 -0.00006 -0.00011 -0.00089 -0.00099 2.02345 A37 2.03859 0.00006 -0.00014 0.00072 0.00058 2.03918 A38 2.14740 0.00003 -0.00105 0.00476 0.00372 2.15112 A39 2.12305 0.00004 0.00021 -0.00143 -0.00121 2.12184 A40 2.01271 -0.00007 0.00089 -0.00341 -0.00252 2.01019 A41 2.11325 0.00012 -0.00080 0.00913 0.00844 2.12169 A42 2.11459 -0.00007 0.00109 -0.00125 -0.00010 2.11448 A43 2.04515 -0.00004 0.00053 -0.00644 -0.00587 2.03928 A44 1.90047 -0.00007 -0.00136 0.00377 0.00241 1.90288 A45 1.91435 -0.00011 -0.00043 -0.00091 -0.00133 1.91301 A46 1.93583 0.00017 0.00180 -0.00473 -0.00293 1.93290 A47 1.91179 0.00002 0.00026 0.00031 0.00057 1.91236 A48 1.90008 -0.00003 0.00004 -0.00175 -0.00171 1.89837 A49 1.90118 0.00002 -0.00031 0.00332 0.00301 1.90418 A50 1.92334 -0.00005 0.00051 -0.00024 0.00027 1.92361 A51 1.93391 0.00010 -0.00024 -0.00108 -0.00132 1.93260 A52 1.92177 0.00002 -0.00057 0.00199 0.00142 1.92319 A53 1.89452 -0.00002 0.00024 -0.00093 -0.00068 1.89384 A54 1.89494 -0.00002 0.00015 -0.00038 -0.00022 1.89472 A55 1.89453 -0.00003 -0.00010 0.00062 0.00053 1.89505 D1 0.96833 0.00010 0.00040 0.00160 0.00200 0.97033 D2 3.05213 0.00007 0.00108 0.00160 0.00268 3.05480 D3 -1.12648 0.00006 0.00031 0.00099 0.00131 -1.12518 D4 -3.09090 0.00009 0.00108 -0.00054 0.00055 -3.09035 D5 -1.00711 0.00006 0.00176 -0.00054 0.00123 -1.00588 D6 1.09747 0.00004 0.00100 -0.00115 -0.00015 1.09732 D7 -1.08476 -0.00010 0.00048 -0.00200 -0.00151 -1.08627 D8 0.99903 -0.00012 0.00116 -0.00200 -0.00083 0.99820 D9 3.10360 -0.00014 0.00040 -0.00261 -0.00220 3.10140 D10 0.98411 -0.00016 0.00097 0.00161 0.00258 0.98669 D11 -1.24039 0.00003 0.00016 0.00513 0.00528 -1.23510 D12 3.07503 0.00001 0.00126 0.00476 0.00602 3.08105 D13 -1.21110 -0.00006 -0.00281 0.00350 0.00069 -1.21042 D14 1.95109 -0.00011 -0.00901 -0.00752 -0.01653 1.93456 D15 1.02453 0.00000 -0.00210 0.00217 0.00007 1.02460 D16 -2.09647 -0.00005 -0.00829 -0.00885 -0.01714 -2.11361 D17 3.00962 0.00007 -0.00290 0.00384 0.00094 3.01055 D18 -0.11138 0.00002 -0.00910 -0.00719 -0.01628 -0.12766 D19 0.15025 -0.00010 -0.01300 -0.01052 -0.02351 0.12674 D20 -2.99966 -0.00002 -0.01253 -0.01048 -0.02301 -3.02267 D21 -3.08651 -0.00018 -0.00941 0.00419 -0.00522 -3.09173 D22 0.04767 0.00001 0.00215 -0.00933 -0.00718 0.04050 D23 0.00189 0.00012 0.00384 -0.00600 -0.00217 -0.00027 D24 -3.14055 0.00013 0.00474 -0.00645 -0.00172 3.14092 D25 -3.13525 -0.00012 -0.00283 0.00342 0.00059 -3.13466 D26 0.00550 -0.00011 -0.00194 0.00297 0.00104 0.00654 D27 3.14059 -0.00010 -0.00317 0.00477 0.00160 -3.14100 D28 -0.00413 -0.00012 -0.00299 0.00505 0.00205 -0.00208 D29 -0.00493 0.00011 0.00271 -0.00354 -0.00083 -0.00576 D30 3.13353 0.00009 0.00289 -0.00326 -0.00037 3.13316 D31 -3.13613 -0.00006 -0.00004 0.00013 0.00009 -3.13605 D32 0.00625 -0.00007 -0.00088 0.00054 -0.00033 0.00592 D33 3.13188 0.00011 0.00178 -0.00049 0.00130 3.13318 D34 0.00532 0.00002 -0.00046 -0.00101 -0.00146 0.00385 D35 -0.01040 0.00011 0.00251 -0.00085 0.00166 -0.00874 D36 -3.13696 0.00002 0.00027 -0.00137 -0.00110 -3.13806 D37 0.00041 -0.00000 -0.00115 -0.00003 -0.00118 -0.00077 D38 -3.12287 0.00002 0.00202 -0.00654 -0.00452 -3.12739 D39 -3.13088 0.00002 -0.00251 -0.00983 -0.01236 3.13995 D40 -0.00671 0.00007 0.00269 -0.00049 0.00221 -0.00450 D41 -0.00742 0.00000 -0.00566 -0.00337 -0.00905 -0.01647 D42 3.11675 0.00005 -0.00046 0.00597 0.00551 3.12226 D43 3.13539 -0.00007 0.00191 0.00937 0.01126 -3.13653 D44 -0.02064 0.00002 0.00407 0.00987 0.01392 -0.00672 D45 0.00991 -0.00011 -0.00297 0.00077 -0.00219 0.00771 D46 3.13706 -0.00002 -0.00082 0.00128 0.00046 3.13752 D47 -0.01671 0.00009 0.00238 -0.00107 0.00132 -0.01539 D48 -3.14062 -0.00002 -0.00025 -0.00168 -0.00193 3.14063 D49 -3.13393 0.00000 -0.00115 0.00078 -0.00037 -3.13430 D50 0.01680 -0.00009 -0.00167 0.00074 -0.00093 0.01587 D51 -3.14052 -0.00010 -0.00139 0.00174 0.00034 -3.14018 D52 0.00422 -0.00007 -0.00157 0.00146 -0.00011 0.00411 D53 -0.00710 -0.00001 -0.00094 0.00179 0.00085 -0.00625 D54 3.13764 0.00001 -0.00111 0.00151 0.00040 3.13804 D55 -0.02800 0.00009 0.00954 -0.00944 0.00026 -0.02773 D56 -3.01233 0.00006 0.00064 -0.01995 -0.01947 -3.03180 D57 3.12058 -0.00010 -0.00134 0.00328 0.00210 3.12268 D58 0.13624 -0.00013 -0.01024 -0.00723 -0.01762 0.11862 D59 2.62321 -0.00012 0.01515 -0.12869 -0.11358 2.50963 D60 0.53135 -0.00004 0.01592 -0.13082 -0.11494 0.41641 D61 -1.56946 -0.00009 0.01544 -0.13134 -0.11595 -1.68541 D62 -0.66962 -0.00009 0.02392 -0.11819 -0.09422 -0.76384 D63 -2.76147 -0.00001 0.02469 -0.12032 -0.09559 -2.85706 D64 1.42090 -0.00007 0.02420 -0.12085 -0.09660 1.32430 D65 -2.24495 0.00003 0.01954 0.00205 0.02143 -2.22353 D66 1.94108 0.00004 0.01905 0.00406 0.02296 1.96403 D67 -0.15505 -0.00001 0.01969 0.00269 0.02222 -0.13283 D68 1.04799 -0.00001 0.01063 -0.00941 0.00137 1.04937 D69 -1.04916 -0.00001 0.01014 -0.00740 0.00290 -1.04626 D70 3.13789 -0.00005 0.01078 -0.00877 0.00217 3.14006 Item Value Threshold Converged? Maximum Force 0.000468 0.000450 NO RMS Force 0.000107 0.000300 YES Maximum Displacement 0.268754 0.001800 NO RMS Displacement 0.037411 0.001200 NO Predicted change in Energy=-3.497209D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.204265 -4.817400 2.238440 2 6 0 7.194134 -4.993211 3.750873 3 8 0 7.429451 -5.999077 1.554297 4 7 0 7.650931 0.084561 0.324642 5 8 0 3.255576 -0.902268 0.029012 6 6 0 4.314013 -1.336805 0.371789 7 6 0 4.660183 -2.615383 0.934264 8 7 0 3.873320 -3.702506 1.238583 9 6 0 4.687906 -4.551760 1.713666 10 7 0 5.996349 -4.132205 1.762027 11 6 0 5.965284 -2.869900 1.244576 12 7 0 7.036720 -2.058001 1.099025 13 6 0 6.741573 -0.907253 0.580271 14 7 0 5.475672 -0.557636 0.239822 15 1 0 8.006721 -4.158533 1.957761 16 1 0 8.125305 -5.454752 4.058224 17 1 0 7.101981 -4.029907 4.239050 18 6 0 8.890513 -0.205505 0.489110 19 35 0 4.166144 -6.258232 2.285510 20 1 0 5.349037 0.351962 -0.150186 21 1 0 6.373221 -5.619882 4.075479 22 1 0 6.784568 -6.651423 1.795615 23 7 0 9.870441 0.674161 0.330733 24 1 0 9.204923 -1.194908 0.777902 25 6 0 9.605426 2.041283 -0.079356 26 6 0 11.259331 0.268312 0.395353 27 1 0 10.296810 2.702545 0.428351 28 1 0 8.595016 2.307165 0.180906 29 1 0 9.737574 2.153795 -1.150942 30 1 0 11.797419 0.886033 1.105207 31 1 0 11.733786 0.366417 -0.575774 32 1 0 11.332406 -0.762687 0.711772 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522651 0.000000 3 O 1.383879 2.427362 0.000000 4 N 5.281227 6.142597 6.210616 0.000000 5 O 5.983476 6.789721 6.762041 4.514463 0.000000 6 C 4.894127 5.751748 5.730711 3.627331 1.194407 7 C 3.608616 4.473059 4.416183 4.075036 2.393150 8 N 3.652109 4.359510 4.244995 5.426556 3.112235 9 C 2.584185 3.259796 3.104222 5.674890 4.267133 10 N 1.468170 2.476192 2.362657 4.752350 4.576863 11 C 2.513085 3.507142 3.468640 3.523709 3.562540 12 N 2.990087 3.958855 3.986677 2.359554 4.096059 13 C 4.272337 5.191588 5.229587 1.369662 3.529318 14 N 5.012794 5.912268 5.929113 2.269662 2.256555 15 H 1.075557 2.138278 1.970692 4.560429 6.074267 16 H 2.136855 1.083774 2.655213 6.696915 7.789348 17 H 2.152451 1.083865 3.345559 5.705505 6.503951 18 C 5.212789 6.036467 6.069168 1.283647 5.696463 19 Br 3.362795 3.593924 3.354252 7.497985 5.882795 20 H 5.989133 6.869754 6.897034 2.365520 2.446995 21 H 2.170097 1.082582 2.759668 6.945646 6.953380 22 H 1.932842 2.596236 0.948506 6.948944 6.973339 23 N 6.395709 7.139964 7.210246 2.296495 6.806806 24 H 4.388423 5.225795 5.180264 2.063341 6.003433 25 C 7.627535 8.364753 8.488291 2.795000 6.999774 26 C 6.760547 7.447749 7.435811 3.613767 8.097195 27 H 8.330056 8.938143 9.230803 3.723609 7.920424 28 H 7.545002 8.246370 8.499317 2.419075 6.231625 29 H 8.154946 9.031975 8.894666 3.288336 7.262789 30 H 7.410158 7.921824 8.166123 4.294764 8.793140 31 H 7.436957 8.249480 7.973958 4.190453 8.593915 32 H 5.984394 6.652726 6.585035 3.797493 8.106838 6 7 8 9 10 6 C 0.000000 7 C 1.439087 0.000000 8 N 2.557749 1.376081 0.000000 9 C 3.503764 2.087532 1.269050 0.000000 10 N 3.546445 2.184326 2.228427 1.374914 0.000000 11 C 2.416367 1.365417 2.251574 2.163422 1.364600 12 N 2.908974 2.446580 3.568049 3.480452 2.413351 13 C 2.474070 2.715733 4.058779 4.334116 3.514573 14 N 1.404981 2.319827 3.668142 4.329644 3.919918 15 H 4.910554 3.824680 4.220211 3.350931 2.020049 16 H 6.713661 5.461522 5.394453 4.257706 3.399134 17 H 5.475515 4.345672 4.419756 3.532371 2.714503 18 C 4.715714 4.888903 6.161408 6.168580 5.041376 19 Br 5.282484 3.916668 2.777326 1.873844 2.853713 20 H 2.048333 3.233526 4.532674 5.287488 4.917654 21 H 6.025147 4.672124 4.239553 3.091816 2.776198 22 H 6.031258 4.641611 4.181119 2.968381 2.639863 23 N 5.909278 6.191296 7.479631 7.488753 6.337061 24 H 4.909792 4.764123 5.909845 5.705046 4.459951 25 C 6.293971 6.867853 8.221017 8.418144 7.384313 26 C 7.128422 7.221834 8.428024 8.255584 6.995093 27 H 7.218961 7.765814 9.107270 9.259415 8.184525 28 H 5.625116 6.346805 7.715519 8.041126 7.121692 29 H 6.627066 7.271386 8.625287 8.869588 7.873751 30 H 7.840936 7.951684 9.157720 8.971342 7.698476 31 H 7.671497 7.823504 9.035206 8.892380 7.656441 32 H 7.050038 6.928243 8.034801 7.714288 6.397671 11 12 13 14 15 11 C 0.000000 12 N 1.352161 0.000000 13 C 2.212670 1.296318 0.000000 14 N 2.568232 2.329420 1.356702 0.000000 15 H 2.517274 2.467907 3.750854 4.724826 0.000000 16 H 4.389051 4.634631 5.889875 6.751482 2.471071 17 H 3.406548 3.708427 4.823643 5.540341 2.457514 18 C 4.028237 2.690778 2.262455 3.441988 4.308649 19 Br 3.975078 5.223973 6.178483 6.196491 4.389327 20 H 3.564480 3.196361 2.014533 0.997753 5.643694 21 H 3.967723 4.688977 5.878864 6.414374 3.047719 22 H 3.908297 4.652778 5.871490 6.424012 2.781088 23 N 5.352170 4.010606 3.514677 4.565039 5.429144 24 H 3.676770 2.355664 2.487951 3.821381 3.407467 25 C 6.254850 4.979052 4.163007 4.889900 6.718885 26 C 6.212607 4.872097 4.671861 5.844407 5.711177 27 H 7.104961 5.808682 5.068868 5.823031 7.393104 28 H 5.903294 4.725029 3.731919 4.235665 6.731162 29 H 6.723555 5.485999 4.619863 5.239264 7.246059 30 H 6.938318 5.597466 5.390085 6.541984 6.367408 31 H 6.860250 5.544834 5.280234 6.378327 6.386312 32 H 5.790529 4.503412 4.594991 5.879295 4.913700 16 17 18 19 20 16 H 0.000000 17 H 1.763540 0.000000 18 C 6.393647 5.646853 0.000000 19 Br 4.411695 4.171437 7.885571 0.000000 20 H 7.690014 6.445074 3.641637 7.143285 0.000000 21 H 1.759934 1.756664 6.965220 2.912501 7.387024 22 H 2.889464 3.597703 6.905926 2.692720 7.409068 23 N 7.382633 6.713238 1.326331 9.187940 4.558311 24 H 5.483828 4.943595 1.077577 7.300646 4.256996 25 C 8.689124 7.859721 2.425347 10.200997 4.579921 26 C 7.482794 7.108604 2.417559 9.822514 5.936008 27 H 9.188738 8.369843 3.230807 11.014973 5.508212 28 H 8.689165 7.671777 2.548689 9.869665 3.803790 29 H 9.360813 8.616063 2.995593 10.658904 4.848440 30 H 7.900018 7.485625 3.165618 10.519981 6.591121 31 H 8.269286 7.997738 3.089543 10.456679 6.398934 32 H 6.595432 6.404133 2.514532 9.166951 6.147041 21 22 23 24 25 21 H 0.000000 22 H 2.535954 0.000000 23 N 8.115951 8.082863 0.000000 24 H 6.202657 6.055362 2.033788 0.000000 25 C 9.295335 9.329303 1.451698 3.371680 0.000000 26 C 8.490479 8.358646 1.448414 2.551068 2.470663 27 H 9.897418 10.084739 2.075008 4.062578 1.083072 28 H 9.107258 9.281233 2.077465 3.604567 1.076735 29 H 9.953111 9.743424 2.098174 3.901022 1.085550 30 H 8.976156 9.078468 2.087569 3.340431 2.746384 31 H 9.284697 8.908890 2.094878 3.265781 2.753456 32 H 7.713650 7.518960 2.084961 2.171951 3.386825 26 27 28 29 30 26 C 0.000000 27 H 2.617829 0.000000 28 H 3.361768 1.764556 0.000000 29 H 2.874339 1.762963 1.761471 0.000000 30 H 1.083979 2.451465 3.623443 3.307627 0.000000 31 H 1.085274 2.920730 3.767087 2.740512 1.760610 32 H 1.080934 3.627756 4.147181 3.810388 1.757642 31 32 31 H 0.000000 32 H 1.758907 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.262086 -1.942220 0.019749 2 6 0 -1.778418 -2.497296 1.340263 3 8 0 -1.908088 -2.471977 -1.083501 4 7 0 3.350348 0.629835 0.056399 5 8 0 0.197443 3.860505 0.008104 6 6 0 0.355987 2.676686 0.014809 7 6 0 -0.605616 1.606130 0.000603 8 7 0 -1.981096 1.638139 -0.024444 9 6 0 -2.319965 0.415177 -0.020066 10 7 0 -1.271714 -0.474151 0.005474 11 6 0 -0.159065 0.315850 0.012126 12 7 0 1.116851 -0.130905 0.040206 13 6 0 1.994501 0.823123 0.039306 14 7 0 1.652679 2.136030 0.030765 15 1 0 -0.224015 -2.198205 -0.097308 16 1 0 -1.703327 -3.578303 1.321551 17 1 0 -1.183961 -2.118385 2.163556 18 6 0 3.768038 -0.577332 -0.070231 19 35 0 -4.105932 -0.149755 -0.069708 20 1 0 2.400737 2.796265 0.033970 21 1 0 -2.811935 -2.224788 1.512213 22 1 0 -2.843800 -2.329687 -1.021370 23 7 0 5.050118 -0.912709 -0.015932 24 1 0 3.085696 -1.397478 -0.221700 25 6 0 6.089768 0.085036 0.160306 26 6 0 5.483237 -2.265772 -0.297948 27 1 0 6.874650 -0.328769 0.781411 28 1 0 5.675963 0.957941 0.635869 29 1 0 6.515434 0.370052 -0.796769 30 1 0 6.098789 -2.638637 0.512656 31 1 0 6.062942 -2.300328 -1.214772 32 1 0 4.627022 -2.916458 -0.407139 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5656528 0.1450146 0.1184321 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.4077001077 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.39D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000695 -0.000129 -0.000067 Ang= 0.08 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58125882 A.U. after 11 cycles NFock= 11 Conv=0.90D-08 -V/T= 2.0038 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 -0.000006562 -0.000110215 -0.000117091 2 6 -0.000155579 -0.000000059 0.000012311 3 8 -0.000046102 -0.000203206 -0.000152988 4 7 0.000169110 0.000021407 -0.000231813 5 8 -0.000098281 0.000156097 0.000421260 6 6 -0.000018061 -0.000673131 -0.001114277 7 6 -0.000064335 0.000372344 0.000019325 8 7 0.000009539 -0.000156001 0.000149284 9 6 -0.000368812 0.000100458 0.000110723 10 7 0.000224075 0.000493491 0.000010258 11 6 -0.000005416 -0.000386938 0.000279880 12 7 0.000129231 0.000032251 -0.000094934 13 6 -0.000160490 0.000066210 0.000256524 14 7 -0.000065779 0.000238187 0.000191462 15 1 0.000041932 0.000020574 0.000119739 16 1 0.000024197 0.000003492 -0.000016169 17 1 0.000041661 0.000023804 -0.000035566 18 6 0.000020441 0.000184220 0.000793260 19 35 -0.000020080 0.000021033 -0.000102457 20 1 0.000022726 -0.000017757 0.000008129 21 1 0.000093149 0.000003540 0.000027320 22 1 0.000176317 0.000008605 0.000046718 23 7 0.000097205 -0.000116037 -0.000324104 24 1 0.000002396 -0.000040197 -0.000215365 25 6 -0.000036493 -0.000042256 -0.000003041 26 6 0.000047276 -0.000033877 0.000045471 27 1 -0.000065062 0.000001109 0.000052006 28 1 -0.000016467 -0.000041180 -0.000019718 29 1 0.000033328 0.000072610 -0.000020738 30 1 -0.000045547 0.000018941 -0.000023640 31 1 0.000058796 -0.000029768 -0.000040547 32 1 -0.000018314 0.000012249 -0.000031220 ------------------------------------------------------------------- Cartesian Forces: Max 0.001114277 RMS 0.000207858 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000321773 RMS 0.000099348 Search for a local minimum. Step number 34 out of a maximum of 168 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 32 33 34 DE= -3.93D-05 DEPred=-3.50D-05 R= 1.12D+00 TightC=F SS= 1.41D+00 RLast= 2.68D-01 DXNew= 2.1808D+00 8.0515D-01 Trust test= 1.12D+00 RLast= 2.68D-01 DXMaxT set to 1.30D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 ITU= -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00030 0.00200 0.00305 0.00465 0.00695 Eigenvalues --- 0.01081 0.01653 0.01718 0.01763 0.01868 Eigenvalues --- 0.01906 0.02142 0.02369 0.02593 0.02663 Eigenvalues --- 0.03271 0.03975 0.04276 0.05495 0.05588 Eigenvalues --- 0.05784 0.05953 0.06445 0.06677 0.07040 Eigenvalues --- 0.07639 0.07692 0.07772 0.08130 0.09075 Eigenvalues --- 0.15305 0.15603 0.15894 0.15986 0.16012 Eigenvalues --- 0.16017 0.16027 0.16107 0.16234 0.16493 Eigenvalues --- 0.16800 0.17408 0.18924 0.19655 0.21423 Eigenvalues --- 0.22339 0.23545 0.23712 0.24373 0.24795 Eigenvalues --- 0.24849 0.25092 0.25234 0.25821 0.27883 Eigenvalues --- 0.29293 0.30422 0.32289 0.32556 0.33672 Eigenvalues --- 0.33736 0.33750 0.33753 0.33779 0.33824 Eigenvalues --- 0.33870 0.33994 0.34447 0.34809 0.37148 Eigenvalues --- 0.38453 0.39321 0.40753 0.41205 0.41769 Eigenvalues --- 0.43749 0.44557 0.47641 0.48647 0.49388 Eigenvalues --- 0.49545 0.50836 0.52111 0.54312 0.56346 Eigenvalues --- 0.62392 0.69786 0.71978 0.80079 0.87651 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 34 33 32 31 30 29 28 27 26 25 RFO step: Lambda=-4.16056640D-05. DIIS inversion failure, remove point 10. 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 10 DidBck=F Rises=F RFO-DIIS coefs: 1.37248 -0.30038 0.54079 -1.51080 0.24807 RFO-DIIS coefs: 0.64984 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.02969174 RMS(Int)= 0.00143627 Iteration 2 RMS(Cart)= 0.00149067 RMS(Int)= 0.00002918 Iteration 3 RMS(Cart)= 0.00000285 RMS(Int)= 0.00002910 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00002910 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87739 -0.00002 0.00012 0.00005 0.00017 2.87756 R2 2.61515 0.00024 0.00013 -0.00040 -0.00028 2.61487 R3 2.77444 0.00022 -0.00024 0.00039 0.00015 2.77459 R4 2.03251 0.00001 -0.00010 0.00010 0.00000 2.03251 R5 2.04804 0.00001 -0.00010 0.00013 0.00003 2.04807 R6 2.04821 0.00000 0.00006 -0.00004 0.00002 2.04823 R7 2.04578 -0.00006 0.00005 -0.00014 -0.00009 2.04570 R8 1.79242 -0.00011 0.00015 -0.00024 -0.00009 1.79232 R9 2.58829 0.00017 -0.00060 0.00041 -0.00019 2.58809 R10 2.42574 0.00011 0.00014 0.00002 0.00016 2.42590 R11 2.25710 0.00002 0.00008 -0.00005 0.00003 2.25713 R12 2.71948 -0.00009 0.00055 -0.00068 -0.00013 2.71935 R13 2.65503 0.00023 -0.00099 0.00096 -0.00003 2.65500 R14 2.60042 0.00007 -0.00053 0.00070 0.00016 2.60058 R15 2.58026 0.00015 -0.00027 0.00021 -0.00006 2.58020 R16 2.39816 -0.00013 0.00052 -0.00066 -0.00015 2.39801 R17 2.59821 0.00032 -0.00076 0.00103 0.00027 2.59848 R18 3.54105 -0.00004 0.00037 -0.00015 0.00022 3.54127 R19 2.57872 -0.00024 0.00093 -0.00101 -0.00007 2.57865 R20 2.55521 0.00007 -0.00022 0.00016 -0.00006 2.55515 R21 2.44969 0.00001 0.00011 -0.00008 0.00003 2.44972 R22 2.56380 0.00019 0.00004 0.00005 0.00009 2.56388 R23 1.88548 -0.00002 0.00001 -0.00005 -0.00004 1.88544 R24 2.50640 -0.00002 0.00013 0.00013 0.00027 2.50667 R25 2.03633 -0.00002 -0.00005 -0.00003 -0.00008 2.03625 R26 2.74331 0.00000 -0.00085 -0.00007 -0.00092 2.74240 R27 2.73711 0.00005 -0.00061 0.00030 -0.00031 2.73680 R28 2.04671 -0.00002 0.00093 0.00009 0.00102 2.04773 R29 2.03473 0.00000 -0.00137 0.00043 -0.00094 2.03379 R30 2.05139 0.00003 0.00060 -0.00037 0.00023 2.05162 R31 2.04842 -0.00003 0.00025 -0.00007 0.00018 2.04860 R32 2.05087 0.00006 0.00003 0.00005 0.00009 2.05096 R33 2.04267 -0.00002 -0.00003 -0.00003 -0.00006 2.04261 A1 1.97527 -0.00002 -0.00046 0.00089 0.00043 1.97570 A2 1.95059 -0.00001 0.00049 -0.00039 0.00010 1.95069 A3 1.91230 -0.00007 0.00069 -0.00081 -0.00012 1.91218 A4 1.95192 0.00012 0.00007 0.00018 0.00024 1.95216 A5 1.84696 -0.00000 -0.00055 0.00033 -0.00022 1.84674 A6 1.81652 -0.00002 -0.00025 -0.00029 -0.00055 1.81597 A7 1.90196 -0.00005 0.00025 -0.00009 0.00016 1.90212 A8 1.92338 -0.00007 0.00076 -0.00078 -0.00002 1.92336 A9 1.94950 0.00011 -0.00086 0.00086 0.00000 1.94950 A10 1.90055 0.00002 0.00026 -0.00041 -0.00015 1.90040 A11 1.89649 -0.00003 0.00014 -0.00020 -0.00006 1.89643 A12 1.89121 0.00002 -0.00054 0.00060 0.00007 1.89127 A13 1.92929 0.00007 0.00011 -0.00016 -0.00006 1.92923 A14 2.04159 0.00002 -0.00054 0.00031 -0.00023 2.04136 A15 2.27650 -0.00001 -0.00032 0.00035 0.00004 2.27653 A16 2.09899 0.00005 0.00001 -0.00002 -0.00001 2.09898 A17 1.90768 -0.00004 0.00030 -0.00031 -0.00001 1.90767 A18 2.27942 -0.00004 0.00032 -0.00028 0.00004 2.27946 A19 2.07643 0.00011 -0.00067 0.00068 0.00001 2.07644 A20 1.92734 -0.00007 0.00035 -0.00040 -0.00005 1.92728 A21 1.81773 0.00001 0.00007 -0.00000 0.00007 1.81780 A22 2.00404 0.00003 -0.00018 0.00010 -0.00007 2.00397 A23 2.14712 -0.00010 -0.00033 0.00013 -0.00020 2.14692 A24 2.13193 0.00007 0.00047 -0.00024 0.00023 2.13215 A25 2.28096 0.00013 0.00059 -0.00036 0.00019 2.28115 A26 2.18156 -0.00006 -0.00070 0.00056 -0.00017 2.18138 A27 1.82066 -0.00008 0.00022 -0.00022 -0.00001 1.82065 A28 1.85497 0.00011 -0.00045 0.00052 0.00008 1.85505 A29 2.24081 -0.00006 0.00045 -0.00041 0.00004 2.24085 A30 2.18733 -0.00004 0.00001 -0.00011 -0.00010 2.18723 A31 1.97761 0.00003 0.00001 0.00006 0.00007 1.97768 A32 2.17285 -0.00020 0.00075 -0.00062 0.00014 2.17299 A33 1.96715 0.00019 -0.00040 0.00043 0.00004 1.96718 A34 2.14316 0.00001 -0.00036 0.00019 -0.00017 2.14299 A35 2.22056 -0.00004 0.00028 -0.00018 0.00009 2.22065 A36 2.02345 0.00004 -0.00021 0.00004 -0.00018 2.02327 A37 2.03918 0.00000 -0.00006 0.00014 0.00008 2.03926 A38 2.15112 -0.00008 0.00373 -0.00056 0.00317 2.15429 A39 2.12184 0.00003 -0.00165 0.00035 -0.00129 2.12055 A40 2.01019 0.00005 -0.00206 0.00021 -0.00185 2.00834 A41 2.12169 -0.00020 0.00742 -0.00103 0.00644 2.12813 A42 2.11448 0.00008 -0.00051 0.00043 -0.00007 2.11441 A43 2.03928 0.00012 -0.00598 0.00090 -0.00508 2.03419 A44 1.90288 -0.00000 0.00157 0.00126 0.00283 1.90572 A45 1.91301 -0.00007 -0.00208 0.00080 -0.00128 1.91173 A46 1.93290 0.00011 -0.00129 -0.00171 -0.00300 1.92990 A47 1.91236 -0.00000 0.00119 -0.00066 0.00053 1.91290 A48 1.89837 -0.00002 -0.00196 0.00038 -0.00157 1.89680 A49 1.90418 -0.00001 0.00259 -0.00008 0.00250 1.90668 A50 1.92361 -0.00007 -0.00068 0.00013 -0.00056 1.92305 A51 1.93260 0.00008 -0.00040 -0.00020 -0.00060 1.93200 A52 1.92319 -0.00003 0.00068 0.00026 0.00094 1.92413 A53 1.89384 0.00000 -0.00041 -0.00005 -0.00046 1.89338 A54 1.89472 0.00004 0.00006 0.00005 0.00010 1.89482 A55 1.89505 -0.00003 0.00077 -0.00019 0.00058 1.89563 D1 0.97033 -0.00005 -0.00003 -0.00013 -0.00016 0.97017 D2 3.05480 -0.00009 0.00090 -0.00116 -0.00026 3.05454 D3 -1.12518 -0.00005 0.00017 -0.00036 -0.00019 -1.12537 D4 -3.09035 0.00009 0.00009 0.00052 0.00061 -3.08975 D5 -1.00588 0.00004 0.00102 -0.00051 0.00051 -1.00537 D6 1.09732 0.00009 0.00028 0.00029 0.00058 1.09790 D7 -1.08627 0.00002 0.00048 -0.00055 -0.00008 -1.08635 D8 0.99820 -0.00003 0.00141 -0.00159 -0.00018 0.99802 D9 3.10140 0.00002 0.00067 -0.00078 -0.00011 3.10129 D10 0.98669 -0.00002 0.00617 -0.00224 0.00394 0.99063 D11 -1.23510 -0.00009 0.00584 -0.00259 0.00324 -1.23186 D12 3.08105 -0.00012 0.00641 -0.00251 0.00389 3.08495 D13 -1.21042 -0.00006 0.00132 -0.00056 0.00075 -1.20966 D14 1.93456 -0.00002 -0.00952 0.00417 -0.00534 1.92921 D15 1.02460 -0.00000 0.00115 0.00047 0.00162 1.02622 D16 -2.11361 0.00004 -0.00969 0.00520 -0.00448 -2.11809 D17 3.01055 0.00003 0.00040 0.00077 0.00117 3.01172 D18 -0.12766 0.00008 -0.01044 0.00551 -0.00493 -0.13259 D19 0.12674 -0.00004 -0.00985 0.00210 -0.00775 0.11898 D20 -3.02267 0.00008 -0.01045 0.00293 -0.00753 -3.03020 D21 -3.09173 -0.00025 -0.00412 -0.00182 -0.00594 -3.09767 D22 0.04050 0.00009 0.00086 -0.00202 -0.00117 0.03933 D23 -0.00027 0.00022 0.00069 0.00295 0.00364 0.00337 D24 3.14092 0.00022 0.00224 0.00134 0.00359 -3.13868 D25 -3.13466 -0.00018 -0.00053 -0.00177 -0.00230 -3.13696 D26 0.00654 -0.00019 0.00102 -0.00338 -0.00236 0.00418 D27 -3.14100 -0.00018 -0.00203 -0.00031 -0.00234 3.13985 D28 -0.00208 -0.00022 -0.00018 -0.00267 -0.00286 -0.00494 D29 -0.00576 0.00018 -0.00095 0.00385 0.00290 -0.00286 D30 3.13316 0.00014 0.00089 0.00149 0.00238 3.13554 D31 -3.13605 -0.00009 0.00132 -0.00181 -0.00049 -3.13654 D32 0.00592 -0.00008 -0.00013 -0.00031 -0.00044 0.00548 D33 3.13318 0.00013 -0.00004 0.00172 0.00168 3.13486 D34 0.00385 0.00007 -0.00104 0.00140 0.00036 0.00421 D35 -0.00874 0.00012 0.00122 0.00042 0.00164 -0.00710 D36 -3.13806 0.00006 0.00022 0.00009 0.00031 -3.13775 D37 -0.00077 0.00000 -0.00106 0.00008 -0.00099 -0.00176 D38 -3.12739 0.00014 0.00084 0.00085 0.00168 -3.12571 D39 3.13995 0.00010 -0.00732 0.00418 -0.00316 3.13679 D40 -0.00450 0.00007 0.00182 0.00017 0.00200 -0.00251 D41 -0.01647 -0.00004 -0.00920 0.00341 -0.00580 -0.02227 D42 3.12226 -0.00007 -0.00006 -0.00059 -0.00065 3.12162 D43 -3.13653 -0.00014 0.00678 -0.00405 0.00270 -3.13382 D44 -0.00672 -0.00009 0.00774 -0.00375 0.00398 -0.00274 D45 0.00771 -0.00011 -0.00172 -0.00035 -0.00207 0.00564 D46 3.13752 -0.00005 -0.00076 -0.00004 -0.00079 3.13673 D47 -0.01539 0.00010 0.00068 0.00089 0.00158 -0.01382 D48 3.14063 0.00003 -0.00049 0.00051 0.00001 3.14064 D49 -3.13430 0.00001 -0.00113 0.00020 -0.00093 -3.13523 D50 0.01587 -0.00012 -0.00047 -0.00071 -0.00118 0.01469 D51 -3.14018 -0.00014 0.00132 -0.00273 -0.00140 -3.14158 D52 0.00411 -0.00010 -0.00054 -0.00034 -0.00088 0.00323 D53 -0.00625 -0.00002 0.00074 -0.00192 -0.00118 -0.00743 D54 3.13804 0.00002 -0.00112 0.00047 -0.00065 3.13738 D55 -0.02773 0.00019 0.00497 -0.00146 0.00363 -0.02411 D56 -3.03180 0.00014 -0.00360 -0.00416 -0.00787 -3.03966 D57 3.12268 -0.00013 0.00028 -0.00126 -0.00087 3.12181 D58 0.11862 -0.00018 -0.00828 -0.00397 -0.01236 0.10625 D59 2.50963 -0.00010 -0.10646 -0.00166 -0.10814 2.40149 D60 0.41641 -0.00005 -0.10763 -0.00210 -0.10975 0.30666 D61 -1.68541 -0.00006 -0.10867 -0.00143 -0.11013 -1.79554 D62 -0.76384 -0.00006 -0.09776 0.00091 -0.09682 -0.86066 D63 -2.85706 -0.00001 -0.09892 0.00046 -0.09843 -2.95549 D64 1.32430 -0.00002 -0.09996 0.00113 -0.09881 1.22549 D65 -2.22353 0.00001 0.00239 0.00158 0.00386 -2.21966 D66 1.96403 0.00000 0.00360 0.00169 0.00518 1.96922 D67 -0.13283 0.00000 0.00246 0.00189 0.00424 -0.12859 D68 1.04937 -0.00001 -0.00715 -0.00085 -0.00789 1.04147 D69 -1.04626 -0.00002 -0.00594 -0.00074 -0.00657 -1.05283 D70 3.14006 -0.00001 -0.00708 -0.00055 -0.00752 3.13254 Item Value Threshold Converged? Maximum Force 0.000322 0.000450 YES RMS Force 0.000099 0.000300 YES Maximum Displacement 0.222217 0.001800 NO RMS Displacement 0.029729 0.001200 NO Predicted change in Energy=-2.187862D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.205751 -4.818704 2.231908 2 6 0 7.202768 -4.991578 3.744802 3 8 0 7.427757 -6.001275 1.548571 4 7 0 7.644899 0.085733 0.323741 5 8 0 3.247767 -0.898768 0.047901 6 6 0 4.308090 -1.335417 0.382116 7 6 0 4.656275 -2.614568 0.941861 8 7 0 3.870299 -3.701585 1.249219 9 6 0 4.686739 -4.551857 1.719062 10 7 0 5.996002 -4.133585 1.759805 11 6 0 5.962711 -2.870089 1.245514 12 7 0 7.033845 -2.058629 1.095661 13 6 0 6.736608 -0.906405 0.581351 14 7 0 5.469102 -0.555697 0.247886 15 1 0 8.006900 -4.160371 1.946282 16 1 0 8.135316 -5.452594 4.048811 17 1 0 7.113090 -4.027287 4.231516 18 6 0 8.884722 -0.202755 0.489802 19 35 0 4.166845 -6.259546 2.289348 20 1 0 5.340584 0.355124 -0.138587 21 1 0 6.383375 -5.617501 4.074501 22 1 0 6.782026 -6.652145 1.791408 23 7 0 9.867306 0.672873 0.324462 24 1 0 9.198458 -1.191214 0.782381 25 6 0 9.615147 2.039991 -0.091979 26 6 0 11.254850 0.265296 0.402179 27 1 0 10.236120 2.710113 0.490728 28 1 0 8.577920 2.279100 0.066987 29 1 0 9.855166 2.169155 -1.142880 30 1 0 11.789025 0.889638 1.109335 31 1 0 11.735547 0.354129 -0.566820 32 1 0 11.324991 -0.762580 0.729130 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522742 0.000000 3 O 1.383731 2.427661 0.000000 4 N 5.280857 6.138260 6.212812 0.000000 5 O 5.983429 6.786767 6.764607 4.514433 0.000000 6 C 4.894022 5.749289 5.732641 3.627309 1.194423 7 C 3.608637 4.471161 4.418030 4.074993 2.393121 8 N 3.652242 4.358597 4.246609 5.426592 3.112313 9 C 2.584500 3.259966 3.105327 5.674934 4.267139 10 N 1.468251 2.476418 2.362796 4.752240 4.576839 11 C 2.513010 3.504982 3.470234 3.523678 3.562486 12 N 2.989753 3.955841 3.988076 2.359562 4.096031 13 C 4.272062 5.187809 5.231720 1.369560 3.529397 14 N 5.012536 5.908558 5.931478 2.269643 2.256551 15 H 1.075558 2.138273 1.970409 4.559943 6.073817 16 H 2.137064 1.083791 2.655728 6.692512 7.786703 17 H 2.152524 1.083877 3.345719 5.698286 6.498538 18 C 5.211608 6.029662 6.071785 1.283730 5.696927 19 Br 3.363670 3.597626 3.353953 7.498202 5.882749 20 H 5.988871 6.865541 6.899753 2.365625 2.446816 21 H 2.170145 1.082537 2.760134 6.941652 6.950683 22 H 1.932638 2.598126 0.948456 6.949648 6.973676 23 N 6.393719 7.133337 7.210693 2.298658 6.809173 24 H 4.385281 5.215504 5.182578 2.062642 6.002975 25 C 7.631994 8.365610 8.493412 2.806034 7.014229 26 C 6.752049 7.431502 7.431740 3.615265 8.099008 27 H 8.300477 8.894170 9.213805 3.691840 7.877639 28 H 7.546426 8.263179 8.490146 2.397355 6.205622 29 H 8.199924 9.066463 8.938241 3.372966 7.381587 30 H 7.406196 7.910003 8.166901 4.293856 8.790798 31 H 7.423620 8.228777 7.963862 4.195061 8.601747 32 H 5.973159 6.631096 6.580566 3.798297 8.107045 6 7 8 9 10 6 C 0.000000 7 C 1.439018 0.000000 8 N 2.557788 1.376167 0.000000 9 C 3.503753 2.087596 1.268972 0.000000 10 N 3.546381 2.184334 2.228438 1.375057 0.000000 11 C 2.416288 1.365383 2.251575 2.163492 1.364561 12 N 2.908939 2.446541 3.568041 3.480477 2.413224 13 C 2.474156 2.715801 4.058917 4.334244 3.514533 14 N 1.404966 2.319749 3.668167 4.329635 3.919797 15 H 4.910008 3.824272 4.219936 3.350875 2.019704 16 H 6.711442 5.459968 5.393897 4.258138 3.399411 17 H 5.471021 4.342067 4.417678 3.531965 2.714506 18 C 4.715939 4.888861 6.161410 6.168373 5.040738 19 Br 5.282474 3.916775 2.777224 1.873958 2.854110 20 H 2.048195 3.233375 4.532619 5.287422 4.917517 21 H 6.023019 4.670537 4.238928 3.092291 2.776668 22 H 6.031091 4.641399 4.180662 2.967604 2.638556 23 N 5.911128 6.192196 7.480318 7.488724 6.336343 24 H 4.908840 4.762646 5.908399 5.703236 4.457424 25 C 6.307377 6.879256 8.232120 8.427428 7.391912 26 C 7.128826 7.219838 8.425273 8.251013 6.989190 27 H 7.177719 7.725957 9.066910 9.221748 8.150175 28 H 5.603168 6.331879 7.702465 8.033220 7.117195 29 H 6.736296 7.366045 8.718163 8.948483 7.939978 30 H 7.838629 7.948813 9.154514 8.967948 7.695128 31 H 7.676078 7.823387 9.033767 8.887050 7.648212 32 H 7.048792 6.924370 8.029987 7.707462 6.389374 11 12 13 14 15 11 C 0.000000 12 N 1.352128 0.000000 13 C 2.212709 1.296335 0.000000 14 N 2.568136 2.329366 1.356749 0.000000 15 H 2.516866 2.467329 3.750329 4.724261 0.000000 16 H 4.387256 4.631774 5.886212 6.747987 2.471226 17 H 3.402748 3.703442 4.817193 5.533891 2.457418 18 C 4.027893 2.690182 2.262278 3.442318 4.307508 19 Br 3.975317 5.224202 6.178758 6.196558 4.389790 20 H 3.564375 3.196357 2.014608 0.997734 5.643191 21 H 3.965905 4.686382 5.875483 6.410986 3.047685 22 H 3.908098 4.652727 5.871953 6.424400 2.780871 23 N 5.352268 4.010530 3.515876 4.567215 5.426938 24 H 3.674666 2.352892 2.486410 3.820689 3.404462 25 C 6.264029 4.987213 4.173801 4.903346 6.722013 26 C 6.208750 4.868102 4.671134 5.845743 5.702627 27 H 7.068973 5.775933 5.033289 5.783507 7.368283 28 H 5.894268 4.717863 3.715164 4.211123 6.732354 29 H 6.800706 5.553834 4.707169 5.347579 7.281614 30 H 6.935418 5.595016 5.388085 6.540070 6.364553 31 H 6.856075 5.539968 5.281727 6.384346 6.371750 32 H 5.784660 4.497557 4.593015 5.879272 4.902669 16 17 18 19 20 16 H 0.000000 17 H 1.763469 0.000000 18 C 6.386623 5.636147 0.000000 19 Br 4.415387 4.175567 7.885521 0.000000 20 H 7.685987 6.437787 3.642391 7.143276 0.000000 21 H 1.759873 1.756679 6.958900 2.917533 7.383073 22 H 2.892436 3.599113 6.907253 2.690957 7.409754 23 N 7.375086 6.703900 1.326474 9.187734 4.561424 24 H 5.473498 4.928346 1.077536 7.299045 4.257057 25 C 8.687627 7.859056 2.429383 10.209654 4.594871 26 C 7.464829 7.088319 2.417489 9.817066 5.939615 27 H 9.148940 8.315009 3.211086 10.978430 5.468846 28 H 8.708037 7.698022 2.536238 9.864327 3.771510 29 H 9.380969 8.648642 3.038646 10.732203 4.967973 30 H 7.887586 7.469172 3.164193 10.516696 6.589795 31 H 8.245226 7.974205 3.090918 10.449098 6.409285 32 H 6.571951 6.376922 2.515074 9.159147 6.149416 21 22 23 24 25 21 H 0.000000 22 H 2.538095 0.000000 23 N 8.109832 8.082498 0.000000 24 H 6.193122 6.056322 2.032700 0.000000 25 C 9.297371 9.334182 1.451213 3.373252 0.000000 26 C 8.474935 8.353867 1.448253 2.548475 2.466244 27 H 9.850697 10.063518 2.077020 4.047488 1.083613 28 H 9.123186 9.271785 2.075759 3.597213 1.076236 29 H 9.995320 9.791300 2.095734 3.928101 1.085672 30 H 8.964158 9.078202 2.087107 3.338844 2.737190 31 H 9.265419 8.898679 2.094351 3.262706 2.750218 32 H 7.692941 7.513584 2.085456 2.169956 3.384109 26 27 28 29 30 26 C 0.000000 27 H 2.650053 0.000000 28 H 3.366558 1.764923 0.000000 29 H 2.823296 1.762508 1.762731 0.000000 30 H 1.084074 2.471501 3.650792 3.232560 0.000000 31 H 1.085321 2.986193 3.752043 2.676191 1.760433 32 H 1.080901 3.647200 4.151705 3.776225 1.757757 31 32 31 H 0.000000 32 H 1.759285 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.259705 -1.942205 0.017028 2 6 0 -1.770404 -2.497619 1.339694 3 8 0 -1.908064 -2.473437 -1.083941 4 7 0 3.349509 0.634851 0.054259 5 8 0 0.193106 3.862169 0.013825 6 6 0 0.352944 2.678490 0.015452 7 6 0 -0.607479 1.606967 0.001315 8 7 0 -1.983117 1.637468 -0.021621 9 6 0 -2.320662 0.414215 -0.018913 10 7 0 -1.271245 -0.474074 0.002252 11 6 0 -0.159546 0.317182 0.010435 12 7 0 1.116833 -0.128281 0.036324 13 6 0 1.993546 0.826631 0.037617 14 7 0 1.650182 2.139199 0.031810 15 1 0 -0.221565 -2.196343 -0.103406 16 1 0 -1.693465 -3.578521 1.321392 17 1 0 -1.173668 -2.117286 2.160694 18 6 0 3.768060 -0.572721 -0.066363 19 35 0 -4.106241 -0.152230 -0.069537 20 1 0 2.397396 2.800346 0.037137 21 1 0 -2.803755 -2.226906 1.515155 22 1 0 -2.843448 -2.329890 -1.020540 23 7 0 5.050048 -0.910031 -0.018795 24 1 0 3.085095 -1.393430 -0.211554 25 6 0 6.098482 0.079554 0.147118 26 6 0 5.477727 -2.267882 -0.284816 27 1 0 6.832587 -0.293934 0.851257 28 1 0 5.673359 0.995114 0.520351 29 1 0 6.592589 0.274342 -0.799772 30 1 0 6.096682 -2.631045 0.527725 31 1 0 6.053335 -2.315650 -1.203682 32 1 0 4.619718 -2.918198 -0.381026 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5652442 0.1450131 0.1184011 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.2643600618 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.39D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000340 -0.000025 -0.000156 Ang= 0.04 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58128198 A.U. after 11 cycles NFock= 11 Conv=0.41D-08 -V/T= 2.0038 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 0.000070423 0.000103912 -0.000145537 2 6 -0.000153260 -0.000019668 -0.000051585 3 8 -0.000081854 -0.000234282 -0.000161723 4 7 0.000235344 0.000179351 0.000008527 5 8 -0.000018076 0.000015852 0.000077376 6 6 -0.000191968 -0.000311406 -0.000219532 7 6 -0.000111293 0.000247505 -0.000073755 8 7 -0.000010903 -0.000071318 0.000073938 9 6 -0.000245487 -0.000006515 -0.000094151 10 7 0.000089894 0.000476430 0.000338567 11 6 0.000081871 -0.000497957 0.000005274 12 7 0.000114910 0.000020756 -0.000024883 13 6 -0.000185322 0.000103370 0.000218931 14 7 0.000011904 0.000170507 -0.000055318 15 1 0.000078706 0.000003257 0.000155626 16 1 0.000012609 -0.000004593 -0.000041519 17 1 0.000026754 0.000020499 -0.000047508 18 6 0.000080470 0.000059326 0.000185454 19 35 0.000050849 0.000089784 -0.000017497 20 1 0.000029358 -0.000012503 -0.000002400 21 1 0.000024579 -0.000037743 0.000031848 22 1 0.000166183 -0.000061595 0.000067867 23 7 0.000193628 -0.000270309 -0.000564728 24 1 0.000006384 0.000011400 -0.000030478 25 6 -0.000081876 0.000017746 0.000099578 26 6 0.000061203 -0.000028002 0.000257974 27 1 -0.000100748 0.000050860 0.000017267 28 1 -0.000098128 0.000066169 -0.000006967 29 1 -0.000047453 -0.000044526 0.000046488 30 1 -0.000003907 -0.000003214 -0.000007003 31 1 0.000006727 -0.000027750 -0.000009194 32 1 -0.000011518 -0.000005343 -0.000030936 ------------------------------------------------------------------- Cartesian Forces: Max 0.000564728 RMS 0.000144898 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000508199 RMS 0.000096243 Search for a local minimum. Step number 35 out of a maximum of 168 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 32 33 34 35 DE= -2.32D-05 DEPred=-2.19D-05 R= 1.06D+00 TightC=F SS= 1.41D+00 RLast= 2.56D-01 DXNew= 2.1808D+00 7.6893D-01 Trust test= 1.06D+00 RLast= 2.56D-01 DXMaxT set to 1.30D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 ITU= 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00032 0.00197 0.00305 0.00454 0.00693 Eigenvalues --- 0.01088 0.01650 0.01717 0.01773 0.01881 Eigenvalues --- 0.01948 0.02147 0.02370 0.02596 0.02667 Eigenvalues --- 0.03264 0.03983 0.04287 0.05480 0.05533 Eigenvalues --- 0.05779 0.05810 0.06173 0.06629 0.06979 Eigenvalues --- 0.07645 0.07724 0.07780 0.08037 0.09081 Eigenvalues --- 0.15294 0.15594 0.15885 0.15991 0.16015 Eigenvalues --- 0.16018 0.16032 0.16107 0.16233 0.16482 Eigenvalues --- 0.16822 0.17431 0.18941 0.19675 0.21421 Eigenvalues --- 0.22506 0.23542 0.23826 0.24407 0.24770 Eigenvalues --- 0.24931 0.25199 0.25819 0.26191 0.27885 Eigenvalues --- 0.29303 0.30681 0.32248 0.32572 0.33672 Eigenvalues --- 0.33740 0.33749 0.33758 0.33781 0.33867 Eigenvalues --- 0.33873 0.34035 0.34432 0.34800 0.37143 Eigenvalues --- 0.38437 0.39311 0.40774 0.41228 0.41731 Eigenvalues --- 0.43760 0.44543 0.47577 0.48647 0.49282 Eigenvalues --- 0.49669 0.50831 0.52312 0.54300 0.56322 Eigenvalues --- 0.62320 0.69770 0.72126 0.80058 0.87649 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 35 34 33 32 31 30 29 28 27 26 RFO step: Lambda=-1.36217584D-05. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. RFO-DIIS uses 7 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.41670 -0.49497 0.14906 -0.14545 0.10138 RFO-DIIS coefs: -0.23379 0.20708 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.01054245 RMS(Int)= 0.00006007 Iteration 2 RMS(Cart)= 0.00008774 RMS(Int)= 0.00002161 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00002161 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87756 -0.00010 0.00007 -0.00014 -0.00007 2.87750 R2 2.61487 0.00031 -0.00039 0.00033 -0.00006 2.61482 R3 2.77459 0.00016 0.00024 0.00001 0.00025 2.77485 R4 2.03251 0.00002 0.00000 0.00008 0.00008 2.03259 R5 2.04807 0.00000 0.00001 0.00005 0.00006 2.04813 R6 2.04823 -0.00001 0.00001 -0.00004 -0.00002 2.04821 R7 2.04570 0.00001 0.00001 -0.00002 -0.00001 2.04569 R8 1.79232 -0.00005 -0.00008 0.00001 -0.00007 1.79226 R9 2.58809 0.00017 -0.00016 0.00028 0.00012 2.58821 R10 2.42590 0.00004 0.00022 -0.00002 0.00020 2.42610 R11 2.25713 0.00000 0.00003 -0.00004 -0.00001 2.25712 R12 2.71935 -0.00006 -0.00011 -0.00012 -0.00022 2.71913 R13 2.65500 0.00025 -0.00005 0.00029 0.00024 2.65524 R14 2.60058 0.00002 0.00011 0.00015 0.00026 2.60084 R15 2.58020 0.00020 -0.00005 0.00013 0.00008 2.58028 R16 2.39801 -0.00007 -0.00009 -0.00019 -0.00028 2.39773 R17 2.59848 0.00017 -0.00001 0.00043 0.00042 2.59890 R18 3.54127 -0.00010 0.00021 -0.00019 0.00001 3.54128 R19 2.57865 -0.00021 0.00001 -0.00035 -0.00033 2.57831 R20 2.55515 0.00008 -0.00011 0.00016 0.00005 2.55520 R21 2.44972 0.00007 0.00004 0.00003 0.00008 2.44980 R22 2.56388 0.00016 -0.00009 0.00003 -0.00006 2.56383 R23 1.88544 -0.00001 -0.00001 -0.00000 -0.00001 1.88543 R24 2.50667 -0.00020 -0.00030 -0.00058 -0.00087 2.50580 R25 2.03625 -0.00002 -0.00005 0.00001 -0.00004 2.03621 R26 2.74240 0.00010 0.00001 0.00020 0.00021 2.74261 R27 2.73680 0.00008 -0.00010 0.00013 0.00003 2.73683 R28 2.04773 -0.00002 0.00019 -0.00010 0.00009 2.04782 R29 2.03379 0.00011 0.00002 0.00027 0.00030 2.03409 R30 2.05162 -0.00006 -0.00023 -0.00017 -0.00040 2.05123 R31 2.04860 -0.00001 0.00014 -0.00006 0.00008 2.04868 R32 2.05096 0.00001 -0.00012 -0.00000 -0.00012 2.05084 R33 2.04261 -0.00001 -0.00002 -0.00002 -0.00003 2.04257 A1 1.97570 -0.00007 0.00029 -0.00004 0.00026 1.97596 A2 1.95069 -0.00008 -0.00031 -0.00015 -0.00045 1.95024 A3 1.91218 -0.00003 0.00026 -0.00062 -0.00035 1.91183 A4 1.95216 0.00015 0.00006 0.00000 0.00006 1.95223 A5 1.84674 0.00001 0.00001 0.00053 0.00054 1.84728 A6 1.81597 0.00004 -0.00035 0.00031 -0.00004 1.81593 A7 1.90212 -0.00007 0.00032 -0.00020 0.00012 1.90224 A8 1.92336 -0.00007 0.00003 -0.00032 -0.00030 1.92306 A9 1.94950 0.00008 -0.00024 0.00039 0.00015 1.94966 A10 1.90040 0.00004 -0.00007 -0.00012 -0.00019 1.90021 A11 1.89643 -0.00001 0.00004 -0.00000 0.00004 1.89647 A12 1.89127 0.00003 -0.00009 0.00026 0.00017 1.89144 A13 1.92923 0.00012 0.00017 0.00052 0.00069 1.92992 A14 2.04136 0.00008 -0.00002 0.00031 0.00030 2.04166 A15 2.27653 -0.00000 0.00008 0.00008 0.00016 2.27669 A16 2.09898 0.00003 -0.00006 -0.00002 -0.00009 2.09890 A17 1.90767 -0.00003 -0.00000 -0.00006 -0.00007 1.90760 A18 2.27946 -0.00004 0.00008 -0.00009 -0.00001 2.27945 A19 2.07644 0.00010 -0.00007 0.00030 0.00023 2.07667 A20 1.92728 -0.00006 -0.00000 -0.00021 -0.00022 1.92707 A21 1.81780 -0.00003 0.00001 0.00008 0.00009 1.81789 A22 2.00397 0.00008 -0.00002 0.00000 -0.00001 2.00396 A23 2.14692 0.00001 -0.00010 0.00020 0.00009 2.14701 A24 2.13215 -0.00008 0.00011 -0.00019 -0.00008 2.13207 A25 2.28115 0.00001 -0.00005 -0.00011 -0.00019 2.28097 A26 2.18138 0.00005 0.00005 0.00026 0.00028 2.18167 A27 1.82065 -0.00007 0.00005 -0.00014 -0.00010 1.82055 A28 1.85505 0.00008 -0.00003 0.00026 0.00024 1.85529 A29 2.24085 -0.00008 0.00010 -0.00035 -0.00025 2.24060 A30 2.18723 -0.00000 -0.00006 0.00008 0.00002 2.18725 A31 1.97768 0.00003 0.00001 0.00016 0.00017 1.97785 A32 2.17299 -0.00017 0.00029 0.00005 0.00034 2.17333 A33 1.96718 0.00015 -0.00016 -0.00009 -0.00025 1.96694 A34 2.14299 0.00002 -0.00013 0.00004 -0.00009 2.14290 A35 2.22065 -0.00005 0.00012 -0.00010 0.00002 2.22067 A36 2.02327 0.00005 -0.00015 0.00024 0.00009 2.02337 A37 2.03926 -0.00000 0.00003 -0.00015 -0.00011 2.03914 A38 2.15429 -0.00029 0.00023 -0.00146 -0.00123 2.15306 A39 2.12055 0.00015 -0.00016 0.00081 0.00065 2.12120 A40 2.00834 0.00013 -0.00006 0.00065 0.00058 2.00892 A41 2.12813 -0.00051 0.00124 -0.00182 -0.00072 2.12740 A42 2.11441 0.00011 0.00061 0.00051 0.00098 2.11539 A43 2.03419 0.00041 -0.00023 0.00170 0.00132 2.03552 A44 1.90572 0.00011 0.00090 0.00064 0.00154 1.90725 A45 1.91173 0.00004 0.00021 -0.00001 0.00019 1.91192 A46 1.92990 -0.00006 -0.00138 -0.00003 -0.00140 1.92850 A47 1.91290 -0.00009 0.00006 -0.00061 -0.00055 1.91234 A48 1.89680 0.00002 -0.00023 0.00041 0.00018 1.89698 A49 1.90668 -0.00003 0.00045 -0.00040 0.00004 1.90673 A50 1.92305 0.00001 0.00025 0.00000 0.00025 1.92331 A51 1.93200 0.00001 -0.00041 0.00035 -0.00006 1.93193 A52 1.92413 -0.00002 0.00013 -0.00028 -0.00016 1.92397 A53 1.89338 0.00000 -0.00005 0.00009 0.00004 1.89342 A54 1.89482 0.00002 -0.00007 -0.00004 -0.00011 1.89471 A55 1.89563 -0.00002 0.00016 -0.00012 0.00003 1.89567 D1 0.97017 -0.00003 0.00025 0.00045 0.00071 0.97088 D2 3.05454 -0.00007 0.00038 -0.00002 0.00037 3.05491 D3 -1.12537 -0.00003 0.00014 0.00034 0.00048 -1.12489 D4 -3.08975 0.00004 0.00032 0.00030 0.00062 -3.08912 D5 -1.00537 0.00001 0.00045 -0.00017 0.00028 -1.00509 D6 1.09790 0.00005 0.00020 0.00019 0.00040 1.09829 D7 -1.08635 0.00002 -0.00012 0.00022 0.00010 -1.08625 D8 0.99802 -0.00001 0.00001 -0.00025 -0.00024 0.99778 D9 3.10129 0.00003 -0.00024 0.00011 -0.00013 3.10116 D10 0.99063 -0.00009 0.00176 -0.00281 -0.00105 0.98959 D11 -1.23186 -0.00004 0.00189 -0.00258 -0.00069 -1.23256 D12 3.08495 -0.00016 0.00226 -0.00324 -0.00098 3.08397 D13 -1.20966 -0.00000 0.00024 -0.00125 -0.00101 -1.21067 D14 1.92921 0.00008 -0.00468 0.00399 -0.00069 1.92853 D15 1.02622 -0.00004 0.00044 -0.00142 -0.00098 1.02523 D16 -2.11809 0.00004 -0.00449 0.00383 -0.00066 -2.11875 D17 3.01172 0.00005 0.00029 -0.00063 -0.00034 3.01138 D18 -0.13259 0.00013 -0.00463 0.00461 -0.00002 -0.13261 D19 0.11898 -0.00002 -0.01140 0.00339 -0.00801 0.11098 D20 -3.03020 0.00010 -0.01100 0.00439 -0.00662 -3.03681 D21 -3.09767 -0.00007 -0.00493 -0.00116 -0.00609 -3.10376 D22 0.03933 -0.00005 -0.00307 -0.00058 -0.00365 0.03568 D23 0.00337 0.00004 0.00117 -0.00064 0.00053 0.00390 D24 -3.13868 0.00002 0.00109 -0.00135 -0.00026 -3.13894 D25 -3.13696 -0.00004 -0.00071 0.00033 -0.00038 -3.13733 D26 0.00418 -0.00006 -0.00078 -0.00038 -0.00116 0.00302 D27 3.13985 -0.00004 -0.00066 0.00105 0.00039 3.14023 D28 -0.00494 -0.00006 -0.00077 0.00029 -0.00047 -0.00541 D29 -0.00286 0.00003 0.00099 0.00020 0.00118 -0.00168 D30 3.13554 0.00001 0.00088 -0.00056 0.00032 3.13586 D31 -3.13654 -0.00004 -0.00017 -0.00082 -0.00099 -3.13753 D32 0.00548 -0.00003 -0.00010 -0.00015 -0.00026 0.00523 D33 3.13486 0.00004 0.00084 0.00017 0.00101 3.13587 D34 0.00421 0.00003 -0.00016 0.00044 0.00029 0.00450 D35 -0.00710 0.00003 0.00078 -0.00040 0.00037 -0.00673 D36 -3.13775 0.00002 -0.00022 -0.00013 -0.00035 -3.13810 D37 -0.00176 0.00002 -0.00064 0.00068 0.00004 -0.00171 D38 -3.12571 0.00003 -0.00016 -0.00012 -0.00028 -3.12599 D39 3.13679 0.00007 -0.00304 0.00350 0.00046 3.13725 D40 -0.00251 -0.00000 0.00112 -0.00094 0.00018 -0.00232 D41 -0.02227 0.00006 -0.00352 0.00429 0.00077 -0.02150 D42 3.12162 -0.00001 0.00064 -0.00014 0.00050 3.12212 D43 -3.13382 -0.00008 0.00277 -0.00335 -0.00057 -3.13440 D44 -0.00274 -0.00007 0.00373 -0.00362 0.00011 -0.00262 D45 0.00564 -0.00002 -0.00107 0.00075 -0.00032 0.00532 D46 3.13673 -0.00001 -0.00012 0.00049 0.00037 3.13710 D47 -0.01382 0.00003 0.00101 -0.00021 0.00079 -0.01303 D48 3.14064 0.00002 -0.00016 0.00011 -0.00005 3.14059 D49 -3.13523 0.00008 -0.00039 0.00107 0.00068 -3.13455 D50 0.01469 -0.00006 -0.00082 -0.00002 -0.00084 0.01385 D51 -3.14158 -0.00009 -0.00057 -0.00097 -0.00153 3.14007 D52 0.00323 -0.00007 -0.00046 -0.00021 -0.00067 0.00256 D53 -0.00743 0.00003 -0.00018 0.00001 -0.00017 -0.00760 D54 3.13738 0.00005 -0.00007 0.00077 0.00070 3.13808 D55 -0.02411 0.00004 0.00297 0.00120 0.00420 -0.01990 D56 -3.03966 -0.00009 -0.00960 -0.00267 -0.01230 -3.05196 D57 3.12181 0.00002 0.00123 0.00064 0.00190 3.12371 D58 0.10625 -0.00012 -0.01135 -0.00322 -0.01460 0.09165 D59 2.40149 -0.00010 -0.01827 -0.00236 -0.02063 2.38086 D60 0.30666 -0.00008 -0.01901 -0.00199 -0.02101 0.28565 D61 -1.79554 -0.00003 -0.01883 -0.00147 -0.02031 -1.81585 D62 -0.86066 0.00001 -0.00614 0.00127 -0.00486 -0.86552 D63 -2.95549 0.00003 -0.00688 0.00164 -0.00524 -2.96073 D64 1.22549 0.00008 -0.00670 0.00216 -0.00453 1.22096 D65 -2.21966 0.00003 0.01045 0.00235 0.01277 -2.20689 D66 1.96922 0.00002 0.01062 0.00200 0.01259 1.98181 D67 -0.12859 0.00005 0.01060 0.00212 0.01269 -0.11590 D68 1.04147 -0.00003 -0.00171 -0.00108 -0.00276 1.03871 D69 -1.05283 -0.00005 -0.00154 -0.00142 -0.00294 -1.05577 D70 3.13254 -0.00002 -0.00156 -0.00131 -0.00284 3.12970 Item Value Threshold Converged? Maximum Force 0.000508 0.000450 NO RMS Force 0.000096 0.000300 YES Maximum Displacement 0.064549 0.001800 NO RMS Displacement 0.010544 0.001200 NO Predicted change in Energy=-5.826339D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.205334 -4.821508 2.226957 2 6 0 7.206509 -4.995199 3.739723 3 8 0 7.422740 -6.003977 1.542027 4 7 0 7.646250 0.084854 0.322497 5 8 0 3.247198 -0.893356 0.057270 6 6 0 4.307664 -1.331818 0.388619 7 6 0 4.655428 -2.611583 0.946918 8 7 0 3.868673 -3.697890 1.255407 9 6 0 4.685040 -4.549841 1.721923 10 7 0 5.995264 -4.133545 1.759420 11 6 0 5.962280 -2.869507 1.246912 12 7 0 7.034198 -2.059503 1.094575 13 6 0 6.737284 -0.906093 0.582639 14 7 0 5.469442 -0.553282 0.252813 15 1 0 8.006786 -4.164184 1.939698 16 1 0 8.139266 -5.457727 4.040899 17 1 0 7.119969 -4.030883 4.226926 18 6 0 8.885915 -0.202771 0.492024 19 35 0 4.164228 -6.257237 2.292272 20 1 0 5.341345 0.358042 -0.132594 21 1 0 6.387103 -5.619922 4.071647 22 1 0 6.777220 -6.654363 1.786578 23 7 0 9.867716 0.671326 0.317877 24 1 0 9.199693 -1.188792 0.792592 25 6 0 9.613404 2.035350 -0.107692 26 6 0 11.255810 0.269672 0.414562 27 1 0 10.219585 2.712991 0.481941 28 1 0 8.571930 2.268173 0.032829 29 1 0 9.869980 2.160829 -1.154903 30 1 0 11.779630 0.900964 1.123356 31 1 0 11.747246 0.353328 -0.549426 32 1 0 11.325871 -0.755548 0.749713 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522705 0.000000 3 O 1.383701 2.427809 0.000000 4 N 5.281455 6.138220 6.213781 0.000000 5 O 5.983708 6.786879 6.764474 4.514299 0.000000 6 C 4.894274 5.749223 5.732637 3.627325 1.194416 7 C 3.608918 4.470950 4.418202 4.075008 2.393092 8 N 3.652360 4.358438 4.246361 5.426745 3.112423 9 C 2.584714 3.260010 3.105137 5.675170 4.267123 10 N 1.468385 2.476118 2.362935 4.752409 4.576900 11 C 2.513161 3.504394 3.470582 3.523996 3.562597 12 N 2.990025 3.955352 3.988741 2.359869 4.096007 13 C 4.272391 5.187306 5.232466 1.369624 3.529430 14 N 5.012816 5.908179 5.931908 2.269486 2.256603 15 H 1.075601 2.138018 1.970810 4.560663 6.074169 16 H 2.137145 1.083824 2.656343 6.692517 7.786855 17 H 2.152266 1.083864 3.345662 5.697441 6.498343 18 C 5.212205 6.027879 6.074322 1.283837 5.697460 19 Br 3.363616 3.597683 3.353343 7.498441 5.882805 20 H 5.989130 6.865192 6.900134 2.365232 2.446937 21 H 2.170218 1.082533 2.760257 6.941617 6.950875 22 H 1.933021 2.598439 0.948421 6.950956 6.974293 23 N 6.395631 7.134463 7.213607 2.297582 6.807893 24 H 4.385373 5.210288 5.187025 2.063092 6.005013 25 C 7.633210 8.368057 8.494196 2.803425 7.009502 26 C 6.753610 7.427813 7.437895 3.615461 8.100504 27 H 8.300570 8.894266 9.215837 3.681654 7.861315 28 H 7.546215 8.268132 8.486859 2.389073 6.192627 29 H 8.203069 9.069740 8.940160 3.381916 7.393149 30 H 7.408697 7.907183 8.175328 4.288618 8.783992 31 H 7.424028 8.223250 7.968115 4.201250 8.612382 32 H 5.974371 6.624496 6.588490 3.798473 8.109465 6 7 8 9 10 6 C 0.000000 7 C 1.438901 0.000000 8 N 2.557798 1.376304 0.000000 9 C 3.503681 2.087667 1.268823 0.000000 10 N 3.546374 2.184420 2.228500 1.375280 0.000000 11 C 2.416384 1.365424 2.251551 2.163446 1.364384 12 N 2.908933 2.446454 3.568014 3.480501 2.413100 13 C 2.474256 2.715791 4.059024 4.334348 3.514521 14 N 1.405094 2.319699 3.668271 4.329671 3.919776 15 H 4.910361 3.824628 4.220149 3.351142 2.019817 16 H 6.711442 5.459888 5.393881 4.258355 3.399316 17 H 5.470522 4.341293 4.417208 3.531747 2.713685 18 C 4.716548 4.889409 6.162087 6.169037 5.041145 19 Br 5.282445 3.916893 2.777175 1.873965 2.854241 20 H 2.048362 3.233342 4.532758 5.287464 4.917487 21 H 6.023006 4.670410 4.238856 3.092458 2.776553 22 H 6.031789 4.642316 4.181210 2.968234 2.639453 23 N 5.910311 6.192021 7.480476 7.489463 6.337249 24 H 4.910764 4.764293 5.910122 5.704594 4.458104 25 C 6.303573 6.876606 8.229825 8.426209 7.391368 26 C 7.130370 7.221501 8.427239 8.252994 6.990730 27 H 7.163798 7.715383 9.057136 9.215067 8.145667 28 H 5.592002 6.323493 7.694753 8.027843 7.113530 29 H 6.746881 7.374626 8.726388 8.955044 7.945177 30 H 7.832971 7.945021 9.151509 8.966758 7.694787 31 H 7.685508 7.830940 9.041111 8.892404 7.651673 32 H 7.051078 6.926656 8.032614 7.709895 6.391067 11 12 13 14 15 11 C 0.000000 12 N 1.352154 0.000000 13 C 2.212891 1.296376 0.000000 14 N 2.568272 2.329319 1.356719 0.000000 15 H 2.517170 2.467760 3.750787 4.724649 0.000000 16 H 4.386857 4.631407 5.885787 6.747677 2.471002 17 H 3.401400 3.702070 4.815765 5.532768 2.456751 18 C 4.028520 2.690609 2.262628 3.442727 4.308297 19 Br 3.975234 5.224191 6.178852 6.196619 4.389810 20 H 3.564501 3.196282 2.014507 0.997726 5.643535 21 H 3.965398 4.685965 5.875031 6.410651 3.047582 22 H 3.909028 4.653777 5.873131 6.425411 2.781415 23 N 5.352853 4.011174 3.515388 4.566039 5.429136 24 H 3.675874 2.353444 2.487460 3.822304 3.404678 25 C 6.262849 4.986539 4.171416 4.899327 6.723634 26 C 6.210371 4.869239 4.672018 5.846835 5.704496 27 H 7.062160 5.770504 5.023378 5.769307 7.370011 28 H 5.888975 4.713884 3.707314 4.199337 6.732811 29 H 6.807577 5.559947 4.715808 5.358432 7.283806 30 H 6.933489 5.593239 5.383594 6.533847 6.368397 31 H 6.861438 5.544124 5.288424 6.393462 6.371396 32 H 5.786548 4.498631 4.594094 5.880951 4.904201 16 17 18 19 20 16 H 0.000000 17 H 1.763365 0.000000 18 C 6.384870 5.632274 0.000000 19 Br 4.415636 4.175636 7.886177 0.000000 20 H 7.685673 6.436737 3.642613 7.143353 0.000000 21 H 1.759922 1.756772 6.957247 2.917794 7.382771 22 H 2.892934 3.599364 6.909812 2.690941 7.410720 23 N 7.376566 6.703846 1.326011 9.188743 4.559507 24 H 5.468072 4.919084 1.077514 7.300280 4.258581 25 C 8.690805 7.861636 2.428597 10.208837 4.589604 26 C 7.460983 7.080542 2.417769 9.819209 5.940377 27 H 9.151751 8.313385 3.206313 10.973132 5.451666 28 H 8.714434 7.705631 2.532787 9.859794 3.756679 29 H 9.382650 8.652395 3.044233 10.737898 4.980330 30 H 7.886524 7.461079 3.160759 10.516679 6.582073 31 H 8.237534 7.965334 3.095332 10.453563 6.419450 32 H 6.564819 6.364625 2.515025 9.161725 6.150861 21 22 23 24 25 21 H 0.000000 22 H 2.538464 0.000000 23 N 8.110811 8.085417 0.000000 24 H 6.188520 6.060433 2.032646 0.000000 25 C 9.299413 9.335058 1.451325 3.372945 0.000000 26 C 8.471475 8.359572 1.448268 2.549047 2.467360 27 H 9.849434 10.064754 2.078250 4.044823 1.083660 28 H 9.127297 9.268671 2.076110 3.594709 1.076392 29 H 9.999367 9.794134 2.094685 3.932172 1.085462 30 H 8.960676 9.085534 2.087330 3.336549 2.737672 31 H 9.260948 8.903134 2.094271 3.266370 2.752746 32 H 7.686924 7.520727 2.085346 2.170293 3.384789 26 27 28 29 30 26 C 0.000000 27 H 2.654828 0.000000 28 H 3.367928 1.764747 0.000000 29 H 2.821386 1.762489 1.762715 0.000000 30 H 1.084115 2.475601 3.653471 3.228698 0.000000 31 H 1.085256 2.994241 3.753436 2.675405 1.760441 32 H 1.080884 3.650525 4.152228 3.775239 1.757708 31 32 31 H 0.000000 32 H 1.759239 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.260603 -1.942504 0.012815 2 6 0 -1.770075 -2.499635 1.335189 3 8 0 -1.910495 -2.471291 -1.088390 4 7 0 3.349773 0.633674 0.051724 5 8 0 0.194178 3.861664 0.017117 6 6 0 0.353553 2.677929 0.017388 7 6 0 -0.607054 1.606731 0.003071 8 7 0 -1.982833 1.637593 -0.019084 9 6 0 -2.320735 0.414592 -0.018222 10 7 0 -1.271420 -0.474207 0.000968 11 6 0 -0.159692 0.316692 0.010144 12 7 0 1.116639 -0.129080 0.034358 13 6 0 1.993733 0.825535 0.037062 14 7 0 1.650746 2.138177 0.033169 15 1 0 -0.222602 -2.196884 -0.108691 16 1 0 -1.693340 -3.580559 1.315466 17 1 0 -1.172104 -2.120598 2.155874 18 6 0 3.768317 -0.574564 -0.063253 19 35 0 -4.106494 -0.151354 -0.068395 20 1 0 2.398221 2.799016 0.038857 21 1 0 -2.803144 -2.228921 1.512274 22 1 0 -2.845849 -2.328273 -1.023886 23 7 0 5.050855 -0.908920 -0.023155 24 1 0 3.085542 -1.396988 -0.199169 25 6 0 6.097649 0.084250 0.132350 26 6 0 5.479212 -2.270686 -0.267254 27 1 0 6.827571 -0.274414 0.848516 28 1 0 5.669406 1.006596 0.485201 29 1 0 6.597487 0.261085 -0.814815 30 1 0 6.097248 -2.621129 0.551603 31 1 0 6.055834 -2.332696 -1.184555 32 1 0 4.621398 -2.922526 -0.354245 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5654204 0.1449994 0.1183844 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.2625435113 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.39D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000036 -0.000008 0.000036 Ang= 0.01 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58128942 A.U. after 10 cycles NFock= 10 Conv=0.91D-08 -V/T= 2.0038 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 -0.000067053 0.000157389 -0.000090315 2 6 -0.000083264 -0.000046499 -0.000024052 3 8 0.000046575 -0.000153816 -0.000216019 4 7 -0.000016462 -0.000175703 0.000113819 5 8 -0.000035310 -0.000008804 0.000029370 6 6 -0.000118764 -0.000146737 -0.000077130 7 6 -0.000148348 0.000055958 -0.000026956 8 7 -0.000073642 0.000065807 -0.000028563 9 6 -0.000036967 -0.000055965 -0.000030849 10 7 -0.000032859 0.000298190 0.000376751 11 6 0.000156387 -0.000294342 -0.000135145 12 7 0.000157049 0.000015780 0.000052913 13 6 -0.000107437 0.000116904 0.000087226 14 7 -0.000059635 0.000121217 -0.000058828 15 1 0.000070723 -0.000069238 0.000087650 16 1 -0.000005693 -0.000015532 -0.000051692 17 1 0.000006360 0.000019365 -0.000025453 18 6 -0.000129085 -0.000049226 -0.000056763 19 35 0.000043752 0.000085791 -0.000018854 20 1 0.000011409 -0.000020816 -0.000008812 21 1 0.000019499 -0.000030296 0.000030031 22 1 0.000108201 -0.000017912 0.000121358 23 7 0.000341737 0.000063600 -0.000172948 24 1 -0.000032438 0.000018948 0.000046412 25 6 -0.000075196 0.000071723 0.000027212 26 6 -0.000005943 0.000028420 0.000165514 27 1 -0.000000277 -0.000019072 0.000042549 28 1 0.000087894 -0.000045492 -0.000025004 29 1 0.000009545 0.000049384 -0.000050627 30 1 0.000002890 0.000010732 -0.000007157 31 1 -0.000014022 -0.000004107 -0.000017383 32 1 -0.000019627 -0.000025650 -0.000058255 ------------------------------------------------------------------- Cartesian Forces: Max 0.000376751 RMS 0.000101694 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000340128 RMS 0.000072081 Search for a local minimum. Step number 36 out of a maximum of 168 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 32 33 34 35 36 DE= -7.45D-06 DEPred=-5.83D-06 R= 1.28D+00 TightC=F SS= 1.41D+00 RLast= 4.94D-02 DXNew= 2.1808D+00 1.4808D-01 Trust test= 1.28D+00 RLast= 4.94D-02 DXMaxT set to 1.30D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 ITU= 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00018 0.00213 0.00305 0.00575 0.00697 Eigenvalues --- 0.01044 0.01382 0.01674 0.01721 0.01818 Eigenvalues --- 0.01899 0.02142 0.02369 0.02595 0.02661 Eigenvalues --- 0.03258 0.03986 0.04278 0.05501 0.05505 Eigenvalues --- 0.05790 0.05849 0.06463 0.06646 0.07082 Eigenvalues --- 0.07649 0.07724 0.07795 0.08053 0.08971 Eigenvalues --- 0.15299 0.15624 0.15966 0.15992 0.16016 Eigenvalues --- 0.16027 0.16089 0.16117 0.16222 0.16480 Eigenvalues --- 0.17003 0.17394 0.18927 0.19696 0.21416 Eigenvalues --- 0.23214 0.23442 0.23953 0.24425 0.24703 Eigenvalues --- 0.24891 0.25242 0.25769 0.27281 0.28488 Eigenvalues --- 0.29585 0.30904 0.32016 0.32738 0.33673 Eigenvalues --- 0.33745 0.33749 0.33763 0.33780 0.33868 Eigenvalues --- 0.33990 0.34266 0.34625 0.35254 0.37204 Eigenvalues --- 0.38447 0.39341 0.40732 0.41290 0.42062 Eigenvalues --- 0.43756 0.44538 0.48400 0.48730 0.49567 Eigenvalues --- 0.50159 0.50997 0.51209 0.55558 0.56784 Eigenvalues --- 0.61028 0.70290 0.72798 0.80138 0.87646 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 36 35 34 33 32 31 30 29 28 27 RFO step: Lambda=-2.12413943D-05. DIIS inversion failure, remove point 10. 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 10 DidBck=F Rises=F RFO-DIIS coefs: 2.97831 -1.75289 0.50906 -1.37035 0.61881 RFO-DIIS coefs: 0.01707 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.04345245 RMS(Int)= 0.00288846 Iteration 2 RMS(Cart)= 0.00301720 RMS(Int)= 0.00002588 Iteration 3 RMS(Cart)= 0.00001192 RMS(Int)= 0.00002426 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00002426 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87750 -0.00006 0.00001 0.00009 0.00010 2.87760 R2 2.61482 0.00022 -0.00040 -0.00027 -0.00068 2.61414 R3 2.77485 0.00010 0.00070 -0.00017 0.00053 2.77537 R4 2.03259 -0.00001 0.00020 -0.00017 0.00003 2.03262 R5 2.04813 -0.00001 0.00015 -0.00006 0.00009 2.04822 R6 2.04821 0.00001 -0.00003 0.00002 -0.00001 2.04820 R7 2.04569 0.00001 -0.00003 -0.00002 -0.00004 2.04565 R8 1.79226 -0.00003 -0.00020 -0.00001 -0.00021 1.79204 R9 2.58821 0.00004 0.00028 -0.00054 -0.00026 2.58795 R10 2.42610 0.00012 0.00036 0.00012 0.00049 2.42659 R11 2.25712 0.00002 -0.00001 0.00000 -0.00001 2.25711 R12 2.71913 -0.00002 -0.00071 0.00006 -0.00065 2.71848 R13 2.65524 0.00017 0.00066 0.00012 0.00078 2.65602 R14 2.60084 -0.00005 0.00073 -0.00018 0.00055 2.60139 R15 2.58028 0.00019 0.00006 0.00015 0.00021 2.58049 R16 2.39773 0.00006 -0.00081 0.00026 -0.00055 2.39718 R17 2.59890 0.00005 0.00101 -0.00028 0.00073 2.59963 R18 3.54128 -0.00010 0.00008 -0.00000 0.00008 3.54136 R19 2.57831 -0.00012 -0.00087 0.00012 -0.00075 2.57756 R20 2.55520 0.00003 0.00004 -0.00007 -0.00004 2.55516 R21 2.44980 0.00005 0.00020 -0.00000 0.00020 2.44999 R22 2.56383 0.00019 -0.00011 0.00005 -0.00006 2.56376 R23 1.88543 -0.00002 -0.00006 -0.00001 -0.00007 1.88536 R24 2.50580 0.00034 -0.00146 0.00206 0.00060 2.50639 R25 2.03621 -0.00001 -0.00016 0.00004 -0.00012 2.03609 R26 2.74261 0.00005 -0.00090 0.00011 -0.00079 2.74181 R27 2.73683 -0.00003 -0.00034 -0.00028 -0.00062 2.73621 R28 2.04782 0.00001 0.00113 0.00030 0.00143 2.04926 R29 2.03409 -0.00010 -0.00088 -0.00054 -0.00142 2.03267 R30 2.05123 0.00006 0.00006 0.00005 0.00011 2.05133 R31 2.04868 0.00000 0.00029 0.00007 0.00036 2.04904 R32 2.05084 0.00001 -0.00003 -0.00009 -0.00012 2.05072 R33 2.04257 0.00000 -0.00012 0.00010 -0.00002 2.04256 A1 1.97596 -0.00009 0.00115 -0.00050 0.00066 1.97662 A2 1.95024 -0.00002 -0.00131 0.00075 -0.00056 1.94968 A3 1.91183 0.00001 -0.00068 0.00057 -0.00012 1.91171 A4 1.95223 0.00013 0.00021 -0.00009 0.00012 1.95234 A5 1.84728 -0.00003 0.00144 -0.00136 0.00007 1.84736 A6 1.81593 0.00002 -0.00085 0.00064 -0.00022 1.81571 A7 1.90224 -0.00008 0.00047 -0.00020 0.00026 1.90251 A8 1.92306 -0.00004 -0.00059 0.00012 -0.00047 1.92259 A9 1.94966 0.00007 0.00022 0.00007 0.00029 1.94994 A10 1.90021 0.00005 -0.00054 0.00030 -0.00024 1.89998 A11 1.89647 -0.00001 0.00011 -0.00019 -0.00007 1.89640 A12 1.89144 0.00001 0.00031 -0.00009 0.00022 1.89166 A13 1.92992 -0.00003 0.00183 -0.00187 -0.00004 1.92988 A14 2.04166 -0.00008 0.00062 -0.00114 -0.00052 2.04113 A15 2.27669 -0.00003 0.00045 -0.00003 0.00042 2.27711 A16 2.09890 0.00004 -0.00026 0.00001 -0.00026 2.09864 A17 1.90760 -0.00002 -0.00019 0.00002 -0.00017 1.90743 A18 2.27945 -0.00004 -0.00006 -0.00008 -0.00014 2.27931 A19 2.07667 0.00006 0.00044 -0.00002 0.00042 2.07709 A20 1.92707 -0.00001 -0.00038 0.00010 -0.00028 1.92678 A21 1.81789 -0.00005 0.00006 -0.00006 0.00001 1.81790 A22 2.00396 0.00007 0.00006 -0.00000 0.00005 2.00402 A23 2.14701 0.00000 0.00001 0.00020 0.00021 2.14723 A24 2.13207 -0.00007 -0.00009 -0.00018 -0.00026 2.13182 A25 2.28097 0.00004 -0.00050 0.00003 -0.00044 2.28053 A26 2.18167 -0.00001 0.00063 -0.00014 0.00052 2.18219 A27 1.82055 -0.00003 -0.00021 0.00011 -0.00008 1.82046 A28 1.85529 0.00003 0.00048 -0.00017 0.00030 1.85559 A29 2.24060 -0.00002 -0.00038 0.00013 -0.00025 2.24035 A30 2.18725 -0.00001 -0.00008 0.00002 -0.00005 2.18720 A31 1.97785 -0.00001 0.00041 -0.00026 0.00015 1.97800 A32 2.17333 -0.00026 0.00092 -0.00106 -0.00014 2.17319 A33 1.96694 0.00022 -0.00047 0.00070 0.00023 1.96717 A34 2.14290 0.00004 -0.00043 0.00035 -0.00008 2.14282 A35 2.22067 -0.00005 0.00019 -0.00023 -0.00004 2.22062 A36 2.02337 0.00003 -0.00018 -0.00004 -0.00023 2.02314 A37 2.03914 0.00002 -0.00001 0.00027 0.00026 2.03941 A38 2.15306 0.00030 0.00131 0.00392 0.00523 2.15829 A39 2.12120 -0.00017 0.00001 -0.00237 -0.00236 2.11884 A40 2.00892 -0.00012 -0.00130 -0.00156 -0.00286 2.00606 A41 2.12740 0.00007 0.00561 0.00279 0.00839 2.13580 A42 2.11539 -0.00007 0.00104 -0.00114 -0.00011 2.11527 A43 2.03552 0.00000 -0.00432 -0.00158 -0.00592 2.02960 A44 1.90725 -0.00006 0.00454 -0.00013 0.00442 1.91167 A45 1.91192 -0.00003 -0.00214 0.00069 -0.00145 1.91047 A46 1.92850 0.00008 -0.00346 -0.00114 -0.00461 1.92389 A47 1.91234 0.00002 -0.00044 0.00057 0.00014 1.91249 A48 1.89698 0.00000 -0.00139 -0.00032 -0.00170 1.89527 A49 1.90673 -0.00001 0.00289 0.00034 0.00322 1.90995 A50 1.92331 0.00002 -0.00026 0.00039 0.00013 1.92344 A51 1.93193 -0.00004 -0.00057 -0.00091 -0.00148 1.93046 A52 1.92397 -0.00002 0.00084 0.00013 0.00097 1.92494 A53 1.89342 0.00001 -0.00051 0.00003 -0.00048 1.89294 A54 1.89471 0.00004 0.00003 0.00037 0.00040 1.89511 A55 1.89567 -0.00001 0.00047 0.00001 0.00047 1.89614 D1 0.97088 -0.00006 0.00177 -0.00164 0.00012 0.97100 D2 3.05491 -0.00007 0.00104 -0.00133 -0.00029 3.05462 D3 -1.12489 -0.00004 0.00118 -0.00132 -0.00014 -1.12504 D4 -3.08912 0.00002 0.00190 -0.00155 0.00035 -3.08877 D5 -1.00509 0.00001 0.00117 -0.00123 -0.00006 -1.00515 D6 1.09829 0.00004 0.00131 -0.00123 0.00009 1.09838 D7 -1.08625 0.00004 -0.00031 0.00000 -0.00031 -1.08656 D8 0.99778 0.00002 -0.00104 0.00032 -0.00072 0.99706 D9 3.10116 0.00005 -0.00090 0.00033 -0.00057 3.10059 D10 0.98959 -0.00007 -0.00056 -0.00004 -0.00060 0.98899 D11 -1.23256 -0.00007 0.00010 -0.00057 -0.00047 -1.23303 D12 3.08397 -0.00013 0.00021 -0.00052 -0.00031 3.08366 D13 -1.21067 0.00002 -0.00203 0.00162 -0.00040 -1.21107 D14 1.92853 0.00010 -0.00583 0.00530 -0.00052 1.92800 D15 1.02523 -0.00002 -0.00137 0.00149 0.00012 1.02536 D16 -2.11875 0.00006 -0.00517 0.00517 0.00000 -2.11875 D17 3.01138 0.00001 -0.00007 0.00021 0.00014 3.01152 D18 -0.13261 0.00009 -0.00387 0.00389 0.00002 -0.13259 D19 0.11098 0.00001 -0.01354 0.00070 -0.01284 0.09814 D20 -3.03681 0.00007 -0.01111 0.00035 -0.01076 -3.04757 D21 -3.10376 0.00004 -0.01201 0.00284 -0.00917 -3.11293 D22 0.03568 -0.00003 -0.00531 -0.00128 -0.00659 0.02910 D23 0.00390 0.00001 0.00227 -0.00016 0.00211 0.00601 D24 -3.13894 0.00000 0.00102 -0.00093 0.00010 -3.13884 D25 -3.13733 -0.00001 -0.00203 0.00103 -0.00100 -3.13833 D26 0.00302 -0.00003 -0.00327 0.00026 -0.00301 0.00001 D27 3.14023 -0.00001 -0.00001 0.00029 0.00029 3.14053 D28 -0.00541 -0.00003 -0.00214 0.00036 -0.00177 -0.00718 D29 -0.00168 0.00001 0.00379 -0.00076 0.00303 0.00135 D30 3.13586 -0.00000 0.00166 -0.00069 0.00097 3.13683 D31 -3.13753 -0.00002 -0.00231 0.00059 -0.00171 -3.13924 D32 0.00523 -0.00001 -0.00114 0.00131 0.00017 0.00539 D33 3.13587 0.00001 0.00322 -0.00173 0.00150 3.13737 D34 0.00450 0.00002 0.00061 0.00050 0.00111 0.00560 D35 -0.00673 0.00000 0.00222 -0.00235 -0.00013 -0.00686 D36 -3.13810 0.00001 -0.00040 -0.00012 -0.00052 -3.13862 D37 -0.00171 0.00001 -0.00041 0.00027 -0.00014 -0.00185 D38 -3.12599 0.00002 0.00001 -0.00073 -0.00072 -3.12671 D39 3.13725 0.00006 -0.00145 0.00141 -0.00004 3.13720 D40 -0.00232 -0.00001 0.00176 -0.00170 0.00006 -0.00226 D41 -0.02150 0.00006 -0.00186 0.00240 0.00054 -0.02096 D42 3.12212 -0.00002 0.00135 -0.00071 0.00064 3.12276 D43 -3.13440 -0.00006 0.00070 -0.00054 0.00014 -3.13425 D44 -0.00262 -0.00007 0.00321 -0.00268 0.00052 -0.00211 D45 0.00532 0.00000 -0.00229 0.00234 0.00005 0.00537 D46 3.13710 -0.00001 0.00022 0.00020 0.00042 3.13752 D47 -0.01303 0.00000 0.00219 -0.00077 0.00142 -0.01161 D48 3.14059 0.00002 -0.00089 0.00185 0.00096 3.14155 D49 -3.13455 0.00005 0.00078 -0.00011 0.00067 -3.13388 D50 0.01385 -0.00002 -0.00188 0.00026 -0.00162 0.01223 D51 3.14007 -0.00004 -0.00362 0.00086 -0.00276 3.13731 D52 0.00256 -0.00003 -0.00148 0.00079 -0.00068 0.00188 D53 -0.00760 0.00002 -0.00124 0.00052 -0.00072 -0.00832 D54 3.13808 0.00003 0.00090 0.00045 0.00136 3.13944 D55 -0.01990 -0.00001 0.00765 -0.00060 0.00715 -0.01275 D56 -3.05196 -0.00006 -0.02191 -0.00138 -0.02339 -3.07535 D57 3.12371 0.00006 0.00134 0.00328 0.00472 3.12843 D58 0.09165 0.00001 -0.02822 0.00250 -0.02583 0.06583 D59 2.38086 -0.00005 -0.15690 0.00034 -0.15658 2.22427 D60 0.28565 -0.00002 -0.15787 -0.00070 -0.15858 0.12707 D61 -1.81585 -0.00004 -0.15788 -0.00084 -0.15875 -1.97460 D62 -0.86552 -0.00001 -0.12826 0.00109 -0.12715 -0.99267 D63 -2.96073 0.00002 -0.12923 0.00005 -0.12915 -3.08988 D64 1.22096 0.00000 -0.12924 -0.00009 -0.12932 1.09164 D65 -2.20689 0.00002 0.02346 0.00123 0.02461 -2.18229 D66 1.98181 0.00002 0.02463 0.00153 0.02607 2.00788 D67 -0.11590 0.00007 0.02387 0.00202 0.02580 -0.09010 D68 1.03871 -0.00003 -0.00532 0.00023 -0.00501 1.03371 D69 -1.05577 -0.00003 -0.00415 0.00052 -0.00354 -1.05931 D70 3.12970 0.00002 -0.00491 0.00102 -0.00381 3.12589 Item Value Threshold Converged? Maximum Force 0.000340 0.000450 YES RMS Force 0.000072 0.000300 YES Maximum Displacement 0.332408 0.001800 NO RMS Displacement 0.043572 0.001200 NO Predicted change in Energy=-7.176092D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.208048 -4.822541 2.216720 2 6 0 7.220407 -4.998227 3.729258 3 8 0 7.419077 -6.003555 1.528021 4 7 0 7.636775 0.087306 0.318055 5 8 0 3.235106 -0.888317 0.084343 6 6 0 4.297791 -1.328171 0.406588 7 6 0 4.649227 -2.608149 0.961200 8 7 0 3.864264 -3.694927 1.273863 9 6 0 4.683708 -4.547978 1.732110 10 7 0 5.994800 -4.132382 1.759899 11 6 0 5.958336 -2.867711 1.250254 12 7 0 7.029487 -2.058166 1.090437 13 6 0 6.729081 -0.903006 0.584252 14 7 0 5.458905 -0.548912 0.265088 15 1 0 8.007718 -4.165221 1.924472 16 1 0 8.154974 -5.461919 4.023120 17 1 0 7.138705 -4.034222 4.217903 18 6 0 8.876880 -0.198577 0.489254 19 35 0 4.166812 -6.255967 2.304378 20 1 0 5.328034 0.363093 -0.117664 21 1 0 6.402959 -5.622464 4.066805 22 1 0 6.775215 -6.653897 1.776588 23 7 0 9.863661 0.667618 0.301871 24 1 0 9.188443 -1.181608 0.801465 25 6 0 9.628039 2.031177 -0.134380 26 6 0 11.248764 0.266170 0.431706 27 1 0 10.119373 2.719126 0.544798 28 1 0 8.570402 2.226979 -0.143074 29 1 0 10.031343 2.181455 -1.130930 30 1 0 11.757833 0.903044 1.146520 31 1 0 11.759900 0.343566 -0.522439 32 1 0 11.311934 -0.756618 0.775520 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522758 0.000000 3 O 1.383341 2.428086 0.000000 4 N 5.281603 6.137778 6.213694 0.000000 5 O 5.984097 6.786707 6.764279 4.514549 0.000000 6 C 4.894568 5.749012 5.732299 3.627703 1.194409 7 C 3.609352 4.470524 4.418386 4.074868 2.392998 8 N 3.652585 4.357895 4.246299 5.426849 3.112532 9 C 2.585057 3.259780 3.105253 5.675035 4.266931 10 N 1.468664 2.475919 2.362968 4.751922 4.576828 11 C 2.513403 3.503910 3.470509 3.523958 3.562770 12 N 2.990345 3.955223 3.988653 2.359751 4.096108 13 C 4.272834 5.186839 5.232818 1.369484 3.529588 14 N 5.013209 5.907603 5.932150 2.269515 2.256800 15 H 1.075617 2.137993 1.970569 4.560939 6.074702 16 H 2.137418 1.083873 2.657148 6.692528 7.786970 17 H 2.151973 1.083861 3.345496 5.695953 6.497778 18 C 5.210584 6.023137 6.074701 1.284094 5.698185 19 Br 3.363258 3.596753 3.353158 7.498215 5.882881 20 H 5.989540 6.864666 6.900358 2.365627 2.446873 21 H 2.170451 1.082511 2.761006 6.940958 6.950355 22 H 1.932595 2.598530 0.948309 6.950786 6.974093 23 N 6.392243 7.129908 7.209992 2.301314 6.812195 24 H 4.379647 5.197281 5.187457 2.061917 6.003541 25 C 7.639206 8.374779 8.497058 2.819302 7.031421 26 C 6.738593 7.403741 7.428179 3.618200 8.103840 27 H 8.255172 8.837552 9.183870 3.625077 7.785808 28 H 7.557802 8.307891 8.477015 2.379601 6.182409 29 H 8.260370 9.114309 8.993794 3.495565 7.555742 30 H 7.391089 7.879326 8.165259 4.281927 8.773487 31 H 7.410196 8.198700 7.958207 4.215716 8.634689 32 H 5.954047 6.592148 6.576545 3.798458 8.107418 6 7 8 9 10 6 C 0.000000 7 C 1.438557 0.000000 8 N 2.557664 1.376594 0.000000 9 C 3.503299 2.087685 1.268533 0.000000 10 N 3.546109 2.184439 2.228628 1.375665 0.000000 11 C 2.416478 1.365536 2.251661 2.163367 1.363987 12 N 2.909073 2.446389 3.568090 3.480458 2.412701 13 C 2.474571 2.715768 4.059257 4.334392 3.514283 14 N 1.405508 2.319613 3.668503 4.329620 3.919554 15 H 4.910844 3.825157 4.220507 3.351500 2.019902 16 H 6.711560 5.459818 5.393595 4.258369 3.399440 17 H 5.469884 4.340195 4.416384 3.531306 2.712920 18 C 4.717083 4.888948 6.161687 6.168037 5.039420 19 Br 5.282228 3.917068 2.777124 1.874005 2.854401 20 H 2.048564 3.233111 4.532824 5.287290 4.917226 21 H 6.022447 4.669737 4.238029 3.092110 2.776464 22 H 6.031408 4.642495 4.181133 2.968379 2.639576 23 N 5.913802 6.193197 7.481266 7.488654 6.335135 24 H 4.908756 4.760779 5.906506 5.700104 4.452530 25 C 6.323718 6.892910 8.245757 8.438926 7.401228 26 C 7.131520 7.217753 8.422016 8.244212 6.979648 27 H 7.091582 7.646943 8.988771 9.152430 8.088988 28 H 5.585376 6.322460 7.695740 8.032606 7.120148 29 H 6.896017 7.502299 8.851427 9.059772 8.032130 30 H 7.821640 7.930643 9.135972 8.949850 7.677519 31 H 7.703303 7.840630 9.048602 8.892845 7.647193 32 H 7.047056 6.917681 8.021833 7.695639 6.374693 11 12 13 14 15 11 C 0.000000 12 N 1.352135 0.000000 13 C 2.213069 1.296480 0.000000 14 N 2.568426 2.329329 1.356686 0.000000 15 H 2.517552 2.468245 3.751419 4.725219 0.000000 16 H 4.386789 4.631726 5.885802 6.747535 2.471322 17 H 3.400141 3.701050 4.814117 5.531172 2.456048 18 C 4.027567 2.689304 2.262362 3.443187 4.306920 19 Br 3.975048 5.223991 6.178854 6.196667 4.389545 20 H 3.564628 3.196395 2.014603 0.997687 5.644170 21 H 3.964758 4.685672 5.874335 6.409775 3.047688 22 H 3.908903 4.653622 5.873375 6.425585 2.781086 23 N 5.352528 4.010521 3.517413 4.569812 5.425283 24 H 3.671233 2.347968 2.484605 3.820662 3.399589 25 C 6.275591 4.997537 4.186862 4.919158 6.727530 26 C 6.203214 4.861971 4.670950 5.849324 5.689460 27 H 7.001760 5.715561 4.961398 5.698971 7.331904 28 H 5.892379 4.717885 3.703549 4.189700 6.741779 29 H 6.910391 5.649779 4.833289 5.505539 7.328768 30 H 6.918347 5.579352 5.372737 6.523925 6.352628 31 H 6.863883 5.544952 5.299797 6.412430 6.355738 32 H 5.774349 4.486932 4.589178 5.878914 4.884313 16 17 18 19 20 16 H 0.000000 17 H 1.763253 0.000000 18 C 6.380606 5.624612 0.000000 19 Br 4.414751 4.174910 7.884883 0.000000 20 H 7.685600 6.435219 3.643916 7.143296 0.000000 21 H 1.759898 1.756890 6.952533 2.916818 7.381878 22 H 2.893347 3.599283 6.909803 2.690850 7.410848 23 N 7.371467 6.698358 1.326327 9.186955 4.565157 24 H 5.456023 4.900090 1.077450 7.295522 4.258363 25 C 8.694896 7.869448 2.434124 10.220043 4.612247 26 C 7.435105 7.051329 2.417672 9.808119 5.946952 27 H 9.104234 8.245228 3.171728 10.912442 5.380211 28 H 8.754936 7.763409 2.525289 9.866205 3.740009 29 H 9.407771 8.695517 3.101988 10.834397 5.143371 30 H 7.859274 7.426058 3.153642 10.498365 6.575106 31 H 8.207390 7.936707 3.103103 10.449866 6.444620 32 H 6.530939 6.325230 2.514528 9.145109 6.152933 21 22 23 24 25 21 H 0.000000 22 H 2.539197 0.000000 23 N 8.106560 8.081947 0.000000 24 H 6.175967 6.059743 2.031047 0.000000 25 C 9.307487 9.339213 1.450905 3.375061 0.000000 26 C 8.448182 8.349172 1.447939 2.545133 2.462205 27 H 9.787665 10.027674 2.081606 4.018486 1.084419 28 H 9.167041 9.261628 2.074151 3.590626 1.075644 29 H 10.053993 9.854921 2.091110 3.969234 1.085518 30 H 8.932245 9.073634 2.087281 3.326650 2.729360 31 H 9.238587 8.893655 2.092897 3.269750 2.746535 32 H 7.655525 7.507454 2.085733 2.165757 3.381600 26 27 28 29 30 26 C 0.000000 27 H 2.702833 0.000000 28 H 3.368793 1.764848 0.000000 29 H 2.755406 1.762073 1.764165 0.000000 30 H 1.084306 2.518882 3.684504 3.130795 0.000000 31 H 1.085192 3.077922 3.723447 2.595382 1.760239 32 H 1.080876 3.681878 4.154716 3.729174 1.758108 31 32 31 H 0.000000 32 H 1.759481 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.257295 -1.942136 0.006169 2 6 0 -1.764227 -2.502777 1.328097 3 8 0 -1.907375 -2.468726 -1.095527 4 7 0 3.348935 0.641713 0.047438 5 8 0 0.187884 3.864806 0.023283 6 6 0 0.349020 2.681320 0.020250 7 6 0 -0.609345 1.608580 0.005758 8 7 0 -1.985488 1.637063 -0.015041 9 6 0 -2.321150 0.413747 -0.017224 10 7 0 -1.269999 -0.473548 -0.001619 11 6 0 -0.160010 0.319092 0.008655 12 7 0 1.117113 -0.124504 0.029835 13 6 0 1.992730 0.831594 0.035602 14 7 0 1.647520 2.143626 0.035545 15 1 0 -0.219017 -2.194629 -0.117028 16 1 0 -1.686138 -3.583613 1.306247 17 1 0 -1.165123 -2.124715 2.148401 18 6 0 3.768220 -0.567318 -0.059063 19 35 0 -4.105904 -0.155601 -0.066159 20 1 0 2.393676 2.805885 0.042177 21 1 0 -2.797319 -2.233798 1.507541 22 1 0 -2.842783 -2.327499 -1.029519 23 7 0 5.050293 -0.905939 -0.031322 24 1 0 3.083468 -1.390364 -0.179924 25 6 0 6.110041 0.075126 0.108571 26 6 0 5.468576 -2.276737 -0.237428 27 1 0 6.761021 -0.208771 0.928078 28 1 0 5.680345 1.040932 0.307539 29 1 0 6.699928 0.122832 -0.801433 30 1 0 6.080034 -2.610653 0.593438 31 1 0 6.049982 -2.365640 -1.149407 32 1 0 4.606504 -2.924384 -0.312777 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5646688 0.1450472 0.1183606 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.1551613317 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.38D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000362 0.000036 -0.000157 Ang= 0.05 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58128630 A.U. after 11 cycles NFock= 11 Conv=0.70D-08 -V/T= 2.0038 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 -0.000177120 0.000517535 -0.000029180 2 6 0.000014729 -0.000063934 -0.000034359 3 8 0.000126821 -0.000256861 -0.000287021 4 7 0.000564587 0.000489815 0.000245011 5 8 -0.000007333 -0.000099365 -0.000128190 6 6 0.000017765 0.000334934 0.000343999 7 6 -0.000207413 -0.000369766 -0.000091818 8 7 -0.000132535 0.000362958 -0.000180090 9 6 0.000314273 -0.000184322 0.000112064 10 7 -0.000218738 -0.000125975 0.000497051 11 6 0.000196250 0.000080609 -0.000248630 12 7 0.000057322 -0.000003699 0.000188376 13 6 -0.000073255 -0.000016869 -0.000251892 14 7 -0.000177561 -0.000065313 -0.000130886 15 1 0.000074461 -0.000075417 0.000088528 16 1 -0.000022415 -0.000017560 -0.000081995 17 1 -0.000021161 0.000007561 0.000000791 18 6 -0.000060439 -0.000155132 -0.000169401 19 35 0.000027069 0.000077464 -0.000042593 20 1 0.000027962 0.000016318 0.000000156 21 1 0.000008130 -0.000018478 0.000021896 22 1 0.000024772 -0.000123528 0.000136580 23 7 0.000266738 -0.000256933 -0.000782696 24 1 0.000000256 0.000021239 0.000072573 25 6 -0.000152571 0.000012480 0.000258775 26 6 0.000108374 -0.000105768 0.000416432 27 1 -0.000111184 0.000075304 -0.000050654 28 1 -0.000337838 0.000194855 -0.000028642 29 1 -0.000168056 -0.000212583 0.000129045 30 1 0.000071616 -0.000018574 0.000035406 31 1 -0.000060038 -0.000025078 0.000025139 32 1 0.000026532 0.000004083 -0.000033774 ------------------------------------------------------------------- Cartesian Forces: Max 0.000782696 RMS 0.000201230 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001103239 RMS 0.000177149 Search for a local minimum. Step number 37 out of a maximum of 168 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 35 36 37 DE= 3.12D-06 DEPred=-7.18D-06 R=-4.34D-01 Trust test=-4.34D-01 RLast= 3.58D-01 DXMaxT set to 6.48D-01 ITU= -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 ITU= 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00029 0.00217 0.00305 0.00570 0.00696 Eigenvalues --- 0.01029 0.01305 0.01675 0.01721 0.01818 Eigenvalues --- 0.01904 0.02145 0.02370 0.02610 0.02663 Eigenvalues --- 0.03258 0.03932 0.04278 0.05416 0.05506 Eigenvalues --- 0.05761 0.05831 0.06385 0.06644 0.07139 Eigenvalues --- 0.07662 0.07750 0.07792 0.08075 0.08967 Eigenvalues --- 0.15294 0.15625 0.15967 0.15992 0.16016 Eigenvalues --- 0.16027 0.16087 0.16163 0.16220 0.16477 Eigenvalues --- 0.17001 0.17501 0.18934 0.19775 0.21437 Eigenvalues --- 0.23209 0.23432 0.24004 0.24629 0.24702 Eigenvalues --- 0.24909 0.25291 0.25844 0.27564 0.28773 Eigenvalues --- 0.29608 0.31073 0.32307 0.32751 0.33675 Eigenvalues --- 0.33745 0.33749 0.33764 0.33781 0.33868 Eigenvalues --- 0.34008 0.34277 0.34842 0.35943 0.37210 Eigenvalues --- 0.38478 0.39459 0.40734 0.41409 0.42065 Eigenvalues --- 0.43842 0.44591 0.48352 0.48705 0.49627 Eigenvalues --- 0.50272 0.51025 0.51272 0.55571 0.56818 Eigenvalues --- 0.61095 0.70274 0.72881 0.80434 0.87637 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 37 36 35 34 33 32 31 30 29 28 RFO step: Lambda=-3.31759133D-05. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. RFO-DIIS uses 7 points instead of 10 EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 100 forward-backward iterations DidBck=T Rises=T En-DIIS coefs: 0.47444 0.52556 0.00000 0.00000 0.00000 En-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.01696085 RMS(Int)= 0.00045976 Iteration 2 RMS(Cart)= 0.00047825 RMS(Int)= 0.00001265 Iteration 3 RMS(Cart)= 0.00000029 RMS(Int)= 0.00001265 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87760 -0.00008 -0.00005 -0.00003 -0.00008 2.87751 R2 2.61414 0.00042 0.00036 0.00023 0.00058 2.61472 R3 2.77537 -0.00002 -0.00028 -0.00002 -0.00030 2.77507 R4 2.03262 -0.00001 -0.00002 0.00001 -0.00001 2.03261 R5 2.04822 -0.00003 -0.00005 0.00004 -0.00001 2.04821 R6 2.04820 0.00001 0.00000 -0.00001 -0.00001 2.04820 R7 2.04565 0.00001 0.00002 -0.00004 -0.00002 2.04563 R8 1.79204 0.00010 0.00011 -0.00002 0.00010 1.79214 R9 2.58795 0.00009 0.00014 0.00015 0.00029 2.58824 R10 2.42659 -0.00032 -0.00026 0.00013 -0.00012 2.42646 R11 2.25711 0.00000 0.00001 -0.00002 -0.00001 2.25709 R12 2.71848 0.00012 0.00034 -0.00017 0.00017 2.71865 R13 2.65602 -0.00004 -0.00041 0.00034 -0.00007 2.65596 R14 2.60139 -0.00019 -0.00029 0.00010 -0.00019 2.60119 R15 2.58049 0.00013 -0.00011 0.00020 0.00009 2.58058 R16 2.39718 0.00032 0.00029 -0.00014 0.00015 2.39733 R17 2.59963 -0.00014 -0.00038 0.00038 0.00000 2.59963 R18 3.54136 -0.00009 -0.00004 -0.00023 -0.00027 3.54109 R19 2.57756 0.00016 0.00039 -0.00035 0.00005 2.57761 R20 2.55516 0.00001 0.00002 0.00006 0.00008 2.55525 R21 2.44999 0.00009 -0.00010 0.00008 -0.00002 2.44997 R22 2.56376 0.00013 0.00003 0.00014 0.00017 2.56394 R23 1.88536 0.00001 0.00004 -0.00002 0.00002 1.88538 R24 2.50639 -0.00048 -0.00031 -0.00027 -0.00059 2.50581 R25 2.03609 0.00000 0.00006 -0.00002 0.00004 2.03612 R26 2.74181 0.00010 0.00042 0.00025 0.00066 2.74248 R27 2.73621 0.00022 0.00033 0.00005 0.00038 2.73659 R28 2.04926 -0.00003 -0.00075 0.00010 -0.00065 2.04861 R29 2.03267 0.00037 0.00074 0.00021 0.00095 2.03362 R30 2.05133 -0.00021 -0.00006 -0.00035 -0.00040 2.05093 R31 2.04904 0.00005 -0.00019 0.00012 -0.00007 2.04897 R32 2.05072 -0.00005 0.00006 -0.00015 -0.00009 2.05063 R33 2.04256 -0.00001 0.00001 -0.00002 -0.00001 2.04255 A1 1.97662 -0.00017 -0.00035 0.00005 -0.00030 1.97632 A2 1.94968 0.00007 0.00030 0.00018 0.00048 1.95015 A3 1.91171 -0.00001 0.00006 -0.00042 -0.00036 1.91136 A4 1.95234 0.00010 -0.00006 0.00005 -0.00001 1.95233 A5 1.84736 0.00000 -0.00004 0.00001 -0.00002 1.84733 A6 1.81571 0.00000 0.00011 0.00009 0.00021 1.81592 A7 1.90251 -0.00011 -0.00014 -0.00025 -0.00039 1.90212 A8 1.92259 0.00001 0.00025 -0.00022 0.00003 1.92262 A9 1.94994 0.00004 -0.00015 0.00042 0.00027 1.95021 A10 1.89998 0.00005 0.00012 -0.00007 0.00006 1.90003 A11 1.89640 0.00001 0.00004 -0.00005 -0.00001 1.89639 A12 1.89166 -0.00001 -0.00012 0.00016 0.00004 1.89170 A13 1.92988 0.00001 0.00002 -0.00012 -0.00010 1.92978 A14 2.04113 0.00016 0.00028 0.00014 0.00042 2.04155 A15 2.27711 -0.00007 -0.00022 0.00005 -0.00017 2.27695 A16 2.09864 0.00005 0.00013 0.00004 0.00017 2.09881 A17 1.90743 0.00003 0.00009 -0.00009 -0.00001 1.90742 A18 2.27931 -0.00001 0.00007 -0.00014 -0.00007 2.27924 A19 2.07709 -0.00003 -0.00022 0.00024 0.00002 2.07711 A20 1.92678 0.00004 0.00015 -0.00009 0.00005 1.92684 A21 1.81790 -0.00002 -0.00000 0.00003 0.00003 1.81792 A22 2.00402 0.00002 -0.00003 -0.00002 -0.00005 2.00397 A23 2.14723 -0.00001 -0.00011 0.00014 0.00003 2.14726 A24 2.13182 -0.00001 0.00013 -0.00013 0.00000 2.13182 A25 2.28053 0.00012 0.00023 -0.00004 0.00018 2.28071 A26 2.18219 -0.00010 -0.00027 0.00009 -0.00019 2.18200 A27 1.82046 -0.00002 0.00004 -0.00003 0.00001 1.82047 A28 1.85559 -0.00002 -0.00016 0.00012 -0.00004 1.85555 A29 2.24035 0.00001 0.00013 -0.00015 -0.00002 2.24032 A30 2.18720 0.00001 0.00002 0.00004 0.00006 2.18727 A31 1.97800 -0.00001 -0.00008 0.00003 -0.00005 1.97795 A32 2.17319 -0.00010 0.00007 -0.00026 -0.00019 2.17300 A33 1.96717 0.00008 -0.00012 0.00021 0.00009 1.96726 A34 2.14282 0.00002 0.00004 0.00005 0.00010 2.14291 A35 2.22062 -0.00001 0.00002 -0.00007 -0.00005 2.22058 A36 2.02314 0.00003 0.00012 0.00016 0.00028 2.02342 A37 2.03941 -0.00002 -0.00014 -0.00010 -0.00024 2.03917 A38 2.15829 -0.00092 -0.00275 -0.00075 -0.00350 2.15479 A39 2.11884 0.00047 0.00124 0.00026 0.00150 2.12034 A40 2.00606 0.00046 0.00150 0.00049 0.00200 2.00805 A41 2.13580 -0.00110 -0.00441 -0.00109 -0.00544 2.13036 A42 2.11527 0.00027 0.00006 0.00063 0.00076 2.11603 A43 2.02960 0.00085 0.00311 0.00154 0.00472 2.03432 A44 1.91167 0.00022 -0.00232 0.00130 -0.00102 1.91065 A45 1.91047 0.00017 0.00076 0.00012 0.00088 1.91135 A46 1.92389 -0.00028 0.00242 -0.00120 0.00123 1.92511 A47 1.91249 -0.00015 -0.00008 -0.00055 -0.00062 1.91186 A48 1.89527 0.00008 0.00090 0.00033 0.00123 1.89650 A49 1.90995 -0.00004 -0.00169 -0.00001 -0.00170 1.90825 A50 1.92344 0.00011 -0.00007 0.00057 0.00050 1.92394 A51 1.93046 -0.00008 0.00078 -0.00039 0.00038 1.93084 A52 1.92494 0.00002 -0.00051 -0.00016 -0.00067 1.92427 A53 1.89294 0.00000 0.00025 0.00008 0.00033 1.89327 A54 1.89511 -0.00004 -0.00021 0.00010 -0.00011 1.89500 A55 1.89614 -0.00002 -0.00025 -0.00020 -0.00045 1.89570 D1 0.97100 -0.00007 -0.00006 0.00019 0.00013 0.97113 D2 3.05462 -0.00006 0.00015 -0.00018 -0.00003 3.05459 D3 -1.12504 -0.00004 0.00007 0.00016 0.00023 -1.12481 D4 -3.08877 -0.00000 -0.00018 0.00045 0.00027 -3.08850 D5 -1.00515 0.00000 0.00003 0.00008 0.00012 -1.00504 D6 1.09838 0.00003 -0.00005 0.00042 0.00037 1.09875 D7 -1.08656 0.00004 0.00016 0.00042 0.00058 -1.08598 D8 0.99706 0.00004 0.00038 0.00005 0.00043 0.99749 D9 3.10059 0.00007 0.00030 0.00039 0.00069 3.10128 D10 0.98899 -0.00004 0.00031 -0.00427 -0.00396 0.98503 D11 -1.23303 -0.00008 0.00025 -0.00460 -0.00435 -1.23738 D12 3.08366 -0.00014 0.00016 -0.00474 -0.00458 3.07908 D13 -1.21107 0.00002 0.00021 -0.00193 -0.00172 -1.21280 D14 1.92800 0.00012 0.00027 0.00498 0.00526 1.93326 D15 1.02536 -0.00006 -0.00006 -0.00168 -0.00174 1.02361 D16 -2.11875 0.00004 -0.00000 0.00524 0.00524 -2.11351 D17 3.01152 -0.00001 -0.00007 -0.00159 -0.00166 3.00986 D18 -0.13259 0.00009 -0.00001 0.00533 0.00532 -0.12727 D19 0.09814 0.00009 0.00675 -0.00176 0.00499 0.10313 D20 -3.04757 0.00003 0.00565 -0.00156 0.00410 -3.04348 D21 -3.11293 0.00007 0.00482 -0.00426 0.00056 -3.11237 D22 0.02910 -0.00009 0.00346 -0.00311 0.00035 0.02945 D23 0.00601 -0.00008 -0.00111 0.00048 -0.00063 0.00538 D24 -3.13884 -0.00007 -0.00005 -0.00026 -0.00031 -3.13915 D25 -3.13833 0.00005 0.00052 -0.00027 0.00025 -3.13808 D26 0.00001 0.00007 0.00158 -0.00101 0.00057 0.00058 D27 3.14053 0.00005 -0.00015 0.00051 0.00035 3.14088 D28 -0.00718 0.00007 0.00093 -0.00052 0.00041 -0.00677 D29 0.00135 -0.00007 -0.00159 0.00117 -0.00042 0.00093 D30 3.13683 -0.00005 -0.00051 0.00015 -0.00036 3.13647 D31 -3.13924 0.00002 0.00090 -0.00110 -0.00020 -3.13944 D32 0.00539 0.00001 -0.00009 -0.00042 -0.00050 0.00489 D33 3.13737 -0.00003 -0.00079 0.00076 -0.00003 3.13734 D34 0.00560 -0.00002 -0.00058 0.00043 -0.00016 0.00545 D35 -0.00686 -0.00001 0.00007 0.00016 0.00023 -0.00663 D36 -3.13862 -0.00001 0.00028 -0.00017 0.00010 -3.13852 D37 -0.00185 0.00000 0.00007 0.00053 0.00060 -0.00125 D38 -3.12671 0.00004 0.00038 0.00087 0.00125 -3.12546 D39 3.13720 0.00007 0.00002 0.00540 0.00542 -3.14056 D40 -0.00226 -0.00001 -0.00003 -0.00045 -0.00048 -0.00274 D41 -0.02096 0.00004 -0.00028 0.00507 0.00478 -0.01618 D42 3.12276 -0.00005 -0.00034 -0.00078 -0.00112 3.12164 D43 -3.13425 -0.00006 -0.00008 -0.00527 -0.00535 -3.13960 D44 -0.00211 -0.00007 -0.00027 -0.00495 -0.00523 -0.00733 D45 0.00537 0.00001 -0.00003 0.00014 0.00012 0.00549 D46 3.13752 0.00001 -0.00022 0.00046 0.00024 3.13776 D47 -0.01161 -0.00004 -0.00075 0.00024 -0.00051 -0.01212 D48 3.14155 -0.00004 -0.00050 -0.00015 -0.00066 3.14089 D49 -3.13388 -0.00001 -0.00035 0.00006 -0.00029 -3.13417 D50 0.01223 0.00005 0.00085 -0.00016 0.00069 0.01291 D51 3.13731 0.00006 0.00145 -0.00082 0.00063 3.13794 D52 0.00188 0.00004 0.00036 0.00021 0.00057 0.00245 D53 -0.00832 0.00000 0.00038 -0.00062 -0.00024 -0.00856 D54 3.13944 -0.00002 -0.00071 0.00041 -0.00030 3.13913 D55 -0.01275 -0.00004 -0.00376 0.00515 0.00136 -0.01140 D56 -3.07535 -0.00021 0.01229 -0.01178 0.00055 -3.07480 D57 3.12843 0.00011 -0.00248 0.00407 0.00155 3.12999 D58 0.06583 -0.00006 0.01357 -0.01286 0.00075 0.06658 D59 2.22427 -0.00004 0.08229 -0.02425 0.05806 2.28233 D60 0.12707 -0.00010 0.08334 -0.02445 0.05891 0.18597 D61 -1.97460 0.00002 0.08343 -0.02376 0.05968 -1.91492 D62 -0.99267 0.00010 0.06683 -0.00813 0.05868 -0.93399 D63 -3.08988 0.00005 0.06788 -0.00833 0.05953 -3.03035 D64 1.09164 0.00017 0.06796 -0.00765 0.06031 1.15195 D65 -2.18229 0.00004 -0.01293 0.01480 0.00190 -2.18039 D66 2.00788 0.00002 -0.01370 0.01458 0.00091 2.00880 D67 -0.09010 0.00008 -0.01356 0.01518 0.00165 -0.08844 D68 1.03371 -0.00004 0.00263 -0.00103 0.00157 1.03528 D69 -1.05931 -0.00006 0.00186 -0.00125 0.00058 -1.05873 D70 3.12589 -0.00000 0.00200 -0.00064 0.00133 3.12722 Item Value Threshold Converged? Maximum Force 0.001103 0.000450 NO RMS Force 0.000177 0.000300 YES Maximum Displacement 0.127517 0.001800 NO RMS Displacement 0.016965 0.001200 NO Predicted change in Energy=-1.688466D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.205898 -4.822220 2.219798 2 6 0 7.217442 -5.001702 3.731853 3 8 0 7.416861 -6.002055 1.528443 4 7 0 7.642416 0.085724 0.318571 5 8 0 3.240785 -0.888637 0.072165 6 6 0 4.302248 -1.327977 0.399075 7 6 0 4.651354 -2.607119 0.957314 8 7 0 3.864877 -3.692790 1.269567 9 6 0 4.682468 -4.545555 1.731862 10 7 0 5.993602 -4.130367 1.763524 11 6 0 5.959413 -2.866622 1.251360 12 7 0 7.031442 -2.057775 1.093548 13 6 0 6.733226 -0.903776 0.583461 14 7 0 5.464188 -0.549685 0.259414 15 1 0 8.006364 -4.164827 1.929915 16 1 0 8.151848 -5.466401 4.024618 17 1 0 7.135921 -4.038907 4.222902 18 6 0 8.882152 -0.201425 0.489838 19 35 0 4.163202 -6.252770 2.303822 20 1 0 5.335282 0.361563 -0.125827 21 1 0 6.399806 -5.626600 4.067682 22 1 0 6.774645 -6.653773 1.777857 23 7 0 9.866409 0.667285 0.303018 24 1 0 9.194311 -1.184664 0.800869 25 6 0 9.619150 2.030166 -0.130072 26 6 0 11.253117 0.269972 0.430662 27 1 0 10.155622 2.717133 0.514517 28 1 0 8.564464 2.237813 -0.078980 29 1 0 9.963864 2.169664 -1.149680 30 1 0 11.760928 0.905766 1.147274 31 1 0 11.763498 0.351303 -0.523507 32 1 0 11.319196 -0.753741 0.771138 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522714 0.000000 3 O 1.383650 2.428064 0.000000 4 N 5.281395 6.141092 6.210936 0.000000 5 O 5.983940 6.791497 6.760726 4.514915 0.000000 6 C 4.894482 5.753436 5.729161 3.627914 1.194401 7 C 3.609188 4.474026 4.415859 4.075028 2.392985 8 N 3.652530 4.360711 4.244563 5.426911 3.112320 9 C 2.585020 3.261002 3.104783 5.675160 4.266861 10 N 1.468506 2.476152 2.363080 4.752042 4.576846 11 C 2.513158 3.506288 3.468699 3.524052 3.562846 12 N 2.990156 3.957520 3.986857 2.359760 4.096241 13 C 4.272614 5.190361 5.229990 1.369637 3.529703 14 N 5.013104 5.912038 5.928887 2.269785 2.256872 15 H 1.075613 2.137695 1.970812 4.560272 6.074159 16 H 2.137093 1.083868 2.656694 6.694804 7.790787 17 H 2.151953 1.083858 3.345592 5.702011 6.505760 18 C 5.210982 6.026988 6.072321 1.284029 5.698397 19 Br 3.363262 3.596224 3.354157 7.498178 5.882608 20 H 5.989388 6.869413 6.896754 2.365681 2.447268 21 H 2.170596 1.082500 2.760998 6.944823 6.956427 22 H 1.932842 2.596826 0.948360 6.950063 6.973834 23 N 6.394297 7.135220 7.209858 2.298825 6.809778 24 H 4.381662 5.202736 5.186130 2.062735 6.005258 25 C 7.635501 8.374356 8.492192 2.808845 7.017397 26 C 6.746215 7.414519 7.433727 3.617135 8.103602 27 H 8.273494 8.863666 9.195276 3.644024 7.811032 28 H 7.548122 8.291411 8.473265 2.374806 6.175686 29 H 8.236881 9.099489 8.968643 3.447852 7.486381 30 H 7.396515 7.888061 8.169101 4.280346 8.773174 31 H 7.420430 8.211539 7.966737 4.214610 8.633013 32 H 5.964089 6.605709 6.583808 3.798451 8.109716 6 7 8 9 10 6 C 0.000000 7 C 1.438648 0.000000 8 N 2.557614 1.376492 0.000000 9 C 3.503384 2.087685 1.268613 0.000000 10 N 3.546236 2.184465 2.228663 1.375667 0.000000 11 C 2.416612 1.365585 2.251658 2.163398 1.364013 12 N 2.909192 2.446458 3.568107 3.480543 2.412803 13 C 2.474591 2.715757 4.059158 4.334397 3.514325 14 N 1.405471 2.319654 3.668420 4.329684 3.919682 15 H 4.910363 3.824722 4.220284 3.351488 2.019922 16 H 6.714949 5.462353 5.395750 4.259259 3.399347 17 H 5.477271 4.345935 4.420600 3.532903 2.713263 18 C 4.717295 4.889329 6.162033 6.168585 5.040097 19 Br 5.282138 3.916906 2.777082 1.873862 2.854275 20 H 2.048714 3.233268 4.532879 5.287437 4.917364 21 H 6.027983 4.674263 4.242044 3.094183 2.777204 22 H 6.031409 4.642959 4.182408 2.970506 2.641555 23 N 5.911868 6.192465 7.480832 7.489229 6.336338 24 H 4.910627 4.763015 5.908742 5.702549 4.455155 25 C 6.310830 6.882283 8.235464 8.430762 7.394760 26 C 7.132252 7.220684 8.425754 8.249598 6.985843 27 H 7.116054 7.670768 9.012806 9.175183 8.109913 28 H 5.577623 6.313453 7.686140 8.022663 7.110405 29 H 6.832718 7.448479 8.798793 9.016130 7.996257 30 H 7.821849 7.932370 9.138342 8.953394 7.681436 31 H 7.703336 7.843958 9.053066 8.899826 7.655558 32 H 7.050230 6.923134 8.028281 7.703701 6.383445 11 12 13 14 15 11 C 0.000000 12 N 1.352177 0.000000 13 C 2.213061 1.296470 0.000000 14 N 2.568540 2.329463 1.356777 0.000000 15 H 2.517098 2.467722 3.750770 4.724668 0.000000 16 H 4.388232 4.633057 5.888260 6.750879 2.470434 17 H 3.404186 3.705220 4.820451 5.538826 2.455874 18 C 4.028100 2.689912 2.262729 3.443379 4.306899 19 Br 3.974928 5.223940 6.178706 6.196559 4.389671 20 H 3.564739 3.196409 2.014552 0.997698 5.643489 21 H 3.967757 4.688385 5.878438 6.415087 3.047599 22 H 3.909516 4.653754 5.872884 6.425174 2.781206 23 N 5.352800 4.010976 3.516207 4.567545 5.427326 24 H 3.673757 2.350742 2.486585 3.822328 3.401078 25 C 6.267421 4.990465 4.176805 4.906225 6.724773 26 C 6.207662 4.866247 4.672306 5.849176 5.697070 27 H 7.023491 5.735462 4.982823 5.722476 7.347383 28 H 5.883141 4.709252 3.696192 4.182866 6.733568 29 H 6.867663 5.612701 4.784018 5.443114 7.310369 30 H 6.920934 5.581532 5.373092 6.523463 6.357688 31 H 6.869686 5.550754 5.301342 6.411400 6.366377 32 H 5.781189 4.493249 4.592260 5.880869 4.894193 16 17 18 19 20 16 H 0.000000 17 H 1.763282 0.000000 18 C 6.383415 5.631284 0.000000 19 Br 4.414613 4.173861 7.885290 0.000000 20 H 7.689240 6.443437 3.643663 7.143275 0.000000 21 H 1.759878 1.756908 6.956690 2.916452 7.387613 22 H 2.890411 3.598095 6.908934 2.693896 7.410177 23 N 7.376458 6.705916 1.326017 9.187870 4.561631 24 H 5.460088 4.908562 1.077471 7.297714 4.259306 25 C 8.695570 7.870734 2.430525 10.212651 4.597367 26 C 7.445829 7.063911 2.418097 9.814367 5.944648 27 H 9.127221 8.277367 3.184386 10.934801 5.403186 28 H 8.738689 7.742360 2.524750 9.855905 3.734986 29 H 9.400333 8.683793 3.078991 10.794061 5.073586 30 H 7.868233 7.436396 3.153641 10.502747 6.573117 31 H 8.220410 7.950900 3.103954 10.458110 6.440513 32 H 6.544187 6.340882 2.514631 9.154053 6.152696 21 22 23 24 25 21 H 0.000000 22 H 2.537497 0.000000 23 N 8.111906 8.082825 0.000000 24 H 6.181595 6.059740 2.032065 0.000000 25 C 9.306523 9.334999 1.451257 3.373762 0.000000 26 C 8.458848 8.355232 1.448140 2.547882 2.466283 27 H 9.815754 10.041958 2.080926 4.028665 1.084076 28 H 9.150384 9.258056 2.075461 3.589455 1.076146 29 H 10.035193 9.828257 2.092121 3.955802 1.085306 30 H 8.941042 9.077846 2.087785 3.328276 2.735525 31 H 9.251136 8.902585 2.093307 3.273207 2.751653 32 H 7.668921 7.515105 2.085436 2.168343 3.384150 26 27 28 29 30 26 C 0.000000 27 H 2.683305 0.000000 28 H 3.370606 1.764587 0.000000 29 H 2.787200 1.762398 1.763339 0.000000 30 H 1.084269 2.501688 3.673613 3.178502 0.000000 31 H 1.085145 3.043010 3.740366 2.633859 1.760381 32 H 1.080870 3.669704 4.154593 3.751369 1.758002 31 32 31 H 0.000000 32 H 1.759157 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.259048 -1.942212 0.005780 2 6 0 -1.769235 -2.506683 1.324772 3 8 0 -1.907221 -2.465455 -1.099017 4 7 0 3.349520 0.637012 0.048630 5 8 0 0.191253 3.863302 0.019314 6 6 0 0.351470 2.679695 0.018588 7 6 0 -0.607961 1.607763 0.005804 8 7 0 -1.983974 1.637597 -0.014864 9 6 0 -2.320916 0.414548 -0.015448 10 7 0 -1.270643 -0.473757 0.001917 11 6 0 -0.159843 0.317807 0.010936 12 7 0 1.116906 -0.126958 0.032849 13 6 0 1.993372 0.828359 0.036311 14 7 0 1.649437 2.140818 0.034185 15 1 0 -0.220733 -2.195366 -0.115702 16 1 0 -1.691297 -3.587449 1.299426 17 1 0 -1.171841 -2.131463 2.147620 18 6 0 3.768109 -0.571949 -0.060582 19 35 0 -4.106045 -0.153057 -0.065403 20 1 0 2.396414 2.802179 0.039395 21 1 0 -2.802667 -2.238133 1.502830 22 1 0 -2.843084 -2.327033 -1.032787 23 7 0 5.050779 -0.906970 -0.031581 24 1 0 3.084183 -1.395271 -0.184388 25 6 0 6.102303 0.082525 0.114510 26 6 0 5.474391 -2.275839 -0.241017 27 1 0 6.786174 -0.229533 0.895638 28 1 0 5.668417 1.032444 0.374291 29 1 0 6.656865 0.182415 -0.813053 30 1 0 6.083897 -2.611179 0.590661 31 1 0 6.058648 -2.360175 -1.151550 32 1 0 4.614312 -2.925502 -0.321530 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5650047 0.1450421 0.1183738 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.2068828912 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.38D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 -0.000342 0.000021 0.000089 Ang= -0.04 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58130265 A.U. after 11 cycles NFock= 11 Conv=0.30D-08 -V/T= 2.0038 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 -0.000109094 0.000305893 -0.000012850 2 6 0.000026747 -0.000054974 -0.000030419 3 8 0.000065417 -0.000126533 -0.000170458 4 7 -0.000011669 -0.000155808 0.000166289 5 8 -0.000009245 -0.000054929 -0.000093101 6 6 0.000035817 0.000220730 0.000271409 7 6 -0.000133230 -0.000227088 0.000007249 8 7 -0.000093335 0.000237163 -0.000158847 9 6 0.000291454 -0.000131299 0.000038168 10 7 -0.000214371 -0.000097063 0.000389513 11 6 0.000139396 0.000084853 -0.000304961 12 7 0.000039267 -0.000031457 0.000114643 13 6 0.000005824 0.000100626 -0.000071873 14 7 -0.000075309 -0.000046680 -0.000105152 15 1 0.000045700 -0.000067084 0.000047116 16 1 -0.000022419 -0.000012542 -0.000052547 17 1 -0.000022571 0.000003160 0.000002331 18 6 -0.000140543 -0.000083479 -0.000180762 19 35 0.000019196 0.000043162 -0.000001423 20 1 -0.000001395 -0.000003905 -0.000007643 21 1 -0.000003978 -0.000010713 0.000012774 22 1 0.000027142 -0.000062549 0.000098291 23 7 0.000075249 0.000064950 -0.000110695 24 1 -0.000016194 0.000024633 0.000055984 25 6 -0.000001870 0.000054571 0.000040371 26 6 -0.000037226 0.000046595 0.000126974 27 1 0.000050646 -0.000000767 0.000016126 28 1 0.000062494 -0.000048016 -0.000008264 29 1 0.000027050 0.000011147 -0.000032412 30 1 0.000021796 0.000014083 0.000011025 31 1 -0.000030545 0.000018747 -0.000007956 32 1 -0.000010203 -0.000015430 -0.000048901 ------------------------------------------------------------------- Cartesian Forces: Max 0.000389513 RMS 0.000109086 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000228584 RMS 0.000060137 Search for a local minimum. Step number 38 out of a maximum of 168 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 34 35 36 37 38 DE= -1.63D-05 DEPred=-1.69D-05 R= 9.68D-01 TightC=F SS= 1.41D+00 RLast= 1.46D-01 DXNew= 1.0904D+00 4.3923D-01 Trust test= 9.68D-01 RLast= 1.46D-01 DXMaxT set to 6.48D-01 ITU= 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 ITU= 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00026 0.00209 0.00305 0.00604 0.00694 Eigenvalues --- 0.00796 0.01169 0.01666 0.01721 0.01818 Eigenvalues --- 0.01900 0.02141 0.02373 0.02605 0.02666 Eigenvalues --- 0.03282 0.04013 0.04276 0.05488 0.05512 Eigenvalues --- 0.05788 0.05874 0.06501 0.06615 0.07180 Eigenvalues --- 0.07650 0.07735 0.07789 0.08108 0.08962 Eigenvalues --- 0.15295 0.15593 0.15982 0.15995 0.16015 Eigenvalues --- 0.16025 0.16087 0.16185 0.16232 0.16443 Eigenvalues --- 0.17015 0.17455 0.18890 0.19646 0.21447 Eigenvalues --- 0.23206 0.23435 0.24027 0.24551 0.24800 Eigenvalues --- 0.24930 0.25309 0.25839 0.27619 0.28939 Eigenvalues --- 0.30069 0.31777 0.32356 0.32895 0.33675 Eigenvalues --- 0.33745 0.33748 0.33768 0.33784 0.33867 Eigenvalues --- 0.33988 0.34408 0.34836 0.37087 0.37610 Eigenvalues --- 0.38525 0.39394 0.40734 0.41374 0.42642 Eigenvalues --- 0.43897 0.44585 0.48210 0.48706 0.49501 Eigenvalues --- 0.50714 0.51018 0.51567 0.56301 0.59451 Eigenvalues --- 0.61882 0.70609 0.73542 0.80424 0.87624 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 38 37 36 35 34 33 32 31 30 29 RFO step: Lambda=-6.95775368D-06. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. RFO-DIIS uses 8 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.59232 0.06263 -0.14217 -0.91767 0.59858 RFO-DIIS coefs: -0.43213 0.20839 0.03006 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.01575895 RMS(Int)= 0.00033202 Iteration 2 RMS(Cart)= 0.00034791 RMS(Int)= 0.00000869 Iteration 3 RMS(Cart)= 0.00000015 RMS(Int)= 0.00000869 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87751 -0.00006 -0.00006 -0.00001 -0.00007 2.87744 R2 2.61472 0.00021 -0.00004 0.00031 0.00027 2.61499 R3 2.77507 -0.00002 0.00027 -0.00033 -0.00006 2.77501 R4 2.03261 -0.00002 0.00007 -0.00008 -0.00000 2.03261 R5 2.04821 -0.00003 0.00008 -0.00008 0.00001 2.04822 R6 2.04820 0.00001 -0.00003 0.00001 -0.00002 2.04818 R7 2.04563 0.00001 -0.00002 -0.00001 -0.00003 2.04560 R8 1.79214 0.00005 -0.00009 0.00011 0.00002 1.79216 R9 2.58824 -0.00006 0.00022 -0.00029 -0.00007 2.58817 R10 2.42646 -0.00004 0.00024 -0.00015 0.00010 2.42656 R11 2.25709 0.00001 -0.00004 0.00003 -0.00001 2.25708 R12 2.71865 0.00007 -0.00047 0.00039 -0.00008 2.71857 R13 2.65596 -0.00004 0.00071 -0.00051 0.00021 2.65616 R14 2.60119 -0.00012 0.00038 -0.00040 -0.00002 2.60117 R15 2.58058 0.00006 0.00026 -0.00010 0.00016 2.58074 R16 2.39733 0.00023 -0.00044 0.00043 -0.00001 2.39732 R17 2.59963 -0.00017 0.00068 -0.00054 0.00014 2.59978 R18 3.54109 -0.00005 -0.00023 0.00007 -0.00016 3.54093 R19 2.57761 0.00015 -0.00071 0.00060 -0.00012 2.57750 R20 2.55525 -0.00002 0.00008 -0.00008 0.00000 2.55525 R21 2.44997 0.00007 0.00015 -0.00001 0.00013 2.45011 R22 2.56394 0.00005 0.00002 0.00003 0.00005 2.56399 R23 1.88538 -0.00000 -0.00004 0.00002 -0.00002 1.88536 R24 2.50581 0.00021 -0.00043 0.00042 -0.00001 2.50580 R25 2.03612 -0.00001 -0.00006 0.00002 -0.00004 2.03609 R26 2.74248 -0.00001 0.00005 -0.00014 -0.00009 2.74239 R27 2.73659 -0.00006 -0.00011 -0.00008 -0.00018 2.73640 R28 2.04861 0.00003 0.00034 0.00015 0.00049 2.04910 R29 2.03362 -0.00007 -0.00015 -0.00010 -0.00025 2.03338 R30 2.05093 0.00004 -0.00023 0.00004 -0.00019 2.05074 R31 2.04897 0.00003 0.00017 0.00008 0.00025 2.04922 R32 2.05063 -0.00001 -0.00016 -0.00003 -0.00018 2.05045 R33 2.04255 -0.00000 -0.00002 -0.00001 -0.00004 2.04251 A1 1.97632 -0.00011 0.00039 -0.00054 -0.00015 1.97617 A2 1.95015 0.00004 -0.00043 0.00063 0.00020 1.95035 A3 1.91136 0.00001 -0.00050 0.00021 -0.00029 1.91106 A4 1.95233 0.00007 0.00002 -0.00001 0.00001 1.95235 A5 1.84733 -0.00001 0.00052 -0.00048 0.00004 1.84737 A6 1.81592 0.00001 0.00000 0.00019 0.00019 1.81611 A7 1.90212 -0.00007 -0.00006 -0.00012 -0.00018 1.90193 A8 1.92262 0.00001 -0.00047 0.00037 -0.00010 1.92252 A9 1.95021 0.00002 0.00048 -0.00024 0.00024 1.95046 A10 1.90003 0.00004 -0.00021 0.00024 0.00003 1.90006 A11 1.89639 0.00001 -0.00001 0.00001 -0.00001 1.89638 A12 1.89170 -0.00001 0.00026 -0.00024 0.00001 1.89172 A13 1.92978 -0.00002 0.00039 -0.00041 -0.00002 1.92975 A14 2.04155 -0.00005 0.00022 -0.00025 -0.00003 2.04152 A15 2.27695 -0.00004 0.00028 -0.00023 0.00006 2.27700 A16 2.09881 0.00002 -0.00012 0.00008 -0.00004 2.09878 A17 1.90742 0.00003 -0.00017 0.00015 -0.00002 1.90740 A18 2.27924 -0.00000 -0.00020 0.00014 -0.00006 2.27918 A19 2.07711 -0.00003 0.00044 -0.00033 0.00010 2.07721 A20 1.92684 0.00003 -0.00024 0.00019 -0.00005 1.92679 A21 1.81792 -0.00002 0.00000 0.00002 0.00002 1.81794 A22 2.00397 0.00001 0.00006 -0.00005 0.00001 2.00398 A23 2.14726 0.00001 0.00026 -0.00017 0.00009 2.14735 A24 2.13182 -0.00002 -0.00031 0.00021 -0.00010 2.13172 A25 2.28071 0.00003 -0.00040 0.00033 -0.00007 2.28064 A26 2.18200 -0.00003 0.00047 -0.00040 0.00007 2.18207 A27 1.82047 -0.00000 -0.00011 0.00008 -0.00004 1.82044 A28 1.85555 -0.00003 0.00029 -0.00024 0.00005 1.85560 A29 2.24032 0.00002 -0.00032 0.00023 -0.00009 2.24023 A30 2.18727 0.00001 0.00003 0.00000 0.00004 2.18730 A31 1.97795 -0.00002 0.00015 -0.00009 0.00005 1.97801 A32 2.17300 -0.00009 -0.00010 0.00004 -0.00006 2.17294 A33 1.96726 0.00007 0.00011 -0.00004 0.00007 1.96733 A34 2.14291 0.00002 -0.00001 -0.00000 -0.00001 2.14290 A35 2.22058 -0.00002 -0.00007 0.00004 -0.00003 2.22055 A36 2.02342 0.00001 0.00007 -0.00003 0.00004 2.02347 A37 2.03917 0.00001 -0.00001 -0.00000 -0.00001 2.03916 A38 2.15479 0.00021 0.00013 0.00081 0.00093 2.15573 A39 2.12034 -0.00012 -0.00001 -0.00044 -0.00044 2.11990 A40 2.00805 -0.00010 -0.00013 -0.00037 -0.00049 2.00756 A41 2.13036 0.00023 0.00049 0.00142 0.00185 2.13221 A42 2.11603 -0.00008 0.00064 -0.00036 0.00023 2.11626 A43 2.03432 -0.00015 0.00020 -0.00106 -0.00092 2.03340 A44 1.91065 -0.00003 0.00202 -0.00001 0.00201 1.91266 A45 1.91135 -0.00003 -0.00043 0.00014 -0.00030 1.91106 A46 1.92511 0.00001 -0.00157 -0.00061 -0.00219 1.92293 A47 1.91186 0.00004 -0.00067 0.00058 -0.00010 1.91177 A48 1.89650 -0.00000 0.00003 -0.00037 -0.00034 1.89616 A49 1.90825 0.00002 0.00063 0.00029 0.00091 1.90916 A50 1.92394 0.00003 0.00055 0.00015 0.00070 1.92464 A51 1.93084 -0.00006 -0.00056 -0.00043 -0.00099 1.92985 A52 1.92427 -0.00001 0.00000 0.00023 0.00024 1.92451 A53 1.89327 0.00001 -0.00003 -0.00009 -0.00012 1.89315 A54 1.89500 0.00002 0.00018 0.00011 0.00029 1.89529 A55 1.89570 0.00001 -0.00014 0.00004 -0.00011 1.89559 D1 0.97113 -0.00004 0.00065 -0.00047 0.00018 0.97131 D2 3.05459 -0.00003 0.00008 -0.00003 0.00005 3.05464 D3 -1.12481 -0.00003 0.00041 -0.00025 0.00016 -1.12465 D4 -3.08850 -0.00001 0.00065 -0.00040 0.00025 -3.08825 D5 -1.00504 -0.00000 0.00007 0.00005 0.00012 -1.00492 D6 1.09875 0.00001 0.00040 -0.00017 0.00023 1.09898 D7 -1.08598 0.00003 0.00010 0.00032 0.00042 -1.08556 D8 0.99749 0.00004 -0.00048 0.00077 0.00029 0.99778 D9 3.10128 0.00005 -0.00015 0.00055 0.00040 3.10168 D10 0.98503 -0.00004 -0.00513 0.00046 -0.00467 0.98036 D11 -1.23738 -0.00006 -0.00488 0.00005 -0.00483 -1.24222 D12 3.07908 -0.00009 -0.00518 0.00009 -0.00509 3.07399 D13 -1.21280 0.00003 -0.00237 0.00029 -0.00208 -1.21487 D14 1.93326 0.00009 0.00447 0.00057 0.00505 1.93831 D15 1.02361 -0.00004 -0.00217 0.00008 -0.00210 1.02151 D16 -2.11351 0.00003 0.00466 0.00036 0.00502 -2.10849 D17 3.00986 -0.00001 -0.00156 -0.00038 -0.00194 3.00792 D18 -0.12727 0.00006 0.00528 -0.00010 0.00518 -0.12208 D19 0.10313 0.00005 -0.00364 0.00108 -0.00256 0.10056 D20 -3.04348 0.00003 -0.00228 -0.00022 -0.00250 -3.04598 D21 -3.11237 0.00010 -0.00566 0.00155 -0.00411 -3.11648 D22 0.02945 -0.00001 -0.00440 0.00116 -0.00324 0.02621 D23 0.00538 -0.00005 0.00010 0.00019 0.00029 0.00567 D24 -3.13915 -0.00005 -0.00138 0.00099 -0.00039 -3.13954 D25 -3.13808 0.00005 -0.00011 0.00028 0.00017 -3.13791 D26 0.00058 0.00005 -0.00160 0.00108 -0.00051 0.00006 D27 3.14088 0.00003 0.00143 -0.00100 0.00044 3.14132 D28 -0.00677 0.00005 -0.00035 0.00018 -0.00017 -0.00693 D29 0.00093 -0.00005 0.00162 -0.00108 0.00054 0.00148 D30 3.13647 -0.00004 -0.00017 0.00011 -0.00006 3.13641 D31 -3.13944 0.00003 -0.00172 0.00126 -0.00047 -3.13991 D32 0.00489 0.00003 -0.00034 0.00051 0.00018 0.00506 D33 3.13734 -0.00005 0.00109 -0.00123 -0.00014 3.13720 D34 0.00545 -0.00001 0.00074 -0.00046 0.00028 0.00572 D35 -0.00663 -0.00004 -0.00011 -0.00058 -0.00069 -0.00733 D36 -3.13852 -0.00001 -0.00047 0.00019 -0.00028 -3.13880 D37 -0.00125 0.00000 0.00068 -0.00025 0.00043 -0.00082 D38 -3.12546 -0.00001 -0.00030 0.00041 0.00010 -3.12536 D39 -3.14056 0.00003 0.00502 0.00014 0.00516 -3.13540 D40 -0.00274 -0.00003 -0.00076 -0.00010 -0.00086 -0.00360 D41 -0.01618 0.00004 0.00600 -0.00051 0.00549 -0.01069 D42 3.12164 -0.00002 0.00022 -0.00075 -0.00053 3.12111 D43 -3.13960 -0.00001 -0.00487 0.00018 -0.00469 3.13890 D44 -0.00733 -0.00005 -0.00453 -0.00055 -0.00509 -0.01242 D45 0.00549 0.00004 0.00048 0.00040 0.00088 0.00637 D46 3.13776 0.00001 0.00082 -0.00033 0.00049 3.13824 D47 -0.01212 -0.00003 0.00046 -0.00040 0.00006 -0.01206 D48 3.14089 0.00001 0.00004 0.00051 0.00055 3.14144 D49 -3.13417 0.00001 0.00092 -0.00093 -0.00001 -3.13418 D50 0.01291 0.00003 -0.00056 0.00049 -0.00008 0.01284 D51 3.13794 0.00003 -0.00189 0.00157 -0.00032 3.13762 D52 0.00245 0.00002 -0.00009 0.00037 0.00028 0.00273 D53 -0.00856 0.00001 -0.00056 0.00030 -0.00026 -0.00882 D54 3.13913 0.00000 0.00124 -0.00089 0.00034 3.13948 D55 -0.01140 -0.00005 0.00555 0.00006 0.00560 -0.00580 D56 -3.07480 -0.00007 -0.01550 0.00004 -0.01545 -3.09025 D57 3.12999 0.00006 0.00437 0.00042 0.00477 3.13476 D58 0.06658 0.00004 -0.01668 0.00040 -0.01627 0.05031 D59 2.28233 -0.00000 -0.05632 0.00053 -0.05578 2.22655 D60 0.18597 -0.00002 -0.05647 -0.00025 -0.05672 0.12925 D61 -1.91492 -0.00002 -0.05599 -0.00031 -0.05629 -1.97121 D62 -0.93399 0.00002 -0.03620 0.00057 -0.03564 -0.96963 D63 -3.03035 0.00001 -0.03635 -0.00022 -0.03657 -3.06692 D64 1.15195 0.00000 -0.03586 -0.00027 -0.03614 1.11580 D65 -2.18039 0.00002 0.02061 0.00046 0.02108 -2.15930 D66 2.00880 0.00003 0.02065 0.00076 0.02142 2.03022 D67 -0.08844 0.00006 0.02119 0.00084 0.02204 -0.06640 D68 1.03528 -0.00002 0.00073 0.00035 0.00106 1.03634 D69 -1.05873 -0.00001 0.00077 0.00064 0.00140 -1.05733 D70 3.12722 0.00002 0.00131 0.00072 0.00202 3.12924 Item Value Threshold Converged? Maximum Force 0.000229 0.000450 YES RMS Force 0.000060 0.000300 YES Maximum Displacement 0.117037 0.001800 NO RMS Displacement 0.015765 0.001200 NO Predicted change in Energy=-3.221147D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.205715 -4.822286 2.216461 2 6 0 7.224082 -5.006318 3.727863 3 8 0 7.412375 -6.000463 1.520704 4 7 0 7.640385 0.085811 0.315071 5 8 0 3.237480 -0.886034 0.079338 6 6 0 4.299377 -1.325706 0.404374 7 6 0 4.648988 -2.604479 0.963029 8 7 0 3.862586 -3.689499 1.277685 9 6 0 4.680696 -4.542486 1.738639 10 7 0 5.992152 -4.127863 1.767621 11 6 0 5.957645 -2.864738 1.254114 12 7 0 7.029805 -2.056704 1.093053 13 6 0 6.731123 -0.902791 0.582862 14 7 0 5.461517 -0.548078 0.261622 15 1 0 8.005699 -4.164951 1.925128 16 1 0 8.159520 -5.472621 4.014732 17 1 0 7.145710 -4.044889 4.222071 18 6 0 8.880187 -0.201295 0.486313 19 35 0 4.161900 -6.249070 2.312624 20 1 0 5.332338 0.362871 -0.124213 21 1 0 6.407590 -5.631540 4.065824 22 1 0 6.773202 -6.653597 1.774230 23 7 0 9.865704 0.664511 0.292812 24 1 0 9.191590 -1.183150 0.802366 25 6 0 9.622417 2.027529 -0.141938 26 6 0 11.251389 0.270649 0.439699 27 1 0 10.118063 2.717846 0.531546 28 1 0 8.563988 2.221274 -0.140913 29 1 0 10.015018 2.176957 -1.142541 30 1 0 11.747677 0.905763 1.165133 31 1 0 11.774525 0.356322 -0.507043 32 1 0 11.315557 -0.753976 0.777733 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522676 0.000000 3 O 1.383794 2.428030 0.000000 4 N 5.281443 6.144122 6.208725 0.000000 5 O 5.984001 6.795695 6.757564 4.515045 0.000000 6 C 4.894541 5.757290 5.726282 3.628043 1.194397 7 C 3.609240 4.477080 4.413617 4.075042 2.392973 8 N 3.652536 4.363146 4.242713 5.426910 3.112267 9 C 2.585019 3.262049 3.104072 5.675159 4.266824 10 N 1.468474 2.476264 2.363183 4.752012 4.576895 11 C 2.513123 3.508513 3.466999 3.524082 3.562957 12 N 2.990223 3.959823 3.985283 2.359753 4.096318 13 C 4.272742 5.193551 5.227802 1.369600 3.529782 14 N 5.013230 5.915858 5.926182 2.269833 2.256941 15 H 1.075611 2.137447 1.970963 4.560122 6.074055 16 H 2.136928 1.083871 2.656505 6.697250 7.794266 17 H 2.151841 1.083850 3.345559 5.707191 6.512669 18 C 5.210646 6.028150 6.070814 1.284080 5.698653 19 Br 3.363001 3.595037 3.354778 7.498053 5.882540 20 H 5.989503 6.873528 6.893789 2.365759 2.447372 21 H 2.170723 1.082487 2.761038 6.948095 6.961429 22 H 1.932960 2.594899 0.948368 6.949875 6.974150 23 N 6.393818 7.136950 7.207525 2.299442 6.810515 24 H 4.380259 5.200599 5.185375 2.062512 6.005204 25 C 7.636915 8.378687 8.491014 2.812042 7.021769 26 C 6.742577 7.407942 7.431920 3.617879 8.104969 27 H 8.256773 8.846146 9.181944 3.621237 7.780416 28 H 7.550752 8.306677 8.466649 2.370900 6.170540 29 H 8.256178 9.116447 8.985367 3.483734 7.537236 30 H 7.385476 7.872942 8.161938 4.273731 8.764300 31 H 7.423576 8.209682 7.971751 4.223761 8.646874 32 H 5.959185 6.597413 6.581220 3.798181 8.109286 6 7 8 9 10 6 C 0.000000 7 C 1.438605 0.000000 8 N 2.557532 1.376482 0.000000 9 C 3.503332 2.087689 1.268609 0.000000 10 N 3.546267 2.184526 2.228733 1.375742 0.000000 11 C 2.416719 1.365668 2.251679 2.163377 1.363952 12 N 2.909274 2.446478 3.568106 3.480546 2.412771 13 C 2.474693 2.715797 4.059189 4.334448 3.514373 14 N 1.405579 2.319690 3.668445 4.329729 3.919753 15 H 4.910278 3.824685 4.220263 3.351560 2.020039 16 H 6.718057 5.464702 5.397647 4.260043 3.399319 17 H 5.483646 4.350834 4.424321 3.534308 2.713283 18 C 4.717504 4.889336 6.161993 6.168467 5.039885 19 Br 5.282029 3.916849 2.777066 1.873777 2.854185 20 H 2.048831 3.233300 4.532901 5.287474 4.917426 21 H 6.032494 4.677939 4.245266 3.095802 2.777655 22 H 6.031811 4.643887 4.183793 2.972648 2.643751 23 N 5.912479 6.192707 7.480962 7.489161 6.336112 24 H 4.910445 4.762481 5.908129 5.701745 4.454150 25 C 6.314856 6.885598 8.238652 8.433402 7.396898 26 C 7.133027 7.220245 8.424927 8.247879 6.983542 27 H 7.086861 7.643566 8.985643 9.150653 8.087939 28 H 5.573627 6.311403 7.684584 8.022538 7.111145 29 H 6.879691 7.489315 8.838846 9.050254 8.025163 30 H 7.812515 7.921745 9.127089 8.941730 7.669841 31 H 7.716070 7.854981 9.063812 8.908636 7.662757 32 H 7.049330 6.921115 8.025834 7.700488 6.379783 11 12 13 14 15 11 C 0.000000 12 N 1.352178 0.000000 13 C 2.213161 1.296542 0.000000 14 N 2.568676 2.329541 1.356804 0.000000 15 H 2.517010 2.467675 3.750721 4.724604 0.000000 16 H 4.389798 4.634755 5.890789 6.753976 2.469840 17 H 3.407789 3.709052 4.825816 5.545210 2.455594 18 C 4.027989 2.689719 2.262719 3.443552 4.306447 19 Br 3.974777 5.223808 6.178647 6.196525 4.389590 20 H 3.564863 3.196478 2.014561 0.997689 5.643388 21 H 3.970309 4.690839 5.881901 6.419392 3.047526 22 H 3.910385 4.654167 5.873065 6.425408 2.781219 23 N 5.352814 4.010950 3.516556 4.568174 5.426580 24 H 3.672902 2.349661 2.486098 3.822194 3.399715 25 C 6.270071 4.992775 4.179916 4.910164 6.725574 26 C 6.206258 4.864690 4.672287 5.850184 5.693465 27 H 6.999744 5.713927 4.958126 5.694079 7.333284 28 H 5.882741 4.709298 3.693647 4.178118 6.735286 29 H 6.901080 5.642097 4.821393 5.489250 7.325827 30 H 6.910070 5.571331 5.364301 6.515044 6.347609 31 H 6.878443 5.558360 5.311230 6.423617 6.368784 32 H 5.778362 4.490456 4.590986 5.880353 4.889419 16 17 18 19 20 16 H 0.000000 17 H 1.763298 0.000000 18 C 6.384042 5.633606 0.000000 19 Br 4.413730 4.172233 7.885001 0.000000 20 H 7.692646 6.450337 3.643934 7.143239 0.000000 21 H 1.759865 1.756899 6.958031 2.915164 7.392262 22 H 2.887288 3.596671 6.908713 2.696741 7.410196 23 N 7.377543 6.709388 1.326011 9.187526 4.562489 24 H 5.457474 4.906073 1.077452 7.296726 4.259408 25 C 8.698864 7.877367 2.431720 10.214902 4.601758 26 C 7.438122 7.055976 2.418161 9.812005 5.946568 27 H 9.113300 8.257690 3.171083 10.911174 5.373927 28 H 8.753800 7.766076 2.522347 9.856214 3.727935 29 H 9.410440 8.701916 3.097916 10.825668 5.124001 30 H 7.853590 7.418351 3.147836 10.490586 6.566104 31 H 8.215308 7.947396 3.110447 10.465839 6.453555 32 H 6.534856 6.330971 2.514241 9.150233 6.153028 21 22 23 24 25 21 H 0.000000 22 H 2.535680 0.000000 23 N 8.113841 8.081638 0.000000 24 H 6.179723 6.059612 2.031730 0.000000 25 C 9.311375 9.335506 1.451212 3.374283 0.000000 26 C 8.452632 8.353461 1.448042 2.547122 2.465458 27 H 9.796478 10.027777 2.082514 4.018641 1.084335 28 H 9.165881 9.254082 2.075113 3.588004 1.076017 29 H 10.055507 9.848634 2.090460 3.968755 1.085205 30 H 8.925630 9.069748 2.088293 3.320955 2.735603 31 H 9.250383 8.908220 2.092450 3.279646 2.749146 32 H 7.660960 7.512091 2.085504 2.167033 3.383680 26 27 28 29 30 26 C 0.000000 27 H 2.698452 0.000000 28 H 3.371080 1.764634 0.000000 29 H 2.768774 1.762312 1.763721 0.000000 30 H 1.084401 2.518079 3.684047 3.153315 0.000000 31 H 1.085049 3.065833 3.730905 2.610447 1.760335 32 H 1.080851 3.680781 4.155377 3.737542 1.758278 31 32 31 H 0.000000 32 H 1.758995 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.258365 -1.941921 0.001245 2 6 0 -1.769796 -2.512283 1.317174 3 8 0 -1.905237 -2.460841 -1.106530 4 7 0 3.349410 0.638777 0.046432 5 8 0 0.189972 3.864129 0.020199 6 6 0 0.350577 2.680579 0.019260 7 6 0 -0.608422 1.608311 0.007151 8 7 0 -1.984446 1.637691 -0.012742 9 6 0 -2.321000 0.414540 -0.013557 10 7 0 -1.270397 -0.473498 0.003462 11 6 0 -0.159904 0.318403 0.011369 12 7 0 1.117031 -0.125888 0.032051 13 6 0 1.993238 0.829765 0.035275 14 7 0 1.648850 2.142134 0.033963 15 1 0 -0.219872 -2.194462 -0.119978 16 1 0 -1.691115 -3.592878 1.287142 17 1 0 -1.173477 -2.140269 2.142243 18 6 0 3.768147 -0.570367 -0.060772 19 35 0 -4.105840 -0.153752 -0.062872 20 1 0 2.395612 2.803730 0.038597 21 1 0 -2.803576 -2.245213 1.495359 22 1 0 -2.841624 -2.326741 -1.038725 23 7 0 5.050821 -0.905774 -0.037212 24 1 0 3.083755 -1.394080 -0.179120 25 6 0 6.104949 0.081171 0.106899 26 6 0 5.472000 -2.278381 -0.225322 27 1 0 6.760664 -0.203711 0.922167 28 1 0 5.670137 1.043333 0.314250 29 1 0 6.690382 0.139394 -0.804993 30 1 0 6.071368 -2.606281 0.616798 31 1 0 6.066018 -2.374593 -1.128215 32 1 0 4.610807 -2.926215 -0.308376 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5648012 0.1450581 0.1183638 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.1640132422 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.38D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000073 0.000049 -0.000020 Ang= -0.01 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58130731 A.U. after 11 cycles NFock= 11 Conv=0.32D-08 -V/T= 2.0038 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 -0.000103381 0.000219667 0.000021418 2 6 0.000044641 -0.000040823 -0.000017514 3 8 0.000059577 -0.000051992 -0.000106644 4 7 0.000027521 -0.000079194 0.000138585 5 8 -0.000010061 -0.000055835 -0.000097116 6 6 0.000098269 0.000278699 0.000291413 7 6 -0.000057720 -0.000270825 -0.000006561 8 7 -0.000082507 0.000209846 -0.000127055 9 6 0.000322101 -0.000116037 0.000058721 10 7 -0.000222201 -0.000205031 0.000240348 11 6 0.000084092 0.000245949 -0.000248710 12 7 0.000008001 -0.000021338 0.000092528 13 6 0.000015945 0.000056923 -0.000100508 14 7 -0.000071575 -0.000106325 -0.000098459 15 1 0.000018098 -0.000054995 0.000003326 16 1 -0.000021334 -0.000008323 -0.000037590 17 1 -0.000023920 0.000000259 0.000014001 18 6 -0.000130538 -0.000079723 -0.000144805 19 35 0.000002175 0.000012574 0.000000064 20 1 -0.000009435 0.000001374 -0.000001439 21 1 -0.000007926 -0.000001471 0.000006162 22 1 -0.000005483 -0.000031797 0.000069069 23 7 0.000034648 0.000053042 -0.000056444 24 1 -0.000007558 0.000019345 0.000039998 25 6 0.000007207 0.000001021 0.000019645 26 6 -0.000008208 0.000032816 0.000068998 27 1 0.000028359 -0.000003396 0.000007335 28 1 0.000012935 -0.000013309 -0.000002709 29 1 0.000005836 -0.000002614 -0.000011043 30 1 0.000018402 0.000005293 0.000017110 31 1 -0.000020869 0.000017552 -0.000002971 32 1 -0.000005092 -0.000011330 -0.000029150 ------------------------------------------------------------------- Cartesian Forces: Max 0.000322101 RMS 0.000099993 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000201364 RMS 0.000044410 Search for a local minimum. Step number 39 out of a maximum of 168 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 35 36 37 38 39 DE= -4.66D-06 DEPred=-3.22D-06 R= 1.45D+00 TightC=F SS= 1.41D+00 RLast= 1.25D-01 DXNew= 1.0904D+00 3.7583D-01 Trust test= 1.45D+00 RLast= 1.25D-01 DXMaxT set to 6.48D-01 ITU= 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00023 0.00202 0.00305 0.00622 0.00663 Eigenvalues --- 0.00734 0.01157 0.01667 0.01722 0.01817 Eigenvalues --- 0.01903 0.02141 0.02375 0.02603 0.02667 Eigenvalues --- 0.03286 0.04015 0.04276 0.05486 0.05515 Eigenvalues --- 0.05789 0.05881 0.06492 0.06604 0.07161 Eigenvalues --- 0.07653 0.07733 0.07789 0.08078 0.09012 Eigenvalues --- 0.15291 0.15574 0.15983 0.15997 0.16015 Eigenvalues --- 0.16025 0.16087 0.16182 0.16239 0.16453 Eigenvalues --- 0.17039 0.17422 0.18883 0.19609 0.21447 Eigenvalues --- 0.23202 0.23441 0.24055 0.24519 0.24810 Eigenvalues --- 0.25045 0.25377 0.25833 0.27569 0.28957 Eigenvalues --- 0.30021 0.31977 0.32344 0.32833 0.33675 Eigenvalues --- 0.33746 0.33748 0.33768 0.33785 0.33867 Eigenvalues --- 0.33977 0.34457 0.34826 0.37013 0.37430 Eigenvalues --- 0.38497 0.39401 0.40779 0.41372 0.42412 Eigenvalues --- 0.43890 0.44592 0.48384 0.48728 0.49513 Eigenvalues --- 0.50835 0.51173 0.51313 0.56338 0.57868 Eigenvalues --- 0.63291 0.70421 0.72438 0.80469 0.87607 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 39 38 37 36 35 34 33 32 31 30 RFO step: Lambda=-3.14018132D-06. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. RFO-DIIS uses 7 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 2.70787 -1.87470 -0.18945 -0.19377 0.39534 RFO-DIIS coefs: 0.23485 -0.08014 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00900370 RMS(Int)= 0.00009570 Iteration 2 RMS(Cart)= 0.00009999 RMS(Int)= 0.00001737 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00001737 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87744 -0.00003 -0.00013 -0.00000 -0.00013 2.87731 R2 2.61499 0.00010 0.00055 -0.00003 0.00052 2.61551 R3 2.77501 -0.00006 -0.00031 -0.00016 -0.00048 2.77454 R4 2.03261 -0.00002 -0.00005 -0.00003 -0.00008 2.03253 R5 2.04822 -0.00002 -0.00006 -0.00002 -0.00008 2.04814 R6 2.04818 0.00001 -0.00001 0.00002 0.00001 2.04819 R7 2.04560 0.00001 0.00001 -0.00000 0.00001 2.04561 R8 1.79216 0.00004 0.00012 -0.00004 0.00008 1.79223 R9 2.58817 -0.00008 -0.00016 -0.00004 -0.00020 2.58797 R10 2.42656 -0.00008 -0.00010 -0.00006 -0.00016 2.42640 R11 2.25708 0.00001 0.00000 0.00003 0.00003 2.25712 R12 2.71857 0.00007 0.00015 0.00012 0.00028 2.71885 R13 2.65616 -0.00010 -0.00003 -0.00027 -0.00030 2.65586 R14 2.60117 -0.00009 -0.00031 -0.00002 -0.00034 2.60084 R15 2.58074 -0.00002 0.00012 -0.00015 -0.00004 2.58070 R16 2.39732 0.00020 0.00029 0.00010 0.00039 2.39772 R17 2.59978 -0.00020 -0.00032 -0.00024 -0.00055 2.59922 R18 3.54093 -0.00001 -0.00024 0.00007 -0.00016 3.54076 R19 2.57750 0.00019 0.00025 0.00027 0.00052 2.57802 R20 2.55525 -0.00004 -0.00005 -0.00004 -0.00008 2.55516 R21 2.45011 0.00002 0.00013 -0.00010 0.00003 2.45014 R22 2.56399 0.00001 0.00003 0.00006 0.00009 2.56408 R23 1.88536 0.00000 0.00001 -0.00000 0.00000 1.88536 R24 2.50580 0.00010 0.00024 -0.00011 0.00013 2.50593 R25 2.03609 -0.00001 0.00000 -0.00002 -0.00002 2.03607 R26 2.74239 -0.00003 -0.00003 -0.00010 -0.00013 2.74226 R27 2.73640 -0.00002 -0.00017 0.00014 -0.00004 2.73637 R28 2.04910 0.00002 0.00031 -0.00005 0.00025 2.04935 R29 2.03338 -0.00002 -0.00018 0.00015 -0.00003 2.03335 R30 2.05074 0.00001 -0.00010 -0.00003 -0.00013 2.05061 R31 2.04922 0.00002 0.00027 0.00000 0.00027 2.04949 R32 2.05045 -0.00001 -0.00022 0.00005 -0.00016 2.05028 R33 2.04251 0.00000 -0.00002 0.00000 -0.00002 2.04249 A1 1.97617 -0.00007 -0.00055 -0.00005 -0.00059 1.97558 A2 1.95035 0.00005 0.00049 0.00013 0.00062 1.95098 A3 1.91106 0.00002 -0.00007 0.00012 0.00005 1.91111 A4 1.95235 0.00002 -0.00010 -0.00002 -0.00012 1.95223 A5 1.84737 -0.00001 -0.00011 -0.00021 -0.00032 1.84706 A6 1.81611 -0.00000 0.00038 0.00001 0.00039 1.81650 A7 1.90193 -0.00004 -0.00031 -0.00010 -0.00041 1.90152 A8 1.92252 0.00003 0.00017 0.00009 0.00026 1.92278 A9 1.95046 0.00000 0.00008 0.00001 0.00010 1.95055 A10 1.90006 0.00002 0.00024 0.00002 0.00026 1.90032 A11 1.89638 0.00001 0.00003 -0.00001 0.00002 1.89640 A12 1.89172 -0.00002 -0.00020 -0.00001 -0.00021 1.89151 A13 1.92975 -0.00005 -0.00024 -0.00029 -0.00052 1.92923 A14 2.04152 -0.00002 -0.00009 0.00006 -0.00003 2.04149 A15 2.27700 -0.00004 -0.00007 -0.00020 -0.00026 2.27674 A16 2.09878 0.00001 -0.00000 0.00013 0.00013 2.09890 A17 1.90740 0.00003 0.00006 0.00007 0.00014 1.90754 A18 2.27918 0.00001 -0.00001 0.00007 0.00006 2.27924 A19 2.07721 -0.00006 -0.00013 -0.00018 -0.00031 2.07690 A20 1.92679 0.00005 0.00013 0.00012 0.00025 1.92704 A21 1.81794 -0.00001 -0.00005 0.00003 -0.00003 1.81791 A22 2.00398 -0.00001 0.00003 -0.00011 -0.00007 2.00391 A23 2.14735 0.00001 0.00004 -0.00008 -0.00004 2.14731 A24 2.13172 0.00001 -0.00006 0.00019 0.00012 2.13185 A25 2.28064 0.00001 -0.00000 -0.00002 -0.00004 2.28060 A26 2.18207 -0.00004 -0.00009 -0.00014 -0.00026 2.18181 A27 1.82044 0.00003 0.00004 0.00017 0.00019 1.82063 A28 1.85560 -0.00006 -0.00017 -0.00019 -0.00035 1.85525 A29 2.24023 0.00005 0.00010 0.00019 0.00028 2.24051 A30 2.18730 0.00001 0.00006 0.00001 0.00006 2.18737 A31 1.97801 -0.00003 -0.00006 -0.00008 -0.00014 1.97787 A32 2.17294 -0.00005 -0.00013 -0.00017 -0.00030 2.17264 A33 1.96733 0.00004 0.00009 0.00018 0.00028 1.96761 A34 2.14290 0.00001 0.00003 -0.00001 0.00002 2.14292 A35 2.22055 -0.00000 -0.00002 0.00002 0.00000 2.22055 A36 2.02347 -0.00001 0.00000 -0.00002 -0.00001 2.02345 A37 2.03916 0.00001 0.00002 -0.00000 0.00002 2.03918 A38 2.15573 0.00006 0.00080 -0.00071 0.00009 2.15582 A39 2.11990 -0.00003 -0.00042 0.00042 0.00000 2.11990 A40 2.00756 -0.00003 -0.00039 0.00029 -0.00009 2.00747 A41 2.13221 0.00008 0.00115 -0.00070 0.00058 2.13278 A42 2.11626 -0.00001 -0.00023 0.00049 0.00039 2.11665 A43 2.03340 -0.00007 -0.00067 0.00018 -0.00036 2.03304 A44 1.91266 -0.00002 0.00094 0.00002 0.00096 1.91362 A45 1.91106 -0.00001 -0.00015 0.00011 -0.00004 1.91102 A46 1.92293 -0.00000 -0.00130 0.00012 -0.00118 1.92175 A47 1.91177 0.00002 0.00016 -0.00020 -0.00004 1.91173 A48 1.89616 0.00000 -0.00017 0.00007 -0.00010 1.89606 A49 1.90916 0.00001 0.00052 -0.00013 0.00040 1.90956 A50 1.92464 0.00003 0.00103 -0.00008 0.00095 1.92560 A51 1.92985 -0.00004 -0.00121 0.00015 -0.00106 1.92878 A52 1.92451 -0.00000 0.00023 -0.00011 0.00011 1.92462 A53 1.89315 0.00000 -0.00010 0.00003 -0.00006 1.89309 A54 1.89529 0.00001 0.00040 -0.00002 0.00038 1.89566 A55 1.89559 0.00001 -0.00035 0.00003 -0.00032 1.89527 D1 0.97131 -0.00003 0.00004 -0.00008 -0.00004 0.97127 D2 3.05464 -0.00001 0.00024 -0.00007 0.00018 3.05482 D3 -1.12465 -0.00001 0.00016 -0.00001 0.00015 -1.12450 D4 -3.08825 -0.00002 -0.00014 -0.00003 -0.00017 -3.08843 D5 -1.00492 -0.00000 0.00006 -0.00002 0.00005 -1.00487 D6 1.09898 -0.00000 -0.00003 0.00004 0.00002 1.09899 D7 -1.08556 0.00002 0.00057 0.00013 0.00070 -1.08486 D8 0.99778 0.00003 0.00077 0.00015 0.00091 0.99869 D9 3.10168 0.00003 0.00068 0.00020 0.00088 3.10256 D10 0.98036 -0.00002 -0.00693 0.00060 -0.00632 0.97404 D11 -1.24222 -0.00004 -0.00706 0.00048 -0.00658 -1.24880 D12 3.07399 -0.00004 -0.00740 0.00059 -0.00681 3.06718 D13 -1.21487 0.00002 -0.00262 0.00007 -0.00254 -1.21742 D14 1.93831 0.00006 0.00781 -0.00059 0.00722 1.94552 D15 1.02151 -0.00002 -0.00304 0.00011 -0.00293 1.01858 D16 -2.10849 0.00001 0.00738 -0.00056 0.00683 -2.10167 D17 3.00792 -0.00002 -0.00300 -0.00014 -0.00314 3.00478 D18 -0.12208 0.00002 0.00742 -0.00081 0.00662 -0.11547 D19 0.10056 0.00005 0.00308 0.00183 0.00491 0.10547 D20 -3.04598 0.00002 0.00184 0.00221 0.00405 -3.04192 D21 -3.11648 0.00008 0.00000 -0.00049 -0.00049 -3.11697 D22 0.02621 -0.00000 -0.00163 0.00077 -0.00086 0.02535 D23 0.00567 -0.00006 -0.00117 -0.00012 -0.00129 0.00438 D24 -3.13954 -0.00005 -0.00120 0.00078 -0.00042 -3.13996 D25 -3.13791 0.00005 0.00122 -0.00025 0.00097 -3.13694 D26 0.00006 0.00006 0.00119 0.00066 0.00185 0.00191 D27 3.14132 0.00003 0.00086 -0.00092 -0.00006 3.14125 D28 -0.00693 0.00006 0.00114 0.00006 0.00121 -0.00573 D29 0.00148 -0.00006 -0.00125 -0.00081 -0.00206 -0.00058 D30 3.13641 -0.00004 -0.00096 0.00017 -0.00079 3.13562 D31 -3.13991 0.00003 0.00048 0.00041 0.00089 -3.13902 D32 0.00506 0.00002 0.00051 -0.00043 0.00007 0.00513 D33 3.13720 -0.00004 -0.00147 -0.00018 -0.00165 3.13555 D34 0.00572 -0.00002 -0.00023 -0.00043 -0.00066 0.00507 D35 -0.00733 -0.00003 -0.00150 0.00056 -0.00094 -0.00827 D36 -3.13880 -0.00001 -0.00025 0.00031 0.00005 -3.13875 D37 -0.00082 0.00000 0.00072 0.00015 0.00087 0.00006 D38 -3.12536 -0.00001 -0.00025 0.00053 0.00029 -3.12507 D39 -3.13540 0.00001 0.00716 -0.00037 0.00679 -3.12861 D40 -0.00360 -0.00002 -0.00164 0.00019 -0.00146 -0.00506 D41 -0.01069 0.00002 0.00813 -0.00076 0.00737 -0.00332 D42 3.12111 -0.00001 -0.00068 -0.00020 -0.00088 3.12023 D43 3.13890 0.00000 -0.00637 0.00008 -0.00628 3.13261 D44 -0.01242 -0.00002 -0.00756 0.00033 -0.00724 -0.01966 D45 0.00637 0.00003 0.00179 -0.00044 0.00136 0.00773 D46 3.13824 0.00001 0.00060 -0.00019 0.00040 3.13864 D47 -0.01206 -0.00003 -0.00089 0.00017 -0.00073 -0.01279 D48 3.14144 -0.00000 0.00057 -0.00013 0.00044 -3.14130 D49 -3.13418 -0.00000 -0.00047 0.00018 -0.00028 -3.13446 D50 0.01284 0.00004 0.00090 -0.00024 0.00066 0.01350 D51 3.13762 0.00005 0.00141 0.00027 0.00169 3.13930 D52 0.00273 0.00003 0.00112 -0.00072 0.00041 0.00314 D53 -0.00882 0.00001 0.00020 0.00065 0.00084 -0.00798 D54 3.13948 -0.00001 -0.00009 -0.00034 -0.00043 3.13904 D55 -0.00580 -0.00003 0.00393 0.00050 0.00443 -0.00137 D56 -3.09025 -0.00005 -0.01172 0.00098 -0.01073 -3.10099 D57 3.13476 0.00005 0.00547 -0.00069 0.00478 3.13954 D58 0.05031 0.00003 -0.01018 -0.00021 -0.01039 0.03992 D59 2.22655 0.00000 -0.03019 0.00007 -0.03012 2.19643 D60 0.12925 -0.00001 -0.03087 0.00023 -0.03064 0.09861 D61 -1.97121 -0.00001 -0.03062 0.00024 -0.03037 -2.00158 D62 -0.96963 0.00002 -0.01525 -0.00037 -0.01562 -0.98525 D63 -3.06692 0.00001 -0.01593 -0.00021 -0.01614 -3.08307 D64 1.11580 0.00001 -0.01568 -0.00020 -0.01588 1.09993 D65 -2.15930 0.00001 0.02102 0.00089 0.02191 -2.13739 D66 2.03022 0.00002 0.02125 0.00080 0.02206 2.05227 D67 -0.06640 0.00004 0.02232 0.00074 0.02306 -0.04334 D68 1.03634 -0.00000 0.00618 0.00137 0.00755 1.04389 D69 -1.05733 -0.00000 0.00642 0.00128 0.00770 -1.04963 D70 3.12924 0.00002 0.00748 0.00122 0.00870 3.13794 Item Value Threshold Converged? Maximum Force 0.000201 0.000450 YES RMS Force 0.000044 0.000300 YES Maximum Displacement 0.046601 0.001800 NO RMS Displacement 0.009004 0.001200 NO Predicted change in Energy=-3.679028D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.204796 -4.820710 2.217290 2 6 0 7.227399 -5.009857 3.727933 3 8 0 7.409205 -5.997230 1.517531 4 7 0 7.639742 0.085620 0.312333 5 8 0 3.236609 -0.886203 0.077919 6 6 0 4.298482 -1.325019 0.404251 7 6 0 4.647957 -2.603276 0.964550 8 7 0 3.861536 -3.687586 1.280824 9 6 0 4.679623 -4.539840 1.743744 10 7 0 5.990597 -4.124720 1.773448 11 6 0 5.956578 -2.862709 1.256448 12 7 0 7.028783 -2.055009 1.094394 13 6 0 6.730271 -0.902330 0.581284 14 7 0 5.460709 -0.548288 0.258927 15 1 0 8.004566 -4.163258 1.925790 16 1 0 8.163571 -5.477446 4.010115 17 1 0 7.150571 -4.050220 4.225865 18 6 0 8.879594 -0.202841 0.480273 19 35 0 4.160668 -6.245455 2.320184 20 1 0 5.331612 0.361857 -0.128836 21 1 0 6.411786 -5.636077 4.066179 22 1 0 6.773753 -6.652373 1.775343 23 7 0 9.865648 0.662016 0.284795 24 1 0 9.190756 -1.185088 0.795309 25 6 0 9.623288 2.027218 -0.143348 26 6 0 11.250973 0.270432 0.440704 27 1 0 10.098318 2.715546 0.547030 28 1 0 8.563826 2.213829 -0.165573 29 1 0 10.038450 2.187074 -1.133101 30 1 0 11.738659 0.896725 1.179729 31 1 0 11.782614 0.371033 -0.499712 32 1 0 11.315060 -0.758813 0.764378 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522606 0.000000 3 O 1.384069 2.427723 0.000000 4 N 5.281109 6.148189 6.205378 0.000000 5 O 5.983625 6.800994 6.753195 4.515194 0.000000 6 C 4.894244 5.762243 5.722373 3.627999 1.194414 7 C 3.608850 4.481232 4.410125 4.075086 2.392981 8 N 3.652167 4.366437 4.239863 5.426776 3.112115 9 C 2.584499 3.263293 3.102544 5.675044 4.266887 10 N 1.468223 2.476522 2.363099 4.752000 4.576818 11 C 2.512973 3.511904 3.464609 3.523782 3.562827 12 N 2.990147 3.963093 3.983074 2.359487 4.096329 13 C 4.272632 5.198106 5.224511 1.369496 3.529775 14 N 5.013045 5.921216 5.922136 2.269995 2.256894 15 H 1.075568 2.137391 1.970934 4.559529 6.073478 16 H 2.136532 1.083829 2.655601 6.700424 7.798502 17 H 2.151968 1.083854 3.345566 5.714910 6.521929 18 C 5.210267 6.031952 6.067363 1.283996 5.698434 19 Br 3.362618 3.593507 3.355422 7.497862 5.882451 20 H 5.989334 6.879243 6.889478 2.366094 2.447333 21 H 2.170732 1.082491 2.760595 6.952485 6.967731 22 H 1.932901 2.591575 0.948408 6.949164 6.974335 23 N 6.393352 7.140428 7.204118 2.299488 6.810575 24 H 4.379933 5.204220 5.181914 2.062428 6.004652 25 C 7.636480 8.381379 8.488371 2.812810 7.023293 26 C 6.741478 7.407865 7.429827 3.618234 8.105519 27 H 8.243627 8.834148 9.169824 3.607795 7.763743 28 H 7.550479 8.314269 8.460939 2.368881 6.168365 29 H 8.268237 9.128388 8.995644 3.501312 7.561524 30 H 7.370312 7.857005 8.147693 4.267480 8.756579 31 H 7.435906 8.220519 7.984406 4.231342 8.657280 32 H 5.958543 6.600228 6.577534 3.798075 8.108565 6 7 8 9 10 6 C 0.000000 7 C 1.438753 0.000000 8 N 2.557542 1.376305 0.000000 9 C 3.503510 2.087685 1.268817 0.000000 10 N 3.546305 2.184443 2.228601 1.375449 0.000000 11 C 2.416612 1.365649 2.251714 2.163525 1.364229 12 N 2.909249 2.446587 3.568125 3.480603 2.413017 13 C 2.474592 2.715905 4.059143 4.334507 3.514565 14 N 1.405419 2.319795 3.668354 4.329812 3.919876 15 H 4.909760 3.824180 4.219827 3.351150 2.020091 16 H 6.721891 5.467711 5.400012 4.260685 3.399171 17 H 5.492346 4.358084 4.429731 3.536416 2.713934 18 C 4.717166 4.889107 6.161593 6.168118 5.039816 19 Br 5.282091 3.916716 2.777129 1.873691 2.853958 20 H 2.048680 3.233402 4.532797 5.287559 4.917552 21 H 6.038294 4.682849 4.249540 3.097714 2.778168 22 H 6.032210 4.644521 4.185154 2.974756 2.646198 23 N 5.912353 6.192616 7.480673 7.488838 6.336005 24 H 4.909873 4.762029 5.907520 5.701247 4.454123 25 C 6.315925 6.886423 8.239237 8.433694 7.397087 26 C 7.133297 7.220279 8.424694 8.247380 6.983203 27 H 7.069982 7.626967 8.968611 9.134277 8.072590 28 H 5.571473 6.309969 7.683117 8.021507 7.110452 29 H 6.902571 7.510327 8.859623 9.068883 8.041883 30 H 7.803445 7.910396 9.114559 8.927729 7.655562 31 H 7.726964 7.867267 9.076682 8.922009 7.676360 32 H 7.048593 6.920432 8.024926 7.699634 6.379457 11 12 13 14 15 11 C 0.000000 12 N 1.352134 0.000000 13 C 2.213037 1.296556 0.000000 14 N 2.568556 2.329608 1.356853 0.000000 15 H 2.516685 2.467405 3.750357 4.724157 0.000000 16 H 4.392078 4.637052 5.894311 6.758216 2.469166 17 H 3.413684 3.715079 4.834132 5.554797 2.456101 18 C 4.027576 2.689455 2.262538 3.443415 4.305821 19 Br 3.974896 5.223838 6.178642 6.196500 4.389378 20 H 3.564746 3.196548 2.014618 0.997692 5.642946 21 H 3.974088 4.694278 5.886789 6.425365 3.047525 22 H 3.911340 4.654513 5.872874 6.425221 2.780868 23 N 5.352441 4.010670 3.516486 4.568259 5.425843 24 H 3.672461 2.349540 2.485909 3.821842 3.399196 25 C 6.270213 4.992798 4.180537 4.911427 6.724848 26 C 6.205854 4.864347 4.672459 5.850684 5.692297 27 H 6.983853 5.699109 4.943070 5.678295 7.321388 28 H 5.881422 4.708168 3.691906 4.175982 6.734524 29 H 6.918954 5.658188 4.840205 5.511412 7.336226 30 H 6.897224 5.559042 5.355248 6.507580 6.332731 31 H 6.890854 5.570076 5.321294 6.433285 6.380948 32 H 5.777703 4.490123 4.590688 5.879901 4.888609 16 17 18 19 20 16 H 0.000000 17 H 1.763432 0.000000 18 C 6.387012 5.641037 0.000000 19 Br 4.412362 4.170155 7.884587 0.000000 20 H 7.697296 6.460531 3.643909 7.143205 0.000000 21 H 1.759846 1.756771 6.961957 2.913309 7.398658 22 H 2.882057 3.594196 6.907114 2.700120 7.409797 23 N 7.380249 6.716312 1.326081 9.187098 4.562747 24 H 5.460258 4.913252 1.077441 7.296187 4.259117 25 C 8.700689 7.882868 2.432107 10.215005 4.603489 26 C 7.437125 7.057533 2.418468 9.811302 5.947400 27 H 9.102819 8.246128 3.163341 10.894921 5.358930 28 H 8.760838 7.779482 2.521334 9.855267 3.725366 29 H 9.418742 8.715630 3.107671 10.843479 5.147260 30 H 7.837243 7.402821 3.142059 10.475558 6.561149 31 H 8.224397 7.958290 3.117246 10.479684 6.461660 32 H 6.536986 6.337052 2.514223 9.149268 6.152673 21 22 23 24 25 21 H 0.000000 22 H 2.532155 0.000000 23 N 8.117512 8.079718 0.000000 24 H 6.183248 6.057522 2.031723 0.000000 25 C 9.314502 9.334694 1.451144 3.374473 0.000000 26 C 8.452730 8.351765 1.448024 2.547308 2.465111 27 H 9.783891 10.015957 2.083239 4.012513 1.084468 28 H 9.173878 9.251003 2.075017 3.587336 1.076001 29 H 10.069106 9.861699 2.089519 3.976032 1.085138 30 H 8.909807 9.055049 2.089059 3.312633 2.739224 31 H 9.261669 8.921479 2.091621 3.288817 2.744564 32 H 7.663661 7.508633 2.085559 2.166873 3.383494 26 27 28 29 30 26 C 0.000000 27 H 2.705273 0.000000 28 H 3.371221 1.764706 0.000000 29 H 2.760542 1.762302 1.763900 0.000000 30 H 1.084545 2.529652 3.691094 3.147205 0.000000 31 H 1.084963 3.070710 3.723996 2.596400 1.760342 32 H 1.080841 3.687665 4.155804 3.729398 1.758624 31 32 31 H 0.000000 32 H 1.758715 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.258038 -1.941335 -0.000816 2 6 0 -1.772463 -2.517678 1.311253 3 8 0 -1.902620 -2.456111 -1.112197 4 7 0 3.349377 0.639291 0.046131 5 8 0 0.189596 3.864503 0.018340 6 6 0 0.350520 2.680979 0.018828 7 6 0 -0.608562 1.608582 0.007125 8 7 0 -1.984415 1.637850 -0.012545 9 6 0 -2.320915 0.414467 -0.011930 10 7 0 -1.270403 -0.473185 0.006973 11 6 0 -0.159643 0.318838 0.012616 12 7 0 1.117268 -0.125373 0.033583 13 6 0 1.993333 0.830434 0.034836 14 7 0 1.648745 2.142798 0.032152 15 1 0 -0.219401 -2.193586 -0.121018 16 1 0 -1.693212 -3.598036 1.276186 17 1 0 -1.178553 -2.149140 2.139619 18 6 0 3.767987 -0.569506 -0.064424 19 35 0 -4.105641 -0.153943 -0.060730 20 1 0 2.395402 2.804522 0.035688 21 1 0 -2.806811 -2.251916 1.488116 22 1 0 -2.839674 -2.327352 -1.042701 23 7 0 5.050667 -0.905226 -0.041745 24 1 0 3.083521 -1.392853 -0.184774 25 6 0 6.105250 0.079905 0.110537 26 6 0 5.471383 -2.279204 -0.220510 27 1 0 6.742794 -0.194413 0.943819 28 1 0 5.669798 1.046653 0.293724 29 1 0 6.709807 0.121419 -0.789636 30 1 0 6.054634 -2.608665 0.632433 31 1 0 6.081394 -2.377023 -1.112397 32 1 0 4.610147 -2.924707 -0.319583 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5647096 0.1450711 0.1183646 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.1679545869 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.38D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 -0.000193 0.000069 0.000006 Ang= -0.02 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58130958 A.U. after 10 cycles NFock= 10 Conv=0.77D-08 -V/T= 2.0038 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 0.000007519 -0.000020791 0.000011031 2 6 0.000005240 0.000007592 0.000005086 3 8 -0.000016241 0.000006894 0.000021928 4 7 -0.000073332 -0.000037291 0.000021871 5 8 0.000002259 0.000015475 0.000020118 6 6 0.000019624 -0.000009859 -0.000027727 7 6 0.000037761 -0.000005291 0.000012141 8 7 -0.000016202 -0.000019182 0.000004435 9 6 0.000024276 0.000041785 0.000009886 10 7 0.000024288 -0.000049630 -0.000051782 11 6 -0.000052040 0.000040675 0.000009404 12 7 -0.000030858 -0.000027859 0.000013762 13 6 0.000021648 0.000012948 -0.000034506 14 7 0.000015737 -0.000013192 -0.000002514 15 1 -0.000006116 0.000019491 0.000004286 16 1 0.000002900 -0.000000121 0.000009301 17 1 0.000000809 -0.000001512 0.000001389 18 6 0.000046060 0.000049247 0.000017043 19 35 -0.000010996 -0.000005574 -0.000005200 20 1 -0.000007988 0.000001715 0.000004588 21 1 0.000003738 0.000005075 -0.000002955 22 1 -0.000003390 -0.000011677 -0.000015397 23 7 -0.000005761 -0.000031764 -0.000024912 24 1 0.000001799 -0.000001353 -0.000015715 25 6 0.000013115 0.000009698 -0.000001404 26 6 -0.000014955 0.000014000 -0.000005144 27 1 0.000010441 0.000016780 -0.000002401 28 1 0.000024223 -0.000002452 0.000008267 29 1 0.000001402 -0.000003825 0.000004460 30 1 -0.000004949 -0.000000695 -0.000000165 31 1 -0.000012597 0.000005489 0.000004849 32 1 -0.000007412 -0.000004794 0.000005981 ------------------------------------------------------------------- Cartesian Forces: Max 0.000073332 RMS 0.000020374 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000092726 RMS 0.000016814 Search for a local minimum. Step number 40 out of a maximum of 168 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 35 36 37 38 39 40 DE= -2.27D-06 DEPred=-3.68D-07 R= 6.17D+00 TightC=F SS= 1.41D+00 RLast= 7.78D-02 DXNew= 1.0904D+00 2.3340D-01 Trust test= 6.17D+00 RLast= 7.78D-02 DXMaxT set to 6.48D-01 ITU= 1 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 0 Eigenvalues --- 0.00028 0.00179 0.00305 0.00541 0.00645 Eigenvalues --- 0.00722 0.01162 0.01669 0.01723 0.01819 Eigenvalues --- 0.01885 0.02127 0.02368 0.02606 0.02667 Eigenvalues --- 0.03269 0.04042 0.04282 0.05486 0.05505 Eigenvalues --- 0.05789 0.05857 0.06458 0.06632 0.06971 Eigenvalues --- 0.07660 0.07737 0.07784 0.07997 0.08993 Eigenvalues --- 0.15289 0.15555 0.15982 0.15995 0.16012 Eigenvalues --- 0.16027 0.16085 0.16099 0.16233 0.16454 Eigenvalues --- 0.17048 0.17339 0.18890 0.19485 0.21405 Eigenvalues --- 0.23203 0.23447 0.24051 0.24298 0.24786 Eigenvalues --- 0.25041 0.25243 0.25827 0.27599 0.29005 Eigenvalues --- 0.30042 0.31893 0.32364 0.32829 0.33674 Eigenvalues --- 0.33746 0.33748 0.33768 0.33791 0.33870 Eigenvalues --- 0.33956 0.34391 0.34763 0.37156 0.37700 Eigenvalues --- 0.38538 0.39410 0.40764 0.41350 0.42167 Eigenvalues --- 0.43953 0.44573 0.48432 0.48732 0.49419 Eigenvalues --- 0.50783 0.51194 0.51378 0.55661 0.56746 Eigenvalues --- 0.61799 0.69580 0.71865 0.80478 0.87606 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 40 39 38 37 36 35 34 33 32 31 RFO step: Lambda=-5.41867571D-07. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. RFO-DIIS uses 7 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 0.91838 0.23260 -0.35978 -0.06923 0.33723 RFO-DIIS coefs: 0.01796 -0.07717 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00475060 RMS(Int)= 0.00003024 Iteration 2 RMS(Cart)= 0.00003057 RMS(Int)= 0.00000806 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000806 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87731 0.00001 -0.00000 0.00004 0.00004 2.87735 R2 2.61551 -0.00000 0.00004 -0.00006 -0.00002 2.61549 R3 2.77454 0.00000 -0.00003 0.00005 0.00002 2.77456 R4 2.03253 0.00001 0.00000 0.00001 0.00001 2.03254 R5 2.04814 0.00000 -0.00001 0.00002 0.00001 2.04815 R6 2.04819 -0.00000 0.00000 -0.00000 -0.00000 2.04819 R7 2.04561 -0.00001 0.00000 -0.00001 -0.00000 2.04561 R8 1.79223 0.00001 0.00002 -0.00002 0.00001 1.79224 R9 2.58797 -0.00001 0.00001 -0.00000 0.00001 2.58798 R10 2.42640 0.00004 -0.00006 0.00008 0.00003 2.42643 R11 2.25712 -0.00000 0.00000 -0.00000 0.00000 2.25712 R12 2.71885 0.00000 0.00009 -0.00005 0.00004 2.71889 R13 2.65586 -0.00002 -0.00013 0.00005 -0.00008 2.65577 R14 2.60084 0.00000 -0.00006 0.00005 -0.00001 2.60083 R15 2.58070 -0.00004 -0.00005 -0.00001 -0.00007 2.58064 R16 2.39772 -0.00001 0.00006 -0.00005 0.00000 2.39772 R17 2.59922 -0.00001 -0.00009 0.00004 -0.00005 2.59917 R18 3.54076 0.00001 0.00004 -0.00002 0.00002 3.54078 R19 2.57802 0.00002 0.00011 -0.00005 0.00006 2.57808 R20 2.55516 -0.00001 -0.00000 -0.00000 -0.00000 2.55516 R21 2.45014 0.00002 -0.00003 0.00002 -0.00001 2.45013 R22 2.56408 -0.00003 -0.00002 0.00000 -0.00001 2.56407 R23 1.88536 0.00000 0.00001 -0.00001 0.00000 1.88537 R24 2.50593 0.00001 -0.00009 0.00013 0.00004 2.50597 R25 2.03607 -0.00000 0.00001 -0.00001 0.00001 2.03607 R26 2.74226 0.00001 0.00002 0.00005 0.00007 2.74233 R27 2.73637 -0.00004 0.00005 -0.00008 -0.00003 2.73634 R28 2.04935 0.00001 -0.00013 0.00002 -0.00010 2.04925 R29 2.03335 -0.00002 0.00011 -0.00010 0.00000 2.03335 R30 2.05061 -0.00000 0.00003 0.00001 0.00004 2.05065 R31 2.04949 -0.00000 -0.00005 -0.00002 -0.00007 2.04943 R32 2.05028 -0.00001 0.00004 -0.00002 0.00002 2.05030 R33 2.04249 0.00001 -0.00000 0.00002 0.00002 2.04251 A1 1.97558 0.00001 -0.00005 0.00010 0.00005 1.97563 A2 1.95098 0.00000 0.00002 -0.00006 -0.00004 1.95094 A3 1.91111 -0.00001 0.00003 -0.00005 -0.00002 1.91109 A4 1.95223 -0.00001 0.00000 -0.00000 0.00000 1.95223 A5 1.84706 0.00001 0.00003 0.00007 0.00010 1.84715 A6 1.81650 -0.00001 -0.00003 -0.00007 -0.00010 1.81641 A7 1.90152 0.00001 0.00003 0.00006 0.00009 1.90161 A8 1.92278 0.00000 0.00007 -0.00005 0.00001 1.92279 A9 1.95055 -0.00000 -0.00010 0.00003 -0.00007 1.95049 A10 1.90032 -0.00001 0.00001 -0.00004 -0.00003 1.90030 A11 1.89640 -0.00000 0.00002 -0.00002 -0.00000 1.89640 A12 1.89151 -0.00000 -0.00004 0.00002 -0.00001 1.89149 A13 1.92923 0.00003 0.00011 0.00005 0.00016 1.92939 A14 2.04149 0.00002 0.00006 -0.00000 0.00005 2.04154 A15 2.27674 0.00001 -0.00004 0.00004 -0.00000 2.27674 A16 2.09890 -0.00001 0.00001 -0.00003 -0.00002 2.09888 A17 1.90754 0.00001 0.00003 -0.00000 0.00003 1.90757 A18 2.27924 -0.00000 0.00004 -0.00003 0.00001 2.27925 A19 2.07690 -0.00000 -0.00006 0.00002 -0.00004 2.07686 A20 1.92704 0.00000 0.00002 0.00001 0.00003 1.92707 A21 1.81791 -0.00001 0.00001 -0.00007 -0.00006 1.81785 A22 2.00391 0.00001 -0.00000 0.00009 0.00008 2.00399 A23 2.14731 -0.00003 -0.00006 -0.00006 -0.00012 2.14719 A24 2.13185 0.00001 0.00006 -0.00003 0.00003 2.13188 A25 2.28060 0.00001 0.00008 -0.00003 0.00006 2.28066 A26 2.18181 0.00001 -0.00007 0.00010 0.00004 2.18185 A27 1.82063 -0.00002 -0.00001 -0.00007 -0.00007 1.82056 A28 1.85525 0.00001 -0.00002 0.00004 0.00002 1.85527 A29 2.24051 -0.00000 0.00003 -0.00001 0.00001 2.24053 A30 2.18737 -0.00001 -0.00001 -0.00003 -0.00004 2.18733 A31 1.97787 0.00001 0.00000 0.00002 0.00002 1.97789 A32 2.17264 0.00004 0.00012 -0.00002 0.00010 2.17275 A33 1.96761 -0.00003 -0.00011 0.00004 -0.00007 1.96754 A34 2.14292 -0.00002 -0.00002 -0.00002 -0.00004 2.14288 A35 2.22055 0.00000 0.00003 -0.00001 0.00002 2.22056 A36 2.02345 -0.00001 0.00000 -0.00004 -0.00004 2.02342 A37 2.03918 0.00000 -0.00003 0.00005 0.00002 2.03920 A38 2.15582 0.00009 -0.00042 0.00053 0.00011 2.15593 A39 2.11990 -0.00004 0.00022 -0.00029 -0.00008 2.11982 A40 2.00747 -0.00005 0.00020 -0.00024 -0.00004 2.00743 A41 2.13278 0.00009 -0.00051 0.00026 -0.00019 2.13259 A42 2.11665 -0.00005 -0.00007 -0.00017 -0.00018 2.11647 A43 2.03304 -0.00005 0.00024 -0.00009 0.00021 2.03325 A44 1.91362 0.00002 -0.00048 0.00001 -0.00047 1.91315 A45 1.91102 -0.00000 0.00009 0.00001 0.00010 1.91112 A46 1.92175 -0.00001 0.00048 0.00006 0.00054 1.92229 A47 1.91173 -0.00000 0.00009 -0.00007 0.00001 1.91175 A48 1.89606 -0.00001 0.00006 -0.00001 0.00005 1.89611 A49 1.90956 0.00001 -0.00024 0.00000 -0.00024 1.90932 A50 1.92560 -0.00000 -0.00014 -0.00001 -0.00015 1.92544 A51 1.92878 -0.00001 0.00022 -0.00004 0.00018 1.92896 A52 1.92462 -0.00001 -0.00004 -0.00008 -0.00012 1.92450 A53 1.89309 0.00001 0.00002 0.00005 0.00007 1.89316 A54 1.89566 0.00000 -0.00007 0.00003 -0.00004 1.89562 A55 1.89527 0.00001 0.00002 0.00005 0.00007 1.89534 D1 0.97127 0.00000 -0.00000 0.00000 0.00000 0.97127 D2 3.05482 0.00001 0.00008 -0.00004 0.00004 3.05485 D3 -1.12450 0.00000 0.00002 -0.00003 -0.00002 -1.12451 D4 -3.08843 0.00000 -0.00002 0.00003 0.00002 -3.08841 D5 -1.00487 0.00000 0.00006 -0.00001 0.00005 -1.00482 D6 1.09899 0.00000 -0.00000 -0.00000 -0.00000 1.09899 D7 -1.08486 -0.00001 -0.00003 -0.00011 -0.00014 -1.08500 D8 0.99869 -0.00001 0.00005 -0.00016 -0.00011 0.99859 D9 3.10256 -0.00001 -0.00001 -0.00014 -0.00016 3.10240 D10 0.97404 0.00001 0.00105 0.00008 0.00113 0.97517 D11 -1.24880 0.00000 0.00106 0.00008 0.00114 -1.24766 D12 3.06718 0.00001 0.00107 0.00012 0.00120 3.06837 D13 -1.21742 -0.00000 0.00036 0.00021 0.00057 -1.21684 D14 1.94552 -0.00002 -0.00123 -0.00030 -0.00153 1.94399 D15 1.01858 0.00000 0.00032 0.00030 0.00062 1.01920 D16 -2.10167 -0.00001 -0.00128 -0.00021 -0.00149 -2.10316 D17 3.00478 0.00001 0.00034 0.00034 0.00068 3.00545 D18 -0.11547 -0.00001 -0.00126 -0.00017 -0.00143 -0.11690 D19 0.10547 0.00002 0.00067 0.00088 0.00155 0.10702 D20 -3.04192 0.00001 0.00046 0.00088 0.00134 -3.04059 D21 -3.11697 -0.00001 0.00103 -0.00013 0.00090 -3.11606 D22 0.02535 0.00001 0.00103 -0.00003 0.00100 0.02635 D23 0.00438 0.00001 0.00001 0.00023 0.00024 0.00462 D24 -3.13996 0.00002 0.00027 0.00032 0.00059 -3.13937 D25 -3.13694 -0.00001 -0.00003 -0.00014 -0.00017 -3.13711 D26 0.00191 -0.00000 0.00024 -0.00006 0.00018 0.00209 D27 3.14125 -0.00001 -0.00024 -0.00029 -0.00053 3.14073 D28 -0.00573 -0.00001 0.00003 -0.00013 -0.00010 -0.00583 D29 -0.00058 0.00000 -0.00021 0.00004 -0.00017 -0.00075 D30 3.13562 0.00001 0.00006 0.00019 0.00026 3.13588 D31 -3.13902 0.00001 0.00028 0.00008 0.00036 -3.13866 D32 0.00513 0.00000 0.00003 0.00000 0.00004 0.00517 D33 3.13555 -0.00000 -0.00011 -0.00007 -0.00018 3.13537 D34 0.00507 -0.00000 -0.00014 0.00001 -0.00013 0.00494 D35 -0.00827 -0.00000 0.00011 -0.00000 0.00011 -0.00816 D36 -3.13875 0.00000 0.00008 0.00007 0.00016 -3.13859 D37 0.00006 -0.00000 -0.00017 -0.00000 -0.00017 -0.00012 D38 -3.12507 0.00000 0.00004 -0.00006 -0.00002 -3.12509 D39 -3.12861 -0.00001 -0.00111 -0.00043 -0.00154 -3.13015 D40 -0.00506 0.00000 0.00024 0.00000 0.00024 -0.00482 D41 -0.00332 -0.00001 -0.00132 -0.00037 -0.00170 -0.00502 D42 3.12023 -0.00000 0.00003 0.00006 0.00008 3.12031 D43 3.13261 0.00001 0.00106 0.00040 0.00146 3.13407 D44 -0.01966 0.00001 0.00108 0.00032 0.00141 -0.01825 D45 0.00773 -0.00000 -0.00019 0.00000 -0.00019 0.00754 D46 3.13864 -0.00000 -0.00017 -0.00007 -0.00024 3.13840 D47 -0.01279 0.00000 -0.00005 0.00007 0.00002 -0.01277 D48 -3.14130 0.00000 -0.00009 0.00016 0.00008 -3.14123 D49 -3.13446 -0.00001 -0.00013 -0.00009 -0.00022 -3.13468 D50 0.01350 0.00000 0.00010 -0.00009 0.00001 0.01351 D51 3.13930 0.00001 0.00025 0.00003 0.00028 3.13959 D52 0.00314 0.00000 -0.00003 -0.00012 -0.00015 0.00300 D53 -0.00798 -0.00000 0.00004 0.00003 0.00008 -0.00790 D54 3.13904 -0.00001 -0.00024 -0.00012 -0.00035 3.13869 D55 -0.00137 0.00001 -0.00126 0.00028 -0.00098 -0.00236 D56 -3.10099 0.00001 0.00360 0.00007 0.00367 -3.09731 D57 3.13954 -0.00001 -0.00126 0.00019 -0.00108 3.13846 D58 0.03992 -0.00001 0.00360 -0.00002 0.00358 0.04350 D59 2.19643 0.00001 0.01588 -0.00012 0.01577 2.21219 D60 0.09861 0.00000 0.01601 -0.00004 0.01598 0.11459 D61 -2.00158 0.00000 0.01596 -0.00008 0.01587 -1.98571 D62 -0.98525 0.00001 0.01124 0.00008 0.01131 -0.97394 D63 -3.08307 0.00000 0.01137 0.00016 0.01152 -3.07154 D64 1.09993 0.00000 0.01131 0.00011 0.01142 1.11135 D65 -2.13739 0.00000 -0.00479 0.00018 -0.00460 -2.14199 D66 2.05227 0.00000 -0.00486 0.00015 -0.00471 2.04757 D67 -0.04334 0.00000 -0.00500 0.00016 -0.00483 -0.04817 D68 1.04389 -0.00000 -0.00016 -0.00002 -0.00019 1.04370 D69 -1.04963 -0.00000 -0.00024 -0.00005 -0.00029 -1.04993 D70 3.13794 -0.00000 -0.00037 -0.00004 -0.00042 3.13752 Item Value Threshold Converged? Maximum Force 0.000093 0.000450 YES RMS Force 0.000017 0.000300 YES Maximum Displacement 0.036043 0.001800 NO RMS Displacement 0.004751 0.001200 NO Predicted change in Energy=-2.514015D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.204922 -4.820636 2.218443 2 6 0 7.225507 -5.008143 3.729341 3 8 0 7.410734 -5.997790 1.520184 4 7 0 7.639915 0.085751 0.313361 5 8 0 3.237304 -0.887183 0.075961 6 6 0 4.299129 -1.325992 0.402464 7 6 0 4.648555 -2.604356 0.962601 8 7 0 3.862177 -3.688875 1.278244 9 6 0 4.680197 -4.540897 1.741717 10 7 0 5.991058 -4.125561 1.772222 11 6 0 5.957008 -2.863447 1.255390 12 7 0 7.029095 -2.055402 1.094296 13 6 0 6.730649 -0.902687 0.581239 14 7 0 5.461213 -0.548954 0.258069 15 1 0 8.004772 -4.163080 1.927373 16 1 0 8.161441 -5.475073 4.013419 17 1 0 7.147594 -4.048009 4.226141 18 6 0 8.879878 -0.202687 0.480622 19 35 0 4.161141 -6.246648 2.317697 20 1 0 5.332054 0.361356 -0.129293 21 1 0 6.409631 -5.634299 4.067069 22 1 0 6.774615 -6.652689 1.776982 23 7 0 9.865768 0.662813 0.287012 24 1 0 9.191292 -1.185570 0.793427 25 6 0 9.622921 2.028530 -0.139324 26 6 0 11.251241 0.269775 0.437722 27 1 0 10.110716 2.715280 0.543599 28 1 0 8.564050 2.219641 -0.146500 29 1 0 10.024307 2.186043 -1.135138 30 1 0 11.742055 0.895268 1.175298 31 1 0 11.779727 0.370168 -0.504504 32 1 0 11.315334 -0.759648 0.760863 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522627 0.000000 3 O 1.384057 2.427773 0.000000 4 N 5.281211 6.147228 6.206321 0.000000 5 O 5.983668 6.799651 6.754376 4.515079 0.000000 6 C 4.894278 5.761079 5.723381 3.627921 1.194416 7 C 3.608885 4.480371 4.410887 4.075097 2.392999 8 N 3.652232 4.365813 4.240504 5.426795 3.112143 9 C 2.584523 3.263061 3.102812 5.675033 4.266885 10 N 1.468234 2.476515 2.363101 4.752068 4.576850 11 C 2.513036 3.511302 3.465190 3.523827 3.562788 12 N 2.990174 3.962413 3.983648 2.359554 4.096269 13 C 4.272669 5.197134 5.225343 1.369501 3.529731 14 N 5.013069 5.920037 5.923123 2.269945 2.256841 15 H 1.075576 2.137399 1.971001 4.559684 6.073548 16 H 2.136623 1.083834 2.655752 6.699641 7.797400 17 H 2.151997 1.083854 3.345608 5.713160 6.519600 18 C 5.210658 6.031876 6.068138 1.284010 5.698327 19 Br 3.362731 3.594018 3.355266 7.497900 5.882408 20 H 5.989369 6.877916 6.890603 2.366035 2.447234 21 H 2.170703 1.082489 2.760607 6.951466 6.966183 22 H 1.932995 2.592207 0.948411 6.949640 6.974747 23 N 6.393649 7.140053 7.204966 2.299591 6.810548 24 H 4.380644 5.205378 5.182280 2.062399 6.004478 25 C 7.636548 8.380271 8.489379 2.812762 7.023093 26 C 6.742103 7.409299 7.429912 3.618150 8.105098 27 H 8.248563 8.838816 9.173943 3.615563 7.774331 28 H 7.550211 8.309916 8.463696 2.370440 6.170581 29 H 8.263715 9.124295 8.992031 3.492091 7.548171 30 H 7.371926 7.859556 8.148223 4.269170 8.758794 31 H 7.435572 8.221472 7.983630 4.229402 8.653951 32 H 5.959165 6.602141 6.577279 3.797849 8.108016 6 7 8 9 10 6 C 0.000000 7 C 1.438773 0.000000 8 N 2.557565 1.376301 0.000000 9 C 3.503488 2.087633 1.268820 0.000000 10 N 3.546329 2.184460 2.228641 1.375424 0.000000 11 C 2.416571 1.365614 2.251704 2.163469 1.364260 12 N 2.909190 2.446562 3.568115 3.480540 2.413020 13 C 2.474558 2.715921 4.059161 4.334470 3.514591 14 N 1.405375 2.319797 3.668349 4.329758 3.919887 15 H 4.909808 3.824212 4.219874 3.351121 2.020031 16 H 6.720962 5.467072 5.399570 4.260560 3.399222 17 H 5.490322 4.356607 4.428661 3.536008 2.713910 18 C 4.717117 4.889214 6.161740 6.168285 5.040085 19 Br 5.282047 3.916650 2.777057 1.873702 2.853971 20 H 2.048619 3.233395 4.532777 5.287501 4.917567 21 H 6.036974 4.681844 4.248733 3.097375 2.778095 22 H 6.032498 4.644604 4.185120 2.974474 2.645819 23 N 5.912372 6.192747 7.480831 7.488985 6.336225 24 H 4.909769 4.762145 5.907711 5.701530 4.454557 25 C 6.315783 6.886377 8.239199 8.433635 7.397113 26 C 7.132992 7.220221 8.424705 8.247520 6.983509 27 H 7.079997 7.636053 8.977592 9.142108 8.079493 28 H 5.573368 6.311272 7.684274 8.022128 7.110792 29 H 6.890303 7.499809 8.849346 9.060216 8.034686 30 H 7.805666 7.912670 9.116877 8.929869 7.657612 31 H 7.723918 7.864719 9.074229 8.920055 7.674878 32 H 7.048143 6.920230 8.024811 7.699672 6.379665 11 12 13 14 15 11 C 0.000000 12 N 1.352131 0.000000 13 C 2.213047 1.296553 0.000000 14 N 2.568529 2.329575 1.356847 0.000000 15 H 2.516733 2.467442 3.750417 4.724212 0.000000 16 H 4.391679 4.636555 5.893534 6.757259 2.469304 17 H 3.412630 3.713890 4.832412 5.552735 2.456080 18 C 4.027788 2.689711 2.262590 3.443356 4.306230 19 Br 3.974882 5.223831 6.178638 6.196449 4.389432 20 H 3.564725 3.196535 2.014628 0.997694 5.643033 21 H 3.973415 4.693572 5.885763 6.424073 3.047500 22 H 3.911380 4.654661 5.873181 6.425551 2.781017 23 N 5.352632 4.010874 3.516580 4.568296 5.426171 24 H 3.672774 2.349941 2.485922 3.821698 3.399886 25 C 6.270214 4.992820 4.180489 4.911330 6.725004 26 C 6.206010 4.864571 4.672368 5.850386 5.692875 27 H 6.991576 5.706055 4.951360 5.688114 7.325413 28 H 5.882155 4.708678 3.693223 4.178085 6.734454 29 H 6.910491 5.650798 4.830568 5.499369 7.332725 30 H 6.899357 5.561026 5.357214 6.509690 6.334018 31 H 6.888944 5.568488 5.319041 6.430391 6.380803 32 H 5.777731 4.490211 4.590431 5.879449 4.889163 16 17 18 19 20 16 H 0.000000 17 H 1.763420 0.000000 18 C 6.387086 5.640587 0.000000 19 Br 4.412845 4.170740 7.884846 0.000000 20 H 7.696194 6.458210 3.643789 7.143144 0.000000 21 H 1.759849 1.756761 6.961834 2.913928 7.397195 22 H 2.883005 3.594698 6.907620 2.699535 7.410242 23 N 7.380006 6.715433 1.326105 9.187334 4.562757 24 H 5.461573 4.914649 1.077444 7.296596 4.258886 25 C 8.699728 7.880917 2.432031 10.215017 4.603381 26 C 7.438801 7.059412 2.418351 9.811605 5.946988 27 H 9.106109 8.251260 3.167564 10.902341 5.369298 28 H 8.756463 7.772372 2.522043 9.855756 3.728179 29 H 9.416507 8.711038 3.102648 10.835546 5.134048 30 H 7.839450 7.406261 3.143269 10.477705 6.563165 31 H 8.226206 7.959644 3.115728 10.478069 6.458588 32 H 6.539220 6.339678 2.513998 9.149501 6.152126 21 22 23 24 25 21 H 0.000000 22 H 2.532751 0.000000 23 N 8.117100 8.080334 0.000000 24 H 6.184298 6.057813 2.031722 0.000000 25 C 9.313319 9.335344 1.451179 3.374429 0.000000 26 C 8.454078 8.351904 1.448008 2.547145 2.465284 27 H 9.789195 10.020462 2.082897 4.015519 1.084414 28 H 9.169517 9.253113 2.075119 3.587807 1.076003 29 H 10.064123 9.857186 2.089946 3.972537 1.085157 30 H 8.912481 9.055890 2.088909 3.313926 2.739205 31 H 9.262334 8.920585 2.091740 3.287088 2.745056 32 H 7.665451 7.508565 2.085466 2.166570 3.383568 26 27 28 29 30 26 C 0.000000 27 H 2.700464 0.000000 28 H 3.371096 1.764674 0.000000 29 H 2.766105 1.762305 1.763770 0.000000 30 H 1.084509 2.524431 3.687930 3.155134 0.000000 31 H 1.084972 3.063278 3.726835 2.603191 1.760365 32 H 1.080851 3.684214 4.155602 3.733452 1.758578 31 32 31 H 0.000000 32 H 1.758777 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.258189 -1.941484 0.000681 2 6 0 -1.772071 -2.515972 1.313800 3 8 0 -1.903237 -2.457739 -1.109727 4 7 0 3.349366 0.639114 0.047025 5 8 0 0.189758 3.864325 0.018313 6 6 0 0.350608 2.680790 0.018451 7 6 0 -0.608559 1.608446 0.006461 8 7 0 -1.984403 1.637792 -0.013409 9 6 0 -2.320903 0.414407 -0.012559 10 7 0 -1.270484 -0.473313 0.006481 11 6 0 -0.159694 0.318721 0.012265 12 7 0 1.117189 -0.125544 0.033664 13 6 0 1.993315 0.830202 0.035057 14 7 0 1.648765 2.142570 0.032123 15 1 0 -0.219572 -2.193845 -0.119537 16 1 0 -1.692923 -3.596394 1.280304 17 1 0 -1.177811 -2.146284 2.141403 18 6 0 3.768179 -0.569513 -0.064770 19 35 0 -4.105700 -0.153809 -0.061455 20 1 0 2.395425 2.804293 0.036110 21 1 0 -2.806324 -2.249863 1.490691 22 1 0 -2.840191 -2.328021 -1.040628 23 7 0 5.050816 -0.905391 -0.040667 24 1 0 3.083859 -1.392629 -0.187536 25 6 0 6.105146 0.079759 0.113568 26 6 0 5.471688 -2.278508 -0.225448 27 1 0 6.750665 -0.203825 0.937485 28 1 0 5.669908 1.043447 0.312706 29 1 0 6.701402 0.133697 -0.791494 30 1 0 6.056682 -2.610813 0.625149 31 1 0 6.079937 -2.372931 -1.118914 32 1 0 4.610408 -2.923890 -0.325046 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5647370 0.1450628 0.1183641 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.1596817290 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.38D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 0.000026 -0.000016 0.000001 Ang= 0.00 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58130995 A.U. after 10 cycles NFock= 10 Conv=0.27D-08 -V/T= 2.0038 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 0.000001906 -0.000012711 0.000007260 2 6 -0.000005423 0.000000773 -0.000001271 3 8 0.000000669 0.000011316 0.000003937 4 7 -0.000006036 -0.000011059 0.000011271 5 8 -0.000001886 0.000000186 -0.000004461 6 6 -0.000004393 -0.000004807 0.000022280 7 6 0.000013664 0.000015487 -0.000014385 8 7 0.000002047 -0.000006839 0.000007190 9 6 0.000001250 -0.000000191 0.000009064 10 7 -0.000007526 -0.000002325 -0.000026632 11 6 -0.000010103 0.000005842 0.000003756 12 7 0.000000376 -0.000002439 0.000005658 13 6 0.000006165 0.000017458 0.000001569 14 7 0.000018461 -0.000001578 -0.000016704 15 1 0.000002893 -0.000001294 0.000000904 16 1 -0.000000708 -0.000000271 -0.000001353 17 1 0.000000997 0.000001250 -0.000001859 18 6 0.000016693 0.000006868 -0.000020675 19 35 -0.000001190 -0.000008274 0.000001622 20 1 -0.000002772 -0.000000589 0.000000587 21 1 0.000000137 -0.000001435 0.000000147 22 1 0.000001204 0.000001494 0.000002573 23 7 -0.000066824 -0.000003880 0.000019169 24 1 0.000001714 0.000000206 0.000001378 25 6 0.000016193 -0.000007233 -0.000005046 26 6 -0.000011686 0.000005087 0.000001110 27 1 0.000012989 -0.000004345 0.000003787 28 1 0.000006164 -0.000014749 0.000004482 29 1 0.000009224 0.000009750 -0.000009251 30 1 0.000000743 0.000002947 -0.000000645 31 1 -0.000000100 0.000003496 -0.000000806 32 1 0.000005160 0.000001859 -0.000004658 ------------------------------------------------------------------- Cartesian Forces: Max 0.000066824 RMS 0.000010718 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000050248 RMS 0.000008265 Search for a local minimum. Step number 41 out of a maximum of 168 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 35 36 37 38 39 40 41 DE= -3.76D-07 DEPred=-2.51D-07 R= 1.50D+00 Trust test= 1.50D+00 RLast= 3.57D-02 DXMaxT set to 6.48D-01 ITU= 0 1 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 1 ITU= 0 Eigenvalues --- 0.00021 0.00178 0.00305 0.00544 0.00656 Eigenvalues --- 0.00722 0.01150 0.01387 0.01722 0.01811 Eigenvalues --- 0.01866 0.02121 0.02353 0.02609 0.02677 Eigenvalues --- 0.03248 0.04065 0.04296 0.05487 0.05504 Eigenvalues --- 0.05792 0.05849 0.06511 0.06795 0.06925 Eigenvalues --- 0.07657 0.07748 0.07830 0.07985 0.08965 Eigenvalues --- 0.15274 0.15542 0.15953 0.15986 0.16013 Eigenvalues --- 0.16028 0.16078 0.16150 0.16352 0.16452 Eigenvalues --- 0.17304 0.17474 0.18866 0.19592 0.21386 Eigenvalues --- 0.23406 0.23472 0.23988 0.24305 0.24796 Eigenvalues --- 0.24850 0.25332 0.25855 0.27698 0.28966 Eigenvalues --- 0.30164 0.31266 0.32366 0.32614 0.33673 Eigenvalues --- 0.33746 0.33759 0.33768 0.33840 0.33919 Eigenvalues --- 0.33965 0.34239 0.34848 0.36292 0.37224 Eigenvalues --- 0.38469 0.39506 0.41027 0.41341 0.41736 Eigenvalues --- 0.43941 0.44570 0.48313 0.48719 0.49238 Eigenvalues --- 0.50196 0.51035 0.51262 0.53425 0.56561 Eigenvalues --- 0.60852 0.69407 0.71851 0.80928 0.87608 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 41 40 39 38 37 36 35 34 33 32 RFO step: Lambda=-1.55181422D-07. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. RFO-DIIS uses 5 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.34332 -0.18010 -0.34555 0.13377 0.04856 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00320215 RMS(Int)= 0.00000858 Iteration 2 RMS(Cart)= 0.00000933 RMS(Int)= 0.00000254 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000254 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87735 -0.00000 0.00001 -0.00002 -0.00001 2.87734 R2 2.61549 -0.00001 -0.00000 -0.00004 -0.00004 2.61545 R3 2.77456 0.00000 -0.00005 0.00006 0.00002 2.77458 R4 2.03254 0.00000 -0.00001 0.00001 0.00000 2.03255 R5 2.04815 -0.00000 -0.00001 0.00001 -0.00000 2.04815 R6 2.04819 0.00000 0.00000 -0.00000 -0.00000 2.04819 R7 2.04561 0.00000 0.00001 -0.00000 0.00000 2.04561 R8 1.79224 -0.00000 0.00001 -0.00000 0.00001 1.79224 R9 2.58798 -0.00002 -0.00003 -0.00001 -0.00004 2.58795 R10 2.42643 -0.00001 -0.00003 -0.00002 -0.00005 2.42638 R11 2.25712 0.00000 0.00001 -0.00001 0.00000 2.25712 R12 2.71889 -0.00001 0.00007 -0.00005 0.00001 2.71890 R13 2.65577 0.00001 -0.00011 0.00010 -0.00001 2.65576 R14 2.60083 0.00001 -0.00004 0.00006 0.00001 2.60085 R15 2.58064 -0.00001 -0.00006 0.00003 -0.00004 2.58060 R16 2.39772 -0.00000 0.00006 -0.00003 0.00003 2.39775 R17 2.59917 -0.00000 -0.00013 0.00008 -0.00005 2.59912 R18 3.54078 0.00001 0.00002 0.00003 0.00006 3.54084 R19 2.57808 0.00000 0.00012 -0.00007 0.00005 2.57813 R20 2.55516 -0.00000 -0.00002 0.00002 -0.00000 2.55516 R21 2.45013 0.00000 -0.00002 0.00002 0.00000 2.45013 R22 2.56407 -0.00001 -0.00001 -0.00001 -0.00002 2.56405 R23 1.88537 -0.00000 0.00000 -0.00000 0.00000 1.88537 R24 2.50597 -0.00003 0.00007 -0.00011 -0.00005 2.50593 R25 2.03607 0.00000 0.00000 0.00001 0.00001 2.03608 R26 2.74233 -0.00002 -0.00001 -0.00003 -0.00005 2.74229 R27 2.73634 -0.00001 -0.00000 -0.00000 -0.00000 2.73634 R28 2.04925 0.00001 -0.00005 0.00001 -0.00004 2.04921 R29 2.03335 -0.00001 -0.00000 0.00001 0.00001 2.03336 R30 2.05065 0.00001 0.00005 0.00002 0.00007 2.05072 R31 2.04943 0.00000 -0.00002 0.00000 -0.00002 2.04940 R32 2.05030 0.00000 0.00002 0.00000 0.00002 2.05032 R33 2.04251 -0.00000 0.00001 -0.00002 -0.00001 2.04251 A1 1.97563 0.00000 -0.00004 0.00004 0.00000 1.97563 A2 1.95094 -0.00001 0.00003 -0.00005 -0.00002 1.95092 A3 1.91109 0.00000 0.00007 -0.00007 0.00000 1.91109 A4 1.95223 0.00001 -0.00002 0.00003 0.00001 1.95224 A5 1.84715 -0.00000 -0.00002 0.00001 -0.00001 1.84714 A6 1.81641 0.00000 -0.00001 0.00004 0.00002 1.81643 A7 1.90161 -0.00000 0.00002 -0.00001 0.00000 1.90161 A8 1.92279 -0.00000 0.00006 -0.00007 -0.00000 1.92279 A9 1.95049 0.00000 -0.00006 0.00006 -0.00001 1.95048 A10 1.90030 0.00000 0.00003 -0.00002 0.00001 1.90030 A11 1.89640 0.00000 0.00000 -0.00001 -0.00001 1.89639 A12 1.89149 0.00000 -0.00004 0.00005 0.00001 1.89150 A13 1.92939 -0.00000 -0.00002 -0.00000 -0.00002 1.92937 A14 2.04154 -0.00002 -0.00000 -0.00006 -0.00006 2.04148 A15 2.27674 0.00000 -0.00005 0.00004 -0.00000 2.27674 A16 2.09888 -0.00000 0.00001 -0.00002 -0.00001 2.09887 A17 1.90757 0.00000 0.00004 -0.00002 0.00001 1.90758 A18 2.27925 0.00000 0.00003 -0.00001 0.00002 2.27927 A19 2.07686 0.00000 -0.00008 0.00007 -0.00002 2.07685 A20 1.92707 -0.00000 0.00006 -0.00006 -0.00000 1.92706 A21 1.81785 0.00001 -0.00003 0.00003 0.00001 1.81786 A22 2.00399 -0.00001 0.00002 -0.00002 -0.00001 2.00399 A23 2.14719 0.00001 -0.00007 0.00004 -0.00002 2.14717 A24 2.13188 0.00000 0.00005 -0.00002 0.00003 2.13191 A25 2.28066 -0.00001 0.00002 -0.00002 0.00000 2.28066 A26 2.18185 0.00000 -0.00003 0.00003 0.00000 2.18185 A27 1.82056 0.00001 0.00001 -0.00001 0.00001 1.82056 A28 1.85527 0.00000 -0.00006 0.00005 -0.00000 1.85527 A29 2.24053 -0.00000 0.00007 -0.00005 0.00002 2.24054 A30 2.18733 -0.00000 -0.00001 -0.00000 -0.00001 2.18732 A31 1.97789 0.00000 -0.00002 0.00002 -0.00000 1.97789 A32 2.17275 -0.00000 0.00001 -0.00002 -0.00001 2.17273 A33 1.96754 0.00000 0.00000 0.00001 0.00001 1.96755 A34 2.14288 -0.00000 -0.00001 0.00001 -0.00000 2.14288 A35 2.22056 -0.00000 0.00001 -0.00002 -0.00001 2.22056 A36 2.02342 -0.00000 -0.00004 0.00001 -0.00003 2.02339 A37 2.03920 0.00000 0.00002 0.00001 0.00003 2.03923 A38 2.15593 0.00001 0.00005 -0.00011 -0.00006 2.15588 A39 2.11982 -0.00000 -0.00002 0.00006 0.00004 2.11986 A40 2.00743 -0.00001 -0.00004 0.00005 0.00002 2.00745 A41 2.13259 0.00005 -0.00004 0.00003 0.00000 2.13259 A42 2.11647 -0.00000 -0.00008 0.00003 -0.00003 2.11644 A43 2.03325 -0.00005 -0.00005 -0.00005 -0.00009 2.03316 A44 1.91315 -0.00001 -0.00032 -0.00003 -0.00035 1.91280 A45 1.91112 -0.00002 0.00004 -0.00010 -0.00006 1.91106 A46 1.92229 0.00001 0.00033 0.00003 0.00037 1.92266 A47 1.91175 0.00001 0.00005 0.00005 0.00010 1.91184 A48 1.89611 -0.00000 0.00000 -0.00000 -0.00000 1.89611 A49 1.90932 0.00001 -0.00010 0.00005 -0.00005 1.90927 A50 1.92544 -0.00000 -0.00005 -0.00002 -0.00007 1.92538 A51 1.92896 -0.00000 0.00005 -0.00002 0.00003 1.92900 A52 1.92450 0.00001 -0.00003 0.00009 0.00006 1.92455 A53 1.89316 -0.00000 0.00002 -0.00003 -0.00002 1.89315 A54 1.89562 0.00000 0.00000 0.00001 0.00001 1.89563 A55 1.89534 -0.00000 0.00001 -0.00003 -0.00001 1.89533 D1 0.97127 -0.00000 -0.00005 -0.00003 -0.00007 0.97120 D2 3.05485 -0.00000 0.00003 -0.00010 -0.00007 3.05479 D3 -1.12451 -0.00000 -0.00002 -0.00004 -0.00006 -1.12458 D4 -3.08841 0.00000 -0.00008 0.00001 -0.00007 -3.08848 D5 -1.00482 -0.00000 -0.00000 -0.00006 -0.00007 -1.00489 D6 1.09899 0.00000 -0.00006 -0.00000 -0.00006 1.09893 D7 -1.08500 0.00000 -0.00004 -0.00002 -0.00006 -1.08506 D8 0.99859 -0.00000 0.00004 -0.00009 -0.00005 0.99853 D9 3.10240 0.00000 -0.00002 -0.00003 -0.00005 3.10235 D10 0.97517 -0.00000 0.00040 -0.00019 0.00020 0.97537 D11 -1.24766 0.00000 0.00041 -0.00019 0.00022 -1.24744 D12 3.06837 -0.00000 0.00045 -0.00025 0.00020 3.06857 D13 -1.21684 0.00000 0.00024 0.00020 0.00045 -1.21639 D14 1.94399 -0.00000 -0.00052 0.00012 -0.00040 1.94359 D15 1.01920 0.00000 0.00020 0.00024 0.00044 1.01964 D16 -2.10316 -0.00000 -0.00057 0.00016 -0.00041 -2.10356 D17 3.00545 0.00000 0.00015 0.00029 0.00044 3.00590 D18 -0.11690 -0.00000 -0.00061 0.00021 -0.00041 -0.11730 D19 0.10702 0.00001 0.00156 0.00073 0.00229 0.10932 D20 -3.04059 0.00001 0.00138 0.00083 0.00221 -3.03838 D21 -3.11606 0.00001 0.00095 0.00012 0.00107 -3.11499 D22 0.02635 0.00001 0.00078 0.00008 0.00086 0.02722 D23 0.00462 -0.00000 -0.00015 0.00003 -0.00012 0.00450 D24 -3.13937 -0.00000 0.00022 -0.00004 0.00018 -3.13920 D25 -3.13711 0.00000 0.00006 -0.00003 0.00002 -3.13709 D26 0.00209 0.00000 0.00043 -0.00011 0.00032 0.00241 D27 3.14073 -0.00000 -0.00029 0.00003 -0.00025 3.14047 D28 -0.00583 0.00000 0.00017 -0.00006 0.00011 -0.00572 D29 -0.00075 -0.00001 -0.00047 0.00009 -0.00038 -0.00113 D30 3.13588 -0.00000 -0.00001 -0.00000 -0.00002 3.13587 D31 -3.13866 0.00000 0.00036 -0.00011 0.00025 -3.13841 D32 0.00517 -0.00000 0.00002 -0.00004 -0.00002 0.00515 D33 3.13537 -0.00000 -0.00030 0.00012 -0.00018 3.13519 D34 0.00494 -0.00000 -0.00019 0.00009 -0.00011 0.00483 D35 -0.00816 0.00000 -0.00000 0.00006 0.00005 -0.00811 D36 -3.13859 0.00000 0.00011 0.00002 0.00013 -3.13846 D37 -0.00012 0.00000 -0.00002 0.00001 -0.00002 -0.00013 D38 -3.12509 -0.00000 -0.00004 0.00011 0.00007 -3.12501 D39 -3.13015 -0.00001 -0.00062 -0.00004 -0.00067 -3.13082 D40 -0.00482 -0.00000 0.00002 0.00003 0.00005 -0.00477 D41 -0.00502 -0.00000 -0.00061 -0.00015 -0.00076 -0.00578 D42 3.12031 0.00000 0.00004 -0.00008 -0.00004 3.12027 D43 3.13407 0.00000 0.00059 0.00002 0.00060 3.13468 D44 -0.01825 0.00000 0.00048 0.00005 0.00053 -0.01772 D45 0.00754 0.00000 -0.00001 -0.00005 -0.00006 0.00748 D46 3.13840 -0.00000 -0.00012 -0.00002 -0.00013 3.13827 D47 -0.01277 -0.00000 -0.00010 -0.00001 -0.00011 -0.01288 D48 -3.14123 -0.00000 0.00003 -0.00006 -0.00002 -3.14125 D49 -3.13468 0.00000 -0.00011 0.00009 -0.00002 -3.13470 D50 0.01351 0.00000 0.00009 -0.00002 0.00008 0.01359 D51 3.13959 0.00000 0.00040 -0.00013 0.00028 3.13986 D52 0.00300 -0.00000 -0.00006 -0.00003 -0.00009 0.00290 D53 -0.00790 0.00000 0.00022 -0.00003 0.00019 -0.00771 D54 3.13869 0.00000 -0.00024 0.00007 -0.00017 3.13852 D55 -0.00236 -0.00000 -0.00070 0.00008 -0.00062 -0.00298 D56 -3.09731 0.00000 0.00230 -0.00005 0.00225 -3.09506 D57 3.13846 0.00000 -0.00054 0.00011 -0.00043 3.13803 D58 0.04350 0.00001 0.00246 -0.00002 0.00245 0.04595 D59 2.21219 0.00000 0.00785 -0.00010 0.00775 2.21995 D60 0.11459 0.00000 0.00796 -0.00008 0.00789 0.12248 D61 -1.98571 -0.00000 0.00786 -0.00010 0.00776 -1.97795 D62 -0.97394 0.00000 0.00498 0.00003 0.00501 -0.96893 D63 -3.07154 0.00000 0.00510 0.00005 0.00514 -3.06640 D64 1.11135 -0.00000 0.00499 0.00003 0.00502 1.11636 D65 -2.14199 -0.00000 -0.00194 -0.00017 -0.00211 -2.14410 D66 2.04757 0.00000 -0.00197 -0.00010 -0.00207 2.04550 D67 -0.04817 0.00000 -0.00199 -0.00011 -0.00211 -0.05028 D68 1.04370 -0.00000 0.00090 -0.00029 0.00061 1.04430 D69 -1.04993 0.00000 0.00087 -0.00023 0.00065 -1.04928 D70 3.13752 0.00000 0.00084 -0.00024 0.00061 3.13813 Item Value Threshold Converged? Maximum Force 0.000050 0.000450 YES RMS Force 0.000008 0.000300 YES Maximum Displacement 0.022707 0.001800 NO RMS Displacement 0.003202 0.001200 NO Predicted change in Energy=-7.710632D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.205007 -4.820196 2.219796 2 6 0 7.223909 -5.007100 3.730786 3 8 0 7.412133 -5.997517 1.522248 4 7 0 7.639990 0.085967 0.314169 5 8 0 3.237847 -0.888236 0.073684 6 6 0 4.299582 -1.326765 0.400859 7 6 0 4.649001 -2.605076 0.961143 8 7 0 3.862723 -3.689814 1.276316 9 6 0 4.680667 -4.541543 1.740495 10 7 0 5.991350 -4.125809 1.771913 11 6 0 5.957293 -2.863715 1.254961 12 7 0 7.029242 -2.055316 1.094727 13 6 0 6.730837 -0.902746 0.581318 14 7 0 5.461554 -0.549450 0.257108 15 1 0 8.004925 -4.162422 1.929396 16 1 0 8.159678 -5.473585 4.016133 17 1 0 7.145075 -4.046797 4.227116 18 6 0 8.880007 -0.202911 0.480071 19 35 0 4.161675 -6.247453 2.316161 20 1 0 5.332360 0.360833 -0.130308 21 1 0 6.407868 -5.633423 4.067807 22 1 0 6.775873 -6.652519 1.778444 23 7 0 9.865751 0.663079 0.288088 24 1 0 9.191587 -1.186514 0.790458 25 6 0 9.622692 2.029602 -0.135455 26 6 0 11.251391 0.268976 0.434400 27 1 0 10.117141 2.714499 0.544507 28 1 0 8.564203 2.222972 -0.134484 29 1 0 10.016898 2.187358 -1.134133 30 1 0 11.744369 0.892658 1.172050 31 1 0 11.777557 0.371126 -0.508947 32 1 0 11.315814 -0.761163 0.755174 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522624 0.000000 3 O 1.384037 2.427755 0.000000 4 N 5.281198 6.147010 6.206460 0.000000 5 O 5.983683 6.799127 6.754832 4.515060 0.000000 6 C 4.894291 5.760640 5.723758 3.627899 1.194417 7 C 3.608896 4.480044 4.411167 4.075083 2.393006 8 N 3.652230 4.365460 4.240789 5.426785 3.112175 9 C 2.584505 3.262833 3.102966 5.675019 4.266924 10 N 1.468242 2.476502 2.363101 4.752061 4.576859 11 C 2.513069 3.511144 3.465360 3.523801 3.562768 12 N 2.990190 3.962289 3.983758 2.359529 4.096251 13 C 4.272688 5.196922 5.225534 1.369482 3.529714 14 N 5.013088 5.919712 5.923409 2.269933 2.256832 15 H 1.075578 2.137399 1.970976 4.559708 6.073631 16 H 2.136619 1.083833 2.655709 6.699495 7.796971 17 H 2.151992 1.083854 3.345585 5.712778 6.518737 18 C 5.210719 6.032417 6.067805 1.283984 5.698139 19 Br 3.362770 3.594012 3.355331 7.497923 5.882462 20 H 5.989396 6.877552 6.890937 2.366067 2.447196 21 H 2.170694 1.082491 2.760612 6.951211 6.965547 22 H 1.932965 2.592254 0.948415 6.949675 6.975012 23 N 6.393541 7.140199 7.204647 2.299511 6.810408 24 H 4.380999 5.207127 5.181479 2.062404 6.004144 25 C 7.636239 8.379568 8.489358 2.812648 7.023088 26 C 6.742442 7.411056 7.429149 3.618033 8.104698 27 H 8.249772 8.840037 9.174544 3.619187 7.779849 28 H 7.549587 8.307265 8.464542 2.371128 6.171954 29 H 8.262044 9.122963 8.990736 3.487566 7.541460 30 H 7.371586 7.860588 8.146498 4.269969 8.760074 31 H 7.436670 8.224133 7.983877 4.228273 8.651710 32 H 5.959832 6.604993 6.576209 3.797867 8.107658 6 7 8 9 10 6 C 0.000000 7 C 1.438781 0.000000 8 N 2.557590 1.376308 0.000000 9 C 3.503519 2.087654 1.268833 0.000000 10 N 3.546338 2.184463 2.228623 1.375395 0.000000 11 C 2.416549 1.365595 2.251693 2.163475 1.364288 12 N 2.909171 2.446554 3.568108 3.480538 2.413036 13 C 2.474542 2.715922 4.059168 4.334482 3.514611 14 N 1.405369 2.319807 3.668369 4.329784 3.919906 15 H 4.909882 3.824273 4.219919 3.351135 2.020056 16 H 6.720614 5.466824 5.399283 4.260369 3.399216 17 H 5.489594 4.356090 4.428148 3.535726 2.713917 18 C 4.716950 4.889094 6.161627 6.168213 5.040072 19 Br 5.282098 3.916691 2.777079 1.873732 2.853996 20 H 2.048598 3.233398 4.532788 5.287523 4.917588 21 H 6.036445 4.681438 4.248270 3.097064 2.778042 22 H 6.032695 4.644713 4.185235 2.974482 2.645710 23 N 5.912227 6.192602 7.480683 7.488837 6.336101 24 H 4.909498 4.761989 5.907568 5.701507 4.454686 25 C 6.315721 6.886245 8.239057 8.433431 7.396877 26 C 7.132682 7.220054 8.424562 8.247508 6.983631 27 H 7.084945 7.640158 8.981565 9.145260 8.081985 28 H 5.574425 6.311834 7.684745 8.022223 7.110622 29 H 6.884254 7.494793 8.844506 9.056321 8.031576 30 H 7.806755 7.913461 9.117580 8.930261 7.657811 31 H 7.722091 7.863539 9.073202 8.919649 7.674955 32 H 7.047904 6.920175 8.024783 7.699825 6.380009 11 12 13 14 15 11 C 0.000000 12 N 1.352130 0.000000 13 C 2.213044 1.296554 0.000000 14 N 2.568519 2.329567 1.356838 0.000000 15 H 2.516804 2.467494 3.750480 4.724284 0.000000 16 H 4.391582 4.636493 5.893396 6.757015 2.469326 17 H 3.412362 3.713661 4.832028 5.552175 2.456059 18 C 4.027728 2.689710 2.262510 3.443200 4.306279 19 Br 3.974931 5.223873 6.178686 6.196501 4.389478 20 H 3.564719 3.196544 2.014642 0.997696 5.643122 21 H 3.973211 4.693416 5.885509 6.423684 3.047497 22 H 3.911412 4.654668 5.873246 6.425679 2.780996 23 N 5.352491 4.010751 3.516458 4.568166 5.426051 24 H 3.672795 2.350135 2.485871 3.821447 3.400202 25 C 6.270005 4.992584 4.180342 4.911282 6.724726 26 C 6.206008 4.864659 4.672250 5.850083 5.693139 27 H 6.994679 5.708677 4.955085 5.693018 7.326077 28 H 5.882254 4.708589 3.693740 4.179246 6.733917 29 H 6.906627 5.647494 4.825941 5.493344 7.331640 30 H 6.899816 5.561381 5.357980 6.510804 6.333312 31 H 6.888471 5.568293 5.317970 6.428545 6.382109 32 H 5.777911 4.490527 4.590456 5.879222 4.889718 16 17 18 19 20 16 H 0.000000 17 H 1.763422 0.000000 18 C 6.387693 5.641436 0.000000 19 Br 4.412800 4.170768 7.884820 0.000000 20 H 7.695917 6.457576 3.643648 7.143189 0.000000 21 H 1.759845 1.756768 6.962312 2.913877 7.396755 22 H 2.883063 3.594731 6.907286 2.699491 7.410409 23 N 7.380221 6.715725 1.326079 9.187221 4.562680 24 H 5.463406 4.917322 1.077450 7.296636 4.258606 25 C 8.699076 7.879927 2.431988 10.214831 4.603452 26 C 7.440733 7.062041 2.418310 9.811674 5.946618 27 H 9.106512 8.252873 3.169531 10.905178 5.374872 28 H 8.753757 7.768364 2.522363 9.855760 3.729932 29 H 9.416186 8.709480 3.100251 10.832091 5.127256 30 H 7.840145 7.408451 3.143831 10.477950 6.564514 31 H 8.229583 7.962928 3.115039 10.478000 6.456318 32 H 6.542322 6.343882 2.514057 9.149741 6.151803 21 22 23 24 25 21 H 0.000000 22 H 2.532818 0.000000 23 N 8.117214 8.080005 0.000000 24 H 6.185880 6.057144 2.031716 0.000000 25 C 9.312597 9.335235 1.451155 3.374399 0.000000 26 C 8.455748 8.351275 1.448006 2.547159 2.465197 27 H 9.790819 10.021362 2.082611 4.016845 1.084394 28 H 9.166895 9.253742 2.075056 3.587997 1.076007 29 H 10.062300 9.855494 2.090211 3.970919 1.085192 30 H 8.913663 9.054466 2.088852 3.314403 2.739293 31 H 9.264709 8.920795 2.091770 3.286629 2.744719 32 H 7.668141 7.507744 2.085502 2.166681 3.383527 26 27 28 29 30 26 C 0.000000 27 H 2.698004 0.000000 28 H 3.370861 1.764722 0.000000 29 H 2.768476 1.762316 1.763771 0.000000 30 H 1.084498 2.522060 3.686492 3.158937 0.000000 31 H 1.084983 3.059108 3.727626 2.605663 1.760355 32 H 1.080848 3.682584 4.155468 3.735029 1.758571 31 32 31 H 0.000000 32 H 1.758774 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.258226 -1.941513 0.002102 2 6 0 -1.772386 -2.514814 1.315628 3 8 0 -1.903060 -2.458727 -1.107959 4 7 0 3.349376 0.638982 0.048009 5 8 0 0.189894 3.864275 0.017625 6 6 0 0.350708 2.680733 0.018043 7 6 0 -0.608495 1.608412 0.005986 8 7 0 -1.984342 1.637771 -0.014166 9 6 0 -2.320870 0.414380 -0.012931 10 7 0 -1.270488 -0.473328 0.006622 11 6 0 -0.159659 0.318700 0.012385 12 7 0 1.117201 -0.125599 0.034348 13 6 0 1.993355 0.830122 0.035553 14 7 0 1.648846 2.142491 0.032011 15 1 0 -0.219595 -2.194025 -0.117694 16 1 0 -1.693335 -3.595270 1.283081 17 1 0 -1.178234 -2.144460 2.143010 18 6 0 3.768149 -0.569452 -0.065711 19 35 0 -4.105706 -0.153788 -0.062085 20 1 0 2.395502 2.804220 0.036054 21 1 0 -2.806648 -2.248459 1.492098 22 1 0 -2.840008 -2.328749 -1.039227 23 7 0 5.050681 -0.905531 -0.040251 24 1 0 3.083903 -1.392231 -0.191168 25 6 0 6.104896 0.079222 0.117053 26 6 0 5.471818 -2.277880 -0.230054 27 1 0 6.753509 -0.210117 0.936500 28 1 0 5.669697 1.041094 0.324890 29 1 0 6.697914 0.140368 -0.789717 30 1 0 6.056693 -2.613177 0.619435 31 1 0 6.080296 -2.368907 -1.123730 32 1 0 4.610705 -2.923077 -0.332222 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5647432 0.1450613 0.1183671 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.1629983621 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.38D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 0.000013 0.000001 0.000004 Ang= 0.00 deg. ExpMin= 1.43D-01 ExpMax= 5.74D+05 ExpMxC= 5.74D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3432.58131004 A.U. after 9 cycles NFock= 9 Conv=0.60D-08 -V/T= 2.0038 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 0.000004128 0.000000297 0.000004338 2 6 -0.000006834 0.000000621 0.000000936 3 8 -0.000005620 -0.000005256 -0.000003250 4 7 -0.000017552 -0.000008352 0.000004422 5 8 -0.000001085 -0.000000597 0.000001914 6 6 -0.000008919 -0.000014634 -0.000003846 7 6 -0.000001347 0.000016349 -0.000001746 8 7 0.000005259 -0.000010852 0.000007456 9 6 -0.000025427 0.000003832 -0.000000500 10 7 0.000013211 0.000020480 -0.000018464 11 6 0.000003755 -0.000023898 0.000010462 12 7 0.000006798 0.000004765 0.000002303 13 6 -0.000006526 0.000005878 0.000001176 14 7 0.000000620 0.000004172 -0.000001344 15 1 -0.000000686 0.000001478 0.000002640 16 1 0.000000396 0.000000386 -0.000001240 17 1 0.000001113 0.000000667 -0.000001142 18 6 0.000019520 0.000001586 -0.000000869 19 35 0.000004489 0.000003988 -0.000002029 20 1 0.000001090 -0.000001482 -0.000000425 21 1 0.000000985 -0.000001037 0.000000888 22 1 0.000005512 0.000000573 0.000000791 23 7 -0.000002009 -0.000006948 -0.000001189 24 1 -0.000000523 0.000001040 -0.000001167 25 6 -0.000000912 0.000002288 0.000004978 26 6 -0.000000433 0.000005526 0.000003277 27 1 0.000002110 -0.000003736 -0.000001444 28 1 0.000002755 0.000000165 -0.000001333 29 1 0.000002238 0.000002809 -0.000001501 30 1 0.000000286 0.000001212 -0.000000930 31 1 0.000003314 -0.000000737 -0.000001580 32 1 0.000000294 -0.000000583 -0.000001581 ------------------------------------------------------------------- Cartesian Forces: Max 0.000025427 RMS 0.000006825 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000024705 RMS 0.000004425 Search for a local minimum. Step number 42 out of a maximum of 168 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 35 36 37 38 39 40 41 42 DE= -8.63D-08 DEPred=-7.71D-08 R= 1.12D+00 Trust test= 1.12D+00 RLast= 1.74D-02 DXMaxT set to 6.48D-01 ITU= 0 0 1 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 1 ITU= 1 0 Eigenvalues --- 0.00022 0.00179 0.00305 0.00491 0.00673 Eigenvalues --- 0.00729 0.01076 0.01182 0.01724 0.01809 Eigenvalues --- 0.01880 0.02130 0.02360 0.02614 0.02683 Eigenvalues --- 0.03227 0.04067 0.04296 0.05487 0.05503 Eigenvalues --- 0.05791 0.05848 0.06511 0.06820 0.06926 Eigenvalues --- 0.07658 0.07743 0.07813 0.07974 0.08950 Eigenvalues --- 0.15261 0.15549 0.15978 0.16009 0.16027 Eigenvalues --- 0.16057 0.16078 0.16156 0.16347 0.16470 Eigenvalues --- 0.17287 0.17516 0.18905 0.19624 0.21379 Eigenvalues --- 0.23435 0.23592 0.24002 0.24266 0.24706 Eigenvalues --- 0.24870 0.25337 0.25839 0.27662 0.28943 Eigenvalues --- 0.30460 0.31254 0.32171 0.32613 0.33674 Eigenvalues --- 0.33750 0.33757 0.33784 0.33844 0.33943 Eigenvalues --- 0.34005 0.34256 0.34818 0.35942 0.37246 Eigenvalues --- 0.38423 0.39411 0.41043 0.41290 0.42072 Eigenvalues --- 0.44010 0.44557 0.48337 0.48722 0.49202 Eigenvalues --- 0.50211 0.51048 0.51276 0.53446 0.56579 Eigenvalues --- 0.62187 0.69350 0.71883 0.81664 0.87613 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 42 41 40 39 38 37 36 35 34 33 RFO step: Lambda=-2.50135180D-08. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. RFO-DIIS uses 5 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.65729 -0.56955 -0.14140 0.20143 -0.14777 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00099427 RMS(Int)= 0.00000239 Iteration 2 RMS(Cart)= 0.00000056 RMS(Int)= 0.00000236 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87734 -0.00000 -0.00000 0.00001 0.00000 2.87734 R2 2.61545 0.00001 -0.00001 0.00002 0.00000 2.61545 R3 2.77458 0.00000 0.00003 -0.00003 0.00000 2.77458 R4 2.03255 -0.00000 0.00001 -0.00001 -0.00000 2.03255 R5 2.04815 -0.00000 0.00000 -0.00000 0.00000 2.04815 R6 2.04819 -0.00000 -0.00000 0.00000 -0.00000 2.04819 R7 2.04561 0.00000 -0.00000 0.00000 -0.00000 2.04561 R8 1.79224 -0.00000 0.00000 -0.00001 -0.00001 1.79223 R9 2.58795 0.00000 -0.00002 0.00001 -0.00001 2.58794 R10 2.42638 0.00002 -0.00001 0.00004 0.00003 2.42641 R11 2.25712 0.00000 -0.00000 0.00000 0.00000 2.25712 R12 2.71890 -0.00001 -0.00001 -0.00001 -0.00002 2.71888 R13 2.65576 0.00001 0.00003 -0.00001 0.00002 2.65579 R14 2.60085 0.00000 0.00002 -0.00000 0.00002 2.60087 R15 2.58060 0.00001 -0.00000 0.00001 0.00001 2.58061 R16 2.39775 -0.00001 -0.00001 -0.00002 -0.00002 2.39772 R17 2.59912 0.00001 0.00001 0.00002 0.00003 2.59915 R18 3.54084 -0.00001 0.00002 -0.00005 -0.00003 3.54081 R19 2.57813 -0.00002 -0.00001 -0.00004 -0.00004 2.57809 R20 2.55516 0.00000 0.00000 0.00000 0.00001 2.55516 R21 2.45013 -0.00000 0.00002 -0.00002 -0.00000 2.45013 R22 2.56405 0.00001 -0.00001 0.00002 0.00001 2.56407 R23 1.88537 -0.00000 -0.00000 -0.00000 -0.00000 1.88537 R24 2.50593 0.00001 -0.00004 0.00004 0.00000 2.50593 R25 2.03608 -0.00000 0.00000 -0.00001 -0.00000 2.03608 R26 2.74229 0.00000 -0.00003 0.00002 -0.00001 2.74227 R27 2.73634 0.00000 -0.00003 0.00004 0.00001 2.73634 R28 2.04921 -0.00000 0.00003 -0.00003 -0.00000 2.04920 R29 2.03336 -0.00000 -0.00003 0.00002 -0.00001 2.03335 R30 2.05072 0.00000 0.00003 -0.00002 0.00001 2.05073 R31 2.04940 0.00000 0.00000 -0.00000 0.00000 2.04940 R32 2.05032 0.00000 -0.00000 0.00001 0.00001 2.05033 R33 2.04251 0.00000 -0.00001 0.00001 -0.00000 2.04251 A1 1.97563 0.00000 0.00002 0.00001 0.00003 1.97566 A2 1.95092 -0.00000 -0.00002 0.00000 -0.00002 1.95090 A3 1.91109 0.00000 -0.00005 0.00003 -0.00002 1.91108 A4 1.95224 0.00000 0.00002 -0.00002 -0.00001 1.95224 A5 1.84714 0.00000 0.00002 0.00001 0.00003 1.84717 A6 1.81643 -0.00000 0.00001 -0.00003 -0.00002 1.81641 A7 1.90161 -0.00000 0.00000 -0.00002 -0.00002 1.90160 A8 1.92279 -0.00000 -0.00003 0.00001 -0.00002 1.92277 A9 1.95048 0.00000 0.00002 0.00001 0.00003 1.95050 A10 1.90030 0.00000 -0.00001 -0.00000 -0.00001 1.90029 A11 1.89639 -0.00000 -0.00001 0.00000 -0.00000 1.89639 A12 1.89150 0.00000 0.00002 -0.00000 0.00002 1.89152 A13 1.92937 0.00000 0.00002 -0.00002 0.00001 1.92937 A14 2.04148 0.00000 -0.00004 0.00005 0.00001 2.04150 A15 2.27674 -0.00000 0.00002 -0.00002 0.00000 2.27674 A16 2.09887 0.00000 -0.00002 0.00003 0.00001 2.09888 A17 1.90758 -0.00000 -0.00000 -0.00001 -0.00001 1.90757 A18 2.27927 -0.00000 0.00000 -0.00002 -0.00001 2.27926 A19 2.07685 0.00000 0.00002 0.00000 0.00002 2.07686 A20 1.92706 -0.00000 -0.00002 0.00002 -0.00000 1.92706 A21 1.81786 -0.00000 0.00000 -0.00001 -0.00000 1.81785 A22 2.00399 0.00000 0.00001 -0.00001 -0.00000 2.00398 A23 2.14717 0.00000 -0.00001 0.00003 0.00002 2.14719 A24 2.13191 -0.00001 -0.00000 -0.00002 -0.00002 2.13189 A25 2.28066 -0.00000 -0.00000 -0.00001 -0.00002 2.28064 A26 2.18185 0.00000 0.00003 -0.00001 0.00001 2.18187 A27 1.82056 0.00000 -0.00002 0.00002 0.00001 1.82057 A28 1.85527 0.00000 0.00003 -0.00002 0.00000 1.85527 A29 2.24054 -0.00000 -0.00002 0.00002 -0.00000 2.24054 A30 2.18732 -0.00000 -0.00001 0.00001 -0.00000 2.18731 A31 1.97789 -0.00000 0.00001 -0.00002 -0.00001 1.97788 A32 2.17273 -0.00001 0.00001 -0.00007 -0.00006 2.17267 A33 1.96755 0.00001 0.00000 0.00006 0.00006 1.96761 A34 2.14288 0.00000 -0.00001 0.00001 0.00001 2.14288 A35 2.22056 -0.00000 -0.00001 0.00000 -0.00000 2.22055 A36 2.02339 0.00000 -0.00001 0.00001 -0.00000 2.02339 A37 2.03923 -0.00000 0.00002 -0.00002 0.00000 2.03924 A38 2.15588 0.00001 0.00011 -0.00004 0.00007 2.15595 A39 2.11986 -0.00001 -0.00005 0.00002 -0.00003 2.11983 A40 2.00745 -0.00001 -0.00006 0.00002 -0.00004 2.00741 A41 2.13259 0.00001 0.00023 -0.00013 0.00008 2.13267 A42 2.11644 0.00000 -0.00002 0.00006 0.00002 2.11646 A43 2.03316 -0.00001 -0.00016 0.00007 -0.00010 2.03306 A44 1.91280 -0.00001 -0.00003 -0.00001 -0.00004 1.91276 A45 1.91106 0.00000 -0.00007 0.00011 0.00003 1.91109 A46 1.92266 0.00000 0.00003 -0.00002 0.00001 1.92267 A47 1.91184 0.00000 0.00005 -0.00003 0.00002 1.91187 A48 1.89611 -0.00000 -0.00004 0.00000 -0.00004 1.89607 A49 1.90927 -0.00000 0.00006 -0.00005 0.00001 1.90929 A50 1.92538 -0.00000 -0.00001 -0.00000 -0.00001 1.92537 A51 1.92900 0.00000 -0.00005 0.00007 0.00002 1.92902 A52 1.92455 0.00000 0.00006 -0.00004 0.00002 1.92457 A53 1.89315 -0.00000 -0.00002 -0.00000 -0.00002 1.89313 A54 1.89563 0.00000 0.00002 -0.00001 0.00001 1.89564 A55 1.89533 -0.00000 -0.00000 -0.00002 -0.00002 1.89531 D1 0.97120 0.00000 -0.00002 0.00008 0.00006 0.97125 D2 3.05479 -0.00000 -0.00004 0.00007 0.00003 3.05481 D3 -1.12458 0.00000 -0.00003 0.00008 0.00005 -1.12452 D4 -3.08848 0.00000 -0.00000 0.00005 0.00005 -3.08843 D5 -1.00489 0.00000 -0.00003 0.00005 0.00002 -1.00487 D6 1.09893 0.00000 -0.00001 0.00006 0.00005 1.09898 D7 -1.08506 -0.00000 -0.00003 0.00004 0.00001 -1.08505 D8 0.99853 -0.00000 -0.00005 0.00003 -0.00002 0.99851 D9 3.10235 -0.00000 -0.00003 0.00004 0.00000 3.10236 D10 0.97537 -0.00000 -0.00012 -0.00018 -0.00030 0.97507 D11 -1.24744 -0.00000 -0.00012 -0.00017 -0.00029 -1.24773 D12 3.06857 -0.00000 -0.00015 -0.00013 -0.00028 3.06829 D13 -1.21639 0.00000 0.00018 -0.00006 0.00012 -1.21628 D14 1.94359 -0.00000 -0.00004 -0.00005 -0.00009 1.94350 D15 1.01964 0.00000 0.00019 -0.00006 0.00013 1.01977 D16 -2.10356 -0.00000 -0.00002 -0.00005 -0.00008 -2.10364 D17 3.00590 0.00000 0.00023 -0.00008 0.00016 3.00606 D18 -0.11730 0.00000 0.00002 -0.00007 -0.00005 -0.11735 D19 0.10932 0.00001 0.00100 0.00018 0.00118 0.11050 D20 -3.03838 0.00001 0.00098 0.00016 0.00115 -3.03723 D21 -3.11499 0.00000 0.00020 0.00004 0.00024 -3.11475 D22 0.02722 0.00000 0.00022 0.00005 0.00027 0.02749 D23 0.00450 0.00000 0.00006 -0.00007 -0.00001 0.00448 D24 -3.13920 0.00000 0.00013 -0.00012 0.00001 -3.13918 D25 -3.13709 -0.00000 -0.00003 0.00003 -0.00000 -3.13709 D26 0.00241 -0.00000 0.00005 -0.00002 0.00003 0.00243 D27 3.14047 -0.00000 -0.00015 0.00011 -0.00004 3.14044 D28 -0.00572 -0.00000 -0.00003 0.00002 -0.00001 -0.00573 D29 -0.00113 0.00000 -0.00007 0.00003 -0.00005 -0.00117 D30 3.13587 -0.00000 0.00005 -0.00007 -0.00002 3.13585 D31 -3.13841 -0.00000 0.00008 -0.00008 0.00000 -3.13840 D32 0.00515 -0.00000 0.00001 -0.00003 -0.00002 0.00512 D33 3.13519 0.00000 -0.00007 0.00008 0.00001 3.13520 D34 0.00483 0.00000 -0.00001 0.00004 0.00003 0.00486 D35 -0.00811 0.00000 -0.00001 0.00004 0.00003 -0.00808 D36 -3.13846 0.00000 0.00006 0.00000 0.00006 -3.13841 D37 -0.00013 0.00000 -0.00001 0.00002 0.00001 -0.00013 D38 -3.12501 0.00000 0.00005 0.00001 0.00005 -3.12496 D39 -3.13082 -0.00000 -0.00018 0.00001 -0.00016 -3.13098 D40 -0.00477 0.00000 0.00001 0.00001 0.00001 -0.00476 D41 -0.00578 -0.00000 -0.00023 0.00002 -0.00021 -0.00598 D42 3.12027 -0.00000 -0.00005 0.00002 -0.00003 3.12024 D43 3.13468 0.00000 0.00017 -0.00003 0.00014 3.13481 D44 -0.01772 0.00000 0.00011 0.00000 0.00011 -0.01760 D45 0.00748 -0.00000 0.00000 -0.00003 -0.00003 0.00745 D46 3.13827 -0.00000 -0.00006 0.00001 -0.00005 3.13822 D47 -0.01288 -0.00000 -0.00002 -0.00005 -0.00007 -0.01295 D48 -3.14125 -0.00000 0.00005 -0.00009 -0.00005 -3.14130 D49 -3.13470 0.00000 -0.00002 0.00003 0.00001 -3.13469 D50 0.01359 -0.00000 0.00000 0.00005 0.00005 0.01364 D51 3.13986 -0.00000 0.00007 -0.00002 0.00004 3.13990 D52 0.00290 -0.00000 -0.00005 0.00007 0.00001 0.00292 D53 -0.00771 0.00000 0.00005 -0.00004 0.00001 -0.00770 D54 3.13852 0.00000 -0.00007 0.00005 -0.00002 3.13850 D55 -0.00298 0.00000 0.00009 0.00009 0.00019 -0.00279 D56 -3.09506 0.00000 0.00009 0.00002 0.00011 -3.09496 D57 3.13803 0.00000 0.00007 0.00008 0.00015 3.13819 D58 0.04595 0.00000 0.00008 0.00000 0.00008 0.04602 D59 2.21995 0.00000 -0.00015 -0.00003 -0.00018 2.21977 D60 0.12248 -0.00000 -0.00015 -0.00005 -0.00020 0.12227 D61 -1.97795 -0.00000 -0.00020 -0.00005 -0.00025 -1.97820 D62 -0.96893 0.00000 -0.00014 0.00004 -0.00010 -0.96903 D63 -3.06640 0.00000 -0.00015 0.00002 -0.00013 -3.06653 D64 1.11636 -0.00000 -0.00019 0.00002 -0.00017 1.11619 D65 -2.14410 0.00000 0.00015 -0.00003 0.00012 -2.14399 D66 2.04550 0.00000 0.00021 -0.00007 0.00013 2.04563 D67 -0.05028 0.00000 0.00021 -0.00008 0.00013 -0.05014 D68 1.04430 -0.00000 0.00013 -0.00010 0.00004 1.04434 D69 -1.04928 -0.00000 0.00019 -0.00014 0.00005 -1.04923 D70 3.13813 -0.00000 0.00019 -0.00014 0.00005 3.13818 Item Value Threshold Converged? Maximum Force 0.000025 0.000450 YES RMS Force 0.000004 0.000300 YES Maximum Displacement 0.004936 0.001800 NO RMS Displacement 0.000994 0.001200 YES Predicted change in Energy=-1.120529D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.205048 -4.819959 2.220282 2 6 0 7.223435 -5.006703 3.731300 3 8 0 7.412603 -5.997303 1.522900 4 7 0 7.639879 0.086089 0.314486 5 8 0 3.237862 -0.888730 0.072922 6 6 0 4.299587 -1.327084 0.400364 7 6 0 4.649065 -2.605308 0.960775 8 7 0 3.862854 -3.690147 1.275816 9 6 0 4.680803 -4.541735 1.740213 10 7 0 5.991433 -4.125808 1.771918 11 6 0 5.957322 -2.863752 1.254934 12 7 0 7.029194 -2.055190 1.094974 13 6 0 6.730751 -0.902702 0.581406 14 7 0 5.461494 -0.549607 0.256842 15 1 0 8.004944 -4.162052 1.930124 16 1 0 8.159203 -5.472961 4.017021 17 1 0 7.144248 -4.046355 4.227486 18 6 0 8.879970 -0.203051 0.479502 19 35 0 4.161966 -6.247716 2.315762 20 1 0 5.332264 0.360634 -0.130655 21 1 0 6.407410 -5.633155 4.068113 22 1 0 6.776522 -6.652467 1.779107 23 7 0 9.865751 0.662980 0.287887 24 1 0 9.191594 -1.186994 0.788763 25 6 0 9.622793 2.030025 -0.134004 26 6 0 11.251420 0.268529 0.433026 27 1 0 10.117665 2.714016 0.546558 28 1 0 8.564350 2.223625 -0.132421 29 1 0 10.016686 2.188866 -1.132638 30 1 0 11.744854 0.891301 1.171141 31 1 0 11.777137 0.371708 -0.510465 32 1 0 11.315893 -0.761991 0.752562 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522625 0.000000 3 O 1.384038 2.427778 0.000000 4 N 5.281140 6.146915 6.206414 0.000000 5 O 5.983668 6.798988 6.754882 4.515128 0.000000 6 C 4.894280 5.760522 5.723802 3.627945 1.194417 7 C 3.608889 4.479943 4.411208 4.075079 2.392994 8 N 3.652225 4.365344 4.240842 5.426788 3.112155 9 C 2.584509 3.262760 3.103004 5.674996 4.266895 10 N 1.468243 2.476487 2.363098 4.752005 4.576835 11 C 2.513058 3.511079 3.465371 3.523776 3.562770 12 N 2.990182 3.962243 3.983765 2.359485 4.096269 13 C 4.272677 5.196864 5.225543 1.369477 3.529734 14 N 5.013081 5.919628 5.923439 2.269977 2.256849 15 H 1.075577 2.137388 1.971001 4.559633 6.073625 16 H 2.136609 1.083833 2.655746 6.699366 7.796839 17 H 2.151982 1.083853 3.345594 5.712645 6.518501 18 C 5.210711 6.032692 6.067553 1.284000 5.698144 19 Br 3.362730 3.593947 3.355291 7.497871 5.882435 20 H 5.989388 6.877465 6.890967 2.366139 2.447217 21 H 2.170713 1.082489 2.760639 6.951147 6.965426 22 H 1.932966 2.592167 0.948410 6.949722 6.975231 23 N 6.393443 7.140324 7.204344 2.299569 6.810502 24 H 4.381100 5.207912 5.181007 2.062401 6.004025 25 C 7.636127 8.379322 8.489304 2.812825 7.023482 26 C 6.742411 7.411568 7.428660 3.618088 8.104692 27 H 8.248967 8.839041 9.173750 3.619293 7.780476 28 H 7.549502 8.306867 8.464649 2.371378 6.172552 29 H 8.262627 9.123396 8.991468 3.487844 7.541713 30 H 7.370822 7.860285 8.145244 4.270017 8.760338 31 H 7.437364 8.225331 7.984237 4.228360 8.651489 32 H 5.959895 6.605957 6.575529 3.797924 8.107562 6 7 8 9 10 6 C 0.000000 7 C 1.438768 0.000000 8 N 2.557580 1.376319 0.000000 9 C 3.503499 2.087650 1.268821 0.000000 10 N 3.546316 2.184450 2.228624 1.375409 0.000000 11 C 2.416552 1.365598 2.251702 2.163476 1.364266 12 N 2.909188 2.446559 3.568122 3.480543 2.413019 13 C 2.474557 2.715916 4.059173 4.334476 3.514587 14 N 1.405381 2.319799 3.668371 4.329775 3.919885 15 H 4.909876 3.824266 4.219920 3.351140 2.020042 16 H 6.720502 5.466730 5.399189 4.260317 3.399197 17 H 5.489389 4.355910 4.427955 3.535603 2.713874 18 C 4.716950 4.889071 6.161607 6.168190 5.040040 19 Br 5.282074 3.916681 2.777070 1.873718 2.853981 20 H 2.048608 3.233387 4.532786 5.287511 4.917565 21 H 6.036352 4.681365 4.248172 3.097012 2.778065 22 H 6.032897 4.644915 4.185463 2.974683 2.645831 23 N 5.912292 6.192600 7.480675 7.488791 6.336023 24 H 4.909400 4.761908 5.907492 5.701471 4.454688 25 C 6.316032 6.886423 8.239227 8.433504 7.396864 26 C 7.132674 7.220010 8.424507 8.247447 6.983573 27 H 7.085330 7.640181 8.981525 9.144955 8.081491 28 H 5.574909 6.312141 7.685044 8.022393 7.110676 29 H 6.884565 7.495187 8.844947 9.056816 8.032074 30 H 7.806878 7.913327 9.117376 8.929868 7.657295 31 H 7.721999 7.863624 9.073331 8.919946 7.675369 32 H 7.047832 6.920098 8.024692 7.699762 6.379986 11 12 13 14 15 11 C 0.000000 12 N 1.352134 0.000000 13 C 2.213040 1.296553 0.000000 14 N 2.568520 2.329577 1.356846 0.000000 15 H 2.516788 2.467475 3.750463 4.724274 0.000000 16 H 4.391513 4.636426 5.893318 6.756922 2.469296 17 H 3.412244 3.713571 4.831919 5.552020 2.456025 18 C 4.027715 2.689720 2.262529 3.443204 4.306235 19 Br 3.974906 5.223849 6.178658 6.196480 4.389441 20 H 3.564718 3.196552 2.014650 0.997694 5.643113 21 H 3.973179 4.693400 5.885479 6.423628 3.047500 22 H 3.911548 4.654765 5.873362 6.425845 2.781006 23 N 5.352460 4.010723 3.516496 4.568240 5.425908 24 H 3.672784 2.350213 2.485874 3.821367 3.400266 25 C 6.270078 4.992607 4.180504 4.911586 6.724573 26 C 6.205979 4.864672 4.672285 5.850097 5.693062 27 H 6.994408 5.708305 4.955104 5.693427 7.325173 28 H 5.882410 4.708658 3.693990 4.179721 6.733788 29 H 6.907089 5.647953 4.826294 5.493603 7.332242 30 H 6.899490 5.561031 5.357935 6.510974 6.332405 31 H 6.888764 5.568683 5.318112 6.428447 6.382859 32 H 5.777893 4.490590 4.590493 5.879187 4.889729 16 17 18 19 20 16 H 0.000000 17 H 1.763415 0.000000 18 C 6.387919 5.641906 0.000000 19 Br 4.412757 4.170693 7.884756 0.000000 20 H 7.695820 6.457417 3.643659 7.143168 0.000000 21 H 1.759844 1.756777 6.962594 2.913835 7.396695 22 H 2.882933 3.594663 6.907129 2.699578 7.410577 23 N 7.380280 6.716015 1.326081 9.187119 4.562795 24 H 5.464156 4.918575 1.077449 7.296560 4.258510 25 C 8.698731 7.879605 2.432038 10.214842 4.603859 26 C 7.441205 7.062932 2.418331 9.811549 5.946649 27 H 9.105289 8.251852 3.169490 10.904727 5.375602 28 H 8.753254 7.767762 2.522464 9.855872 3.730566 29 H 9.416626 8.709754 3.100385 10.832596 5.127399 30 H 7.839628 7.408594 3.143809 10.477400 6.564876 31 H 8.230902 7.964366 3.115118 10.478319 6.456065 32 H 6.543289 6.345452 2.514100 9.149614 6.151763 21 22 23 24 25 21 H 0.000000 22 H 2.532743 0.000000 23 N 8.117361 8.079780 0.000000 24 H 6.186612 6.056793 2.031692 0.000000 25 C 9.312401 9.335252 1.451149 3.374411 0.000000 26 C 8.456250 8.350858 1.448011 2.547151 2.465121 27 H 9.789924 10.020650 2.082575 4.016734 1.084392 28 H 9.166563 9.253933 2.075070 3.588083 1.076004 29 H 10.062738 9.856272 2.090215 3.971019 1.085197 30 H 8.913433 9.053308 2.088851 3.314312 2.739205 31 H 9.265837 8.921173 2.091794 3.286728 2.744620 32 H 7.669050 7.507156 2.085516 2.166699 3.383481 26 27 28 29 30 26 C 0.000000 27 H 2.697906 0.000000 28 H 3.370827 1.764733 0.000000 29 H 2.768315 1.762294 1.763781 0.000000 30 H 1.084498 2.521932 3.686458 3.158741 0.000000 31 H 1.084989 3.059011 3.727535 2.605446 1.760346 32 H 1.080848 3.682501 4.155489 3.734900 1.758577 31 32 31 H 0.000000 32 H 1.758766 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.258170 -1.941497 0.002645 2 6 0 -1.772468 -2.514417 1.316284 3 8 0 -1.902865 -2.459018 -1.107356 4 7 0 3.349341 0.639040 0.048473 5 8 0 0.189761 3.864325 0.017228 6 6 0 0.350623 2.680789 0.017848 7 6 0 -0.608528 1.608437 0.005864 8 7 0 -1.984385 1.637758 -0.014414 9 6 0 -2.320872 0.414369 -0.013027 10 7 0 -1.270452 -0.473312 0.006760 11 6 0 -0.159663 0.318734 0.012525 12 7 0 1.117209 -0.125532 0.034736 13 6 0 1.993332 0.830217 0.035830 14 7 0 1.648787 2.142583 0.032011 15 1 0 -0.219514 -2.194009 -0.116929 16 1 0 -1.693351 -3.594878 1.284068 17 1 0 -1.178412 -2.143791 2.143613 18 6 0 3.768144 -0.569302 -0.066288 19 35 0 -4.105660 -0.153892 -0.062335 20 1 0 2.395422 2.804334 0.036007 21 1 0 -2.806764 -2.248071 1.492566 22 1 0 -2.839842 -2.329258 -1.038660 23 7 0 5.050634 -0.905529 -0.040546 24 1 0 3.083918 -1.391909 -0.192966 25 6 0 6.104928 0.078847 0.118516 26 6 0 5.471775 -2.277695 -0.231694 27 1 0 6.752928 -0.211542 0.938075 28 1 0 5.669807 1.040590 0.327094 29 1 0 6.698598 0.140827 -0.787777 30 1 0 6.056085 -2.614032 0.617774 31 1 0 6.080830 -2.367746 -1.125083 32 1 0 4.610683 -2.922709 -0.335181 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5647277 0.1450623 0.1183686 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.1645654760 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.38D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 0.000010 0.000003 -0.000004 Ang= 0.00 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -3432.58131005 A.U. after 7 cycles NFock= 7 Conv=0.92D-08 -V/T= 2.0038 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 -0.000003208 0.000003698 0.000004435 2 6 0.000001385 -0.000001140 -0.000000978 3 8 0.000002520 0.000000593 -0.000000296 4 7 0.000005872 0.000009120 -0.000000130 5 8 0.000001853 0.000001238 0.000001130 6 6 -0.000003710 -0.000007244 -0.000005028 7 6 -0.000007147 0.000007146 0.000004568 8 7 0.000003685 0.000003267 -0.000002599 9 6 -0.000004801 0.000000378 0.000002141 10 7 0.000002895 0.000001968 -0.000008317 11 6 0.000003222 -0.000012482 0.000003156 12 7 -0.000000586 -0.000001455 0.000001698 13 6 0.000000676 0.000001590 -0.000002627 14 7 0.000003892 0.000005271 0.000002364 15 1 0.000001943 -0.000001955 0.000000467 16 1 0.000000311 -0.000000363 0.000000495 17 1 -0.000000026 0.000000138 -0.000000442 18 6 -0.000002243 -0.000003918 0.000001030 19 35 0.000000457 -0.000001382 0.000000486 20 1 0.000001190 0.000000536 -0.000000790 21 1 -0.000000101 -0.000000212 -0.000000166 22 1 0.000000040 -0.000000584 0.000000803 23 7 0.000003772 -0.000003351 -0.000008594 24 1 -0.000000523 -0.000000868 -0.000000198 25 6 -0.000002035 0.000002237 0.000002311 26 6 0.000000935 -0.000001852 0.000004126 27 1 -0.000001945 0.000001488 0.000000465 28 1 -0.000002004 0.000000000 -0.000000350 29 1 -0.000002160 -0.000000979 0.000000249 30 1 -0.000000158 0.000000269 0.000000317 31 1 -0.000003308 -0.000000287 0.000000016 32 1 -0.000000693 -0.000000863 0.000000254 ------------------------------------------------------------------- Cartesian Forces: Max 0.000012482 RMS 0.000003185 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000013353 RMS 0.000002642 Search for a local minimum. Step number 43 out of a maximum of 168 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 35 36 37 38 39 40 41 42 43 DE= -1.72D-08 DEPred=-1.12D-08 R= 1.53D+00 Trust test= 1.53D+00 RLast= 1.92D-03 DXMaxT set to 6.48D-01 ITU= 0 0 0 1 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 1 ITU= 1 1 0 Eigenvalues --- 0.00022 0.00180 0.00305 0.00403 0.00671 Eigenvalues --- 0.00729 0.00811 0.01162 0.01721 0.01809 Eigenvalues --- 0.01871 0.02111 0.02357 0.02622 0.02715 Eigenvalues --- 0.03210 0.04074 0.04305 0.05487 0.05521 Eigenvalues --- 0.05805 0.05843 0.06500 0.06861 0.06911 Eigenvalues --- 0.07664 0.07798 0.07836 0.07980 0.08951 Eigenvalues --- 0.15275 0.15557 0.15999 0.16010 0.16030 Eigenvalues --- 0.16050 0.16093 0.16156 0.16354 0.16582 Eigenvalues --- 0.17320 0.17527 0.18923 0.19657 0.21365 Eigenvalues --- 0.23448 0.23659 0.23831 0.24197 0.24809 Eigenvalues --- 0.25036 0.25541 0.25841 0.27954 0.29033 Eigenvalues --- 0.31174 0.31584 0.32625 0.32976 0.33676 Eigenvalues --- 0.33747 0.33758 0.33785 0.33863 0.33951 Eigenvalues --- 0.34000 0.34275 0.34780 0.37252 0.37917 Eigenvalues --- 0.38729 0.39695 0.41056 0.41433 0.42103 Eigenvalues --- 0.44082 0.44561 0.48270 0.48708 0.49411 Eigenvalues --- 0.50464 0.51050 0.51672 0.53577 0.56794 Eigenvalues --- 0.61730 0.69347 0.72197 0.83892 0.87640 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 43 42 41 40 39 38 37 36 35 34 RFO step: Lambda=-2.90713249D-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: 1.41941 -0.44382 0.02440 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00038475 RMS(Int)= 0.00000005 Iteration 2 RMS(Cart)= 0.00000009 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87734 -0.00000 0.00000 -0.00001 -0.00000 2.87734 R2 2.61545 0.00000 0.00000 -0.00000 -0.00000 2.61545 R3 2.77458 0.00000 0.00000 0.00001 0.00001 2.77459 R4 2.03255 0.00000 -0.00000 0.00000 0.00000 2.03255 R5 2.04815 0.00000 0.00000 0.00000 0.00000 2.04815 R6 2.04819 -0.00000 -0.00000 0.00000 -0.00000 2.04819 R7 2.04561 0.00000 -0.00000 0.00000 -0.00000 2.04561 R8 1.79223 0.00000 -0.00000 0.00000 0.00000 1.79224 R9 2.58794 -0.00000 -0.00000 -0.00001 -0.00001 2.58793 R10 2.42641 -0.00001 0.00001 -0.00002 -0.00000 2.42641 R11 2.25712 -0.00000 0.00000 -0.00000 -0.00000 2.25712 R12 2.71888 -0.00000 -0.00001 0.00000 -0.00001 2.71887 R13 2.65579 0.00000 0.00001 0.00001 0.00002 2.65580 R14 2.60087 -0.00000 0.00001 -0.00001 -0.00000 2.60087 R15 2.58061 0.00000 0.00000 0.00001 0.00001 2.58062 R16 2.39772 0.00000 -0.00001 0.00001 -0.00000 2.39772 R17 2.59915 0.00000 0.00001 -0.00000 0.00001 2.59916 R18 3.54081 0.00000 -0.00001 0.00002 0.00001 3.54082 R19 2.57809 -0.00000 -0.00002 0.00000 -0.00002 2.57807 R20 2.55516 0.00000 0.00000 -0.00000 0.00000 2.55517 R21 2.45013 0.00000 -0.00000 0.00001 0.00001 2.45014 R22 2.56407 -0.00000 0.00001 -0.00002 -0.00001 2.56406 R23 1.88537 0.00000 -0.00000 0.00000 0.00000 1.88537 R24 2.50593 -0.00001 0.00000 -0.00002 -0.00001 2.50592 R25 2.03608 0.00000 -0.00000 0.00000 0.00000 2.03608 R26 2.74227 0.00000 -0.00000 0.00001 0.00000 2.74228 R27 2.73634 -0.00000 0.00000 -0.00001 -0.00001 2.73633 R28 2.04920 0.00000 -0.00000 0.00001 0.00000 2.04921 R29 2.03335 0.00000 -0.00000 0.00000 -0.00000 2.03335 R30 2.05073 -0.00000 0.00000 -0.00000 0.00000 2.05073 R31 2.04940 0.00000 0.00000 0.00000 0.00000 2.04941 R32 2.05033 -0.00000 0.00000 -0.00001 -0.00000 2.05033 R33 2.04251 0.00000 -0.00000 0.00000 0.00000 2.04251 A1 1.97566 -0.00000 0.00001 -0.00002 -0.00000 1.97565 A2 1.95090 0.00000 -0.00001 0.00001 0.00001 1.95090 A3 1.91108 -0.00000 -0.00001 -0.00000 -0.00001 1.91107 A4 1.95224 0.00000 -0.00000 0.00001 0.00001 1.95224 A5 1.84717 -0.00000 0.00001 -0.00002 -0.00001 1.84716 A6 1.81641 0.00000 -0.00001 0.00002 0.00001 1.81642 A7 1.90160 0.00000 -0.00001 0.00001 0.00000 1.90160 A8 1.92277 -0.00000 -0.00001 -0.00000 -0.00001 1.92276 A9 1.95050 -0.00000 0.00001 -0.00001 0.00001 1.95051 A10 1.90029 0.00000 -0.00000 0.00000 -0.00000 1.90029 A11 1.89639 -0.00000 -0.00000 -0.00000 -0.00000 1.89639 A12 1.89152 0.00000 0.00001 -0.00000 0.00000 1.89152 A13 1.92937 -0.00000 0.00000 -0.00000 -0.00000 1.92937 A14 2.04150 -0.00001 0.00001 -0.00003 -0.00002 2.04147 A15 2.27674 0.00000 0.00000 0.00001 0.00001 2.27675 A16 2.09888 -0.00000 0.00000 -0.00001 -0.00001 2.09887 A17 1.90757 0.00000 -0.00000 0.00000 -0.00000 1.90757 A18 2.27926 0.00000 -0.00001 0.00001 0.00000 2.27926 A19 2.07686 0.00000 0.00001 0.00000 0.00001 2.07687 A20 1.92706 -0.00000 -0.00000 -0.00001 -0.00001 1.92705 A21 1.81785 0.00000 -0.00000 0.00001 0.00001 1.81786 A22 2.00398 -0.00000 -0.00000 -0.00000 -0.00000 2.00398 A23 2.14719 0.00000 0.00001 0.00001 0.00001 2.14720 A24 2.13189 -0.00000 -0.00001 -0.00000 -0.00001 2.13188 A25 2.28064 0.00000 -0.00001 0.00001 0.00000 2.28064 A26 2.18187 -0.00000 0.00001 -0.00000 0.00000 2.18187 A27 1.82057 -0.00000 0.00000 -0.00001 -0.00000 1.82057 A28 1.85527 0.00000 0.00000 0.00001 0.00001 1.85528 A29 2.24054 -0.00000 -0.00000 -0.00001 -0.00002 2.24052 A30 2.18731 0.00000 -0.00000 0.00000 0.00000 2.18732 A31 1.97788 0.00000 -0.00000 0.00001 0.00001 1.97788 A32 2.17267 0.00000 -0.00003 0.00002 -0.00000 2.17267 A33 1.96761 -0.00000 0.00002 -0.00002 -0.00000 1.96761 A34 2.14288 0.00000 0.00000 0.00000 0.00001 2.14289 A35 2.22055 -0.00000 -0.00000 -0.00001 -0.00001 2.22055 A36 2.02339 0.00000 0.00000 0.00001 0.00001 2.02340 A37 2.03924 -0.00000 0.00000 -0.00000 -0.00000 2.03923 A38 2.15595 -0.00001 0.00003 -0.00005 -0.00002 2.15592 A39 2.11983 0.00001 -0.00001 0.00002 0.00001 2.11984 A40 2.00741 0.00001 -0.00002 0.00003 0.00002 2.00742 A41 2.13267 -0.00001 0.00003 -0.00004 -0.00001 2.13267 A42 2.11646 0.00000 0.00001 -0.00001 0.00000 2.11646 A43 2.03306 0.00001 -0.00004 0.00005 0.00002 2.03308 A44 1.91276 0.00000 -0.00001 0.00003 0.00002 1.91278 A45 1.91109 -0.00000 0.00001 -0.00003 -0.00002 1.91107 A46 1.92267 -0.00000 -0.00001 0.00001 0.00000 1.92267 A47 1.91187 -0.00000 0.00001 -0.00001 -0.00000 1.91187 A48 1.89607 0.00000 -0.00002 0.00002 0.00001 1.89607 A49 1.90929 -0.00000 0.00001 -0.00001 -0.00000 1.90928 A50 1.92537 0.00000 -0.00000 0.00001 0.00001 1.92537 A51 1.92902 -0.00000 0.00001 -0.00004 -0.00003 1.92899 A52 1.92457 -0.00000 0.00001 -0.00001 -0.00000 1.92457 A53 1.89313 0.00000 -0.00001 0.00002 0.00001 1.89314 A54 1.89564 0.00000 0.00000 0.00001 0.00001 1.89565 A55 1.89531 0.00000 -0.00001 0.00001 0.00000 1.89531 D1 0.97125 -0.00000 0.00003 -0.00003 -0.00001 0.97125 D2 3.05481 -0.00000 0.00001 -0.00002 -0.00001 3.05480 D3 -1.12452 -0.00000 0.00002 -0.00003 -0.00001 -1.12453 D4 -3.08843 0.00000 0.00002 -0.00002 0.00001 -3.08843 D5 -1.00487 0.00000 0.00001 -0.00001 -0.00000 -1.00487 D6 1.09898 -0.00000 0.00002 -0.00002 0.00000 1.09898 D7 -1.08505 0.00000 0.00001 0.00001 0.00002 -1.08503 D8 0.99851 0.00000 -0.00001 0.00002 0.00001 0.99852 D9 3.10236 0.00000 0.00000 0.00001 0.00001 3.10237 D10 0.97507 0.00000 -0.00013 0.00002 -0.00011 0.97497 D11 -1.24773 -0.00000 -0.00013 0.00001 -0.00012 -1.24784 D12 3.06829 -0.00000 -0.00012 -0.00001 -0.00013 3.06816 D13 -1.21628 0.00000 0.00004 0.00007 0.00011 -1.21617 D14 1.94350 -0.00000 -0.00003 0.00002 -0.00001 1.94349 D15 1.01977 0.00000 0.00004 0.00007 0.00011 1.01988 D16 -2.10364 -0.00000 -0.00002 0.00002 -0.00000 -2.10365 D17 3.00606 0.00000 0.00006 0.00005 0.00011 3.00617 D18 -0.11735 -0.00000 -0.00001 0.00001 -0.00001 -0.11736 D19 0.11050 0.00000 0.00044 0.00001 0.00045 0.11095 D20 -3.03723 0.00000 0.00043 0.00001 0.00044 -3.03679 D21 -3.11475 0.00000 0.00007 -0.00000 0.00007 -3.11468 D22 0.02749 0.00000 0.00009 -0.00001 0.00008 0.02757 D23 0.00448 0.00000 -0.00000 0.00005 0.00005 0.00454 D24 -3.13918 -0.00000 0.00000 -0.00001 -0.00001 -3.13919 D25 -3.13709 -0.00000 -0.00000 -0.00000 -0.00000 -3.13709 D26 0.00243 -0.00000 0.00000 -0.00006 -0.00006 0.00237 D27 3.14044 0.00000 -0.00001 0.00002 0.00001 3.14044 D28 -0.00573 -0.00000 -0.00001 -0.00003 -0.00004 -0.00577 D29 -0.00117 0.00000 -0.00001 0.00006 0.00005 -0.00112 D30 3.13585 0.00000 -0.00001 0.00001 0.00001 3.13585 D31 -3.13840 -0.00000 -0.00001 -0.00000 -0.00001 -3.13841 D32 0.00512 0.00000 -0.00001 0.00005 0.00004 0.00517 D33 3.13520 0.00000 0.00001 -0.00001 0.00000 3.13520 D34 0.00486 0.00000 0.00002 0.00003 0.00005 0.00492 D35 -0.00808 -0.00000 0.00001 -0.00006 -0.00005 -0.00812 D36 -3.13841 -0.00000 0.00002 -0.00002 0.00000 -3.13840 D37 -0.00013 -0.00000 0.00000 -0.00003 -0.00003 -0.00015 D38 -3.12496 -0.00000 0.00002 -0.00003 -0.00001 -3.12497 D39 -3.13098 -0.00000 -0.00005 -0.00005 -0.00010 -3.13108 D40 -0.00476 0.00000 0.00000 -0.00001 -0.00000 -0.00476 D41 -0.00598 -0.00000 -0.00007 -0.00005 -0.00011 -0.00610 D42 3.12024 0.00000 -0.00001 -0.00000 -0.00002 3.12022 D43 3.13481 0.00000 0.00004 0.00008 0.00012 3.13493 D44 -0.01760 0.00000 0.00004 0.00003 0.00007 -0.01753 D45 0.00745 0.00000 -0.00001 0.00004 0.00003 0.00748 D46 3.13822 -0.00000 -0.00002 -0.00000 -0.00002 3.13820 D47 -0.01295 -0.00000 -0.00003 0.00001 -0.00002 -0.01297 D48 -3.14130 0.00000 -0.00002 0.00006 0.00004 -3.14126 D49 -3.13469 -0.00000 0.00001 -0.00000 0.00000 -3.13469 D50 0.01364 -0.00000 0.00002 -0.00001 0.00001 0.01364 D51 3.13990 -0.00000 0.00001 -0.00003 -0.00002 3.13988 D52 0.00292 0.00000 0.00001 0.00002 0.00002 0.00294 D53 -0.00770 -0.00000 -0.00000 -0.00003 -0.00003 -0.00773 D54 3.13850 0.00000 -0.00000 0.00002 0.00002 3.13851 D55 -0.00279 0.00000 0.00009 0.00003 0.00013 -0.00267 D56 -3.09496 -0.00000 -0.00001 -0.00008 -0.00008 -3.09504 D57 3.13819 0.00000 0.00008 0.00004 0.00011 3.13830 D58 0.04602 -0.00000 -0.00003 -0.00007 -0.00010 0.04593 D59 2.21977 -0.00000 -0.00026 -0.00005 -0.00031 2.21945 D60 0.12227 -0.00000 -0.00028 -0.00003 -0.00031 0.12196 D61 -1.97820 0.00000 -0.00029 -0.00000 -0.00030 -1.97849 D62 -0.96903 -0.00000 -0.00016 0.00005 -0.00011 -0.96914 D63 -3.06653 0.00000 -0.00018 0.00007 -0.00011 -3.06664 D64 1.11619 0.00000 -0.00019 0.00010 -0.00010 1.11610 D65 -2.14399 0.00000 0.00010 0.00002 0.00012 -2.14386 D66 2.04563 -0.00000 0.00011 0.00002 0.00012 2.04576 D67 -0.05014 0.00000 0.00011 0.00003 0.00014 -0.05000 D68 1.04434 -0.00000 0.00000 -0.00008 -0.00008 1.04427 D69 -1.04923 -0.00000 0.00001 -0.00008 -0.00007 -1.04930 D70 3.13818 -0.00000 0.00001 -0.00007 -0.00006 3.13813 Item Value Threshold Converged? Maximum Force 0.000013 0.000450 YES RMS Force 0.000003 0.000300 YES Maximum Displacement 0.001884 0.001800 NO RMS Displacement 0.000385 0.001200 YES Predicted change in Energy=-3.472470D-09 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.205066 -4.819874 2.220487 2 6 0 7.223226 -5.006580 3.731511 3 8 0 7.412819 -5.997223 1.523173 4 7 0 7.639883 0.086138 0.314596 5 8 0 3.237927 -0.888829 0.072667 6 6 0 4.299637 -1.327157 0.400187 7 6 0 4.649116 -2.605354 0.960647 8 7 0 3.862923 -3.690227 1.275615 9 6 0 4.680857 -4.541782 1.740099 10 7 0 5.991475 -4.125809 1.771904 11 6 0 5.957364 -2.863774 1.254891 12 7 0 7.029214 -2.055165 1.095020 13 6 0 6.730768 -0.902680 0.581434 14 7 0 5.461530 -0.549621 0.256781 15 1 0 8.004977 -4.161933 1.930449 16 1 0 8.158981 -5.472768 4.017395 17 1 0 7.143900 -4.046220 4.227651 18 6 0 8.879988 -0.203148 0.479231 19 35 0 4.162047 -6.247782 2.315623 20 1 0 5.332306 0.360614 -0.130734 21 1 0 6.407190 -5.633077 4.068216 22 1 0 6.776803 -6.652456 1.779366 23 7 0 9.865762 0.662904 0.287717 24 1 0 9.191620 -1.187231 0.788042 25 6 0 9.622752 2.030162 -0.133462 26 6 0 11.251436 0.268361 0.432496 27 1 0 10.117606 2.713832 0.547438 28 1 0 8.564300 2.223707 -0.131755 29 1 0 10.016610 2.189528 -1.132027 30 1 0 11.744992 0.890805 1.170810 31 1 0 11.776998 0.371944 -0.511035 32 1 0 11.315928 -0.762304 0.751565 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522623 0.000000 3 O 1.384037 2.427772 0.000000 4 N 5.281140 6.146925 6.206408 0.000000 5 O 5.983681 6.798943 6.754953 4.515119 0.000000 6 C 4.894291 5.760490 5.723856 3.627942 1.194416 7 C 3.608902 4.479912 4.411266 4.075070 2.392994 8 N 3.652233 4.365300 4.240906 5.426777 3.112159 9 C 2.584519 3.262730 3.103061 5.674992 4.266900 10 N 1.468249 2.476495 2.363107 4.751999 4.576842 11 C 2.513059 3.511079 3.465376 3.523777 3.562779 12 N 2.990187 3.962269 3.983753 2.359482 4.096267 13 C 4.272688 5.196873 5.225556 1.369472 3.529727 14 N 5.013095 5.919612 5.923483 2.269967 2.256850 15 H 1.075578 2.137378 1.970994 4.559647 6.073659 16 H 2.136610 1.083835 2.655739 6.699374 7.796804 17 H 2.151973 1.083853 3.345583 5.712651 6.518408 18 C 5.210710 6.032839 6.067430 1.283999 5.698097 19 Br 3.362727 3.593903 3.355336 7.497866 5.882451 20 H 5.989402 6.877448 6.891012 2.366129 2.447223 21 H 2.170715 1.082489 2.760640 6.951159 6.965381 22 H 1.932965 2.592118 0.948410 6.949756 6.975376 23 N 6.393415 7.140431 7.204205 2.299548 6.810456 24 H 4.381141 5.208263 5.180789 2.062403 6.003937 25 C 7.636051 8.379229 8.489238 2.812784 7.023460 26 C 6.742416 7.411813 7.428466 3.618070 8.104622 27 H 8.248559 8.838581 9.173354 3.619130 7.780396 28 H 7.549344 8.306645 8.464537 2.371282 6.172513 29 H 8.262921 9.123649 8.991814 3.487951 7.541758 30 H 7.370523 7.860197 8.144741 4.269955 8.760318 31 H 7.437658 8.225847 7.984382 4.228366 8.651358 32 H 5.959933 6.606373 6.575258 3.797908 8.107467 6 7 8 9 10 6 C 0.000000 7 C 1.438763 0.000000 8 N 2.557576 1.376319 0.000000 9 C 3.503499 2.087655 1.268821 0.000000 10 N 3.546319 2.184457 2.228625 1.375415 0.000000 11 C 2.416561 1.365603 2.251696 2.163471 1.364258 12 N 2.909189 2.446555 3.568114 3.480542 2.413015 13 C 2.474556 2.715911 4.059167 4.334478 3.514589 14 N 1.405391 2.319803 3.668375 4.329784 3.919894 15 H 4.909908 3.824298 4.219944 3.351163 2.020057 16 H 6.720477 5.466710 5.399159 4.260301 3.399206 17 H 5.489319 4.355842 4.427873 3.535546 2.713873 18 C 4.716912 4.889032 6.161565 6.168163 5.040018 19 Br 5.282082 3.916693 2.777082 1.873721 2.853981 20 H 2.048622 3.233393 4.532793 5.287522 4.917574 21 H 6.036321 4.681337 4.248127 3.096980 2.778079 22 H 6.033018 4.645039 4.185602 2.974808 2.645891 23 N 5.912252 6.192555 7.480625 7.488752 6.335983 24 H 4.909328 4.761849 5.907429 5.701439 4.454677 25 C 6.316005 6.886373 8.239173 8.433445 7.396795 26 C 7.132617 7.219960 8.424452 8.247413 6.983548 27 H 7.085198 7.639952 8.981273 9.144649 8.081149 28 H 5.574849 6.312039 7.684936 8.022269 7.110534 29 H 6.884659 7.495343 8.845118 9.057036 8.032311 30 H 7.806825 7.913201 9.117228 8.929675 7.657067 31 H 7.721929 7.863641 9.073364 8.920063 7.675537 32 H 7.047756 6.920038 8.024627 7.699729 6.379973 11 12 13 14 15 11 C 0.000000 12 N 1.352135 0.000000 13 C 2.213049 1.296558 0.000000 14 N 2.568536 2.329580 1.356840 0.000000 15 H 2.516807 2.467493 3.750490 4.724308 0.000000 16 H 4.391514 4.636448 5.893328 6.756910 2.469281 17 H 3.412235 3.713600 4.831917 5.551971 2.456008 18 C 4.027693 2.689708 2.262507 3.443164 4.306234 19 Br 3.974900 5.223845 6.178661 6.196494 4.389446 20 H 3.564735 3.196555 2.014645 0.997695 5.643145 21 H 3.973183 4.693427 5.885491 6.423616 3.047496 22 H 3.911607 4.654796 5.873422 6.425948 2.780997 23 N 5.352425 4.010691 3.516462 4.568197 5.425877 24 H 3.672759 2.350222 2.485849 3.821302 3.400304 25 C 6.270024 4.992545 4.180456 4.911551 6.724505 26 C 6.205949 4.864656 4.672255 5.850041 5.693054 27 H 6.994126 5.708007 4.954896 5.693298 7.324757 28 H 5.882292 4.708525 3.693883 4.179651 6.733641 29 H 6.907295 5.648159 4.826433 5.493676 7.332563 30 H 6.899317 5.560849 5.357835 6.510926 6.332055 31 H 6.888869 5.568817 5.318138 6.428371 6.383184 32 H 5.777865 4.490586 4.590462 5.879117 4.889748 16 17 18 19 20 16 H 0.000000 17 H 1.763415 0.000000 18 C 6.388063 5.642150 0.000000 19 Br 4.412726 4.170633 7.884726 0.000000 20 H 7.695805 6.457367 3.643616 7.143184 0.000000 21 H 1.759844 1.756780 6.962734 2.913780 7.396681 22 H 2.882855 3.594625 6.907048 2.699682 7.410683 23 N 7.380384 6.716209 1.326074 9.187075 4.562752 24 H 5.464512 4.919134 1.077449 7.296526 4.258436 25 C 8.698632 7.879494 2.432029 10.214778 4.603838 26 C 7.441461 7.063332 2.418320 9.811510 5.946583 27 H 9.104792 8.251376 3.169405 10.904389 5.375561 28 H 8.753025 7.767492 2.522417 9.855741 3.730537 29 H 9.416906 8.709946 3.100478 10.832839 5.127399 30 H 7.839488 7.408680 3.143766 10.477169 6.564881 31 H 8.231488 7.964981 3.115128 10.478467 6.455913 32 H 6.543732 6.346108 2.514085 9.149577 6.151677 21 22 23 24 25 21 H 0.000000 22 H 2.532703 0.000000 23 N 8.117466 8.079677 0.000000 24 H 6.186932 6.056629 2.031696 0.000000 25 C 9.312313 9.335213 1.451151 3.374413 0.000000 26 C 8.456485 8.350696 1.448005 2.547156 2.465130 27 H 9.789482 10.020278 2.082592 4.016669 1.084394 28 H 9.166347 9.253853 2.075058 3.588043 1.076003 29 H 10.062981 9.856635 2.090218 3.971118 1.085197 30 H 8.913367 9.052847 2.088851 3.314280 2.739190 31 H 9.266318 8.921328 2.091766 3.286763 2.744635 32 H 7.669440 7.506925 2.085511 2.166698 3.383487 26 27 28 29 30 26 C 0.000000 27 H 2.697983 0.000000 28 H 3.370824 1.764734 0.000000 29 H 2.768287 1.762299 1.763779 0.000000 30 H 1.084500 2.521984 3.686475 3.158646 0.000000 31 H 1.084987 3.059148 3.727506 2.605419 1.760353 32 H 1.080849 3.682549 4.155475 3.734898 1.758588 31 32 31 H 0.000000 32 H 1.758768 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.258177 -1.941500 0.002874 2 6 0 -1.772570 -2.514245 1.316550 3 8 0 -1.902791 -2.459173 -1.107101 4 7 0 3.349345 0.639021 0.048648 5 8 0 0.189800 3.864325 0.017100 6 6 0 0.350646 2.680789 0.017772 7 6 0 -0.608505 1.608443 0.005820 8 7 0 -1.984361 1.637768 -0.014533 9 6 0 -2.320863 0.414383 -0.013081 10 7 0 -1.270445 -0.473308 0.006790 11 6 0 -0.159659 0.318728 0.012536 12 7 0 1.117213 -0.125537 0.034832 13 6 0 1.993345 0.830211 0.035929 14 7 0 1.648816 2.142575 0.032047 15 1 0 -0.219517 -2.194051 -0.116589 16 1 0 -1.693454 -3.594712 1.284483 17 1 0 -1.178564 -2.143511 2.143865 18 6 0 3.768125 -0.569285 -0.066552 19 35 0 -4.105650 -0.153885 -0.062429 20 1 0 2.395459 2.804318 0.036037 21 1 0 -2.806877 -2.247874 1.492729 22 1 0 -2.839781 -2.329489 -1.038445 23 7 0 5.050599 -0.905540 -0.040722 24 1 0 3.083896 -1.391817 -0.193713 25 6 0 6.104865 0.078747 0.119100 26 6 0 5.471748 -2.277641 -0.232271 27 1 0 6.752517 -0.211912 0.938841 28 1 0 5.669674 1.040431 0.327799 29 1 0 6.698912 0.141003 -0.786927 30 1 0 6.055816 -2.614322 0.617228 31 1 0 6.081042 -2.367341 -1.125530 32 1 0 4.610662 -2.922585 -0.336257 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5647245 0.1450631 0.1183696 Standard basis: 6-31G(d) (6D, 7F) There are 326 symmetry adapted cartesian basis functions of A symmetry. There are 326 symmetry adapted basis functions of A symmetry. 326 basis functions, 639 primitive gaussians, 326 cartesian basis functions 83 alpha electrons 83 beta electrons nuclear repulsion energy 1840.1655972725 Hartrees. NAtoms= 32 NActive= 32 NUniq= 32 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= 326 RedAO= T EigKep= 6.39D-04 NBF= 326 NBsUse= 326 1.00D-06 EigRej= -1.00D+00 NBFU= 326 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 0.000006 0.000002 0.000002 Ang= 0.00 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -3432.58131006 A.U. after 7 cycles NFock= 7 Conv=0.41D-08 -V/T= 2.0038 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 -0.000001542 0.000003417 0.000002270 2 6 0.000001082 0.000000179 0.000000444 3 8 0.000000681 -0.000001112 -0.000000685 4 7 0.000004282 0.000002494 0.000001452 5 8 -0.000000679 -0.000000802 -0.000001739 6 6 0.000001355 0.000003056 0.000001165 7 6 -0.000001991 -0.000003306 -0.000000906 8 7 -0.000000296 0.000002051 0.000001156 9 6 -0.000001380 -0.000000163 0.000001554 10 7 0.000002741 -0.000004607 -0.000005940 11 6 0.000002359 0.000002394 0.000004623 12 7 0.000000034 0.000001237 0.000000998 13 6 -0.000000308 -0.000004346 -0.000004580 14 7 -0.000003562 -0.000001068 0.000001848 15 1 -0.000000483 0.000000192 -0.000000595 16 1 -0.000000331 0.000000288 -0.000000339 17 1 -0.000000262 -0.000000280 0.000000730 18 6 -0.000003986 0.000000207 0.000001976 19 35 0.000000153 0.000000177 -0.000001047 20 1 0.000000101 -0.000000087 -0.000000223 21 1 -0.000000022 0.000000312 -0.000000038 22 1 -0.000001001 0.000000218 -0.000000165 23 7 0.000007483 0.000001636 -0.000004334 24 1 -0.000000232 -0.000000285 -0.000000476 25 6 -0.000002298 0.000000778 0.000001157 26 6 0.000001563 -0.000001767 -0.000000265 27 1 -0.000001563 0.000000134 -0.000000087 28 1 -0.000001947 0.000001793 -0.000000580 29 1 -0.000001219 -0.000001838 0.000001415 30 1 0.000000187 -0.000000858 -0.000000019 31 1 0.000000814 -0.000000694 0.000000851 32 1 0.000000268 0.000000651 0.000000379 ------------------------------------------------------------------- Cartesian Forces: Max 0.000007483 RMS 0.000001997 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000008752 RMS 0.000001368 Search for a local minimum. Step number 44 out of a maximum of 168 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 35 36 37 38 39 40 41 42 44 DE= -4.01D-09 DEPred=-3.47D-09 R= 1.16D+00 Trust test= 1.16D+00 RLast= 9.93D-04 DXMaxT set to 6.48D-01 ITU= 0 0 0 0 1 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 0 1 0 1 0 -1 -1 1 -1 1 1 1 1 1 1 ITU= 1 1 1 0 Eigenvalues --- 0.00022 0.00178 0.00305 0.00406 0.00672 Eigenvalues --- 0.00727 0.00738 0.01161 0.01714 0.01809 Eigenvalues --- 0.01842 0.02092 0.02347 0.02625 0.02746 Eigenvalues --- 0.03213 0.04081 0.04310 0.05487 0.05509 Eigenvalues --- 0.05807 0.05842 0.06521 0.06869 0.06928 Eigenvalues --- 0.07662 0.07802 0.07851 0.07983 0.08955 Eigenvalues --- 0.15273 0.15567 0.15995 0.16016 0.16031 Eigenvalues --- 0.16043 0.16109 0.16167 0.16368 0.16622 Eigenvalues --- 0.17345 0.17551 0.18939 0.19699 0.21358 Eigenvalues --- 0.23396 0.23678 0.23797 0.24262 0.24817 Eigenvalues --- 0.24985 0.25588 0.25949 0.28056 0.29044 Eigenvalues --- 0.30723 0.31255 0.32691 0.32715 0.33678 Eigenvalues --- 0.33749 0.33757 0.33788 0.33859 0.33957 Eigenvalues --- 0.34011 0.34230 0.34856 0.37275 0.37314 Eigenvalues --- 0.38588 0.39741 0.41012 0.41555 0.42174 Eigenvalues --- 0.44171 0.44649 0.48242 0.48707 0.49149 Eigenvalues --- 0.50083 0.51112 0.51614 0.53357 0.56509 Eigenvalues --- 0.61881 0.69378 0.72376 0.83939 0.87631 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 44 43 42 41 40 39 38 37 36 35 RFO step: Lambda=-9.38851602D-10. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. DIIS inversion failure, remove point 3. RFO-DIIS uses 2 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.50607 -0.50607 0.00000 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00011933 RMS(Int)= 0.00000002 Iteration 2 RMS(Cart)= 0.00000002 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87734 0.00000 -0.00000 0.00000 0.00000 2.87734 R2 2.61545 0.00000 -0.00000 0.00001 0.00001 2.61546 R3 2.77459 -0.00000 0.00001 -0.00001 -0.00001 2.77458 R4 2.03255 -0.00000 0.00000 -0.00000 0.00000 2.03255 R5 2.04815 -0.00000 0.00000 -0.00000 -0.00000 2.04815 R6 2.04819 0.00000 -0.00000 0.00000 0.00000 2.04819 R7 2.04561 -0.00000 -0.00000 0.00000 0.00000 2.04561 R8 1.79224 0.00000 0.00000 -0.00000 -0.00000 1.79223 R9 2.58793 0.00000 -0.00000 0.00001 0.00001 2.58794 R10 2.42641 -0.00000 -0.00000 0.00000 0.00000 2.42641 R11 2.25712 0.00000 -0.00000 0.00000 0.00000 2.25712 R12 2.71887 0.00000 -0.00000 0.00000 0.00000 2.71887 R13 2.65580 -0.00000 0.00001 -0.00001 -0.00000 2.65580 R14 2.60087 -0.00000 -0.00000 -0.00000 -0.00000 2.60086 R15 2.58062 0.00000 0.00000 -0.00000 0.00000 2.58062 R16 2.39772 0.00000 -0.00000 -0.00000 -0.00000 2.39772 R17 2.59916 0.00000 0.00001 0.00000 0.00001 2.59916 R18 3.54082 -0.00000 0.00000 -0.00001 -0.00001 3.54081 R19 2.57807 -0.00000 -0.00001 0.00000 -0.00000 2.57807 R20 2.55517 0.00000 0.00000 -0.00000 0.00000 2.55517 R21 2.45014 -0.00000 0.00001 -0.00001 -0.00000 2.45014 R22 2.56406 0.00000 -0.00001 0.00001 0.00001 2.56407 R23 1.88537 -0.00000 0.00000 -0.00000 -0.00000 1.88537 R24 2.50592 0.00000 -0.00001 0.00001 0.00001 2.50592 R25 2.03608 0.00000 0.00000 -0.00000 -0.00000 2.03608 R26 2.74228 0.00000 0.00000 -0.00000 0.00000 2.74228 R27 2.73633 0.00000 -0.00001 0.00001 0.00001 2.73634 R28 2.04921 -0.00000 0.00000 -0.00000 0.00000 2.04921 R29 2.03335 0.00000 -0.00000 0.00000 0.00000 2.03335 R30 2.05073 -0.00000 0.00000 -0.00001 -0.00001 2.05072 R31 2.04941 -0.00000 0.00000 -0.00000 -0.00000 2.04941 R32 2.05033 -0.00000 -0.00000 -0.00000 -0.00000 2.05033 R33 2.04251 -0.00000 0.00000 -0.00000 -0.00000 2.04251 A1 1.97565 0.00000 -0.00000 0.00000 -0.00000 1.97565 A2 1.95090 0.00000 0.00000 -0.00000 -0.00000 1.95090 A3 1.91107 -0.00000 -0.00001 0.00001 0.00000 1.91107 A4 1.95224 -0.00000 0.00000 -0.00001 -0.00000 1.95224 A5 1.84716 0.00000 -0.00000 0.00001 0.00001 1.84717 A6 1.81642 -0.00000 0.00001 -0.00001 -0.00001 1.81641 A7 1.90160 -0.00000 0.00000 -0.00001 -0.00001 1.90159 A8 1.92276 0.00000 -0.00001 0.00001 0.00001 1.92277 A9 1.95051 -0.00000 0.00000 -0.00000 -0.00000 1.95051 A10 1.90029 -0.00000 -0.00000 0.00000 -0.00000 1.90029 A11 1.89639 0.00000 -0.00000 0.00000 0.00000 1.89639 A12 1.89152 -0.00000 0.00000 -0.00000 -0.00000 1.89152 A13 1.92937 -0.00000 -0.00000 0.00000 0.00000 1.92937 A14 2.04147 0.00000 -0.00001 0.00003 0.00001 2.04149 A15 2.27675 -0.00000 0.00001 -0.00001 -0.00000 2.27674 A16 2.09887 0.00000 -0.00001 0.00001 0.00001 2.09888 A17 1.90757 -0.00000 -0.00000 -0.00000 -0.00000 1.90757 A18 2.27926 -0.00000 0.00000 -0.00000 -0.00000 2.27926 A19 2.07687 -0.00000 0.00001 -0.00001 -0.00000 2.07687 A20 1.92705 0.00000 -0.00001 0.00001 0.00000 1.92705 A21 1.81786 -0.00000 0.00000 -0.00001 -0.00000 1.81786 A22 2.00398 -0.00000 -0.00000 0.00000 -0.00000 2.00398 A23 2.14720 -0.00000 0.00001 -0.00001 0.00000 2.14720 A24 2.13188 0.00000 -0.00000 0.00000 -0.00000 2.13188 A25 2.28064 0.00000 0.00000 0.00001 0.00001 2.28065 A26 2.18187 -0.00000 0.00000 -0.00001 -0.00001 2.18186 A27 1.82057 0.00000 -0.00000 0.00000 0.00000 1.82057 A28 1.85528 -0.00000 0.00001 -0.00001 -0.00000 1.85528 A29 2.24052 0.00000 -0.00001 0.00001 0.00000 2.24053 A30 2.18732 0.00000 0.00000 -0.00000 0.00000 2.18732 A31 1.97788 -0.00000 0.00000 -0.00000 -0.00000 1.97788 A32 2.17267 -0.00000 -0.00000 -0.00000 -0.00000 2.17266 A33 1.96761 0.00000 -0.00000 0.00001 0.00001 1.96762 A34 2.14289 -0.00000 0.00000 -0.00001 -0.00000 2.14289 A35 2.22055 0.00000 -0.00000 0.00001 0.00000 2.22055 A36 2.02340 -0.00000 0.00000 -0.00001 -0.00000 2.02339 A37 2.03923 -0.00000 -0.00000 -0.00000 -0.00000 2.03923 A38 2.15592 -0.00000 -0.00001 0.00002 0.00001 2.15593 A39 2.11984 0.00000 0.00000 -0.00001 -0.00001 2.11983 A40 2.00742 0.00000 0.00001 -0.00001 -0.00000 2.00742 A41 2.13267 -0.00001 -0.00000 -0.00001 -0.00001 2.13266 A42 2.11646 0.00000 0.00000 0.00000 0.00000 2.11646 A43 2.03308 0.00001 0.00001 0.00001 0.00002 2.03310 A44 1.91278 0.00000 0.00001 0.00001 0.00002 1.91280 A45 1.91107 0.00000 -0.00001 0.00002 0.00001 1.91108 A46 1.92267 -0.00000 0.00000 -0.00003 -0.00003 1.92264 A47 1.91187 -0.00000 -0.00000 -0.00000 -0.00001 1.91186 A48 1.89607 0.00000 0.00000 0.00000 0.00000 1.89608 A49 1.90928 -0.00000 -0.00000 0.00000 0.00000 1.90929 A50 1.92537 0.00000 0.00000 0.00000 0.00000 1.92538 A51 1.92899 0.00000 -0.00002 0.00003 0.00001 1.92900 A52 1.92457 -0.00000 -0.00000 0.00000 0.00000 1.92457 A53 1.89314 -0.00000 0.00001 -0.00001 -0.00000 1.89313 A54 1.89565 -0.00000 0.00001 -0.00002 -0.00001 1.89564 A55 1.89531 -0.00000 0.00000 -0.00001 -0.00000 1.89531 D1 0.97125 0.00000 -0.00000 0.00002 0.00002 0.97127 D2 3.05480 0.00000 -0.00001 0.00003 0.00002 3.05482 D3 -1.12453 0.00000 -0.00000 0.00003 0.00002 -1.12451 D4 -3.08843 -0.00000 0.00000 0.00001 0.00002 -3.08841 D5 -1.00487 -0.00000 -0.00000 0.00002 0.00002 -1.00485 D6 1.09898 -0.00000 0.00000 0.00002 0.00002 1.09900 D7 -1.08503 -0.00000 0.00001 0.00000 0.00001 -1.08502 D8 0.99852 0.00000 0.00001 0.00001 0.00001 0.99853 D9 3.10237 -0.00000 0.00001 0.00001 0.00001 3.10239 D10 0.97497 0.00000 -0.00005 0.00007 0.00001 0.97498 D11 -1.24784 -0.00000 -0.00006 0.00008 0.00002 -1.24782 D12 3.06816 0.00000 -0.00007 0.00009 0.00002 3.06818 D13 -1.21617 0.00000 0.00005 -0.00001 0.00004 -1.21613 D14 1.94349 -0.00000 -0.00000 -0.00007 -0.00008 1.94341 D15 1.01988 0.00000 0.00006 -0.00002 0.00004 1.01992 D16 -2.10365 -0.00000 -0.00000 -0.00008 -0.00008 -2.10373 D17 3.00617 -0.00000 0.00006 -0.00001 0.00004 3.00621 D18 -0.11736 -0.00000 -0.00000 -0.00007 -0.00008 -0.11744 D19 0.11095 0.00000 0.00023 -0.00016 0.00007 0.11101 D20 -3.03679 -0.00000 0.00022 -0.00019 0.00003 -3.03676 D21 -3.11468 -0.00000 0.00004 -0.00007 -0.00003 -3.11472 D22 0.02757 0.00000 0.00004 -0.00005 -0.00001 0.02756 D23 0.00454 -0.00000 0.00003 -0.00007 -0.00004 0.00449 D24 -3.13919 -0.00000 -0.00000 -0.00004 -0.00004 -3.13923 D25 -3.13709 0.00000 -0.00000 0.00000 0.00000 -3.13709 D26 0.00237 0.00000 -0.00003 0.00003 -0.00000 0.00237 D27 3.14044 0.00000 0.00000 0.00005 0.00005 3.14049 D28 -0.00577 0.00000 -0.00002 0.00004 0.00002 -0.00575 D29 -0.00112 0.00000 0.00003 -0.00001 0.00001 -0.00111 D30 3.13585 -0.00000 0.00000 -0.00002 -0.00002 3.13583 D31 -3.13841 -0.00000 -0.00000 -0.00004 -0.00005 -3.13846 D32 0.00517 -0.00000 0.00002 -0.00007 -0.00004 0.00512 D33 3.13520 0.00000 0.00000 0.00007 0.00007 3.13526 D34 0.00492 -0.00000 0.00003 -0.00003 0.00000 0.00492 D35 -0.00812 0.00000 -0.00002 0.00009 0.00006 -0.00806 D36 -3.13840 -0.00000 0.00000 -0.00000 -0.00000 -3.13840 D37 -0.00015 0.00000 -0.00001 0.00002 0.00001 -0.00014 D38 -3.12497 0.00000 -0.00001 0.00005 0.00005 -3.12493 D39 -3.13108 -0.00000 -0.00005 -0.00002 -0.00007 -3.13115 D40 -0.00476 0.00000 -0.00000 0.00003 0.00003 -0.00473 D41 -0.00610 -0.00000 -0.00006 -0.00005 -0.00011 -0.00620 D42 3.12022 -0.00000 -0.00001 0.00000 -0.00001 3.12022 D43 3.13493 -0.00000 0.00006 -0.00002 0.00004 3.13497 D44 -0.01753 0.00000 0.00003 0.00006 0.00010 -0.01743 D45 0.00748 -0.00000 0.00001 -0.00007 -0.00006 0.00742 D46 3.13820 0.00000 -0.00001 0.00002 0.00001 3.13821 D47 -0.01297 -0.00000 -0.00001 0.00000 -0.00001 -0.01298 D48 -3.14126 -0.00000 0.00002 -0.00011 -0.00009 -3.14135 D49 -3.13469 -0.00000 0.00000 -0.00002 -0.00001 -3.13470 D50 0.01364 0.00000 0.00000 0.00002 0.00002 0.01367 D51 3.13988 0.00000 -0.00001 0.00002 0.00001 3.13989 D52 0.00294 0.00000 0.00001 0.00003 0.00004 0.00298 D53 -0.00773 -0.00000 -0.00002 -0.00001 -0.00003 -0.00776 D54 3.13851 -0.00000 0.00001 0.00000 0.00001 3.13852 D55 -0.00267 0.00000 0.00006 0.00002 0.00008 -0.00259 D56 -3.09504 0.00000 -0.00004 -0.00008 -0.00013 -3.09517 D57 3.13830 -0.00000 0.00006 0.00000 0.00006 3.13836 D58 0.04593 -0.00000 -0.00005 -0.00010 -0.00015 0.04578 D59 2.21945 -0.00000 -0.00016 -0.00035 -0.00051 2.21894 D60 0.12196 -0.00000 -0.00016 -0.00036 -0.00052 0.12144 D61 -1.97849 0.00000 -0.00015 -0.00036 -0.00051 -1.97900 D62 -0.96914 0.00000 -0.00006 -0.00025 -0.00031 -0.96945 D63 -3.06664 -0.00000 -0.00006 -0.00026 -0.00032 -3.06696 D64 1.11610 0.00000 -0.00005 -0.00026 -0.00031 1.11578 D65 -2.14386 0.00000 0.00006 0.00008 0.00014 -2.14372 D66 2.04576 -0.00000 0.00006 0.00007 0.00014 2.04589 D67 -0.05000 -0.00000 0.00007 0.00006 0.00013 -0.04987 D68 1.04427 0.00000 -0.00004 -0.00002 -0.00006 1.04421 D69 -1.04930 -0.00000 -0.00004 -0.00003 -0.00006 -1.04936 D70 3.13813 -0.00000 -0.00003 -0.00004 -0.00007 3.13806 Item Value Threshold Converged? Maximum Force 0.000009 0.000450 YES RMS Force 0.000001 0.000300 YES Maximum Displacement 0.000746 0.001800 YES RMS Displacement 0.000119 0.001200 YES Predicted change in Energy=-8.732931D-10 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5226 -DE/DX = 0.0 ! ! R2 R(1,3) 1.384 -DE/DX = 0.0 ! ! R3 R(1,10) 1.4682 -DE/DX = 0.0 ! ! R4 R(1,15) 1.0756 -DE/DX = 0.0 ! ! R5 R(2,16) 1.0838 -DE/DX = 0.0 ! ! R6 R(2,17) 1.0839 -DE/DX = 0.0 ! ! R7 R(2,21) 1.0825 -DE/DX = 0.0 ! ! R8 R(3,22) 0.9484 -DE/DX = 0.0 ! ! R9 R(4,13) 1.3695 -DE/DX = 0.0 ! ! R10 R(4,18) 1.284 -DE/DX = 0.0 ! ! R11 R(5,6) 1.1944 -DE/DX = 0.0 ! ! R12 R(6,7) 1.4388 -DE/DX = 0.0 ! ! R13 R(6,14) 1.4054 -DE/DX = 0.0 ! ! R14 R(7,8) 1.3763 -DE/DX = 0.0 ! ! R15 R(7,11) 1.3656 -DE/DX = 0.0 ! ! R16 R(8,9) 1.2688 -DE/DX = 0.0 ! ! R17 R(9,10) 1.3754 -DE/DX = 0.0 ! ! R18 R(9,19) 1.8737 -DE/DX = 0.0 ! ! R19 R(10,11) 1.3643 -DE/DX = 0.0 ! ! R20 R(11,12) 1.3521 -DE/DX = 0.0 ! ! R21 R(12,13) 1.2966 -DE/DX = 0.0 ! ! R22 R(13,14) 1.3568 -DE/DX = 0.0 ! ! R23 R(14,20) 0.9977 -DE/DX = 0.0 ! ! R24 R(18,23) 1.3261 -DE/DX = 0.0 ! ! R25 R(18,24) 1.0774 -DE/DX = 0.0 ! ! R26 R(23,25) 1.4512 -DE/DX = 0.0 ! ! R27 R(23,26) 1.448 -DE/DX = 0.0 ! ! R28 R(25,27) 1.0844 -DE/DX = 0.0 ! ! R29 R(25,28) 1.076 -DE/DX = 0.0 ! ! R30 R(25,29) 1.0852 -DE/DX = 0.0 ! ! R31 R(26,30) 1.0845 -DE/DX = 0.0 ! ! R32 R(26,31) 1.085 -DE/DX = 0.0 ! ! R33 R(26,32) 1.0808 -DE/DX = 0.0 ! ! A1 A(2,1,3) 113.1967 -DE/DX = 0.0 ! ! A2 A(2,1,10) 111.7784 -DE/DX = 0.0 ! ! A3 A(2,1,15) 109.496 -DE/DX = 0.0 ! ! A4 A(3,1,10) 111.8553 -DE/DX = 0.0 ! ! A5 A(3,1,15) 105.8347 -DE/DX = 0.0 ! ! A6 A(10,1,15) 104.0732 -DE/DX = 0.0 ! ! A7 A(1,2,16) 108.9535 -DE/DX = 0.0 ! ! A8 A(1,2,17) 110.1663 -DE/DX = 0.0 ! ! A9 A(1,2,21) 111.7559 -DE/DX = 0.0 ! ! A10 A(16,2,17) 108.8788 -DE/DX = 0.0 ! ! A11 A(16,2,21) 108.6551 -DE/DX = 0.0 ! ! A12 A(17,2,21) 108.3763 -DE/DX = 0.0 ! ! A13 A(1,3,22) 110.5449 -DE/DX = 0.0 ! ! A14 A(13,4,18) 116.9678 -DE/DX = 0.0 ! ! A15 A(5,6,7) 130.4479 -DE/DX = 0.0 ! ! A16 A(5,6,14) 120.2565 -DE/DX = 0.0 ! ! A17 A(7,6,14) 109.2956 -DE/DX = 0.0 ! ! A18 A(6,7,8) 130.592 -DE/DX = 0.0 ! ! A19 A(6,7,11) 118.9961 -DE/DX = 0.0 ! ! A20 A(8,7,11) 110.4118 -DE/DX = 0.0 ! ! A21 A(7,8,9) 104.1557 -DE/DX = 0.0 ! ! A22 A(8,9,10) 114.8195 -DE/DX = 0.0 ! ! A23 A(8,9,19) 123.0256 -DE/DX = 0.0 ! ! A24 A(10,9,19) 122.1477 -DE/DX = 0.0 ! ! A25 A(1,10,9) 130.6712 -DE/DX = 0.0 ! ! A26 A(1,10,11) 125.0119 -DE/DX = 0.0 ! ! A27 A(9,10,11) 104.3109 -DE/DX = 0.0 ! ! A28 A(7,11,10) 106.2999 -DE/DX = 0.0 ! ! A29 A(7,11,12) 128.3726 -DE/DX = 0.0 ! ! A30 A(10,11,12) 125.3241 -DE/DX = 0.0 ! ! A31 A(11,12,13) 113.3245 -DE/DX = 0.0 ! ! A32 A(4,13,12) 124.4847 -DE/DX = 0.0 ! ! A33 A(4,13,14) 112.7357 -DE/DX = 0.0 ! ! A34 A(12,13,14) 122.7786 -DE/DX = 0.0 ! ! A35 A(6,14,13) 127.2279 -DE/DX = 0.0 ! ! A36 A(6,14,20) 115.9321 -DE/DX = 0.0 ! ! A37 A(13,14,20) 116.8395 -DE/DX = 0.0 ! ! A38 A(4,18,23) 123.5252 -DE/DX = 0.0 ! ! A39 A(4,18,24) 121.4578 -DE/DX = 0.0 ! ! A40 A(23,18,24) 115.0169 -DE/DX = 0.0 ! ! A41 A(18,23,25) 122.1927 -DE/DX = 0.0 ! ! A42 A(18,23,26) 121.2643 -DE/DX = 0.0 ! ! A43 A(25,23,26) 116.4868 -DE/DX = 0.0 ! ! A44 A(23,25,27) 109.594 -DE/DX = 0.0 ! ! A45 A(23,25,28) 109.4961 -DE/DX = 0.0 ! ! A46 A(23,25,29) 110.1608 -DE/DX = 0.0 ! ! A47 A(27,25,28) 109.542 -DE/DX = 0.0 ! ! A48 A(27,25,29) 108.6371 -DE/DX = 0.0 ! ! A49 A(28,25,29) 109.3939 -DE/DX = 0.0 ! ! A50 A(23,26,30) 110.3158 -DE/DX = 0.0 ! ! A51 A(23,26,31) 110.5228 -DE/DX = 0.0 ! ! A52 A(23,26,32) 110.2696 -DE/DX = 0.0 ! ! A53 A(30,26,31) 108.4687 -DE/DX = 0.0 ! ! A54 A(30,26,32) 108.6129 -DE/DX = 0.0 ! ! A55 A(31,26,32) 108.5934 -DE/DX = 0.0 ! ! D1 D(3,1,2,16) 55.6483 -DE/DX = 0.0 ! ! D2 D(3,1,2,17) 175.0272 -DE/DX = 0.0 ! ! D3 D(3,1,2,21) -64.4309 -DE/DX = 0.0 ! ! D4 D(10,1,2,16) -176.9537 -DE/DX = 0.0 ! ! D5 D(10,1,2,17) -57.5748 -DE/DX = 0.0 ! ! D6 D(10,1,2,21) 62.967 -DE/DX = 0.0 ! ! D7 D(15,1,2,16) -62.1678 -DE/DX = 0.0 ! ! D8 D(15,1,2,17) 57.2111 -DE/DX = 0.0 ! ! D9 D(15,1,2,21) 177.7529 -DE/DX = 0.0 ! ! D10 D(2,1,3,22) 55.8615 -DE/DX = 0.0 ! ! D11 D(10,1,3,22) -71.4961 -DE/DX = 0.0 ! ! D12 D(15,1,3,22) 175.7927 -DE/DX = 0.0 ! ! D13 D(2,1,10,9) -69.6815 -DE/DX = 0.0 ! ! D14 D(2,1,10,11) 111.3537 -DE/DX = 0.0 ! ! D15 D(3,1,10,9) 58.4348 -DE/DX = 0.0 ! ! D16 D(3,1,10,11) -120.53 -DE/DX = 0.0 ! ! D17 D(15,1,10,9) 172.2406 -DE/DX = 0.0 ! ! D18 D(15,1,10,11) -6.7242 -DE/DX = 0.0 ! ! D19 D(18,4,13,12) 6.3567 -DE/DX = 0.0 ! ! D20 D(18,4,13,14) -173.9953 -DE/DX = 0.0 ! ! D21 D(13,4,18,23) -178.4582 -DE/DX = 0.0 ! ! D22 D(13,4,18,24) 1.5799 -DE/DX = 0.0 ! ! D23 D(5,6,7,8) 0.2599 -DE/DX = 0.0 ! ! D24 D(5,6,7,11) -179.8622 -DE/DX = 0.0 ! ! D25 D(14,6,7,8) -179.742 -DE/DX = 0.0 ! ! D26 D(14,6,7,11) 0.136 -DE/DX = 0.0 ! ! D27 D(5,6,14,13) 179.9341 -DE/DX = 0.0 ! ! D28 D(5,6,14,20) -0.3304 -DE/DX = 0.0 ! ! D29 D(7,6,14,13) -0.0643 -DE/DX = 0.0 ! ! D30 D(7,6,14,20) 179.6712 -DE/DX = 0.0 ! ! D31 D(6,7,8,9) -179.8179 -DE/DX = 0.0 ! ! D32 D(11,7,8,9) 0.296 -DE/DX = 0.0 ! ! D33 D(6,7,11,10) 179.6335 -DE/DX = 0.0 ! ! D34 D(6,7,11,12) 0.2816 -DE/DX = 0.0 ! ! D35 D(8,7,11,10) -0.4654 -DE/DX = 0.0 ! ! D36 D(8,7,11,12) -179.8172 -DE/DX = 0.0 ! ! D37 D(7,8,9,10) -0.0087 -DE/DX = 0.0 ! ! D38 D(7,8,9,19) -179.0477 -DE/DX = 0.0 ! ! D39 D(8,9,10,1) -179.3977 -DE/DX = 0.0 ! ! D40 D(8,9,10,11) -0.2727 -DE/DX = 0.0 ! ! D41 D(19,9,10,1) -0.3494 -DE/DX = 0.0 ! ! D42 D(19,9,10,11) 178.7756 -DE/DX = 0.0 ! ! D43 D(1,10,11,7) 179.6183 -DE/DX = 0.0 ! ! D44 D(1,10,11,12) -1.0045 -DE/DX = 0.0 ! ! D45 D(9,10,11,7) 0.4286 -DE/DX = 0.0 ! ! D46 D(9,10,11,12) 179.8058 -DE/DX = 0.0 ! ! D47 D(7,11,12,13) -0.7433 -DE/DX = 0.0 ! ! D48 D(10,11,12,13) -179.9808 -DE/DX = 0.0 ! ! D49 D(11,12,13,4) -179.6043 -DE/DX = 0.0 ! ! D50 D(11,12,13,14) 0.7818 -DE/DX = 0.0 ! ! D51 D(4,13,14,6) 179.902 -DE/DX = 0.0 ! ! D52 D(4,13,14,20) 0.1686 -DE/DX = 0.0 ! ! D53 D(12,13,14,6) -0.4431 -DE/DX = 0.0 ! ! D54 D(12,13,14,20) 179.8235 -DE/DX = 0.0 ! ! D55 D(4,18,23,25) -0.1529 -DE/DX = 0.0 ! ! D56 D(4,18,23,26) -177.3327 -DE/DX = 0.0 ! ! D57 D(24,18,23,25) 179.8113 -DE/DX = 0.0 ! ! D58 D(24,18,23,26) 2.6314 -DE/DX = 0.0 ! ! D59 D(18,23,25,27) 127.1654 -DE/DX = 0.0 ! ! D60 D(18,23,25,28) 6.9878 -DE/DX = 0.0 ! ! D61 D(18,23,25,29) -113.3593 -DE/DX = 0.0 ! ! D62 D(26,23,25,27) -55.5278 -DE/DX = 0.0 ! ! D63 D(26,23,25,28) -175.7054 -DE/DX = 0.0 ! ! D64 D(26,23,25,29) 63.9475 -DE/DX = 0.0 ! ! D65 D(18,23,26,30) -122.8343 -DE/DX = 0.0 ! ! D66 D(18,23,26,31) 117.2132 -DE/DX = 0.0 ! ! D67 D(18,23,26,32) -2.8649 -DE/DX = 0.0 ! ! D68 D(25,23,26,30) 59.832 -DE/DX = 0.0 ! ! D69 D(25,23,26,31) -60.1205 -DE/DX = 0.0 ! ! D70 D(25,23,26,32) 179.8015 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 7.205066 -4.819874 2.220487 2 6 0 7.223226 -5.006580 3.731511 3 8 0 7.412819 -5.997223 1.523173 4 7 0 7.639883 0.086138 0.314596 5 8 0 3.237927 -0.888829 0.072667 6 6 0 4.299637 -1.327157 0.400187 7 6 0 4.649116 -2.605354 0.960647 8 7 0 3.862923 -3.690227 1.275615 9 6 0 4.680857 -4.541782 1.740099 10 7 0 5.991475 -4.125809 1.771904 11 6 0 5.957364 -2.863774 1.254891 12 7 0 7.029214 -2.055165 1.095020 13 6 0 6.730768 -0.902680 0.581434 14 7 0 5.461530 -0.549621 0.256781 15 1 0 8.004977 -4.161933 1.930449 16 1 0 8.158981 -5.472768 4.017395 17 1 0 7.143900 -4.046220 4.227651 18 6 0 8.879988 -0.203148 0.479231 19 35 0 4.162047 -6.247782 2.315623 20 1 0 5.332306 0.360614 -0.130734 21 1 0 6.407190 -5.633077 4.068216 22 1 0 6.776803 -6.652456 1.779366 23 7 0 9.865762 0.662904 0.287717 24 1 0 9.191620 -1.187231 0.788042 25 6 0 9.622752 2.030162 -0.133462 26 6 0 11.251436 0.268361 0.432496 27 1 0 10.117606 2.713832 0.547438 28 1 0 8.564300 2.223707 -0.131755 29 1 0 10.016610 2.189528 -1.132027 30 1 0 11.744992 0.890805 1.170810 31 1 0 11.776998 0.371944 -0.511035 32 1 0 11.315928 -0.762304 0.751565 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522623 0.000000 3 O 1.384037 2.427772 0.000000 4 N 5.281140 6.146925 6.206408 0.000000 5 O 5.983681 6.798943 6.754953 4.515119 0.000000 6 C 4.894291 5.760490 5.723856 3.627942 1.194416 7 C 3.608902 4.479912 4.411266 4.075070 2.392994 8 N 3.652233 4.365300 4.240906 5.426777 3.112159 9 C 2.584519 3.262730 3.103061 5.674992 4.266900 10 N 1.468249 2.476495 2.363107 4.751999 4.576842 11 C 2.513059 3.511079 3.465376 3.523777 3.562779 12 N 2.990187 3.962269 3.983753 2.359482 4.096267 13 C 4.272688 5.196873 5.225556 1.369472 3.529727 14 N 5.013095 5.919612 5.923483 2.269967 2.256850 15 H 1.075578 2.137378 1.970994 4.559647 6.073659 16 H 2.136610 1.083835 2.655739 6.699374 7.796804 17 H 2.151973 1.083853 3.345583 5.712651 6.518408 18 C 5.210710 6.032839 6.067430 1.283999 5.698097 19 Br 3.362727 3.593903 3.355336 7.497866 5.882451 20 H 5.989402 6.877448 6.891012 2.366129 2.447223 21 H 2.170715 1.082489 2.760640 6.951159 6.965381 22 H 1.932965 2.592118 0.948410 6.949756 6.975376 23 N 6.393415 7.140431 7.204205 2.299548 6.810456 24 H 4.381141 5.208263 5.180789 2.062403 6.003937 25 C 7.636051 8.379229 8.489238 2.812784 7.023460 26 C 6.742416 7.411813 7.428466 3.618070 8.104622 27 H 8.248559 8.838581 9.173354 3.619130 7.780396 28 H 7.549344 8.306645 8.464537 2.371282 6.172513 29 H 8.262921 9.123649 8.991814 3.487951 7.541758 30 H 7.370523 7.860197 8.144741 4.269955 8.760318 31 H 7.437658 8.225847 7.984382 4.228366 8.651358 32 H 5.959933 6.606373 6.575258 3.797908 8.107467 6 7 8 9 10 6 C 0.000000 7 C 1.438763 0.000000 8 N 2.557576 1.376319 0.000000 9 C 3.503499 2.087655 1.268821 0.000000 10 N 3.546319 2.184457 2.228625 1.375415 0.000000 11 C 2.416561 1.365603 2.251696 2.163471 1.364258 12 N 2.909189 2.446555 3.568114 3.480542 2.413015 13 C 2.474556 2.715911 4.059167 4.334478 3.514589 14 N 1.405391 2.319803 3.668375 4.329784 3.919894 15 H 4.909908 3.824298 4.219944 3.351163 2.020057 16 H 6.720477 5.466710 5.399159 4.260301 3.399206 17 H 5.489319 4.355842 4.427873 3.535546 2.713873 18 C 4.716912 4.889032 6.161565 6.168163 5.040018 19 Br 5.282082 3.916693 2.777082 1.873721 2.853981 20 H 2.048622 3.233393 4.532793 5.287522 4.917574 21 H 6.036321 4.681337 4.248127 3.096980 2.778079 22 H 6.033018 4.645039 4.185602 2.974808 2.645891 23 N 5.912252 6.192555 7.480625 7.488752 6.335983 24 H 4.909328 4.761849 5.907429 5.701439 4.454677 25 C 6.316005 6.886373 8.239173 8.433445 7.396795 26 C 7.132617 7.219960 8.424452 8.247413 6.983548 27 H 7.085198 7.639952 8.981273 9.144649 8.081149 28 H 5.574849 6.312039 7.684936 8.022269 7.110534 29 H 6.884659 7.495343 8.845118 9.057036 8.032311 30 H 7.806825 7.913201 9.117228 8.929675 7.657067 31 H 7.721929 7.863641 9.073364 8.920063 7.675537 32 H 7.047756 6.920038 8.024627 7.699729 6.379973 11 12 13 14 15 11 C 0.000000 12 N 1.352135 0.000000 13 C 2.213049 1.296558 0.000000 14 N 2.568536 2.329580 1.356840 0.000000 15 H 2.516807 2.467493 3.750490 4.724308 0.000000 16 H 4.391514 4.636448 5.893328 6.756910 2.469281 17 H 3.412235 3.713600 4.831917 5.551971 2.456008 18 C 4.027693 2.689708 2.262507 3.443164 4.306234 19 Br 3.974900 5.223845 6.178661 6.196494 4.389446 20 H 3.564735 3.196555 2.014645 0.997695 5.643145 21 H 3.973183 4.693427 5.885491 6.423616 3.047496 22 H 3.911607 4.654796 5.873422 6.425948 2.780997 23 N 5.352425 4.010691 3.516462 4.568197 5.425877 24 H 3.672759 2.350222 2.485849 3.821302 3.400304 25 C 6.270024 4.992545 4.180456 4.911551 6.724505 26 C 6.205949 4.864656 4.672255 5.850041 5.693054 27 H 6.994126 5.708007 4.954896 5.693298 7.324757 28 H 5.882292 4.708525 3.693883 4.179651 6.733641 29 H 6.907295 5.648159 4.826433 5.493676 7.332563 30 H 6.899317 5.560849 5.357835 6.510926 6.332055 31 H 6.888869 5.568817 5.318138 6.428371 6.383184 32 H 5.777865 4.490586 4.590462 5.879117 4.889748 16 17 18 19 20 16 H 0.000000 17 H 1.763415 0.000000 18 C 6.388063 5.642150 0.000000 19 Br 4.412726 4.170633 7.884726 0.000000 20 H 7.695805 6.457367 3.643616 7.143184 0.000000 21 H 1.759844 1.756780 6.962734 2.913780 7.396681 22 H 2.882855 3.594625 6.907048 2.699682 7.410683 23 N 7.380384 6.716209 1.326074 9.187075 4.562752 24 H 5.464512 4.919134 1.077449 7.296526 4.258436 25 C 8.698632 7.879494 2.432029 10.214778 4.603838 26 C 7.441461 7.063332 2.418320 9.811510 5.946583 27 H 9.104792 8.251376 3.169405 10.904389 5.375561 28 H 8.753025 7.767492 2.522417 9.855741 3.730537 29 H 9.416906 8.709946 3.100478 10.832839 5.127399 30 H 7.839488 7.408680 3.143766 10.477169 6.564881 31 H 8.231488 7.964981 3.115128 10.478467 6.455913 32 H 6.543732 6.346108 2.514085 9.149577 6.151677 21 22 23 24 25 21 H 0.000000 22 H 2.532703 0.000000 23 N 8.117466 8.079677 0.000000 24 H 6.186932 6.056629 2.031696 0.000000 25 C 9.312313 9.335213 1.451151 3.374413 0.000000 26 C 8.456485 8.350696 1.448005 2.547156 2.465130 27 H 9.789482 10.020278 2.082592 4.016669 1.084394 28 H 9.166347 9.253853 2.075058 3.588043 1.076003 29 H 10.062981 9.856635 2.090218 3.971118 1.085197 30 H 8.913367 9.052847 2.088851 3.314280 2.739190 31 H 9.266318 8.921328 2.091766 3.286763 2.744635 32 H 7.669440 7.506925 2.085511 2.166698 3.383487 26 27 28 29 30 26 C 0.000000 27 H 2.697983 0.000000 28 H 3.370824 1.764734 0.000000 29 H 2.768287 1.762299 1.763779 0.000000 30 H 1.084500 2.521984 3.686475 3.158646 0.000000 31 H 1.084987 3.059148 3.727506 2.605419 1.760353 32 H 1.080849 3.682549 4.155475 3.734898 1.758588 31 32 31 H 0.000000 32 H 1.758768 0.000000 Stoichiometry C10H13BrN6O2 Framework group C1[X(C10H13BrN6O2)] Deg. of freedom 90 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -1.258177 -1.941500 0.002874 2 6 0 -1.772570 -2.514245 1.316550 3 8 0 -1.902791 -2.459173 -1.107101 4 7 0 3.349345 0.639021 0.048648 5 8 0 0.189800 3.864325 0.017100 6 6 0 0.350646 2.680789 0.017772 7 6 0 -0.608505 1.608443 0.005820 8 7 0 -1.984361 1.637768 -0.014533 9 6 0 -2.320863 0.414383 -0.013081 10 7 0 -1.270445 -0.473308 0.006790 11 6 0 -0.159659 0.318728 0.012536 12 7 0 1.117213 -0.125537 0.034832 13 6 0 1.993345 0.830211 0.035929 14 7 0 1.648816 2.142575 0.032047 15 1 0 -0.219517 -2.194051 -0.116589 16 1 0 -1.693454 -3.594712 1.284483 17 1 0 -1.178564 -2.143511 2.143865 18 6 0 3.768125 -0.569285 -0.066552 19 35 0 -4.105650 -0.153885 -0.062429 20 1 0 2.395459 2.804318 0.036037 21 1 0 -2.806877 -2.247874 1.492729 22 1 0 -2.839781 -2.329489 -1.038445 23 7 0 5.050599 -0.905540 -0.040722 24 1 0 3.083896 -1.391817 -0.193713 25 6 0 6.104865 0.078747 0.119100 26 6 0 5.471748 -2.277641 -0.232271 27 1 0 6.752517 -0.211912 0.938841 28 1 0 5.669674 1.040431 0.327799 29 1 0 6.698912 0.141003 -0.786927 30 1 0 6.055816 -2.614322 0.617228 31 1 0 6.081042 -2.367341 -1.125530 32 1 0 4.610662 -2.922585 -0.336257 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5647245 0.1450631 0.1183696 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) (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) The electronic state is 1-A. Alpha occ. eigenvalues -- -490.08900 -64.50035 -58.63920 -58.63740 -58.63723 Alpha occ. eigenvalues -- -20.57843 -20.51693 -15.63295 -15.63273 -15.61174 Alpha occ. eigenvalues -- -15.56574 -15.55835 -15.55778 -11.37385 -11.35412 Alpha occ. eigenvalues -- -11.35329 -11.35193 -11.34121 -11.31608 -11.29490 Alpha occ. eigenvalues -- -11.27935 -11.24006 -11.23120 -9.74841 -7.49765 Alpha occ. eigenvalues -- -7.48856 -7.48834 -3.23667 -3.23225 -3.23204 Alpha occ. eigenvalues -- -3.22154 -3.22153 -1.41252 -1.39628 -1.36849 Alpha occ. eigenvalues -- -1.34868 -1.31586 -1.22337 -1.21717 -1.19121 Alpha occ. eigenvalues -- -1.07902 -1.03456 -1.01670 -1.01147 -0.97974 Alpha occ. eigenvalues -- -0.90598 -0.88972 -0.88321 -0.79835 -0.78776 Alpha occ. eigenvalues -- -0.77313 -0.74978 -0.73164 -0.70767 -0.69221 Alpha occ. eigenvalues -- -0.68523 -0.67078 -0.65600 -0.64348 -0.63931 Alpha occ. eigenvalues -- -0.61683 -0.60994 -0.60877 -0.59176 -0.59093 Alpha occ. eigenvalues -- -0.56972 -0.56777 -0.56094 -0.55173 -0.54775 Alpha occ. eigenvalues -- -0.53613 -0.50044 -0.48284 -0.47233 -0.45911 Alpha occ. eigenvalues -- -0.45284 -0.43764 -0.42868 -0.41993 -0.41279 Alpha occ. eigenvalues -- -0.39544 -0.37817 -0.29088 Alpha virt. eigenvalues -- 0.11039 0.16373 0.16984 0.18600 0.20395 Alpha virt. eigenvalues -- 0.23075 0.24015 0.24239 0.25605 0.26763 Alpha virt. eigenvalues -- 0.27364 0.28417 0.28570 0.29873 0.30432 Alpha virt. eigenvalues -- 0.30688 0.31507 0.32105 0.35349 0.36435 Alpha virt. eigenvalues -- 0.37684 0.38664 0.39273 0.39382 0.41426 Alpha virt. eigenvalues -- 0.43614 0.44440 0.45783 0.45908 0.48595 Alpha virt. eigenvalues -- 0.49222 0.50620 0.52058 0.54608 0.57737 Alpha virt. eigenvalues -- 0.59463 0.60281 0.62456 0.63862 0.65591 Alpha virt. eigenvalues -- 0.65784 0.65953 0.66637 0.67938 0.69187 Alpha virt. eigenvalues -- 0.70274 0.70649 0.72275 0.73298 0.73874 Alpha virt. eigenvalues -- 0.74132 0.76098 0.76994 0.77510 0.80073 Alpha virt. eigenvalues -- 0.80442 0.81309 0.82332 0.85542 0.85993 Alpha virt. eigenvalues -- 0.86610 0.87339 0.88408 0.89849 0.91875 Alpha virt. eigenvalues -- 0.92381 0.93267 0.97008 0.97548 0.98263 Alpha virt. eigenvalues -- 0.99383 0.99738 1.00230 1.01256 1.02848 Alpha virt. eigenvalues -- 1.03929 1.04953 1.05218 1.06064 1.06590 Alpha virt. eigenvalues -- 1.07282 1.08826 1.09864 1.10549 1.10969 Alpha virt. eigenvalues -- 1.12914 1.13320 1.14485 1.15192 1.15767 Alpha virt. eigenvalues -- 1.16417 1.17427 1.18620 1.18962 1.19390 Alpha virt. eigenvalues -- 1.20402 1.21013 1.21632 1.21936 1.24050 Alpha virt. eigenvalues -- 1.25328 1.26153 1.26375 1.27638 1.29797 Alpha virt. eigenvalues -- 1.30581 1.31332 1.33396 1.34081 1.36515 Alpha virt. eigenvalues -- 1.37369 1.42304 1.45231 1.47334 1.48208 Alpha virt. eigenvalues -- 1.50791 1.53088 1.54646 1.55301 1.55706 Alpha virt. eigenvalues -- 1.57691 1.59778 1.59873 1.61218 1.62408 Alpha virt. eigenvalues -- 1.65561 1.66145 1.67476 1.68950 1.69364 Alpha virt. eigenvalues -- 1.72985 1.74158 1.75164 1.78418 1.82752 Alpha virt. eigenvalues -- 1.84033 1.84696 1.86259 1.87171 1.88076 Alpha virt. eigenvalues -- 1.89643 1.91666 1.96406 2.01176 2.02531 Alpha virt. eigenvalues -- 2.03264 2.05635 2.07101 2.08599 2.10121 Alpha virt. eigenvalues -- 2.11765 2.13900 2.16002 2.16523 2.16969 Alpha virt. eigenvalues -- 2.18229 2.19109 2.22814 2.24528 2.25733 Alpha virt. eigenvalues -- 2.27364 2.28028 2.29767 2.30685 2.34050 Alpha virt. eigenvalues -- 2.34306 2.34530 2.37631 2.39889 2.42367 Alpha virt. eigenvalues -- 2.45133 2.48045 2.50008 2.50349 2.51311 Alpha virt. eigenvalues -- 2.53631 2.53782 2.54651 2.54777 2.58176 Alpha virt. eigenvalues -- 2.58681 2.59994 2.60178 2.62113 2.64502 Alpha virt. eigenvalues -- 2.66616 2.68957 2.70100 2.72440 2.74618 Alpha virt. eigenvalues -- 2.74939 2.76499 2.79427 2.80377 2.83167 Alpha virt. eigenvalues -- 2.86255 2.88436 2.90481 2.92153 2.93547 Alpha virt. eigenvalues -- 2.94891 2.96752 3.00040 3.02824 3.03735 Alpha virt. eigenvalues -- 3.09106 3.09371 3.10635 3.12692 3.13427 Alpha virt. eigenvalues -- 3.16922 3.21138 3.23009 3.25718 3.32028 Alpha virt. eigenvalues -- 3.35032 3.38320 3.44249 3.54042 3.59080 Alpha virt. eigenvalues -- 3.62742 3.76709 3.91423 4.22945 4.38225 Alpha virt. eigenvalues -- 4.44743 4.48658 4.51866 4.57376 4.60929 Alpha virt. eigenvalues -- 4.65182 4.67713 4.70297 4.73097 4.74662 Alpha virt. eigenvalues -- 4.79991 4.90977 4.96839 4.98704 5.10995 Alpha virt. eigenvalues -- 5.32779 9.30632 75.40842 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.596041 0.372465 0.252668 0.000006 0.000000 0.000018 2 C 0.372465 5.182437 -0.057225 0.000000 -0.000000 0.000001 3 O 0.252668 -0.057225 8.384403 -0.000000 -0.000000 -0.000001 4 N 0.000006 0.000000 -0.000000 7.055303 -0.000052 0.000427 5 O 0.000000 -0.000000 -0.000000 -0.000052 8.096587 0.667621 6 C 0.000018 0.000001 -0.000001 0.000427 0.667621 4.008737 7 C 0.004821 -0.000308 -0.000175 0.000024 -0.084985 0.357972 8 N 0.001938 -0.000062 0.000023 0.000002 0.000675 -0.032159 9 C -0.018255 -0.002067 0.000665 0.000003 0.000059 0.002897 10 N 0.144628 -0.071695 -0.065016 -0.000105 -0.000037 0.002899 11 C -0.025230 0.001845 0.002355 0.000439 0.002918 -0.057597 12 N -0.004857 0.000225 0.000017 -0.100501 0.000046 -0.005369 13 C 0.000161 -0.000006 -0.000002 0.449480 0.002020 -0.021599 14 N 0.000002 -0.000000 -0.000000 -0.097362 -0.097806 0.247435 15 H 0.436552 -0.048602 -0.036934 -0.000053 0.000000 -0.000010 16 H -0.038352 0.388173 0.001578 0.000000 0.000000 -0.000000 17 H -0.033695 0.377726 0.003170 -0.000000 0.000000 0.000001 18 C -0.000013 0.000000 0.000000 0.550789 0.000001 -0.000008 19 Br 0.004766 -0.009861 -0.005471 -0.000000 -0.000001 -0.000038 20 H -0.000000 0.000000 0.000000 0.004898 0.005570 -0.008419 21 H -0.026225 0.382078 -0.000869 0.000000 -0.000000 -0.000000 22 H -0.019398 -0.004987 0.255410 0.000000 0.000000 -0.000000 23 N 0.000000 -0.000000 -0.000000 -0.082761 -0.000000 0.000000 24 H -0.000012 -0.000002 -0.000000 -0.045193 0.000000 0.000014 25 C -0.000000 0.000000 0.000000 -0.006201 -0.000000 -0.000000 26 C -0.000000 0.000000 0.000000 0.001999 0.000000 -0.000000 27 H -0.000000 0.000000 -0.000000 0.000450 -0.000000 0.000000 28 H -0.000000 0.000000 0.000000 0.008528 0.000000 -0.000000 29 H 0.000000 -0.000000 0.000000 0.000614 -0.000000 -0.000000 30 H -0.000000 0.000000 -0.000000 -0.000018 -0.000000 0.000000 31 H 0.000000 -0.000000 0.000000 0.000011 -0.000000 -0.000000 32 H -0.000000 0.000000 -0.000000 0.000231 -0.000000 0.000000 7 8 9 10 11 12 1 C 0.004821 0.001938 -0.018255 0.144628 -0.025230 -0.004857 2 C -0.000308 -0.000062 -0.002067 -0.071695 0.001845 0.000225 3 O -0.000175 0.000023 0.000665 -0.065016 0.002355 0.000017 4 N 0.000024 0.000002 0.000003 -0.000105 0.000439 -0.100501 5 O -0.084985 0.000675 0.000059 -0.000037 0.002918 0.000046 6 C 0.357972 -0.032159 0.002897 0.002899 -0.057597 -0.005369 7 C 5.256735 0.390941 -0.126009 -0.083704 0.526636 -0.068456 8 N 0.390941 6.804648 0.578782 -0.090432 -0.092767 0.006321 9 C -0.126009 0.578782 4.475105 0.327982 -0.091794 0.002053 10 N -0.083704 -0.090432 0.327982 7.492557 0.300137 -0.060981 11 C 0.526636 -0.092767 -0.091794 0.300137 4.414695 0.389194 12 N -0.068456 0.006321 0.002053 -0.060981 0.389194 7.162582 13 C -0.009068 0.000326 0.000249 -0.000926 -0.060313 0.531939 14 N -0.136853 0.002001 -0.000295 0.000174 -0.008875 -0.099587 15 H 0.000624 -0.000211 0.001805 -0.048797 -0.003792 0.006146 16 H -0.000000 0.000001 0.000002 0.004934 -0.000027 0.000011 17 H 0.000061 -0.000026 0.000092 0.001459 -0.000013 0.000259 18 C 0.000058 0.000000 0.000000 -0.000003 0.000803 -0.016007 19 Br 0.004667 -0.061935 0.319016 -0.071387 0.004579 -0.000038 20 H 0.006062 -0.000034 0.000005 0.000017 -0.000315 0.003709 21 H 0.000025 -0.000032 0.000133 -0.003493 -0.000126 -0.000020 22 H 0.000009 0.000022 0.000040 -0.001888 -0.000326 -0.000016 23 N 0.000000 0.000000 0.000000 -0.000000 -0.000017 -0.000150 24 H 0.000037 -0.000000 -0.000001 -0.000027 0.000340 0.023316 25 C -0.000000 0.000000 0.000000 0.000000 0.000001 -0.000007 26 C 0.000000 -0.000000 0.000000 0.000000 0.000000 0.000010 27 H -0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 28 H -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000022 29 H 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 30 H 0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 31 H 0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000001 32 H -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000028 13 14 15 16 17 18 1 C 0.000161 0.000002 0.436552 -0.038352 -0.033695 -0.000013 2 C -0.000006 -0.000000 -0.048602 0.388173 0.377726 0.000000 3 O -0.000002 -0.000000 -0.036934 0.001578 0.003170 0.000000 4 N 0.449480 -0.097362 -0.000053 0.000000 -0.000000 0.550789 5 O 0.002020 -0.097806 0.000000 0.000000 0.000000 0.000001 6 C -0.021599 0.247435 -0.000010 -0.000000 0.000001 -0.000008 7 C -0.009068 -0.136853 0.000624 -0.000000 0.000061 0.000058 8 N 0.000326 0.002001 -0.000211 0.000001 -0.000026 0.000000 9 C 0.000249 -0.000295 0.001805 0.000002 0.000092 0.000000 10 N -0.000926 0.000174 -0.048797 0.004934 0.001459 -0.000003 11 C -0.060313 -0.008875 -0.003792 -0.000027 -0.000013 0.000803 12 N 0.531939 -0.099587 0.006146 0.000011 0.000259 -0.016007 13 C 3.924203 0.311377 -0.000061 0.000000 0.000004 -0.050950 14 N 0.311377 7.505032 0.000026 0.000000 -0.000000 0.004053 15 H -0.000061 0.000026 0.463447 -0.002476 -0.000959 -0.000059 16 H 0.000000 0.000000 -0.002476 0.506633 -0.021686 -0.000000 17 H 0.000004 -0.000000 -0.000959 -0.021686 0.514625 -0.000000 18 C -0.050950 0.004053 -0.000059 -0.000000 -0.000000 4.392286 19 Br 0.000003 0.000001 0.000005 0.000186 0.000255 -0.000000 20 H -0.014198 0.298680 -0.000000 -0.000000 -0.000000 -0.000251 21 H -0.000000 -0.000000 0.003365 -0.023652 -0.023018 -0.000000 22 H 0.000000 -0.000000 0.004464 -0.000139 0.000042 -0.000000 23 N 0.000273 -0.000009 -0.000001 0.000000 0.000000 0.344679 24 H -0.008108 -0.000012 0.000389 0.000000 0.000001 0.395476 25 C 0.000470 -0.000011 0.000000 0.000000 -0.000000 -0.033002 26 C -0.000035 0.000001 0.000000 0.000000 0.000000 -0.041080 27 H -0.000001 -0.000000 0.000000 0.000000 -0.000000 0.002007 28 H 0.000314 -0.000084 0.000000 -0.000000 -0.000000 -0.005651 29 H -0.000011 -0.000001 -0.000000 -0.000000 0.000000 0.000450 30 H 0.000002 -0.000000 -0.000000 0.000000 -0.000000 0.001574 31 H 0.000002 -0.000000 -0.000000 -0.000000 0.000000 0.000601 32 H 0.000007 -0.000000 -0.000000 -0.000000 -0.000000 -0.000295 19 20 21 22 23 24 1 C 0.004766 -0.000000 -0.026225 -0.019398 0.000000 -0.000012 2 C -0.009861 0.000000 0.382078 -0.004987 -0.000000 -0.000002 3 O -0.005471 0.000000 -0.000869 0.255410 -0.000000 -0.000000 4 N -0.000000 0.004898 0.000000 0.000000 -0.082761 -0.045193 5 O -0.000001 0.005570 -0.000000 0.000000 -0.000000 0.000000 6 C -0.000038 -0.008419 -0.000000 -0.000000 0.000000 0.000014 7 C 0.004667 0.006062 0.000025 0.000009 0.000000 0.000037 8 N -0.061935 -0.000034 -0.000032 0.000022 0.000000 -0.000000 9 C 0.319016 0.000005 0.000133 0.000040 0.000000 -0.000001 10 N -0.071387 0.000017 -0.003493 -0.001888 -0.000000 -0.000027 11 C 0.004579 -0.000315 -0.000126 -0.000326 -0.000017 0.000340 12 N -0.000038 0.003709 -0.000020 -0.000016 -0.000150 0.023316 13 C 0.000003 -0.014198 -0.000000 0.000000 0.000273 -0.008108 14 N 0.000001 0.298680 -0.000000 -0.000000 -0.000009 -0.000012 15 H 0.000005 -0.000000 0.003365 0.004464 -0.000001 0.000389 16 H 0.000186 -0.000000 -0.023652 -0.000139 0.000000 0.000000 17 H 0.000255 -0.000000 -0.023018 0.000042 0.000000 0.000001 18 C -0.000000 -0.000251 -0.000000 -0.000000 0.344679 0.395476 19 Br 34.883087 -0.000000 0.002801 0.014357 -0.000000 -0.000000 20 H -0.000000 0.283728 0.000000 0.000000 -0.000044 0.000044 21 H 0.002801 0.000000 0.501692 0.002157 -0.000000 0.000000 22 H 0.014357 0.000000 0.002157 0.289990 -0.000000 0.000000 23 N -0.000000 -0.000044 -0.000000 -0.000000 7.222602 -0.065028 24 H -0.000000 0.000044 0.000000 0.000000 -0.065028 0.450410 25 C 0.000000 -0.000007 0.000000 0.000000 0.210830 0.002617 26 C 0.000000 0.000000 -0.000000 -0.000000 0.239939 -0.001542 27 H 0.000000 -0.000000 0.000000 -0.000000 -0.046785 -0.000043 28 H 0.000000 0.000075 0.000000 -0.000000 -0.028165 0.000249 29 H 0.000000 0.000000 -0.000000 0.000000 -0.048015 -0.000070 30 H 0.000000 -0.000000 0.000000 -0.000000 -0.049131 0.000001 31 H 0.000000 -0.000000 -0.000000 0.000000 -0.049508 -0.000022 32 H 0.000000 0.000000 0.000000 0.000000 -0.036496 0.002248 25 26 27 28 29 30 1 C -0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 2 C 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 3 O 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 4 N -0.006201 0.001999 0.000450 0.008528 0.000614 -0.000018 5 O -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000000 6 C -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 7 C -0.000000 0.000000 -0.000000 -0.000000 0.000000 0.000000 8 N 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 9 C 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 10 N 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 11 C 0.000001 0.000000 -0.000000 0.000000 -0.000000 0.000000 12 N -0.000007 0.000010 0.000000 0.000022 0.000000 -0.000000 13 C 0.000470 -0.000035 -0.000001 0.000314 -0.000011 0.000002 14 N -0.000011 0.000001 -0.000000 -0.000084 -0.000001 -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 H -0.000000 0.000000 -0.000000 -0.000000 0.000000 -0.000000 18 C -0.033002 -0.041080 0.002007 -0.005651 0.000450 0.001574 19 Br 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 H -0.000007 0.000000 -0.000000 0.000075 0.000000 -0.000000 21 H 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 22 H 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 23 N 0.210830 0.239939 -0.046785 -0.028165 -0.048015 -0.049131 24 H 0.002617 -0.001542 -0.000043 0.000249 -0.000070 0.000001 25 C 4.968553 -0.046555 0.400340 0.397661 0.401301 -0.001458 26 C -0.046555 4.937229 -0.002673 0.002960 -0.001544 0.400603 27 H 0.400340 -0.002673 0.524064 -0.021073 -0.037833 0.003965 28 H 0.397661 0.002960 -0.021073 0.426562 -0.021915 -0.000000 29 H 0.401301 -0.001544 -0.037833 -0.021915 0.523748 -0.000921 30 H -0.001458 0.400603 0.003965 -0.000000 -0.000921 0.521828 31 H -0.000644 0.399995 -0.001089 -0.000061 0.003828 -0.039773 32 H 0.003341 0.399589 -0.000007 -0.000092 -0.000069 -0.023934 31 32 1 C 0.000000 -0.000000 2 C -0.000000 0.000000 3 O 0.000000 -0.000000 4 N 0.000011 0.000231 5 O -0.000000 -0.000000 6 C -0.000000 0.000000 7 C 0.000000 -0.000000 8 N 0.000000 0.000000 9 C -0.000000 0.000000 10 N 0.000000 0.000000 11 C -0.000000 -0.000000 12 N -0.000001 -0.000028 13 C 0.000002 0.000007 14 N -0.000000 -0.000000 15 H -0.000000 -0.000000 16 H -0.000000 -0.000000 17 H 0.000000 -0.000000 18 C 0.000601 -0.000295 19 Br 0.000000 0.000000 20 H -0.000000 0.000000 21 H -0.000000 0.000000 22 H 0.000000 0.000000 23 N -0.049508 -0.036496 24 H -0.000022 0.002248 25 C -0.000644 0.003341 26 C 0.399995 0.399589 27 H -0.001089 -0.000007 28 H -0.000061 -0.000092 29 H 0.003828 -0.000069 30 H -0.039773 -0.023934 31 H 0.523854 -0.024554 32 H -0.024554 0.489105 Mulliken charges: 1 1 C 0.351971 2 C -0.510137 3 O -0.734596 4 N -0.740957 5 O -0.592616 6 C 0.837178 7 C -0.039112 8 N -0.508021 9 C 0.529532 10 N -0.776297 11 C 0.697249 12 N -0.769829 13 C 0.944450 14 N -0.927886 15 H 0.225131 16 H 0.184814 17 H 0.181704 18 C 0.454542 19 Br -0.084992 20 H 0.420480 21 H 0.185186 22 H 0.460263 23 N -0.612213 24 H 0.244917 25 C -0.297227 26 C -0.288896 27 H 0.178679 28 H 0.240671 29 H 0.180436 30 H 0.187263 31 H 0.187361 32 H 0.190955 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.577102 2 C 0.041567 3 O -0.274333 4 N -0.740957 5 O -0.592616 6 C 0.837178 7 C -0.039112 8 N -0.508021 9 C 0.529532 10 N -0.776297 11 C 0.697249 12 N -0.769829 13 C 0.944450 14 N -0.507406 18 C 0.699459 19 Br -0.084992 23 N -0.612213 25 C 0.302558 26 C 0.276683 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147209651 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 38.93 SMaxX= 20.52 Shift= 7.758554 6.793022 2.126943 Box 1 Number 0 centers from 1 to 110: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.89D+01 RnKept= 2.06D+01 NSMCal= 6105 NSMKep= 4659 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 46. PRISM was handed 2146787002 working-precision words and 4659 shell-pairs IPart= 0 NShTot= 4659 NBatch= 109 AvBLen= 42.7 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 47. Electronic moments (au): -166.00000000 2.84828838 -3.14200794 0.42813222 -6388.28359146 -1720.58162603 -213.55668772 0.06970311 -1.77914241 -2.41347843 -17298.10187877 -1811.93806290 -112.67346684 -1080.71718996 6114.75348141 438.08825088 160.78736089 533.70780036 -96.53943511 -276.39727537 -519440.13423428 -52808.89022147 -1532.74681259 43911.34344943 56.97747105 -1393.34826648 393.49794143 416.10472753 501.21907397 -36423.40418363 -6726.49556310 -3632.14745526 -2055.58637866 1159.93929834 -1330.45918877 Electronic spatial extent (au): = 8322.4219 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 166.00000000 -0.00000000 0.00000000 0.00000000 6328.05521222 1616.51311129 120.74100355 0.00000000 -0.00000000 -0.00000000 17424.74489901 1652.55839301 108.50805536 1090.09107920 -6225.42670209 -451.48825238 -211.12582139 -530.98941831 107.11869539 285.76847965 503621.41140441 45972.82177021 803.08484138 -44221.56257563 12.98031658 1510.44008763 -440.50317508 -385.28193859 -490.74479453 32554.74727138 3273.04991214 2517.01718847 2122.08912157 -1187.82979275 1340.94168243 Total moments (au): 0.00000000 2.84828838 -3.14200794 0.42813222 -60.22837924 -104.06851474 -92.81568417 0.06970311 -1.77914241 -2.41347843 126.64302024 -159.37966989 -4.16541149 9.37388924 -110.67322068 -13.40000150 -50.33846049 2.71838204 10.57926028 9.37120428 -15818.72282988 -6836.06845125 -729.66197121 -310.21912620 69.95778763 117.09182115 -47.00523365 30.82278894 10.47427944 -3868.65691224 -3453.44565096 -1115.13026680 66.50274291 -27.89049440 10.48249366 Traceless Quadrup. (au): 25.47581348 -18.36432202 -7.11149146 0.06970311 -1.77914241 -2.41347843 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 7.2396 Y= -7.9862 Z= 1.0882 Tot= 10.8340 Quadrupole moment (field-independent basis, Debye-Ang): XX= -81.0092 YY= -139.9757 ZZ= -124.8403 XY= 0.0938 XZ= -2.3930 YZ= -3.2462 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 34.2658 YY= -24.7006 ZZ= -9.5652 XY= 0.0938 XZ= -2.3930 YZ= -3.2462 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 90.1396 YYY= -113.4403 ZZZ= -2.9648 XYY= 6.6720 XXY= -78.7729 XXZ= -9.5376 XZZ= -35.8290 YZZ= 1.9348 YYZ= 7.5299 XYZ= 6.6701 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -5958.0896 YYYY= -2574.7912 ZZZZ= -274.8257 XXXY= -116.8434 XXXZ= 26.3495 YYYX= 44.1024 YYYZ= -17.7044 ZZZX= 11.6093 ZZZY= 3.9451 XXYY= -1457.1217 XXZZ= -1300.7332 YYZZ= -420.0115 XXYZ= 25.0481 YYXZ= -10.5049 ZZXY= 3.9482 N-N= 1.840165597272D+03 E-N=-1.183533912591D+04 KE= 3.419752291941D+03 Entering OneElI... OneElI was handed 2147261794 working-precision words. Calculate electrostatic properties NBasis = 326 MinDer = 0 MaxDer = 0 NGrid = 32 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 32.44 SMaxX= 20.52 Shift= 7.758554 6.793022 2.126943 Box 1 Number 0 centers from 1 to 110: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.24D+01 RnKept= 1.93D+01 NSMCal= 6105 NSMKep= 3898 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 103. PRISM was handed 178800220 working-precision words and 3898 shell-pairs PRISM was handed 178800220 working-precision words and 3898 shell-pairs PRISM was handed 178800220 working-precision words and 3898 shell-pairs PRISM was handed 178800220 working-precision words and 3898 shell-pairs PRISM was handed 178800220 working-precision words and 3898 shell-pairs PRISM was handed 178800220 working-precision words and 3898 shell-pairs PRISM was handed 178800220 working-precision words and 3898 shell-pairs PRISM was handed 178800220 working-precision words and 3898 shell-pairs PRISM was handed 178800220 working-precision words and 3898 shell-pairs PRISM was handed 178800220 working-precision words and 3898 shell-pairs PRISM was handed 178800220 working-precision words and 3898 shell-pairs PRISM was handed 178800220 working-precision words and 3898 shell-pairs IPart= 7 NShTot= 9920 NBatch= 310 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 1 NShTot= 11360 NBatch= 355 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 6 NShTot= 10016 NBatch= 313 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 8 NShTot= 9792 NBatch= 306 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 9 NShTot= 9760 NBatch= 305 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 11 NShTot= 9504 NBatch= 297 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 0 NShTot= 12160 NBatch= 380 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 3 NShTot= 10656 NBatch= 333 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 5 NShTot= 10336 NBatch= 323 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 2 NShTot= 11040 NBatch= 345 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 10 NShTot= 9696 NBatch= 303 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 4 NShTot= 10496 NBatch= 328 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 1237. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.267481 -0.291806 0.024324 2 Atom 0.020190 0.013817 -0.034007 3 Atom -1.256815 1.290923 -0.034108 4 Atom -0.211256 0.253150 -0.041894 5 Atom 1.564911 -0.856365 -0.708546 6 Atom 0.085190 0.384830 -0.470020 7 Atom -0.114523 0.064092 0.050431 8 Atom 0.046184 0.501015 -0.547200 9 Atom -0.222895 0.199558 0.023338 10 Atom -0.437029 -0.332143 0.769172 11 Atom 0.047938 0.240651 -0.288589 12 Atom -0.592140 0.595790 -0.003650 13 Atom 0.297524 0.154819 -0.452344 14 Atom -0.314858 -0.431243 0.746100 15 Atom -0.268695 0.116166 0.152529 16 Atom 0.157396 -0.311298 0.153903 17 Atom 0.015644 0.104045 -0.119689 18 Atom 0.188907 0.362399 -0.551306 19 Atom -6.091551 2.582378 3.509173 20 Atom -0.158689 -0.086383 0.245072 21 Atom -0.271329 0.130988 0.140341 22 Atom -0.491030 0.258584 0.232446 23 Atom -0.457837 -0.436461 0.894298 24 Atom -0.023893 -0.126807 0.150700 25 Atom -0.099584 -0.015668 0.115252 26 Atom 0.113988 -0.251414 0.137426 27 Atom -0.011265 0.115085 -0.103820 28 Atom 0.080588 -0.228399 0.147811 29 Atom 0.015239 0.151504 -0.166743 30 Atom 0.026932 0.099515 -0.126447 31 Atom 0.014906 0.138951 -0.153856 32 Atom -0.147034 -0.019426 0.166460 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.057449 -0.213777 -0.116410 2 Atom -0.014989 0.021773 0.033947 3 Atom -0.130079 -0.844149 -0.942770 4 Atom 0.652365 0.050146 0.040752 5 Atom 0.328672 0.027011 0.003141 6 Atom 0.128116 0.006728 0.002477 7 Atom 0.021093 -0.001943 0.000221 8 Atom -0.651991 0.016340 -0.015574 9 Atom 0.032385 -0.004919 -0.003172 10 Atom 0.048361 -0.002657 0.024145 11 Atom -0.144532 0.010934 0.003072 12 Atom -0.294330 -0.002123 -0.010973 13 Atom 0.072924 -0.005237 0.000655 14 Atom 0.017453 -0.008278 0.003410 15 Atom 0.108686 0.043784 -0.014618 16 Atom 0.035150 0.005304 -0.012274 17 Atom -0.092788 -0.195296 -0.119680 18 Atom 0.034294 0.036669 0.118602 19 Atom -2.865801 -0.300373 -0.159420 20 Atom -0.300761 -0.002304 -0.001517 21 Atom 0.111491 0.072316 -0.012740 22 Atom 0.100092 0.049421 -0.034737 23 Atom 0.018368 -0.056154 -0.190102 24 Atom -0.213314 -0.034744 -0.043147 25 Atom -0.256232 -0.045994 -0.021516 26 Atom 0.107792 0.015187 -0.054326 27 Atom 0.065186 -0.213413 0.098152 28 Atom 0.156886 0.035906 -0.085926 29 Atom -0.024179 0.211554 0.015569 30 Atom 0.079777 -0.198666 0.107259 31 Atom 0.022795 0.217249 -0.030370 32 Atom -0.214598 -0.035204 -0.029924 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.6720 3.227 1.152 1.077 0.8175 -0.5752 -0.0279 4 N(14) Bbb -0.0465 0.223 0.080 0.074 -0.0242 -0.0827 0.9963 Bcc 0.7185 -3.451 -1.231 -1.151 0.5754 0.8138 0.0816 Baa -0.5477 2.630 0.939 0.877 -0.0353 -0.0071 0.9994 8 N(14) Bbb -0.4168 2.002 0.714 0.668 0.8145 0.5792 0.0329 Bcc 0.9644 -4.632 -1.653 -1.545 -0.5791 0.8152 -0.0147 Baa -0.4560 2.190 0.782 0.731 0.9309 -0.3652 0.0092 10 N(14) Bbb -0.3137 1.506 0.538 0.503 0.3653 0.9307 -0.0199 Bcc 0.7697 -3.697 -1.319 -1.233 -0.0013 0.0218 0.9998 Baa -0.6611 3.175 1.133 1.059 0.9736 0.2281 0.0069 12 N(14) Bbb -0.0038 0.018 0.006 0.006 -0.0102 0.0133 0.9999 Bcc 0.6649 -3.193 -1.139 -1.065 -0.2279 0.9736 -0.0153 Baa -0.4338 2.084 0.743 0.695 -0.1454 0.9894 -0.0039 14 N(14) Bbb -0.3124 1.500 0.535 0.500 0.9893 0.1454 0.0073 Bcc 0.7462 -3.584 -1.279 -1.195 -0.0078 0.0028 1.0000 Baa -6.9635 512.122 182.738 170.826 0.9571 0.2879 0.0318 19 Br(79) Bbb 3.4054 -250.447 -89.366 -83.540 -0.2646 0.8243 0.5005 Bcc 3.5581 -261.676 -93.372 -87.286 0.1178 -0.4875 0.8651 Baa -0.4722 2.268 0.809 0.756 -0.6577 0.7493 0.0772 23 N(14) Bbb -0.4512 2.167 0.773 0.723 0.7521 0.6475 0.1229 Bcc 0.9234 -4.435 -1.582 -1.479 -0.0421 -0.1389 0.9894 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri May 3 20:31:49 2024, MaxMem= 2147483648 cpu: 3.8 elap: 0.3 FitSet: NAtFit= 32 NAtPot= 32 NAtFrz= 0 MDM= 36 TotChg= 0.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 6 1.50 3 8 1.40 4 7 1.50 5 8 1.40 6 6 1.50 7 6 1.50 8 7 1.50 9 6 1.50 10 7 1.50 11 6 1.50 12 7 1.50 13 6 1.50 14 7 1.50 15 1 1.20 16 1 1.20 17 1 1.20 18 6 1.50 19 35 2.30 20 1 1.20 21 1 1.20 22 1 1.20 23 7 1.50 24 1 1.20 25 6 1.50 26 6 1.50 27 1 1.20 28 1 1.20 29 1 1.20 30 1 1.20 31 1 1.20 32 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= 0.200 ********************************************************************** Electrostatic Properties Using The SCF Density ********************************************************************** Atomic Center 1 is at -1.258177 -1.941500 0.002874 Atomic Center 2 is at -1.772570 -2.514245 1.316550 Atomic Center 3 is at -1.902791 -2.459173 -1.107101 Atomic Center 4 is at 3.349345 0.639021 0.048648 Atomic Center 5 is at 0.189800 3.864325 0.017100 Atomic Center 6 is at 0.350646 2.680789 0.017772 Atomic Center 7 is at -0.608505 1.608443 0.005820 Atomic Center 8 is at -1.984361 1.637768 -0.014533 Atomic Center 9 is at -2.320863 0.414383 -0.013081 Atomic Center 10 is at -1.270445 -0.473308 0.006790 Atomic Center 11 is at -0.159659 0.318728 0.012536 Atomic Center 12 is at 1.117213 -0.125537 0.034832 Atomic Center 13 is at 1.993345 0.830211 0.035929 Atomic Center 14 is at 1.648816 2.142575 0.032047 Atomic Center 15 is at -0.219517 -2.194051 -0.116589 Atomic Center 16 is at -1.693454 -3.594712 1.284483 Atomic Center 17 is at -1.178564 -2.143511 2.143865 Atomic Center 18 is at 3.768125 -0.569285 -0.066552 Atomic Center 19 is at -4.105650 -0.153885 -0.062429 Atomic Center 20 is at 2.395459 2.804318 0.036037 Atomic Center 21 is at -2.806877 -2.247874 1.492729 Atomic Center 22 is at -2.839781 -2.329489 -1.038445 Atomic Center 23 is at 5.050599 -0.905540 -0.040722 Atomic Center 24 is at 3.083896 -1.391817 -0.193713 Atomic Center 25 is at 6.104865 0.078747 0.119100 Atomic Center 26 is at 5.471748 -2.277641 -0.232271 Atomic Center 27 is at 6.752517 -0.211912 0.938841 Atomic Center 28 is at 5.669674 1.040431 0.327799 Atomic Center 29 is at 6.698912 0.141003 -0.786927 Atomic Center 30 is at 6.055816 -2.614322 0.617228 Atomic Center 31 is at 6.081042 -2.367341 -1.125530 Atomic Center 32 is at 4.610662 -2.922585 -0.336257 ESP Fit Center 33 is at -0.454541 -3.881647 0.002874 ESP Fit Center 34 is at -0.542850 -3.872940 -0.406815 ESP Fit Center 35 is at -0.170264 -1.520040 -1.743212 ESP Fit Center 36 is at -2.468539 -2.112427 3.256697 ESP Fit Center 37 is at -2.576206 -2.514245 3.256697 ESP Fit Center 38 is at -2.468539 -2.916063 3.256697 ESP Fit Center 39 is at -2.174388 -3.210213 3.256697 ESP Fit Center 40 is at -1.772570 -3.317880 3.256697 ESP Fit Center 41 is at -2.475663 -1.583200 3.062636 ESP Fit Center 42 is at -2.764517 -3.128432 3.062636 ESP Fit Center 43 is at -2.475663 -3.445290 3.062636 ESP Fit Center 44 is at -2.091852 -3.636405 3.062636 ESP Fit Center 45 is at -1.664921 -3.675966 3.062636 ESP Fit Center 46 is at -1.252529 -3.558630 3.062636 ESP Fit Center 47 is at -2.389430 -1.163510 2.801474 ESP Fit Center 48 is at -3.021768 -3.317056 2.801474 ESP Fit Center 49 is at -2.744989 -3.636476 2.801474 ESP Fit Center 50 is at -2.389430 -3.864980 2.801474 ESP Fit Center 51 is at -3.079535 -3.672114 2.483248 ESP Fit Center 52 is at -0.465606 -3.672114 2.483248 ESP Fit Center 53 is at -3.181108 -3.848483 2.120185 ESP Fit Center 54 is at -0.228033 -3.688372 2.120185 ESP Fit Center 55 is at -3.335346 -3.855844 1.726240 ESP Fit Center 56 is at 0.120160 -3.326480 1.726240 ESP Fit Center 57 is at 0.167577 -3.317880 1.316550 ESP Fit Center 58 is at 0.287079 -2.923935 1.316550 ESP Fit Center 59 is at -3.335346 -3.855844 0.906860 ESP Fit Center 60 is at -3.434999 -3.514495 0.512915 ESP Fit Center 61 is at -3.181108 -3.848483 0.512915 ESP Fit Center 62 is at -3.079535 -3.672114 0.149853 ESP Fit Center 63 is at -2.984761 -3.767050 -0.127101 ESP Fit Center 64 is at -2.625513 -3.995035 -0.127101 ESP Fit Center 65 is at -3.065020 -3.916562 -0.501428 ESP Fit Center 66 is at -2.711581 -4.138643 -0.501428 ESP Fit Center 67 is at -2.317586 -4.276508 -0.501428 ESP Fit Center 68 is at -1.902791 -4.323244 -0.501428 ESP Fit Center 69 is at -1.487996 -4.276508 -0.501428 ESP Fit Center 70 is at -1.094001 -4.138643 -0.501428 ESP Fit Center 71 is at -0.740562 -3.916562 -0.501428 ESP Fit Center 72 is at -2.996692 -4.072556 -0.902225 ESP Fit Center 73 is at -2.624288 -4.269993 -0.902225 ESP Fit Center 74 is at -2.218147 -4.382757 -0.902225 ESP Fit Center 75 is at -1.797260 -4.405577 -0.902225 ESP Fit Center 76 is at -1.381308 -4.337385 -0.902225 ESP Fit Center 77 is at -0.989740 -4.181370 -0.902225 ESP Fit Center 78 is at -0.640865 -3.944827 -0.902225 ESP Fit Center 79 is at -2.996692 -4.072556 -1.311977 ESP Fit Center 80 is at -2.624288 -4.269993 -1.311977 ESP Fit Center 81 is at -2.218147 -4.382757 -1.311977 ESP Fit Center 82 is at -1.797260 -4.405577 -1.311977 ESP Fit Center 83 is at -1.381308 -4.337385 -1.311977 ESP Fit Center 84 is at -0.989740 -4.181370 -1.311977 ESP Fit Center 85 is at -0.640865 -3.944827 -1.311977 ESP Fit Center 86 is at -0.350996 -3.638817 -1.311977 ESP Fit Center 87 is at -3.065020 -3.916562 -1.712775 ESP Fit Center 88 is at -2.711581 -4.138643 -1.712775 ESP Fit Center 89 is at -2.317586 -4.276508 -1.712775 ESP Fit Center 90 is at -1.902791 -4.323244 -1.712775 ESP Fit Center 91 is at -1.487996 -4.276508 -1.712775 ESP Fit Center 92 is at -1.094001 -4.138643 -1.712775 ESP Fit Center 93 is at -0.740562 -3.916562 -1.712775 ESP Fit Center 94 is at -0.445402 -3.621402 -1.712775 ESP Fit Center 95 is at -0.223321 -3.267963 -1.712775 ESP Fit Center 96 is at -0.085456 -2.873968 -1.712775 ESP Fit Center 97 is at -0.205381 -2.459173 -2.087101 ESP Fit Center 98 is at -0.258709 -2.037044 -2.087101 ESP Fit Center 99 is at -0.415340 -1.641439 -2.087101 ESP Fit Center 100 is at -0.665433 -1.297216 -2.087101 ESP Fit Center 101 is at -0.993273 -1.026002 -2.087101 ESP Fit Center 102 is at -1.378263 -0.844840 -2.087101 ESP Fit Center 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is at -1.876712 2.799488 -1.760619 ESP Fit Center 516 is at -2.303643 2.759927 -1.760619 ESP Fit Center 517 is at -2.687453 2.568812 -1.760619 ESP Fit Center 518 is at -1.288392 2.039585 -1.954680 ESP Fit Center 519 is at -1.582543 2.333736 -1.954680 ESP Fit Center 520 is at -1.984361 2.441403 -1.954680 ESP Fit Center 521 is at -2.386179 2.333736 -1.954680 ESP Fit Center 522 is at -2.680329 2.039585 -1.954680 ESP Fit Center 523 is at -1.582543 0.941799 -1.954680 ESP Fit Center 524 is at -1.288392 1.235950 -1.954680 ESP Fit Center 525 is at -1.574671 1.637768 -2.074182 ESP Fit Center 526 is at -1.779516 1.992569 -2.074182 ESP Fit Center 527 is at -2.189206 1.992569 -2.074182 ESP Fit Center 528 is at -1.779516 1.282966 -2.074182 ESP Fit Center 529 is at -1.984361 1.637768 -2.114533 ESP Fit Center 530 is at -1.517227 0.414383 1.927066 ESP Fit Center 531 is at -1.624894 0.816201 1.927066 ESP Fit Center 532 is at -1.517227 0.414383 -1.953228 ESP Fit Center 533 is at -1.624894 0.816201 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552 is at -0.364504 0.673530 2.072185 ESP Fit Center 553 is at -0.569349 0.318728 2.072185 ESP Fit Center 554 is at -0.364504 -0.036073 2.072185 ESP Fit Center 555 is at 0.045186 -0.036073 2.072185 ESP Fit Center 556 is at 0.536310 0.720546 1.952683 ESP Fit Center 557 is at 0.242159 1.014697 1.952683 ESP Fit Center 558 is at -0.855628 0.720546 1.952683 ESP Fit Center 559 is at -0.963294 0.318728 1.952683 ESP Fit Center 560 is at -0.159659 -0.484907 1.952683 ESP Fit Center 561 is at 0.242159 -0.377240 1.952683 ESP Fit Center 562 is at 0.702541 1.104727 1.758623 ESP Fit Center 563 is at -0.052010 -0.842992 1.758623 ESP Fit Center 564 is at 0.702541 1.104727 -1.733550 ESP Fit Center 565 is at -0.052010 -0.842992 -1.733550 ESP Fit Center 566 is at 0.536310 0.720546 -1.927611 ESP Fit Center 567 is at 0.242159 1.014697 -1.927611 ESP Fit Center 568 is at -0.855628 0.720546 -1.927611 ESP Fit Center 569 is at -0.963294 0.318728 -1.927611 ESP Fit Center 570 is at -0.159659 -0.484907 -1.927611 ESP Fit Center 571 is at 0.242159 -0.377240 -1.927611 ESP Fit Center 572 is at 0.250031 0.318728 -2.047113 ESP Fit Center 573 is at 0.045186 0.673530 -2.047113 ESP Fit Center 574 is at -0.364504 0.673530 -2.047113 ESP Fit Center 575 is at -0.569349 0.318728 -2.047113 ESP Fit Center 576 is at -0.364504 -0.036073 -2.047113 ESP Fit Center 577 is at 0.045186 -0.036073 -2.047113 ESP Fit Center 578 is at -0.159659 0.318728 -2.087464 ESP Fit Center 579 is at 1.117213 -0.125537 2.134832 ESP Fit Center 580 is at 1.526902 -0.125537 2.094481 ESP Fit Center 581 is at 1.322057 0.229265 2.094481 ESP Fit Center 582 is at 0.912368 0.229265 2.094481 ESP Fit Center 583 is at 0.707523 -0.125537 2.094481 ESP Fit Center 584 is at 0.912368 -0.480339 2.094481 ESP Fit Center 585 is at 1.322057 -0.480339 2.094481 ESP Fit Center 586 is at 1.920848 -0.125537 1.974979 ESP Fit Center 587 is at 1.117213 0.678098 1.974979 ESP Fit Center 588 is at 0.715395 0.570431 1.974979 ESP Fit Center 589 is at 0.421244 -0.527355 1.974979 ESP Fit Center 590 is at 0.715395 -0.821506 1.974979 ESP Fit Center 591 is at 1.117213 -0.929172 1.974979 ESP Fit Center 592 is at 1.519030 -0.821506 1.974979 ESP Fit Center 593 is at 1.813181 -0.527355 1.974979 ESP Fit Center 594 is at 0.797931 0.996622 1.780918 ESP Fit Center 595 is at 0.414120 -1.056582 1.780918 ESP Fit Center 596 is at 0.797931 -1.247697 1.780918 ESP Fit Center 597 is at 1.224862 -1.287258 1.780918 ESP Fit Center 598 is at 1.637254 -1.169922 1.780918 ESP Fit Center 599 is at 1.979412 -0.911536 1.780918 ESP Fit Center 600 is at 2.205126 -0.546997 1.780918 ESP Fit Center 601 is at 0.144794 -1.247768 1.519756 ESP Fit Center 602 is at 0.500353 -1.476272 1.519756 ESP Fit Center 603 is at 0.905886 -1.595347 1.519756 ESP Fit Center 604 is at 1.328539 -1.595347 1.519756 ESP Fit Center 605 is at 1.734072 -1.476272 1.519756 ESP Fit Center 606 is at 2.089631 -1.247768 1.519756 ESP Fit Center 607 is at 2.366410 -0.928348 1.519756 ESP Fit Center 608 is at 0.906745 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627 is at 1.920848 -0.125537 -1.905315 ESP Fit Center 628 is at 1.117213 0.678098 -1.905315 ESP Fit Center 629 is at 0.715395 0.570431 -1.905315 ESP Fit Center 630 is at 0.421244 -0.527355 -1.905315 ESP Fit Center 631 is at 0.715395 -0.821506 -1.905315 ESP Fit Center 632 is at 1.117213 -0.929172 -1.905315 ESP Fit Center 633 is at 1.519030 -0.821506 -1.905315 ESP Fit Center 634 is at 1.813181 -0.527355 -1.905315 ESP Fit Center 635 is at 1.526902 -0.125537 -2.024817 ESP Fit Center 636 is at 1.322057 0.229265 -2.024817 ESP Fit Center 637 is at 0.912368 0.229265 -2.024817 ESP Fit Center 638 is at 0.707523 -0.125537 -2.024817 ESP Fit Center 639 is at 0.912368 -0.480339 -2.024817 ESP Fit Center 640 is at 1.322057 -0.480339 -2.024817 ESP Fit Center 641 is at 1.117213 -0.125537 -2.065168 ESP Fit Center 642 is at 1.993345 0.830211 2.135929 ESP Fit Center 643 is at 2.403034 0.830211 2.095578 ESP Fit Center 644 is at 2.198189 1.185012 2.095578 ESP Fit Center 645 is at 1.788500 1.185012 2.095578 ESP Fit Center 646 is at 1.583655 0.830211 2.095578 ESP Fit Center 647 is at 1.788500 0.475409 2.095578 ESP Fit Center 648 is at 2.198189 0.475409 2.095578 ESP Fit Center 649 is at 2.689313 1.232028 1.976076 ESP Fit Center 650 is at 2.395162 1.526179 1.976076 ESP Fit Center 651 is at 1.297376 1.232028 1.976076 ESP Fit Center 652 is at 1.189709 0.830211 1.976076 ESP Fit Center 653 is at 1.993345 0.026576 1.976076 ESP Fit Center 654 is at 2.395162 0.134242 1.976076 ESP Fit Center 655 is at 0.846512 1.044591 1.782015 ESP Fit Center 656 is at 2.513386 -0.214174 1.782015 ESP Fit Center 657 is at 0.846512 1.044591 -1.710157 ESP Fit Center 658 is at 2.689313 1.232028 -1.904218 ESP Fit Center 659 is at 2.395162 1.526179 -1.904218 ESP Fit Center 660 is at 1.297376 1.232028 -1.904218 ESP Fit Center 661 is at 1.189709 0.830211 -1.904218 ESP Fit Center 662 is at 1.993345 0.026576 -1.904218 ESP Fit Center 663 is at 2.395162 0.134242 -1.904218 ESP Fit Center 664 is at 2.403034 0.830211 -2.023720 ESP Fit Center 665 is at 2.198189 1.185012 -2.023720 ESP Fit Center 666 is at 1.788500 1.185012 -2.023720 ESP Fit Center 667 is at 1.583655 0.830211 -2.023720 ESP Fit Center 668 is at 1.788500 0.475409 -2.023720 ESP Fit Center 669 is at 2.198189 0.475409 -2.023720 ESP Fit Center 670 is at 1.993345 0.830211 -2.064071 ESP Fit Center 671 is at 1.648816 2.142575 2.132047 ESP Fit Center 672 is at 2.058506 2.142575 2.091696 ESP Fit Center 673 is at 1.853661 2.497377 2.091696 ESP Fit Center 674 is at 1.443971 2.497377 2.091696 ESP Fit Center 675 is at 1.239126 2.142575 2.091696 ESP Fit Center 676 is at 1.443971 1.787774 2.091696 ESP Fit Center 677 is at 1.853661 1.787774 2.091696 ESP Fit Center 678 is at 2.452451 2.142575 1.972194 ESP Fit Center 679 is at 2.344784 2.544393 1.972194 ESP Fit Center 680 is at 2.050634 2.838544 1.972194 ESP Fit Center 681 is at 1.648816 2.946210 1.972194 ESP Fit Center 682 is at 1.246998 2.838544 1.972194 ESP Fit Center 683 is at 0.952847 1.740758 1.972194 ESP Fit Center 684 is at 1.246998 1.446607 1.972194 ESP Fit Center 685 is at 2.344784 1.740758 1.972194 ESP Fit Center 686 is at 2.815513 2.142575 1.778133 ESP Fit Center 687 is at 2.736729 2.564035 1.778133 ESP Fit Center 688 is at 2.511016 2.928574 1.778133 ESP Fit Center 689 is at 2.168858 3.186960 1.778133 ESP Fit Center 690 is at 1.756465 3.304296 1.778133 ESP Fit Center 691 is at 0.656870 1.528388 1.778133 ESP Fit Center 692 is at 3.133740 2.142575 1.516971 ESP Fit Center 693 is at 1.860143 3.612385 1.516971 ESP Fit Center 694 is at 3.133740 2.142575 -1.452878 ESP Fit Center 695 is at 1.860143 3.612385 -1.452878 ESP Fit Center 696 is at 2.815513 2.142575 -1.714039 ESP Fit Center 697 is at 2.736729 2.564035 -1.714039 ESP Fit Center 698 is at 2.511016 2.928574 -1.714039 ESP Fit Center 699 is at 2.168858 3.186960 -1.714039 ESP Fit Center 700 is at 1.756465 3.304296 -1.714039 ESP Fit Center 701 is at 0.656870 1.528388 -1.714039 ESP Fit Center 702 is at 2.452451 2.142575 -1.908100 ESP Fit Center 703 is at 2.344784 2.544393 -1.908100 ESP Fit Center 704 is at 2.050634 2.838544 -1.908100 ESP Fit Center 705 is at 1.648816 2.946210 -1.908100 ESP Fit Center 706 is at 1.246998 2.838544 -1.908100 ESP Fit Center 707 is at 0.952847 1.740758 -1.908100 ESP Fit Center 708 is at 1.246998 1.446607 -1.908100 ESP Fit Center 709 is at 2.344784 1.740758 -1.908100 ESP Fit Center 710 is at 2.058506 2.142575 -2.027602 ESP Fit Center 711 is at 1.853661 2.497377 -2.027602 ESP Fit Center 712 is at 1.443971 2.497377 -2.027602 ESP Fit Center 713 is at 1.239126 2.142575 -2.027602 ESP Fit Center 714 is at 1.443971 1.787774 -2.027602 ESP Fit Center 715 is at 1.853661 1.787774 -2.027602 ESP Fit Center 716 is at 1.648816 2.142575 -2.067953 ESP Fit Center 717 is at 0.620483 -2.194051 1.338334 ESP Fit Center 718 is at 0.507944 -1.774051 1.338334 ESP Fit Center 719 is at 0.507944 -2.614051 1.338334 ESP Fit Center 720 is at 0.968422 -2.194051 1.071350 ESP Fit Center 721 is at 0.309993 -3.257451 1.071350 ESP Fit Center 722 is at 0.658381 -2.994361 1.071350 ESP Fit Center 723 is at 0.888203 -2.623184 1.071350 ESP Fit Center 724 is at 1.235406 -2.194051 0.723411 ESP Fit Center 725 is at 0.312026 -3.548400 0.723411 ESP Fit Center 726 is at 0.687612 -3.331555 0.723411 ESP Fit Center 727 is at 0.982597 -3.013638 0.723411 ESP Fit Center 728 is at 1.170768 -2.622897 0.723411 ESP Fit Center 729 is at 1.403238 -2.194051 0.318227 ESP Fit Center 730 is at -0.219517 -3.816806 0.318227 ESP Fit Center 731 is at 0.200483 -3.761512 0.318227 ESP Fit Center 732 is at 0.591861 -3.599398 0.318227 ESP Fit Center 733 is at 0.927944 -3.341512 0.318227 ESP Fit Center 734 is at 1.185830 -3.005429 0.318227 ESP Fit Center 735 is at 1.347944 -2.614051 0.318227 ESP Fit Center 736 is at 1.460483 -2.194051 -0.116589 ESP Fit Center 737 is at -0.114029 -3.870736 -0.116589 ESP Fit Center 738 is at 0.299632 -3.791826 -0.116589 ESP Fit Center 739 is at 0.680672 -3.612522 -0.116589 ESP Fit Center 740 is at 1.005150 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Fit Center 759 is at 0.309993 -3.257451 -1.304528 ESP Fit Center 760 is at 0.658381 -2.994361 -1.304528 ESP Fit Center 761 is at 0.888203 -2.623184 -1.304528 ESP Fit Center 762 is at 0.620483 -2.194051 -1.571512 ESP Fit Center 763 is at 0.507944 -1.774051 -1.571512 ESP Fit Center 764 is at 0.200483 -1.466590 -1.571512 ESP Fit Center 765 is at 0.200483 -2.921512 -1.571512 ESP Fit Center 766 is at 0.507944 -2.614051 -1.571512 ESP Fit Center 767 is at 0.215299 -2.194051 -1.739344 ESP Fit Center 768 is at -0.002109 -1.817489 -1.739344 ESP Fit Center 769 is at -0.002109 -2.570613 -1.739344 ESP Fit Center 770 is at -1.910862 -3.971274 2.907239 ESP Fit Center 771 is at -1.476046 -3.971274 2.907239 ESP Fit Center 772 is at -2.420915 -4.014712 2.739406 ESP Fit Center 773 is at -2.113454 -4.322174 2.739406 ESP Fit Center 774 is at -1.693454 -4.434712 2.739406 ESP Fit Center 775 is at -1.273454 -4.322174 2.739406 ESP Fit Center 776 is at -0.965993 -4.014712 2.739406 ESP Fit Center 777 is at 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ESP Fit Center 796 is at -2.504832 -5.000060 1.719299 ESP Fit Center 797 is at -2.113454 -5.162174 1.719299 ESP Fit Center 798 is at -1.693454 -5.217468 1.719299 ESP Fit Center 799 is at -1.273454 -5.162174 1.719299 ESP Fit Center 800 is at -0.882076 -5.000060 1.719299 ESP Fit Center 801 is at -0.545993 -4.742174 1.719299 ESP Fit Center 802 is at -0.288106 -4.406090 1.719299 ESP Fit Center 803 is at -0.125993 -4.014712 1.719299 ESP Fit Center 804 is at -3.255478 -4.213162 1.284483 ESP Fit Center 805 is at -3.052602 -4.582192 1.284483 ESP Fit Center 806 is at -2.764326 -4.889175 1.284483 ESP Fit Center 807 is at -2.408763 -5.114822 1.284483 ESP Fit Center 808 is at -2.008254 -5.244955 1.284483 ESP Fit Center 809 is at -1.587966 -5.271397 1.284483 ESP Fit Center 810 is at -1.174305 -5.192487 1.284483 ESP Fit Center 811 is at -0.793265 -5.013183 1.284483 ESP Fit Center 812 is at -0.468787 -4.744752 1.284483 ESP Fit Center 813 is at -0.221259 -4.404059 1.284483 ESP Fit Center 814 is at 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ESP Fit Center 833 is at -0.491340 -4.414300 0.444483 ESP Fit Center 834 is at -0.303169 -4.023558 0.444483 ESP Fit Center 835 is at -2.703460 -4.220082 0.096544 ESP Fit Center 836 is at -2.409347 -4.542709 0.096544 ESP Fit Center 837 is at -2.018549 -4.737303 0.096544 ESP Fit Center 838 is at -1.583845 -4.777584 0.096544 ESP Fit Center 839 is at -1.163944 -4.658112 0.096544 ESP Fit Center 840 is at -0.815556 -4.395022 0.096544 ESP Fit Center 841 is at -0.585733 -4.023846 0.096544 ESP Fit Center 842 is at -2.113454 -4.322174 -0.170439 ESP Fit Center 843 is at -1.693454 -4.434712 -0.170439 ESP Fit Center 844 is at -1.273454 -4.322174 -0.170439 ESP Fit Center 845 is at -0.965993 -4.014712 -0.170439 ESP Fit Center 846 is at -1.178564 -2.143511 3.823865 ESP Fit Center 847 is at -0.743748 -2.143511 3.766620 ESP Fit Center 848 is at -0.961156 -1.766949 3.766620 ESP Fit Center 849 is at -1.395972 -1.766949 3.766620 ESP Fit Center 850 is at -1.613380 -2.143511 3.766620 ESP Fit Center 851 is at 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ESP Fit Center 870 is at -1.503659 -1.000920 3.331804 ESP Fit Center 871 is at -1.894457 -1.195515 3.331804 ESP Fit Center 872 is at -2.188570 -1.518141 3.331804 ESP Fit Center 873 is at -2.346276 -1.925228 3.331804 ESP Fit Center 874 is at -2.346276 -2.361794 3.331804 ESP Fit Center 875 is at -1.503659 -3.286101 3.331804 ESP Fit Center 876 is at -1.068955 -3.326383 3.331804 ESP Fit Center 877 is at -0.649054 -3.206911 3.331804 ESP Fit Center 878 is at -0.300666 -2.943820 3.331804 ESP Fit Center 879 is at -0.070843 -2.572644 3.331804 ESP Fit Center 880 is at 0.276359 -2.143511 2.983865 ESP Fit Center 881 is at 0.211721 -1.714665 2.983865 ESP Fit Center 882 is at 0.023550 -1.323924 2.983865 ESP Fit Center 883 is at -0.271434 -1.006006 2.983865 ESP Fit Center 884 is at -0.647021 -0.789162 2.983865 ESP Fit Center 885 is at -1.069837 -0.692656 2.983865 ESP Fit Center 886 is at -1.502315 -0.725066 2.983865 ESP Fit Center 887 is at -1.906025 -0.883511 2.983865 ESP Fit Center 888 is at 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Fit Center 907 is at 0.501436 -2.143511 2.143865 ESP Fit Center 908 is at 0.448656 -1.725712 2.143865 ESP Fit Center 909 is at 0.293631 -1.334165 2.143865 ESP Fit Center 910 is at 0.046104 -0.993472 2.143865 ESP Fit Center 911 is at -0.278375 -0.725040 2.143865 ESP Fit Center 912 is at -0.659415 -0.545736 2.143865 ESP Fit Center 913 is at -1.073076 -0.466826 2.143865 ESP Fit Center 914 is at -1.493364 -0.493268 2.143865 ESP Fit Center 915 is at 0.046104 -3.293550 2.143865 ESP Fit Center 916 is at 0.293631 -2.952857 2.143865 ESP Fit Center 917 is at 0.448656 -2.561310 2.143865 ESP Fit Center 918 is at 0.444192 -2.143511 1.709049 ESP Fit Center 919 is at 0.388898 -1.723511 1.709049 ESP Fit Center 920 is at 0.226784 -1.332133 1.709049 ESP Fit Center 921 is at -0.031102 -0.996050 1.709049 ESP Fit Center 922 is at 0.388898 -2.563511 1.709049 ESP Fit Center 923 is at 3.768125 -0.569285 2.033448 ESP Fit Center 924 is at 4.177815 -0.569285 1.993098 ESP Fit Center 925 is at 3.972970 -0.214484 1.993098 ESP Fit Center 926 is at 3.563280 -0.214484 1.993098 ESP Fit Center 927 is at 3.358435 -0.569285 1.993098 ESP Fit Center 928 is at 3.563280 -0.924087 1.993098 ESP Fit Center 929 is at 3.972970 -0.924087 1.993098 ESP Fit Center 930 is at 4.464093 -0.167468 1.873596 ESP Fit Center 931 is at 2.964490 -0.569285 1.873596 ESP Fit Center 932 is at 3.072156 -0.971103 1.873596 ESP Fit Center 933 is at 3.366307 -1.265254 1.873596 ESP Fit Center 934 is at 3.768125 -1.372921 1.873596 ESP Fit Center 935 is at 4.169942 -1.265254 1.873596 ESP Fit Center 936 is at 2.621293 -0.783666 1.679535 ESP Fit Center 937 is at 2.776179 -1.183473 1.679535 ESP Fit Center 938 is at 3.065033 -1.500330 1.679535 ESP Fit Center 939 is at 3.448843 -1.691445 1.679535 ESP Fit Center 940 is at 3.875774 -1.731006 1.679535 ESP Fit Center 941 is at 2.518927 -1.372096 1.418373 ESP Fit Center 942 is at 3.151265 -1.920020 1.418373 ESP Fit Center 943 is at 3.556798 -2.039095 1.418373 ESP Fit Center 944 is at 3.979452 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963 is at 3.563280 -0.214484 -2.126201 ESP Fit Center 964 is at 3.358435 -0.569285 -2.126201 ESP Fit Center 965 is at 3.563280 -0.924087 -2.126201 ESP Fit Center 966 is at 3.972970 -0.924087 -2.126201 ESP Fit Center 967 is at 3.768125 -0.569285 -2.166552 ESP Fit Center 968 is at -4.105650 -0.153885 3.157571 ESP Fit Center 969 is at -3.685356 -0.153885 3.130023 ESP Fit Center 970 is at -3.895503 0.210100 3.130023 ESP Fit Center 971 is at -4.315797 0.210100 3.130023 ESP Fit Center 972 is at -4.525944 -0.153885 3.130023 ESP Fit Center 973 is at -4.315797 -0.517871 3.130023 ESP Fit Center 974 is at -3.895503 -0.517871 3.130023 ESP Fit Center 975 is at -3.272253 -0.153885 3.047852 ESP Fit Center 976 is at -3.383907 0.262813 3.047852 ESP Fit Center 977 is at -3.688951 0.567858 3.047852 ESP Fit Center 978 is at -4.105650 0.679512 3.047852 ESP Fit Center 979 is at -4.522349 0.567858 3.047852 ESP Fit Center 980 is at -4.827393 0.262813 3.047852 ESP Fit Center 981 is at -4.939047 -0.153885 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2.726173 ESP Fit Center 1019 is at -5.499951 -0.958885 2.726173 ESP Fit Center 1020 is at -5.244092 -1.292327 2.726173 ESP Fit Center 1021 is at -4.910650 -1.548186 2.726173 ESP Fit Center 1022 is at -4.522349 -1.709026 2.726173 ESP Fit Center 1023 is at -4.105650 -1.763885 2.726173 ESP Fit Center 1024 is at -2.711349 -0.958885 2.726173 ESP Fit Center 1025 is at -2.550509 -0.570584 2.726173 ESP Fit Center 1026 is at -2.145438 -0.153885 2.492169 ESP Fit Center 1027 is at -2.191267 0.267502 2.492169 ESP Fit Center 1028 is at -2.326610 0.669186 2.492169 ESP Fit Center 1029 is at -2.545139 1.032384 2.492169 ESP Fit Center 1030 is at -2.836636 1.340114 2.492169 ESP Fit Center 1031 is at -3.187470 1.577985 2.492169 ESP Fit Center 1032 is at -3.581238 1.734877 2.492169 ESP Fit Center 1033 is at -3.999526 1.803452 2.492169 ESP Fit Center 1034 is at -4.422777 1.780504 2.492169 ESP Fit Center 1035 is at -4.831199 1.667106 2.492169 ESP Fit Center 1036 is at -5.205696 1.468560 2.492169 ESP Fit Center 1037 is at -5.528755 1.194151 2.492169 ESP Fit Center 1038 is at -5.785272 0.856709 2.492169 ESP Fit Center 1039 is at -5.963251 0.472013 2.492169 ESP Fit Center 1040 is at -6.054371 0.058051 2.492169 ESP Fit Center 1041 is at -6.054371 -0.365822 2.492169 ESP Fit Center 1042 is at -5.963251 -0.779784 2.492169 ESP Fit Center 1043 is at -5.785272 -1.164480 2.492169 ESP Fit Center 1044 is at -5.528755 -1.501922 2.492169 ESP Fit Center 1045 is at -5.205696 -1.776331 2.492169 ESP Fit Center 1046 is at -4.831199 -1.974877 2.492169 ESP Fit Center 1047 is at -4.422777 -2.088274 2.492169 ESP Fit Center 1048 is at -2.191267 -0.575273 2.492169 ESP Fit Center 1049 is at -1.828766 -0.153885 2.214455 ESP Fit Center 1050 is at -1.867535 0.264491 2.214455 ESP Fit Center 1051 is at -1.982519 0.668620 2.214455 ESP Fit Center 1052 is at -2.169804 1.044739 2.214455 ESP Fit Center 1053 is at -2.423013 1.380041 2.214455 ESP Fit Center 1054 is at -2.733521 1.663107 2.214455 ESP Fit Center 1055 is at 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1364 is at -6.228781 -0.976391 -2.339313 ESP Fit Center 1365 is at -6.041496 -1.352510 -2.339313 ESP Fit Center 1366 is at -5.788288 -1.687812 -2.339313 ESP Fit Center 1367 is at -5.477779 -1.970878 -2.339313 ESP Fit Center 1368 is at -5.120545 -2.192068 -2.339313 ESP Fit Center 1369 is at -4.728749 -2.343851 -2.339313 ESP Fit Center 1370 is at -4.315734 -2.421056 -2.339313 ESP Fit Center 1371 is at -1.867535 -0.572262 -2.339313 ESP Fit Center 1372 is at -2.145438 -0.153885 -2.617027 ESP Fit Center 1373 is at -2.191267 0.267502 -2.617027 ESP Fit Center 1374 is at -2.326610 0.669186 -2.617027 ESP Fit Center 1375 is at -2.545139 1.032384 -2.617027 ESP Fit Center 1376 is at -2.836636 1.340114 -2.617027 ESP Fit Center 1377 is at -3.187470 1.577985 -2.617027 ESP Fit Center 1378 is at -3.581238 1.734877 -2.617027 ESP Fit Center 1379 is at -3.999526 1.803452 -2.617027 ESP Fit Center 1380 is at -4.422777 1.780504 -2.617027 ESP Fit Center 1381 is at -4.831199 1.667106 -2.617027 ESP Fit Center 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Center 1400 is at -2.550509 0.262813 -2.851031 ESP Fit Center 1401 is at -2.711349 0.651115 -2.851031 ESP Fit Center 1402 is at -2.967208 0.984557 -2.851031 ESP Fit Center 1403 is at -3.300650 1.240416 -2.851031 ESP Fit Center 1404 is at -3.688951 1.401255 -2.851031 ESP Fit Center 1405 is at -4.105650 1.456115 -2.851031 ESP Fit Center 1406 is at -4.522349 1.401255 -2.851031 ESP Fit Center 1407 is at -4.910650 1.240416 -2.851031 ESP Fit Center 1408 is at -5.244092 0.984557 -2.851031 ESP Fit Center 1409 is at -5.499951 0.651115 -2.851031 ESP Fit Center 1410 is at -5.660791 0.262813 -2.851031 ESP Fit Center 1411 is at -5.715650 -0.153885 -2.851031 ESP Fit Center 1412 is at -5.660791 -0.570584 -2.851031 ESP Fit Center 1413 is at -5.499951 -0.958885 -2.851031 ESP Fit Center 1414 is at -5.244092 -1.292327 -2.851031 ESP Fit Center 1415 is at -4.910650 -1.548186 -2.851031 ESP Fit Center 1416 is at -4.522349 -1.709026 -2.851031 ESP Fit Center 1417 is at -4.105650 -1.763885 -2.851031 ESP Fit Center 1418 is at -3.688951 -1.709026 -2.851031 ESP Fit Center 1419 is at -3.300650 -1.548186 -2.851031 ESP Fit Center 1420 is at -2.967208 -1.292327 -2.851031 ESP Fit Center 1421 is at -2.711349 -0.958885 -2.851031 ESP Fit Center 1422 is at -2.550509 -0.570584 -2.851031 ESP Fit Center 1423 is at -2.873409 -0.153885 -3.037321 ESP Fit Center 1424 is at -2.947723 0.267566 -3.037321 ESP Fit Center 1425 is at -3.161699 0.638184 -3.037321 ESP Fit Center 1426 is at -3.489530 0.913266 -3.037321 ESP Fit Center 1427 is at -3.891674 1.059635 -3.037321 ESP Fit Center 1428 is at -4.319626 1.059635 -3.037321 ESP Fit Center 1429 is at -4.721770 0.913266 -3.037321 ESP Fit Center 1430 is at -5.049601 0.638184 -3.037321 ESP Fit Center 1431 is at -5.263578 0.267566 -3.037321 ESP Fit Center 1432 is at -5.337891 -0.153885 -3.037321 ESP Fit Center 1433 is at -5.263578 -0.575337 -3.037321 ESP Fit Center 1434 is at -5.049601 -0.945954 -3.037321 ESP Fit Center 1435 is at -4.721770 -1.221037 -3.037321 ESP Fit Center 1436 is at -4.319626 -1.367406 -3.037321 ESP Fit Center 1437 is at -3.891674 -1.367406 -3.037321 ESP Fit Center 1438 is at -3.489530 -1.221037 -3.037321 ESP Fit Center 1439 is at -3.161699 -0.945954 -3.037321 ESP Fit Center 1440 is at -2.947723 -0.575337 -3.037321 ESP Fit Center 1441 is at -3.272253 -0.153885 -3.172710 ESP Fit Center 1442 is at -3.383907 0.262813 -3.172710 ESP Fit Center 1443 is at -3.688951 0.567858 -3.172710 ESP Fit Center 1444 is at -4.105650 0.679512 -3.172710 ESP Fit Center 1445 is at -4.522349 0.567858 -3.172710 ESP Fit Center 1446 is at -4.827393 0.262813 -3.172710 ESP Fit Center 1447 is at -4.939047 -0.153885 -3.172710 ESP Fit Center 1448 is at -4.827393 -0.570584 -3.172710 ESP Fit Center 1449 is at -4.522349 -0.875629 -3.172710 ESP Fit Center 1450 is at -4.105650 -0.987283 -3.172710 ESP Fit Center 1451 is at -3.688951 -0.875629 -3.172710 ESP Fit Center 1452 is at -3.383907 -0.570584 -3.172710 ESP Fit Center 1453 is at -3.685356 -0.153885 -3.254881 ESP Fit Center 1454 is at -3.895503 0.210100 -3.254881 ESP Fit Center 1455 is at -4.315797 0.210100 -3.254881 ESP Fit Center 1456 is at -4.525944 -0.153885 -3.254881 ESP Fit Center 1457 is at -4.315797 -0.517871 -3.254881 ESP Fit Center 1458 is at -3.895503 -0.517871 -3.254881 ESP Fit Center 1459 is at -4.105650 -0.153885 -3.282429 ESP Fit Center 1460 is at 2.830275 2.804318 1.658792 ESP Fit Center 1461 is at 2.612867 3.180879 1.658792 ESP Fit Center 1462 is at 3.235459 2.804318 1.490959 ESP Fit Center 1463 is at 3.122920 3.224318 1.490959 ESP Fit Center 1464 is at 2.815459 3.531779 1.490959 ESP Fit Center 1465 is at 2.395459 3.644318 1.490959 ESP Fit Center 1466 is at 3.583398 2.804318 1.223976 ESP Fit Center 1467 is at 3.503179 3.233451 1.223976 ESP Fit Center 1468 is at 3.273356 3.604627 1.223976 ESP Fit Center 1469 is at 2.924969 3.867717 1.223976 ESP Fit Center 1470 is at 2.505068 3.987189 1.223976 ESP Fit Center 1471 is at 2.070364 3.946908 1.223976 ESP Fit Center 1472 is at 3.503179 2.375184 1.223976 ESP Fit Center 1473 is at 3.850381 2.804318 0.876037 ESP Fit Center 1474 is at 3.785743 3.233164 0.876037 ESP Fit Center 1475 is at 3.597572 3.623905 0.876037 ESP Fit Center 1476 is at 3.302588 3.941822 0.876037 ESP Fit Center 1477 is at 2.927002 4.158667 0.876037 ESP Fit Center 1478 is at 2.504185 4.255172 0.876037 ESP Fit Center 1479 is at 2.071708 4.222762 0.876037 ESP Fit Center 1480 is at 4.018214 2.804318 0.470853 ESP Fit Center 1481 is at 3.962920 3.224318 0.470853 ESP Fit Center 1482 is at 3.800806 3.615695 0.470853 ESP Fit Center 1483 is at 3.542920 3.951779 0.470853 ESP Fit Center 1484 is at 3.206836 4.209665 0.470853 ESP Fit Center 1485 is at 2.815459 4.371779 0.470853 ESP Fit Center 1486 is at 2.395459 4.427073 0.470853 ESP Fit Center 1487 is at 4.075459 2.804318 0.036037 ESP Fit Center 1488 is at 4.022678 3.222117 0.036037 ESP Fit Center 1489 is at 3.867654 3.613664 0.036037 ESP Fit Center 1490 is at 3.620126 3.954357 0.036037 ESP Fit Center 1491 is at 3.295648 4.222789 0.036037 ESP Fit Center 1492 is at 2.914607 4.402093 0.036037 ESP Fit Center 1493 is at 2.500947 4.481003 0.036037 ESP Fit Center 1494 is at 2.080658 4.454560 0.036037 ESP Fit Center 1495 is at 4.018214 2.804318 -0.398779 ESP Fit Center 1496 is at 3.962920 3.224318 -0.398779 ESP Fit Center 1497 is at 3.800806 3.615695 -0.398779 ESP Fit Center 1498 is at 3.542920 3.951779 -0.398779 ESP Fit Center 1499 is at 3.206836 4.209665 -0.398779 ESP Fit Center 1500 is at 2.815459 4.371779 -0.398779 ESP Fit Center 1501 is at 2.395459 4.427073 -0.398779 ESP Fit Center 1502 is at 3.850381 2.804318 -0.803963 ESP Fit Center 1503 is at 3.785743 3.233164 -0.803963 ESP Fit Center 1504 is at 3.597572 3.623905 -0.803963 ESP Fit Center 1505 is at 3.302588 3.941822 -0.803963 ESP Fit Center 1506 is at 2.927002 4.158667 -0.803963 ESP Fit Center 1507 is at 2.504185 4.255172 -0.803963 ESP Fit Center 1508 is at 2.071708 4.222762 -0.803963 ESP Fit Center 1509 is at 3.583398 2.804318 -1.151903 ESP Fit Center 1510 is at 3.503179 3.233451 -1.151903 ESP Fit Center 1511 is at 3.273356 3.604627 -1.151903 ESP Fit Center 1512 is at 2.924969 3.867717 -1.151903 ESP Fit Center 1513 is at 2.505068 3.987189 -1.151903 ESP Fit Center 1514 is at 2.070364 3.946908 -1.151903 ESP Fit Center 1515 is at 3.503179 2.375184 -1.151903 ESP Fit Center 1516 is at 3.235459 2.804318 -1.418886 ESP Fit Center 1517 is at 3.122920 3.224318 -1.418886 ESP Fit Center 1518 is at 2.815459 3.531779 -1.418886 ESP Fit Center 1519 is at 2.395459 3.644318 -1.418886 ESP Fit Center 1520 is at 2.830275 2.804318 -1.586719 ESP Fit Center 1521 is at 2.612867 3.180879 -1.586719 ESP Fit Center 1522 is at -2.806877 -2.247874 3.172729 ESP Fit Center 1523 is at -3.024285 -1.871312 3.115484 ESP Fit Center 1524 is at -3.241693 -2.247874 3.115484 ESP Fit Center 1525 is at -3.024285 -2.624436 3.115484 ESP Fit Center 1526 is at -2.806877 -1.407874 2.947651 ESP Fit Center 1527 is at -3.226877 -1.520413 2.947651 ESP Fit Center 1528 is at -3.534339 -1.827874 2.947651 ESP Fit Center 1529 is at -3.646877 -2.247874 2.947651 ESP Fit Center 1530 is at -3.534339 -2.667874 2.947651 ESP Fit Center 1531 is at -3.226877 -2.975335 2.947651 ESP Fit Center 1532 is at -3.974590 -2.029591 2.680668 ESP Fit Center 1533 is at -3.974590 -2.466157 2.680668 ESP Fit Center 1534 is at -3.816884 -2.873244 2.680668 ESP Fit Center 1535 is at -3.522771 -3.195870 2.680668 ESP Fit Center 1536 is at -3.131972 -3.390465 2.680668 ESP Fit Center 1537 is at -4.245550 -2.464719 2.332729 ESP Fit Center 1538 is at -4.117717 -2.879141 2.332729 ESP Fit Center 1539 is at -3.873411 -3.237473 2.332729 ESP Fit Center 1540 is at -3.534339 -3.507874 2.332729 ESP Fit Center 1541 is at -4.212225 -3.059252 1.927545 ESP Fit Center 1542 is at -3.954339 -3.395335 1.927545 ESP Fit Center 1543 is at -3.618255 -3.653221 1.927545 ESP Fit Center 1544 is at -4.166026 -3.235353 1.492729 ESP Fit Center 1545 is at -3.877750 -3.542336 1.492729 ESP Fit Center 1546 is at -3.522186 -3.767984 1.492729 ESP Fit Center 1547 is at -3.954339 -3.395335 1.057913 ESP Fit Center 1548 is at -3.618255 -3.653221 1.057913 ESP Fit Center 1549 is at -3.534339 -3.507874 0.652729 ESP Fit Center 1550 is at -3.567242 -3.589489 -0.198445 ESP Fit Center 1551 is at -3.163532 -3.747934 -0.198445 ESP Fit Center 1552 is at -3.987242 -3.476950 -0.603629 ESP Fit Center 1553 is at -3.651159 -3.734836 -0.603629 ESP Fit Center 1554 is at -3.259781 -3.896950 -0.603629 ESP Fit Center 1555 is at -4.198930 -3.316968 -1.038445 ESP Fit Center 1556 is at -3.910653 -3.623951 -1.038445 ESP Fit Center 1557 is at -3.555090 -3.849598 -1.038445 ESP Fit Center 1558 is at -3.154582 -3.979732 -1.038445 ESP Fit Center 1559 is at -4.245128 -3.140867 -1.473261 ESP Fit Center 1560 is at -3.987242 -3.476950 -1.473261 ESP Fit Center 1561 is at -3.651159 -3.734836 -1.473261 ESP Fit Center 1562 is at -3.259781 -3.896950 -1.473261 ESP Fit Center 1563 is at -4.150621 -2.960756 -1.878445 ESP Fit Center 1564 is at -3.906315 -3.319088 -1.878445 ESP Fit Center 1565 is at -3.567242 -3.589489 -1.878445 ESP Fit Center 1566 is at -3.163532 -3.747934 -1.878445 ESP Fit Center 1567 is at -4.007493 -2.547772 -2.226385 ESP Fit Center 1568 is at -3.849787 -2.954858 -2.226385 ESP Fit Center 1569 is at -3.555674 -3.277485 -2.226385 ESP Fit Center 1570 is at -3.164876 -3.472080 -2.226385 ESP Fit Center 1571 is at -3.679781 -2.329489 -2.493368 ESP Fit Center 1572 is at -3.567242 -2.749489 -2.493368 ESP Fit Center 1573 is at -3.259781 -3.056950 -2.493368 ESP Fit Center 1574 is at -3.057189 -1.952927 -2.661201 ESP Fit Center 1575 is at -3.274597 -2.329489 -2.661201 ESP Fit Center 1576 is at 5.050599 -0.905540 2.059278 ESP Fit Center 1577 is at 5.460288 -0.905540 2.018927 ESP Fit Center 1578 is at 5.255444 -0.550738 2.018927 ESP Fit Center 1579 is at 4.845754 -0.550738 2.018927 ESP Fit Center 1580 is at 4.640909 -0.905540 2.018927 ESP Fit Center 1581 is at 4.845754 -1.260341 2.018927 ESP Fit Center 1582 is at 5.255444 -1.260341 2.018927 ESP Fit Center 1583 is at 4.648781 -0.209571 1.899425 ESP Fit Center 1584 is at 4.354630 -1.307357 1.899425 ESP Fit Center 1585 is at 4.648781 -1.601508 1.899425 ESP Fit Center 1586 is at 5.050599 -1.709175 1.899425 ESP Fit Center 1587 is at 5.452416 -1.601508 1.899425 ESP Fit Center 1588 is at 5.746567 -1.307357 1.899425 ESP Fit Center 1589 is at 4.731317 0.216620 1.705365 ESP Fit Center 1590 is at 4.347506 -1.836584 1.705365 ESP Fit Center 1591 is at 4.078180 -2.027771 1.444203 ESP Fit Center 1592 is at 4.839272 0.564270 -1.525646 ESP Fit Center 1593 is at 5.158248 0.256181 -1.786808 ESP Fit Center 1594 is at 4.731317 0.216620 -1.786808 ESP Fit Center 1595 is at 5.854234 -0.905540 -1.980869 ESP Fit Center 1596 is at 5.452416 -0.209571 -1.980869 ESP Fit Center 1597 is at 5.050599 -0.101905 -1.980869 ESP Fit Center 1598 is at 4.648781 -0.209571 -1.980869 ESP Fit Center 1599 is at 4.354630 -1.307357 -1.980869 ESP Fit Center 1600 is at 5.460288 -0.905540 -2.100371 ESP Fit Center 1601 is at 5.255444 -0.550738 -2.100371 ESP Fit Center 1602 is at 4.845754 -0.550738 -2.100371 ESP Fit Center 1603 is at 4.640909 -0.905540 -2.100371 ESP Fit Center 1604 is at 4.845754 -1.260341 -2.100371 ESP Fit Center 1605 is at 5.255444 -1.260341 -2.100371 ESP Fit Center 1606 is at 5.050599 -0.905540 -2.140722 ESP Fit Center 1607 is at 2.866488 -1.768379 1.429042 ESP Fit Center 1608 is at 2.356435 -1.811817 1.261210 ESP Fit Center 1609 is at 2.663896 -2.119278 1.261210 ESP Fit Center 1610 is at 3.083896 -2.231817 1.261210 ESP Fit Center 1611 is at 2.073890 -2.017187 0.994226 ESP Fit Center 1612 is at 2.368003 -2.339813 0.994226 ESP Fit Center 1613 is at 2.758801 -2.534408 0.994226 ESP Fit Center 1614 is at 3.193506 -2.574689 0.994226 ESP Fit Center 1615 is at 3.613407 -2.455217 0.994226 ESP Fit Center 1616 is at 2.017363 -2.381416 0.646287 ESP Fit Center 1617 is at 2.356435 -2.651817 0.646287 ESP Fit Center 1618 is at 2.760146 -2.810262 0.646287 ESP Fit Center 1619 is at 3.192623 -2.842671 0.646287 ESP Fit Center 1620 is at 1.678549 -2.203195 0.241103 ESP Fit Center 1621 is at 1.936435 -2.539278 0.241103 ESP Fit Center 1622 is at 2.272519 -2.797164 0.241103 ESP Fit Center 1623 is at 2.663896 -2.959278 0.241103 ESP Fit Center 1624 is at 1.724748 -2.379296 -0.193713 ESP Fit Center 1625 is at 2.013024 -2.686279 -0.193713 ESP Fit Center 1626 is at 2.368587 -2.911926 -0.193713 ESP Fit Center 1627 is at 2.769096 -3.042060 -0.193713 ESP Fit Center 1628 is at 1.678549 -2.203195 -0.628529 ESP Fit Center 1629 is at 1.936435 -2.539278 -0.628529 ESP Fit Center 1630 is at 2.272519 -2.797164 -0.628529 ESP Fit Center 1631 is at 2.663896 -2.959278 -0.628529 ESP Fit Center 1632 is at 1.773056 -2.023084 -1.033713 ESP Fit Center 1633 is at 2.017363 -2.381416 -1.033713 ESP Fit Center 1634 is at 2.356435 -2.651817 -1.033713 ESP Fit Center 1635 is at 2.760146 -2.810262 -1.033713 ESP Fit Center 1636 is at 1.916184 -1.610100 -1.381652 ESP Fit Center 1637 is at 2.073890 -2.017187 -1.381652 ESP Fit Center 1638 is at 2.368003 -2.339813 -1.381652 ESP Fit Center 1639 is at 2.758801 -2.534408 -1.381652 ESP Fit Center 1640 is at 3.193506 -2.574689 -1.381652 ESP Fit Center 1641 is at 2.356435 -0.971817 -1.648636 ESP Fit Center 1642 is at 2.243896 -1.391817 -1.648636 ESP Fit Center 1643 is at 2.356435 -1.811817 -1.648636 ESP Fit Center 1644 is at 2.663896 -2.119278 -1.648636 ESP Fit Center 1645 is at 3.083896 -2.231817 -1.648636 ESP Fit Center 1646 is at 3.503896 -2.119278 -1.648636 ESP Fit Center 1647 is at 2.649080 -1.391817 -1.816468 ESP Fit Center 1648 is at 2.866488 -1.768379 -1.816468 ESP Fit Center 1649 is at 3.301304 -1.768379 -1.816468 ESP Fit Center 1650 is at 3.083896 -1.391817 -1.873713 ESP Fit Center 1651 is at 6.104865 0.882382 2.059247 ESP Fit Center 1652 is at 5.703047 0.774716 2.059247 ESP Fit Center 1653 is at 5.408896 0.480565 2.059247 ESP Fit Center 1654 is at 5.301229 0.078747 2.059247 ESP Fit Center 1655 is at 5.408896 -0.323070 2.059247 ESP Fit Center 1656 is at 4.958032 0.293127 1.865186 ESP Fit Center 1657 is at 6.721724 1.429482 1.604024 ESP Fit Center 1658 is at 7.096755 1.515748 1.285798 ESP Fit Center 1659 is at 7.649402 1.252874 0.922735 ESP Fit Center 1660 is at 7.360889 1.557454 0.922735 ESP Fit Center 1661 is at 7.997595 0.890982 0.528790 ESP Fit Center 1662 is at 7.795349 1.255359 0.528790 ESP Fit Center 1663 is at 7.523895 1.571566 0.528790 ESP Fit Center 1664 is at 7.194345 1.826657 0.528790 ESP Fit Center 1665 is at 8.204865 0.078747 0.119100 ESP Fit Center 1666 is at 8.164514 0.488437 0.119100 ESP Fit Center 1667 is at 8.045012 0.882382 0.119100 ESP Fit Center 1668 is at 7.850951 1.245445 0.119100 ESP Fit Center 1669 is at 7.589789 1.563671 0.119100 ESP Fit Center 1670 is at 7.271562 1.824833 0.119100 ESP Fit Center 1671 is at 7.523895 1.571566 -0.290589 ESP Fit Center 1672 is at 7.194345 1.826657 -0.290589 ESP Fit Center 1673 is at 7.523895 -1.414072 -0.290589 ESP Fit Center 1674 is at 7.795349 -1.097865 -0.290589 ESP Fit Center 1675 is at 7.013646 1.792890 -0.684535 ESP Fit Center 1676 is at 6.315332 1.812102 -1.047597 ESP Fit Center 1677 is at 5.893538 1.548557 -1.365824 ESP Fit Center 1678 is at 5.488005 1.429482 -1.365824 ESP Fit Center 1679 is at 5.132446 1.200978 -1.365824 ESP Fit Center 1680 is at 5.401772 1.009792 -1.626986 ESP Fit Center 1681 is at 5.112918 0.692934 -1.626986 ESP Fit Center 1682 is at 5.408896 0.480565 -1.821047 ESP Fit Center 1683 is at 4.668113 -2.277641 1.707876 ESP Fit Center 1684 is at 4.775779 -2.679459 1.707876 ESP Fit Center 1685 is at 4.324916 -2.492021 1.513815 ESP Fit Center 1686 is at 4.479802 -2.891828 1.513815 ESP Fit Center 1687 is at 3.986824 -2.277641 1.252653 ESP Fit Center 1688 is at 4.046974 -2.695993 1.252653 ESP Fit Center 1689 is at 4.854888 -3.628376 1.252653 ESP Fit Center 1690 is at 5.367428 -4.334647 0.177418 ESP Fit Center 1691 is at 5.783636 -4.313539 0.177418 ESP Fit Center 1692 is at 7.571748 -2.277641 -0.232271 ESP Fit Center 1693 is at 7.531397 -1.867951 -0.232271 ESP Fit Center 1694 is at 5.471748 -4.377641 -0.232271 ESP Fit Center 1695 is at 5.881438 -4.337290 -0.232271 ESP Fit Center 1696 is at 6.275383 -4.217788 -0.232271 ESP Fit Center 1697 is at 6.638445 -4.023727 -0.232271 ESP Fit Center 1698 is at 6.956672 -3.762565 -0.232271 ESP Fit Center 1699 is at 7.531397 -2.687331 -0.232271 ESP Fit Center 1700 is at 5.783636 -4.313539 -0.641961 ESP Fit Center 1701 is at 6.187075 -4.209081 -0.641961 ESP Fit Center 1702 is at 6.561228 -4.025550 -0.641961 ESP Fit Center 1703 is at 6.890778 -3.770460 -0.641961 ESP Fit Center 1704 is at 5.576785 -4.214943 -1.035907 ESP Fit Center 1705 is at 5.990792 -4.147070 -1.035907 ESP Fit Center 1706 is at 5.682215 -4.010996 -1.398969 ESP Fit Center 1707 is at 4.046974 -1.859290 -1.717196 ESP Fit Center 1708 is at 5.260421 -3.747451 -1.717196 ESP Fit Center 1709 is at 4.479802 -1.663454 -1.978357 ESP Fit Center 1710 is at 4.324916 -2.063261 -1.978357 ESP Fit Center 1711 is at 4.324916 -2.492021 -1.978357 ESP Fit Center 1712 is at 4.775779 -1.875823 -2.172418 ESP Fit Center 1713 is at 4.668113 -2.277641 -2.172418 ESP Fit Center 1714 is at 4.775779 -2.679459 -2.172418 ESP Fit Center 1715 is at 6.752517 -0.211912 2.618841 ESP Fit Center 1716 is at 7.187333 -0.211912 2.561596 ESP Fit Center 1717 is at 6.969925 0.164650 2.561596 ESP Fit Center 1718 is at 6.535109 0.164650 2.561596 ESP Fit Center 1719 is at 6.317701 -0.211912 2.561596 ESP Fit Center 1720 is at 6.535109 -0.588473 2.561596 ESP Fit Center 1721 is at 6.969925 -0.588473 2.561596 ESP Fit Center 1722 is at 7.592517 -0.211912 2.393764 ESP Fit Center 1723 is at 7.479978 0.208088 2.393764 ESP Fit Center 1724 is at 7.172517 0.515550 2.393764 ESP Fit Center 1725 is at 6.752517 0.628088 2.393764 ESP Fit Center 1726 is at 6.332517 0.515550 2.393764 ESP Fit Center 1727 is at 6.025056 0.208088 2.393764 ESP Fit Center 1728 is at 5.912517 -0.211912 2.393764 ESP Fit Center 1729 is at 6.025056 -0.631912 2.393764 ESP Fit Center 1730 is at 6.332517 -0.939373 2.393764 ESP Fit Center 1731 is at 6.752517 -1.051912 2.393764 ESP Fit Center 1732 is at 7.172517 -0.939373 2.393764 ESP Fit Center 1733 is at 7.479978 -0.631912 2.393764 ESP Fit Center 1734 is at 7.940456 -0.211912 2.126780 ESP Fit Center 1735 is at 7.860237 0.217222 2.126780 ESP Fit Center 1736 is at 7.630415 0.588398 2.126780 ESP Fit Center 1737 is at 7.282027 0.851488 2.126780 ESP Fit Center 1738 is at 6.862126 0.970960 2.126780 ESP Fit Center 1739 is at 6.427422 0.930679 2.126780 ESP Fit Center 1740 is at 6.036623 0.736085 2.126780 ESP Fit Center 1741 is at 5.584804 -0.430195 2.126780 ESP Fit Center 1742 is at 5.742510 -0.837281 2.126780 ESP Fit Center 1743 is at 6.036623 -1.159908 2.126780 ESP Fit Center 1744 is at 6.427422 -1.354502 2.126780 ESP Fit Center 1745 is at 6.862126 -1.394783 2.126780 ESP Fit Center 1746 is at 7.282027 -1.275311 2.126780 ESP Fit Center 1747 is at 7.630415 -1.012221 2.126780 ESP Fit Center 1748 is at 7.860237 -0.641045 2.126780 ESP Fit Center 1749 is at 8.207440 -0.211912 1.778841 ESP Fit Center 1750 is at 8.142801 0.216934 1.778841 ESP Fit Center 1751 is at 7.954630 0.607676 1.778841 ESP Fit Center 1752 is at 7.659646 0.925593 1.778841 ESP Fit Center 1753 is at 7.284060 1.142438 1.778841 ESP Fit Center 1754 is at 6.861243 1.238943 1.778841 ESP Fit Center 1755 is at 6.861243 -1.662766 1.778841 ESP Fit Center 1756 is at 7.284060 -1.566261 1.778841 ESP Fit Center 1757 is at 7.659646 -1.349416 1.778841 ESP Fit Center 1758 is at 7.954630 -1.031499 1.778841 ESP Fit Center 1759 is at 8.142801 -0.640758 1.778841 ESP Fit Center 1760 is at 8.375272 -0.211912 1.373657 ESP Fit Center 1761 is at 8.319978 0.208088 1.373657 ESP Fit Center 1762 is at 8.157864 0.599466 1.373657 ESP Fit Center 1763 is at 7.899978 0.935550 1.373657 ESP Fit Center 1764 is at 7.563895 1.193436 1.373657 ESP Fit Center 1765 is at 7.563895 -1.617259 1.373657 ESP Fit Center 1766 is at 7.899978 -1.359373 1.373657 ESP Fit Center 1767 is at 8.157864 -1.023289 1.373657 ESP Fit Center 1768 is at 8.319978 -0.631912 1.373657 ESP Fit Center 1769 is at 8.432517 -0.211912 0.938841 ESP Fit Center 1770 is at 8.379737 0.205887 0.938841 ESP Fit Center 1771 is at 8.224712 0.597435 0.938841 ESP Fit Center 1772 is at 7.977184 0.938128 0.938841 ESP Fit Center 1773 is at 7.652706 -1.630382 0.938841 ESP Fit Center 1774 is at 7.977184 -1.361951 0.938841 ESP Fit Center 1775 is at 8.224712 -1.021258 0.938841 ESP Fit Center 1776 is at 8.379737 -0.629711 0.938841 ESP Fit Center 1777 is at 8.375272 -0.211912 0.504025 ESP Fit Center 1778 is at 8.319978 0.208088 0.504025 ESP Fit Center 1779 is at 8.157864 0.599466 0.504025 ESP Fit Center 1780 is at 7.563895 -1.617259 0.504025 ESP Fit Center 1781 is at 7.899978 -1.359373 0.504025 ESP Fit Center 1782 is at 8.157864 -1.023289 0.504025 ESP Fit Center 1783 is at 8.319978 -0.631912 0.504025 ESP Fit Center 1784 is at 8.207440 -0.211912 0.098841 ESP Fit Center 1785 is at 7.659646 -1.349416 0.098841 ESP Fit Center 1786 is at 7.954630 -1.031499 0.098841 ESP Fit Center 1787 is at 8.142801 -0.640758 0.098841 ESP Fit Center 1788 is at 5.669674 1.040431 2.007799 ESP Fit Center 1789 is at 5.887082 1.416993 1.950554 ESP Fit Center 1790 is at 5.452266 1.416993 1.950554 ESP Fit Center 1791 is at 5.234858 1.040431 1.950554 ESP Fit Center 1792 is at 6.397135 1.460431 1.782722 ESP Fit Center 1793 is at 6.089674 1.767893 1.782722 ESP Fit Center 1794 is at 5.669674 1.880431 1.782722 ESP Fit Center 1795 is at 5.249674 1.767893 1.782722 ESP Fit Center 1796 is at 4.942212 1.460431 1.782722 ESP Fit Center 1797 is at 4.829674 1.040431 1.782722 ESP Fit Center 1798 is at 4.942212 0.620431 1.782722 ESP Fit Center 1799 is at 6.547571 1.840741 1.515738 ESP Fit Center 1800 is at 6.199184 2.103831 1.515738 ESP Fit Center 1801 is at 5.779283 2.223303 1.515738 ESP Fit Center 1802 is at 5.344578 2.183022 1.515738 ESP Fit Center 1803 is at 4.953780 1.988427 1.515738 ESP Fit Center 1804 is at 4.659667 1.665801 1.515738 ESP Fit Center 1805 is at 6.871787 1.860018 1.167799 ESP Fit Center 1806 is at 6.576803 2.177936 1.167799 ESP Fit Center 1807 is at 6.201216 2.394781 1.167799 ESP Fit Center 1808 is at 5.778400 2.491286 1.167799 ESP Fit Center 1809 is at 5.345923 2.458876 1.167799 ESP Fit Center 1810 is at 4.942212 2.300431 1.167799 ESP Fit Center 1811 is at 4.603140 2.030030 1.167799 ESP Fit Center 1812 is at 7.075021 1.851809 0.762615 ESP Fit Center 1813 is at 6.817135 2.187893 0.762615 ESP Fit Center 1814 is at 6.481051 2.445779 0.762615 ESP Fit Center 1815 is at 6.089674 2.607893 0.762615 ESP Fit Center 1816 is at 5.669674 2.663187 0.762615 ESP Fit Center 1817 is at 5.249674 2.607893 0.762615 ESP Fit Center 1818 is at 4.858296 2.445779 0.762615 ESP Fit Center 1819 is at 6.894341 2.190470 0.327799 ESP Fit Center 1820 is at 6.569863 2.458902 0.327799 ESP Fit Center 1821 is at 6.188822 2.638206 0.327799 ESP Fit Center 1822 is at 5.775162 2.717116 0.327799 ESP Fit Center 1823 is at 5.354873 2.690674 0.327799 ESP Fit Center 1824 is at 4.954364 2.560541 0.327799 ESP Fit Center 1825 is at 4.598801 2.334893 0.327799 ESP Fit Center 1826 is at 6.817135 2.187893 -0.107017 ESP Fit Center 1827 is at 6.481051 2.445779 -0.107017 ESP Fit Center 1828 is at 6.089674 2.607893 -0.107017 ESP Fit Center 1829 is at 5.669674 2.663187 -0.107017 ESP Fit Center 1830 is at 5.249674 2.607893 -0.107017 ESP Fit Center 1831 is at 4.858296 2.445779 -0.107017 ESP Fit Center 1832 is at 6.576803 2.177936 -0.512201 ESP Fit Center 1833 is at 6.201216 2.394781 -0.512201 ESP Fit Center 1834 is at 5.778400 2.491286 -0.512201 ESP Fit Center 1835 is at 5.345923 2.458876 -0.512201 ESP Fit Center 1836 is at 4.942212 2.300431 -0.512201 ESP Fit Center 1837 is at 6.199184 2.103831 -0.860140 ESP Fit Center 1838 is at 5.779283 2.223303 -0.860140 ESP Fit Center 1839 is at 5.344578 2.183022 -0.860140 ESP Fit Center 1840 is at 4.953780 1.988427 -0.860140 ESP Fit Center 1841 is at 5.669674 1.880431 -1.127124 ESP Fit Center 1842 is at 5.249674 1.767893 -1.127124 ESP Fit Center 1843 is at 4.942212 1.460431 -1.127124 ESP Fit Center 1844 is at 8.321667 0.141003 -0.352111 ESP Fit Center 1845 is at 8.266373 0.561003 -0.352111 ESP Fit Center 1846 is at 8.104259 0.952381 -0.352111 ESP Fit Center 1847 is at 7.846373 1.288465 -0.352111 ESP Fit Center 1848 is at 7.846373 -1.006458 -0.352111 ESP Fit Center 1849 is at 8.104259 -0.670374 -0.352111 ESP Fit Center 1850 is at 8.266373 -0.278997 -0.352111 ESP Fit Center 1851 is at 8.378912 0.141003 -0.786927 ESP Fit Center 1852 is at 8.326131 0.558802 -0.786927 ESP Fit Center 1853 is at 8.171107 0.950350 -0.786927 ESP Fit Center 1854 is at 7.923579 1.291042 -0.786927 ESP Fit Center 1855 is at 7.599101 1.559474 -0.786927 ESP Fit Center 1856 is at 7.218060 1.738778 -0.786927 ESP Fit Center 1857 is at 7.599101 -1.277468 -0.786927 ESP Fit Center 1858 is at 7.923579 -1.009036 -0.786927 ESP Fit Center 1859 is at 8.171107 -0.668343 -0.786927 ESP Fit Center 1860 is at 8.326131 -0.276796 -0.786927 ESP Fit Center 1861 is at 8.321667 0.141003 -1.221743 ESP Fit Center 1862 is at 8.266373 0.561003 -1.221743 ESP Fit Center 1863 is at 8.104259 0.952381 -1.221743 ESP Fit Center 1864 is at 7.846373 1.288465 -1.221743 ESP Fit Center 1865 is at 7.510289 1.546351 -1.221743 ESP Fit Center 1866 is at 7.118912 1.708465 -1.221743 ESP Fit Center 1867 is at 6.698912 1.763759 -1.221743 ESP Fit Center 1868 is at 6.278912 1.708465 -1.221743 ESP Fit Center 1869 is at 7.510289 -1.264344 -1.221743 ESP Fit Center 1870 is at 7.846373 -1.006458 -1.221743 ESP Fit Center 1871 is at 8.104259 -0.670374 -1.221743 ESP Fit Center 1872 is at 8.266373 -0.278997 -1.221743 ESP Fit Center 1873 is at 8.153834 0.141003 -1.626927 ESP Fit Center 1874 is at 8.089196 0.569849 -1.626927 ESP Fit Center 1875 is at 7.901025 0.960590 -1.626927 ESP Fit Center 1876 is at 7.606041 1.278508 -1.626927 ESP Fit Center 1877 is at 7.230455 1.495353 -1.626927 ESP Fit Center 1878 is at 6.807638 1.591858 -1.626927 ESP Fit Center 1879 is at 6.375161 1.559448 -1.626927 ESP Fit Center 1880 is at 5.971450 1.401003 -1.626927 ESP Fit Center 1881 is at 7.230455 -1.213346 -1.626927 ESP Fit Center 1882 is at 7.606041 -0.996501 -1.626927 ESP Fit Center 1883 is at 7.901025 -0.678584 -1.626927 ESP Fit Center 1884 is at 8.089196 -0.287843 -1.626927 ESP Fit Center 1885 is at 7.886851 0.141003 -1.974867 ESP Fit Center 1886 is at 7.806632 0.570137 -1.974867 ESP Fit Center 1887 is at 7.576809 0.941313 -1.974867 ESP Fit Center 1888 is at 7.228422 1.204403 -1.974867 ESP Fit Center 1889 is at 6.808521 1.323875 -1.974867 ESP Fit Center 1890 is at 6.373817 1.283594 -1.974867 ESP Fit Center 1891 is at 5.983018 1.088999 -1.974867 ESP Fit Center 1892 is at 5.688905 0.766373 -1.974867 ESP Fit Center 1893 is at 5.531199 0.359287 -1.974867 ESP Fit Center 1894 is at 5.531199 -0.077280 -1.974867 ESP Fit Center 1895 is at 5.983018 -0.806993 -1.974867 ESP Fit Center 1896 is at 6.808521 -1.041869 -1.974867 ESP Fit Center 1897 is at 7.228422 -0.922396 -1.974867 ESP Fit Center 1898 is at 7.576809 -0.659306 -1.974867 ESP Fit Center 1899 is at 7.806632 -0.288130 -1.974867 ESP Fit Center 1900 is at 7.538912 0.141003 -2.241850 ESP Fit Center 1901 is at 7.426373 0.561003 -2.241850 ESP Fit Center 1902 is at 7.118912 0.868465 -2.241850 ESP Fit Center 1903 is at 6.698912 0.981003 -2.241850 ESP Fit Center 1904 is at 6.278912 0.868465 -2.241850 ESP Fit Center 1905 is at 5.971450 0.561003 -2.241850 ESP Fit Center 1906 is at 5.858912 0.141003 -2.241850 ESP Fit Center 1907 is at 5.971450 -0.278997 -2.241850 ESP Fit Center 1908 is at 6.278912 -0.586458 -2.241850 ESP Fit Center 1909 is at 6.698912 -0.698997 -2.241850 ESP Fit Center 1910 is at 7.118912 -0.586458 -2.241850 ESP Fit Center 1911 is at 7.426373 -0.278997 -2.241850 ESP Fit Center 1912 is at 7.133728 0.141003 -2.409683 ESP Fit Center 1913 is at 6.916320 0.517565 -2.409683 ESP Fit Center 1914 is at 6.481504 0.517565 -2.409683 ESP Fit Center 1915 is at 6.264096 0.141003 -2.409683 ESP Fit Center 1916 is at 6.481504 -0.235558 -2.409683 ESP Fit Center 1917 is at 6.916320 -0.235558 -2.409683 ESP Fit Center 1918 is at 6.698912 0.141003 -2.466927 ESP Fit Center 1919 is at 6.055816 -2.614322 2.297228 ESP Fit Center 1920 is at 6.490632 -2.614322 2.239984 ESP Fit Center 1921 is at 6.273224 -2.237761 2.239984 ESP Fit Center 1922 is at 5.838408 -2.237761 2.239984 ESP Fit Center 1923 is at 5.621000 -2.614322 2.239984 ESP Fit Center 1924 is at 5.838408 -2.990884 2.239984 ESP Fit Center 1925 is at 6.273224 -2.990884 2.239984 ESP Fit Center 1926 is at 6.895816 -2.614322 2.072151 ESP Fit Center 1927 is at 6.783277 -2.194322 2.072151 ESP Fit Center 1928 is at 6.475816 -1.886861 2.072151 ESP Fit Center 1929 is at 6.055816 -1.774322 2.072151 ESP Fit Center 1930 is at 5.635816 -1.886861 2.072151 ESP Fit Center 1931 is at 5.328355 -2.194322 2.072151 ESP Fit Center 1932 is at 5.215816 -2.614322 2.072151 ESP Fit Center 1933 is at 5.328355 -3.034322 2.072151 ESP Fit Center 1934 is at 5.635816 -3.341784 2.072151 ESP Fit Center 1935 is at 6.055816 -3.454322 2.072151 ESP Fit Center 1936 is at 6.475816 -3.341784 2.072151 ESP Fit Center 1937 is at 6.783277 -3.034322 2.072151 ESP Fit Center 1938 is at 7.243755 -2.614322 1.805168 ESP Fit Center 1939 is at 7.163536 -2.185189 1.805168 ESP Fit Center 1940 is at 6.933714 -1.814013 1.805168 ESP Fit Center 1941 is at 5.045810 -1.988953 1.805168 ESP Fit Center 1942 is at 4.888104 -2.396039 1.805168 ESP Fit Center 1943 is at 4.888104 -2.832606 1.805168 ESP Fit Center 1944 is at 5.045810 -3.239692 1.805168 ESP Fit Center 1945 is at 5.339923 -3.562319 1.805168 ESP Fit Center 1946 is at 5.730721 -3.756913 1.805168 ESP Fit Center 1947 is at 6.165425 -3.797194 1.805168 ESP Fit Center 1948 is at 6.585326 -3.677722 1.805168 ESP Fit Center 1949 is at 6.933714 -3.414632 1.805168 ESP Fit Center 1950 is at 7.163536 -3.043456 1.805168 ESP Fit Center 1951 is at 7.510739 -2.614322 1.457228 ESP Fit Center 1952 is at 7.446101 -2.185477 1.457228 ESP Fit Center 1953 is at 7.257930 -1.794735 1.457228 ESP Fit Center 1954 is at 4.989282 -3.603921 1.457228 ESP Fit Center 1955 is at 5.328355 -3.874322 1.457228 ESP Fit Center 1956 is at 5.732065 -4.032767 1.457228 ESP Fit Center 1957 is at 6.164543 -4.065177 1.457228 ESP Fit Center 1958 is at 6.587359 -3.968672 1.457228 ESP Fit Center 1959 is at 6.962945 -3.751827 1.457228 ESP Fit Center 1960 is at 7.257930 -3.433910 1.457228 ESP Fit Center 1961 is at 7.446101 -3.043168 1.457228 ESP Fit Center 1962 is at 7.678571 -2.614322 1.052044 ESP Fit Center 1963 is at 7.623277 -2.194322 1.052044 ESP Fit Center 1964 is at 7.461163 -1.802945 1.052044 ESP Fit Center 1965 is at 5.244438 -4.019670 1.052044 ESP Fit Center 1966 is at 5.635816 -4.181784 1.052044 ESP Fit Center 1967 is at 6.055816 -4.237078 1.052044 ESP Fit Center 1968 is at 6.475816 -4.181784 1.052044 ESP Fit Center 1969 is at 6.867194 -4.019670 1.052044 ESP Fit Center 1970 is at 7.203277 -3.761784 1.052044 ESP Fit Center 1971 is at 7.461163 -3.425700 1.052044 ESP Fit Center 1972 is at 7.623277 -3.034322 1.052044 ESP Fit Center 1973 is at 7.735816 -2.614322 0.617228 ESP Fit Center 1974 is at 7.683036 -2.196523 0.617228 ESP Fit Center 1975 is at 7.528011 -1.804976 0.617228 ESP Fit Center 1976 is at 5.741015 -4.264565 0.617228 ESP Fit Center 1977 is at 6.161304 -4.291007 0.617228 ESP Fit Center 1978 is at 6.574965 -4.212097 0.617228 ESP Fit Center 1979 is at 6.956005 -4.032793 0.617228 ESP Fit Center 1980 is at 7.280483 -3.764362 0.617228 ESP Fit Center 1981 is at 7.528011 -3.423669 0.617228 ESP Fit Center 1982 is at 7.683036 -3.032122 0.617228 ESP Fit Center 1983 is at 7.678571 -2.614322 0.182412 ESP Fit Center 1984 is at 7.623277 -2.194322 0.182412 ESP Fit Center 1985 is at 6.475816 -4.181784 0.182412 ESP Fit Center 1986 is at 6.867194 -4.019670 0.182412 ESP Fit Center 1987 is at 7.203277 -3.761784 0.182412 ESP Fit Center 1988 is at 7.461163 -3.425700 0.182412 ESP Fit Center 1989 is at 7.623277 -3.034322 0.182412 ESP Fit Center 1990 is at 7.257930 -3.433910 -0.222772 ESP Fit Center 1991 is at 7.446101 -3.043168 -0.222772 ESP Fit Center 1992 is at 7.703797 -2.367341 -0.690714 ESP Fit Center 1993 is at 7.648503 -1.947341 -0.690714 ESP Fit Center 1994 is at 7.486389 -1.555964 -0.690714 ESP Fit Center 1995 is at 6.892420 -3.772689 -0.690714 ESP Fit Center 1996 is at 7.228503 -3.514803 -0.690714 ESP Fit Center 1997 is at 7.486389 -3.178719 -0.690714 ESP Fit Center 1998 is at 7.648503 -2.787341 -0.690714 ESP Fit Center 1999 is at 7.761042 -2.367341 -1.125530 ESP Fit Center 2000 is at 7.708262 -1.949542 -1.125530 ESP Fit Center 2001 is at 7.553237 -1.557995 -1.125530 ESP Fit Center 2002 is at 6.186530 -4.044026 -1.125530 ESP Fit Center 2003 is at 6.600190 -3.965116 -1.125530 ESP Fit Center 2004 is at 6.981231 -3.785812 -1.125530 ESP Fit Center 2005 is at 7.305709 -3.517381 -1.125530 ESP Fit Center 2006 is at 7.553237 -3.176688 -1.125530 ESP Fit Center 2007 is at 7.708262 -2.785140 -1.125530 ESP Fit Center 2008 is at 7.703797 -2.367341 -1.560346 ESP Fit Center 2009 is at 7.648503 -1.947341 -1.560346 ESP Fit Center 2010 is at 7.486389 -1.555964 -1.560346 ESP Fit Center 2011 is at 5.661042 -3.934803 -1.560346 ESP Fit Center 2012 is at 6.081042 -3.990097 -1.560346 ESP Fit Center 2013 is at 6.501042 -3.934803 -1.560346 ESP Fit Center 2014 is at 6.892420 -3.772689 -1.560346 ESP Fit Center 2015 is at 7.228503 -3.514803 -1.560346 ESP Fit Center 2016 is at 7.486389 -3.178719 -1.560346 ESP Fit Center 2017 is at 7.648503 -2.787341 -1.560346 ESP Fit Center 2018 is at 7.535965 -2.367341 -1.965530 ESP Fit Center 2019 is at 7.471326 -1.938495 -1.965530 ESP Fit Center 2020 is at 7.283155 -1.547754 -1.965530 ESP Fit Center 2021 is at 6.988171 -1.229837 -1.965530 ESP Fit Center 2022 is at 5.353581 -3.627341 -1.965530 ESP Fit Center 2023 is at 5.757291 -3.785786 -1.965530 ESP Fit Center 2024 is at 6.189768 -3.818196 -1.965530 ESP Fit Center 2025 is at 6.612585 -3.721691 -1.965530 ESP Fit Center 2026 is at 6.988171 -3.504846 -1.965530 ESP Fit Center 2027 is at 7.283155 -3.186929 -1.965530 ESP Fit Center 2028 is at 7.471326 -2.796187 -1.965530 ESP Fit Center 2029 is at 7.268981 -2.367341 -2.313469 ESP Fit Center 2030 is at 7.188762 -1.938208 -2.313469 ESP Fit Center 2031 is at 6.958940 -1.567032 -2.313469 ESP Fit Center 2032 is at 6.610552 -1.303942 -2.313469 ESP Fit Center 2033 is at 6.190651 -1.184470 -2.313469 ESP Fit Center 2034 is at 5.755947 -1.224751 -2.313469 ESP Fit Center 2035 is at 5.365148 -1.419345 -2.313469 ESP Fit Center 2036 is at 5.071035 -1.741972 -2.313469 ESP Fit Center 2037 is at 4.913329 -2.149058 -2.313469 ESP Fit Center 2038 is at 4.913329 -2.585625 -2.313469 ESP Fit Center 2039 is at 5.071035 -2.992711 -2.313469 ESP Fit Center 2040 is at 5.365148 -3.315338 -2.313469 ESP Fit Center 2041 is at 5.755947 -3.509932 -2.313469 ESP Fit Center 2042 is at 6.190651 -3.550213 -2.313469 ESP Fit Center 2043 is at 6.610552 -3.430741 -2.313469 ESP Fit Center 2044 is at 6.958940 -3.167651 -2.313469 ESP Fit Center 2045 is at 7.188762 -2.796475 -2.313469 ESP Fit Center 2046 is at 6.921042 -2.367341 -2.580452 ESP Fit Center 2047 is at 6.808503 -1.947341 -2.580452 ESP Fit Center 2048 is at 6.501042 -1.639880 -2.580452 ESP Fit Center 2049 is at 6.081042 -1.527341 -2.580452 ESP Fit Center 2050 is at 5.661042 -1.639880 -2.580452 ESP Fit Center 2051 is at 5.353581 -1.947341 -2.580452 ESP Fit Center 2052 is at 5.241042 -2.367341 -2.580452 ESP Fit Center 2053 is at 5.353581 -2.787341 -2.580452 ESP Fit Center 2054 is at 5.661042 -3.094803 -2.580452 ESP Fit Center 2055 is at 6.081042 -3.207341 -2.580452 ESP Fit Center 2056 is at 6.501042 -3.094803 -2.580452 ESP Fit Center 2057 is at 6.808503 -2.787341 -2.580452 ESP Fit Center 2058 is at 6.515858 -2.367341 -2.748285 ESP Fit Center 2059 is at 6.298450 -1.990780 -2.748285 ESP Fit Center 2060 is at 5.863634 -1.990780 -2.748285 ESP Fit Center 2061 is at 5.646226 -2.367341 -2.748285 ESP Fit Center 2062 is at 5.863634 -2.743903 -2.748285 ESP Fit Center 2063 is at 6.298450 -2.743903 -2.748285 ESP Fit Center 2064 is at 6.081042 -2.367341 -2.805530 ESP Fit Center 2065 is at 4.393254 -3.299146 1.286499 ESP Fit Center 2066 is at 3.770662 -2.922585 1.118666 ESP Fit Center 2067 is at 3.883200 -3.342585 1.118666 ESP Fit Center 2068 is at 4.190662 -3.650046 1.118666 ESP Fit Center 2069 is at 4.610662 -3.762585 1.118666 ESP Fit Center 2070 is at 3.442949 -2.704301 0.851683 ESP Fit Center 2071 is at 3.442949 -3.140868 0.851683 ESP Fit Center 2072 is at 3.600655 -3.547954 0.851683 ESP Fit Center 2073 is at 3.894768 -3.870581 0.851683 ESP Fit Center 2074 is at 4.285567 -4.065175 0.851683 ESP Fit Center 2075 is at 4.720271 -4.105456 0.851683 ESP Fit Center 2076 is at 3.171989 -3.139430 0.503743 ESP Fit Center 2077 is at 3.299822 -3.553852 0.503743 ESP Fit Center 2078 is at 3.544128 -3.912183 0.503743 ESP Fit Center 2079 is at 3.883200 -4.182585 0.503743 ESP Fit Center 2080 is at 4.286911 -4.341029 0.503743 ESP Fit Center 2081 is at 4.719388 -4.373439 0.503743 ESP Fit Center 2082 is at 5.142205 -4.276934 0.503743 ESP Fit Center 2083 is at 3.043200 -3.342585 0.098559 ESP Fit Center 2084 is at 3.205314 -3.733962 0.098559 ESP Fit Center 2085 is at 3.463200 -4.070046 0.098559 ESP Fit Center 2086 is at 3.799284 -4.327932 0.098559 ESP Fit Center 2087 is at 4.190662 -4.490046 0.098559 ESP Fit Center 2088 is at 4.610662 -4.545340 0.098559 ESP Fit Center 2089 is at 5.030662 -4.490046 0.098559 ESP Fit Center 2090 is at 2.943909 -3.133144 -0.336257 ESP Fit Center 2091 is at 3.048637 -3.541034 -0.336257 ESP Fit Center 2092 is at 3.251513 -3.910064 -0.336257 ESP Fit Center 2093 is at 3.539789 -4.217047 -0.336257 ESP Fit Center 2094 is at 3.895352 -4.442694 -0.336257 ESP Fit Center 2095 is at 4.295861 -4.572827 -0.336257 ESP Fit Center 2096 is at 4.716150 -4.599269 -0.336257 ESP Fit Center 2097 is at 5.129810 -4.520359 -0.336257 ESP Fit Center 2098 is at 3.043200 -3.342585 -0.771073 ESP Fit Center 2099 is at 3.205314 -3.733962 -0.771073 ESP Fit Center 2100 is at 3.463200 -4.070046 -0.771073 ESP Fit Center 2101 is at 3.799284 -4.327932 -0.771073 ESP Fit Center 2102 is at 4.190662 -4.490046 -0.771073 ESP Fit Center 2103 is at 4.610662 -4.545340 -0.771073 ESP Fit Center 2104 is at 5.030662 -4.490046 -0.771073 ESP Fit Center 2105 is at 5.422039 -4.327932 -0.771073 ESP Fit Center 2106 is at 3.171989 -3.139430 -1.176257 ESP Fit Center 2107 is at 3.299822 -3.553852 -1.176257 ESP Fit Center 2108 is at 3.544128 -3.912183 -1.176257 ESP Fit Center 2109 is at 3.883200 -4.182585 -1.176257 ESP Fit Center 2110 is at 4.286911 -4.341029 -1.176257 ESP Fit Center 2111 is at 4.719388 -4.373439 -1.176257 ESP Fit Center 2112 is at 5.142205 -4.276934 -1.176257 ESP Fit Center 2113 is at 3.600655 -2.297215 -1.524196 ESP Fit Center 2114 is at 3.442949 -2.704301 -1.524196 ESP Fit Center 2115 is at 3.442949 -3.140868 -1.524196 ESP Fit Center 2116 is at 3.600655 -3.547954 -1.524196 ESP Fit Center 2117 is at 3.894768 -3.870581 -1.524196 ESP Fit Center 2118 is at 4.285567 -4.065175 -1.524196 ESP Fit Center 2119 is at 4.720271 -4.105456 -1.524196 ESP Fit Center 2120 is at 5.140172 -3.985984 -1.524196 ESP Fit Center 2121 is at 3.883200 -2.502585 -1.791179 ESP Fit Center 2122 is at 3.770662 -2.922585 -1.791179 ESP Fit Center 2123 is at 3.883200 -3.342585 -1.791179 ESP Fit Center 2124 is at 4.190662 -3.650046 -1.791179 ESP Fit Center 2125 is at 4.610662 -3.762585 -1.791179 ESP Fit Center 2126 is at 5.030662 -3.650046 -1.791179 ESP Fit Center 2127 is at 4.175846 -2.922585 -1.959012 ESP Fit Center 2128 is at 4.393254 -3.299146 -1.959012 ESP Fit Center 2129 is at 4.828070 -3.299146 -1.959012 ESP Fit Center 2130 is at -0.527803 -4.189359 -0.413881 ESP Fit Center 2131 is at -2.483446 -2.103821 3.571812 ESP Fit Center 2132 is at -2.593419 -2.514245 3.571812 ESP Fit Center 2133 is at -2.483446 -2.924669 3.571812 ESP Fit Center 2134 is at -2.182994 -3.225120 3.571812 ESP Fit Center 2135 is at -1.772570 -3.335093 3.571812 ESP Fit Center 2136 is at -2.691824 -1.742900 3.395011 ESP Fit Center 2137 is at -2.972570 -2.514245 3.395011 ESP Fit Center 2138 is at -2.900201 -2.924669 3.395011 ESP Fit Center 2139 is at -2.691824 -3.285590 3.395011 ESP Fit Center 2140 is at -2.372570 -3.553475 3.395011 ESP Fit Center 2141 is at -1.980948 -3.696014 3.395011 ESP Fit Center 2142 is at -1.564193 -3.696014 3.395011 ESP Fit Center 2143 is at -2.662209 -1.253913 3.155057 ESP Fit Center 2144 is at -2.969253 -3.487818 3.155057 ESP Fit Center 2145 is at -2.662209 -3.774576 3.155057 ESP Fit Center 2146 is at -2.289186 -3.967862 3.155057 ESP Fit Center 2147 is at -1.877847 -4.053339 3.155057 ESP Fit Center 2148 is at -1.458701 -4.024668 3.155057 ESP Fit Center 2149 is at -1.062832 -3.883977 3.155057 ESP Fit Center 2150 is at -3.308620 -3.524521 2.859240 ESP Fit Center 2151 is at -3.034230 -3.851526 2.859240 ESP Fit Center 2152 is at -2.691824 -4.106438 2.859240 ESP Fit Center 2153 is at -3.349619 -3.868097 2.516550 ESP Fit Center 2154 is at -0.066646 -3.701604 2.516550 ESP Fit Center 2155 is at -3.545326 -3.908356 2.137398 ESP Fit Center 2156 is at 0.124677 -3.733532 2.137398 ESP Fit Center 2157 is at 0.321143 -3.352441 2.137398 ESP Fit Center 2158 is at 0.256407 -3.726502 1.733306 ESP Fit Center 2159 is at 0.440257 -3.344733 1.733306 ESP Fit Center 2160 is at 0.552985 -2.936271 1.733306 ESP Fit Center 2161 is at -3.611077 -4.056935 1.316550 ESP Fit Center 2162 is at 0.305891 -3.714245 1.316550 ESP Fit Center 2163 is at 0.482692 -3.335093 1.316550 ESP Fit Center 2164 is at -3.684713 -3.903498 0.899794 ESP Fit Center 2165 is at -3.545326 -3.908356 0.495702 ESP Fit Center 2166 is at -3.349619 -3.868097 0.116550 ESP Fit Center 2167 is at -2.905374 -4.195697 -0.108647 ESP Fit Center 2168 is at -3.099761 -4.250565 -0.494096 ESP Fit Center 2169 is at -2.727278 -4.449662 -0.494096 ESP Fit Center 2170 is at -2.323111 -4.572264 -0.494096 ESP Fit Center 2171 is at -1.902791 -4.613662 -0.494096 ESP Fit Center 2172 is at -1.482471 -4.572264 -0.494096 ESP Fit Center 2173 is at -1.078304 -4.449662 -0.494096 ESP Fit Center 2174 is at -0.705821 -4.250565 -0.494096 ESP Fit Center 2175 is at -3.018013 -4.390795 -0.900420 ESP Fit Center 2176 is at -2.632298 -4.566945 -0.900420 ESP Fit Center 2177 is at -2.220216 -4.666915 -0.900420 ESP Fit Center 2178 is at -1.796662 -4.687091 -0.900420 ESP Fit Center 2179 is at -1.376944 -4.626745 -0.900420 ESP Fit Center 2180 is at -0.976231 -4.488057 -0.900420 ESP Fit Center 2181 is at -0.609006 -4.276039 -0.900420 ESP Fit Center 2182 is at -0.288542 -3.998356 -0.900420 ESP Fit Center 2183 is at -3.018013 -4.390795 -1.313782 ESP Fit Center 2184 is at -2.632298 -4.566945 -1.313782 ESP Fit Center 2185 is at -2.220216 -4.666915 -1.313782 ESP Fit Center 2186 is at -1.796662 -4.687091 -1.313782 ESP Fit Center 2187 is at -1.376944 -4.626745 -1.313782 ESP Fit Center 2188 is at -0.976231 -4.488057 -1.313782 ESP Fit Center 2189 is at -0.609006 -4.276039 -1.313782 ESP Fit Center 2190 is at -0.288542 -3.998356 -1.313782 ESP Fit Center 2191 is at -3.099761 -4.250565 -1.720106 ESP Fit Center 2192 is at -2.727278 -4.449662 -1.720106 ESP Fit Center 2193 is at -2.323111 -4.572264 -1.720106 ESP Fit Center 2194 is at -1.902791 -4.613662 -1.720106 ESP Fit Center 2195 is at -1.482471 -4.572264 -1.720106 ESP Fit Center 2196 is at -1.078304 -4.449662 -1.720106 ESP Fit Center 2197 is at -0.705821 -4.250565 -1.720106 ESP Fit Center 2198 is at -0.379337 -3.982627 -1.720106 ESP Fit Center 2199 is at -0.111399 -3.656143 -1.720106 ESP Fit Center 2200 is at 0.087698 -3.283660 -1.720106 ESP Fit Center 2201 is at 0.102375 -2.459173 -2.105555 ESP Fit Center 2202 is at 0.058557 -2.042275 -2.105555 ESP Fit Center 2203 is at -0.070981 -1.643598 -2.105555 ESP Fit Center 2204 is at -0.280578 -1.280566 -2.105555 ESP Fit Center 2205 is at -3.244509 -3.949301 -2.105555 ESP Fit Center 2206 is at -2.905374 -4.195697 -2.105555 ESP Fit Center 2207 is at -2.522421 -4.366199 -2.105555 ESP Fit Center 2208 is at -2.112388 -4.453354 -2.105555 ESP Fit Center 2209 is at -1.693194 -4.453354 -2.105555 ESP Fit Center 2210 is at -1.283161 -4.366199 -2.105555 ESP Fit Center 2211 is at -0.900208 -4.195697 -2.105555 ESP Fit Center 2212 is at -0.561073 -3.949301 -2.105555 ESP Fit Center 2213 is at -0.280578 -3.637780 -2.105555 ESP Fit Center 2214 is at -0.070981 -3.274747 -2.105555 ESP Fit Center 2215 is at 0.058557 -2.876070 -2.105555 ESP Fit Center 2216 is at -0.115232 -2.459173 -2.457003 ESP Fit Center 2217 is at -0.163416 -2.046934 -2.457003 ESP Fit Center 2218 is at -0.305370 -1.656918 -2.457003 ESP Fit Center 2219 is at -0.533442 -1.310152 -2.457003 ESP Fit Center 2220 is at -0.835335 -1.025331 -2.457003 ESP Fit Center 2221 is at -1.194775 -0.817808 -2.457003 ESP Fit Center 2222 is at -3.129488 -3.759396 -2.457003 ESP Fit Center 2223 is at -2.796570 -4.007244 -2.457003 ESP Fit Center 2224 is at -2.415469 -4.171635 -2.457003 ESP Fit Center 2225 is at -2.006728 -4.243707 -2.457003 ESP Fit Center 2226 is at -1.592385 -4.219574 -2.457003 ESP Fit Center 2227 is at -1.194775 -4.100538 -2.457003 ESP Fit Center 2228 is at -0.835335 -3.893015 -2.457003 ESP Fit Center 2229 is at -0.533442 -3.608193 -2.457003 ESP Fit Center 2230 is at -0.305370 -3.261428 -2.457003 ESP Fit Center 2231 is at -0.163416 -2.871412 -2.457003 ESP Fit Center 2232 is at -0.393713 -2.459173 -2.762481 ESP Fit Center 2233 is at -0.454841 -2.034016 -2.762481 ESP Fit Center 2234 is at -0.633274 -1.643304 -2.762481 ESP Fit Center 2235 is at -0.914555 -1.318688 -2.762481 ESP Fit Center 2236 is at -1.275897 -1.086467 -2.762481 ESP Fit Center 2237 is at -1.688027 -0.965455 -2.762481 ESP Fit Center 2238 is at -3.172308 -3.275042 -2.762481 ESP Fit Center 2239 is at -2.891027 -3.599658 -2.762481 ESP Fit Center 2240 is at -2.529685 -3.831879 -2.762481 ESP Fit Center 2241 is at -2.117555 -3.952891 -2.762481 ESP Fit Center 2242 is at -1.688027 -3.952891 -2.762481 ESP Fit Center 2243 is at -1.275897 -3.831879 -2.762481 ESP Fit Center 2244 is at -0.914555 -3.599658 -2.762481 ESP Fit Center 2245 is at -0.633274 -3.275042 -2.762481 ESP Fit Center 2246 is at -0.454841 -2.884329 -2.762481 ESP Fit Center 2247 is at -0.723583 -2.459173 -3.011588 ESP Fit Center 2248 is at -0.803212 -2.033194 -3.011588 ESP Fit Center 2249 is at -1.031346 -1.664746 -3.011588 ESP Fit Center 2250 is at -1.377173 -1.403589 -3.011588 ESP Fit Center 2251 is at -1.793987 -1.284995 -3.011588 ESP Fit Center 2252 is at -2.225497 -1.324980 -3.011588 ESP Fit Center 2253 is at -3.061921 -2.242494 -3.011588 ESP Fit Center 2254 is at -3.061921 -2.675852 -3.011588 ESP Fit Center 2255 is at -2.905374 -3.079946 -3.011588 ESP Fit Center 2256 is at -2.613423 -3.400201 -3.011588 ESP Fit Center 2257 is at -2.225497 -3.593365 -3.011588 ESP Fit Center 2258 is at -1.793987 -3.633351 -3.011588 ESP Fit Center 2259 is at -1.377173 -3.514757 -3.011588 ESP Fit Center 2260 is at -1.031346 -3.253600 -3.011588 ESP Fit Center 2261 is at -0.803212 -2.885152 -3.011588 ESP Fit Center 2262 is at -1.093610 -2.459173 -3.195839 ESP Fit Center 2263 is at -1.202019 -2.054582 -3.195839 ESP Fit Center 2264 is at -1.498200 -1.758401 -3.195839 ESP Fit Center 2265 is at -1.902791 -1.649992 -3.195839 ESP Fit Center 2266 is at -2.307382 -1.758401 -3.195839 ESP Fit Center 2267 is at -2.603563 -2.054582 -3.195839 ESP Fit Center 2268 is at -2.711972 -2.459173 -3.195839 ESP Fit Center 2269 is at -2.603563 -2.863764 -3.195839 ESP Fit Center 2270 is at -2.307382 -3.159944 -3.195839 ESP Fit Center 2271 is at -1.902791 -3.268354 -3.195839 ESP Fit Center 2272 is at -1.498200 -3.159944 -3.195839 ESP Fit Center 2273 is at -1.202019 -2.863764 -3.195839 ESP Fit Center 2274 is at -1.491192 -2.459173 -3.308961 ESP Fit Center 2275 is at -1.696992 -2.102718 -3.308961 ESP Fit Center 2276 is at -2.108591 -2.102718 -3.308961 ESP Fit Center 2277 is at -2.314390 -2.459173 -3.308961 ESP Fit Center 2278 is at -2.108591 -2.815628 -3.308961 ESP Fit Center 2279 is at -1.696992 -2.815628 -3.308961 ESP Fit Center 2280 is at -1.902791 -2.459173 -3.347101 ESP Fit Center 2281 is at 3.349345 0.639021 2.448648 ESP Fit Center 2282 is at 3.766101 0.639021 2.412187 ESP Fit Center 2283 is at 3.557723 0.999942 2.412187 ESP Fit Center 2284 is at 3.140968 0.999942 2.412187 ESP Fit Center 2285 is at 2.932590 0.639021 2.412187 ESP Fit Center 2286 is at 3.140968 0.278100 2.412187 ESP Fit Center 2287 is at 3.557723 0.278100 2.412187 ESP Fit Center 2288 is at 4.170194 0.639021 2.303911 ESP Fit Center 2289 is at 4.060221 1.049446 2.303911 ESP Fit Center 2290 is at 3.759770 1.349897 2.303911 ESP Fit Center 2291 is at 3.349345 1.459870 2.303911 ESP Fit Center 2292 is at 2.938921 1.349897 2.303911 ESP Fit Center 2293 is at 2.638470 0.228597 2.303911 ESP Fit Center 2294 is at 2.938921 -0.071854 2.303911 ESP Fit Center 2295 is at 3.349345 -0.181827 2.303911 ESP Fit Center 2296 is at 3.759770 -0.071854 2.303911 ESP Fit Center 2297 is at 4.060221 0.228597 2.303911 ESP Fit Center 2298 is at 4.549345 0.639021 2.127109 ESP Fit Center 2299 is at 4.476977 1.049446 2.127109 ESP Fit Center 2300 is at 4.268599 1.410366 2.127109 ESP Fit Center 2301 is at 3.949345 1.678252 2.127109 ESP Fit Center 2302 is at 3.557723 1.820791 2.127109 ESP Fit Center 2303 is at 3.140968 1.820791 2.127109 ESP Fit Center 2304 is at 2.749345 -0.400209 2.127109 ESP Fit Center 2305 is at 4.476977 0.228597 2.127109 ESP Fit Center 2306 is at 4.402314 1.766475 1.887155 ESP Fit Center 2307 is at 4.059083 2.008753 1.887155 ESP Fit Center 2308 is at 3.663215 2.149445 1.887155 ESP Fit Center 2309 is at 3.244069 2.178115 1.887155 ESP Fit Center 2310 is at 4.447226 2.113730 1.591339 ESP Fit Center 2311 is at 4.077541 2.327168 1.591339 ESP Fit Center 2312 is at 3.668599 2.449597 1.591339 ESP Fit Center 2313 is at 4.448777 2.402895 1.248648 ESP Fit Center 2314 is at 4.071206 2.588103 1.248648 ESP Fit Center 2315 is at 4.286215 2.690480 0.869497 ESP Fit Center 2316 is at 4.469352 2.720343 0.465404 ESP Fit Center 2317 is at 4.549345 2.717482 0.048648 ESP Fit Center 2318 is at 4.469352 2.720343 -0.368107 ESP Fit Center 2319 is at 4.657526 2.476104 -0.772200 ESP Fit Center 2320 is at 4.286215 2.690480 -0.772200 ESP Fit Center 2321 is at 4.781336 2.145475 -1.151352 ESP Fit Center 2322 is at 4.448777 2.402895 -1.151352 ESP Fit Center 2323 is at 4.071206 2.588103 -1.151352 ESP Fit Center 2324 is at 4.757723 1.820791 -1.494042 ESP Fit Center 2325 is at 4.447226 2.113730 -1.494042 ESP Fit Center 2326 is at 4.077541 2.327168 -1.494042 ESP Fit Center 2327 is at 3.668599 2.449597 -1.494042 ESP Fit Center 2328 is at 4.834829 1.055234 -1.789858 ESP Fit Center 2329 is at 4.667450 1.440578 -1.789858 ESP Fit Center 2330 is at 4.402314 1.766475 -1.789858 ESP Fit Center 2331 is at 4.059083 2.008753 -1.789858 ESP Fit Center 2332 is at 3.663215 2.149445 -1.789858 ESP Fit Center 2333 is at 3.244069 2.178115 -1.789858 ESP Fit Center 2334 is at 4.549345 0.639021 -2.029812 ESP Fit Center 2335 is at 4.476977 1.049446 -2.029812 ESP Fit Center 2336 is at 4.268599 1.410366 -2.029812 ESP Fit Center 2337 is at 3.949345 1.678252 -2.029812 ESP Fit Center 2338 is at 3.557723 1.820791 -2.029812 ESP Fit Center 2339 is at 3.140968 1.820791 -2.029812 ESP Fit Center 2340 is at 4.170194 0.639021 -2.206614 ESP Fit Center 2341 is at 4.060221 1.049446 -2.206614 ESP Fit Center 2342 is at 3.759770 1.349897 -2.206614 ESP Fit Center 2343 is at 3.349345 1.459870 -2.206614 ESP Fit Center 2344 is at 2.938921 1.349897 -2.206614 ESP Fit Center 2345 is at 2.638470 0.228597 -2.206614 ESP Fit Center 2346 is at 3.766101 0.639021 -2.314890 ESP Fit Center 2347 is at 3.557723 0.999942 -2.314890 ESP Fit Center 2348 is at 3.140968 0.999942 -2.314890 ESP Fit Center 2349 is at 2.932590 0.639021 -2.314890 ESP Fit Center 2350 is at 3.140968 0.278100 -2.314890 ESP Fit Center 2351 is at 3.557723 0.278100 -2.314890 ESP Fit Center 2352 is at 3.349345 0.639021 -2.351352 ESP Fit Center 2353 is at 0.189800 3.864325 2.257100 ESP Fit Center 2354 is at 0.601399 3.864325 2.218960 ESP Fit Center 2355 is at 0.395600 4.220780 2.218960 ESP Fit Center 2356 is at -0.015999 4.220780 2.218960 ESP Fit Center 2357 is at -0.221798 3.864325 2.218960 ESP Fit Center 2358 is at 0.998982 3.864325 2.105838 ESP Fit Center 2359 is at 0.890572 4.268916 2.105838 ESP Fit Center 2360 is at 0.594391 4.565096 2.105838 ESP Fit Center 2361 is at 0.189800 4.673506 2.105838 ESP Fit Center 2362 is at -0.214790 4.565096 2.105838 ESP Fit Center 2363 is at -0.510971 4.268916 2.105838 ESP Fit Center 2364 is at -0.619381 3.864325 2.105838 ESP Fit Center 2365 is at 1.369008 3.864325 1.921586 ESP Fit Center 2366 is at 1.289379 4.290304 1.921586 ESP Fit Center 2367 is at 1.061246 4.658752 1.921586 ESP Fit Center 2368 is at 0.715419 4.919909 1.921586 ESP Fit Center 2369 is at 0.298604 5.038503 1.921586 ESP Fit Center 2370 is at -0.132905 4.998517 1.921586 ESP Fit Center 2371 is at -0.520831 4.805353 1.921586 ESP Fit Center 2372 is at -0.812782 4.485098 1.921586 ESP Fit Center 2373 is at -0.969329 4.081004 1.921586 ESP Fit Center 2374 is at -0.969329 3.647646 1.921586 ESP Fit Center 2375 is at 1.637750 4.289481 1.672480 ESP Fit Center 2376 is at 1.459318 4.680194 1.672480 ESP Fit Center 2377 is at 1.178037 5.004810 1.672480 ESP Fit Center 2378 is at 0.816694 5.237031 1.672480 ESP Fit Center 2379 is at 0.404565 5.358043 1.672480 ESP Fit Center 2380 is at -0.024964 5.358043 1.672480 ESP Fit Center 2381 is at -0.437093 5.237031 1.672480 ESP Fit Center 2382 is at -0.798436 5.004810 1.672480 ESP Fit Center 2383 is at -1.079717 4.680194 1.672480 ESP Fit Center 2384 is at -1.258150 4.289481 1.672480 ESP Fit Center 2385 is at -1.319278 3.864325 1.672480 ESP Fit Center 2386 is at -1.258150 3.439168 1.672480 ESP Fit Center 2387 is at 1.929175 4.276564 1.367002 ESP Fit Center 2388 is at 1.787221 4.666580 1.367002 ESP Fit Center 2389 is at 1.559150 5.013345 1.367002 ESP Fit Center 2390 is at 1.257256 5.298167 1.367002 ESP Fit Center 2391 is at 0.897816 5.505690 1.367002 ESP Fit Center 2392 is at 0.500207 5.624726 1.367002 ESP Fit Center 2393 is at 0.085863 5.648859 1.367002 ESP Fit Center 2394 is at -0.322877 5.576787 1.367002 ESP Fit Center 2395 is at -0.703979 5.412396 1.367002 ESP Fit Center 2396 is at -1.036897 5.164548 1.367002 ESP Fit Center 2397 is at -1.303683 4.846604 1.367002 ESP Fit Center 2398 is at -1.489955 4.475706 1.367002 ESP Fit Center 2399 is at -1.585671 4.071848 1.367002 ESP Fit Center 2400 is at -1.585671 3.656802 1.367002 ESP Fit Center 2401 is at 2.021611 4.679899 1.015554 ESP Fit Center 2402 is at 1.812014 5.042932 1.015554 ESP Fit Center 2403 is at 1.531518 5.354453 1.015554 ESP Fit Center 2404 is at 1.192383 5.600849 1.015554 ESP Fit Center 2405 is at 0.809431 5.771351 1.015554 ESP Fit Center 2406 is at 0.399397 5.858506 1.015554 ESP Fit Center 2407 is at -0.019796 5.858506 1.015554 ESP Fit Center 2408 is at -0.429830 5.771351 1.015554 ESP Fit Center 2409 is at -0.812782 5.600849 1.015554 ESP Fit Center 2410 is at -1.151917 5.354453 1.015554 ESP Fit Center 2411 is at -1.432413 5.042932 1.015554 ESP Fit Center 2412 is at -1.642010 4.679899 1.015554 ESP Fit Center 2413 is at -1.771548 4.281222 1.015554 ESP Fit Center 2414 is at -1.815365 3.864325 1.015554 ESP Fit Center 2415 is at 2.180289 4.688812 0.630105 ESP Fit Center 2416 is at 1.981193 5.061295 0.630105 ESP Fit Center 2417 is at 1.713255 5.387779 0.630105 ESP Fit Center 2418 is at 1.386771 5.655717 0.630105 ESP Fit Center 2419 is at 1.014288 5.854814 0.630105 ESP Fit Center 2420 is at 0.610120 5.977416 0.630105 ESP Fit Center 2421 is at 0.189800 6.018814 0.630105 ESP Fit Center 2422 is at -0.230520 5.977416 0.630105 ESP Fit Center 2423 is at -0.634687 5.854814 0.630105 ESP Fit Center 2424 is at -1.007170 5.655717 0.630105 ESP Fit Center 2425 is at -1.333654 5.387779 0.630105 ESP Fit Center 2426 is at -1.601592 5.061295 0.630105 ESP Fit Center 2427 is at -1.800688 4.688812 0.630105 ESP Fit Center 2428 is at -1.923291 4.284645 0.630105 ESP Fit Center 2429 is at 2.066170 5.070194 0.223781 ESP Fit Center 2430 is at 1.804049 5.403508 0.223781 ESP Fit Center 2431 is at 1.483585 5.681191 0.223781 ESP Fit Center 2432 is at 1.116361 5.893209 0.223781 ESP Fit Center 2433 is at 0.715648 6.031897 0.223781 ESP Fit Center 2434 is at 0.295929 6.092243 0.223781 ESP Fit Center 2435 is at -0.127625 6.072067 0.223781 ESP Fit Center 2436 is at -0.539707 5.972097 0.223781 ESP Fit Center 2437 is at -0.925422 5.795947 0.223781 ESP Fit Center 2438 is at -1.270830 5.549982 0.223781 ESP Fit Center 2439 is at -1.563447 5.243094 0.223781 ESP Fit Center 2440 is at -1.792698 4.886374 0.223781 ESP Fit Center 2441 is at -1.950295 4.492714 0.223781 ESP Fit Center 2442 is at -2.030544 4.076342 0.223781 ESP Fit Center 2443 is at 2.066170 5.070194 -0.189581 ESP Fit Center 2444 is at 1.804049 5.403508 -0.189581 ESP Fit Center 2445 is at 1.483585 5.681191 -0.189581 ESP Fit Center 2446 is at 1.116361 5.893209 -0.189581 ESP Fit Center 2447 is at 0.715648 6.031897 -0.189581 ESP Fit Center 2448 is at 0.295929 6.092243 -0.189581 ESP Fit Center 2449 is at -0.127625 6.072067 -0.189581 ESP Fit Center 2450 is at -0.539707 5.972097 -0.189581 ESP Fit Center 2451 is at -0.925422 5.795947 -0.189581 ESP Fit Center 2452 is at -1.270830 5.549982 -0.189581 ESP Fit Center 2453 is at -1.563447 5.243094 -0.189581 ESP Fit Center 2454 is at -1.792698 4.886374 -0.189581 ESP Fit Center 2455 is at -1.950295 4.492714 -0.189581 ESP Fit Center 2456 is at -2.030544 4.076342 -0.189581 ESP Fit Center 2457 is at 2.180289 4.688812 -0.595905 ESP Fit Center 2458 is at 1.981193 5.061295 -0.595905 ESP Fit Center 2459 is at 1.713255 5.387779 -0.595905 ESP Fit Center 2460 is at 1.386771 5.655717 -0.595905 ESP Fit Center 2461 is at 1.014288 5.854814 -0.595905 ESP Fit Center 2462 is at 0.610120 5.977416 -0.595905 ESP Fit Center 2463 is at 0.189800 6.018814 -0.595905 ESP Fit Center 2464 is at -0.230520 5.977416 -0.595905 ESP Fit Center 2465 is at -0.634687 5.854814 -0.595905 ESP Fit Center 2466 is at -1.007170 5.655717 -0.595905 ESP Fit Center 2467 is at -1.333654 5.387779 -0.595905 ESP Fit Center 2468 is at -1.601592 5.061295 -0.595905 ESP Fit Center 2469 is at -1.800688 4.688812 -0.595905 ESP Fit Center 2470 is at -1.923291 4.284645 -0.595905 ESP Fit Center 2471 is at 2.021611 4.679899 -0.981354 ESP Fit Center 2472 is at 1.812014 5.042932 -0.981354 ESP Fit Center 2473 is at 1.531518 5.354453 -0.981354 ESP Fit Center 2474 is at 1.192383 5.600849 -0.981354 ESP Fit Center 2475 is at 0.809431 5.771351 -0.981354 ESP Fit Center 2476 is at 0.399397 5.858506 -0.981354 ESP Fit Center 2477 is at -0.019796 5.858506 -0.981354 ESP Fit Center 2478 is at -0.429830 5.771351 -0.981354 ESP Fit Center 2479 is at -0.812782 5.600849 -0.981354 ESP Fit Center 2480 is at -1.151917 5.354453 -0.981354 ESP Fit Center 2481 is at -1.432413 5.042932 -0.981354 ESP Fit Center 2482 is at -1.642010 4.679899 -0.981354 ESP Fit Center 2483 is at -1.771548 4.281222 -0.981354 ESP Fit Center 2484 is at -1.815365 3.864325 -0.981354 ESP Fit Center 2485 is at 1.929175 4.276564 -1.332802 ESP Fit Center 2486 is at 1.787221 4.666580 -1.332802 ESP Fit Center 2487 is at 1.559150 5.013345 -1.332802 ESP Fit Center 2488 is at 1.257256 5.298167 -1.332802 ESP Fit Center 2489 is at 0.897816 5.505690 -1.332802 ESP Fit Center 2490 is at 0.500207 5.624726 -1.332802 ESP Fit Center 2491 is at 0.085863 5.648859 -1.332802 ESP Fit Center 2492 is at -0.322877 5.576787 -1.332802 ESP Fit Center 2493 is at -0.703979 5.412396 -1.332802 ESP Fit Center 2494 is at -1.036897 5.164548 -1.332802 ESP Fit Center 2495 is at -1.303683 4.846604 -1.332802 ESP Fit Center 2496 is at -1.489955 4.475706 -1.332802 ESP Fit Center 2497 is at -1.585671 4.071848 -1.332802 ESP Fit Center 2498 is at -1.585671 3.656802 -1.332802 ESP Fit Center 2499 is at 1.637750 4.289481 -1.638280 ESP Fit Center 2500 is at 1.459318 4.680194 -1.638280 ESP Fit Center 2501 is at 1.178037 5.004810 -1.638280 ESP Fit Center 2502 is at 0.816694 5.237031 -1.638280 ESP Fit Center 2503 is at 0.404565 5.358043 -1.638280 ESP Fit Center 2504 is at -0.024964 5.358043 -1.638280 ESP Fit Center 2505 is at -0.437093 5.237031 -1.638280 ESP Fit Center 2506 is at -0.798436 5.004810 -1.638280 ESP Fit Center 2507 is at -1.079717 4.680194 -1.638280 ESP Fit Center 2508 is at -1.258150 4.289481 -1.638280 ESP Fit Center 2509 is at -1.319278 3.864325 -1.638280 ESP Fit Center 2510 is at -1.258150 3.439168 -1.638280 ESP Fit Center 2511 is at 1.369008 3.864325 -1.887386 ESP Fit Center 2512 is at 1.289379 4.290304 -1.887386 ESP Fit Center 2513 is at 1.061246 4.658752 -1.887386 ESP Fit Center 2514 is at 0.715419 4.919909 -1.887386 ESP Fit Center 2515 is at 0.298604 5.038503 -1.887386 ESP Fit Center 2516 is at -0.132905 4.998517 -1.887386 ESP Fit Center 2517 is at -0.520831 4.805353 -1.887386 ESP Fit Center 2518 is at -0.812782 4.485098 -1.887386 ESP Fit Center 2519 is at -0.969329 4.081004 -1.887386 ESP Fit Center 2520 is at -0.969329 3.647646 -1.887386 ESP Fit Center 2521 is at 0.998982 3.864325 -2.071638 ESP Fit Center 2522 is at 0.890572 4.268916 -2.071638 ESP Fit Center 2523 is at 0.594391 4.565096 -2.071638 ESP Fit Center 2524 is at 0.189800 4.673506 -2.071638 ESP Fit Center 2525 is at -0.214790 4.565096 -2.071638 ESP Fit Center 2526 is at -0.510971 4.268916 -2.071638 ESP Fit Center 2527 is at -0.619381 3.864325 -2.071638 ESP Fit Center 2528 is at 0.601399 3.864325 -2.184760 ESP Fit Center 2529 is at 0.395600 4.220780 -2.184760 ESP Fit Center 2530 is at -0.015999 4.220780 -2.184760 ESP Fit Center 2531 is at -0.221798 3.864325 -2.184760 ESP Fit Center 2532 is at 0.189800 3.864325 -2.222900 ESP Fit Center 2533 is at 0.350646 2.680789 2.417772 ESP Fit Center 2534 is at 0.767402 2.680789 2.381311 ESP Fit Center 2535 is at 0.559024 3.041710 2.381311 ESP Fit Center 2536 is at 0.142268 3.041710 2.381311 ESP Fit Center 2537 is at -0.066110 2.680789 2.381311 ESP Fit Center 2538 is at 0.142268 2.319868 2.381311 ESP Fit Center 2539 is at 0.559024 2.319868 2.381311 ESP Fit Center 2540 is at 1.061522 3.091213 2.273034 ESP Fit Center 2541 is at 0.761070 3.391664 2.273034 ESP Fit Center 2542 is at 0.350646 3.501637 2.273034 ESP Fit Center 2543 is at -0.059778 3.391664 2.273034 ESP Fit Center 2544 is at -0.360229 3.091213 2.273034 ESP Fit Center 2545 is at -0.470202 2.680789 2.273034 ESP Fit Center 2546 is at 0.350646 1.859940 2.273034 ESP Fit Center 2547 is at 0.761070 1.969913 2.273034 ESP Fit Center 2548 is at 1.269899 3.452134 2.096233 ESP Fit Center 2549 is at -0.568607 3.452134 2.096233 ESP Fit Center 2550 is at -0.776985 3.091213 2.096233 ESP Fit Center 2551 is at -1.064327 3.295398 1.856279 ESP Fit Center 2552 is at -1.064327 3.295398 -1.820735 ESP Fit Center 2553 is at 1.269899 3.452134 -2.060689 ESP Fit Center 2554 is at -0.568607 3.452134 -2.060689 ESP Fit Center 2555 is at -0.776985 3.091213 -2.060689 ESP Fit Center 2556 is at 1.061522 3.091213 -2.237490 ESP Fit Center 2557 is at 0.761070 3.391664 -2.237490 ESP Fit Center 2558 is at 0.350646 3.501637 -2.237490 ESP Fit Center 2559 is at -0.059778 3.391664 -2.237490 ESP Fit Center 2560 is at -0.360229 3.091213 -2.237490 ESP Fit Center 2561 is at -0.470202 2.680789 -2.237490 ESP Fit Center 2562 is at 0.350646 1.859940 -2.237490 ESP Fit Center 2563 is at 0.761070 1.969913 -2.237490 ESP Fit Center 2564 is at 0.767402 2.680789 -2.345766 ESP Fit Center 2565 is at 0.559024 3.041710 -2.345766 ESP Fit Center 2566 is at 0.142268 3.041710 -2.345766 ESP Fit Center 2567 is at -0.066110 2.680789 -2.345766 ESP Fit Center 2568 is at 0.142268 2.319868 -2.345766 ESP Fit Center 2569 is at 0.559024 2.319868 -2.345766 ESP Fit Center 2570 is at 0.350646 2.680789 -2.382228 ESP Fit Center 2571 is at -0.608505 1.608443 2.405820 ESP Fit Center 2572 is at -0.191750 1.608443 2.369359 ESP Fit Center 2573 is at -0.400127 1.969364 2.369359 ESP Fit Center 2574 is at -0.816883 1.969364 2.369359 ESP Fit Center 2575 is at -1.025261 1.608443 2.369359 ESP Fit Center 2576 is at -0.816883 1.247522 2.369359 ESP Fit Center 2577 is at -0.400127 1.247522 2.369359 ESP Fit Center 2578 is at 0.212343 1.608443 2.261082 ESP Fit Center 2579 is at -0.608505 2.429291 2.261082 ESP Fit Center 2580 is at -1.018929 2.319318 2.261082 ESP Fit Center 2581 is at -1.319381 2.018867 2.261082 ESP Fit Center 2582 is at -1.319381 1.198019 2.261082 ESP Fit Center 2583 is at -1.018929 0.897567 2.261082 ESP Fit Center 2584 is at 0.102370 1.198019 2.261082 ESP Fit Center 2585 is at -1.208505 2.647673 2.084281 ESP Fit Center 2586 is at -1.208505 2.647673 -2.072641 ESP Fit Center 2587 is at 0.212343 1.608443 -2.249442 ESP Fit Center 2588 is at -0.608505 2.429291 -2.249442 ESP Fit Center 2589 is at -1.018929 2.319318 -2.249442 ESP Fit Center 2590 is at -1.018929 0.897567 -2.249442 ESP Fit Center 2591 is at 0.102370 1.198019 -2.249442 ESP Fit Center 2592 is at -0.191750 1.608443 -2.357718 ESP Fit Center 2593 is at -0.400127 1.969364 -2.357718 ESP Fit Center 2594 is at -0.816883 1.969364 -2.357718 ESP Fit Center 2595 is at -1.025261 1.608443 -2.357718 ESP Fit Center 2596 is at -0.816883 1.247522 -2.357718 ESP Fit Center 2597 is at -0.400127 1.247522 -2.357718 ESP Fit Center 2598 is at -0.608505 1.608443 -2.394180 ESP Fit Center 2599 is at -1.984361 1.637768 2.385467 ESP Fit Center 2600 is at -1.567605 1.637768 2.349005 ESP Fit Center 2601 is at -1.775983 1.998689 2.349005 ESP Fit Center 2602 is at -2.192739 1.998689 2.349005 ESP Fit Center 2603 is at -1.573937 2.348643 2.240729 ESP Fit Center 2604 is at -1.984361 2.458616 2.240729 ESP Fit Center 2605 is at -2.394785 2.348643 2.240729 ESP Fit Center 2606 is at -1.384361 2.676998 2.063928 ESP Fit Center 2607 is at -1.775983 2.819537 2.063928 ESP Fit Center 2608 is at -2.192739 2.819537 2.063928 ESP Fit Center 2609 is at -2.584361 2.676998 2.063928 ESP Fit Center 2610 is at -1.670491 3.148191 1.823973 ESP Fit Center 2611 is at -2.089638 3.176862 1.823973 ESP Fit Center 2612 is at -2.500976 3.091384 1.823973 ESP Fit Center 2613 is at -2.874000 2.898099 1.823973 ESP Fit Center 2614 is at -1.665108 3.448343 1.528157 ESP Fit Center 2615 is at -2.091261 3.473164 1.528157 ESP Fit Center 2616 is at -2.511651 3.399038 1.528157 ESP Fit Center 2617 is at -2.903614 3.229961 1.528157 ESP Fit Center 2618 is at -2.089633 3.713561 1.185467 ESP Fit Center 2619 is at -2.505332 3.649878 1.185467 ESP Fit Center 2620 is at -2.899703 3.503819 1.185467 ESP Fit Center 2621 is at -3.256599 3.281364 1.185467 ESP Fit Center 2622 is at -2.305318 3.870075 0.806315 ESP Fit Center 2623 is at -2.721985 3.768992 0.806315 ESP Fit Center 2624 is at -3.111992 3.590882 0.806315 ESP Fit Center 2625 is at -2.090401 3.998926 0.402222 ESP Fit Center 2626 is at -2.510298 3.942047 0.402222 ESP Fit Center 2627 is at -2.913291 3.811107 0.402222 ESP Fit Center 2628 is at -3.286427 3.610314 0.402222 ESP Fit Center 2629 is at -2.401117 4.001306 -0.014533 ESP Fit Center 2630 is at -2.805209 3.893030 -0.014533 ESP Fit Center 2631 is at -3.184361 3.716229 -0.014533 ESP Fit Center 2632 is at -2.090401 3.998926 -0.431289 ESP Fit Center 2633 is at -2.510298 3.942047 -0.431289 ESP Fit Center 2634 is at -2.913291 3.811107 -0.431289 ESP Fit Center 2635 is at -3.286427 3.610314 -0.431289 ESP Fit Center 2636 is at -2.305318 3.870075 -0.835382 ESP Fit Center 2637 is at -2.721985 3.768992 -0.835382 ESP Fit Center 2638 is at -3.111992 3.590882 -0.835382 ESP Fit Center 2639 is at -2.089633 3.713561 -1.214533 ESP Fit Center 2640 is at -2.505332 3.649878 -1.214533 ESP Fit Center 2641 is at -2.899703 3.503819 -1.214533 ESP Fit Center 2642 is at -3.256599 3.281364 -1.214533 ESP Fit Center 2643 is at -1.665108 3.448343 -1.557223 ESP Fit Center 2644 is at -2.091261 3.473164 -1.557223 ESP Fit Center 2645 is at -2.511651 3.399038 -1.557223 ESP Fit Center 2646 is at -2.903614 3.229961 -1.557223 ESP Fit Center 2647 is at -1.274623 3.007500 -1.853040 ESP Fit Center 2648 is at -1.670491 3.148191 -1.853040 ESP Fit Center 2649 is at -2.089638 3.176862 -1.853040 ESP Fit Center 2650 is at -2.500976 3.091384 -1.853040 ESP Fit Center 2651 is at -2.874000 2.898099 -1.853040 ESP Fit Center 2652 is at -1.384361 2.676998 -2.092994 ESP Fit Center 2653 is at -1.775983 2.819537 -2.092994 ESP Fit Center 2654 is at -2.192739 2.819537 -2.092994 ESP Fit Center 2655 is at -2.584361 2.676998 -2.092994 ESP Fit Center 2656 is at -1.273485 2.048192 -2.269795 ESP Fit Center 2657 is at -1.573937 2.348643 -2.269795 ESP Fit Center 2658 is at -1.984361 2.458616 -2.269795 ESP Fit Center 2659 is at -2.394785 2.348643 -2.269795 ESP Fit Center 2660 is at -1.273485 1.227343 -2.269795 ESP Fit Center 2661 is at -1.567605 1.637768 -2.378072 ESP Fit Center 2662 is at -1.775983 1.998689 -2.378072 ESP Fit Center 2663 is at -2.192739 1.998689 -2.378072 ESP Fit Center 2664 is at -1.062067 -0.112387 2.370329 ESP Fit Center 2665 is at -1.270445 0.347541 2.262052 ESP Fit Center 2666 is at -0.142814 -0.883732 -2.071671 ESP Fit Center 2667 is at -0.449597 -0.473308 -2.248472 ESP Fit Center 2668 is at -0.559570 -0.883732 -2.248472 ESP Fit Center 2669 is at -0.853690 -0.473308 -2.356748 ESP Fit Center 2670 is at -1.062067 -0.112387 -2.356748 ESP Fit Center 2671 is at -1.270445 -0.473308 -2.393210 ESP Fit Center 2672 is at -0.159659 0.318728 2.412536 ESP Fit Center 2673 is at 0.257097 0.318728 2.376075 ESP Fit Center 2674 is at 0.048719 0.679649 2.376075 ESP Fit Center 2675 is at -0.368037 0.679649 2.376075 ESP Fit Center 2676 is at -0.576415 0.318728 2.376075 ESP Fit Center 2677 is at -0.368037 -0.042193 2.376075 ESP Fit Center 2678 is at 0.048719 -0.042193 2.376075 ESP Fit Center 2679 is at 0.551217 0.729153 2.267799 ESP Fit Center 2680 is at 0.250765 1.029604 2.267799 ESP Fit Center 2681 is at -0.870535 0.729153 2.267799 ESP Fit Center 2682 is at -0.980507 0.318728 2.267799 ESP Fit Center 2683 is at -0.159659 -0.502120 2.267799 ESP Fit Center 2684 is at 0.250765 -0.392147 2.267799 ESP Fit Center 2685 is at 0.759594 1.090073 2.090997 ESP Fit Center 2686 is at 0.759594 1.090073 -2.065925 ESP Fit Center 2687 is at 0.048719 -0.863041 -2.065925 ESP Fit Center 2688 is at 0.551217 0.729153 -2.242726 ESP Fit Center 2689 is at 0.250765 1.029604 -2.242726 ESP Fit Center 2690 is at -0.870535 0.729153 -2.242726 ESP Fit Center 2691 is at -0.980507 0.318728 -2.242726 ESP Fit Center 2692 is at -0.159659 -0.502120 -2.242726 ESP Fit Center 2693 is at 0.250765 -0.392147 -2.242726 ESP Fit Center 2694 is at 0.257097 0.318728 -2.351002 ESP Fit Center 2695 is at 0.048719 0.679649 -2.351002 ESP Fit Center 2696 is at -0.368037 0.679649 -2.351002 ESP Fit Center 2697 is at -0.576415 0.318728 -2.351002 ESP Fit Center 2698 is at -0.368037 -0.042193 -2.351002 ESP Fit Center 2699 is at 0.048719 -0.042193 -2.351002 ESP Fit Center 2700 is at -0.159659 0.318728 -2.387464 ESP Fit Center 2701 is at 1.117213 -0.125537 2.434832 ESP Fit Center 2702 is at 1.533968 -0.125537 2.398371 ESP Fit Center 2703 is at 1.325590 0.235384 2.398371 ESP Fit Center 2704 is at 0.908835 0.235384 2.398371 ESP Fit Center 2705 is at 0.700457 -0.125537 2.398371 ESP Fit Center 2706 is at 0.908835 -0.486458 2.398371 ESP Fit Center 2707 is at 1.325590 -0.486458 2.398371 ESP Fit Center 2708 is at 1.938061 -0.125537 2.290094 ESP Fit Center 2709 is at 1.117213 0.695311 2.290094 ESP Fit Center 2710 is at 0.706788 0.585338 2.290094 ESP Fit Center 2711 is at 0.406337 -0.535961 2.290094 ESP Fit Center 2712 is at 0.706788 -0.836413 2.290094 ESP Fit Center 2713 is at 1.117213 -0.946385 2.290094 ESP Fit Center 2714 is at 1.527637 -0.836413 2.290094 ESP Fit Center 2715 is at 1.828088 -0.535961 2.290094 ESP Fit Center 2716 is at 0.517213 -1.164768 2.113293 ESP Fit Center 2717 is at 0.908835 -1.307306 2.113293 ESP Fit Center 2718 is at 1.325590 -1.307306 2.113293 ESP Fit Center 2719 is at 1.717213 -1.164768 2.113293 ESP Fit Center 2720 is at 2.036466 -0.896882 2.113293 ESP Fit Center 2721 is at 2.244844 -0.535961 2.113293 ESP Fit Center 2722 is at 1.011936 -1.664631 1.873339 ESP Fit Center 2723 is at 1.431082 -1.635961 1.873339 ESP Fit Center 2724 is at 1.826950 -1.495269 1.873339 ESP Fit Center 2725 is at 2.170181 -1.252991 1.873339 ESP Fit Center 2726 is at 1.010313 -1.960933 1.577522 ESP Fit Center 2727 is at 1.436466 -1.936113 1.577522 ESP Fit Center 2728 is at 1.845408 -1.813684 1.577522 ESP Fit Center 2729 is at 2.215093 -1.600246 1.577522 ESP Fit Center 2730 is at 1.431949 -2.180030 1.234832 ESP Fit Center 2731 is at 1.839073 -2.074618 1.234832 ESP Fit Center 2732 is at 1.648911 -2.317227 0.855680 ESP Fit Center 2733 is at 1.431949 -2.180030 -1.165168 ESP Fit Center 2734 is at 1.436466 -1.936113 -1.507858 ESP Fit Center 2735 is at 0.227574 -1.385869 -1.803675 ESP Fit Center 2736 is at 0.600597 -1.579154 -1.803675 ESP Fit Center 2737 is at 1.011936 -1.664631 -1.803675 ESP Fit Center 2738 is at 1.431082 -1.635961 -1.803675 ESP Fit Center 2739 is at 1.826950 -1.495269 -1.803675 ESP Fit Center 2740 is at 0.197959 -0.896882 -2.043629 ESP Fit Center 2741 is at 0.517213 -1.164768 -2.043629 ESP Fit Center 2742 is at 0.908835 -1.307306 -2.043629 ESP Fit Center 2743 is at 1.325590 -1.307306 -2.043629 ESP Fit Center 2744 is at 1.717213 -1.164768 -2.043629 ESP Fit Center 2745 is at 2.036466 -0.896882 -2.043629 ESP Fit Center 2746 is at 2.244844 -0.535961 -2.043629 ESP Fit Center 2747 is at 1.938061 -0.125537 -2.220430 ESP Fit Center 2748 is at 1.117213 0.695311 -2.220430 ESP Fit Center 2749 is at 0.706788 0.585338 -2.220430 ESP Fit Center 2750 is at 0.406337 -0.535961 -2.220430 ESP Fit Center 2751 is at 0.706788 -0.836413 -2.220430 ESP Fit Center 2752 is at 1.117213 -0.946385 -2.220430 ESP Fit Center 2753 is at 1.527637 -0.836413 -2.220430 ESP Fit Center 2754 is at 1.828088 -0.535961 -2.220430 ESP Fit Center 2755 is at 1.533968 -0.125537 -2.328707 ESP Fit Center 2756 is at 1.325590 0.235384 -2.328707 ESP Fit Center 2757 is at 0.908835 0.235384 -2.328707 ESP Fit Center 2758 is at 0.700457 -0.125537 -2.328707 ESP Fit Center 2759 is at 0.908835 -0.486458 -2.328707 ESP Fit Center 2760 is at 1.325590 -0.486458 -2.328707 ESP Fit Center 2761 is at 1.117213 -0.125537 -2.365168 ESP Fit Center 2762 is at 1.993345 0.830211 2.435929 ESP Fit Center 2763 is at 2.410100 0.830211 2.399467 ESP Fit Center 2764 is at 2.201722 1.191132 2.399467 ESP Fit Center 2765 is at 1.784967 1.191132 2.399467 ESP Fit Center 2766 is at 1.576589 0.830211 2.399467 ESP Fit Center 2767 is at 1.784967 0.469290 2.399467 ESP Fit Center 2768 is at 2.201722 0.469290 2.399467 ESP Fit Center 2769 is at 2.704220 1.240635 2.291191 ESP Fit Center 2770 is at 2.403769 1.541086 2.291191 ESP Fit Center 2771 is at 1.282469 1.240635 2.291191 ESP Fit Center 2772 is at 1.172496 0.830211 2.291191 ESP Fit Center 2773 is at 1.993345 0.009362 2.291191 ESP Fit Center 2774 is at 2.403769 0.119335 2.291191 ESP Fit Center 2775 is at 0.865713 1.240635 2.114390 ESP Fit Center 2776 is at 2.704220 1.240635 -2.219333 ESP Fit Center 2777 is at 2.403769 1.541086 -2.219333 ESP Fit Center 2778 is at 1.282469 1.240635 -2.219333 ESP Fit Center 2779 is at 1.172496 0.830211 -2.219333 ESP Fit Center 2780 is at 1.993345 0.009362 -2.219333 ESP Fit Center 2781 is at 2.403769 0.119335 -2.219333 ESP Fit Center 2782 is at 2.410100 0.830211 -2.327610 ESP Fit Center 2783 is at 2.201722 1.191132 -2.327610 ESP Fit Center 2784 is at 1.784967 1.191132 -2.327610 ESP Fit Center 2785 is at 1.576589 0.830211 -2.327610 ESP Fit Center 2786 is at 1.784967 0.469290 -2.327610 ESP Fit Center 2787 is at 2.201722 0.469290 -2.327610 ESP Fit Center 2788 is at 1.993345 0.830211 -2.364071 ESP Fit Center 2789 is at 1.648816 2.142575 2.432047 ESP Fit Center 2790 is at 2.065572 2.142575 2.395585 ESP Fit Center 2791 is at 1.857194 2.503496 2.395585 ESP Fit Center 2792 is at 1.440438 2.503496 2.395585 ESP Fit Center 2793 is at 1.232060 2.142575 2.395585 ESP Fit Center 2794 is at 1.440438 1.781654 2.395585 ESP Fit Center 2795 is at 1.857194 1.781654 2.395585 ESP Fit Center 2796 is at 2.469664 2.142575 2.287309 ESP Fit Center 2797 is at 2.359691 2.552999 2.287309 ESP Fit Center 2798 is at 2.059240 2.853451 2.287309 ESP Fit Center 2799 is at 1.648816 2.963424 2.287309 ESP Fit Center 2800 is at 1.238392 2.853451 2.287309 ESP Fit Center 2801 is at 0.937940 1.732151 2.287309 ESP Fit Center 2802 is at 1.238392 1.431700 2.287309 ESP Fit Center 2803 is at 2.359691 1.732151 2.287309 ESP Fit Center 2804 is at 2.848816 2.142575 2.110508 ESP Fit Center 2805 is at 2.776447 2.552999 2.110508 ESP Fit Center 2806 is at 2.568069 2.913920 2.110508 ESP Fit Center 2807 is at 2.248816 3.181806 2.110508 ESP Fit Center 2808 is at 1.857194 3.324344 2.110508 ESP Fit Center 2809 is at 1.440438 3.324344 2.110508 ESP Fit Center 2810 is at 0.729563 1.371230 2.110508 ESP Fit Center 2811 is at 3.134299 2.558788 1.870553 ESP Fit Center 2812 is at 2.966920 2.944132 1.870553 ESP Fit Center 2813 is at 2.358554 3.512307 1.870553 ESP Fit Center 2814 is at 1.962686 3.652999 1.870553 ESP Fit Center 2815 is at 1.543539 3.681669 1.870553 ESP Fit Center 2816 is at 1.968069 3.953151 1.574737 ESP Fit Center 2817 is at 1.968069 3.953151 -1.510644 ESP Fit Center 2818 is at 3.134299 2.558788 -1.806460 ESP Fit Center 2819 is at 2.966920 2.944132 -1.806460 ESP Fit Center 2820 is at 2.701784 3.270029 -1.806460 ESP Fit Center 2821 is at 2.358554 3.512307 -1.806460 ESP Fit Center 2822 is at 1.962686 3.652999 -1.806460 ESP Fit Center 2823 is at 2.848816 2.142575 -2.046414 ESP Fit Center 2824 is at 2.776447 2.552999 -2.046414 ESP Fit Center 2825 is at 2.568069 2.913920 -2.046414 ESP Fit Center 2826 is at 2.248816 3.181806 -2.046414 ESP Fit Center 2827 is at 1.857194 3.324344 -2.046414 ESP Fit Center 2828 is at 1.440438 3.324344 -2.046414 ESP Fit Center 2829 is at 0.729563 1.371230 -2.046414 ESP Fit Center 2830 is at 2.776447 1.732151 -2.046414 ESP Fit Center 2831 is at 2.469664 2.142575 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2850 is at 0.763505 -3.328519 1.080511 ESP Fit Center 2851 is at 1.043303 -3.005616 1.080511 ESP Fit Center 2852 is at 1.220794 -2.616964 1.080511 ESP Fit Center 2853 is at 0.393900 -3.811498 0.716468 ESP Fit Center 2854 is at 0.763156 -3.617698 0.716468 ESP Fit Center 2855 is at 1.075302 -3.341160 0.716468 ESP Fit Center 2856 is at 1.312198 -2.997957 0.716468 ESP Fit Center 2857 is at 1.460077 -2.608034 0.716468 ESP Fit Center 2858 is at 0.197011 -4.018981 0.310651 ESP Fit Center 2859 is at 0.592653 -3.880540 0.310651 ESP Fit Center 2860 is at 0.947570 -3.657531 0.310651 ESP Fit Center 2861 is at 1.243963 -3.361138 0.310651 ESP Fit Center 2862 is at 1.466972 -3.006221 0.310651 ESP Fit Center 2863 is at 1.605413 -2.610579 0.310651 ESP Fit Center 2864 is at -0.115570 -4.111235 -0.116589 ESP Fit Center 2865 is at 0.294137 -4.044067 -0.116589 ESP Fit Center 2866 is at 0.679827 -3.890394 -0.116589 ESP Fit Center 2867 is at 1.023465 -3.657402 -0.116589 ESP Fit Center 2868 is at 1.308982 -3.355985 -0.116589 ESP Fit Center 2869 is at 1.523028 -3.000238 -0.116589 ESP Fit Center 2870 is at -0.219517 -4.065912 -0.543829 ESP Fit Center 2871 is at 0.197011 -4.018981 -0.543829 ESP Fit Center 2872 is at 0.592653 -3.880540 -0.543829 ESP Fit Center 2873 is at 0.947570 -3.657531 -0.543829 ESP Fit Center 2874 is at 1.243963 -3.361138 -0.543829 ESP Fit Center 2875 is at 1.466972 -3.006221 -0.543829 ESP Fit Center 2876 is at 1.605413 -2.610579 -0.543829 ESP Fit Center 2877 is at -0.011005 -3.911299 -0.949646 ESP Fit Center 2878 is at 0.393900 -3.811498 -0.949646 ESP Fit Center 2879 is at 0.763156 -3.617698 -0.949646 ESP Fit Center 2880 is at 1.075302 -3.341160 -0.949646 ESP Fit Center 2881 is at 1.312198 -2.997957 -0.949646 ESP Fit Center 2882 is at 1.460077 -2.608034 -0.949646 ESP Fit Center 2883 is at 1.281599 -2.194051 -1.313689 ESP Fit Center 2884 is at -0.005886 -3.679888 -1.313689 ESP Fit Center 2885 is at 0.404069 -3.559514 -1.313689 ESP Fit Center 2886 is at 0.763505 -3.328519 -1.313689 ESP Fit Center 2887 is at 1.043303 -3.005616 -1.313689 ESP Fit Center 2888 is at 1.220794 -2.616964 -1.313689 ESP Fit Center 2889 is at 0.977583 -2.194051 -1.617705 ESP Fit Center 2890 is at 0.379033 -3.230770 -1.617705 ESP Fit Center 2891 is at 0.697515 -2.963532 -1.617705 ESP Fit Center 2892 is at 0.905389 -2.603483 -1.617705 ESP Fit Center 2893 is at 0.613540 -2.194051 -1.846449 ESP Fit Center 2894 is at 0.501931 -1.777523 -1.846449 ESP Fit Center 2895 is at 0.197011 -2.915499 -1.846449 ESP Fit Center 2896 is at 0.501931 -2.610579 -1.846449 ESP Fit Center 2897 is at 0.207723 -2.194051 -1.988451 ESP Fit Center 2898 is at -2.109982 -4.316161 3.014344 ESP Fit Center 2899 is at -1.693454 -4.427769 3.014344 ESP Fit Center 2900 is at -1.276925 -4.316161 3.014344 ESP Fit Center 2901 is at -0.972006 -4.011241 3.014344 ESP Fit Center 2902 is at -2.610486 -4.364194 2.785600 ESP Fit Center 2903 is at -2.292004 -4.631432 2.785600 ESP Fit Center 2904 is at -1.901328 -4.773626 2.785600 ESP Fit Center 2905 is at -1.485580 -4.773626 2.785600 ESP Fit Center 2906 is at -1.094904 -4.631432 2.785600 ESP Fit Center 2907 is at -0.776422 -4.364194 2.785600 ESP Fit Center 2908 is at -0.568547 -4.004145 2.785600 ESP Fit Center 2909 is at -2.956273 -4.406277 2.481584 ESP Fit Center 2910 is at -2.676476 -4.729181 2.481584 ESP Fit Center 2911 is at -2.317040 -4.960176 2.481584 ESP Fit Center 2912 is at -1.907085 -5.080550 2.481584 ESP Fit Center 2913 is at -1.479823 -5.080550 2.481584 ESP Fit Center 2914 is at -1.069868 -4.960176 2.481584 ESP Fit Center 2915 is at -0.710432 -4.729181 2.481584 ESP Fit Center 2916 is at -0.430634 -4.406277 2.481584 ESP Fit Center 2917 is at -0.253143 -4.017626 2.481584 ESP Fit Center 2918 is at -3.225169 -4.398619 2.117540 ESP Fit Center 2919 is at -2.988273 -4.741822 2.117540 ESP Fit Center 2920 is at -2.676126 -5.018359 2.117540 ESP Fit Center 2921 is at -2.306871 -5.212160 2.117540 ESP Fit Center 2922 is at -1.901965 -5.311960 2.117540 ESP Fit Center 2923 is at -1.484942 -5.311960 2.117540 ESP Fit Center 2924 is at -1.080037 -5.212160 2.117540 ESP Fit Center 2925 is at -0.710781 -5.018359 2.117540 ESP Fit Center 2926 is at -0.398635 -4.741822 2.117540 ESP Fit Center 2927 is at -0.161739 -4.398619 2.117540 ESP Fit Center 2928 is at -0.013860 -4.008695 2.117540 ESP Fit Center 2929 is at -3.379943 -4.406883 1.711724 ESP Fit Center 2930 is at -3.156934 -4.761799 1.711724 ESP Fit Center 2931 is at -2.860540 -5.058193 1.711724 ESP Fit Center 2932 is at -2.505624 -5.281201 1.711724 ESP Fit Center 2933 is at -2.109982 -5.419643 1.711724 ESP Fit Center 2934 is at -1.693454 -5.466574 1.711724 ESP Fit Center 2935 is at -1.276925 -5.419643 1.711724 ESP Fit Center 2936 is at -0.881284 -5.281201 1.711724 ESP Fit Center 2937 is at -0.526367 -5.058193 1.711724 ESP Fit Center 2938 is at -0.229974 -4.761799 1.711724 ESP Fit Center 2939 is at -0.006965 -4.406883 1.711724 ESP Fit Center 2940 is at 0.131476 -4.011241 1.711724 ESP Fit Center 2941 is at -3.512948 -4.207771 1.284483 ESP Fit Center 2942 is at -3.338620 -4.584576 1.284483 ESP Fit Center 2943 is at -3.087365 -4.915095 1.284483 ESP Fit Center 2944 is at -2.770933 -5.183875 1.284483 ESP Fit Center 2945 is at -2.404119 -5.378348 1.284483 ESP Fit Center 2946 is at -2.004075 -5.489419 1.284483 ESP Fit Center 2947 is at -1.589507 -5.511897 1.284483 ESP Fit Center 2948 is at -1.179799 -5.444728 1.284483 ESP Fit Center 2949 is at -0.794110 -5.291056 1.284483 ESP Fit Center 2950 is at -0.450472 -5.058064 1.284483 ESP Fit Center 2951 is at -0.164955 -4.756647 1.284483 ESP Fit Center 2952 is at 0.049091 -4.400900 1.284483 ESP Fit Center 2953 is at 0.181658 -4.007456 1.284483 ESP Fit Center 2954 is at -3.379943 -4.406883 0.857243 ESP Fit Center 2955 is at -3.156934 -4.761799 0.857243 ESP Fit Center 2956 is at -2.860540 -5.058193 0.857243 ESP Fit Center 2957 is at -2.505624 -5.281201 0.857243 ESP Fit Center 2958 is at -2.109982 -5.419643 0.857243 ESP Fit Center 2959 is at -1.693454 -5.466574 0.857243 ESP Fit Center 2960 is at -1.276925 -5.419643 0.857243 ESP Fit Center 2961 is at -0.881284 -5.281201 0.857243 ESP Fit Center 2962 is at -0.526367 -5.058193 0.857243 ESP Fit Center 2963 is at -0.229974 -4.761799 0.857243 ESP Fit Center 2964 is at -0.006965 -4.406883 0.857243 ESP Fit Center 2965 is at 0.131476 -4.011241 0.857243 ESP Fit Center 2966 is at -3.225169 -4.398619 0.451427 ESP Fit Center 2967 is at -2.988273 -4.741822 0.451427 ESP Fit Center 2968 is at -2.676126 -5.018359 0.451427 ESP Fit Center 2969 is at -2.306871 -5.212160 0.451427 ESP Fit Center 2970 is at -1.901965 -5.311960 0.451427 ESP Fit Center 2971 is at -1.484942 -5.311960 0.451427 ESP Fit Center 2972 is at -1.080037 -5.212160 0.451427 ESP Fit Center 2973 is at -0.710781 -5.018359 0.451427 ESP Fit Center 2974 is at -0.398635 -4.741822 0.451427 ESP Fit Center 2975 is at -0.161739 -4.398619 0.451427 ESP Fit Center 2976 is at -2.956273 -4.406277 0.087383 ESP Fit Center 2977 is at 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-0.964597 3.644981 ESP Fit Center 3014 is at -1.777114 -1.106791 3.644981 ESP Fit Center 3015 is at -2.095596 -1.374030 3.644981 ESP Fit Center 3016 is at -2.303470 -1.734078 3.644981 ESP Fit Center 3017 is at -2.375664 -2.143511 3.644981 ESP Fit Center 3018 is at -1.777114 -3.180230 3.644981 ESP Fit Center 3019 is at -1.386438 -3.322425 3.644981 ESP Fit Center 3020 is at -0.970689 -3.322425 3.644981 ESP Fit Center 3021 is at -0.580014 -3.180230 3.644981 ESP Fit Center 3022 is at -0.261532 -2.912992 3.644981 ESP Fit Center 3023 is at -0.053657 -2.552943 3.644981 ESP Fit Center 3024 is at 0.322553 -2.143511 3.340965 ESP Fit Center 3025 is at 0.261747 -1.720597 3.340965 ESP Fit Center 3026 is at 0.084256 -1.331946 3.340965 ESP Fit Center 3027 is at -0.195542 -1.009043 3.340965 ESP Fit Center 3028 is at -0.554977 -0.778047 3.340965 ESP Fit Center 3029 is at -0.964933 -0.657674 3.340965 ESP Fit Center 3030 is at -1.392195 -0.657674 3.340965 ESP Fit Center 3031 is at -1.802150 -0.778047 3.340965 ESP Fit Center 3032 is at -2.161586 -1.009043 3.340965 ESP Fit Center 3033 is at -2.441383 -1.331946 3.340965 ESP Fit Center 3034 is at -0.964933 -3.629348 3.340965 ESP Fit Center 3035 is at -0.554977 -3.508974 3.340965 ESP Fit Center 3036 is at -0.195542 -3.277979 3.340965 ESP Fit Center 3037 is at 0.084256 -2.955076 3.340965 ESP Fit Center 3038 is at 0.261747 -2.566424 3.340965 ESP Fit Center 3039 is at 0.551296 -2.143511 2.976922 ESP Fit Center 3040 is at 0.501030 -1.729528 2.976922 ESP Fit Center 3041 is at 0.353151 -1.339605 2.976922 ESP Fit Center 3042 is at 0.116255 -0.996401 2.976922 ESP Fit Center 3043 is at -0.195891 -0.719864 2.976922 ESP Fit Center 3044 is at -0.565147 -0.526063 2.976922 ESP Fit Center 3045 is at -0.970052 -0.426263 2.976922 ESP Fit Center 3046 is at -1.387075 -0.426263 2.976922 ESP Fit Center 3047 is at -1.791981 -0.526063 2.976922 ESP Fit Center 3048 is at -0.565147 -3.760958 2.976922 ESP Fit Center 3049 is at -0.195891 -3.567158 2.976922 ESP Fit Center 3050 is at 0.116255 -3.290620 2.976922 ESP Fit Center 3051 is at 0.353151 -2.947417 2.976922 ESP Fit Center 3052 is at 0.501030 -2.557494 2.976922 ESP Fit Center 3053 is at 0.693298 -2.143511 2.571105 ESP Fit Center 3054 is at 0.646366 -1.726982 2.571105 ESP Fit Center 3055 is at 0.507925 -1.331341 2.571105 ESP Fit Center 3056 is at 0.284917 -0.976424 2.571105 ESP Fit Center 3057 is at -0.011477 -0.680031 2.571105 ESP Fit Center 3058 is at -0.366393 -0.457022 2.571105 ESP Fit Center 3059 is at -0.762035 -0.318581 2.571105 ESP Fit Center 3060 is at -1.178564 -0.271649 2.571105 ESP Fit Center 3061 is at -0.011477 -3.606991 2.571105 ESP Fit Center 3062 is at 0.284917 -3.310597 2.571105 ESP Fit Center 3063 is at 0.507925 -2.955681 2.571105 ESP Fit Center 3064 is at 0.646366 -2.560039 2.571105 ESP Fit Center 3065 is at 0.741436 -2.143511 2.143865 ESP Fit Center 3066 is at 0.696548 -1.730768 2.143865 ESP Fit Center 3067 is at 0.563981 -1.337324 2.143865 ESP Fit Center 3068 is at 0.349935 -0.981576 2.143865 ESP Fit Center 3069 is at 0.349935 -3.305445 2.143865 ESP Fit Center 3070 is at 0.563981 -2.949698 2.143865 ESP Fit Center 3071 is at 0.696548 -2.556254 2.143865 ESP Fit Center 3072 is at 0.693298 -2.143511 1.716625 ESP Fit Center 3073 is at 0.646366 -2.560039 1.716625 ESP Fit Center 3074 is at 3.768125 -0.569285 2.333448 ESP Fit Center 3075 is at 4.184881 -0.569285 2.296987 ESP Fit Center 3076 is at 3.976503 -0.208365 2.296987 ESP Fit Center 3077 is at 3.559747 -0.208365 2.296987 ESP Fit Center 3078 is at 3.351369 -0.569285 2.296987 ESP Fit Center 3079 is at 3.559747 -0.930206 2.296987 ESP Fit Center 3080 is at 3.976503 -0.930206 2.296987 ESP Fit Center 3081 is at 4.479000 -0.158861 2.188711 ESP Fit Center 3082 is at 2.947277 -0.569285 2.188711 ESP Fit Center 3083 is at 3.057249 -0.979710 2.188711 ESP Fit Center 3084 is at 3.357701 -1.280161 2.188711 ESP Fit Center 3085 is at 3.768125 -1.390134 2.188711 ESP Fit Center 3086 is at 4.178549 -1.280161 2.188711 ESP Fit Center 3087 is at 2.568125 -0.569285 2.011909 ESP Fit Center 3088 is at 2.640494 -0.979710 2.011909 ESP Fit Center 3089 is at 2.848872 -1.340631 2.011909 ESP Fit Center 3090 is at 3.168125 -1.608516 2.011909 ESP Fit Center 3091 is at 3.559747 -1.751055 2.011909 ESP Fit Center 3092 is at 3.976503 -1.751055 2.011909 ESP Fit Center 3093 is at 2.571443 -1.542859 1.771955 ESP Fit Center 3094 is at 2.878486 -1.829617 1.771955 ESP Fit Center 3095 is at 3.251509 -2.022902 1.771955 ESP Fit Center 3096 is at 3.662848 -2.108379 1.771955 ESP Fit Center 3097 is at 3.240835 -2.330556 1.476139 ESP Fit Center 3098 is at 3.661225 -2.404682 1.476139 ESP Fit Center 3099 is at 3.662848 -2.108379 -1.905058 ESP Fit Center 3100 is at 4.687378 0.202060 -2.145012 ESP Fit Center 3101 is at 4.368125 0.469945 -2.145012 ESP Fit Center 3102 is at 2.640494 -0.158861 -2.145012 ESP Fit Center 3103 is at 2.568125 -0.569285 -2.145012 ESP Fit Center 3104 is at 2.640494 -0.979710 -2.145012 ESP Fit Center 3105 is at 2.848872 -1.340631 -2.145012 ESP Fit Center 3106 is at 3.168125 -1.608516 -2.145012 ESP Fit Center 3107 is at 3.559747 -1.751055 -2.145012 ESP Fit Center 3108 is at 3.976503 -1.751055 -2.145012 ESP Fit Center 3109 is at 4.479000 -0.158861 -2.321814 ESP Fit Center 3110 is at 4.178549 0.141590 -2.321814 ESP Fit Center 3111 is at 3.768125 0.251563 -2.321814 ESP Fit Center 3112 is at 3.357701 0.141590 -2.321814 ESP Fit Center 3113 is at 3.057249 -0.158861 -2.321814 ESP Fit Center 3114 is at 2.947277 -0.569285 -2.321814 ESP Fit Center 3115 is at 3.057249 -0.979710 -2.321814 ESP Fit Center 3116 is at 3.357701 -1.280161 -2.321814 ESP Fit Center 3117 is at 3.768125 -1.390134 -2.321814 ESP Fit Center 3118 is at 4.178549 -1.280161 -2.321814 ESP Fit Center 3119 is at 4.184881 -0.569285 -2.430090 ESP Fit Center 3120 is at 3.976503 -0.208365 -2.430090 ESP Fit Center 3121 is at 3.559747 -0.208365 -2.430090 ESP Fit Center 3122 is at 3.351369 -0.569285 -2.430090 ESP Fit Center 3123 is at 3.559747 -0.930206 -2.430090 ESP Fit Center 3124 is at 3.976503 -0.930206 -2.430090 ESP Fit Center 3125 is at 3.768125 -0.569285 -2.466552 ESP Fit Center 3126 is at -4.105650 -0.153885 3.617571 ESP Fit Center 3127 is at -3.693621 -0.153885 3.594432 ESP Fit Center 3128 is at -3.899635 0.202942 3.594432 ESP Fit Center 3129 is at -4.311665 0.202942 3.594432 ESP Fit Center 3130 is at -4.517679 -0.153885 3.594432 ESP Fit Center 3131 is at -4.311665 -0.510713 3.594432 ESP Fit Center 3132 is at -3.899635 -0.510713 3.594432 ESP Fit Center 3133 is at -3.286773 -0.153885 3.525306 ESP Fit Center 3134 is at -3.396482 0.255553 3.525306 ESP Fit Center 3135 is at -3.696212 0.555283 3.525306 ESP Fit Center 3136 is at -4.105650 0.664992 3.525306 ESP Fit Center 3137 is at -4.515089 0.555283 3.525306 ESP Fit Center 3138 is at -4.814818 0.255553 3.525306 ESP Fit Center 3139 is at -4.924527 -0.153885 3.525306 ESP Fit Center 3140 is at -4.814818 -0.563324 3.525306 ESP Fit Center 3141 is at -4.515089 -0.863054 3.525306 ESP Fit Center 3142 is at -4.105650 -0.972762 3.525306 ESP Fit Center 3143 is at -3.696212 -0.863054 3.525306 ESP Fit Center 3144 is at -3.396482 -0.563324 3.525306 ESP Fit Center 3145 is at -2.890223 -0.153885 3.411062 ESP Fit Center 3146 is at -2.963522 0.261815 3.411062 ESP Fit Center 3147 is at -3.174579 0.627376 3.411062 ESP Fit Center 3148 is at -3.497937 0.898705 3.411062 ESP Fit Center 3149 is at -3.894593 1.043076 3.411062 ESP Fit Center 3150 is at -4.316707 1.043076 3.411062 ESP Fit Center 3151 is at -4.713364 0.898705 3.411062 ESP Fit Center 3152 is at -5.036721 0.627376 3.411062 ESP Fit Center 3153 is at -5.247778 0.261815 3.411062 ESP Fit Center 3154 is at -5.321077 -0.153885 3.411062 ESP Fit Center 3155 is at -5.247778 -0.569586 3.411062 ESP Fit Center 3156 is at -5.036721 -0.935147 3.411062 ESP Fit Center 3157 is at -4.713364 -1.206476 3.411062 ESP Fit Center 3158 is at -4.316707 -1.350847 3.411062 ESP Fit Center 3159 is at -3.894593 -1.350847 3.411062 ESP Fit Center 3160 is at -3.497937 -1.206476 3.411062 ESP Fit Center 3161 is at -3.174579 -0.935147 3.411062 ESP Fit Center 3162 is at -2.963522 -0.569586 3.411062 ESP Fit Center 3163 is at -2.508958 -0.153885 3.253136 ESP Fit Center 3164 is at -2.563364 0.259369 3.253136 ESP Fit Center 3165 is at -2.722874 0.644461 3.253136 ESP Fit Center 3166 is at -2.976618 0.975146 3.253136 ESP Fit Center 3167 is at -3.307304 1.228891 3.253136 ESP Fit Center 3168 is at -3.692396 1.388401 3.253136 ESP Fit Center 3169 is at -4.105650 1.442807 3.253136 ESP Fit Center 3170 is at -4.518904 1.388401 3.253136 ESP Fit Center 3171 is at -4.903996 1.228891 3.253136 ESP Fit Center 3172 is at -5.234682 0.975146 3.253136 ESP Fit Center 3173 is at -5.488426 0.644461 3.253136 ESP Fit Center 3174 is at -5.647936 0.259369 3.253136 ESP Fit Center 3175 is at -5.702342 -0.153885 3.253136 ESP Fit Center 3176 is at -5.647936 -0.567140 3.253136 ESP Fit Center 3177 is at -5.488426 -0.952231 3.253136 ESP Fit Center 3178 is at -5.234682 -1.282917 3.253136 ESP Fit Center 3179 is at -4.903996 -1.536661 3.253136 ESP Fit Center 3180 is at -4.518904 -1.696172 3.253136 ESP Fit Center 3181 is at -4.105650 -1.750578 3.253136 ESP Fit Center 3182 is at -3.692396 -1.696172 3.253136 ESP Fit Center 3183 is at -3.307304 -1.536661 3.253136 ESP Fit Center 3184 is at -2.976618 -1.282917 3.253136 ESP Fit Center 3185 is at -2.722874 -0.952231 3.253136 ESP Fit Center 3186 is at -2.563364 -0.567140 3.253136 ESP Fit Center 3187 is at -2.147772 -0.153885 3.053516 ESP Fit Center 3188 is at -2.193546 0.267001 3.053516 ESP Fit Center 3189 is at -2.328728 0.668206 3.053516 ESP Fit Center 3190 is at -2.546997 1.030972 3.053516 ESP Fit Center 3191 is at -2.838147 1.338335 3.053516 ESP Fit Center 3192 is at -3.188563 1.575923 3.053516 ESP Fit Center 3193 is at -3.581862 1.732628 3.053516 ESP Fit Center 3194 is at -3.999653 1.801121 3.053516 ESP Fit Center 3195 is at -4.422399 1.778201 3.053516 ESP Fit Center 3196 is at -4.830335 1.664938 3.053516 ESP Fit Center 3197 is at -5.204386 1.466629 3.053516 ESP Fit Center 3198 is at -5.527061 1.192546 3.053516 ESP Fit Center 3199 is at -5.783272 0.855506 3.053516 ESP Fit Center 3200 is at -5.961039 0.471268 3.053516 ESP Fit Center 3201 is at -6.052051 0.057798 3.053516 ESP Fit Center 3202 is at -6.052051 -0.365569 3.053516 ESP Fit Center 3203 is at -5.961039 -0.779039 3.053516 ESP Fit Center 3204 is at -5.783272 -1.163277 3.053516 ESP Fit Center 3205 is at -5.527061 -1.500317 3.053516 ESP Fit Center 3206 is at -5.204386 -1.774400 3.053516 ESP Fit Center 3207 is at -4.830335 -1.972709 3.053516 ESP Fit Center 3208 is at -4.422399 -2.085971 3.053516 ESP Fit Center 3209 is at -3.999653 -2.108892 3.053516 ESP Fit Center 3210 is at -2.193546 -0.574771 3.053516 ESP Fit Center 3211 is at -1.811208 -0.153885 2.814711 ESP Fit Center 3212 is at -1.850275 0.267717 2.814711 ESP Fit Center 3213 is at -1.966146 0.674963 2.814711 ESP Fit Center 3214 is at -2.154876 1.053983 2.814711 ESP Fit Center 3215 is at -2.410037 1.391871 2.814711 ESP Fit Center 3216 is at -2.722940 1.677119 2.814711 ESP Fit Center 3217 is at -3.082929 1.900015 2.814711 ESP Fit Center 3218 is at -3.477746 2.052968 2.814711 ESP Fit Center 3219 is at -3.893946 2.130769 2.814711 ESP Fit Center 3220 is at -4.317355 2.130769 2.814711 ESP Fit Center 3221 is at -4.733554 2.052968 2.814711 ESP Fit Center 3222 is at -5.128371 1.900015 2.814711 ESP Fit Center 3223 is at -5.488361 1.677119 2.814711 ESP Fit Center 3224 is at -5.801264 1.391871 2.814711 ESP Fit Center 3225 is at -6.056424 1.053983 2.814711 ESP Fit Center 3226 is at -6.245154 0.674963 2.814711 ESP Fit Center 3227 is at -6.361025 0.267717 2.814711 ESP Fit Center 3228 is at -6.400093 -0.153885 2.814711 ESP Fit Center 3229 is at -6.361025 -0.575488 2.814711 ESP Fit Center 3230 is at -6.245154 -0.982734 2.814711 ESP Fit Center 3231 is at -6.056424 -1.361754 2.814711 ESP Fit Center 3232 is at -5.801264 -1.699641 2.814711 ESP Fit Center 3233 is at -5.488361 -1.984890 2.814711 ESP Fit Center 3234 is at -5.128371 -2.207786 2.814711 ESP Fit Center 3235 is at -4.733554 -2.360739 2.814711 ESP Fit Center 3236 is at -4.317355 -2.438540 2.814711 ESP Fit Center 3237 is at -1.503497 -0.153885 2.539724 ESP Fit Center 3238 is at -1.537194 0.263529 2.539724 ESP Fit Center 3239 is at -1.637413 0.670133 2.539724 ESP Fit Center 3240 is at -1.801558 1.055395 2.539724 ESP Fit Center 3241 is at -2.025378 1.409338 2.539724 ESP Fit Center 3242 is at -2.303075 1.722794 2.539724 ESP Fit Center 3243 is at -2.627459 1.987645 2.539724 ESP Fit Center 3244 is at -2.990126 2.197031 2.539724 ESP Fit Center 3245 is at -3.381686 2.345530 2.539724 ESP Fit Center 3246 is at -3.791995 2.429295 2.539724 ESP Fit Center 3247 is at -4.210428 2.446157 2.539724 ESP Fit Center 3248 is at -4.626148 2.395680 2.539724 ESP Fit Center 3249 is at -5.028386 2.279170 2.539724 ESP Fit Center 3250 is at -5.406727 2.099645 2.539724 ESP Fit Center 3251 is at -5.751370 1.861755 2.539724 ESP Fit Center 3252 is at -6.053390 1.571661 2.539724 ESP Fit Center 3253 is at -6.304964 1.236876 2.539724 ESP Fit Center 3254 is at -6.499577 0.866072 2.539724 ESP Fit Center 3255 is at -6.632189 0.468851 2.539724 ESP Fit Center 3256 is at -6.699365 0.055501 2.539724 ESP Fit Center 3257 is at -6.699365 -0.363272 2.539724 ESP Fit Center 3258 is at -6.632189 -0.776621 2.539724 ESP Fit Center 3259 is at -6.499577 -1.173842 2.539724 ESP Fit Center 3260 is at -6.304964 -1.544647 2.539724 ESP Fit Center 3261 is at -6.053390 -1.879432 2.539724 ESP Fit Center 3262 is at -5.751370 -2.169526 2.539724 ESP Fit Center 3263 is at -5.406727 -2.407416 2.539724 ESP Fit Center 3264 is at -5.028386 -2.586941 2.539724 ESP Fit Center 3265 is at -4.626148 -2.703451 2.539724 ESP Fit Center 3266 is at -1.350499 0.675016 2.232013 ESP Fit Center 3267 is at -2.606832 2.302021 2.232013 ESP Fit Center 3268 is at -2.980387 2.494079 2.232013 ESP Fit Center 3269 is at -3.377925 2.629701 2.232013 ESP Fit Center 3270 is at -3.790974 2.705994 2.232013 ESP Fit Center 3271 is at -4.210729 2.721335 2.232013 ESP Fit Center 3272 is at -4.628245 2.675395 2.232013 ESP Fit Center 3273 is at -5.034622 2.569154 2.232013 ESP Fit Center 3274 is at -5.421200 2.404876 2.232013 ESP Fit Center 3275 is at -5.779740 2.186063 2.232013 ESP Fit Center 3276 is at -6.102599 1.917378 2.232013 ESP Fit Center 3277 is at -6.382896 1.604547 2.232013 ESP Fit Center 3278 is at -6.614658 1.254238 2.232013 ESP Fit Center 3279 is at -6.792945 0.873918 2.232013 ESP Fit Center 3280 is at -6.913957 0.471692 2.232013 ESP Fit Center 3281 is at -6.975115 0.056132 2.232013 ESP Fit Center 3282 is at -6.975115 -0.363903 2.232013 ESP Fit Center 3283 is at -6.913957 -0.779462 2.232013 ESP Fit Center 3284 is at -6.792945 -1.181689 2.232013 ESP Fit Center 3285 is at -6.614658 -1.562009 2.232013 ESP Fit Center 3286 is at -6.382896 -1.912318 2.232013 ESP Fit Center 3287 is at -6.102599 -2.225148 2.232013 ESP Fit Center 3288 is at -5.779740 -2.493834 2.232013 ESP Fit Center 3289 is at -5.421200 -2.712647 2.232013 ESP Fit Center 3290 is at -5.034622 -2.876925 2.232013 ESP Fit Center 3291 is at -4.628245 -2.983166 2.232013 ESP Fit Center 3292 is at -2.985755 2.753854 1.895449 ESP Fit Center 3293 is at -3.383311 2.877177 1.895449 ESP Fit Center 3294 is at -3.793757 2.946411 1.895449 ESP Fit Center 3295 is at -4.209769 2.960320 1.895449 ESP Fit Center 3296 is at -4.623923 2.918655 1.895449 ESP Fit Center 3297 is at -5.028828 2.822162 1.895449 ESP Fit Center 3298 is at -5.417260 2.672560 1.895449 ESP Fit Center 3299 is at -5.782285 2.472521 1.895449 ESP Fit Center 3300 is at -6.117391 2.225613 1.895449 ESP Fit Center 3301 is at -6.416597 1.936243 1.895449 ESP Fit Center 3302 is at -6.674565 1.609575 1.895449 ESP Fit Center 3303 is at -6.886690 1.251437 1.895449 ESP Fit Center 3304 is at -7.049187 0.868222 1.895449 ESP Fit Center 3305 is at -7.159157 0.466767 1.895449 ESP Fit Center 3306 is at -7.214637 0.054237 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Center 3380 is at -6.248097 2.723920 0.756448 ESP Fit Center 3381 is at -6.567703 2.455738 0.756448 ESP Fit Center 3382 is at -6.854014 2.152266 0.756448 ESP Fit Center 3383 is at -7.103159 1.817607 0.756448 ESP Fit Center 3384 is at -7.311767 1.456287 0.756448 ESP Fit Center 3385 is at -7.477018 1.073192 0.756448 ESP Fit Center 3386 is at -7.596677 0.673503 0.756448 ESP Fit Center 3387 is at -7.669126 0.262625 0.756448 ESP Fit Center 3388 is at -7.693385 -0.153885 0.756448 ESP Fit Center 3389 is at -7.669126 -0.570396 0.756448 ESP Fit Center 3390 is at -7.596677 -0.981274 0.756448 ESP Fit Center 3391 is at -7.477018 -1.380963 0.756448 ESP Fit Center 3392 is at -7.311767 -1.764058 0.756448 ESP Fit Center 3393 is at -7.103159 -2.125378 0.756448 ESP Fit Center 3394 is at -6.854014 -2.460037 0.756448 ESP Fit Center 3395 is at -6.567703 -2.763509 0.756448 ESP Fit Center 3396 is at -6.248097 -3.031691 0.756448 ESP Fit Center 3397 is at -5.899517 -3.260955 0.756448 ESP Fit Center 3398 is at 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0.349600 ESP Fit Center 3417 is at -7.756547 0.054880 0.349600 ESP Fit Center 3418 is at -7.756547 -0.362651 0.349600 ESP Fit Center 3419 is at -7.708952 -0.777461 0.349600 ESP Fit Center 3420 is at -7.614382 -1.184142 0.349600 ESP Fit Center 3421 is at -7.474071 -1.577392 0.349600 ESP Fit Center 3422 is at -7.289847 -1.952084 0.349600 ESP Fit Center 3423 is at -7.064113 -2.303334 0.349600 ESP Fit Center 3424 is at -6.799810 -2.626563 0.349600 ESP Fit Center 3425 is at -6.500385 -2.917556 0.349600 ESP Fit Center 3426 is at -6.169740 -3.172521 0.349600 ESP Fit Center 3427 is at -5.812188 -3.388134 0.349600 ESP Fit Center 3428 is at -5.432387 -3.561583 0.349600 ESP Fit Center 3429 is at -5.035291 -3.690607 0.349600 ESP Fit Center 3430 is at -4.626076 -3.773525 0.349600 ESP Fit Center 3431 is at -4.210076 -3.809255 0.349600 ESP Fit Center 3432 is at -3.792714 -3.797332 0.349600 ESP Fit Center 3433 is at -3.693621 3.502976 -0.062429 ESP Fit Center 3434 is at -4.105650 3.526115 -0.062429 ESP Fit Center 3435 is at -4.517679 3.502976 -0.062429 ESP Fit Center 3436 is at -4.924527 3.433849 -0.062429 ESP Fit Center 3437 is at -5.321077 3.319605 -0.062429 ESP Fit Center 3438 is at -5.702342 3.161680 -0.062429 ESP Fit Center 3439 is at -6.063528 2.962060 -0.062429 ESP Fit Center 3440 is at -6.400093 2.723254 -0.062429 ESP Fit Center 3441 is at -6.707803 2.448268 -0.062429 ESP Fit Center 3442 is at -6.982790 2.140557 -0.062429 ESP Fit Center 3443 is at -7.221595 1.803993 -0.062429 ESP Fit Center 3444 is at -7.421216 1.442807 -0.062429 ESP Fit Center 3445 is at -7.579141 1.061542 -0.062429 ESP Fit Center 3446 is at -7.693385 0.664992 -0.062429 ESP Fit Center 3447 is at -7.762511 0.258144 -0.062429 ESP Fit Center 3448 is at -7.785650 -0.153885 -0.062429 ESP Fit Center 3449 is at -7.762511 -0.565915 -0.062429 ESP Fit Center 3450 is at -7.693385 -0.972762 -0.062429 ESP Fit Center 3451 is at -7.579141 -1.369312 -0.062429 ESP Fit Center 3452 is at -7.421216 -1.750578 -0.062429 ESP Fit Center 3453 is at -7.221595 -2.111763 -0.062429 ESP Fit Center 3454 is at -6.982790 -2.448328 -0.062429 ESP Fit Center 3455 is at -6.707803 -2.756038 -0.062429 ESP Fit Center 3456 is at -6.400093 -3.031025 -0.062429 ESP Fit Center 3457 is at -6.063528 -3.269830 -0.062429 ESP Fit Center 3458 is at -5.702342 -3.469451 -0.062429 ESP Fit Center 3459 is at -5.321077 -3.627376 -0.062429 ESP Fit Center 3460 is at -4.924527 -3.741620 -0.062429 ESP Fit Center 3461 is at -4.517679 -3.810746 -0.062429 ESP Fit Center 3462 is at -4.105650 -3.833885 -0.062429 ESP Fit Center 3463 is at -3.693621 -3.810746 -0.062429 ESP Fit Center 3464 is at -3.792714 3.489561 -0.474458 ESP Fit Center 3465 is at -4.210076 3.501484 -0.474458 ESP Fit Center 3466 is at -4.626076 3.465754 -0.474458 ESP Fit Center 3467 is at -5.035291 3.382836 -0.474458 ESP Fit Center 3468 is at -5.432387 3.253812 -0.474458 ESP Fit Center 3469 is at -5.812188 3.080363 -0.474458 ESP Fit Center 3470 is at -6.169740 2.864751 -0.474458 ESP Fit Center 3471 is at -6.500385 2.609786 -0.474458 ESP Fit Center 3472 is at -6.799810 2.318792 -0.474458 ESP Fit Center 3473 is at -7.064113 1.995564 -0.474458 ESP Fit Center 3474 is at -7.289847 1.644314 -0.474458 ESP Fit Center 3475 is at -7.474071 1.269621 -0.474458 ESP Fit Center 3476 is at -7.614382 0.876371 -0.474458 ESP Fit Center 3477 is at -7.708952 0.469691 -0.474458 ESP Fit Center 3478 is at -7.756547 0.054880 -0.474458 ESP Fit Center 3479 is at -7.756547 -0.362651 -0.474458 ESP Fit Center 3480 is at -7.708952 -0.777461 -0.474458 ESP Fit Center 3481 is at -7.614382 -1.184142 -0.474458 ESP Fit Center 3482 is at -7.474071 -1.577392 -0.474458 ESP Fit Center 3483 is at -7.289847 -1.952084 -0.474458 ESP Fit Center 3484 is at -7.064113 -2.303334 -0.474458 ESP Fit Center 3485 is at -6.799810 -2.626563 -0.474458 ESP Fit Center 3486 is at -6.500385 -2.917556 -0.474458 ESP Fit Center 3487 is at -6.169740 -3.172521 -0.474458 ESP Fit Center 3488 is at -5.812188 -3.388134 -0.474458 ESP Fit Center 3489 is at -5.432387 -3.561583 -0.474458 ESP Fit Center 3490 is at -5.035291 -3.690607 -0.474458 ESP Fit Center 3491 is at -4.626076 -3.773525 -0.474458 ESP Fit Center 3492 is at -4.210076 -3.809255 -0.474458 ESP Fit Center 3493 is at -3.482646 3.379344 -0.881306 ESP Fit Center 3494 is at -3.897042 3.427779 -0.881306 ESP Fit Center 3495 is at -4.314258 3.427779 -0.881306 ESP Fit Center 3496 is at -4.728654 3.379344 -0.881306 ESP Fit Center 3497 is at -5.134624 3.283127 -0.881306 ESP Fit Center 3498 is at -5.526679 3.140430 -0.881306 ESP Fit Center 3499 is at -5.899517 2.953184 -0.881306 ESP Fit Center 3500 is at -6.248097 2.723920 -0.881306 ESP Fit Center 3501 is at -6.567703 2.455738 -0.881306 ESP Fit Center 3502 is at -6.854014 2.152266 -0.881306 ESP Fit Center 3503 is at -7.103159 1.817607 -0.881306 ESP Fit Center 3504 is at -7.311767 1.456287 -0.881306 ESP Fit Center 3505 is at -7.477018 1.073192 -0.881306 ESP Fit Center 3506 is at -7.596677 0.673503 -0.881306 ESP Fit Center 3507 is at -7.669126 0.262625 -0.881306 ESP Fit Center 3508 is at -7.693385 -0.153885 -0.881306 ESP Fit Center 3509 is at -7.669126 -0.570396 -0.881306 ESP Fit Center 3510 is at -7.596677 -0.981274 -0.881306 ESP Fit Center 3511 is at -7.477018 -1.380963 -0.881306 ESP Fit Center 3512 is at -7.311767 -1.764058 -0.881306 ESP Fit Center 3513 is at -7.103159 -2.125378 -0.881306 ESP Fit Center 3514 is at -6.854014 -2.460037 -0.881306 ESP Fit Center 3515 is at -6.567703 -2.763509 -0.881306 ESP Fit Center 3516 is at -6.248097 -3.031691 -0.881306 ESP Fit Center 3517 is at -5.899517 -3.260955 -0.881306 ESP Fit Center 3518 is at -5.526679 -3.448201 -0.881306 ESP Fit Center 3519 is at -5.134624 -3.590898 -0.881306 ESP Fit Center 3520 is at -4.728654 -3.687114 -0.881306 ESP Fit Center 3521 is at -4.314258 -3.735550 -0.881306 ESP Fit Center 3522 is at -3.686967 3.294280 -1.277856 ESP Fit Center 3523 is at -4.105650 3.319605 -1.277856 ESP Fit Center 3524 is at -4.524333 3.294280 -1.277856 ESP Fit Center 3525 is at -4.936911 3.218672 -1.277856 ESP Fit Center 3526 is at -5.337367 3.093885 -1.277856 ESP Fit Center 3527 is at -5.719862 2.921738 -1.277856 ESP Fit Center 3528 is at -6.078818 2.704741 -1.277856 ESP Fit Center 3529 is at -6.409000 2.446060 -1.277856 ESP Fit Center 3530 is at -6.705595 2.149465 -1.277856 ESP Fit Center 3531 is at -6.964277 1.819282 -1.277856 ESP Fit Center 3532 is at -7.181273 1.460326 -1.277856 ESP Fit Center 3533 is at -7.353420 1.077831 -1.277856 ESP Fit Center 3534 is at -7.478207 0.677375 -1.277856 ESP Fit Center 3535 is at -7.553815 0.264798 -1.277856 ESP Fit Center 3536 is at -7.579141 -0.153885 -1.277856 ESP Fit Center 3537 is at -7.553815 -0.572568 -1.277856 ESP Fit Center 3538 is at -7.478207 -0.985146 -1.277856 ESP Fit Center 3539 is at -7.353420 -1.385602 -1.277856 ESP Fit Center 3540 is at -7.181273 -1.768097 -1.277856 ESP Fit Center 3541 is at -6.964277 -2.127053 -1.277856 ESP Fit Center 3542 is at -6.705595 -2.457236 -1.277856 ESP Fit Center 3543 is at -6.409000 -2.753830 -1.277856 ESP Fit Center 3544 is at -6.078818 -3.012512 -1.277856 ESP Fit Center 3545 is at -5.719862 -3.229509 -1.277856 ESP Fit Center 3546 is at -5.337367 -3.401656 -1.277856 ESP Fit Center 3547 is at -4.936911 -3.526443 -1.277856 ESP Fit Center 3548 is at -4.524333 -3.602050 -1.277856 ESP Fit Center 3549 is at -3.081084 2.999405 -1.659121 ESP Fit Center 3550 is at -3.484375 3.102952 -1.659121 ESP Fit Center 3551 is at -3.897464 3.155138 -1.659121 ESP Fit Center 3552 is at -4.313836 3.155138 -1.659121 ESP Fit Center 3553 is at -4.726925 3.102952 -1.659121 ESP Fit Center 3554 is at -5.130216 2.999405 -1.659121 ESP Fit Center 3555 is at -5.517349 2.846128 -1.659121 ESP Fit Center 3556 is at -5.882219 2.645539 -1.659121 ESP Fit Center 3557 is at -6.219071 2.400802 -1.659121 ESP Fit Center 3558 is at -6.522593 2.115775 -1.659121 ESP Fit Center 3559 is at -6.787999 1.794955 -1.659121 ESP Fit Center 3560 is at -7.011102 1.443400 -1.659121 ESP Fit Center 3561 is at -7.188385 1.066656 -1.659121 ESP Fit Center 3562 is at -7.317051 0.670662 -1.659121 ESP Fit Center 3563 is at -7.395071 0.261665 -1.659121 ESP Fit Center 3564 is at -7.421216 -0.153885 -1.659121 ESP Fit Center 3565 is at -7.395071 -0.569436 -1.659121 ESP Fit Center 3566 is at -7.317051 -0.978433 -1.659121 ESP Fit Center 3567 is at -7.188385 -1.374426 -1.659121 ESP Fit Center 3568 is at -7.011102 -1.751171 -1.659121 ESP Fit Center 3569 is at -6.787999 -2.102726 -1.659121 ESP Fit Center 3570 is at -6.522593 -2.423546 -1.659121 ESP Fit Center 3571 is at -6.219071 -2.708572 -1.659121 ESP Fit Center 3572 is at -5.882219 -2.953310 -1.659121 ESP Fit Center 3573 is at -5.517349 -3.153899 -1.659121 ESP Fit Center 3574 is at -5.130216 -3.307176 -1.659121 ESP Fit Center 3575 is at -4.726925 -3.410723 -1.659121 ESP Fit Center 3576 is at -4.313836 -3.462908 -1.659121 ESP Fit Center 3577 is at -2.985755 2.753854 -2.020307 ESP Fit Center 3578 is at -3.383311 2.877177 -2.020307 ESP Fit Center 3579 is at -3.793757 2.946411 -2.020307 ESP Fit Center 3580 is at -4.209769 2.960320 -2.020307 ESP Fit Center 3581 is at -4.623923 2.918655 -2.020307 ESP Fit Center 3582 is at -5.028828 2.822162 -2.020307 ESP Fit Center 3583 is at -5.417260 2.672560 -2.020307 ESP Fit Center 3584 is at -5.782285 2.472521 -2.020307 ESP Fit Center 3585 is at -6.117391 2.225613 -2.020307 ESP Fit Center 3586 is at -6.416597 1.936243 -2.020307 ESP Fit Center 3587 is at -6.674565 1.609575 -2.020307 ESP Fit Center 3588 is at -6.886690 1.251437 -2.020307 ESP Fit Center 3589 is at -7.049187 0.868222 -2.020307 ESP Fit Center 3590 is at -7.159157 0.466767 -2.020307 ESP Fit Center 3591 is at -7.214637 0.054237 -2.020307 ESP Fit Center 3592 is at -7.214637 -0.362008 -2.020307 ESP Fit Center 3593 is at -7.159157 -0.774538 -2.020307 ESP Fit Center 3594 is at -7.049187 -1.175993 -2.020307 ESP Fit Center 3595 is at -6.886690 -1.559208 -2.020307 ESP Fit Center 3596 is at -6.674565 -1.917345 -2.020307 ESP Fit Center 3597 is at -6.416597 -2.244014 -2.020307 ESP Fit Center 3598 is at -6.117391 -2.533384 -2.020307 ESP Fit Center 3599 is at -5.782285 -2.780291 -2.020307 ESP Fit Center 3600 is at -5.417260 -2.980331 -2.020307 ESP Fit Center 3601 is at -5.028828 -3.129932 -2.020307 ESP Fit Center 3602 is at -4.623923 -3.226426 -2.020307 ESP Fit Center 3603 is at -4.209769 -3.268090 -2.020307 ESP Fit Center 3604 is at -1.259171 0.265030 -2.356872 ESP Fit Center 3605 is at -1.350499 0.675016 -2.356872 ESP Fit Center 3606 is at -1.500549 1.067336 -2.356872 ESP Fit Center 3607 is at -2.606832 2.302021 -2.356872 ESP Fit Center 3608 is at -2.980387 2.494079 -2.356872 ESP Fit Center 3609 is at -3.377925 2.629701 -2.356872 ESP Fit Center 3610 is at -3.790974 2.705994 -2.356872 ESP Fit Center 3611 is at -4.210729 2.721335 -2.356872 ESP Fit Center 3612 is at -4.628245 2.675395 -2.356872 ESP Fit Center 3613 is at -5.034622 2.569154 -2.356872 ESP Fit Center 3614 is at -5.421200 2.404876 -2.356872 ESP Fit Center 3615 is at -5.779740 2.186063 -2.356872 ESP Fit Center 3616 is at -6.102599 1.917378 -2.356872 ESP Fit Center 3617 is at -6.382896 1.604547 -2.356872 ESP Fit Center 3618 is at -6.614658 1.254238 -2.356872 ESP Fit Center 3619 is at -6.792945 0.873918 -2.356872 ESP Fit Center 3620 is at -6.913957 0.471692 -2.356872 ESP Fit Center 3621 is at -6.975115 0.056132 -2.356872 ESP Fit Center 3622 is at -6.975115 -0.363903 -2.356872 ESP Fit Center 3623 is at -6.913957 -0.779462 -2.356872 ESP Fit Center 3624 is at -6.792945 -1.181689 -2.356872 ESP Fit Center 3625 is at -6.614658 -1.562009 -2.356872 ESP Fit Center 3626 is at -6.382896 -1.912318 -2.356872 ESP Fit Center 3627 is at -6.102599 -2.225148 -2.356872 ESP Fit Center 3628 is at -5.779740 -2.493834 -2.356872 ESP Fit Center 3629 is at -5.421200 -2.712647 -2.356872 ESP Fit Center 3630 is at -5.034622 -2.876925 -2.356872 ESP Fit Center 3631 is at -4.628245 -2.983166 -2.356872 ESP Fit Center 3632 is at -4.210729 -3.029106 -2.356872 ESP Fit Center 3633 is at -1.503497 -0.153885 -2.664582 ESP Fit Center 3634 is at -1.537194 0.263529 -2.664582 ESP Fit Center 3635 is at -1.637413 0.670133 -2.664582 ESP Fit Center 3636 is at -1.801558 1.055395 -2.664582 ESP Fit Center 3637 is at -2.025378 1.409338 -2.664582 ESP Fit Center 3638 is at -2.303075 1.722794 -2.664582 ESP Fit Center 3639 is at -2.627459 1.987645 -2.664582 ESP Fit Center 3640 is at -2.990126 2.197031 -2.664582 ESP Fit Center 3641 is at -3.381686 2.345530 -2.664582 ESP Fit Center 3642 is at -3.791995 2.429295 -2.664582 ESP Fit Center 3643 is at -4.210428 2.446157 -2.664582 ESP Fit Center 3644 is at -4.626148 2.395680 -2.664582 ESP Fit Center 3645 is at -5.028386 2.279170 -2.664582 ESP Fit Center 3646 is at -5.406727 2.099645 -2.664582 ESP Fit Center 3647 is at -5.751370 1.861755 -2.664582 ESP Fit Center 3648 is at -6.053390 1.571661 -2.664582 ESP Fit Center 3649 is at -6.304964 1.236876 -2.664582 ESP Fit Center 3650 is at -6.499577 0.866072 -2.664582 ESP Fit Center 3651 is at -6.632189 0.468851 -2.664582 ESP Fit Center 3652 is at -6.699365 0.055501 -2.664582 ESP Fit Center 3653 is at -6.699365 -0.363272 -2.664582 ESP Fit Center 3654 is at -6.632189 -0.776621 -2.664582 ESP Fit Center 3655 is at -6.499577 -1.173842 -2.664582 ESP Fit Center 3656 is at -6.304964 -1.544647 -2.664582 ESP Fit Center 3657 is at -6.053390 -1.879432 -2.664582 ESP Fit Center 3658 is at -5.751370 -2.169526 -2.664582 ESP Fit Center 3659 is at -5.406727 -2.407416 -2.664582 ESP Fit Center 3660 is at -5.028386 -2.586941 -2.664582 ESP Fit Center 3661 is at -4.626148 -2.703451 -2.664582 ESP Fit Center 3662 is at -4.210428 -2.753928 -2.664582 ESP Fit Center 3663 is at -3.791995 -2.737066 -2.664582 ESP Fit Center 3664 is at -1.537194 -0.571300 -2.664582 ESP Fit Center 3665 is at -1.811208 -0.153885 -2.939569 ESP Fit Center 3666 is at -1.850275 0.267717 -2.939569 ESP Fit Center 3667 is at -1.966146 0.674963 -2.939569 ESP Fit Center 3668 is at -2.154876 1.053983 -2.939569 ESP Fit Center 3669 is at -2.410037 1.391871 -2.939569 ESP Fit Center 3670 is at -2.722940 1.677119 -2.939569 ESP Fit Center 3671 is at -3.082929 1.900015 -2.939569 ESP Fit Center 3672 is at -3.477746 2.052968 -2.939569 ESP Fit Center 3673 is at -3.893946 2.130769 -2.939569 ESP Fit Center 3674 is at -4.317355 2.130769 -2.939569 ESP Fit Center 3675 is at -4.733554 2.052968 -2.939569 ESP Fit Center 3676 is at -5.128371 1.900015 -2.939569 ESP Fit Center 3677 is at -5.488361 1.677119 -2.939569 ESP Fit Center 3678 is at -5.801264 1.391871 -2.939569 ESP Fit Center 3679 is at -6.056424 1.053983 -2.939569 ESP Fit Center 3680 is at -6.245154 0.674963 -2.939569 ESP Fit Center 3681 is at -6.361025 0.267717 -2.939569 ESP Fit Center 3682 is at -6.400093 -0.153885 -2.939569 ESP Fit Center 3683 is at -6.361025 -0.575488 -2.939569 ESP Fit Center 3684 is at -6.245154 -0.982734 -2.939569 ESP Fit Center 3685 is at -6.056424 -1.361754 -2.939569 ESP Fit Center 3686 is at -5.801264 -1.699641 -2.939569 ESP Fit Center 3687 is at -5.488361 -1.984890 -2.939569 ESP Fit Center 3688 is at -5.128371 -2.207786 -2.939569 ESP Fit Center 3689 is at -4.733554 -2.360739 -2.939569 ESP Fit Center 3690 is at -4.317355 -2.438540 -2.939569 ESP Fit Center 3691 is at -3.893946 -2.438540 -2.939569 ESP Fit Center 3692 is at -3.477746 -2.360739 -2.939569 ESP Fit Center 3693 is at -1.966146 -0.982734 -2.939569 ESP Fit Center 3694 is at -1.850275 -0.575488 -2.939569 ESP Fit Center 3695 is at -2.147772 -0.153885 -3.178374 ESP Fit Center 3696 is at -2.193546 0.267001 -3.178374 ESP Fit Center 3697 is at -2.328728 0.668206 -3.178374 ESP Fit Center 3698 is at -2.546997 1.030972 -3.178374 ESP Fit Center 3699 is at -2.838147 1.338335 -3.178374 ESP Fit Center 3700 is at -3.188563 1.575923 -3.178374 ESP Fit Center 3701 is at -3.581862 1.732628 -3.178374 ESP Fit Center 3702 is at -3.999653 1.801121 -3.178374 ESP Fit Center 3703 is at -4.422399 1.778201 -3.178374 ESP Fit Center 3704 is at -4.830335 1.664938 -3.178374 ESP Fit Center 3705 is at -5.204386 1.466629 -3.178374 ESP Fit Center 3706 is at -5.527061 1.192546 -3.178374 ESP Fit Center 3707 is at -5.783272 0.855506 -3.178374 ESP Fit Center 3708 is at -5.961039 0.471268 -3.178374 ESP Fit Center 3709 is at -6.052051 0.057798 -3.178374 ESP Fit Center 3710 is at -6.052051 -0.365569 -3.178374 ESP Fit Center 3711 is at -5.961039 -0.779039 -3.178374 ESP Fit Center 3712 is at -5.783272 -1.163277 -3.178374 ESP Fit Center 3713 is at -5.527061 -1.500317 -3.178374 ESP Fit Center 3714 is at -5.204386 -1.774400 -3.178374 ESP Fit Center 3715 is at -4.830335 -1.972709 -3.178374 ESP Fit Center 3716 is at -4.422399 -2.085971 -3.178374 ESP Fit Center 3717 is at -3.999653 -2.108892 -3.178374 ESP Fit Center 3718 is at -3.581862 -2.040399 -3.178374 ESP Fit Center 3719 is at -3.188563 -1.883694 -3.178374 ESP Fit Center 3720 is at -2.838147 -1.646106 -3.178374 ESP Fit Center 3721 is at -2.546997 -1.338743 -3.178374 ESP Fit Center 3722 is at -2.328728 -0.975977 -3.178374 ESP Fit Center 3723 is at -2.193546 -0.574771 -3.178374 ESP Fit Center 3724 is at -2.508958 -0.153885 -3.377994 ESP Fit Center 3725 is at -2.563364 0.259369 -3.377994 ESP Fit Center 3726 is at -2.722874 0.644461 -3.377994 ESP Fit Center 3727 is at -2.976618 0.975146 -3.377994 ESP Fit Center 3728 is at -3.307304 1.228891 -3.377994 ESP Fit Center 3729 is at -3.692396 1.388401 -3.377994 ESP Fit Center 3730 is at -4.105650 1.442807 -3.377994 ESP Fit Center 3731 is at -4.518904 1.388401 -3.377994 ESP Fit Center 3732 is at -4.903996 1.228891 -3.377994 ESP Fit Center 3733 is at -5.234682 0.975146 -3.377994 ESP Fit Center 3734 is at -5.488426 0.644461 -3.377994 ESP Fit Center 3735 is at -5.647936 0.259369 -3.377994 ESP Fit Center 3736 is at -5.702342 -0.153885 -3.377994 ESP Fit Center 3737 is at -5.647936 -0.567140 -3.377994 ESP Fit Center 3738 is at -5.488426 -0.952231 -3.377994 ESP Fit Center 3739 is at -5.234682 -1.282917 -3.377994 ESP Fit Center 3740 is at -4.903996 -1.536661 -3.377994 ESP Fit Center 3741 is at -4.518904 -1.696172 -3.377994 ESP Fit Center 3742 is at -4.105650 -1.750578 -3.377994 ESP Fit Center 3743 is at -3.692396 -1.696172 -3.377994 ESP Fit Center 3744 is at -3.307304 -1.536661 -3.377994 ESP Fit Center 3745 is at -2.976618 -1.282917 -3.377994 ESP Fit Center 3746 is at -2.722874 -0.952231 -3.377994 ESP Fit Center 3747 is at -2.563364 -0.567140 -3.377994 ESP Fit Center 3748 is at -2.890223 -0.153885 -3.535920 ESP Fit Center 3749 is at -2.963522 0.261815 -3.535920 ESP Fit Center 3750 is at -3.174579 0.627376 -3.535920 ESP Fit Center 3751 is at -3.497937 0.898705 -3.535920 ESP Fit Center 3752 is at -3.894593 1.043076 -3.535920 ESP Fit Center 3753 is at -4.316707 1.043076 -3.535920 ESP Fit Center 3754 is at -4.713364 0.898705 -3.535920 ESP Fit Center 3755 is at -5.036721 0.627376 -3.535920 ESP Fit Center 3756 is at -5.247778 0.261815 -3.535920 ESP Fit Center 3757 is at -5.321077 -0.153885 -3.535920 ESP Fit Center 3758 is at -5.247778 -0.569586 -3.535920 ESP Fit Center 3759 is at -5.036721 -0.935147 -3.535920 ESP Fit Center 3760 is at -4.713364 -1.206476 -3.535920 ESP Fit Center 3761 is at -4.316707 -1.350847 -3.535920 ESP Fit Center 3762 is at -3.894593 -1.350847 -3.535920 ESP Fit Center 3763 is at -3.497937 -1.206476 -3.535920 ESP Fit Center 3764 is at -3.174579 -0.935147 -3.535920 ESP Fit Center 3765 is at -2.963522 -0.569586 -3.535920 ESP Fit Center 3766 is at -3.286773 -0.153885 -3.650164 ESP Fit Center 3767 is at -3.396482 0.255553 -3.650164 ESP Fit Center 3768 is at -3.696212 0.555283 -3.650164 ESP Fit Center 3769 is at -4.105650 0.664992 -3.650164 ESP Fit Center 3770 is at -4.515089 0.555283 -3.650164 ESP Fit Center 3771 is at -4.814818 0.255553 -3.650164 ESP Fit Center 3772 is at -4.924527 -0.153885 -3.650164 ESP Fit Center 3773 is at -4.814818 -0.563324 -3.650164 ESP Fit Center 3774 is at -4.515089 -0.863054 -3.650164 ESP Fit Center 3775 is at -4.105650 -0.972762 -3.650164 ESP Fit Center 3776 is at -3.696212 -0.863054 -3.650164 ESP Fit Center 3777 is at -3.396482 -0.563324 -3.650164 ESP Fit Center 3778 is at -3.693621 -0.153885 -3.719290 ESP Fit Center 3779 is at -3.899635 0.202942 -3.719290 ESP Fit Center 3780 is at -4.311665 0.202942 -3.719290 ESP Fit Center 3781 is at -4.517679 -0.153885 -3.719290 ESP Fit Center 3782 is at -4.311665 -0.510713 -3.719290 ESP Fit Center 3783 is at -3.899635 -0.510713 -3.719290 ESP Fit Center 3784 is at -4.105650 -0.153885 -3.742429 ESP Fit Center 3785 is at 3.228515 2.804318 1.765897 ESP Fit Center 3786 is at 3.116907 3.220846 1.765897 ESP Fit Center 3787 is at 2.811987 3.525766 1.765897 ESP Fit Center 3788 is at 2.395459 3.637374 1.765897 ESP Fit Center 3789 is at 3.592559 2.804318 1.537153 ESP Fit Center 3790 is at 3.520365 3.213750 1.537153 ESP Fit Center 3791 is at 3.312491 3.573799 1.537153 ESP Fit Center 3792 is at 2.994009 3.841037 1.537153 ESP Fit Center 3793 is at 2.603333 3.983231 1.537153 ESP Fit Center 3794 is at 2.187584 3.983231 1.537153 ESP Fit Center 3795 is at 3.896575 2.804318 1.233137 ESP Fit Center 3796 is at 3.835769 3.227231 1.233137 ESP Fit Center 3797 is at 3.658278 3.615882 1.233137 ESP Fit Center 3798 is at 3.378481 3.938786 1.233137 ESP Fit Center 3799 is at 3.019045 4.169781 1.233137 ESP Fit Center 3800 is at 2.609090 4.290155 1.233137 ESP Fit Center 3801 is at 2.181828 4.290155 1.233137 ESP Fit Center 3802 is at 4.125319 2.804318 0.869093 ESP Fit Center 3803 is at 4.075052 3.218300 0.869093 ESP Fit Center 3804 is at 3.927174 3.608224 0.869093 ESP Fit Center 3805 is at 3.690278 3.951427 0.869093 ESP Fit Center 3806 is at 3.378131 4.227965 0.869093 ESP Fit Center 3807 is at 3.008876 4.421765 0.869093 ESP Fit Center 3808 is at 2.603970 4.521565 0.869093 ESP Fit Center 3809 is at 2.186947 4.521565 0.869093 ESP Fit Center 3810 is at 4.220389 3.220846 0.463277 ESP Fit Center 3811 is at 4.081948 3.616488 0.463277 ESP Fit Center 3812 is at 3.858939 3.971404 0.463277 ESP Fit Center 3813 is at 3.562545 4.267798 0.463277 ESP Fit Center 3814 is at 3.207629 4.490807 0.463277 ESP Fit Center 3815 is at 2.811987 4.629248 0.463277 ESP Fit Center 3816 is at 2.395459 4.676179 0.463277 ESP Fit Center 3817 is at 4.270570 3.217061 0.036037 ESP Fit Center 3818 is at 4.138003 3.610505 0.036037 ESP Fit Center 3819 is at 3.923957 3.966252 0.036037 ESP Fit Center 3820 is at 3.638440 4.267669 0.036037 ESP Fit Center 3821 is at 3.294803 4.500661 0.036037 ESP Fit Center 3822 is at 2.909113 4.654334 0.036037 ESP Fit Center 3823 is at 2.499405 4.721502 0.036037 ESP Fit Center 3824 is at 4.220389 3.220846 -0.391204 ESP Fit Center 3825 is at 4.081948 3.616488 -0.391204 ESP Fit Center 3826 is at 3.858939 3.971404 -0.391204 ESP Fit Center 3827 is at 3.562545 4.267798 -0.391204 ESP Fit Center 3828 is at 3.207629 4.490807 -0.391204 ESP Fit Center 3829 is at 2.811987 4.629248 -0.391204 ESP Fit Center 3830 is at 2.395459 4.676179 -0.391204 ESP Fit Center 3831 is at 4.125319 2.804318 -0.797020 ESP Fit Center 3832 is at 4.075052 3.218300 -0.797020 ESP Fit Center 3833 is at 3.927174 3.608224 -0.797020 ESP Fit Center 3834 is at 3.690278 3.951427 -0.797020 ESP Fit Center 3835 is at 3.378131 4.227965 -0.797020 ESP Fit Center 3836 is at 3.008876 4.421765 -0.797020 ESP Fit Center 3837 is at 2.603970 4.521565 -0.797020 ESP Fit Center 3838 is at 2.186947 4.521565 -0.797020 ESP Fit Center 3839 is at 3.896575 2.804318 -1.161064 ESP Fit Center 3840 is at 3.835769 3.227231 -1.161064 ESP Fit Center 3841 is at 3.658278 3.615882 -1.161064 ESP Fit Center 3842 is at 3.378481 3.938786 -1.161064 ESP Fit Center 3843 is at 3.019045 4.169781 -1.161064 ESP Fit Center 3844 is at 2.609090 4.290155 -1.161064 ESP Fit Center 3845 is at 2.181828 4.290155 -1.161064 ESP Fit Center 3846 is at 3.592559 2.804318 -1.465080 ESP Fit Center 3847 is at 3.520365 3.213750 -1.465080 ESP Fit Center 3848 is at 3.312491 3.573799 -1.465080 ESP Fit Center 3849 is at 2.994009 3.841037 -1.465080 ESP Fit Center 3850 is at 2.603333 3.983231 -1.465080 ESP Fit Center 3851 is at 2.187584 3.983231 -1.465080 ESP Fit Center 3852 is at 3.228515 2.804318 -1.693824 ESP Fit Center 3853 is at 3.116907 3.220846 -1.693824 ESP Fit Center 3854 is at 2.811987 3.525766 -1.693824 ESP Fit Center 3855 is at 2.395459 3.637374 -1.693824 ESP Fit Center 3856 is at -3.020497 -1.877873 3.364590 ESP Fit Center 3857 is at -3.234117 -2.247874 3.364590 ESP Fit Center 3858 is at -3.020497 -2.617875 3.364590 ESP Fit Center 3859 is at -2.806877 -1.414817 3.222589 ESP Fit Center 3860 is at -3.528326 -1.831346 3.222589 ESP Fit Center 3861 is at -3.639934 -2.247874 3.222589 ESP Fit Center 3862 is at -3.528326 -2.664402 3.222589 ESP Fit Center 3863 is at -3.223406 -2.969322 3.222589 ESP Fit Center 3864 is at -4.003978 -2.247874 2.993845 ESP Fit Center 3865 is at -3.931784 -2.657307 2.993845 ESP Fit Center 3866 is at -3.723909 -3.017355 2.993845 ESP Fit Center 3867 is at -3.405427 -3.284593 2.993845 ESP Fit Center 3868 is at -4.247188 -2.670787 2.689829 ESP Fit Center 3869 is at -4.069697 -3.059439 2.689829 ESP Fit Center 3870 is at -3.789899 -3.382342 2.689829 ESP Fit Center 3871 is at -3.430464 -3.613338 2.689829 ESP Fit Center 3872 is at -4.338592 -3.051780 2.325785 ESP Fit Center 3873 is at -4.101696 -3.394984 2.325785 ESP Fit Center 3874 is at -3.789550 -3.671521 2.325785 ESP Fit Center 3875 is at -4.270358 -3.414961 1.919969 ESP Fit Center 3876 is at -3.973964 -3.711354 1.919969 ESP Fit Center 3877 is at -3.619048 -3.934363 1.919969 ESP Fit Center 3878 is at -4.200789 -3.568257 1.492729 ESP Fit Center 3879 is at -3.884356 -3.837037 1.492729 ESP Fit Center 3880 is at -3.973964 -3.711354 1.065488 ESP Fit Center 3881 is at -3.453198 -3.946936 -0.205388 ESP Fit Center 3882 is at -4.006868 -3.792969 -0.611205 ESP Fit Center 3883 is at -3.651951 -4.015978 -0.611205 ESP Fit Center 3884 is at -3.917260 -3.918652 -1.038445 ESP Fit Center 3885 is at -3.550446 -4.113124 -1.038445 ESP Fit Center 3886 is at -4.006868 -3.792969 -1.465685 ESP Fit Center 3887 is at -3.651951 -4.015978 -1.465685 ESP Fit Center 3888 is at -4.134600 -3.476598 -1.871502 ESP Fit Center 3889 is at -3.822454 -3.753136 -1.871502 ESP Fit Center 3890 is at -3.453198 -3.946936 -1.871502 ESP Fit Center 3891 is at -4.102600 -3.141054 -2.235546 ESP Fit Center 3892 is at -3.822803 -3.463957 -2.235546 ESP Fit Center 3893 is at -3.463367 -3.694953 -2.235546 ESP Fit Center 3894 is at -3.756813 -3.098970 -2.539562 ESP Fit Center 3895 is at -3.438331 -3.366208 -2.539562 ESP Fit Center 3896 is at -3.561229 -2.746017 -2.768305 ESP Fit Center 3897 is at -3.267021 -2.329489 -2.910307 ESP Fit Center 3898 is at 5.050599 -0.905540 2.359278 ESP Fit Center 3899 is at 5.467354 -0.905540 2.322817 ESP Fit Center 3900 is at 5.258977 -0.544619 2.322817 ESP Fit Center 3901 is at 4.842221 -0.544619 2.322817 ESP Fit Center 3902 is at 4.633843 -0.905540 2.322817 ESP Fit Center 3903 is at 4.842221 -1.266461 2.322817 ESP Fit Center 3904 is at 5.258977 -1.266461 2.322817 ESP Fit Center 3905 is at 4.640175 -0.194664 2.214541 ESP Fit Center 3906 is at 4.339723 -1.315964 2.214541 ESP Fit Center 3907 is at 4.640175 -1.616415 2.214541 ESP Fit Center 3908 is at 5.050599 -1.726388 2.214541 ESP Fit Center 3909 is at 5.461023 -1.616415 2.214541 ESP Fit Center 3910 is at 5.761474 -1.315964 2.214541 ESP Fit Center 3911 is at 4.131345 -1.676885 2.037739 ESP Fit Center 3912 is at 4.450599 -1.944770 2.037739 ESP Fit Center 3913 is at 4.160960 -2.165871 1.797785 ESP Fit Center 3914 is at 5.258977 0.276230 -2.119183 ESP Fit Center 3915 is at 4.842221 0.276230 -2.119183 ESP Fit Center 3916 is at 5.461023 -0.194664 -2.295984 ESP Fit Center 3917 is at 5.050599 -0.084691 -2.295984 ESP Fit Center 3918 is at 4.640175 -0.194664 -2.295984 ESP Fit Center 3919 is at 4.339723 -1.315964 -2.295984 ESP Fit Center 3920 is at 5.467354 -0.905540 -2.404260 ESP Fit Center 3921 is at 5.258977 -0.544619 -2.404260 ESP Fit Center 3922 is at 4.842221 -0.544619 -2.404260 ESP Fit Center 3923 is at 4.633843 -0.905540 -2.404260 ESP Fit Center 3924 is at 4.842221 -1.266461 -2.404260 ESP Fit Center 3925 is at 5.050599 -0.905540 -2.440722 ESP Fit Center 3926 is at 2.362448 -1.808345 1.536147 ESP Fit Center 3927 is at 2.667368 -2.113265 1.536147 ESP Fit Center 3928 is at 3.083896 -2.224874 1.536147 ESP Fit Center 3929 is at 2.166864 -2.161298 1.307404 ESP Fit Center 3930 is at 2.485346 -2.428536 1.307404 ESP Fit Center 3931 is at 2.876022 -2.570731 1.307404 ESP Fit Center 3932 is at 3.291771 -2.570731 1.307404 ESP Fit Center 3933 is at 2.100874 -2.526285 1.003387 ESP Fit Center 3934 is at 2.460310 -2.757281 1.003387 ESP Fit Center 3935 is at 2.870265 -2.877654 1.003387 ESP Fit Center 3936 is at 1.789077 -2.538927 0.639344 ESP Fit Center 3937 is at 2.101224 -2.815464 0.639344 ESP Fit Center 3938 is at 2.470480 -3.009264 0.639344 ESP Fit Center 3939 is at 2.875385 -3.109065 0.639344 ESP Fit Center 3940 is at 1.916810 -2.855297 0.233527 ESP Fit Center 3941 is at 2.271726 -3.078306 0.233527 ESP Fit Center 3942 is at 2.667368 -3.216747 0.233527 ESP Fit Center 3943 is at 1.689985 -2.712200 -0.193713 ESP Fit Center 3944 is at 2.006417 -2.980980 -0.193713 ESP Fit Center 3945 is at 2.373231 -3.175452 -0.193713 ESP Fit Center 3946 is at 1.620416 -2.558904 -0.620953 ESP Fit Center 3947 is at 1.916810 -2.855297 -0.620953 ESP Fit Center 3948 is at 2.271726 -3.078306 -0.620953 ESP Fit Center 3949 is at 2.667368 -3.216747 -0.620953 ESP Fit Center 3950 is at 1.789077 -2.538927 -1.026770 ESP Fit Center 3951 is at 2.101224 -2.815464 -1.026770 ESP Fit Center 3952 is at 2.470480 -3.009264 -1.026770 ESP Fit Center 3953 is at 1.821077 -2.203382 -1.390813 ESP Fit Center 3954 is at 2.100874 -2.526285 -1.390813 ESP Fit Center 3955 is at 2.460310 -2.757281 -1.390813 ESP Fit Center 3956 is at 2.870265 -2.877654 -1.390813 ESP Fit Center 3957 is at 1.958990 -1.801249 -1.694829 ESP Fit Center 3958 is at 2.166864 -2.161298 -1.694829 ESP Fit Center 3959 is at 2.485346 -2.428536 -1.694829 ESP Fit Center 3960 is at 2.876022 -2.570731 -1.694829 ESP Fit Center 3961 is at 3.291771 -2.570731 -1.694829 ESP Fit Center 3962 is at 2.250840 -1.391817 -1.923573 ESP Fit Center 3963 is at 2.362448 -1.808345 -1.923573 ESP Fit Center 3964 is at 2.667368 -2.113265 -1.923573 ESP Fit Center 3965 is at 3.083896 -2.224874 -1.923573 ESP Fit Center 3966 is at 3.500425 -2.113265 -1.923573 ESP Fit Center 3967 is at 2.656656 -1.391817 -2.065575 ESP Fit Center 3968 is at 2.870276 -1.761818 -2.065575 ESP Fit Center 3969 is at 6.104865 0.899596 2.374363 ESP Fit Center 3970 is at 5.694440 0.789623 2.374363 ESP Fit Center 3971 is at 5.393989 0.489171 2.374363 ESP Fit Center 3972 is at 5.284016 0.078747 2.374363 ESP Fit Center 3973 is at 5.393989 -0.331677 2.374363 ESP Fit Center 3974 is at 6.313242 1.260517 2.197561 ESP Fit Center 3975 is at 5.185611 0.850092 2.197561 ESP Fit Center 3976 is at 4.977233 0.489171 2.197561 ESP Fit Center 3977 is at 4.904865 0.078747 2.197561 ESP Fit Center 3978 is at 6.814602 1.448479 1.957607 ESP Fit Center 3979 is at 7.202745 1.553456 1.661791 ESP Fit Center 3980 is at 7.536855 1.585201 1.319100 ESP Fit Center 3981 is at 7.204296 1.842621 1.319100 ESP Fit Center 3982 is at 8.002112 1.298034 0.939949 ESP Fit Center 3983 is at 7.737075 1.635056 0.939949 ESP Fit Center 3984 is at 7.413045 1.915830 0.939949 ESP Fit Center 3985 is at 8.317692 0.909235 0.535856 ESP Fit Center 3986 is at 8.133841 1.291004 0.535856 ESP Fit Center 3987 is at 7.884778 1.633811 0.535856 ESP Fit Center 3988 is at 7.578507 1.926636 0.535856 ESP Fit Center 3989 is at 7.224871 2.160069 0.535856 ESP Fit Center 3990 is at 8.504865 0.078747 0.119100 ESP Fit Center 3991 is at 8.468403 0.495503 0.119100 ESP Fit Center 3992 is at 8.360127 0.899596 0.119100 ESP Fit Center 3993 is at 8.183326 1.278747 0.119100 ESP Fit Center 3994 is at 7.943371 1.621437 0.119100 ESP Fit Center 3995 is at 7.647555 1.917254 0.119100 ESP Fit Center 3996 is at 7.304865 2.157208 0.119100 ESP Fit Center 3997 is at 7.884778 1.633811 -0.297655 ESP Fit Center 3998 is at 7.578507 1.926636 -0.297655 ESP Fit Center 3999 is at 7.224871 2.160069 -0.297655 ESP Fit Center 4000 is at 7.884778 -1.476316 -0.297655 ESP Fit Center 4001 is at 8.133841 -1.133510 -0.297655 ESP Fit Center 4002 is at 7.041734 2.130206 -0.701748 ESP Fit Center 4003 is at 7.737075 -1.477562 -0.701748 ESP Fit Center 4004 is at 6.419601 2.133240 -1.080900 ESP Fit Center 4005 is at 5.997965 1.914143 -1.423590 ESP Fit Center 4006 is at 5.577575 1.840017 -1.423590 ESP Fit Center 4007 is at 5.185611 1.670941 -1.423590 ESP Fit Center 4008 is at 5.588249 1.532364 -1.719406 ESP Fit Center 4009 is at 5.215225 1.339079 -1.719406 ESP Fit Center 4010 is at 5.504865 1.117978 -1.959361 ESP Fit Center 4011 is at 5.185611 0.850092 -1.959361 ESP Fit Center 4012 is at 4.650900 -2.277641 2.022991 ESP Fit Center 4013 is at 4.271748 -2.277641 1.846190 ESP Fit Center 4014 is at 4.344117 -2.688065 1.846190 ESP Fit Center 4015 is at 4.552495 -3.048986 1.846190 ESP Fit Center 4016 is at 3.943426 -2.487704 1.606235 ESP Fit Center 4017 is at 4.056775 -2.892251 1.606235 ESP Fit Center 4018 is at 4.275066 -3.251214 1.606235 ESP Fit Center 4019 is at 4.582109 -3.537973 1.606235 ESP Fit Center 4020 is at 4.944458 -4.038911 1.310419 ESP Fit Center 4021 is at 5.579058 -4.530349 0.588577 ESP Fit Center 4022 is at 7.797304 -1.855615 0.184484 ESP Fit Center 4023 is at 5.365708 -4.638800 0.184484 ESP Fit Center 4024 is at 5.789013 -4.619789 0.184484 ESP Fit Center 4025 is at 6.202122 -4.525500 0.184484 ESP Fit Center 4026 is at 7.871748 -2.277641 -0.232271 ESP Fit Center 4027 is at 7.835287 -1.860885 -0.232271 ESP Fit Center 4028 is at 5.471748 -4.677641 -0.232271 ESP Fit Center 4029 is at 5.888504 -4.641180 -0.232271 ESP Fit Center 4030 is at 6.292596 -4.532903 -0.232271 ESP Fit Center 4031 is at 6.671748 -4.356102 -0.232271 ESP Fit Center 4032 is at 7.014438 -4.116148 -0.232271 ESP Fit Center 4033 is at 7.310255 -3.820331 -0.232271 ESP Fit Center 4034 is at 7.550209 -3.477641 -0.232271 ESP Fit Center 4035 is at 7.727010 -3.098489 -0.232271 ESP Fit Center 4036 is at 7.835287 -2.694397 -0.232271 ESP Fit Center 4037 is at 5.789013 -4.619789 -0.649027 ESP Fit Center 4038 is at 6.202122 -4.525500 -0.649027 ESP Fit Center 4039 is at 6.591755 -4.358963 -0.649027 ESP Fit Center 4040 is at 6.945390 -4.125530 -0.649027 ESP Fit Center 4041 is at 7.251661 -3.832705 -0.649027 ESP Fit Center 4042 is at 5.579058 -4.530349 -1.053120 ESP Fit Center 4043 is at 6.003446 -4.469331 -1.053120 ESP Fit Center 4044 is at 6.408618 -4.329100 -1.053120 ESP Fit Center 4045 is at 5.366476 -4.353434 -1.432271 ESP Fit Center 4046 is at 5.786485 -4.332134 -1.432271 ESP Fit Center 4047 is at 5.364848 -4.113037 -1.774962 ESP Fit Center 4048 is at 3.943426 -2.067578 -2.070778 ESP Fit Center 4049 is at 4.955132 -3.731258 -2.070778 ESP Fit Center 4050 is at 4.552495 -1.506296 -2.310732 ESP Fit Center 4051 is at 4.344117 -1.867217 -2.310732 ESP Fit Center 4052 is at 4.271748 -2.277641 -2.310732 ESP Fit Center 4053 is at 4.344117 -2.688065 -2.310732 ESP Fit Center 4054 is at 4.552495 -3.048986 -2.310732 ESP Fit Center 4055 is at 4.871748 -3.316872 -2.310732 ESP Fit Center 4056 is at 4.760872 -1.867217 -2.487534 ESP Fit Center 4057 is at 4.650900 -2.277641 -2.487534 ESP Fit Center 4058 is at 4.760872 -2.688065 -2.487534 ESP Fit Center 4059 is at 6.752517 -0.211912 2.858841 ESP Fit Center 4060 is at 7.179757 -0.211912 2.810703 ESP Fit Center 4061 is at 6.966137 0.158089 2.810703 ESP Fit Center 4062 is at 6.538897 0.158089 2.810703 ESP Fit Center 4063 is at 6.325277 -0.211912 2.810703 ESP Fit Center 4064 is at 6.538897 -0.581912 2.810703 ESP Fit Center 4065 is at 6.966137 -0.581912 2.810703 ESP Fit Center 4066 is at 7.585574 -0.211912 2.668701 ESP Fit Center 4067 is at 7.473965 0.204617 2.668701 ESP Fit Center 4068 is at 7.169045 0.509537 2.668701 ESP Fit Center 4069 is at 6.752517 0.621145 2.668701 ESP Fit Center 4070 is at 6.335988 0.509537 2.668701 ESP Fit Center 4071 is at 6.031069 0.204617 2.668701 ESP Fit Center 4072 is at 5.919460 -0.211912 2.668701 ESP Fit Center 4073 is at 6.031069 -0.628440 2.668701 ESP Fit Center 4074 is at 6.335988 -0.933360 2.668701 ESP Fit Center 4075 is at 6.752517 -1.044968 2.668701 ESP Fit Center 4076 is at 7.169045 -0.933360 2.668701 ESP Fit Center 4077 is at 7.473965 -0.628440 2.668701 ESP Fit Center 4078 is at 7.949617 -0.211912 2.439958 ESP Fit Center 4079 is at 7.877423 0.197521 2.439958 ESP Fit Center 4080 is at 7.669549 0.557570 2.439958 ESP Fit Center 4081 is at 7.351067 0.824808 2.439958 ESP Fit Center 4082 is at 6.960391 0.967002 2.439958 ESP Fit Center 4083 is at 6.544643 0.967002 2.439958 ESP Fit Center 4084 is at 6.153967 0.824808 2.439958 ESP Fit Center 4085 is at 5.555416 -0.211912 2.439958 ESP Fit Center 4086 is at 5.627610 -0.621344 2.439958 ESP Fit Center 4087 is at 5.835485 -0.981393 2.439958 ESP Fit Center 4088 is at 6.153967 -1.248631 2.439958 ESP Fit Center 4089 is at 6.544643 -1.390825 2.439958 ESP Fit Center 4090 is at 6.960391 -1.390825 2.439958 ESP Fit Center 4091 is at 7.351067 -1.248631 2.439958 ESP Fit Center 4092 is at 7.669549 -0.981393 2.439958 ESP Fit Center 4093 is at 7.877423 -0.621344 2.439958 ESP Fit Center 4094 is at 8.253633 -0.211912 2.135942 ESP Fit Center 4095 is at 8.192828 0.211002 2.135942 ESP Fit Center 4096 is at 8.015336 0.599653 2.135942 ESP Fit Center 4097 is at 7.735539 0.922557 2.135942 ESP Fit Center 4098 is at 7.376103 1.153552 2.135942 ESP Fit Center 4099 is at 6.966148 1.273926 2.135942 ESP Fit Center 4100 is at 6.966148 -1.697749 2.135942 ESP Fit Center 4101 is at 7.376103 -1.577375 2.135942 ESP Fit Center 4102 is at 7.735539 -1.346380 2.135942 ESP Fit Center 4103 is at 8.015336 -1.023476 2.135942 ESP Fit Center 4104 is at 8.192828 -0.634825 2.135942 ESP Fit Center 4105 is at 8.482377 -0.211912 1.771898 ESP Fit Center 4106 is at 8.432111 0.202071 1.771898 ESP Fit Center 4107 is at 8.284232 0.591995 1.771898 ESP Fit Center 4108 is at 8.047336 0.935198 1.771898 ESP Fit Center 4109 is at 7.735189 1.211736 1.771898 ESP Fit Center 4110 is at 7.365934 1.405536 1.771898 ESP Fit Center 4111 is at 7.735189 -1.635559 1.771898 ESP Fit Center 4112 is at 8.047336 -1.359021 1.771898 ESP Fit Center 4113 is at 8.284232 -1.015818 1.771898 ESP Fit Center 4114 is at 8.432111 -0.625894 1.771898 ESP Fit Center 4115 is at 8.624378 -0.211912 1.366081 ESP Fit Center 4116 is at 8.577447 0.204617 1.366081 ESP Fit Center 4117 is at 8.439006 0.600259 1.366081 ESP Fit Center 4118 is at 8.215997 0.955175 1.366081 ESP Fit Center 4119 is at 7.919603 1.251569 1.366081 ESP Fit Center 4120 is at 7.919603 -1.675392 1.366081 ESP Fit Center 4121 is at 8.215997 -1.378998 1.366081 ESP Fit Center 4122 is at 8.439006 -1.024082 1.366081 ESP Fit Center 4123 is at 8.577447 -0.628440 1.366081 ESP Fit Center 4124 is at 8.672517 -0.211912 0.938841 ESP Fit Center 4125 is at 8.627628 0.200832 0.938841 ESP Fit Center 4126 is at 8.495062 0.594276 0.938841 ESP Fit Center 4127 is at 8.281016 0.950023 0.938841 ESP Fit Center 4128 is at 7.995499 -1.675263 0.938841 ESP Fit Center 4129 is at 8.281016 -1.373846 0.938841 ESP Fit Center 4130 is at 8.495062 -1.018099 0.938841 ESP Fit Center 4131 is at 8.627628 -0.624655 0.938841 ESP Fit Center 4132 is at 8.624378 -0.211912 0.511601 ESP Fit Center 4133 is at 8.577447 0.204617 0.511601 ESP Fit Center 4134 is at 8.439006 0.600259 0.511601 ESP Fit Center 4135 is at 7.919603 -1.675392 0.511601 ESP Fit Center 4136 is at 8.215997 -1.378998 0.511601 ESP Fit Center 4137 is at 8.439006 -1.024082 0.511601 ESP Fit Center 4138 is at 8.577447 -0.628440 0.511601 ESP Fit Center 4139 is at 8.047336 -1.359021 0.105784 ESP Fit Center 4140 is at 8.284232 -1.015818 0.105784 ESP Fit Center 4141 is at 8.432111 -0.625894 0.105784 ESP Fit Center 4142 is at 5.883294 1.410432 2.199661 ESP Fit Center 4143 is at 5.456053 1.410432 2.199661 ESP Fit Center 4144 is at 5.242433 1.040431 2.199661 ESP Fit Center 4145 is at 6.086202 1.761880 2.057659 ESP Fit Center 4146 is at 5.669674 1.873488 2.057659 ESP Fit Center 4147 is at 5.253145 1.761880 2.057659 ESP Fit Center 4148 is at 4.948225 1.456960 2.057659 ESP Fit Center 4149 is at 4.836617 1.040431 2.057659 ESP Fit Center 4150 is at 6.586706 1.809913 1.828915 ESP Fit Center 4151 is at 6.268224 2.077151 1.828915 ESP Fit Center 4152 is at 5.877548 2.219345 1.828915 ESP Fit Center 4153 is at 5.461799 2.219345 1.828915 ESP Fit Center 4154 is at 5.071123 2.077151 1.828915 ESP Fit Center 4155 is at 4.752641 1.809913 1.828915 ESP Fit Center 4156 is at 6.932493 1.851996 1.524899 ESP Fit Center 4157 is at 6.652696 2.174899 1.524899 ESP Fit Center 4158 is at 6.293260 2.405895 1.524899 ESP Fit Center 4159 is at 5.883305 2.526268 1.524899 ESP Fit Center 4160 is at 5.456042 2.526268 1.524899 ESP Fit Center 4161 is at 5.046087 2.405895 1.524899 ESP Fit Center 4162 is at 4.686651 2.174899 1.524899 ESP Fit Center 4163 is at 6.964493 2.187541 1.160856 ESP Fit Center 4164 is at 6.652346 2.464078 1.160856 ESP Fit Center 4165 is at 6.283090 2.657879 1.160856 ESP Fit Center 4166 is at 5.878185 2.757679 1.160856 ESP Fit Center 4167 is at 5.461162 2.757679 1.160856 ESP Fit Center 4168 is at 5.056257 2.657879 1.160856 ESP Fit Center 4169 is at 4.687001 2.464078 1.160856 ESP Fit Center 4170 is at 7.133154 2.207518 0.755039 ESP Fit Center 4171 is at 6.836760 2.503912 0.755039 ESP Fit Center 4172 is at 6.481844 2.726920 0.755039 ESP Fit Center 4173 is at 6.086202 2.865361 0.755039 ESP Fit Center 4174 is at 5.669674 2.912293 0.755039 ESP Fit Center 4175 is at 5.253145 2.865361 0.755039 ESP Fit Center 4176 is at 4.857503 2.726920 0.755039 ESP Fit Center 4177 is at 6.912655 2.503782 0.327799 ESP Fit Center 4178 is at 6.569018 2.736774 0.327799 ESP Fit Center 4179 is at 6.183328 2.890447 0.327799 ESP Fit Center 4180 is at 5.773620 2.957615 0.327799 ESP Fit Center 4181 is at 5.359052 2.935138 0.327799 ESP Fit Center 4182 is at 4.959008 2.824067 0.327799 ESP Fit Center 4183 is at 6.836760 2.503912 -0.099441 ESP Fit Center 4184 is at 6.481844 2.726920 -0.099441 ESP Fit Center 4185 is at 6.086202 2.865361 -0.099441 ESP Fit Center 4186 is at 5.669674 2.912293 -0.099441 ESP Fit Center 4187 is at 5.253145 2.865361 -0.099441 ESP Fit Center 4188 is at 4.857503 2.726920 -0.099441 ESP Fit Center 4189 is at 6.652346 2.464078 -0.505258 ESP Fit Center 4190 is at 6.283090 2.657879 -0.505258 ESP Fit Center 4191 is at 5.878185 2.757679 -0.505258 ESP Fit Center 4192 is at 5.461162 2.757679 -0.505258 ESP Fit Center 4193 is at 5.056257 2.657879 -0.505258 ESP Fit Center 4194 is at 6.293260 2.405895 -0.869301 ESP Fit Center 4195 is at 5.883305 2.526268 -0.869301 ESP Fit Center 4196 is at 5.456042 2.526268 -0.869301 ESP Fit Center 4197 is at 5.046087 2.405895 -0.869301 ESP Fit Center 4198 is at 5.877548 2.219345 -1.173318 ESP Fit Center 4199 is at 5.461799 2.219345 -1.173318 ESP Fit Center 4200 is at 5.071123 2.077151 -1.173318 ESP Fit Center 4201 is at 5.253145 1.761880 -1.402061 ESP Fit Center 4202 is at 8.570773 0.141003 -0.359687 ESP Fit Center 4203 is at 8.523842 0.557532 -0.359687 ESP Fit Center 4204 is at 8.385401 0.953174 -0.359687 ESP Fit Center 4205 is at 8.162392 1.308090 -0.359687 ESP Fit Center 4206 is at 8.385401 -0.671167 -0.359687 ESP Fit Center 4207 is at 8.523842 -0.275525 -0.359687 ESP Fit Center 4208 is at 8.618912 0.141003 -0.786927 ESP Fit Center 4209 is at 8.574023 0.553747 -0.786927 ESP Fit Center 4210 is at 8.441456 0.947190 -0.786927 ESP Fit Center 4211 is at 8.227410 1.302938 -0.786927 ESP Fit Center 4212 is at 7.941893 1.604354 -0.786927 ESP Fit Center 4213 is at 7.598256 1.837346 -0.786927 ESP Fit Center 4214 is at 7.941893 -1.322348 -0.786927 ESP Fit Center 4215 is at 8.227410 -1.020931 -0.786927 ESP Fit Center 4216 is at 8.441456 -0.665184 -0.786927 ESP Fit Center 4217 is at 8.574023 -0.271740 -0.786927 ESP Fit Center 4218 is at 8.570773 0.141003 -1.214167 ESP Fit Center 4219 is at 8.523842 0.557532 -1.214167 ESP Fit Center 4220 is at 8.385401 0.953174 -1.214167 ESP Fit Center 4221 is at 8.162392 1.308090 -1.214167 ESP Fit Center 4222 is at 7.865998 1.604484 -1.214167 ESP Fit Center 4223 is at 7.511082 1.827492 -1.214167 ESP Fit Center 4224 is at 7.115440 1.965933 -1.214167 ESP Fit Center 4225 is at 6.698912 2.012865 -1.214167 ESP Fit Center 4226 is at 7.865998 -1.322477 -1.214167 ESP Fit Center 4227 is at 8.162392 -1.026083 -1.214167 ESP Fit Center 4228 is at 8.385401 -0.671167 -1.214167 ESP Fit Center 4229 is at 8.523842 -0.275525 -1.214167 ESP Fit Center 4230 is at 8.428772 0.141003 -1.619984 ESP Fit Center 4231 is at 8.378505 0.554986 -1.619984 ESP Fit Center 4232 is at 8.230627 0.944909 -1.619984 ESP Fit Center 4233 is at 7.993731 1.288113 -1.619984 ESP Fit Center 4234 is at 7.681584 1.564650 -1.619984 ESP Fit Center 4235 is at 7.312329 1.758451 -1.619984 ESP Fit Center 4236 is at 6.907423 1.858251 -1.619984 ESP Fit Center 4237 is at 6.490400 1.858251 -1.619984 ESP Fit Center 4238 is at 6.085495 1.758451 -1.619984 ESP Fit Center 4239 is at 7.681584 -1.282644 -1.619984 ESP Fit Center 4240 is at 7.993731 -1.006106 -1.619984 ESP Fit Center 4241 is at 8.230627 -0.662903 -1.619984 ESP Fit Center 4242 is at 8.378505 -0.272979 -1.619984 ESP Fit Center 4243 is at 8.200028 0.141003 -1.984028 ESP Fit Center 4244 is at 8.139222 0.563917 -1.984028 ESP Fit Center 4245 is at 7.961731 0.952568 -1.984028 ESP Fit Center 4246 is at 7.681934 1.275471 -1.984028 ESP Fit Center 4247 is at 7.322498 1.506467 -1.984028 ESP Fit Center 4248 is at 6.912543 1.626841 -1.984028 ESP Fit Center 4249 is at 6.485280 1.626841 -1.984028 ESP Fit Center 4250 is at 6.075325 1.506467 -1.984028 ESP Fit Center 4251 is at 5.715889 1.275471 -1.984028 ESP Fit Center 4252 is at 7.681934 -0.993465 -1.984028 ESP Fit Center 4253 is at 7.961731 -0.670561 -1.984028 ESP Fit Center 4254 is at 8.139222 -0.281910 -1.984028 ESP Fit Center 4255 is at 7.896012 0.141003 -2.288044 ESP Fit Center 4256 is at 7.823818 0.550436 -2.288044 ESP Fit Center 4257 is at 7.615944 0.910485 -2.288044 ESP Fit Center 4258 is at 7.297462 1.177723 -2.288044 ESP Fit Center 4259 is at 6.906786 1.319917 -2.288044 ESP Fit Center 4260 is at 6.491037 1.319917 -2.288044 ESP Fit Center 4261 is at 6.100361 1.177723 -2.288044 ESP Fit Center 4262 is at 5.781880 0.910485 -2.288044 ESP Fit Center 4263 is at 5.574005 0.550436 -2.288044 ESP Fit Center 4264 is at 5.501811 0.141003 -2.288044 ESP Fit Center 4265 is at 6.906786 -1.037910 -2.288044 ESP Fit Center 4266 is at 7.297462 -0.895716 -2.288044 ESP Fit Center 4267 is at 7.615944 -0.628478 -2.288044 ESP Fit Center 4268 is at 7.823818 -0.268429 -2.288044 ESP Fit Center 4269 is at 7.531968 0.141003 -2.516787 ESP Fit Center 4270 is at 7.420360 0.557532 -2.516787 ESP Fit Center 4271 is at 7.115440 0.862452 -2.516787 ESP Fit Center 4272 is at 6.698912 0.974060 -2.516787 ESP Fit Center 4273 is at 6.282383 0.862452 -2.516787 ESP Fit Center 4274 is at 5.977463 0.557532 -2.516787 ESP Fit Center 4275 is at 5.865855 0.141003 -2.516787 ESP Fit Center 4276 is at 5.977463 -0.275525 -2.516787 ESP Fit Center 4277 is at 6.282383 -0.580445 -2.516787 ESP Fit Center 4278 is at 6.698912 -0.692053 -2.516787 ESP Fit Center 4279 is at 7.115440 -0.580445 -2.516787 ESP Fit Center 4280 is at 7.420360 -0.275525 -2.516787 ESP Fit Center 4281 is at 7.126152 0.141003 -2.658789 ESP Fit Center 4282 is at 6.912532 0.511004 -2.658789 ESP Fit Center 4283 is at 6.485292 0.511004 -2.658789 ESP Fit Center 4284 is at 6.271671 0.141003 -2.658789 ESP Fit Center 4285 is at 6.485292 -0.228998 -2.658789 ESP Fit Center 4286 is at 6.912532 -0.228998 -2.658789 ESP Fit Center 4287 is at 6.698912 0.141003 -2.706927 ESP Fit Center 4288 is at 6.055816 -2.614322 2.537228 ESP Fit Center 4289 is at 6.483056 -2.614322 2.489090 ESP Fit Center 4290 is at 6.269436 -2.244322 2.489090 ESP Fit Center 4291 is at 5.842196 -2.244322 2.489090 ESP Fit Center 4292 is at 5.628576 -2.614322 2.489090 ESP Fit Center 4293 is at 5.842196 -2.984323 2.489090 ESP Fit Center 4294 is at 6.269436 -2.984323 2.489090 ESP Fit Center 4295 is at 6.888873 -2.614322 2.347089 ESP Fit Center 4296 is at 6.777264 -2.197794 2.347089 ESP Fit Center 4297 is at 6.472344 -1.892874 2.347089 ESP Fit Center 4298 is at 6.055816 -1.781266 2.347089 ESP Fit Center 4299 is at 5.639288 -1.892874 2.347089 ESP Fit Center 4300 is at 5.334368 -2.197794 2.347089 ESP Fit Center 4301 is at 5.222759 -2.614322 2.347089 ESP Fit Center 4302 is at 5.334368 -3.030851 2.347089 ESP Fit Center 4303 is at 5.639288 -3.335771 2.347089 ESP Fit Center 4304 is at 6.055816 -3.447379 2.347089 ESP Fit Center 4305 is at 6.472344 -3.335771 2.347089 ESP Fit Center 4306 is at 6.777264 -3.030851 2.347089 ESP Fit Center 4307 is at 7.252916 -2.614322 2.118345 ESP Fit Center 4308 is at 7.180722 -2.204890 2.118345 ESP Fit Center 4309 is at 6.972848 -1.844841 2.118345 ESP Fit Center 4310 is at 4.930910 -2.204890 2.118345 ESP Fit Center 4311 is at 4.858716 -2.614322 2.118345 ESP Fit Center 4312 is at 4.930910 -3.023755 2.118345 ESP Fit Center 4313 is at 5.138784 -3.383804 2.118345 ESP Fit Center 4314 is at 5.457266 -3.651042 2.118345 ESP Fit Center 4315 is at 5.847942 -3.793236 2.118345 ESP Fit Center 4316 is at 6.263690 -3.793236 2.118345 ESP Fit Center 4317 is at 6.654366 -3.651042 2.118345 ESP Fit Center 4318 is at 6.972848 -3.383804 2.118345 ESP Fit Center 4319 is at 7.180722 -3.023755 2.118345 ESP Fit Center 4320 is at 7.556932 -2.614322 1.814329 ESP Fit Center 4321 is at 7.496127 -2.191409 1.814329 ESP Fit Center 4322 is at 4.792996 -3.425887 1.814329 ESP Fit Center 4323 is at 5.072794 -3.748791 1.814329 ESP Fit Center 4324 is at 5.432230 -3.979786 1.814329 ESP Fit Center 4325 is at 5.842185 -4.100160 1.814329 ESP Fit Center 4326 is at 6.269447 -4.100160 1.814329 ESP Fit Center 4327 is at 6.679402 -3.979786 1.814329 ESP Fit Center 4328 is at 7.038838 -3.748791 1.814329 ESP Fit Center 4329 is at 7.318636 -3.425887 1.814329 ESP Fit Center 4330 is at 7.496127 -3.037236 1.814329 ESP Fit Center 4331 is at 7.785676 -2.614322 1.450285 ESP Fit Center 4332 is at 7.735410 -2.200340 1.450285 ESP Fit Center 4333 is at 5.073143 -4.037970 1.450285 ESP Fit Center 4334 is at 5.442399 -4.231770 1.450285 ESP Fit Center 4335 is at 5.847304 -4.331570 1.450285 ESP Fit Center 4336 is at 6.264328 -4.331570 1.450285 ESP Fit Center 4337 is at 6.669233 -4.231770 1.450285 ESP Fit Center 4338 is at 7.038489 -4.037970 1.450285 ESP Fit Center 4339 is at 7.350635 -3.761432 1.450285 ESP Fit Center 4340 is at 7.587531 -3.418229 1.450285 ESP Fit Center 4341 is at 7.735410 -3.028305 1.450285 ESP Fit Center 4342 is at 7.927678 -2.614322 1.044469 ESP Fit Center 4343 is at 7.880746 -2.197794 1.044469 ESP Fit Center 4344 is at 5.243646 -4.300812 1.044469 ESP Fit Center 4345 is at 5.639288 -4.439253 1.044469 ESP Fit Center 4346 is at 6.055816 -4.486184 1.044469 ESP Fit Center 4347 is at 6.472344 -4.439253 1.044469 ESP Fit Center 4348 is at 6.867986 -4.300812 1.044469 ESP Fit Center 4349 is at 7.222903 -4.077803 1.044469 ESP Fit Center 4350 is at 7.519296 -3.781409 1.044469 ESP Fit Center 4351 is at 7.742305 -3.426493 1.044469 ESP Fit Center 4352 is at 7.880746 -3.030851 1.044469 ESP Fit Center 4353 is at 7.975816 -2.614322 0.617228 ESP Fit Center 4354 is at 7.930927 -2.201579 0.617228 ESP Fit Center 4355 is at 7.798361 -1.808135 0.617228 ESP Fit Center 4356 is at 5.745195 -4.509029 0.617228 ESP Fit Center 4357 is at 6.159763 -4.531507 0.617228 ESP Fit Center 4358 is at 6.569470 -4.464338 0.617228 ESP Fit Center 4359 is at 6.955160 -4.310666 0.617228 ESP Fit Center 4360 is at 7.298798 -4.077674 0.617228 ESP Fit Center 4361 is at 7.584315 -3.776257 0.617228 ESP Fit Center 4362 is at 7.798361 -3.420510 0.617228 ESP Fit Center 4363 is at 7.930927 -3.027066 0.617228 ESP Fit Center 4364 is at 7.927678 -2.614322 0.189988 ESP Fit Center 4365 is at 7.880746 -2.197794 0.189988 ESP Fit Center 4366 is at 6.472344 -4.439253 0.189988 ESP Fit Center 4367 is at 6.867986 -4.300812 0.189988 ESP Fit Center 4368 is at 7.222903 -4.077803 0.189988 ESP Fit Center 4369 is at 7.519296 -3.781409 0.189988 ESP Fit Center 4370 is at 7.742305 -3.426493 0.189988 ESP Fit Center 4371 is at 7.880746 -3.030851 0.189988 ESP Fit Center 4372 is at 7.587531 -3.418229 -0.215828 ESP Fit Center 4373 is at 7.952903 -2.367341 -0.698290 ESP Fit Center 4374 is at 7.905972 -1.950813 -0.698290 ESP Fit Center 4375 is at 7.767531 -1.555171 -0.698290 ESP Fit Center 4376 is at 7.248129 -3.830822 -0.698290 ESP Fit Center 4377 is at 7.544522 -3.534428 -0.698290 ESP Fit Center 4378 is at 7.767531 -3.179512 -0.698290 ESP Fit Center 4379 is at 7.905972 -2.783870 -0.698290 ESP Fit Center 4380 is at 8.001042 -2.367341 -1.125530 ESP Fit Center 4381 is at 7.956153 -1.954598 -1.125530 ESP Fit Center 4382 is at 7.823587 -1.561154 -1.125530 ESP Fit Center 4383 is at 6.594696 -4.217357 -1.125530 ESP Fit Center 4384 is at 6.980386 -4.063685 -1.125530 ESP Fit Center 4385 is at 7.324024 -3.830693 -1.125530 ESP Fit Center 4386 is at 7.609541 -3.529276 -1.125530 ESP Fit Center 4387 is at 7.823587 -3.173529 -1.125530 ESP Fit Center 4388 is at 7.956153 -2.780085 -1.125530 ESP Fit Center 4389 is at 7.952903 -2.367341 -1.552770 ESP Fit Center 4390 is at 7.905972 -1.950813 -1.552770 ESP Fit Center 4391 is at 7.767531 -1.555171 -1.552770 ESP Fit Center 4392 is at 6.081042 -4.239203 -1.552770 ESP Fit Center 4393 is at 6.497570 -4.192272 -1.552770 ESP Fit Center 4394 is at 6.893212 -4.053831 -1.552770 ESP Fit Center 4395 is at 7.248129 -3.830822 -1.552770 ESP Fit Center 4396 is at 7.544522 -3.534428 -1.552770 ESP Fit Center 4397 is at 7.767531 -3.179512 -1.552770 ESP Fit Center 4398 is at 7.905972 -2.783870 -1.552770 ESP Fit Center 4399 is at 7.810902 -2.367341 -1.958587 ESP Fit Center 4400 is at 7.760636 -1.953359 -1.958587 ESP Fit Center 4401 is at 7.612757 -1.563435 -1.958587 ESP Fit Center 4402 is at 5.467625 -3.984789 -1.958587 ESP Fit Center 4403 is at 5.872530 -4.084589 -1.958587 ESP Fit Center 4404 is at 6.289554 -4.084589 -1.958587 ESP Fit Center 4405 is at 6.694459 -3.984789 -1.958587 ESP Fit Center 4406 is at 7.063715 -3.790989 -1.958587 ESP Fit Center 4407 is at 7.375861 -3.514451 -1.958587 ESP Fit Center 4408 is at 7.612757 -3.171248 -1.958587 ESP Fit Center 4409 is at 7.760636 -2.781324 -1.958587 ESP Fit Center 4410 is at 7.582158 -2.367341 -2.322630 ESP Fit Center 4411 is at 7.521353 -1.944428 -2.322630 ESP Fit Center 4412 is at 7.343861 -1.555777 -2.322630 ESP Fit Center 4413 is at 7.064064 -1.232873 -2.322630 ESP Fit Center 4414 is at 5.867411 -0.881504 -2.322630 ESP Fit Center 4415 is at 5.098020 -3.501810 -2.322630 ESP Fit Center 4416 is at 5.457456 -3.732805 -2.322630 ESP Fit Center 4417 is at 5.867411 -3.853179 -2.322630 ESP Fit Center 4418 is at 6.294673 -3.853179 -2.322630 ESP Fit Center 4419 is at 6.704628 -3.732805 -2.322630 ESP Fit Center 4420 is at 7.064064 -3.501810 -2.322630 ESP Fit Center 4421 is at 7.343861 -3.178906 -2.322630 ESP Fit Center 4422 is at 7.521353 -2.790255 -2.322630 ESP Fit Center 4423 is at 7.278142 -2.367341 -2.626646 ESP Fit Center 4424 is at 7.205948 -1.957909 -2.626646 ESP Fit Center 4425 is at 6.998074 -1.597860 -2.626646 ESP Fit Center 4426 is at 6.679592 -1.330622 -2.626646 ESP Fit Center 4427 is at 6.288916 -1.188428 -2.626646 ESP Fit Center 4428 is at 5.873168 -1.188428 -2.626646 ESP Fit Center 4429 is at 5.482492 -1.330622 -2.626646 ESP Fit Center 4430 is at 5.164010 -1.597860 -2.626646 ESP Fit Center 4431 is at 4.956135 -1.957909 -2.626646 ESP Fit Center 4432 is at 4.883941 -2.367341 -2.626646 ESP Fit Center 4433 is at 4.956135 -2.776774 -2.626646 ESP Fit Center 4434 is at 5.164010 -3.136823 -2.626646 ESP Fit Center 4435 is at 5.482492 -3.404061 -2.626646 ESP Fit Center 4436 is at 5.873168 -3.546255 -2.626646 ESP Fit Center 4437 is at 6.288916 -3.546255 -2.626646 ESP Fit Center 4438 is at 6.679592 -3.404061 -2.626646 ESP Fit Center 4439 is at 6.998074 -3.136823 -2.626646 ESP Fit Center 4440 is at 7.205948 -2.776774 -2.626646 ESP Fit Center 4441 is at 6.914099 -2.367341 -2.855390 ESP Fit Center 4442 is at 6.802490 -1.950813 -2.855390 ESP Fit Center 4443 is at 6.497570 -1.645893 -2.855390 ESP Fit Center 4444 is at 6.081042 -1.534285 -2.855390 ESP Fit Center 4445 is at 5.664514 -1.645893 -2.855390 ESP Fit Center 4446 is at 5.359594 -1.950813 -2.855390 ESP Fit Center 4447 is at 5.247985 -2.367341 -2.855390 ESP Fit Center 4448 is at 5.359594 -2.783870 -2.855390 ESP Fit Center 4449 is at 5.664514 -3.088790 -2.855390 ESP Fit Center 4450 is at 6.081042 -3.200398 -2.855390 ESP Fit Center 4451 is at 6.497570 -3.088790 -2.855390 ESP Fit Center 4452 is at 6.802490 -2.783870 -2.855390 ESP Fit Center 4453 is at 6.508282 -2.367341 -2.997391 ESP Fit Center 4454 is at 6.294662 -1.997341 -2.997391 ESP Fit Center 4455 is at 5.867422 -1.997341 -2.997391 ESP Fit Center 4456 is at 5.653802 -2.367341 -2.997391 ESP Fit Center 4457 is at 5.867422 -2.737342 -2.997391 ESP Fit Center 4458 is at 6.294662 -2.737342 -2.997391 ESP Fit Center 4459 is at 6.081042 -2.367341 -3.045530 ESP Fit Center 4460 is at 3.777605 -2.922585 1.393604 ESP Fit Center 4461 is at 3.889213 -3.339113 1.393604 ESP Fit Center 4462 is at 4.194133 -3.644033 1.393604 ESP Fit Center 4463 is at 3.413561 -2.922585 1.164860 ESP Fit Center 4464 is at 3.485755 -3.332017 1.164860 ESP Fit Center 4465 is at 3.693629 -3.692066 1.164860 ESP Fit Center 4466 is at 4.012111 -3.959304 1.164860 ESP Fit Center 4467 is at 4.402787 -4.101498 1.164860 ESP Fit Center 4468 is at 3.170351 -3.345498 0.860844 ESP Fit Center 4469 is at 3.347842 -3.734149 0.860844 ESP Fit Center 4470 is at 3.627639 -4.057053 0.860844 ESP Fit Center 4471 is at 3.987075 -4.288048 0.860844 ESP Fit Center 4472 is at 4.397030 -4.408422 0.860844 ESP Fit Center 4473 is at 4.824293 -4.408422 0.860844 ESP Fit Center 4474 is at 2.931068 -3.336567 0.496800 ESP Fit Center 4475 is at 3.078946 -3.726491 0.496800 ESP Fit Center 4476 is at 3.315843 -4.069694 0.496800 ESP Fit Center 4477 is at 3.627989 -4.346232 0.496800 ESP Fit Center 4478 is at 3.997245 -4.540032 0.496800 ESP Fit Center 4479 is at 4.402150 -4.639832 0.496800 ESP Fit Center 4480 is at 4.819173 -4.639832 0.496800 ESP Fit Center 4481 is at 2.785731 -3.339113 0.090984 ESP Fit Center 4482 is at 2.924173 -3.734755 0.090984 ESP Fit Center 4483 is at 3.147181 -4.089671 0.090984 ESP Fit Center 4484 is at 3.443575 -4.386065 0.090984 ESP Fit Center 4485 is at 3.798491 -4.609074 0.090984 ESP Fit Center 4486 is at 4.194133 -4.747515 0.090984 ESP Fit Center 4487 is at 4.610662 -4.794446 0.090984 ESP Fit Center 4488 is at 5.027190 -4.747515 0.090984 ESP Fit Center 4489 is at 2.791167 -3.535643 -0.336257 ESP Fit Center 4490 is at 2.965496 -3.912448 -0.336257 ESP Fit Center 4491 is at 3.216750 -4.242967 -0.336257 ESP Fit Center 4492 is at 3.533182 -4.511747 -0.336257 ESP Fit Center 4493 is at 3.899996 -4.706220 -0.336257 ESP Fit Center 4494 is at 4.300040 -4.817291 -0.336257 ESP Fit Center 4495 is at 4.714608 -4.839769 -0.336257 ESP Fit Center 4496 is at 5.124316 -4.772601 -0.336257 ESP Fit Center 4497 is at 2.785731 -3.339113 -0.763497 ESP Fit Center 4498 is at 2.924173 -3.734755 -0.763497 ESP Fit Center 4499 is at 3.147181 -4.089671 -0.763497 ESP Fit Center 4500 is at 3.443575 -4.386065 -0.763497 ESP Fit Center 4501 is at 3.798491 -4.609074 -0.763497 ESP Fit Center 4502 is at 4.194133 -4.747515 -0.763497 ESP Fit Center 4503 is at 4.610662 -4.794446 -0.763497 ESP Fit Center 4504 is at 5.027190 -4.747515 -0.763497 ESP Fit Center 4505 is at 2.931068 -3.336567 -1.169313 ESP Fit Center 4506 is at 3.078946 -3.726491 -1.169313 ESP Fit Center 4507 is at 3.315843 -4.069694 -1.169313 ESP Fit Center 4508 is at 3.627989 -4.346232 -1.169313 ESP Fit Center 4509 is at 3.997245 -4.540032 -1.169313 ESP Fit Center 4510 is at 4.402150 -4.639832 -1.169313 ESP Fit Center 4511 is at 4.819173 -4.639832 -1.169313 ESP Fit Center 4512 is at 5.224078 -4.540032 -1.169313 ESP Fit Center 4513 is at 3.109545 -2.922585 -1.533357 ESP Fit Center 4514 is at 3.170351 -3.345498 -1.533357 ESP Fit Center 4515 is at 3.347842 -3.734149 -1.533357 ESP Fit Center 4516 is at 3.627639 -4.057053 -1.533357 ESP Fit Center 4517 is at 3.987075 -4.288048 -1.533357 ESP Fit Center 4518 is at 4.397030 -4.408422 -1.533357 ESP Fit Center 4519 is at 4.824293 -4.408422 -1.533357 ESP Fit Center 4520 is at 5.234248 -4.288048 -1.533357 ESP Fit Center 4521 is at 3.485755 -2.513152 -1.837373 ESP Fit Center 4522 is at 3.413561 -2.922585 -1.837373 ESP Fit Center 4523 is at 3.485755 -3.332017 -1.837373 ESP Fit Center 4524 is at 3.693629 -3.692066 -1.837373 ESP Fit Center 4525 is at 4.012111 -3.959304 -1.837373 ESP Fit Center 4526 is at 4.402787 -4.101498 -1.837373 ESP Fit Center 4527 is at 4.818536 -4.101498 -1.837373 ESP Fit Center 4528 is at 3.889213 -2.506056 -2.066117 ESP Fit Center 4529 is at 3.777605 -2.922585 -2.066117 ESP Fit Center 4530 is at 3.889213 -3.339113 -2.066117 ESP Fit Center 4531 is at 4.194133 -3.644033 -2.066117 ESP Fit Center 4532 is at 4.610662 -3.755641 -2.066117 ESP Fit Center 4533 is at 4.183421 -2.922585 -2.208118 ESP Fit Center 4534 is at 4.397041 -3.292585 -2.208118 ESP Fit Center 4535 is at -0.434103 -4.477738 -0.419499 ESP Fit Center 4536 is at 0.274767 -1.530749 -2.181472 ESP Fit Center 4537 is at -2.495135 -2.097072 3.884403 ESP Fit Center 4538 is at -2.606916 -2.514245 3.884403 ESP Fit Center 4539 is at -2.495135 -2.931418 3.884403 ESP Fit Center 4540 is at -2.189743 -3.236810 3.884403 ESP Fit Center 4541 is at -1.772570 -3.348591 3.884403 ESP Fit Center 4542 is at -2.711568 -1.726332 3.722268 ESP Fit Center 4543 is at -2.924421 -2.095005 3.722268 ESP Fit Center 4544 is at -2.998345 -2.514245 3.722268 ESP Fit Center 4545 is at -2.924421 -2.933484 3.722268 ESP Fit Center 4546 is at -2.711568 -3.302158 3.722268 ESP Fit Center 4547 is at -2.385458 -3.575797 3.722268 ESP Fit Center 4548 is at -1.985424 -3.721397 3.722268 ESP Fit Center 4549 is at -1.559717 -3.721397 3.722268 ESP Fit Center 4550 is at -3.305514 -2.924996 3.500896 ESP Fit Center 4551 is at -3.146970 -3.307755 3.500896 ESP Fit Center 4552 is at -2.894763 -3.636438 3.500896 ESP Fit Center 4553 is at -2.566080 -3.888645 3.500896 ESP Fit Center 4554 is at -2.183321 -4.047189 3.500896 ESP Fit Center 4555 is at -1.772570 -4.101265 3.500896 ESP Fit Center 4556 is at -1.361819 -4.047189 3.500896 ESP Fit Center 4557 is at -0.979060 -3.888645 3.500896 ESP Fit Center 4558 is at -3.492690 -3.342611 3.225738 ESP Fit Center 4559 is at -3.265234 -3.704604 3.225738 ESP Fit Center 4560 is at -2.962930 -4.006908 3.225738 ESP Fit Center 4561 is at -2.600936 -4.234364 3.225738 ESP Fit Center 4562 is at -0.944205 -4.234364 3.225738 ESP Fit Center 4563 is at -0.582211 -4.006908 3.225738 ESP Fit Center 4564 is at -3.489582 -3.864518 2.903570 ESP Fit Center 4565 is at -3.203013 -4.165063 2.903570 ESP Fit Center 4566 is at -0.191685 -4.021616 2.903570 ESP Fit Center 4567 is at -3.615457 -4.060610 2.542324 ESP Fit Center 4568 is at -3.318936 -4.357132 2.542324 ESP Fit Center 4569 is at 0.070316 -4.060610 2.542324 ESP Fit Center 4570 is at 0.310842 -3.717104 2.542324 ESP Fit Center 4571 is at -3.798967 -4.091453 2.150896 ESP Fit Center 4572 is at -3.511730 -4.403476 2.150896 ESP Fit Center 4573 is at 0.253826 -4.091453 2.150896 ESP Fit Center 4574 is at 0.485789 -3.736408 2.150896 ESP Fit Center 4575 is at 0.656149 -3.348025 2.150896 ESP Fit Center 4576 is at -3.930023 -4.081726 1.738923 ESP Fit Center 4577 is at -3.658253 -4.399928 1.738923 ESP Fit Center 4578 is at 0.384883 -4.081726 1.738923 ESP Fit Center 4579 is at 0.603529 -3.724928 1.738923 ESP Fit Center 4580 is at 0.763668 -3.338319 1.738923 ESP Fit Center 4581 is at 0.861356 -2.931418 1.738923 ESP Fit Center 4582 is at -3.855591 -4.232100 1.316550 ESP Fit Center 4583 is at 0.435839 -4.067605 1.316550 ESP Fit Center 4584 is at 0.647077 -3.712289 1.316550 ESP Fit Center 4585 is at 0.384883 -4.081726 0.894177 ESP Fit Center 4586 is at -3.293520 -4.300796 -0.094829 ESP Fit Center 4587 is at -3.473050 -4.330534 -0.488478 ESP Fit Center 4588 is at -3.124235 -4.574777 -0.488478 ESP Fit Center 4589 is at -2.738308 -4.754737 -0.488478 ESP Fit Center 4590 is at -2.326994 -4.864949 -0.488478 ESP Fit Center 4591 is at -1.902791 -4.902062 -0.488478 ESP Fit Center 4592 is at -1.478588 -4.864949 -0.488478 ESP Fit Center 4593 is at -1.067274 -4.754737 -0.488478 ESP Fit Center 4594 is at -0.681347 -4.574777 -0.488478 ESP Fit Center 4595 is at -3.396149 -4.478326 -0.899001 ESP Fit Center 4596 is at -3.033430 -4.701661 -0.899001 ESP Fit Center 4597 is at -2.638184 -4.860483 -0.899001 ESP Fit Center 4598 is at -2.221783 -4.950225 -0.899001 ESP Fit Center 4599 is at -1.796205 -4.968303 -0.899001 ESP Fit Center 4600 is at -1.373693 -4.914198 -0.899001 ESP Fit Center 4601 is at -0.966402 -4.789467 -0.899001 ESP Fit Center 4602 is at -0.586049 -4.597697 -0.899001 ESP Fit Center 4603 is at -0.243577 -4.344406 -0.899001 ESP Fit Center 4604 is at -3.396149 -4.478326 -1.315201 ESP Fit Center 4605 is at -3.033430 -4.701661 -1.315201 ESP Fit Center 4606 is at -2.638184 -4.860483 -1.315201 ESP Fit Center 4607 is at -2.221783 -4.950225 -1.315201 ESP Fit Center 4608 is at -1.796205 -4.968303 -1.315201 ESP Fit Center 4609 is at -1.373693 -4.914198 -1.315201 ESP Fit Center 4610 is at -0.966402 -4.789467 -1.315201 ESP Fit Center 4611 is at -0.586049 -4.597697 -1.315201 ESP Fit Center 4612 is at -0.243577 -4.344406 -1.315201 ESP Fit Center 4613 is at 0.051162 -4.036880 -1.315201 ESP Fit Center 4614 is at -3.473050 -4.330534 -1.725725 ESP Fit Center 4615 is at -3.124235 -4.574777 -1.725725 ESP Fit Center 4616 is at -2.738308 -4.754737 -1.725725 ESP Fit Center 4617 is at -2.326994 -4.864949 -1.725725 ESP Fit Center 4618 is at -1.902791 -4.902062 -1.725725 ESP Fit Center 4619 is at -1.478588 -4.864949 -1.725725 ESP Fit Center 4620 is at -1.067274 -4.754737 -1.725725 ESP Fit Center 4621 is at -0.681347 -4.574777 -1.725725 ESP Fit Center 4622 is at -0.332532 -4.330534 -1.725725 ESP Fit Center 4623 is at -0.031430 -4.029431 -1.725725 ESP Fit Center 4624 is at 0.212813 -3.680617 -1.725725 ESP Fit Center 4625 is at -3.293520 -4.300796 -2.119374 ESP Fit Center 4626 is at -2.931443 -4.524985 -2.119374 ESP Fit Center 4627 is at -2.534336 -4.678825 -2.119374 ESP Fit Center 4628 is at -2.115723 -4.757077 -2.119374 ESP Fit Center 4629 is at -1.689859 -4.757077 -2.119374 ESP Fit Center 4630 is at -1.271246 -4.678825 -2.119374 ESP Fit Center 4631 is at -0.874139 -4.524985 -2.119374 ESP Fit Center 4632 is at -0.512062 -4.300796 -2.119374 ESP Fit Center 4633 is at -0.197344 -4.013893 -2.119374 ESP Fit Center 4634 is at 0.059297 -3.674046 -2.119374 ESP Fit Center 4635 is at 0.249121 -3.292828 -2.119374 ESP Fit Center 4636 is at 0.365664 -2.883221 -2.119374 ESP Fit Center 4637 is at 0.206868 -2.459173 -2.485411 ESP Fit Center 4638 is at 0.163684 -2.034502 -2.485411 ESP Fit Center 4639 is at 0.035897 -1.627216 -2.485411 ESP Fit Center 4640 is at -0.171260 -1.253991 -2.485411 ESP Fit Center 4641 is at -3.503512 -3.833347 -2.485411 ESP Fit Center 4642 is at -3.194126 -4.127440 -2.485411 ESP Fit Center 4643 is at -2.831873 -4.353235 -2.485411 ESP Fit Center 4644 is at -2.431583 -4.501486 -2.485411 ESP Fit Center 4645 is at -2.009644 -4.566125 -2.485411 ESP Fit Center 4646 is at -1.583330 -4.544504 -2.485411 ESP Fit Center 4647 is at -1.170095 -4.437511 -2.485411 ESP Fit Center 4648 is at -0.786857 -4.249523 -2.485411 ESP Fit Center 4649 is at -0.449305 -3.988239 -2.485411 ESP Fit Center 4650 is at -0.171260 -3.664354 -2.485411 ESP Fit Center 4651 is at 0.035897 -3.291129 -2.485411 ESP Fit Center 4652 is at 0.163684 -2.883844 -2.485411 ESP Fit Center 4653 is at -0.048767 -2.459173 -2.813851 ESP Fit Center 4654 is at -0.098742 -2.031605 -2.813851 ESP Fit Center 4655 is at -0.245974 -1.627088 -2.813851 ESP Fit Center 4656 is at -0.482526 -1.267429 -2.813851 ESP Fit Center 4657 is at -0.795645 -0.972017 -2.813851 ESP Fit Center 4658 is at -3.451806 -3.477976 -2.813851 ESP Fit Center 4659 is at -3.175100 -3.807741 -2.813851 ESP Fit Center 4660 is at -2.829803 -4.064805 -2.813851 ESP Fit Center 4661 is at -2.434531 -4.235309 -2.813851 ESP Fit Center 4662 is at -2.010593 -4.310060 -2.813851 ESP Fit Center 4663 is at -1.580843 -4.285030 -2.813851 ESP Fit Center 4664 is at -1.168450 -4.161568 -2.813851 ESP Fit Center 4665 is at -0.795645 -3.946329 -2.813851 ESP Fit Center 4666 is at -0.482526 -3.650917 -2.813851 ESP Fit Center 4667 is at -0.245974 -3.291257 -2.813851 ESP Fit Center 4668 is at -0.098742 -2.886740 -2.813851 ESP Fit Center 4669 is at -0.354975 -2.459173 -3.095735 ESP Fit Center 4670 is at -0.412372 -2.041577 -3.095735 ESP Fit Center 4671 is at -0.580307 -1.654953 -3.095735 ESP Fit Center 4672 is at -0.846324 -1.327973 -3.095735 ESP Fit Center 4673 is at -1.190695 -1.084890 -3.095735 ESP Fit Center 4674 is at -3.322465 -3.075824 -3.095735 ESP Fit Center 4675 is at -3.103449 -3.435981 -3.095735 ESP Fit Center 4676 is at -2.795386 -3.723692 -3.095735 ESP Fit Center 4677 is at -2.421123 -3.917619 -3.095735 ESP Fit Center 4678 is at -2.008418 -4.003381 -3.095735 ESP Fit Center 4679 is at -1.587879 -3.974615 -3.095735 ESP Fit Center 4680 is at -1.190695 -3.833456 -3.095735 ESP Fit Center 4681 is at -0.846324 -3.590373 -3.095735 ESP Fit Center 4682 is at -0.580307 -3.263393 -3.095735 ESP Fit Center 4683 is at -0.412372 -2.876769 -3.095735 ESP Fit Center 4684 is at -0.703404 -2.459173 -3.323375 ESP Fit Center 4685 is at -0.775736 -2.048958 -3.323375 ESP Fit Center 4686 is at -0.984007 -1.688222 -3.323375 ESP Fit Center 4687 is at -1.303097 -1.420473 -3.323375 ESP Fit Center 4688 is at -1.694520 -1.278007 -3.323375 ESP Fit Center 4689 is at -3.029847 -2.869388 -3.323375 ESP Fit Center 4690 is at -2.821575 -3.230124 -3.323375 ESP Fit Center 4691 is at -2.502485 -3.497873 -3.323375 ESP Fit Center 4692 is at -2.111062 -3.640339 -3.323375 ESP Fit Center 4693 is at -1.694520 -3.640339 -3.323375 ESP Fit Center 4694 is at -1.303097 -3.497873 -3.323375 ESP Fit Center 4695 is at -0.984007 -3.230124 -3.323375 ESP Fit Center 4696 is at -0.775736 -2.869388 -3.323375 ESP Fit Center 4697 is at -1.084548 -2.459173 -3.490561 ESP Fit Center 4698 is at -1.194172 -2.050052 -3.490561 ESP Fit Center 4699 is at -1.493670 -1.750554 -3.490561 ESP Fit Center 4700 is at -1.902791 -1.640930 -3.490561 ESP Fit Center 4701 is at -2.311912 -1.750554 -3.490561 ESP Fit Center 4702 is at -2.611410 -2.050052 -3.490561 ESP Fit Center 4703 is at -2.721034 -2.459173 -3.490561 ESP Fit Center 4704 is at -2.611410 -2.868294 -3.490561 ESP Fit Center 4705 is at -2.311912 -3.167792 -3.490561 ESP Fit Center 4706 is at -1.902791 -3.277416 -3.490561 ESP Fit Center 4707 is at -1.493670 -3.167792 -3.490561 ESP Fit Center 4708 is at -1.194172 -2.868294 -3.490561 ESP Fit Center 4709 is at -1.488013 -2.459173 -3.592732 ESP Fit Center 4710 is at -1.695402 -2.099964 -3.592732 ESP Fit Center 4711 is at -2.110180 -2.099964 -3.592732 ESP Fit Center 4712 is at -2.317569 -2.459173 -3.592732 ESP Fit Center 4713 is at -2.110180 -2.818381 -3.592732 ESP Fit Center 4714 is at -1.695402 -2.818381 -3.592732 ESP Fit Center 4715 is at -1.902791 -2.459173 -3.627101 ESP Fit Center 4716 is at 3.349345 0.639021 2.748648 ESP Fit Center 4717 is at 3.771719 0.639021 2.715407 ESP Fit Center 4718 is at 3.560532 1.004807 2.715407 ESP Fit Center 4719 is at 3.138159 1.004807 2.715407 ESP Fit Center 4720 is at 2.926972 0.639021 2.715407 ESP Fit Center 4721 is at 3.138159 0.273236 2.715407 ESP Fit Center 4722 is at 3.560532 0.273236 2.715407 ESP Fit Center 4723 is at 4.183691 0.639021 2.616501 ESP Fit Center 4724 is at 4.071910 1.056194 2.616501 ESP Fit Center 4725 is at 3.766518 1.361586 2.616501 ESP Fit Center 4726 is at 3.349345 1.473367 2.616501 ESP Fit Center 4727 is at 2.932173 1.361586 2.616501 ESP Fit Center 4728 is at 2.626781 0.221848 2.616501 ESP Fit Center 4729 is at 2.932173 -0.083543 2.616501 ESP Fit Center 4730 is at 3.349345 -0.195325 2.616501 ESP Fit Center 4731 is at 3.766518 -0.083543 2.616501 ESP Fit Center 4732 is at 4.071910 0.221848 2.616501 ESP Fit Center 4733 is at 4.575120 0.639021 2.454366 ESP Fit Center 4734 is at 4.501197 1.058261 2.454366 ESP Fit Center 4735 is at 4.288343 1.426934 2.454366 ESP Fit Center 4736 is at 3.962233 1.700573 2.454366 ESP Fit Center 4737 is at 3.562199 1.846173 2.454366 ESP Fit Center 4738 is at 3.136492 1.846173 2.454366 ESP Fit Center 4739 is at 2.736458 -0.422530 2.454366 ESP Fit Center 4740 is at 4.501197 0.219782 2.454366 ESP Fit Center 4741 is at 4.723745 1.432531 2.232994 ESP Fit Center 4742 is at 4.471538 1.761214 2.232994 ESP Fit Center 4743 is at 4.142856 2.013421 2.232994 ESP Fit Center 4744 is at 3.760097 2.171965 2.232994 ESP Fit Center 4745 is at 3.349345 2.226042 2.232994 ESP Fit Center 4746 is at 4.539705 2.131685 1.957837 ESP Fit Center 4747 is at 4.177711 2.359141 1.957837 ESP Fit Center 4748 is at 3.774180 2.500342 1.957837 ESP Fit Center 4749 is at 4.616390 2.418337 1.635669 ESP Fit Center 4750 is at 4.256756 2.625972 1.635669 ESP Fit Center 4751 is at 3.864325 2.761794 1.635669 ESP Fit Center 4752 is at 4.552204 2.722434 1.274423 ESP Fit Center 4753 is at 4.172149 2.899656 1.274423 ESP Fit Center 4754 is at 4.380840 2.990592 0.882994 ESP Fit Center 4755 is at 4.560028 3.015121 0.471022 ESP Fit Center 4756 is at 4.639189 3.011004 0.048648 ESP Fit Center 4757 is at 4.560028 3.015121 -0.373725 ESP Fit Center 4758 is at 4.753828 2.788741 -0.785697 ESP Fit Center 4759 is at 4.895711 2.481908 -1.177126 ESP Fit Center 4760 is at 4.552204 2.722434 -1.177126 ESP Fit Center 4761 is at 4.930231 2.146393 -1.538372 ESP Fit Center 4762 is at 4.616390 2.418337 -1.538372 ESP Fit Center 4763 is at 4.256756 2.625972 -1.538372 ESP Fit Center 4764 is at 4.842009 1.829381 -1.860540 ESP Fit Center 4765 is at 4.539705 2.131685 -1.860540 ESP Fit Center 4766 is at 4.177711 2.359141 -1.860540 ESP Fit Center 4767 is at 3.774180 2.500342 -1.860540 ESP Fit Center 4768 is at 4.882289 1.049772 -2.135697 ESP Fit Center 4769 is at 4.723745 1.432531 -2.135697 ESP Fit Center 4770 is at 4.471538 1.761214 -2.135697 ESP Fit Center 4771 is at 4.142856 2.013421 -2.135697 ESP Fit Center 4772 is at 3.760097 2.171965 -2.135697 ESP Fit Center 4773 is at 3.349345 2.226042 -2.135697 ESP Fit Center 4774 is at 4.575120 0.639021 -2.357069 ESP Fit Center 4775 is at 4.501197 1.058261 -2.357069 ESP Fit Center 4776 is at 4.288343 1.426934 -2.357069 ESP Fit Center 4777 is at 3.962233 1.700573 -2.357069 ESP Fit Center 4778 is at 3.562199 1.846173 -2.357069 ESP Fit Center 4779 is at 3.136492 1.846173 -2.357069 ESP Fit Center 4780 is at 4.183691 0.639021 -2.519204 ESP Fit Center 4781 is at 4.071910 1.056194 -2.519204 ESP Fit Center 4782 is at 3.766518 1.361586 -2.519204 ESP Fit Center 4783 is at 3.349345 1.473367 -2.519204 ESP Fit Center 4784 is at 2.932173 1.361586 -2.519204 ESP Fit Center 4785 is at 2.626781 0.221848 -2.519204 ESP Fit Center 4786 is at 3.771719 0.639021 -2.618110 ESP Fit Center 4787 is at 3.560532 1.004807 -2.618110 ESP Fit Center 4788 is at 3.138159 1.004807 -2.618110 ESP Fit Center 4789 is at 2.926972 0.639021 -2.618110 ESP Fit Center 4790 is at 3.138159 0.273236 -2.618110 ESP Fit Center 4791 is at 3.349345 0.639021 -2.651352 ESP Fit Center 4792 is at 0.189800 3.864325 2.537100 ESP Fit Center 4793 is at 0.604579 3.864325 2.502730 ESP Fit Center 4794 is at 0.397190 4.223533 2.502730 ESP Fit Center 4795 is at -0.017589 4.223533 2.502730 ESP Fit Center 4796 is at -0.224978 3.864325 2.502730 ESP Fit Center 4797 is at 1.008043 3.864325 2.400559 ESP Fit Center 4798 is at 0.898419 4.273446 2.400559 ESP Fit Center 4799 is at 0.598922 4.572944 2.400559 ESP Fit Center 4800 is at 0.189800 4.682568 2.400559 ESP Fit Center 4801 is at -0.219321 4.572944 2.400559 ESP Fit Center 4802 is at -0.518818 4.273446 2.400559 ESP Fit Center 4803 is at -0.628442 3.864325 2.400559 ESP Fit Center 4804 is at 1.389188 3.864325 2.233374 ESP Fit Center 4805 is at 1.316856 4.274540 2.233374 ESP Fit Center 4806 is at 1.108585 4.635276 2.233374 ESP Fit Center 4807 is at 0.789494 4.903025 2.233374 ESP Fit Center 4808 is at 0.398072 5.045491 2.233374 ESP Fit Center 4809 is at -0.018471 5.045491 2.233374 ESP Fit Center 4810 is at -0.409893 4.903025 2.233374 ESP Fit Center 4811 is at -0.728984 4.635276 2.233374 ESP Fit Center 4812 is at -0.937255 4.274540 2.233374 ESP Fit Center 4813 is at -1.009587 3.864325 2.233374 ESP Fit Center 4814 is at 1.680219 4.281921 2.005734 ESP Fit Center 4815 is at 1.512284 4.668545 2.005734 ESP Fit Center 4816 is at 1.246267 4.995524 2.005734 ESP Fit Center 4817 is at 0.901896 5.238608 2.005734 ESP Fit Center 4818 is at 0.504713 5.379767 2.005734 ESP Fit Center 4819 is at 0.084174 5.408533 2.005734 ESP Fit Center 4820 is at -0.328532 5.322771 2.005734 ESP Fit Center 4821 is at -0.702795 5.128844 2.005734 ESP Fit Center 4822 is at -1.010858 4.841133 2.005734 ESP Fit Center 4823 is at -1.229874 4.480976 2.005734 ESP Fit Center 4824 is at -1.343599 4.075086 2.005734 ESP Fit Center 4825 is at -1.343599 3.653564 2.005734 ESP Fit Center 4826 is at 1.993849 4.291892 1.723850 ESP Fit Center 4827 is at 1.846617 4.696409 1.723850 ESP Fit Center 4828 is at 1.610065 5.056069 1.723850 ESP Fit Center 4829 is at 1.296947 5.351481 1.723850 ESP Fit Center 4830 is at 0.924142 5.566720 1.723850 ESP Fit Center 4831 is at 0.511748 5.690182 1.723850 ESP Fit Center 4832 is at 0.081999 5.715212 1.723850 ESP Fit Center 4833 is at -0.341940 5.640461 1.723850 ESP Fit Center 4834 is at -0.737212 5.469957 1.723850 ESP Fit Center 4835 is at -1.082508 5.212893 1.723850 ESP Fit Center 4836 is at -1.359214 4.883128 1.723850 ESP Fit Center 4837 is at -1.552412 4.498439 1.723850 ESP Fit Center 4838 is at -1.651688 4.079564 1.723850 ESP Fit Center 4839 is at 2.128489 4.696281 1.395409 ESP Fit Center 4840 is at 1.921332 5.069506 1.395409 ESP Fit Center 4841 is at 1.643286 5.393391 1.395409 ESP Fit Center 4842 is at 1.305734 5.654675 1.395409 ESP Fit Center 4843 is at 0.922496 5.842663 1.395409 ESP Fit Center 4844 is at 0.509261 5.949656 1.395409 ESP Fit Center 4845 is at 0.082948 5.971277 1.395409 ESP Fit Center 4846 is at -0.338991 5.906638 1.395409 ESP Fit Center 4847 is at -0.739281 5.758387 1.395409 ESP Fit Center 4848 is at -1.101535 5.532592 1.395409 ESP Fit Center 4849 is at -1.410921 5.238499 1.395409 ESP Fit Center 4850 is at -1.654773 4.888147 1.395409 ESP Fit Center 4851 is at -1.823109 4.495879 1.395409 ESP Fit Center 4852 is at -1.909035 4.077756 1.395409 ESP Fit Center 4853 is at 2.151888 5.079198 1.029372 ESP Fit Center 4854 is at 1.895247 5.419045 1.029372 ESP Fit Center 4855 is at 1.580530 5.705948 1.029372 ESP Fit Center 4856 is at 1.218453 5.930137 1.029372 ESP Fit Center 4857 is at 0.821346 6.083977 1.029372 ESP Fit Center 4858 is at 0.402733 6.162229 1.029372 ESP Fit Center 4859 is at -0.023132 6.162229 1.029372 ESP Fit Center 4860 is at -0.441745 6.083977 1.029372 ESP Fit Center 4861 is at -0.838852 5.930137 1.029372 ESP Fit Center 4862 is at -1.200929 5.705948 1.029372 ESP Fit Center 4863 is at -1.515646 5.419045 1.029372 ESP Fit Center 4864 is at -1.772287 5.079198 1.029372 ESP Fit Center 4865 is at -1.962111 4.697980 1.029372 ESP Fit Center 4866 is at -2.078655 4.288373 1.029372 ESP Fit Center 4867 is at 2.305404 5.085769 0.635723 ESP Fit Center 4868 is at 2.061162 5.434583 0.635723 ESP Fit Center 4869 is at 1.760059 5.735686 0.635723 ESP Fit Center 4870 is at 1.411245 5.979929 0.635723 ESP Fit Center 4871 is at 1.025318 6.159889 0.635723 ESP Fit Center 4872 is at 0.614004 6.270101 0.635723 ESP Fit Center 4873 is at 0.189800 6.307214 0.635723 ESP Fit Center 4874 is at -0.234403 6.270101 0.635723 ESP Fit Center 4875 is at -0.645717 6.159889 0.635723 ESP Fit Center 4876 is at -1.031644 5.979929 0.635723 ESP Fit Center 4877 is at -1.380458 5.735686 0.635723 ESP Fit Center 4878 is at -1.681561 5.434583 0.635723 ESP Fit Center 4879 is at -1.925803 5.085769 0.635723 ESP Fit Center 4880 is at -2.105764 4.699842 0.635723 ESP Fit Center 4881 is at -2.215975 4.288528 0.635723 ESP Fit Center 4882 is at 2.382282 5.089118 0.225200 ESP Fit Center 4883 is at 2.143754 5.442032 0.225200 ESP Fit Center 4884 is at 1.849014 5.749558 0.225200 ESP Fit Center 4885 is at 1.506542 6.002849 0.225200 ESP Fit Center 4886 is at 1.126190 6.194619 0.225200 ESP Fit Center 4887 is at 0.718899 6.319350 0.225200 ESP Fit Center 4888 is at 0.296387 6.373455 0.225200 ESP Fit Center 4889 is at -0.129191 6.355377 0.225200 ESP Fit Center 4890 is at -0.545593 6.265635 0.225200 ESP Fit Center 4891 is at -0.940838 6.106813 0.225200 ESP Fit Center 4892 is at -1.303557 5.883478 0.225200 ESP Fit Center 4893 is at -1.623315 5.602055 0.225200 ESP Fit Center 4894 is at -1.890913 5.270642 0.225200 ESP Fit Center 4895 is at -2.098652 4.898771 0.225200 ESP Fit Center 4896 is at -2.240557 4.497141 0.225200 ESP Fit Center 4897 is at 2.382282 5.089118 -0.191000 ESP Fit Center 4898 is at 2.143754 5.442032 -0.191000 ESP Fit Center 4899 is at 1.849014 5.749558 -0.191000 ESP Fit Center 4900 is at 1.506542 6.002849 -0.191000 ESP Fit Center 4901 is at 1.126190 6.194619 -0.191000 ESP Fit Center 4902 is at 0.718899 6.319350 -0.191000 ESP Fit Center 4903 is at 0.296387 6.373455 -0.191000 ESP Fit Center 4904 is at -0.129191 6.355377 -0.191000 ESP Fit Center 4905 is at -0.545593 6.265635 -0.191000 ESP Fit Center 4906 is at -0.940838 6.106813 -0.191000 ESP Fit Center 4907 is at -1.303557 5.883478 -0.191000 ESP Fit Center 4908 is at -1.623315 5.602055 -0.191000 ESP Fit Center 4909 is at -1.890913 5.270642 -0.191000 ESP Fit Center 4910 is at -2.098652 4.898771 -0.191000 ESP Fit Center 4911 is at -2.240557 4.497141 -0.191000 ESP Fit Center 4912 is at 2.305404 5.085769 -0.601523 ESP Fit Center 4913 is at 2.061162 5.434583 -0.601523 ESP Fit Center 4914 is at 1.760059 5.735686 -0.601523 ESP Fit Center 4915 is at 1.411245 5.979929 -0.601523 ESP Fit Center 4916 is at 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-0.995173 ESP Fit Center 4935 is at -0.838852 5.930137 -0.995173 ESP Fit Center 4936 is at -1.200929 5.705948 -0.995173 ESP Fit Center 4937 is at -1.515646 5.419045 -0.995173 ESP Fit Center 4938 is at -1.772287 5.079198 -0.995173 ESP Fit Center 4939 is at -1.962111 4.697980 -0.995173 ESP Fit Center 4940 is at -2.078655 4.288373 -0.995173 ESP Fit Center 4941 is at 2.128489 4.696281 -1.361209 ESP Fit Center 4942 is at 1.921332 5.069506 -1.361209 ESP Fit Center 4943 is at 1.643286 5.393391 -1.361209 ESP Fit Center 4944 is at 1.305734 5.654675 -1.361209 ESP Fit Center 4945 is at 0.922496 5.842663 -1.361209 ESP Fit Center 4946 is at 0.509261 5.949656 -1.361209 ESP Fit Center 4947 is at 0.082948 5.971277 -1.361209 ESP Fit Center 4948 is at -0.338991 5.906638 -1.361209 ESP Fit Center 4949 is at -0.739281 5.758387 -1.361209 ESP Fit Center 4950 is at -1.101535 5.532592 -1.361209 ESP Fit Center 4951 is at -1.410921 5.238499 -1.361209 ESP Fit Center 4952 is at -1.654773 4.888147 -1.361209 ESP Fit Center 4953 is at -1.823109 4.495879 -1.361209 ESP Fit Center 4954 is at -1.909035 4.077756 -1.361209 ESP Fit Center 4955 is at 1.993849 4.291892 -1.689650 ESP Fit Center 4956 is at 1.846617 4.696409 -1.689650 ESP Fit Center 4957 is at 1.610065 5.056069 -1.689650 ESP Fit Center 4958 is at 1.296947 5.351481 -1.689650 ESP Fit Center 4959 is at 0.924142 5.566720 -1.689650 ESP Fit Center 4960 is at 0.511748 5.690182 -1.689650 ESP Fit Center 4961 is at 0.081999 5.715212 -1.689650 ESP Fit Center 4962 is at -0.341940 5.640461 -1.689650 ESP Fit Center 4963 is at -0.737212 5.469957 -1.689650 ESP Fit Center 4964 is at -1.082508 5.212893 -1.689650 ESP Fit Center 4965 is at -1.359214 4.883128 -1.689650 ESP Fit Center 4966 is at -1.552412 4.498439 -1.689650 ESP Fit Center 4967 is at -1.651688 4.079564 -1.689650 ESP Fit Center 4968 is at 1.680219 4.281921 -1.971534 ESP Fit Center 4969 is at 1.512284 4.668545 -1.971534 ESP Fit Center 4970 is at 1.246267 4.995524 -1.971534 ESP Fit Center 4971 is at 0.901896 5.238608 -1.971534 ESP Fit Center 4972 is at 0.504713 5.379767 -1.971534 ESP Fit Center 4973 is at 0.084174 5.408533 -1.971534 ESP Fit Center 4974 is at -0.328532 5.322771 -1.971534 ESP Fit Center 4975 is at -0.702795 5.128844 -1.971534 ESP Fit Center 4976 is at -1.010858 4.841133 -1.971534 ESP Fit Center 4977 is at -1.229874 4.480976 -1.971534 ESP Fit Center 4978 is at -1.343599 4.075086 -1.971534 ESP Fit Center 4979 is at -1.343599 3.653564 -1.971534 ESP Fit Center 4980 is at 1.389188 3.864325 -2.199174 ESP Fit Center 4981 is at 1.316856 4.274540 -2.199174 ESP Fit Center 4982 is at 1.108585 4.635276 -2.199174 ESP Fit Center 4983 is at 0.789494 4.903025 -2.199174 ESP Fit Center 4984 is at 0.398072 5.045491 -2.199174 ESP Fit Center 4985 is at -0.018471 5.045491 -2.199174 ESP Fit Center 4986 is at -0.409893 4.903025 -2.199174 ESP Fit Center 4987 is at -0.728984 4.635276 -2.199174 ESP Fit Center 4988 is at -0.937255 4.274540 -2.199174 ESP Fit Center 4989 is at -1.009587 3.864325 -2.199174 ESP Fit Center 4990 is at 1.008043 3.864325 -2.366360 ESP Fit Center 4991 is at 0.898419 4.273446 -2.366360 ESP Fit Center 4992 is at 0.598922 4.572944 -2.366360 ESP Fit Center 4993 is at 0.189800 4.682568 -2.366360 ESP Fit Center 4994 is at -0.219321 4.572944 -2.366360 ESP Fit Center 4995 is at -0.518818 4.273446 -2.366360 ESP Fit Center 4996 is at -0.628442 3.864325 -2.366360 ESP Fit Center 4997 is at 0.604579 3.864325 -2.468531 ESP Fit Center 4998 is at 0.397190 4.223533 -2.468531 ESP Fit Center 4999 is at -0.017589 4.223533 -2.468531 ESP Fit Center 5000 is at -0.224978 3.864325 -2.468531 ESP Fit Center 5001 is at 0.189800 3.864325 -2.502900 ESP Fit Center 5002 is at 0.350646 2.680789 2.717772 ESP Fit Center 5003 is at 0.773019 2.680789 2.684531 ESP Fit Center 5004 is at 0.561833 3.046575 2.684531 ESP Fit Center 5005 is at 0.139460 3.046575 2.684531 ESP Fit Center 5006 is at -0.071727 2.680789 2.684531 ESP Fit Center 5007 is at 0.139460 2.315003 2.684531 ESP Fit Center 5008 is at 0.561833 2.315003 2.684531 ESP Fit Center 5009 is at 1.073211 3.097962 2.585625 ESP Fit Center 5010 is at 0.767819 3.403353 2.585625 ESP Fit Center 5011 is at 0.350646 3.515135 2.585625 ESP Fit Center 5012 is at -0.066527 3.403353 2.585625 ESP Fit Center 5013 is at -0.371919 3.097962 2.585625 ESP Fit Center 5014 is at -0.483700 2.680789 2.585625 ESP Fit Center 5015 is at 0.350646 1.846443 2.585625 ESP Fit Center 5016 is at 0.767819 1.958224 2.585625 ESP Fit Center 5017 is at 1.289644 3.468701 2.423490 ESP Fit Center 5018 is at 0.963533 3.742340 2.423490 ESP Fit Center 5019 is at -0.588352 3.468701 2.423490 ESP Fit Center 5020 is at -0.801205 3.100028 2.423490 ESP Fit Center 5021 is at 1.472839 3.802981 2.202118 ESP Fit Center 5022 is at -1.023754 3.474299 2.202118 ESP Fit Center 5023 is at -1.182298 3.091540 2.202118 ESP Fit Center 5024 is at 1.472839 3.802981 -2.166574 ESP Fit Center 5025 is at -1.023754 3.474299 -2.166574 ESP Fit Center 5026 is at 1.289644 3.468701 -2.387945 ESP Fit Center 5027 is at 0.963533 3.742340 -2.387945 ESP Fit Center 5028 is at -0.588352 3.468701 -2.387945 ESP Fit Center 5029 is at -0.801205 3.100028 -2.387945 ESP Fit Center 5030 is at 1.073211 3.097962 -2.550080 ESP Fit Center 5031 is at 0.767819 3.403353 -2.550080 ESP Fit Center 5032 is at 0.350646 3.515135 -2.550080 ESP Fit Center 5033 is at -0.066527 3.403353 -2.550080 ESP Fit Center 5034 is at -0.371919 3.097962 -2.550080 ESP Fit Center 5035 is at -0.483700 2.680789 -2.550080 ESP Fit Center 5036 is at 0.350646 1.846443 -2.550080 ESP Fit Center 5037 is at 0.767819 1.958224 -2.550080 ESP Fit Center 5038 is at 0.773019 2.680789 -2.648986 ESP Fit Center 5039 is at 0.561833 3.046575 -2.648986 ESP Fit Center 5040 is at 0.139460 3.046575 -2.648986 ESP Fit Center 5041 is at -0.071727 2.680789 -2.648986 ESP Fit Center 5042 is at 0.139460 2.315003 -2.648986 ESP Fit Center 5043 is at 0.561833 2.315003 -2.648986 ESP Fit Center 5044 is at 0.350646 2.680789 -2.682228 ESP Fit Center 5045 is at -0.608505 1.608443 2.705820 ESP Fit Center 5046 is at -0.186132 1.608443 2.672579 ESP Fit Center 5047 is at -0.397319 1.974229 2.672579 ESP Fit Center 5048 is at -0.819692 1.974229 2.672579 ESP Fit Center 5049 is at -1.030878 1.608443 2.672579 ESP Fit Center 5050 is at -0.819692 1.242657 2.672579 ESP Fit Center 5051 is at -0.397319 1.242657 2.672579 ESP Fit Center 5052 is at 0.225841 1.608443 2.573673 ESP Fit Center 5053 is at -0.608505 2.442789 2.573673 ESP Fit Center 5054 is at -1.025678 2.331008 2.573673 ESP Fit Center 5055 is at -1.025678 0.885878 2.573673 ESP Fit Center 5056 is at 0.114059 1.191270 2.573673 ESP Fit Center 5057 is at -1.221392 2.669995 2.411538 ESP Fit Center 5058 is at -1.221392 2.669995 -2.399897 ESP Fit Center 5059 is at 0.225841 1.608443 -2.562032 ESP Fit Center 5060 is at -0.608505 2.442789 -2.562032 ESP Fit Center 5061 is at -1.025678 2.331008 -2.562032 ESP Fit Center 5062 is at 0.114059 1.191270 -2.562032 ESP Fit Center 5063 is at -0.186132 1.608443 -2.660938 ESP Fit Center 5064 is at -0.397319 1.974229 -2.660938 ESP Fit Center 5065 is at -0.819692 1.974229 -2.660938 ESP Fit Center 5066 is at -1.030878 1.608443 -2.660938 ESP Fit Center 5067 is at -0.819692 1.242657 -2.660938 ESP Fit Center 5068 is at -0.397319 1.242657 -2.660938 ESP Fit Center 5069 is at -0.608505 1.608443 -2.694180 ESP Fit Center 5070 is at -1.773174 2.003553 2.652225 ESP Fit Center 5071 is at -1.567188 2.360332 2.553319 ESP Fit Center 5072 is at -1.984361 2.472114 2.553319 ESP Fit Center 5073 is at -1.371474 2.699319 2.391184 ESP Fit Center 5074 is at -1.771507 2.844920 2.391184 ESP Fit Center 5075 is at -2.197214 2.844920 2.391184 ESP Fit Center 5076 is at -1.573610 3.170711 2.169813 ESP Fit Center 5077 is at -1.984361 3.224788 2.169813 ESP Fit Center 5078 is at -2.395112 3.170711 2.169813 ESP Fit Center 5079 is at -1.559527 3.499089 1.894655 ESP Fit Center 5080 is at -1.984361 3.546956 1.894655 ESP Fit Center 5081 is at -2.409195 3.499089 1.894655 ESP Fit Center 5082 is at -2.812727 3.357887 1.894655 ESP Fit Center 5083 is at -1.880426 3.819639 1.572487 ESP Fit Center 5084 is at -2.295226 3.799880 1.572487 ESP Fit Center 5085 is at -2.698791 3.701976 1.572487 ESP Fit Center 5086 is at -3.076534 3.529467 1.572487 ESP Fit Center 5087 is at -2.402109 4.006937 1.211241 ESP Fit Center 5088 is at -2.807165 3.898403 1.211241 ESP Fit Center 5089 is at -3.187220 3.721180 1.211241 ESP Fit Center 5090 is at -2.196413 4.196850 0.819813 ESP Fit Center 5091 is at -2.614732 4.127045 0.819813 ESP Fit Center 5092 is at -3.015856 3.989339 0.819813 ESP Fit Center 5093 is at -2.401534 4.271694 0.407840 ESP Fit Center 5094 is at -2.808435 4.174006 0.407840 ESP Fit Center 5095 is at -3.195044 4.013867 0.407840 ESP Fit Center 5096 is at -2.294006 4.319953 -0.014533 ESP Fit Center 5097 is at -2.699811 4.241252 -0.014533 ESP Fit Center 5098 is at -3.088846 4.101527 -0.014533 ESP Fit Center 5099 is at -2.401534 4.271694 -0.436906 ESP Fit Center 5100 is at -2.808435 4.174006 -0.436906 ESP Fit Center 5101 is at -3.195044 4.013867 -0.436906 ESP Fit Center 5102 is at -2.196413 4.196850 -0.848879 ESP Fit Center 5103 is at -2.614732 4.127045 -0.848879 ESP Fit Center 5104 is at -3.015856 3.989339 -0.848879 ESP Fit Center 5105 is at -2.402109 4.006937 -1.240308 ESP Fit Center 5106 is at -2.807165 3.898403 -1.240308 ESP Fit Center 5107 is at -3.187220 3.721180 -1.240308 ESP Fit Center 5108 is at -1.880426 3.819639 -1.601553 ESP Fit Center 5109 is at -2.295226 3.799880 -1.601553 ESP Fit Center 5110 is at -2.698791 3.701976 -1.601553 ESP Fit Center 5111 is at -1.559527 3.499089 -1.923721 ESP Fit Center 5112 is at -1.984361 3.546956 -1.923721 ESP Fit Center 5113 is at -2.409195 3.499089 -1.923721 ESP Fit Center 5114 is at -2.812727 3.357887 -1.923721 ESP Fit Center 5115 is at -1.573610 3.170711 -2.198879 ESP Fit Center 5116 is at -1.984361 3.224788 -2.198879 ESP Fit Center 5117 is at -2.395112 3.170711 -2.198879 ESP Fit Center 5118 is at -1.371474 2.699319 -2.420251 ESP Fit Center 5119 is at -1.771507 2.844920 -2.420251 ESP Fit Center 5120 is at -2.197214 2.844920 -2.420251 ESP Fit Center 5121 is at -1.261796 2.054941 -2.582386 ESP Fit Center 5122 is at -1.567188 2.360332 -2.582386 ESP Fit Center 5123 is at -1.984361 2.472114 -2.582386 ESP Fit Center 5124 is at -0.436099 -0.473308 -2.561062 ESP Fit Center 5125 is at -0.547880 -0.890481 -2.561062 ESP Fit Center 5126 is at -0.848072 -0.473308 -2.659968 ESP Fit Center 5127 is at -0.159659 0.318728 2.712536 ESP Fit Center 5128 is at 0.262714 0.318728 2.679295 ESP Fit Center 5129 is at 0.051528 0.684514 2.679295 ESP Fit Center 5130 is at -0.370846 0.684514 2.679295 ESP Fit Center 5131 is at -0.582032 0.318728 2.679295 ESP Fit Center 5132 is at -0.370846 -0.047057 2.679295 ESP Fit Center 5133 is at 0.051528 -0.047057 2.679295 ESP Fit Center 5134 is at 0.562906 0.735901 2.580389 ESP Fit Center 5135 is at 0.257514 1.041293 2.580389 ESP Fit Center 5136 is at -0.882224 0.735901 2.580389 ESP Fit Center 5137 is at 0.257514 -0.403836 2.580389 ESP Fit Center 5138 is at 0.779339 1.106641 -2.393181 ESP Fit Center 5139 is at 0.053194 -0.888424 -2.393181 ESP Fit Center 5140 is at 0.562906 0.735901 -2.555316 ESP Fit Center 5141 is at 0.257514 1.041293 -2.555316 ESP Fit Center 5142 is at -0.882224 0.735901 -2.555316 ESP Fit Center 5143 is at -0.159659 -0.515618 -2.555316 ESP Fit Center 5144 is at 0.257514 -0.403836 -2.555316 ESP Fit Center 5145 is at 0.262714 0.318728 -2.654222 ESP Fit Center 5146 is at 0.051528 0.684514 -2.654222 ESP Fit Center 5147 is at -0.370846 0.684514 -2.654222 ESP Fit Center 5148 is at -0.582032 0.318728 -2.654222 ESP Fit Center 5149 is at -0.370846 -0.047057 -2.654222 ESP Fit Center 5150 is at 0.051528 -0.047057 -2.654222 ESP Fit Center 5151 is at -0.159659 0.318728 -2.687464 ESP Fit Center 5152 is at 1.117213 -0.125537 2.734832 ESP Fit Center 5153 is at 1.539586 -0.125537 2.701590 ESP Fit Center 5154 is at 1.328399 0.240249 2.701590 ESP Fit Center 5155 is at 0.906026 0.240249 2.701590 ESP Fit Center 5156 is at 0.694840 -0.125537 2.701590 ESP Fit Center 5157 is at 0.906026 -0.491323 2.701590 ESP Fit Center 5158 is at 1.328399 -0.491323 2.701590 ESP Fit Center 5159 is at 1.951559 -0.125537 2.602685 ESP Fit Center 5160 is at 1.117213 0.708809 2.602685 ESP Fit Center 5161 is at 0.700040 0.597028 2.602685 ESP Fit Center 5162 is at 0.394648 -0.542710 2.602685 ESP Fit Center 5163 is at 0.700040 -0.848102 2.602685 ESP Fit Center 5164 is at 1.117213 -0.959883 2.602685 ESP Fit Center 5165 is at 1.534386 -0.848102 2.602685 ESP Fit Center 5166 is at 1.839777 -0.542710 2.602685 ESP Fit Center 5167 is at 0.904359 -1.332689 2.440550 ESP Fit Center 5168 is at 1.330066 -1.332689 2.440550 ESP Fit Center 5169 is at 1.730100 -1.187089 2.440550 ESP Fit Center 5170 is at 2.056210 -0.913450 2.440550 ESP Fit Center 5171 is at 2.269064 -0.544777 2.440550 ESP Fit Center 5172 is at 1.117213 -1.712557 2.219178 ESP Fit Center 5173 is at 1.527964 -1.658481 2.219178 ESP Fit Center 5174 is at 1.910723 -1.499937 2.219178 ESP Fit Center 5175 is at 2.239405 -1.247730 2.219178 ESP Fit Center 5176 is at 1.117213 -2.034725 1.944020 ESP Fit Center 5177 is at 1.542047 -1.986858 1.944020 ESP Fit Center 5178 is at 1.945578 -1.845656 1.944020 ESP Fit Center 5179 is at 1.221148 -2.307409 1.621852 ESP Fit Center 5180 is at 1.632192 -2.248310 1.621852 ESP Fit Center 5181 is at 2.024623 -2.112488 1.621852 ESP Fit Center 5182 is at 1.534961 -2.494706 1.260606 ESP Fit Center 5183 is at 1.632192 -2.248310 -1.552188 ESP Fit Center 5184 is at 1.117213 -2.034725 -1.874356 ESP Fit Center 5185 is at 1.542047 -1.986858 -1.874356 ESP Fit Center 5186 is at 0.323703 -1.499937 -2.149514 ESP Fit Center 5187 is at 0.706462 -1.658481 -2.149514 ESP Fit Center 5188 is at 1.117213 -1.712557 -2.149514 ESP Fit Center 5189 is at 1.527964 -1.658481 -2.149514 ESP Fit Center 5190 is at 1.910723 -1.499937 -2.149514 ESP Fit Center 5191 is at 0.178215 -0.913450 -2.370886 ESP Fit Center 5192 is at 0.504325 -1.187089 -2.370886 ESP Fit Center 5193 is at 0.904359 -1.332689 -2.370886 ESP Fit Center 5194 is at 1.330066 -1.332689 -2.370886 ESP Fit Center 5195 is at 1.730100 -1.187089 -2.370886 ESP Fit Center 5196 is at 2.056210 -0.913450 -2.370886 ESP Fit Center 5197 is at 2.269064 -0.544777 -2.370886 ESP Fit Center 5198 is at 1.951559 -0.125537 -2.533021 ESP Fit Center 5199 is at 1.117213 0.708809 -2.533021 ESP Fit Center 5200 is at 0.700040 0.597028 -2.533021 ESP Fit Center 5201 is at 0.394648 -0.542710 -2.533021 ESP Fit Center 5202 is at 0.700040 -0.848102 -2.533021 ESP Fit Center 5203 is at 1.117213 -0.959883 -2.533021 ESP Fit Center 5204 is at 1.534386 -0.848102 -2.533021 ESP Fit Center 5205 is at 1.839777 -0.542710 -2.533021 ESP Fit Center 5206 is at 1.539586 -0.125537 -2.631927 ESP Fit Center 5207 is at 1.328399 0.240249 -2.631927 ESP Fit Center 5208 is at 0.906026 0.240249 -2.631927 ESP Fit Center 5209 is at 0.694840 -0.125537 -2.631927 ESP Fit Center 5210 is 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Fit Center 5229 is at 1.158999 0.830211 -2.531924 ESP Fit Center 5230 is at 1.993345 -0.004135 -2.531924 ESP Fit Center 5231 is at 2.410518 0.107646 -2.531924 ESP Fit Center 5232 is at 2.415718 0.830211 -2.630830 ESP Fit Center 5233 is at 2.204531 1.195997 -2.630830 ESP Fit Center 5234 is at 1.782158 1.195997 -2.630830 ESP Fit Center 5235 is at 1.570972 0.830211 -2.630830 ESP Fit Center 5236 is at 1.782158 0.464425 -2.630830 ESP Fit Center 5237 is at 2.204531 0.464425 -2.630830 ESP Fit Center 5238 is at 1.993345 0.830211 -2.664071 ESP Fit Center 5239 is at 1.648816 2.142575 2.732047 ESP Fit Center 5240 is at 2.071189 2.142575 2.698805 ESP Fit Center 5241 is at 1.860002 2.508361 2.698805 ESP Fit Center 5242 is at 1.437629 2.508361 2.698805 ESP Fit Center 5243 is at 1.226443 2.142575 2.698805 ESP Fit Center 5244 is at 1.437629 1.776789 2.698805 ESP Fit Center 5245 is at 1.860002 1.776789 2.698805 ESP Fit Center 5246 is at 2.483162 2.142575 2.599899 ESP Fit Center 5247 is at 2.371381 2.559748 2.599899 ESP Fit Center 5248 is at 2.065989 2.865140 2.599899 ESP Fit Center 5249 is at 1.648816 2.976921 2.599899 ESP Fit Center 5250 is at 1.231643 2.865140 2.599899 ESP Fit Center 5251 is at 0.926251 1.725402 2.599899 ESP Fit Center 5252 is at 1.231643 1.420010 2.599899 ESP Fit Center 5253 is at 2.371381 1.725402 2.599899 ESP Fit Center 5254 is at 2.874590 2.142575 2.437764 ESP Fit Center 5255 is at 2.800667 2.561815 2.437764 ESP Fit Center 5256 is at 2.587814 2.930488 2.437764 ESP Fit Center 5257 is at 2.261703 3.204127 2.437764 ESP Fit Center 5258 is at 1.861669 3.349727 2.437764 ESP Fit Center 5259 is at 1.435962 3.349727 2.437764 ESP Fit Center 5260 is at 0.709818 1.354663 2.437764 ESP Fit Center 5261 is at 3.181760 2.553326 2.216393 ESP Fit Center 5262 is at 3.023216 2.936085 2.216393 ESP Fit Center 5263 is at 2.771009 3.264768 2.216393 ESP Fit Center 5264 is at 2.442326 3.516975 2.216393 ESP Fit Center 5265 is at 2.059567 3.675519 2.216393 ESP Fit Center 5266 is at 1.648816 3.729595 2.216393 ESP Fit Center 5267 is at 3.510137 2.567410 1.941235 ESP Fit Center 5268 is at 2.477182 3.862694 1.941235 ESP Fit Center 5269 is at 2.073650 4.003896 1.941235 ESP Fit Center 5270 is at 2.163795 4.265348 1.619067 ESP Fit Center 5271 is at 2.163795 4.265348 -1.554973 ESP Fit Center 5272 is at 3.510137 2.567410 -1.877142 ESP Fit Center 5273 is at 2.477182 3.862694 -1.877142 ESP Fit Center 5274 is at 2.073650 4.003896 -1.877142 ESP Fit Center 5275 is at 3.181760 2.553326 -2.152299 ESP Fit Center 5276 is at 3.023216 2.936085 -2.152299 ESP Fit Center 5277 is at 2.771009 3.264768 -2.152299 ESP Fit Center 5278 is at 2.442326 3.516975 -2.152299 ESP Fit Center 5279 is at 2.059567 3.675519 -2.152299 ESP Fit Center 5280 is at 1.648816 3.729595 -2.152299 ESP Fit Center 5281 is at 2.874590 2.142575 -2.373671 ESP Fit Center 5282 is at 2.800667 2.561815 -2.373671 ESP Fit Center 5283 is at 2.587814 2.930488 -2.373671 ESP Fit Center 5284 is at 2.261703 3.204127 -2.373671 ESP Fit Center 5285 is at 1.861669 3.349727 -2.373671 ESP Fit Center 5286 is at 1.435962 3.349727 -2.373671 ESP Fit Center 5287 is at 0.709818 1.354663 -2.373671 ESP Fit Center 5288 is at 2.483162 2.142575 -2.535806 ESP Fit Center 5289 is at 2.371381 2.559748 -2.535806 ESP Fit Center 5290 is at 2.065989 2.865140 -2.535806 ESP Fit Center 5291 is at 1.648816 2.976921 -2.535806 ESP Fit Center 5292 is at 1.231643 2.865140 -2.535806 ESP Fit Center 5293 is at 0.926251 1.725402 -2.535806 ESP Fit Center 5294 is at 1.231643 1.420010 -2.535806 ESP Fit Center 5295 is at 2.371381 1.725402 -2.535806 ESP Fit Center 5296 is at 2.071189 2.142575 -2.634712 ESP Fit Center 5297 is at 1.860002 2.508361 -2.634712 ESP Fit Center 5298 is at 1.437629 2.508361 -2.634712 ESP Fit Center 5299 is at 1.226443 2.142575 -2.634712 ESP Fit Center 5300 is at 1.437629 1.776789 -2.634712 ESP Fit Center 5301 is at 1.860002 1.776789 -2.634712 ESP Fit Center 5302 is at 1.648816 2.142575 -2.667953 ESP Fit Center 5303 is at 0.908144 -2.604486 1.679385 ESP Fit Center 5304 is at 0.822981 -3.310294 1.410762 ESP Fit Center 5305 is at 1.085481 -2.987638 1.410762 ESP Fit Center 5306 is at 1.251195 -2.606125 1.410762 ESP Fit Center 5307 is at 0.852965 -3.634644 1.083443 ESP Fit Center 5308 is at 1.156279 -3.348481 1.083443 ESP Fit Center 5309 is at 1.385424 -3.000083 1.083443 ESP Fit Center 5310 is at 1.528047 -2.608231 1.083443 ESP Fit Center 5311 is at 0.397151 -4.091960 0.710007 ESP Fit Center 5312 is at 0.778273 -3.922274 0.710007 ESP Fit Center 5313 is at 1.115787 -3.677056 0.710007 ESP Fit Center 5314 is at 1.394941 -3.367023 0.710007 ESP Fit Center 5315 is at 1.603536 -3.005726 0.710007 ESP Fit Center 5316 is at 0.193781 -4.271841 0.304806 ESP Fit Center 5317 is at 0.591196 -4.151286 0.304806 ESP Fit Center 5318 is at 0.957456 -3.955516 0.304806 ESP Fit Center 5319 is at 1.278486 -3.692054 0.304806 ESP Fit Center 5320 is at 1.541948 -3.371024 0.304806 ESP Fit Center 5321 is at 0.289722 -4.293164 -0.116589 ESP Fit Center 5322 is at 0.677779 -4.158856 -0.116589 ESP Fit Center 5323 is at 1.033406 -3.953535 -0.116589 ESP Fit Center 5324 is at 1.343749 -3.684622 -0.116589 ESP Fit Center 5325 is at 1.597591 -3.361835 -0.116589 ESP Fit Center 5326 is at 0.193781 -4.271841 -0.537984 ESP Fit Center 5327 is at 0.591196 -4.151286 -0.537984 ESP Fit Center 5328 is at 0.957456 -3.955516 -0.537984 ESP Fit Center 5329 is at 1.278486 -3.692054 -0.537984 ESP Fit Center 5330 is at 1.541948 -3.371024 -0.537984 ESP Fit Center 5331 is at -0.010922 -4.178699 -0.943185 ESP Fit Center 5332 is at 0.397151 -4.091960 -0.943185 ESP Fit Center 5333 is at 0.778273 -3.922274 -0.943185 ESP Fit Center 5334 is at 1.115787 -3.677056 -0.943185 ESP Fit Center 5335 is at 1.394941 -3.367023 -0.943185 ESP Fit Center 5336 is at 1.603536 -3.005726 -0.943185 ESP Fit Center 5337 is at 0.491832 -3.843143 -1.316621 ESP Fit Center 5338 is at 0.852965 -3.634644 -1.316621 ESP Fit Center 5339 is at 1.156279 -3.348481 -1.316621 ESP Fit Center 5340 is at 1.385424 -3.000083 -1.316621 ESP Fit Center 5341 is at 1.528047 -2.608231 -1.316621 ESP Fit Center 5342 is at 0.483164 -3.550163 -1.643940 ESP Fit Center 5343 is at 0.822981 -3.310294 -1.643940 ESP Fit Center 5344 is at 1.085481 -2.987638 -1.643940 ESP Fit Center 5345 is at 1.251195 -2.606125 -1.643940 ESP Fit Center 5346 is at 0.980515 -2.194051 -1.912563 ESP Fit Center 5347 is at 0.380499 -3.233309 -1.912563 ESP Fit Center 5348 is at 0.699761 -2.965416 -1.912563 ESP Fit Center 5349 is at 0.908144 -2.604486 -1.912563 ESP Fit Center 5350 is at 0.607079 -2.194051 -2.112169 ESP Fit Center 5351 is at 0.496336 -1.780753 -2.112169 ESP Fit Center 5352 is at 0.496336 -2.607349 -2.112169 ESP Fit Center 5353 is at -1.693454 -4.421309 3.280063 ESP Fit Center 5354 is at -1.280156 -4.310566 3.280063 ESP Fit Center 5355 is at -2.293470 -4.633970 3.080458 ESP Fit Center 5356 is at -1.901837 -4.776513 3.080458 ESP Fit Center 5357 is at -1.485071 -4.776513 3.080458 ESP Fit Center 5358 is at -1.093438 -4.633970 3.080458 ESP Fit Center 5359 is at -0.774176 -4.366078 3.080458 ESP Fit Center 5360 is at -2.878237 -4.558605 2.811834 ESP Fit Center 5361 is at -2.574247 -4.842512 2.811834 ESP Fit Center 5362 is at -2.204932 -5.033875 2.811834 ESP Fit Center 5363 is at -1.797684 -5.118502 2.811834 ESP Fit Center 5364 is at -1.382705 -5.090117 2.811834 ESP Fit Center 5365 is at -0.990773 -4.950824 2.811834 ESP Fit Center 5366 is at -0.650956 -4.710955 2.811834 ESP Fit Center 5367 is at -0.388456 -4.388299 2.811834 ESP Fit Center 5368 is at -3.193969 -4.581616 2.484515 ESP Fit Center 5369 is at -2.925926 -4.901057 2.484515 ESP Fit Center 5370 is at -2.591441 -5.150072 2.484515 ESP Fit Center 5371 is at -2.208545 -5.315237 2.484515 ESP Fit Center 5372 is at -1.797880 -5.387648 2.484515 ESP Fit Center 5373 is at -1.381586 -5.363402 2.484515 ESP Fit Center 5374 is at -0.982105 -5.243805 2.484515 ESP Fit Center 5375 is at -0.620972 -5.035305 2.484515 ESP Fit Center 5376 is at -0.317658 -4.749142 2.484515 ESP Fit Center 5377 is at -0.088513 -4.400744 2.484515 ESP Fit Center 5378 is at -3.307912 -4.767685 2.111080 ESP Fit Center 5379 is at -3.028757 -5.077717 2.111080 ESP Fit Center 5380 is at -2.691244 -5.322935 2.111080 ESP Fit Center 5381 is at -2.310122 -5.492622 2.111080 ESP Fit Center 5382 is at -1.902049 -5.579360 2.111080 ESP Fit Center 5383 is at -1.484859 -5.579360 2.111080 ESP Fit Center 5384 is at -1.076786 -5.492622 2.111080 ESP Fit Center 5385 is at -0.695664 -5.322935 2.111080 ESP Fit Center 5386 is at -0.358150 -5.077717 2.111080 ESP Fit Center 5387 is at -0.078996 -4.767685 2.111080 ESP Fit Center 5388 is at 0.129599 -4.406388 2.111080 ESP Fit Center 5389 is at -3.454919 -4.771686 1.705879 ESP Fit Center 5390 is at -3.191457 -5.092715 1.705879 ESP Fit Center 5391 is at -2.870427 -5.356178 1.705879 ESP Fit Center 5392 is at -2.504167 -5.551948 1.705879 ESP Fit Center 5393 is at -2.106752 -5.672502 1.705879 ESP Fit Center 5394 is at -1.693454 -5.713209 1.705879 ESP Fit Center 5395 is at -1.280156 -5.672502 1.705879 ESP Fit Center 5396 is at -0.882740 -5.551948 1.705879 ESP Fit Center 5397 is at -0.516480 -5.356178 1.705879 ESP Fit Center 5398 is at -0.195451 -5.092715 1.705879 ESP Fit Center 5399 is at 0.068011 -4.771686 1.705879 ESP Fit Center 5400 is at 0.263781 -4.405426 1.705879 ESP Fit Center 5401 is at -3.613338 -4.584482 1.284483 ESP Fit Center 5402 is at -3.391329 -4.929936 1.284483 ESP Fit Center 5403 is at -3.107953 -5.227132 1.284483 ESP Fit Center 5404 is at -2.773454 -5.465327 1.284483 ESP Fit Center 5405 is at -2.399921 -5.635914 1.284483 ESP Fit Center 5406 is at -2.000854 -5.732727 1.284483 ESP Fit Center 5407 is at -1.590677 -5.752266 1.284483 ESP Fit Center 5408 is at -1.184215 -5.693825 1.284483 ESP Fit Center 5409 is at -0.796157 -5.559518 1.284483 ESP Fit Center 5410 is at -0.440531 -5.354196 1.284483 ESP Fit Center 5411 is at -0.130188 -5.085283 1.284483 ESP Fit Center 5412 is at 0.123654 -4.762497 1.284483 ESP Fit Center 5413 is at 0.311821 -4.397503 1.284483 ESP Fit Center 5414 is at -3.650689 -4.405426 0.863088 ESP Fit Center 5415 is at -3.454919 -4.771686 0.863088 ESP Fit Center 5416 is at -3.191457 -5.092715 0.863088 ESP Fit Center 5417 is at -2.870427 -5.356178 0.863088 ESP Fit Center 5418 is at -2.504167 -5.551948 0.863088 ESP Fit Center 5419 is at -2.106752 -5.672502 0.863088 ESP Fit Center 5420 is at -1.693454 -5.713209 0.863088 ESP Fit Center 5421 is at -1.280156 -5.672502 0.863088 ESP Fit Center 5422 is at -0.882740 -5.551948 0.863088 ESP Fit Center 5423 is at -0.516480 -5.356178 0.863088 ESP Fit Center 5424 is at -0.195451 -5.092715 0.863088 ESP Fit Center 5425 is at 0.068011 -4.771686 0.863088 ESP Fit Center 5426 is at 0.263781 -4.405426 0.863088 ESP Fit Center 5427 is at -3.516507 -4.406388 0.457887 ESP Fit Center 5428 is at -3.307912 -4.767685 0.457887 ESP Fit Center 5429 is at -3.028757 -5.077717 0.457887 ESP Fit Center 5430 is at -2.691244 -5.322935 0.457887 ESP Fit Center 5431 is at -2.310122 -5.492622 0.457887 ESP Fit Center 5432 is at -1.902049 -5.579360 0.457887 ESP Fit Center 5433 is at -1.484859 -5.579360 0.457887 ESP Fit Center 5434 is at -1.076786 -5.492622 0.457887 ESP Fit Center 5435 is at -0.695664 -5.322935 0.457887 ESP Fit Center 5436 is at -0.358150 -5.077717 0.457887 ESP Fit Center 5437 is at -0.078996 -4.767685 0.457887 ESP Fit Center 5438 is at 0.129599 -4.406388 0.457887 ESP Fit Center 5439 is at -3.193969 -4.581616 0.084452 ESP Fit Center 5440 is at -2.925926 -4.901057 0.084452 ESP Fit Center 5441 is at -2.591441 -5.150072 0.084452 ESP Fit Center 5442 is at -2.208545 -5.315237 0.084452 ESP Fit Center 5443 is at -1.797880 -5.387648 0.084452 ESP Fit Center 5444 is at -1.381586 -5.363402 0.084452 ESP Fit Center 5445 is at -0.982105 -5.243805 0.084452 ESP Fit Center 5446 is at -0.620972 -5.035305 0.084452 ESP Fit Center 5447 is at -0.317658 -4.749142 0.084452 ESP Fit Center 5448 is at -0.088513 -4.400744 0.084452 ESP Fit Center 5449 is at -2.574247 -4.842512 -0.242867 ESP Fit Center 5450 is at -2.204932 -5.033875 -0.242867 ESP Fit Center 5451 is at -1.797684 -5.118502 -0.242867 ESP Fit Center 5452 is at -1.382705 -5.090117 -0.242867 ESP Fit Center 5453 is at -0.990773 -4.950824 -0.242867 ESP Fit Center 5454 is at -0.650956 -4.710955 -0.242867 ESP Fit Center 5455 is at -1.178564 -2.143511 4.303865 ESP Fit Center 5456 is at -0.757169 -2.143511 4.262361 ESP Fit Center 5457 is at -0.967866 -1.778572 4.262361 ESP Fit Center 5458 is at -1.389261 -1.778572 4.262361 ESP Fit Center 5459 is at -1.599959 -2.143511 4.262361 ESP Fit Center 5460 is at -1.389261 -2.508450 4.262361 ESP Fit Center 5461 is at -0.967866 -2.508450 4.262361 ESP Fit Center 5462 is at -0.351968 -2.143511 4.139445 ESP Fit Center 5463 is at -0.462710 -1.730213 4.139445 ESP Fit Center 5464 is at -0.765266 -1.427658 4.139445 ESP Fit Center 5465 is at -1.178564 -1.316915 4.139445 ESP Fit Center 5466 is at -1.591862 -1.427658 4.139445 ESP Fit Center 5467 is at -1.894417 -1.730213 4.139445 ESP Fit Center 5468 is at -2.005160 -2.143511 4.139445 ESP Fit Center 5469 is at -1.894417 -2.556809 4.139445 ESP Fit Center 5470 is at -1.591862 -2.859364 4.139445 ESP Fit Center 5471 is at -1.178564 -2.970107 4.139445 ESP Fit Center 5472 is at -0.765266 -2.859364 4.139445 ESP Fit Center 5473 is at -0.462710 -2.556809 4.139445 ESP Fit Center 5474 is at 0.021468 -2.143511 3.939839 ESP Fit Center 5475 is at -0.050903 -1.733076 3.939839 ESP Fit Center 5476 is at -0.259286 -1.372145 3.939839 ESP Fit Center 5477 is at -0.578548 -1.104253 3.939839 ESP Fit Center 5478 is at -0.970180 -0.961710 3.939839 ESP Fit Center 5479 is at -1.386947 -0.961710 3.939839 ESP Fit Center 5480 is at -1.778580 -1.104253 3.939839 ESP Fit Center 5481 is at -2.097841 -1.372145 3.939839 ESP Fit Center 5482 is at -2.306225 -1.733076 3.939839 ESP Fit Center 5483 is at -2.378595 -2.143511 3.939839 ESP Fit Center 5484 is at -1.778580 -3.182769 3.939839 ESP Fit Center 5485 is at -1.386947 -3.325311 3.939839 ESP Fit Center 5486 is at -0.970180 -3.325311 3.939839 ESP Fit Center 5487 is at -0.578548 -3.182769 3.939839 ESP Fit Center 5488 is at -0.259286 -2.914876 3.939839 ESP Fit Center 5489 is at -0.050903 -2.553946 3.939839 ESP Fit Center 5490 is at 0.348787 -2.143511 3.671216 ESP Fit Center 5491 is at 0.292149 -1.731437 3.671216 ESP Fit Center 5492 is at 0.126434 -1.349924 3.671216 ESP Fit Center 5493 is at -0.136066 -1.027268 3.671216 ESP Fit Center 5494 is at -0.475883 -0.787399 3.671216 ESP Fit Center 5495 is at -0.867815 -0.648106 3.671216 ESP Fit Center 5496 is at -1.282794 -0.619721 3.671216 ESP Fit Center 5497 is at -1.690042 -0.704348 3.671216 ESP Fit Center 5498 is at -2.059357 -0.895711 3.671216 ESP Fit Center 5499 is at -2.363347 -1.179618 3.671216 ESP Fit Center 5500 is at -0.867815 -3.638916 3.671216 ESP Fit Center 5501 is at -0.475883 -3.499623 3.671216 ESP Fit Center 5502 is at -0.136066 -3.259754 3.671216 ESP Fit Center 5503 is at 0.126434 -2.937098 3.671216 ESP Fit Center 5504 is at 0.292149 -2.555585 3.671216 ESP Fit Center 5505 is at 0.617411 -2.143511 3.343897 ESP Fit Center 5506 is at 0.569000 -1.729331 3.343897 ESP Fit Center 5507 is at 0.426378 -1.337479 3.343897 ESP Fit Center 5508 is at 0.197232 -0.989081 3.343897 ESP Fit Center 5509 is at -0.106082 -0.702918 3.343897 ESP Fit Center 5510 is at -0.467215 -0.494418 3.343897 ESP Fit Center 5511 is at -0.866696 -0.374821 3.343897 ESP Fit Center 5512 is at -1.282990 -0.350575 3.343897 ESP Fit Center 5513 is at -1.693655 -0.422986 3.343897 ESP Fit Center 5514 is at -0.467215 -3.792603 3.343897 ESP Fit Center 5515 is at -0.106082 -3.584104 3.343897 ESP Fit Center 5516 is at 0.197232 -3.297941 3.343897 ESP Fit Center 5517 is at 0.426378 -2.949543 3.343897 ESP Fit Center 5518 is at 0.569000 -2.557691 3.343897 ESP Fit Center 5519 is at 0.817016 -2.143511 2.970461 ESP Fit Center 5520 is at 0.773408 -1.728606 2.970461 ESP Fit Center 5521 is at 0.644489 -1.331835 2.970461 ESP Fit Center 5522 is at 0.435894 -0.970538 2.970461 ESP Fit Center 5523 is at 0.156740 -0.660506 2.970461 ESP Fit Center 5524 is at -0.180774 -0.415288 2.970461 ESP Fit Center 5525 is at -0.561896 -0.245602 2.970461 ESP Fit Center 5526 is at -0.969969 -0.158863 2.970461 ESP Fit Center 5527 is at 0.156740 -3.626516 2.970461 ESP Fit Center 5528 is at 0.435894 -3.316483 2.970461 ESP Fit Center 5529 is at 0.644489 -2.955186 2.970461 ESP Fit Center 5530 is at 0.773408 -2.558415 2.970461 ESP Fit Center 5531 is at 0.939932 -2.143511 2.565260 ESP Fit Center 5532 is at 0.899226 -1.730213 2.565260 ESP Fit Center 5533 is at 0.778672 -1.332797 2.565260 ESP Fit Center 5534 is at 0.582901 -0.966537 2.565260 ESP Fit Center 5535 is at 0.319439 -0.645508 2.565260 ESP Fit Center 5536 is at 0.582901 -3.320484 2.565260 ESP Fit Center 5537 is at 0.778672 -2.954224 2.565260 ESP Fit Center 5538 is at 0.899226 -2.556809 2.565260 ESP Fit Center 5539 is at 0.981436 -2.143511 2.143865 ESP Fit Center 5540 is at 0.826711 -2.946302 2.143865 ESP Fit Center 5541 is at 0.942402 -2.552294 2.143865 ESP Fit Center 5542 is at 0.899226 -2.556809 1.722470 ESP Fit Center 5543 is at 3.768125 -0.569285 2.633448 ESP Fit Center 5544 is at 4.190498 -0.569285 2.600207 ESP Fit Center 5545 is at 3.979311 -0.203500 2.600207 ESP Fit Center 5546 is at 3.345752 -0.569285 2.600207 ESP Fit Center 5547 is at 3.556938 -0.935071 2.600207 ESP Fit Center 5548 is at 3.979311 -0.935071 2.600207 ESP Fit Center 5549 is at 4.490690 -0.152113 2.501301 ESP Fit Center 5550 is at 2.933779 -0.569285 2.501301 ESP Fit Center 5551 is at 3.045560 -0.986458 2.501301 ESP Fit Center 5552 is at 3.350952 -1.291850 2.501301 ESP Fit Center 5553 is at 3.768125 -1.403631 2.501301 ESP Fit Center 5554 is at 4.185298 -1.291850 2.501301 ESP Fit Center 5555 is at 2.542351 -0.569285 2.339166 ESP Fit Center 5556 is at 2.616274 -0.988525 2.339166 ESP Fit Center 5557 is at 2.829127 -1.357198 2.339166 ESP Fit Center 5558 is at 3.155238 -1.630837 2.339166 ESP Fit Center 5559 is at 3.555271 -1.776438 2.339166 ESP Fit Center 5560 is at 3.980978 -1.776438 2.339166 ESP Fit Center 5561 is at 2.393725 -1.362796 2.117794 ESP Fit Center 5562 is at 2.645932 -1.691478 2.117794 ESP Fit Center 5563 is at 2.974615 -1.943685 2.117794 ESP Fit Center 5564 is at 3.357374 -2.102229 2.117794 ESP Fit Center 5565 is at 3.768125 -2.156306 2.117794 ESP Fit Center 5566 is at 2.577765 -2.061949 1.842637 ESP Fit Center 5567 is at 2.939759 -2.289405 1.842637 ESP Fit Center 5568 is at 3.343291 -2.430606 1.842637 ESP Fit Center 5569 is at 3.457260 -2.731398 1.520469 ESP Fit Center 5570 is at 2.393725 -1.362796 -2.250897 ESP Fit Center 5571 is at 3.357374 -2.102229 -2.250897 ESP Fit Center 5572 is at 4.707123 0.218627 -2.472269 ESP Fit Center 5573 is at 4.381012 0.492266 -2.472269 ESP Fit Center 5574 is at 2.616274 -0.150046 -2.472269 ESP Fit Center 5575 is at 2.542351 -0.569285 -2.472269 ESP Fit Center 5576 is at 2.616274 -0.988525 -2.472269 ESP Fit Center 5577 is at 2.829127 -1.357198 -2.472269 ESP Fit Center 5578 is at 3.155238 -1.630837 -2.472269 ESP Fit Center 5579 is at 3.555271 -1.776438 -2.472269 ESP Fit Center 5580 is at 3.980978 -1.776438 -2.472269 ESP Fit Center 5581 is at 4.490690 -0.152113 -2.634404 ESP Fit Center 5582 is at 4.185298 0.153279 -2.634404 ESP Fit Center 5583 is at 3.768125 0.265060 -2.634404 ESP Fit Center 5584 is at 3.350952 0.153279 -2.634404 ESP Fit Center 5585 is at 3.045560 -0.152113 -2.634404 ESP Fit Center 5586 is at 2.933779 -0.569285 -2.634404 ESP Fit Center 5587 is at 3.045560 -0.986458 -2.634404 ESP Fit Center 5588 is at 3.350952 -1.291850 -2.634404 ESP Fit Center 5589 is at 3.768125 -1.403631 -2.634404 ESP Fit Center 5590 is at 4.185298 -1.291850 -2.634404 ESP Fit Center 5591 is at 4.190498 -0.569285 -2.733310 ESP Fit Center 5592 is at 3.979311 -0.203500 -2.733310 ESP Fit Center 5593 is at 3.556938 -0.203500 -2.733310 ESP Fit Center 5594 is at 3.345752 -0.569285 -2.733310 ESP Fit Center 5595 is at 3.556938 -0.935071 -2.733310 ESP Fit Center 5596 is at 3.979311 -0.935071 -2.733310 ESP Fit Center 5597 is at 3.768125 -0.569285 -2.766552 ESP Fit Center 5598 is at -4.105650 -0.153885 4.077571 ESP Fit Center 5599 is at -3.686813 -0.153885 4.056330 ESP Fit Center 5600 is at -3.896232 0.208838 4.056330 ESP Fit Center 5601 is at -4.315068 0.208838 4.056330 ESP Fit Center 5602 is at -4.524487 -0.153885 4.056330 ESP Fit Center 5603 is at -4.315068 -0.516609 4.056330 ESP Fit Center 5604 is at -3.896232 -0.516609 4.056330 ESP Fit Center 5605 is at -3.272274 -0.153885 3.992825 ESP Fit Center 5606 is at -3.383925 0.262803 3.992825 ESP Fit Center 5607 is at -3.688962 0.567839 3.992825 ESP Fit Center 5608 is at -4.105650 0.679490 3.992825 ESP Fit Center 5609 is at -4.522338 0.567839 3.992825 ESP Fit Center 5610 is at -4.827375 0.262803 3.992825 ESP Fit Center 5611 is at -4.939026 -0.153885 3.992825 ESP Fit Center 5612 is at -4.827375 -0.570573 3.992825 ESP Fit Center 5613 is at -4.522338 -0.875610 3.992825 ESP Fit Center 5614 is at -4.105650 -0.987261 3.992825 ESP Fit Center 5615 is at -3.688962 -0.875610 3.992825 ESP Fit Center 5616 is at -3.383925 -0.570573 3.992825 ESP Fit Center 5617 is at -2.866287 -0.153885 3.887707 ESP Fit Center 5618 is at -2.941029 0.270002 3.887707 ESP Fit Center 5619 is at -3.156243 0.642762 3.887707 ESP Fit Center 5620 is at -3.485968 0.919435 3.887707 ESP Fit Center 5621 is at -3.890437 1.066649 3.887707 ESP Fit Center 5622 is at -4.320863 1.066649 3.887707 ESP Fit Center 5623 is at -4.725332 0.919435 3.887707 ESP Fit Center 5624 is at -5.055057 0.642762 3.887707 ESP Fit Center 5625 is at -5.270271 0.270002 3.887707 ESP Fit Center 5626 is at -5.345013 -0.153885 3.887707 ESP Fit Center 5627 is at -5.270271 -0.577773 3.887707 ESP Fit Center 5628 is at -5.055057 -0.950533 3.887707 ESP Fit Center 5629 is at -4.725332 -1.227206 3.887707 ESP Fit Center 5630 is at -4.320863 -1.374420 3.887707 ESP Fit Center 5631 is at -3.890437 -1.374420 3.887707 ESP Fit Center 5632 is at -3.485968 -1.227206 3.887707 ESP Fit Center 5633 is at -3.156243 -0.950533 3.887707 ESP Fit Center 5634 is at -2.941029 -0.577773 3.887707 ESP Fit Center 5635 is at -2.473017 -0.153885 3.742056 ESP Fit Center 5636 is at -2.528647 0.268671 3.742056 ESP Fit Center 5637 is at -2.691748 0.662431 3.742056 ESP Fit Center 5638 is at -2.951204 1.000561 3.742056 ESP Fit Center 5639 is at -3.289333 1.260016 3.742056 ESP Fit Center 5640 is at -3.683093 1.423117 3.742056 ESP Fit Center 5641 is at -4.105650 1.478748 3.742056 ESP Fit Center 5642 is at -4.528207 1.423117 3.742056 ESP Fit Center 5643 is at -4.921967 1.260016 3.742056 ESP Fit Center 5644 is at -5.260096 1.000561 3.742056 ESP Fit Center 5645 is at -5.519552 0.662431 3.742056 ESP Fit Center 5646 is at -5.682653 0.268671 3.742056 ESP Fit Center 5647 is at -5.738283 -0.153885 3.742056 ESP Fit Center 5648 is at -5.682653 -0.576442 3.742056 ESP Fit Center 5649 is at -5.519552 -0.970202 3.742056 ESP Fit Center 5650 is at -5.260096 -1.308331 3.742056 ESP Fit Center 5651 is at -4.921967 -1.567787 3.742056 ESP Fit Center 5652 is at -4.528207 -1.730888 3.742056 ESP Fit Center 5653 is at -4.105650 -1.786519 3.742056 ESP Fit Center 5654 is at -3.683093 -1.730888 3.742056 ESP Fit Center 5655 is at -3.289333 -1.567787 3.742056 ESP Fit Center 5656 is at -2.951204 -1.308331 3.742056 ESP Fit Center 5657 is at -2.691748 -0.970202 3.742056 ESP Fit Center 5658 is at -2.528647 -0.576442 3.742056 ESP Fit Center 5659 is at -2.096500 -0.153885 3.557366 ESP Fit Center 5660 is at -2.140405 0.263840 3.557366 ESP Fit Center 5661 is at -2.270200 0.663310 3.557366 ESP Fit Center 5662 is at -2.480213 1.027063 3.557366 ESP Fit Center 5663 is at -2.761266 1.339204 3.557366 ESP Fit Center 5664 is at -3.101075 1.586090 3.557366 ESP Fit Center 5665 is at -3.484789 1.756930 3.557366 ESP Fit Center 5666 is at -3.895637 1.844258 3.557366 ESP Fit Center 5667 is at -4.315663 1.844258 3.557366 ESP Fit Center 5668 is at -4.726512 1.756930 3.557366 ESP Fit Center 5669 is at -5.110225 1.586090 3.557366 ESP Fit Center 5670 is at -5.450034 1.339204 3.557366 ESP Fit Center 5671 is at -5.731087 1.027063 3.557366 ESP Fit Center 5672 is at -5.941100 0.663310 3.557366 ESP Fit Center 5673 is at -6.070895 0.263840 3.557366 ESP Fit Center 5674 is at -6.114800 -0.153885 3.557366 ESP Fit Center 5675 is at -6.070895 -0.571611 3.557366 ESP Fit Center 5676 is at -5.941100 -0.971080 3.557366 ESP Fit Center 5677 is at -5.731087 -1.334834 3.557366 ESP Fit Center 5678 is at -5.450034 -1.646975 3.557366 ESP Fit Center 5679 is at -5.110225 -1.893860 3.557366 ESP Fit Center 5680 is at -4.726512 -2.064701 3.557366 ESP Fit Center 5681 is at -4.315663 -2.152029 3.557366 ESP Fit Center 5682 is at -3.895637 -2.152029 3.557366 ESP Fit Center 5683 is at -3.484789 -2.064701 3.557366 ESP Fit Center 5684 is at -2.140405 -0.571611 3.557366 ESP Fit Center 5685 is at -1.740600 -0.153885 3.335532 ESP Fit Center 5686 is at -1.778607 0.268411 3.335532 ESP Fit Center 5687 is at -1.891407 0.677134 3.335532 ESP Fit Center 5688 is at -2.075375 1.059147 3.335532 ESP Fit Center 5689 is at -2.324598 1.402173 3.335532 ESP Fit Center 5690 is at -2.631065 1.695185 3.335532 ESP Fit Center 5691 is at -2.984927 1.928767 3.335532 ESP Fit Center 5692 is at -3.374809 2.095411 3.335532 ESP Fit Center 5693 is at -3.788182 2.189761 3.335532 ESP Fit Center 5694 is at -4.211758 2.208784 3.335532 ESP Fit Center 5695 is at -4.631923 2.151868 3.335532 ESP Fit Center 5696 is at -5.035174 2.020844 3.335532 ESP Fit Center 5697 is at -5.408549 1.819922 3.335532 ESP Fit Center 5698 is at -5.740048 1.555561 3.335532 ESP Fit Center 5699 is at -6.019016 1.236256 3.335532 ESP Fit Center 5700 is at -6.236487 0.872272 3.335532 ESP Fit Center 5701 is at -6.385471 0.475305 3.335532 ESP Fit Center 5702 is at -6.461179 0.058116 3.335532 ESP Fit Center 5703 is at -6.461179 -0.365887 3.335532 ESP Fit Center 5704 is at -6.385471 -0.783076 3.335532 ESP Fit Center 5705 is at -6.236487 -1.180042 3.335532 ESP Fit Center 5706 is at -6.019016 -1.544027 3.335532 ESP Fit Center 5707 is at -5.740048 -1.863332 3.335532 ESP Fit Center 5708 is at -5.408549 -2.127693 3.335532 ESP Fit Center 5709 is at -5.035174 -2.328615 3.335532 ESP Fit Center 5710 is at -4.631923 -2.459639 3.335532 ESP Fit Center 5711 is at -4.211758 -2.516554 3.335532 ESP Fit Center 5712 is at -1.408968 -0.153885 3.078830 ESP Fit Center 5713 is at -1.440572 0.257761 3.078830 ESP Fit Center 5714 is at -1.534643 0.659759 3.078830 ESP Fit Center 5715 is at -1.688976 1.042686 3.078830 ESP Fit Center 5716 is at -1.899955 1.397566 3.078830 ESP Fit Center 5717 is at -2.162632 1.716082 3.078830 ESP Fit Center 5718 is at -2.470853 1.990767 3.078830 ESP Fit Center 5719 is at -2.817392 2.215183 3.078830 ESP Fit Center 5720 is at -3.194126 2.384070 3.078830 ESP Fit Center 5721 is at -3.592226 2.493470 3.078830 ESP Fit Center 5722 is at -4.002360 2.540818 3.078830 ESP Fit Center 5723 is at -4.414915 2.525004 3.078830 ESP Fit Center 5724 is at -4.820221 2.446400 3.078830 ESP Fit Center 5725 is at -5.208778 2.306847 3.078830 ESP Fit Center 5726 is at -5.571479 2.109616 3.078830 ESP Fit Center 5727 is at -5.899822 1.859331 3.078830 ESP Fit Center 5728 is at -6.186111 1.561858 3.078830 ESP Fit Center 5729 is at -6.423636 1.224170 3.078830 ESP Fit Center 5730 is at -6.606829 0.854180 3.078830 ESP Fit Center 5731 is at -6.731397 0.460563 3.078830 ESP Fit Center 5732 is at -6.794420 0.052544 3.078830 ESP Fit Center 5733 is at -6.794420 -0.360314 3.078830 ESP Fit Center 5734 is at -6.731397 -0.768334 3.078830 ESP Fit Center 5735 is at -6.606829 -1.161951 3.078830 ESP Fit Center 5736 is at -6.423636 -1.531940 3.078830 ESP Fit Center 5737 is at -6.186111 -1.869629 3.078830 ESP Fit Center 5738 is at -5.899822 -2.167102 3.078830 ESP Fit Center 5739 is at -5.571479 -2.417387 3.078830 ESP Fit Center 5740 is at -5.208778 -2.614618 3.078830 ESP Fit Center 5741 is at -4.820221 -2.754171 3.078830 ESP Fit Center 5742 is at -4.414915 -2.832775 3.078830 ESP Fit Center 5743 is at -1.134210 0.263723 2.789894 ESP Fit Center 5744 is at -1.221248 0.673204 2.789894 ESP Fit Center 5745 is at -1.364427 1.066586 2.789894 ESP Fit Center 5746 is at -1.560961 1.436213 2.789894 ESP Fit Center 5747 is at -1.807025 1.774890 2.789894 ESP Fit Center 5748 is at -2.097829 2.076026 2.789894 ESP Fit Center 5749 is at -2.427712 2.333760 2.789894 ESP Fit Center 5750 is at -2.790255 2.543074 2.789894 ESP Fit Center 5751 is at -3.178401 2.699895 2.789894 ESP Fit Center 5752 is at -3.584594 2.801170 2.789894 ESP Fit Center 5753 is at -4.000929 2.844929 2.789894 ESP Fit Center 5754 is at -4.419303 2.830319 2.789894 ESP Fit Center 5755 is at -4.831571 2.757625 2.789894 ESP Fit Center 5756 is at -5.229710 2.628262 2.789894 ESP Fit Center 5757 is at -5.605971 2.444747 2.789894 ESP Fit Center 5758 is at -5.953030 2.210653 2.789894 ESP Fit Center 5759 is at -6.264131 1.930536 2.789894 ESP Fit Center 5760 is at -6.533221 1.609848 2.789894 ESP Fit Center 5761 is at -6.755060 1.254831 2.789894 ESP Fit Center 5762 is at -6.925331 0.872395 2.789894 ESP Fit Center 5763 is at -7.040721 0.469983 2.789894 ESP Fit Center 5764 is at -7.098983 0.055429 2.789894 ESP Fit Center 5765 is at -7.098983 -0.363200 2.789894 ESP Fit Center 5766 is at -7.040721 -0.777754 2.789894 ESP Fit Center 5767 is at -6.925331 -1.180165 2.789894 ESP Fit Center 5768 is at -6.755060 -1.562602 2.789894 ESP Fit Center 5769 is at -6.533221 -1.917619 2.789894 ESP Fit Center 5770 is at -6.264131 -2.238307 2.789894 ESP Fit Center 5771 is at -5.953030 -2.518424 2.789894 ESP Fit Center 5772 is at -5.605971 -2.752518 2.789894 ESP Fit Center 5773 is at -5.229710 -2.936032 2.789894 ESP Fit Center 5774 is at -4.831571 -3.065396 2.789894 ESP Fit Center 5775 is at -4.419303 -3.138090 2.789894 ESP Fit Center 5776 is at -2.408530 2.645691 2.471690 ESP Fit Center 5777 is at -2.780466 2.839729 2.471690 ESP Fit Center 5778 is at -3.174160 2.984612 2.471690 ESP Fit Center 5779 is at -3.583150 3.077962 2.471690 ESP Fit Center 5780 is at -4.000719 3.118244 2.471690 ESP Fit Center 5781 is at -4.420011 3.104798 2.471690 ESP Fit Center 5782 is at -4.834142 3.037845 2.471690 ESP Fit Center 5783 is at -5.236310 2.918483 2.471690 ESP Fit Center 5784 is at -5.619913 2.748674 2.471690 ESP Fit Center 5785 is at -5.978652 2.531204 2.471690 ESP Fit Center 5786 is at -6.306636 2.269645 2.471690 ESP Fit Center 5787 is at -6.598481 1.968292 2.471690 ESP Fit Center 5788 is at -6.849393 1.632093 2.471690 ESP Fit Center 5789 is at -7.055252 1.266568 2.471690 ESP Fit Center 5790 is at -7.212680 0.877720 2.471690 ESP Fit Center 5791 is at -7.319090 0.471932 2.471690 ESP Fit Center 5792 is at -7.372735 0.055868 2.471690 ESP Fit Center 5793 is at -7.372735 -0.363639 2.471690 ESP Fit Center 5794 is at -7.319090 -0.779703 2.471690 ESP Fit Center 5795 is at -7.212680 -1.185490 2.471690 ESP Fit Center 5796 is at -7.055252 -1.574339 2.471690 ESP Fit Center 5797 is 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2.293368 2.127482 ESP Fit Center 5816 is at -6.898282 1.978038 2.127482 ESP Fit Center 5817 is at -7.130830 1.632781 2.127482 ESP Fit Center 5818 is at -7.320911 1.262443 2.127482 ESP Fit Center 5819 is at -7.465857 0.872223 2.127482 ESP Fit Center 5820 is at -7.563633 0.467599 2.127482 ESP Fit Center 5821 is at -7.612867 0.054250 2.127482 ESP Fit Center 5822 is at -7.612867 -0.362021 2.127482 ESP Fit Center 5823 is at -7.563633 -0.775369 2.127482 ESP Fit Center 5824 is at -7.465857 -1.179994 2.127482 ESP Fit Center 5825 is at -7.320911 -1.570214 2.127482 ESP Fit Center 5826 is at -7.130830 -1.940552 2.127482 ESP Fit Center 5827 is at -6.898282 -2.285809 2.127482 ESP Fit Center 5828 is at -6.626531 -2.601139 2.127482 ESP Fit Center 5829 is at -6.319393 -2.882114 2.127482 ESP Fit Center 5830 is at -5.981178 -3.124792 2.127482 ESP Fit Center 5831 is at -5.616636 -3.325764 2.127482 ESP Fit Center 5832 is at -5.230882 -3.482210 2.127482 ESP Fit Center 5833 is at -4.829333 -3.591933 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is at -3.686813 -0.153885 -4.181188 ESP Fit Center 6413 is at -3.896232 0.208838 -4.181188 ESP Fit Center 6414 is at -4.315068 0.208838 -4.181188 ESP Fit Center 6415 is at -4.524487 -0.153885 -4.181188 ESP Fit Center 6416 is at -4.315068 -0.516609 -4.181188 ESP Fit Center 6417 is at -3.896232 -0.516609 -4.181188 ESP Fit Center 6418 is at -4.105650 -0.153885 -4.202429 ESP Fit Center 6419 is at 3.111312 3.217616 2.031616 ESP Fit Center 6420 is at 3.595490 2.804318 1.832011 ESP Fit Center 6421 is at 3.523120 3.214753 1.832011 ESP Fit Center 6422 is at 3.314736 3.575683 1.832011 ESP Fit Center 6423 is at 2.995475 3.843576 1.832011 ESP Fit Center 6424 is at 2.603842 3.986118 1.832011 ESP Fit Center 6425 is at 3.922809 2.804318 1.563387 ESP Fit Center 6426 is at 3.866171 3.216392 1.563387 ESP Fit Center 6427 is at 3.700457 3.597905 1.563387 ESP Fit Center 6428 is at 3.437957 3.920560 1.563387 ESP Fit Center 6429 is at 3.098139 4.160430 1.563387 ESP Fit Center 6430 is at 2.706207 4.299722 1.563387 ESP Fit Center 6431 is at 2.291229 4.328108 1.563387 ESP Fit Center 6432 is at 4.143022 3.218498 1.236068 ESP Fit Center 6433 is at 4.000400 3.610349 1.236068 ESP Fit Center 6434 is at 3.771255 3.958748 1.236068 ESP Fit Center 6435 is at 3.467940 4.244910 1.236068 ESP Fit Center 6436 is at 3.106808 4.453410 1.236068 ESP Fit Center 6437 is at 2.707326 4.573007 1.236068 ESP Fit Center 6438 is at 2.291032 4.597253 1.236068 ESP Fit Center 6439 is at 4.347430 3.219222 0.862633 ESP Fit Center 6440 is at 4.218512 3.615993 0.862633 ESP Fit Center 6441 is at 4.009917 3.977290 0.862633 ESP Fit Center 6442 is at 3.730762 4.287322 0.862633 ESP Fit Center 6443 is at 3.393249 4.532540 0.862633 ESP Fit Center 6444 is at 3.012127 4.702227 0.862633 ESP Fit Center 6445 is at 2.604054 4.788965 0.862633 ESP Fit Center 6446 is at 4.473249 3.217616 0.457432 ESP Fit Center 6447 is at 4.352694 3.615031 0.457432 ESP Fit Center 6448 is at 4.156924 3.981291 0.457432 ESP Fit Center 6449 is at 3.893462 4.302321 0.457432 ESP Fit Center 6450 is at 3.572432 4.565783 0.457432 ESP Fit Center 6451 is at 3.206172 4.761553 0.457432 ESP Fit Center 6452 is at 2.808757 4.882108 0.457432 ESP Fit Center 6453 is at 4.516425 3.213100 0.036037 ESP Fit Center 6454 is at 4.400733 3.607109 0.036037 ESP Fit Center 6455 is at 4.212566 3.972102 0.036037 ESP Fit Center 6456 is at 3.958724 4.294888 0.036037 ESP Fit Center 6457 is at 3.648382 4.563802 0.036037 ESP Fit Center 6458 is at 3.292755 4.769123 0.036037 ESP Fit Center 6459 is at 2.904698 4.903431 0.036037 ESP Fit Center 6460 is at 2.498236 4.961871 0.036037 ESP Fit Center 6461 is at 4.473249 3.217616 -0.385358 ESP Fit Center 6462 is at 4.352694 3.615031 -0.385358 ESP Fit Center 6463 is at 4.156924 3.981291 -0.385358 ESP Fit Center 6464 is at 3.893462 4.302321 -0.385358 ESP Fit Center 6465 is at 3.572432 4.565783 -0.385358 ESP Fit Center 6466 is at 3.206172 4.761553 -0.385358 ESP Fit Center 6467 is at 2.808757 4.882108 -0.385358 ESP Fit Center 6468 is at 4.347430 3.219222 -0.790560 ESP Fit Center 6469 is at 4.218512 3.615993 -0.790560 ESP Fit Center 6470 is at 4.009917 3.977290 -0.790560 ESP Fit Center 6471 is at 3.730762 4.287322 -0.790560 ESP Fit Center 6472 is at 3.393249 4.532540 -0.790560 ESP Fit Center 6473 is at 3.012127 4.702227 -0.790560 ESP Fit Center 6474 is at 2.604054 4.788965 -0.790560 ESP Fit Center 6475 is at 4.143022 3.218498 -1.163995 ESP Fit Center 6476 is at 4.000400 3.610349 -1.163995 ESP Fit Center 6477 is at 3.771255 3.958748 -1.163995 ESP Fit Center 6478 is at 3.467940 4.244910 -1.163995 ESP Fit Center 6479 is at 3.106808 4.453410 -1.163995 ESP Fit Center 6480 is at 2.707326 4.573007 -1.163995 ESP Fit Center 6481 is at 3.922809 2.804318 -1.491314 ESP Fit Center 6482 is at 3.866171 3.216392 -1.491314 ESP Fit Center 6483 is at 3.700457 3.597905 -1.491314 ESP Fit Center 6484 is at 3.437957 3.920560 -1.491314 ESP Fit Center 6485 is at 3.098139 4.160430 -1.491314 ESP Fit Center 6486 is at 2.706207 4.299722 -1.491314 ESP Fit Center 6487 is at 2.291229 4.328108 -1.491314 ESP Fit Center 6488 is at 3.595490 2.804318 -1.759938 ESP Fit Center 6489 is at 3.523120 3.214753 -1.759938 ESP Fit Center 6490 is at 3.314736 3.575683 -1.759938 ESP Fit Center 6491 is at 2.995475 3.843576 -1.759938 ESP Fit Center 6492 is at 2.603842 3.986118 -1.759938 ESP Fit Center 6493 is at -3.228272 -2.247874 3.611225 ESP Fit Center 6494 is at -3.633473 -2.247874 3.488308 ESP Fit Center 6495 is at -3.522731 -2.661172 3.488308 ESP Fit Center 6496 is at -3.934538 -2.658309 3.288703 ESP Fit Center 6497 is at -3.726155 -3.019240 3.288703 ESP Fit Center 6498 is at -3.991660 -3.211767 3.020079 ESP Fit Center 6499 is at -3.687670 -3.495674 3.020079 ESP Fit Center 6500 is at -4.039350 -3.554218 2.692760 ESP Fit Center 6501 is at -4.142181 -3.730879 2.319325 ESP Fit Center 6502 is at -3.983851 -4.009339 1.914124 ESP Fit Center 6503 is at -3.650494 -4.286724 -0.617050 ESP Fit Center 6504 is at -3.919781 -4.200104 -1.038445 ESP Fit Center 6505 is at -3.546248 -4.370691 -1.038445 ESP Fit Center 6506 is at -4.016754 -4.090954 -1.459840 ESP Fit Center 6507 is at -3.650494 -4.286724 -1.459840 ESP Fit Center 6508 is at -3.837571 -4.057712 -1.865041 ESP Fit Center 6509 is at -3.737768 -3.884848 -2.238477 ESP Fit Center 6510 is at -3.720574 -3.577288 -2.565796 ESP Fit Center 6511 is at 5.050599 -0.905540 2.659278 ESP Fit Center 6512 is at 5.472972 -0.905540 2.626037 ESP Fit Center 6513 is at 5.261785 -0.539754 2.626037 ESP Fit Center 6514 is at 4.839412 -0.539754 2.626037 ESP Fit Center 6515 is at 4.628226 -0.905540 2.626037 ESP Fit Center 6516 is at 4.839412 -1.271326 2.626037 ESP Fit Center 6517 is at 5.261785 -1.271326 2.626037 ESP Fit Center 6518 is at 4.633426 -0.182975 2.527131 ESP Fit Center 6519 is at 4.328034 -1.322713 2.527131 ESP Fit Center 6520 is at 4.633426 -1.628104 2.527131 ESP Fit Center 6521 is at 5.050599 -1.739886 2.527131 ESP Fit Center 6522 is at 5.467772 -1.628104 2.527131 ESP Fit Center 6523 is at 5.773164 -1.322713 2.527131 ESP Fit Center 6524 is at 4.111601 -1.693452 2.364996 ESP Fit Center 6525 is at 4.437712 -1.967091 2.364996 ESP Fit Center 6526 is at 5.263452 0.301612 -2.446439 ESP Fit Center 6527 is at 4.837745 0.301612 -2.446439 ESP Fit Center 6528 is at 5.467772 -0.182975 -2.608574 ESP Fit Center 6529 is at 5.050599 -0.071194 -2.608574 ESP Fit Center 6530 is at 4.633426 -0.182975 -2.608574 ESP Fit Center 6531 is at 4.328034 -1.322713 -2.608574 ESP Fit Center 6532 is at 5.472972 -0.905540 -2.707480 ESP Fit Center 6533 is at 5.261785 -0.539754 -2.707480 ESP Fit Center 6534 is at 4.839412 -0.539754 -2.707480 ESP Fit Center 6535 is at 4.628226 -0.905540 -2.707480 ESP Fit Center 6536 is at 4.839412 -1.271326 -2.707480 ESP Fit Center 6537 is at 5.050599 -0.905540 -2.740722 ESP Fit Center 6538 is at 2.164619 -2.163183 1.602261 ESP Fit Center 6539 is at 2.483881 -2.431075 1.602261 ESP Fit Center 6540 is at 2.875513 -2.573618 1.602261 ESP Fit Center 6541 is at 2.203103 -2.639617 1.333638 ESP Fit Center 6542 is at 2.572418 -2.830980 1.333638 ESP Fit Center 6543 is at 2.979666 -2.915607 1.333638 ESP Fit Center 6544 is at 1.851424 -2.698161 1.006319 ESP Fit Center 6545 is at 2.185909 -2.947176 1.006319 ESP Fit Center 6546 is at 2.568805 -3.112342 1.006319 ESP Fit Center 6547 is at 1.748593 -2.874822 0.632883 ESP Fit Center 6548 is at 2.086107 -3.120040 0.632883 ESP Fit Center 6549 is at 2.467228 -3.289726 0.632883 ESP Fit Center 6550 is at 1.906923 -3.153282 0.227682 ESP Fit Center 6551 is at 2.273183 -3.349052 0.227682 ESP Fit Center 6552 is at 2.003896 -3.262432 -0.193713 ESP Fit Center 6553 is at 2.377430 -3.433019 -0.193713 ESP Fit Center 6554 is at 1.906923 -3.153282 -0.615108 ESP Fit Center 6555 is at 2.273183 -3.349052 -0.615108 ESP Fit Center 6556 is at 1.748593 -2.874822 -1.020309 ESP Fit Center 6557 is at 2.086107 -3.120040 -1.020309 ESP Fit Center 6558 is at 2.467228 -3.289726 -1.020309 ESP Fit Center 6559 is at 1.583382 -2.378721 -1.393745 ESP Fit Center 6560 is at 1.851424 -2.698161 -1.393745 ESP Fit Center 6561 is at 2.185909 -2.947176 -1.393745 ESP Fit Center 6562 is at 2.568805 -3.112342 -1.393745 ESP Fit Center 6563 is at 1.899113 -2.355710 -1.721064 ESP Fit Center 6564 is at 2.203103 -2.639617 -1.721064 ESP Fit Center 6565 is at 2.572418 -2.830980 -1.721064 ESP Fit Center 6566 is at 1.956236 -1.802252 -1.989687 ESP Fit Center 6567 is at 2.164619 -2.163183 -1.989687 ESP Fit Center 6568 is at 2.483881 -2.431075 -1.989687 ESP Fit Center 6569 is at 2.875513 -2.573618 -1.989687 ESP Fit Center 6570 is at 2.257300 -1.391817 -2.189293 ESP Fit Center 6571 is at 2.368043 -1.805115 -2.189293 ESP Fit Center 6572 is at 2.670598 -2.107670 -2.189293 ESP Fit Center 6573 is at 3.083896 -2.218413 -2.189293 ESP Fit Center 6574 is at 6.104865 0.913093 2.686953 ESP Fit Center 6575 is at 5.687692 0.801312 2.686953 ESP Fit Center 6576 is at 5.382300 0.495920 2.686953 ESP Fit Center 6577 is at 5.270519 0.078747 2.686953 ESP Fit Center 6578 is at 5.382300 -0.338426 2.686953 ESP Fit Center 6579 is at 6.317718 1.285899 2.524818 ESP Fit Center 6580 is at 5.892011 1.285899 2.524818 ESP Fit Center 6581 is at 5.491977 1.140299 2.524818 ESP Fit Center 6582 is at 5.165867 0.866660 2.524818 ESP Fit Center 6583 is at 4.953014 0.497987 2.524818 ESP Fit Center 6584 is at 4.879090 0.078747 2.524818 ESP Fit Center 6585 is at 6.515616 1.611691 2.303446 ESP Fit Center 6586 is at 6.933230 1.798866 2.028289 ESP Fit Center 6587 is at 7.685750 1.586118 1.706120 ESP Fit Center 6588 is at 7.371910 1.858063 1.706120 ESP Fit Center 6589 is at 7.012275 2.065698 1.706120 ESP Fit Center 6590 is at 7.947751 1.625113 1.344875 ESP Fit Center 6591 is at 7.651230 1.921634 1.344875 ESP Fit Center 6592 is at 7.307723 2.162160 1.344875 ESP Fit Center 6593 is at 8.363224 1.300910 0.953446 ESP Fit Center 6594 is at 8.131261 1.655955 0.953446 ESP Fit Center 6595 is at 7.844024 1.967978 0.953446 ESP Fit Center 6596 is at 7.509347 2.228467 0.953446 ESP Fit Center 6597 is at 8.641103 0.902821 0.541473 ESP Fit Center 6598 is at 8.480964 1.289430 0.541473 ESP Fit Center 6599 is at 8.262318 1.646229 0.541473 ESP Fit Center 6600 is at 7.990548 1.964430 0.541473 ESP Fit Center 6601 is at 7.672346 2.236200 0.541473 ESP Fit Center 6602 is at 7.315548 2.454846 0.541473 ESP Fit Center 6603 is at 8.804865 0.078747 0.119100 ESP Fit Center 6604 is at 8.773222 0.490900 0.119100 ESP Fit Center 6605 is at 8.679035 0.893393 0.119100 ESP Fit Center 6606 is at 8.524512 1.276791 0.119100 ESP Fit Center 6607 is at 8.313274 1.632108 0.119100 ESP Fit Center 6608 is at 8.050273 1.951015 0.119100 ESP Fit Center 6609 is at 7.741673 2.226038 0.119100 ESP Fit Center 6610 is at 7.394708 2.450730 0.119100 ESP Fit Center 6611 is at 8.313274 -1.474613 0.119100 ESP Fit Center 6612 is at 8.773222 -0.333406 0.119100 ESP Fit Center 6613 is at 8.480964 1.289430 -0.303273 ESP Fit Center 6614 is at 8.262318 1.646229 -0.303273 ESP Fit Center 6615 is at 7.990548 1.964430 -0.303273 ESP Fit Center 6616 is at 7.672346 2.236200 -0.303273 ESP Fit Center 6617 is at 7.315548 2.454846 -0.303273 ESP Fit Center 6618 is at 8.262318 -1.488734 -0.303273 ESP Fit Center 6619 is at 8.480964 -1.131936 -0.303273 ESP Fit Center 6620 is at 8.641103 -0.745326 -0.303273 ESP Fit Center 6621 is at 7.509347 2.228467 -0.715246 ESP Fit Center 6622 is at 7.136359 2.430318 -0.715246 ESP Fit Center 6623 is at 8.131261 -1.498460 -0.715246 ESP Fit Center 6624 is at 6.927668 2.339382 -1.106674 ESP Fit Center 6625 is at 6.522613 2.447917 -1.106674 ESP Fit Center 6626 is at 6.619844 2.201520 -1.467920 ESP Fit Center 6627 is at 6.208800 2.260619 -1.467920 ESP Fit Center 6628 is at 5.794000 2.240860 -1.467920 ESP Fit Center 6629 is at 6.104865 1.987936 -1.790088 ESP Fit Center 6630 is at 5.680030 1.940068 -1.790088 ESP Fit Center 6631 is at 5.276499 1.798866 -1.790088 ESP Fit Center 6632 is at 5.694114 1.611691 -2.065246 ESP Fit Center 6633 is at 5.311355 1.453147 -2.065246 ESP Fit Center 6634 is at 4.982672 1.200940 -2.065246 ESP Fit Center 6635 is at 5.491977 1.140299 -2.286617 ESP Fit Center 6636 is at 5.165867 0.866660 -2.286617 ESP Fit Center 6637 is at 4.637402 -2.277641 2.335581 ESP Fit Center 6638 is at 4.749183 -2.694814 2.335581 ESP Fit Center 6639 is at 4.245974 -2.277641 2.173446 ESP Fit Center 6640 is at 4.319897 -2.696881 2.173446 ESP Fit Center 6641 is at 4.532750 -3.065554 2.173446 ESP Fit Center 6642 is at 3.938804 -2.688392 1.952075 ESP Fit Center 6643 is at 4.097348 -3.071151 1.952075 ESP Fit Center 6644 is at 4.349555 -3.399834 1.952075 ESP Fit Center 6645 is at 4.678238 -3.652041 1.952075 ESP Fit Center 6646 is at 3.610427 -2.702475 1.676917 ESP Fit Center 6647 is at 3.751629 -3.106007 1.676917 ESP Fit Center 6648 is at 3.979084 -3.468000 1.676917 ESP Fit Center 6649 is at 4.281389 -3.770305 1.676917 ESP Fit Center 6650 is at 4.643382 -3.997760 1.676917 ESP Fit Center 6651 is at 4.757318 -4.341850 1.354749 ESP Fit Center 6652 is at 5.160883 -4.439753 1.354749 ESP Fit Center 6653 is at 5.053999 -4.646810 0.993503 ESP Fit Center 6654 is at 5.471748 -4.683359 0.993503 ESP Fit Center 6655 is at 5.259696 -4.836723 0.602075 ESP Fit Center 6656 is at 5.683800 -4.836723 0.602075 ESP Fit Center 6657 is at 8.105674 -1.860468 0.190102 ESP Fit Center 6658 is at 5.471748 -4.944400 0.190102 ESP Fit Center 6659 is at 5.888921 -4.911567 0.190102 ESP Fit Center 6660 is at 6.295822 -4.813879 0.190102 ESP Fit Center 6661 is at 6.682431 -4.653740 0.190102 ESP Fit Center 6662 is at 8.171748 -2.277641 -0.232271 ESP Fit Center 6663 is at 8.140105 -1.865488 -0.232271 ESP Fit Center 6664 is at 5.575165 -4.975660 -0.232271 ESP Fit Center 6665 is at 5.985804 -4.928253 -0.232271 ESP Fit Center 6666 is at 6.384394 -4.818719 -0.232271 ESP Fit Center 6667 is at 6.761591 -4.649624 -0.232271 ESP Fit Center 6668 is at 7.108557 -4.424932 -0.232271 ESP Fit Center 6669 is at 7.417156 -4.149909 -0.232271 ESP Fit Center 6670 is at 7.680157 -3.831001 -0.232271 ESP Fit Center 6671 is at 7.891395 -3.475685 -0.232271 ESP Fit Center 6672 is at 8.045918 -3.092287 -0.232271 ESP Fit Center 6673 is at 8.140105 -2.689794 -0.232271 ESP Fit Center 6674 is at 5.471748 -4.944400 -0.654644 ESP Fit Center 6675 is at 5.888921 -4.911567 -0.654644 ESP Fit Center 6676 is at 6.295822 -4.813879 -0.654644 ESP Fit Center 6677 is at 6.682431 -4.653740 -0.654644 ESP Fit Center 6678 is at 7.039229 -4.435094 -0.654644 ESP Fit Center 6679 is at 7.357431 -4.163324 -0.654644 ESP Fit Center 6680 is at 7.629201 -3.845122 -0.654644 ESP Fit Center 6681 is at 5.683800 -4.836723 -1.066617 ESP Fit Center 6682 is at 6.102119 -4.766918 -1.066617 ESP Fit Center 6683 is at 6.503243 -4.629212 -1.066617 ESP Fit Center 6684 is at 6.876230 -4.427361 -1.066617 ESP Fit Center 6685 is at 5.471748 -4.683359 -1.458046 ESP Fit Center 6686 is at 5.889496 -4.646810 -1.458046 ESP Fit Center 6687 is at 6.294552 -4.538276 -1.458046 ESP Fit Center 6688 is at 5.160883 -4.439753 -1.819291 ESP Fit Center 6689 is at 5.575683 -4.459513 -1.819291 ESP Fit Center 6690 is at 5.046914 -4.138962 -2.141460 ESP Fit Center 6691 is at 5.471748 -4.186829 -2.141460 ESP Fit Center 6692 is at 3.884728 -2.277641 -2.416617 ESP Fit Center 6693 is at 3.938804 -2.688392 -2.416617 ESP Fit Center 6694 is at 4.678238 -3.652041 -2.416617 ESP Fit Center 6695 is at 5.060997 -3.810585 -2.416617 ESP Fit Center 6696 is at 4.532750 -1.489728 -2.637989 ESP Fit Center 6697 is at 4.319897 -1.858402 -2.637989 ESP Fit Center 6698 is at 4.245974 -2.277641 -2.637989 ESP Fit Center 6699 is at 4.319897 -2.696881 -2.637989 ESP Fit Center 6700 is at 4.532750 -3.065554 -2.637989 ESP Fit Center 6701 is at 4.858861 -3.339193 -2.637989 ESP Fit Center 6702 is at 4.749183 -1.860468 -2.800124 ESP Fit Center 6703 is at 4.637402 -2.277641 -2.800124 ESP Fit Center 6704 is at 4.749183 -2.694814 -2.800124 ESP Fit Center 6705 is at 6.752517 -0.211912 3.098841 ESP Fit Center 6706 is at 7.173912 -0.211912 3.057337 ESP Fit Center 6707 is at 6.963214 0.153027 3.057337 ESP Fit Center 6708 is at 6.541819 0.153027 3.057337 ESP Fit Center 6709 is at 6.331122 -0.211912 3.057337 ESP Fit Center 6710 is at 6.541819 -0.576850 3.057337 ESP Fit Center 6711 is at 6.963214 -0.576850 3.057337 ESP Fit Center 6712 is at 7.579113 -0.211912 2.934421 ESP Fit Center 6713 is at 7.468370 0.201387 2.934421 ESP Fit Center 6714 is at 7.165815 0.503942 2.934421 ESP Fit Center 6715 is at 6.752517 0.614685 2.934421 ESP Fit Center 6716 is at 6.339219 0.503942 2.934421 ESP Fit Center 6717 is at 6.036664 0.201387 2.934421 ESP Fit Center 6718 is at 5.925921 -0.211912 2.934421 ESP Fit Center 6719 is at 6.036664 -0.625210 2.934421 ESP Fit Center 6720 is at 6.339219 -0.927765 2.934421 ESP Fit Center 6721 is at 6.752517 -1.038508 2.934421 ESP Fit Center 6722 is at 7.165815 -0.927765 2.934421 ESP Fit Center 6723 is at 7.468370 -0.625210 2.934421 ESP Fit Center 6724 is at 7.952549 -0.211912 2.734815 ESP Fit Center 6725 is at 7.880178 0.198523 2.734815 ESP Fit Center 6726 is at 7.671795 0.559454 2.734815 ESP Fit Center 6727 is at 7.352533 0.827346 2.734815 ESP Fit Center 6728 is at 6.960900 0.969889 2.734815 ESP Fit Center 6729 is at 6.544134 0.969889 2.734815 ESP Fit Center 6730 is at 6.152501 0.827346 2.734815 ESP Fit Center 6731 is at 5.624856 -0.622347 2.734815 ESP Fit Center 6732 is at 5.833239 -0.983277 2.734815 ESP Fit Center 6733 is at 6.152501 -1.251169 2.734815 ESP Fit Center 6734 is at 6.544134 -1.393712 2.734815 ESP Fit Center 6735 is at 6.960900 -1.393712 2.734815 ESP Fit Center 6736 is at 7.352533 -1.251169 2.734815 ESP Fit Center 6737 is at 7.671795 -0.983277 2.734815 ESP Fit Center 6738 is at 7.880178 -0.622347 2.734815 ESP Fit Center 6739 is at 8.279868 -0.211912 2.466192 ESP Fit Center 6740 is at 8.223229 0.200163 2.466192 ESP Fit Center 6741 is at 8.057515 0.581675 2.466192 ESP Fit Center 6742 is at 7.795015 0.904331 2.466192 ESP Fit Center 6743 is at 7.455198 1.144201 2.466192 ESP Fit Center 6744 is at 7.063266 1.283493 2.466192 ESP Fit Center 6745 is at 6.648287 1.311878 2.466192 ESP Fit Center 6746 is at 7.063266 -1.707316 2.466192 ESP Fit Center 6747 is at 7.455198 -1.568024 2.466192 ESP Fit Center 6748 is at 7.795015 -1.328154 2.466192 ESP Fit Center 6749 is at 8.057515 -1.005498 2.466192 ESP Fit Center 6750 is at 8.223229 -0.623986 2.466192 ESP Fit Center 6751 is at 8.548491 -0.211912 2.138873 ESP Fit Center 6752 is at 8.500081 0.202269 2.138873 ESP Fit Center 6753 is at 8.357458 0.594120 2.138873 ESP Fit Center 6754 is at 8.128313 0.942519 2.138873 ESP Fit Center 6755 is at 7.824998 1.228681 2.138873 ESP Fit Center 6756 is at 7.463866 1.437181 2.138873 ESP Fit Center 6757 is at 7.463866 -1.861004 2.138873 ESP Fit Center 6758 is at 7.824998 -1.652504 2.138873 ESP Fit Center 6759 is at 8.128313 -1.366342 2.138873 ESP Fit Center 6760 is at 8.357458 -1.017943 2.138873 ESP Fit Center 6761 is at 8.500081 -0.626092 2.138873 ESP Fit Center 6762 is at 8.748097 -0.211912 1.765437 ESP Fit Center 6763 is at 8.704488 0.202993 1.765437 ESP Fit Center 6764 is at 8.575570 0.599764 1.765437 ESP Fit Center 6765 is at 8.366975 0.961061 1.765437 ESP Fit Center 6766 is at 8.087820 1.271093 1.765437 ESP Fit Center 6767 is at 7.750307 1.516311 1.765437 ESP Fit Center 6768 is at 8.087820 -1.694916 1.765437 ESP Fit Center 6769 is at 8.366975 -1.384884 1.765437 ESP Fit Center 6770 is at 8.575570 -1.023587 1.765437 ESP Fit Center 6771 is at 8.704488 -0.626816 1.765437 ESP Fit Center 6772 is at 8.871013 -0.211912 1.360236 ESP Fit Center 6773 is at 8.830307 0.201387 1.360236 ESP Fit Center 6774 is at 8.709752 0.598802 1.360236 ESP Fit Center 6775 is at 8.513982 0.965062 1.360236 ESP Fit Center 6776 is at 8.250520 1.286091 1.360236 ESP Fit Center 6777 is at 8.250520 -1.709915 1.360236 ESP Fit Center 6778 is at 8.513982 -1.388885 1.360236 ESP Fit Center 6779 is at 8.709752 -1.022625 1.360236 ESP Fit Center 6780 is at 8.830307 -0.625210 1.360236 ESP Fit Center 6781 is at 8.912517 -0.211912 0.938841 ESP Fit Center 6782 is at 8.873483 0.196871 0.938841 ESP Fit Center 6783 is at 8.757792 0.590879 0.938841 ESP Fit Center 6784 is at 8.569625 0.955873 0.938841 ESP Fit Center 6785 is at 8.315782 -1.702482 0.938841 ESP Fit Center 6786 is at 8.569625 -1.379696 0.938841 ESP Fit Center 6787 is at 8.757792 -1.014702 0.938841 ESP Fit Center 6788 is at 8.873483 -0.620694 0.938841 ESP Fit Center 6789 is at 8.871013 -0.211912 0.517446 ESP Fit Center 6790 is at 8.830307 0.201387 0.517446 ESP Fit Center 6791 is at 8.250520 -1.709915 0.517446 ESP Fit Center 6792 is at 8.513982 -1.388885 0.517446 ESP Fit Center 6793 is at 8.709752 -1.022625 0.517446 ESP Fit Center 6794 is at 8.830307 -0.625210 0.517446 ESP Fit Center 6795 is at 8.575570 -1.023587 0.112245 ESP Fit Center 6796 is at 5.458976 1.405370 2.446295 ESP Fit Center 6797 is at 6.082972 1.756285 2.323379 ESP Fit Center 6798 is at 5.669674 1.867027 2.323379 ESP Fit Center 6799 is at 5.256375 1.756285 2.323379 ESP Fit Center 6800 is at 4.953820 1.453729 2.323379 ESP Fit Center 6801 is at 4.843077 1.040431 2.323379 ESP Fit Center 6802 is at 6.269689 2.079689 2.123773 ESP Fit Center 6803 is at 5.878057 2.222232 2.123773 ESP Fit Center 6804 is at 5.461290 2.222232 2.123773 ESP Fit Center 6805 is at 5.069658 2.079689 2.123773 ESP Fit Center 6806 is at 4.750396 1.811797 2.123773 ESP Fit Center 6807 is at 6.712172 2.156674 1.855150 ESP Fit Center 6808 is at 6.372354 2.396543 1.855150 ESP Fit Center 6809 is at 5.980422 2.535836 1.855150 ESP Fit Center 6810 is at 5.565443 2.564221 1.855150 ESP Fit Center 6811 is at 5.158195 2.479594 1.855150 ESP Fit Center 6812 is at 4.788880 2.288231 1.855150 ESP Fit Center 6813 is at 7.045470 2.194861 1.527831 ESP Fit Center 6814 is at 6.742155 2.481024 1.527831 ESP Fit Center 6815 is at 6.381023 2.689524 1.527831 ESP Fit Center 6816 is at 5.981541 2.809121 1.527831 ESP Fit Center 6817 is at 5.565247 2.833367 1.527831 ESP Fit Center 6818 is at 5.154582 2.760956 1.527831 ESP Fit Center 6819 is at 4.771686 2.595791 1.527831 ESP Fit Center 6820 is at 7.004977 2.523436 1.154395 ESP Fit Center 6821 is at 6.667463 2.768654 1.154395 ESP Fit Center 6822 is at 6.286342 2.938340 1.154395 ESP Fit Center 6823 is at 5.878268 3.025079 1.154395 ESP Fit Center 6824 is at 5.461079 3.025079 1.154395 ESP Fit Center 6825 is at 5.053005 2.938340 1.154395 ESP Fit Center 6826 is at 4.671884 2.768654 1.154395 ESP Fit Center 6827 is at 7.167677 2.538434 0.749194 ESP Fit Center 6828 is at 6.846647 2.801896 0.749194 ESP Fit Center 6829 is at 6.480387 2.997667 0.749194 ESP Fit Center 6830 is at 6.082972 3.118221 0.749194 ESP Fit Center 6831 is at 5.669674 3.158927 0.749194 ESP Fit Center 6832 is at 5.256375 3.118221 0.749194 ESP Fit Center 6833 is at 4.858960 2.997667 0.749194 ESP Fit Center 6834 is at 7.232939 2.531002 0.327799 ESP Fit Center 6835 is at 6.922596 2.799915 0.327799 ESP Fit Center 6836 is at 6.566970 3.005236 0.327799 ESP Fit Center 6837 is at 6.178913 3.139544 0.327799 ESP Fit Center 6838 is at 5.772450 3.197985 0.327799 ESP Fit Center 6839 is at 5.362273 3.178446 0.327799 ESP Fit Center 6840 is at 4.963207 3.081633 0.327799 ESP Fit Center 6841 is at 6.846647 2.801896 -0.093596 ESP Fit Center 6842 is at 6.480387 2.997667 -0.093596 ESP Fit Center 6843 is at 6.082972 3.118221 -0.093596 ESP Fit Center 6844 is at 5.669674 3.158927 -0.093596 ESP Fit Center 6845 is at 5.256375 3.118221 -0.093596 ESP Fit Center 6846 is at 4.858960 2.997667 -0.093596 ESP Fit Center 6847 is at 6.667463 2.768654 -0.498797 ESP Fit Center 6848 is at 6.286342 2.938340 -0.498797 ESP Fit Center 6849 is at 5.878268 3.025079 -0.498797 ESP Fit Center 6850 is at 5.461079 3.025079 -0.498797 ESP Fit Center 6851 is at 5.053005 2.938340 -0.498797 ESP Fit Center 6852 is at 6.381023 2.689524 -0.872233 ESP Fit Center 6853 is at 5.981541 2.809121 -0.872233 ESP Fit Center 6854 is at 5.565247 2.833367 -0.872233 ESP Fit Center 6855 is at 5.154582 2.760956 -0.872233 ESP Fit Center 6856 is at 5.980422 2.535836 -1.199552 ESP Fit Center 6857 is at 5.565443 2.564221 -1.199552 ESP Fit Center 6858 is at 5.158195 2.479594 -1.199552 ESP Fit Center 6859 is at 5.461290 2.222232 -1.468175 ESP Fit Center 6860 is at 5.069658 2.079689 -1.468175 ESP Fit Center 6861 is at 8.817408 0.141003 -0.365532 ESP Fit Center 6862 is at 8.776702 0.554301 -0.365532 ESP Fit Center 6863 is at 8.656147 0.951717 -0.365532 ESP Fit Center 6864 is at 8.460377 1.317977 -0.365532 ESP Fit Center 6865 is at 8.656147 -0.669710 -0.365532 ESP Fit Center 6866 is at 8.776702 -0.272295 -0.365532 ESP Fit Center 6867 is at 8.858912 0.141003 -0.786927 ESP Fit Center 6868 is at 8.819878 0.549786 -0.786927 ESP Fit Center 6869 is at 8.704186 0.943794 -0.786927 ESP Fit Center 6870 is at 8.516019 1.308788 -0.786927 ESP Fit Center 6871 is at 8.262177 1.631574 -0.786927 ESP Fit Center 6872 is at 7.951835 1.900487 -0.786927 ESP Fit Center 6873 is at 8.262177 -1.349567 -0.786927 ESP Fit Center 6874 is at 8.516019 -1.026781 -0.786927 ESP Fit Center 6875 is at 8.704186 -0.661788 -0.786927 ESP Fit Center 6876 is at 8.819878 -0.267779 -0.786927 ESP Fit Center 6877 is at 8.817408 0.141003 -1.208322 ESP Fit Center 6878 is at 8.776702 0.554301 -1.208322 ESP Fit Center 6879 is at 8.656147 0.951717 -1.208322 ESP Fit Center 6880 is at 8.460377 1.317977 -1.208322 ESP Fit Center 6881 is at 8.196915 1.639006 -1.208322 ESP Fit Center 6882 is at 7.875885 1.902469 -1.208322 ESP Fit Center 6883 is at 7.509625 2.098239 -1.208322 ESP Fit Center 6884 is at 7.112210 2.218793 -1.208322 ESP Fit Center 6885 is at 8.196915 -1.357000 -1.208322 ESP Fit Center 6886 is at 8.460377 -1.035970 -1.208322 ESP Fit Center 6887 is at 8.656147 -0.669710 -1.208322 ESP Fit Center 6888 is at 8.776702 -0.272295 -1.208322 ESP Fit Center 6889 is at 8.694491 0.141003 -1.613523 ESP Fit Center 6890 is at 8.650883 0.555908 -1.613523 ESP Fit Center 6891 is at 8.521964 0.952679 -1.613523 ESP Fit Center 6892 is at 8.313370 1.313976 -1.613523 ESP Fit Center 6893 is at 8.034215 1.624008 -1.613523 ESP Fit Center 6894 is at 7.696702 1.869226 -1.613523 ESP Fit Center 6895 is at 7.315580 2.038913 -1.613523 ESP Fit Center 6896 is at 6.907507 2.125651 -1.613523 ESP Fit Center 6897 is at 6.490317 2.125651 -1.613523 ESP Fit Center 6898 is at 8.034215 -1.342001 -1.613523 ESP Fit Center 6899 is at 8.313370 -1.031969 -1.613523 ESP Fit Center 6900 is at 8.521964 -0.670672 -1.613523 ESP Fit Center 6901 is at 8.650883 -0.273901 -1.613523 ESP Fit Center 6902 is at 8.494886 0.141003 -1.986959 ESP Fit Center 6903 is at 8.446475 0.555184 -1.986959 ESP Fit Center 6904 is at 8.303853 0.947035 -1.986959 ESP Fit Center 6905 is at 8.074708 1.295433 -1.986959 ESP Fit Center 6906 is at 7.771393 1.581596 -1.986959 ESP Fit Center 6907 is at 7.410261 1.790096 -1.986959 ESP Fit Center 6908 is at 7.010779 1.909693 -1.986959 ESP Fit Center 6909 is at 6.594485 1.933939 -1.986959 ESP Fit Center 6910 is at 6.183820 1.861528 -1.986959 ESP Fit Center 6911 is at 7.771393 -1.299589 -1.986959 ESP Fit Center 6912 is at 8.074708 -1.013427 -1.986959 ESP Fit Center 6913 is at 8.303853 -0.665028 -1.986959 ESP Fit Center 6914 is at 8.446475 -0.273177 -1.986959 ESP Fit Center 6915 is at 8.226262 0.141003 -2.314278 ESP Fit Center 6916 is at 8.169624 0.553078 -2.314278 ESP Fit Center 6917 is at 8.003910 0.934590 -2.314278 ESP Fit Center 6918 is at 7.741410 1.257246 -2.314278 ESP Fit Center 6919 is at 7.401592 1.497115 -2.314278 ESP Fit Center 6920 is at 7.009660 1.636408 -2.314278 ESP Fit Center 6921 is at 6.594682 1.664793 -2.314278 ESP Fit Center 6922 is at 6.187433 1.580166 -2.314278 ESP Fit Center 6923 is at 5.818119 1.388803 -2.314278 ESP Fit Center 6924 is at 5.514128 1.104896 -2.314278 ESP Fit Center 6925 is at 7.741410 -0.975239 -2.314278 ESP Fit Center 6926 is at 8.003910 -0.652584 -2.314278 ESP Fit Center 6927 is at 8.169624 -0.271071 -2.314278 ESP Fit Center 6928 is at 7.898943 0.141003 -2.582902 ESP Fit Center 6929 is at 7.826573 0.551438 -2.582902 ESP Fit Center 6930 is at 7.618189 0.912369 -2.582902 ESP Fit Center 6931 is at 7.298927 1.180261 -2.582902 ESP Fit Center 6932 is at 6.907295 1.322804 -2.582902 ESP Fit Center 6933 is at 6.490528 1.322804 -2.582902 ESP Fit Center 6934 is at 6.098896 1.180261 -2.582902 ESP Fit Center 6935 is at 5.779634 0.912369 -2.582902 ESP Fit Center 6936 is at 5.571251 0.551438 -2.582902 ESP Fit Center 6937 is at 5.498880 0.141003 -2.582902 ESP Fit Center 6938 is at 7.298927 -0.898255 -2.582902 ESP Fit Center 6939 is at 7.618189 -0.630362 -2.582902 ESP Fit Center 6940 is at 7.826573 -0.269432 -2.582902 ESP Fit Center 6941 is at 7.525508 0.141003 -2.782507 ESP Fit Center 6942 is at 7.414765 0.554301 -2.782507 ESP Fit Center 6943 is at 7.112210 0.856857 -2.782507 ESP Fit Center 6944 is at 6.698912 0.967600 -2.782507 ESP Fit Center 6945 is at 6.285614 0.856857 -2.782507 ESP Fit Center 6946 is at 5.983058 0.554301 -2.782507 ESP Fit Center 6947 is at 5.872315 0.141003 -2.782507 ESP Fit Center 6948 is at 5.983058 -0.272295 -2.782507 ESP Fit Center 6949 is at 6.285614 -0.574850 -2.782507 ESP Fit Center 6950 is at 6.698912 -0.685593 -2.782507 ESP Fit Center 6951 is at 7.112210 -0.574850 -2.782507 ESP Fit Center 6952 is at 7.414765 -0.272295 -2.782507 ESP Fit Center 6953 is at 7.120307 0.141003 -2.905423 ESP Fit Center 6954 is at 6.909609 0.505942 -2.905423 ESP Fit Center 6955 is at 6.488214 0.505942 -2.905423 ESP Fit Center 6956 is at 6.277517 0.141003 -2.905423 ESP Fit Center 6957 is at 6.488214 -0.223936 -2.905423 ESP Fit Center 6958 is at 6.909609 -0.223936 -2.905423 ESP Fit Center 6959 is at 6.698912 0.141003 -2.946927 ESP Fit Center 6960 is at 6.055816 -2.614322 2.777228 ESP Fit Center 6961 is at 6.477211 -2.614322 2.735725 ESP Fit Center 6962 is at 6.266514 -2.249384 2.735725 ESP Fit Center 6963 is at 5.845118 -2.249384 2.735725 ESP Fit Center 6964 is at 5.634421 -2.614322 2.735725 ESP Fit Center 6965 is at 5.845118 -2.979261 2.735725 ESP Fit Center 6966 is at 6.266514 -2.979261 2.735725 ESP Fit Center 6967 is at 6.882412 -2.614322 2.612808 ESP Fit Center 6968 is at 6.771669 -2.201024 2.612808 ESP Fit Center 6969 is at 6.469114 -1.898469 2.612808 ESP Fit Center 6970 is at 6.055816 -1.787726 2.612808 ESP Fit Center 6971 is at 5.642518 -1.898469 2.612808 ESP Fit Center 6972 is at 5.339963 -2.201024 2.612808 ESP Fit Center 6973 is at 5.229220 -2.614322 2.612808 ESP Fit Center 6974 is at 5.339963 -3.027621 2.612808 ESP Fit Center 6975 is at 5.642518 -3.330176 2.612808 ESP Fit Center 6976 is at 6.055816 -3.440919 2.612808 ESP Fit Center 6977 is at 6.469114 -3.330176 2.612808 ESP Fit Center 6978 is at 6.771669 -3.027621 2.612808 ESP Fit Center 6979 is at 7.255848 -2.614322 2.413203 ESP Fit Center 6980 is at 7.183477 -2.203887 2.413203 ESP Fit Center 6981 is at 6.975094 -1.842957 2.413203 ESP Fit Center 6982 is at 4.928155 -2.203887 2.413203 ESP Fit Center 6983 is at 4.855784 -2.614322 2.413203 ESP Fit Center 6984 is at 4.928155 -3.024758 2.413203 ESP Fit Center 6985 is at 5.136538 -3.385688 2.413203 ESP Fit Center 6986 is at 5.455800 -3.653580 2.413203 ESP Fit Center 6987 is at 5.847433 -3.796123 2.413203 ESP Fit Center 6988 is at 6.264199 -3.796123 2.413203 ESP Fit Center 6989 is at 6.655832 -3.653580 2.413203 ESP Fit Center 6990 is at 6.975094 -3.385688 2.413203 ESP Fit Center 6991 is at 7.183477 -3.024758 2.413203 ESP Fit Center 6992 is at 7.583167 -2.614322 2.144579 ESP Fit Center 6993 is at 7.526528 -2.202248 2.144579 ESP Fit Center 6994 is at 4.871033 -3.578215 2.144579 ESP Fit Center 6995 is at 5.175023 -3.862122 2.144579 ESP Fit Center 6996 is at 5.544337 -4.053485 2.144579 ESP Fit Center 6997 is at 5.951586 -4.138113 2.144579 ESP Fit Center 6998 is at 6.366565 -4.109727 2.144579 ESP Fit Center 6999 is at 6.758497 -3.970435 2.144579 ESP Fit Center 7000 is at 7.098314 -3.730565 2.144579 ESP Fit Center 7001 is at 7.360814 -3.407909 2.144579 ESP Fit Center 7002 is at 7.526528 -3.026397 2.144579 ESP Fit Center 7003 is at 7.851790 -2.614322 1.817260 ESP Fit Center 7004 is at 7.803380 -2.200142 1.817260 ESP Fit Center 7005 is at 4.823344 -3.920667 1.817260 ESP Fit Center 7006 is at 5.157829 -4.169682 1.817260 ESP Fit Center 7007 is at 5.540725 -4.334847 1.817260 ESP Fit Center 7008 is at 5.951389 -4.407258 1.817260 ESP Fit Center 7009 is at 6.367684 -4.383012 1.817260 ESP Fit Center 7010 is at 6.767165 -4.263415 1.817260 ESP Fit Center 7011 is at 7.128298 -4.054915 1.817260 ESP Fit Center 7012 is at 7.431612 -3.768753 1.817260 ESP Fit Center 7013 is at 7.660757 -3.420354 1.817260 ESP Fit Center 7014 is at 7.803380 -3.028503 1.817260 ESP Fit Center 7015 is at 8.051396 -2.614322 1.443825 ESP Fit Center 7016 is at 8.007788 -2.199418 1.443825 ESP Fit Center 7017 is at 5.439148 -4.512232 1.443825 ESP Fit Center 7018 is at 5.847221 -4.598970 1.443825 ESP Fit Center 7019 is at 6.264411 -4.598970 1.443825 ESP Fit Center 7020 is at 6.672484 -4.512232 1.443825 ESP Fit Center 7021 is at 7.053606 -4.342545 1.443825 ESP Fit Center 7022 is at 7.391120 -4.097327 1.443825 ESP Fit Center 7023 is at 7.670274 -3.787295 1.443825 ESP Fit Center 7024 is at 7.878869 -3.425998 1.443825 ESP Fit Center 7025 is at 8.007788 -3.029227 1.443825 ESP Fit Center 7026 is at 8.174312 -2.614322 1.038623 ESP Fit Center 7027 is at 8.133606 -2.201024 1.038623 ESP Fit Center 7028 is at 5.642518 -4.692112 1.038623 ESP Fit Center 7029 is at 6.055816 -4.732819 1.038623 ESP Fit Center 7030 is at 6.469114 -4.692112 1.038623 ESP Fit Center 7031 is at 6.866529 -4.571558 1.038623 ESP Fit Center 7032 is at 7.232789 -4.375788 1.038623 ESP Fit Center 7033 is at 7.553819 -4.112326 1.038623 ESP Fit Center 7034 is at 7.817281 -3.791296 1.038623 ESP Fit Center 7035 is at 8.013051 -3.425036 1.038623 ESP Fit Center 7036 is at 8.133606 -3.027621 1.038623 ESP Fit Center 7037 is at 8.215816 -2.614322 0.617228 ESP Fit Center 7038 is at 8.176782 -2.205540 0.617228 ESP Fit Center 7039 is at 6.158593 -4.771876 0.617228 ESP Fit Center 7040 is at 6.565055 -4.713435 0.617228 ESP Fit Center 7041 is at 6.953112 -4.579128 0.617228 ESP Fit Center 7042 is at 7.308739 -4.373807 0.617228 ESP Fit Center 7043 is at 7.619082 -4.104893 0.617228 ESP Fit Center 7044 is at 7.872924 -3.782107 0.617228 ESP Fit Center 7045 is at 8.061091 -3.417113 0.617228 ESP Fit Center 7046 is at 8.176782 -3.023105 0.617228 ESP Fit Center 7047 is at 8.174312 -2.614322 0.195833 ESP Fit Center 7048 is at 6.866529 -4.571558 0.195833 ESP Fit Center 7049 is at 7.232789 -4.375788 0.195833 ESP Fit Center 7050 is at 7.553819 -4.112326 0.195833 ESP Fit Center 7051 is at 7.817281 -3.791296 0.195833 ESP Fit Center 7052 is at 8.013051 -3.425036 0.195833 ESP Fit Center 7053 is at 8.133606 -3.027621 0.195833 ESP Fit Center 7054 is at 8.199538 -2.367341 -0.704135 ESP Fit Center 7055 is at 8.158832 -1.954043 -0.704135 ESP Fit Center 7056 is at 7.842507 -3.544315 -0.704135 ESP Fit Center 7057 is at 8.038277 -3.178055 -0.704135 ESP Fit Center 7058 is at 8.158832 -2.780640 -0.704135 ESP Fit Center 7059 is at 8.241042 -2.367341 -1.125530 ESP Fit Center 7060 is at 8.202008 -1.958559 -1.125530 ESP Fit Center 7061 is at 8.086317 -1.564551 -1.125530 ESP Fit Center 7062 is at 7.333965 -4.126826 -1.125530 ESP Fit Center 7063 is at 7.644307 -3.857912 -1.125530 ESP Fit Center 7064 is at 7.898150 -3.535126 -1.125530 ESP Fit Center 7065 is at 8.086317 -3.170132 -1.125530 ESP Fit Center 7066 is at 8.202008 -2.776124 -1.125530 ESP Fit Center 7067 is at 8.199538 -2.367341 -1.546925 ESP Fit Center 7068 is at 8.158832 -1.954043 -1.546925 ESP Fit Center 7069 is at 8.038277 -1.556628 -1.546925 ESP Fit Center 7070 is at 6.494340 -4.445131 -1.546925 ESP Fit Center 7071 is at 6.891755 -4.324577 -1.546925 ESP Fit Center 7072 is at 7.258015 -4.128807 -1.546925 ESP Fit Center 7073 is at 7.579045 -3.865345 -1.546925 ESP Fit Center 7074 is at 7.842507 -3.544315 -1.546925 ESP Fit Center 7075 is at 8.038277 -3.178055 -1.546925 ESP Fit Center 7076 is at 8.158832 -2.780640 -1.546925 ESP Fit Center 7077 is at 8.076622 -2.367341 -1.952126 ESP Fit Center 7078 is at 8.033013 -1.952437 -1.952126 ESP Fit Center 7079 is at 7.904095 -1.555666 -1.952126 ESP Fit Center 7080 is at 5.872447 -4.351989 -1.952126 ESP Fit Center 7081 is at 6.289637 -4.351989 -1.952126 ESP Fit Center 7082 is at 6.697710 -4.265251 -1.952126 ESP Fit Center 7083 is at 7.078832 -4.095564 -1.952126 ESP Fit Center 7084 is at 7.416345 -3.850346 -1.952126 ESP Fit Center 7085 is at 7.695500 -3.540314 -1.952126 ESP Fit Center 7086 is at 7.904095 -3.179017 -1.952126 ESP Fit Center 7087 is at 8.033013 -2.782246 -1.952126 ESP Fit Center 7088 is at 7.877016 -2.367341 -2.325561 ESP Fit Center 7089 is at 7.828606 -1.953161 -2.325561 ESP Fit Center 7090 is at 7.685983 -1.561310 -2.325561 ESP Fit Center 7091 is at 7.456838 -1.212911 -2.325561 ESP Fit Center 7092 is at 5.565951 -4.087866 -2.325561 ESP Fit Center 7093 is at 5.976615 -4.160277 -2.325561 ESP Fit Center 7094 is at 6.392910 -4.136031 -2.325561 ESP Fit Center 7095 is at 6.792391 -4.016434 -2.325561 ESP Fit Center 7096 is at 7.153523 -3.807934 -2.325561 ESP Fit Center 7097 is at 7.456838 -3.521772 -2.325561 ESP Fit Center 7098 is at 7.685983 -3.173373 -2.325561 ESP Fit Center 7099 is at 7.828606 -2.781522 -2.325561 ESP Fit Center 7100 is at 7.608393 -2.367341 -2.652880 ESP Fit Center 7101 is at 7.551754 -1.955267 -2.652880 ESP Fit Center 7102 is at 7.386040 -1.573755 -2.652880 ESP Fit Center 7103 is at 7.123540 -1.251099 -2.652880 ESP Fit Center 7104 is at 6.783723 -1.011229 -2.652880 ESP Fit Center 7105 is at 5.976812 -0.843551 -2.652880 ESP Fit Center 7106 is at 4.896259 -3.331234 -2.652880 ESP Fit Center 7107 is at 5.200249 -3.615141 -2.652880 ESP Fit Center 7108 is at 5.569563 -3.806504 -2.652880 ESP Fit Center 7109 is at 5.976812 -3.891132 -2.652880 ESP Fit Center 7110 is at 6.391791 -3.862746 -2.652880 ESP Fit Center 7111 is at 6.783723 -3.723454 -2.652880 ESP Fit Center 7112 is at 7.123540 -3.483584 -2.652880 ESP Fit Center 7113 is at 7.386040 -3.160928 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ESP Fit Center 7132 is at 7.208703 -2.777776 -2.921504 ESP Fit Center 7133 is at 6.907638 -2.367341 -3.121110 ESP Fit Center 7134 is at 6.796895 -1.954043 -3.121110 ESP Fit Center 7135 is at 6.494340 -1.651488 -3.121110 ESP Fit Center 7136 is at 6.081042 -1.540745 -3.121110 ESP Fit Center 7137 is at 5.667744 -1.651488 -3.121110 ESP Fit Center 7138 is at 5.365189 -1.954043 -3.121110 ESP Fit Center 7139 is at 5.254446 -2.367341 -3.121110 ESP Fit Center 7140 is at 5.365189 -2.780640 -3.121110 ESP Fit Center 7141 is at 5.667744 -3.083195 -3.121110 ESP Fit Center 7142 is at 6.081042 -3.193938 -3.121110 ESP Fit Center 7143 is at 6.494340 -3.083195 -3.121110 ESP Fit Center 7144 is at 6.796895 -2.780640 -3.121110 ESP Fit Center 7145 is at 6.502437 -2.367341 -3.244026 ESP Fit Center 7146 is at 6.291739 -2.002403 -3.244026 ESP Fit Center 7147 is at 5.870344 -2.002403 -3.244026 ESP Fit Center 7148 is at 5.659647 -2.367341 -3.244026 ESP Fit Center 7149 is at 5.870344 -2.732280 -3.244026 ESP Fit Center 7150 is at 6.291739 -2.732280 -3.244026 ESP Fit Center 7151 is at 6.081042 -2.367341 -3.285530 ESP Fit Center 7152 is at 3.410630 -2.922585 1.459718 ESP Fit Center 7153 is at 3.483001 -3.333020 1.459718 ESP Fit Center 7154 is at 3.691384 -3.693950 1.459718 ESP Fit Center 7155 is at 4.010646 -3.961842 1.459718 ESP Fit Center 7156 is at 4.402278 -4.104385 1.459718 ESP Fit Center 7157 is at 3.097537 -3.130559 1.191094 ESP Fit Center 7158 is at 3.209758 -3.531083 1.191094 ESP Fit Center 7159 is at 3.425878 -3.886477 1.191094 ESP Fit Center 7160 is at 3.729868 -4.170384 1.191094 ESP Fit Center 7161 is at 4.099183 -4.361747 1.191094 ESP Fit Center 7162 is at 4.506431 -4.446375 1.191094 ESP Fit Center 7163 is at 2.922998 -3.536844 0.863775 ESP Fit Center 7164 is at 3.110147 -3.909489 0.863775 ESP Fit Center 7165 is at 3.378189 -4.228929 0.863775 ESP Fit Center 7166 is at 3.712674 -4.477944 0.863775 ESP Fit Center 7167 is at 4.095570 -4.643109 0.863775 ESP Fit Center 7168 is at 4.506235 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Center 7187 is at 2.912787 -4.257808 -0.336257 ESP Fit Center 7188 is at 3.196162 -4.555004 -0.336257 ESP Fit Center 7189 is at 3.530662 -4.793199 -0.336257 ESP Fit Center 7190 is at 3.904195 -4.963786 -0.336257 ESP Fit Center 7191 is at 4.303262 -5.060599 -0.336257 ESP Fit Center 7192 is at 4.713438 -5.080138 -0.336257 ESP Fit Center 7193 is at 5.119901 -5.021698 -0.336257 ESP Fit Center 7194 is at 2.653426 -3.733298 -0.757652 ESP Fit Center 7195 is at 2.849196 -4.099558 -0.757652 ESP Fit Center 7196 is at 3.112659 -4.420588 -0.757652 ESP Fit Center 7197 is at 3.433688 -4.684050 -0.757652 ESP Fit Center 7198 is at 3.799948 -4.879820 -0.757652 ESP Fit Center 7199 is at 4.197363 -5.000374 -0.757652 ESP Fit Center 7200 is at 4.610662 -5.041081 -0.757652 ESP Fit Center 7201 is at 5.023960 -5.000374 -0.757652 ESP Fit Center 7202 is at 2.658690 -3.337489 -1.162853 ESP Fit Center 7203 is at 2.787609 -3.734260 -1.162853 ESP Fit Center 7204 is at 2.996204 -4.095557 -1.162853 ESP Fit Center 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3.879808 ESP Fit Center 7260 is at -1.055443 -3.898238 3.879808 ESP Fit Center 7261 is at -3.566728 -3.118767 3.643684 ESP Fit Center 7262 is at -3.394827 -3.490324 3.643684 ESP Fit Center 7263 is at -3.147071 -3.816241 3.643684 ESP Fit Center 7264 is at -2.835046 -4.081279 3.643684 ESP Fit Center 7265 is at -2.473340 -4.273043 3.643684 ESP Fit Center 7266 is at -2.078866 -4.382568 3.643684 ESP Fit Center 7267 is at -1.670071 -4.404732 3.643684 ESP Fit Center 7268 is at -1.266069 -4.338499 3.643684 ESP Fit Center 7269 is at -0.885750 -4.186966 3.643684 ESP Fit Center 7270 is at -0.546897 -3.957219 3.643684 ESP Fit Center 7271 is at -3.721349 -3.518910 3.364209 ESP Fit Center 7272 is at -3.495998 -3.869563 3.364209 ESP Fit Center 7273 is at -3.208358 -4.171232 3.364209 ESP Fit Center 7274 is at -2.868824 -4.413012 3.364209 ESP Fit Center 7275 is at -2.489669 -4.586167 3.364209 ESP Fit Center 7276 is at -0.861770 -4.508620 3.364209 ESP Fit Center 7277 is at -0.500791 -4.300209 3.364209 ESP Fit Center 7278 is at -0.185778 -4.027249 3.364209 ESP Fit Center 7279 is at -3.803173 -3.886693 3.046591 ESP Fit Center 7280 is at -3.542020 -4.210125 3.046591 ESP Fit Center 7281 is at -3.229963 -4.484769 3.046591 ESP Fit Center 7282 is at -0.153316 -4.354075 3.046591 ESP Fit Center 7283 is at 0.134325 -4.053955 3.046591 ESP Fit Center 7284 is at -3.927513 -4.079902 2.696745 ESP Fit Center 7285 is at -3.656059 -4.397734 2.696745 ESP Fit Center 7286 is at -3.338228 -4.669188 2.696745 ESP Fit Center 7287 is at 0.110919 -4.397734 2.696745 ESP Fit Center 7288 is at 0.382372 -4.079902 2.696745 ESP Fit Center 7289 is at 0.600764 -3.723519 2.696745 ESP Fit Center 7290 is at -4.009959 -4.241900 2.321189 ESP Fit Center 7291 is at -3.734567 -4.549256 2.321189 ESP Fit Center 7292 is at 0.332739 -4.400610 2.321189 ESP Fit Center 7293 is at 0.584960 -4.073973 2.321189 ESP Fit Center 7294 is at 0.786935 -3.714092 2.321189 ESP Fit Center 7295 is at 0.934359 -3.328639 2.321189 ESP Fit Center 7296 is at -3.885453 -4.554632 1.926918 ESP Fit Center 7297 is at 0.477495 -4.402274 1.926918 ESP Fit Center 7298 is at 0.718361 -4.070752 1.926918 ESP Fit Center 7299 is at 0.910743 -3.708933 1.926918 ESP Fit Center 7300 is at 1.050898 -3.323861 1.926918 ESP Fit Center 7301 is at 1.136097 -2.923031 1.926918 ESP Fit Center 7302 is at -3.925559 -4.593362 1.521277 ESP Fit Center 7303 is at 0.765643 -4.100297 1.521277 ESP Fit Center 7304 is at 0.961677 -3.731610 1.521277 ESP Fit Center 7305 is at 0.765643 -4.100297 1.111823 ESP Fit Center 7306 is at -3.386621 -4.750471 -0.484043 ESP Fit Center 7307 is at -3.019466 -4.950124 -0.484043 ESP Fit Center 7308 is at -2.626137 -5.091390 -0.484043 ESP Fit Center 7309 is at -2.215854 -5.170960 -0.484043 ESP Fit Center 7310 is at -0.598712 -4.857334 -0.484043 ESP Fit Center 7311 is at -3.298876 -4.877264 -0.897857 ESP Fit Center 7312 is at -2.922886 -5.058331 -0.897857 ESP Fit Center 7313 is at -2.524107 -5.181338 -0.897857 ESP Fit Center 7314 is at 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is at -3.386621 -4.750471 -1.730160 ESP Fit Center 7333 is at -3.019466 -4.950124 -1.730160 ESP Fit Center 7334 is at -2.626137 -5.091390 -1.730160 ESP Fit Center 7335 is at -2.215854 -5.170960 -1.730160 ESP Fit Center 7336 is at -1.798232 -5.186968 -1.730160 ESP Fit Center 7337 is at -1.383062 -5.139038 -1.730160 ESP Fit Center 7338 is at -0.980073 -5.028295 -1.730160 ESP Fit Center 7339 is at -0.598712 -4.857334 -1.730160 ESP Fit Center 7340 is at -0.247918 -4.630162 -1.730160 ESP Fit Center 7341 is at 0.064087 -4.352104 -1.730160 ESP Fit Center 7342 is at 0.329991 -4.029677 -1.730160 ESP Fit Center 7343 is at -3.745827 -4.302209 -2.130056 ESP Fit Center 7344 is at -3.434822 -4.567832 -2.130056 ESP Fit Center 7345 is at -3.086093 -4.781534 -2.130056 ESP Fit Center 7346 is at -2.708227 -4.938051 -2.130056 ESP Fit Center 7347 is at -2.310529 -5.033530 -2.130056 ESP Fit Center 7348 is at -1.902791 -5.065619 -2.130056 ESP Fit Center 7349 is at -1.495053 -5.033530 -2.130056 ESP Fit Center 7350 is at -1.097355 -4.938051 -2.130056 ESP Fit Center 7351 is at -0.719489 -4.781534 -2.130056 ESP Fit Center 7352 is at -0.370760 -4.567832 -2.130056 ESP Fit Center 7353 is at -0.059755 -4.302209 -2.130056 ESP Fit Center 7354 is at 0.205868 -3.991204 -2.130056 ESP Fit Center 7355 is at 0.419570 -3.642475 -2.130056 ESP Fit Center 7356 is at 0.576087 -3.264609 -2.130056 ESP Fit Center 7357 is at 0.522080 -2.459173 -2.507101 ESP Fit Center 7358 is at 0.487201 -2.049368 -2.507101 ESP Fit Center 7359 is at 0.383565 -1.651352 -2.507101 ESP Fit Center 7360 is at -3.653442 -4.137035 -2.507101 ESP Fit Center 7361 is at -3.344700 -4.408762 -2.507101 ESP Fit Center 7362 is at -2.994477 -4.624403 -2.507101 ESP Fit Center 7363 is at -2.612849 -4.777754 -2.507101 ESP Fit Center 7364 is at -2.210793 -4.864404 -2.507101 ESP Fit Center 7365 is at -1.799877 -4.881859 -2.507101 ESP Fit Center 7366 is at -1.391921 -4.829618 -2.507101 ESP Fit Center 7367 is at -0.998662 -4.709184 -2.507101 ESP Fit Center 7368 is at -0.631413 -4.524021 -2.507101 ESP Fit Center 7369 is at -0.300740 -4.279456 -2.507101 ESP Fit Center 7370 is at -0.016155 -3.982525 -2.507101 ESP Fit Center 7371 is at 0.214156 -3.641770 -2.507101 ESP Fit Center 7372 is at 0.383565 -3.266994 -2.507101 ESP Fit Center 7373 is at 0.487201 -2.868978 -2.507101 ESP Fit Center 7374 is at 0.286337 -2.459173 -2.852873 ESP Fit Center 7375 is at 0.246777 -2.044878 -2.852873 ESP Fit Center 7376 is at 0.129525 -1.645556 -2.852873 ESP Fit Center 7377 is at -0.061179 -1.275641 -2.852873 ESP Fit Center 7378 is at -0.318444 -0.948501 -2.852873 ESP Fit Center 7379 is at -3.623562 -3.812402 -2.852873 ESP Fit Center 7380 is at -3.336365 -4.113606 -2.852873 ESP Fit Center 7381 is at -2.997355 -4.355013 -2.852873 ESP Fit Center 7382 is at -2.618785 -4.527901 -2.852873 ESP Fit Center 7383 is at -2.214336 -4.626019 -2.852873 ESP Fit Center 7384 is at -1.798628 -4.645821 -2.852873 ESP Fit Center 7385 is at -1.386685 -4.586593 -2.852873 ESP Fit Center 7386 is at -0.993394 -4.450474 -2.852873 ESP Fit Center 7387 is at -0.632972 -4.242384 -2.852873 ESP Fit Center 7388 is at -0.318444 -3.969844 -2.852873 ESP Fit Center 7389 is at -0.061179 -3.642705 -2.852873 ESP Fit Center 7390 is at 0.129525 -3.272790 -2.852873 ESP Fit Center 7391 is at 0.246777 -2.873468 -2.852873 ESP Fit Center 7392 is at 0.001693 -2.459173 -3.159647 ESP Fit Center 7393 is at -0.042833 -2.049765 -3.159647 ESP Fit Center 7394 is at -0.174328 -1.659501 -3.159647 ESP Fit Center 7395 is at -0.386645 -1.306628 -3.159647 ESP Fit Center 7396 is at -0.669854 -1.007648 -3.159647 ESP Fit Center 7397 is at -3.285438 -3.768885 -3.159647 ESP Fit Center 7398 is at -2.971563 -4.035493 -3.159647 ESP Fit Center 7399 is at -2.607713 -4.228394 -3.159647 ESP Fit Center 7400 is at -2.210902 -4.338568 -3.159647 ESP Fit Center 7401 is at -1.799684 -4.360863 -3.159647 ESP Fit Center 7402 is at -1.393288 -4.294238 -3.159647 ESP Fit Center 7403 is at -1.010715 -4.141807 -3.159647 ESP Fit Center 7404 is at -0.669854 -3.910698 -3.159647 ESP Fit Center 7405 is at -0.386645 -3.611717 -3.159647 ESP Fit Center 7406 is at -0.174328 -3.258845 -3.159647 ESP Fit Center 7407 is at -0.042833 -2.868581 -3.159647 ESP Fit Center 7408 is at -0.325495 -2.459173 -3.420570 ESP Fit Center 7409 is at -0.379240 -2.050939 -3.420570 ESP Fit Center 7410 is at -0.536813 -1.670525 -3.420570 ESP Fit Center 7411 is at -0.787474 -1.343856 -3.420570 ESP Fit Center 7412 is at -3.268770 -3.247821 -3.420570 ESP Fit Center 7413 is at -3.018108 -3.574490 -3.420570 ESP Fit Center 7414 is at -2.691439 -3.825151 -3.420570 ESP Fit Center 7415 is at -2.311025 -3.982724 -3.420570 ESP Fit Center 7416 is at -1.902791 -4.036469 -3.420570 ESP Fit Center 7417 is at -1.494557 -3.982724 -3.420570 ESP Fit Center 7418 is at -1.114143 -3.825151 -3.420570 ESP Fit Center 7419 is at -0.787474 -3.574490 -3.420570 ESP Fit Center 7420 is at -0.536813 -3.247821 -3.420570 ESP Fit Center 7421 is at -0.379240 -2.867407 -3.420570 ESP Fit Center 7422 is at -0.687917 -2.459173 -3.629814 ESP Fit Center 7423 is at -0.761182 -2.043661 -3.629814 ESP Fit Center 7424 is at -0.972143 -1.678267 -3.629814 ESP Fit Center 7425 is at -1.295354 -1.407061 -3.629814 ESP Fit Center 7426 is at -3.044400 -2.874684 -3.629814 ESP Fit Center 7427 is at -2.833439 -3.240079 -3.629814 ESP Fit Center 7428 is at -2.510228 -3.511285 -3.629814 ESP Fit Center 7429 is at -2.113752 -3.655591 -3.629814 ESP Fit Center 7430 is at -1.691830 -3.655591 -3.629814 ESP Fit Center 7431 is at -1.295354 -3.511285 -3.629814 ESP Fit Center 7432 is at -0.972143 -3.240079 -3.629814 ESP Fit Center 7433 is at -0.761182 -2.874684 -3.629814 ESP Fit Center 7434 is at -1.077477 -2.459173 -3.782705 ESP Fit Center 7435 is at -1.188048 -2.046516 -3.782705 ESP Fit Center 7436 is at -1.490134 -1.744430 -3.782705 ESP Fit Center 7437 is at -2.617534 -2.871830 -3.782705 ESP Fit Center 7438 is at -2.315448 -3.173916 -3.782705 ESP Fit Center 7439 is at -1.902791 -3.284487 -3.782705 ESP Fit Center 7440 is at -1.490134 -3.173916 -3.782705 ESP Fit Center 7441 is at -1.188048 -2.871830 -3.782705 ESP Fit Center 7442 is at -1.485473 -2.459173 -3.875828 ESP Fit Center 7443 is at -1.694132 -2.097765 -3.875828 ESP Fit Center 7444 is at -2.111450 -2.097765 -3.875828 ESP Fit Center 7445 is at -2.320109 -2.459173 -3.875828 ESP Fit Center 7446 is at -2.111450 -2.820581 -3.875828 ESP Fit Center 7447 is at -1.694132 -2.820581 -3.875828 ESP Fit Center 7448 is at -1.902791 -2.459173 -3.907101 ESP Fit Center 7449 is at 3.349345 0.639021 3.048648 ESP Fit Center 7450 is at 3.757845 0.639021 3.020706 ESP Fit Center 7451 is at 3.553595 0.992793 3.020706 ESP Fit Center 7452 is at 3.145095 0.992793 3.020706 ESP Fit Center 7453 is at 2.940846 0.639021 3.020706 ESP Fit Center 7454 is at 3.145095 0.285250 3.020706 ESP Fit Center 7455 is at 3.553595 0.285250 3.020706 ESP Fit Center 7456 is at 4.158736 0.639021 2.937400 ESP Fit Center 7457 is at 4.050298 1.043717 2.937400 ESP Fit Center 7458 is at 3.754041 1.339974 2.937400 ESP Fit Center 7459 is at 3.349345 1.448412 2.937400 ESP Fit Center 7460 is at 2.944650 1.339974 2.937400 ESP Fit Center 7461 is at 2.648393 0.234326 2.937400 ESP Fit Center 7462 is at 2.944650 -0.061931 2.937400 ESP Fit Center 7463 is at 3.349345 -0.170369 2.937400 ESP Fit Center 7464 is at 3.754041 -0.061931 2.937400 ESP Fit Center 7465 is at 4.050298 0.234326 2.937400 ESP Fit Center 7466 is at 4.544549 0.639021 2.800282 ESP Fit Center 7467 is at 4.472469 1.047805 2.800282 ESP Fit Center 7468 is at 4.264924 1.407283 2.800282 ESP Fit Center 7469 is at 3.946947 1.674098 2.800282 ESP Fit Center 7470 is at 3.556890 1.816067 2.800282 ESP Fit Center 7471 is at 3.141801 1.816067 2.800282 ESP Fit Center 7472 is at 2.751744 -0.396055 2.800282 ESP Fit Center 7473 is at 4.472469 0.230238 2.800282 ESP Fit Center 7474 is at 4.681173 1.448924 2.611907 ESP Fit Center 7475 is at 4.413276 1.778213 2.611907 ESP Fit Center 7476 is at 4.066473 2.023014 2.611907 ESP Fit Center 7477 is at 3.666483 2.165170 2.611907 ESP Fit Center 7478 is at 3.242972 2.194139 2.611907 ESP Fit Center 7479 is at 4.575018 2.081995 2.375782 ESP Fit Center 7480 is at 4.236166 2.311743 2.375782 ESP Fit Center 7481 is at 3.855847 2.463276 2.375782 ESP Fit Center 7482 is at 4.621125 2.424986 2.096308 ESP Fit Center 7483 is at 4.260146 2.633397 2.096308 ESP Fit Center 7484 is at 3.866249 2.769726 2.096308 ESP Fit Center 7485 is at 4.634375 2.726042 1.778689 ESP Fit Center 7486 is at 4.263183 2.913194 1.778689 ESP Fit Center 7487 is at 4.558620 3.012356 1.428844 ESP Fit Center 7488 is at 4.821931 3.051944 -0.955990 ESP Fit Center 7489 is at 4.915003 2.793964 -1.331547 ESP Fit Center 7490 is at 4.558620 3.012356 -1.331547 ESP Fit Center 7491 is at 4.968600 2.478851 -1.681392 ESP Fit Center 7492 is at 4.634375 2.726042 -1.681392 ESP Fit Center 7493 is at 4.263183 2.913194 -1.681392 ESP Fit Center 7494 is at 4.936138 2.152025 -1.999011 ESP Fit Center 7495 is at 4.621125 2.424986 -1.999011 ESP Fit Center 7496 is at 4.260146 2.633397 -1.999011 ESP Fit Center 7497 is at 3.866249 2.769726 -1.999011 ESP Fit Center 7498 is at 4.856560 1.784776 -2.278485 ESP Fit Center 7499 is at 4.575018 2.081995 -2.278485 ESP Fit Center 7500 is at 4.236166 2.311743 -2.278485 ESP Fit Center 7501 is at 3.855847 2.463276 -2.278485 ESP Fit Center 7502 is at 4.850295 1.059568 -2.514610 ESP Fit Center 7503 is at 4.681173 1.448924 -2.514610 ESP Fit Center 7504 is at 4.413276 1.778213 -2.514610 ESP Fit Center 7505 is at 4.066473 2.023014 -2.514610 ESP Fit Center 7506 is at 3.666483 2.165170 -2.514610 ESP Fit Center 7507 is at 3.242972 2.194139 -2.514610 ESP Fit Center 7508 is at 4.544549 0.639021 -2.702985 ESP Fit Center 7509 is at 4.472469 1.047805 -2.702985 ESP Fit Center 7510 is at 4.264924 1.407283 -2.702985 ESP Fit Center 7511 is at 3.946947 1.674098 -2.702985 ESP Fit Center 7512 is at 3.556890 1.816067 -2.702985 ESP Fit Center 7513 is at 3.141801 1.816067 -2.702985 ESP Fit Center 7514 is at 4.158736 0.639021 -2.840103 ESP Fit Center 7515 is at 4.050298 1.043717 -2.840103 ESP Fit Center 7516 is at 3.754041 1.339974 -2.840103 ESP Fit Center 7517 is at 3.349345 1.448412 -2.840103 ESP Fit Center 7518 is at 2.944650 1.339974 -2.840103 ESP Fit Center 7519 is at 2.648393 0.234326 -2.840103 ESP Fit Center 7520 is at 3.757845 0.639021 -2.923409 ESP Fit Center 7521 is at 3.553595 0.992793 -2.923409 ESP Fit Center 7522 is at 3.145095 0.992793 -2.923409 ESP Fit Center 7523 is at 2.940846 0.639021 -2.923409 ESP Fit Center 7524 is at 3.145095 0.285250 -2.923409 ESP Fit Center 7525 is at 3.349345 0.639021 -2.951352 ESP Fit Center 7526 is at 0.189800 3.864325 2.817100 ESP Fit Center 7527 is at 0.607119 3.864325 2.785826 ESP Fit Center 7528 is at 0.398460 4.225733 2.785826 ESP Fit Center 7529 is at -0.018859 4.225733 2.785826 ESP Fit Center 7530 is at -0.227518 3.864325 2.785826 ESP Fit Center 7531 is at 0.904544 4.276982 2.692704 ESP Fit Center 7532 is at 0.602458 4.579068 2.692704 ESP Fit Center 7533 is at 0.189800 4.689639 2.692704 ESP Fit Center 7534 is at -0.222857 4.579068 2.692704 ESP Fit Center 7535 is at -0.524943 4.276982 2.692704 ESP Fit Center 7536 is at -0.635514 3.864325 2.692704 ESP Fit Center 7537 is at 1.331409 4.279836 2.539813 ESP Fit Center 7538 is at 1.120448 4.645231 2.539813 ESP Fit Center 7539 is at 0.797238 4.916437 2.539813 ESP Fit Center 7540 is at 0.400761 5.060743 2.539813 ESP Fit Center 7541 is at -0.021160 5.060743 2.539813 ESP Fit Center 7542 is at -0.417637 4.916437 2.539813 ESP Fit Center 7543 is at -0.740847 4.645231 2.539813 ESP Fit Center 7544 is at -0.951808 4.279836 2.539813 ESP Fit Center 7545 is at -1.025074 3.864325 2.539813 ESP Fit Center 7546 is at 1.713352 4.272559 2.330569 ESP Fit Center 7547 is at 1.555779 4.652973 2.330569 ESP Fit Center 7548 is at 1.305117 4.979642 2.330569 ESP Fit Center 7549 is at 0.978449 5.230303 2.330569 ESP Fit Center 7550 is at 0.598035 5.387876 2.330569 ESP Fit Center 7551 is at 0.189800 5.441621 2.330569 ESP Fit Center 7552 is at -0.218434 5.387876 2.330569 ESP Fit Center 7553 is at -0.598848 5.230303 2.330569 ESP Fit Center 7554 is at -0.925516 4.979642 2.330569 ESP Fit Center 7555 is at -1.176178 4.652973 2.330569 ESP Fit Center 7556 is at -1.333751 4.272559 2.330569 ESP Fit Center 7557 is at -1.387496 3.864325 2.330569 ESP Fit Center 7558 is at 1.918263 4.663997 2.069645 ESP Fit Center 7559 is at 1.705947 5.016869 2.069645 ESP Fit Center 7560 is at 1.422737 5.315850 2.069645 ESP Fit Center 7561 is at 1.081877 5.546959 2.069645 ESP Fit Center 7562 is at 0.699304 5.699390 2.069645 ESP Fit Center 7563 is at 0.292907 5.766015 2.069645 ESP Fit Center 7564 is at -0.118311 5.743720 2.069645 ESP Fit Center 7565 is at -0.515122 5.633546 2.069645 ESP Fit Center 7566 is at -0.878971 5.440645 2.069645 ESP Fit Center 7567 is at -1.192846 5.174037 2.069645 ESP Fit Center 7568 is at -1.442070 4.846189 2.069645 ESP Fit Center 7569 is at -1.614990 4.472429 2.069645 ESP Fit Center 7570 is at -1.703519 4.070236 2.069645 ESP Fit Center 7571 is at 2.222117 4.677942 1.762871 ESP Fit Center 7572 is at 2.031412 5.047857 1.762871 ESP Fit Center 7573 is at 1.774147 5.374996 1.762871 ESP Fit Center 7574 is at 1.459619 5.647536 1.762871 ESP Fit Center 7575 is at 1.099197 5.855626 1.762871 ESP Fit Center 7576 is at 0.705907 5.991745 1.762871 ESP Fit Center 7577 is at 0.293963 6.050973 1.762871 ESP Fit Center 7578 is at -0.121745 6.031171 1.762871 ESP Fit Center 7579 is at -0.526193 5.933053 1.762871 ESP Fit Center 7580 is at -0.904764 5.760165 1.762871 ESP Fit Center 7581 is at -1.243774 5.518758 1.762871 ESP Fit Center 7582 is at -1.530971 5.217554 1.762871 ESP Fit Center 7583 is at -1.755974 4.867441 1.762871 ESP Fit Center 7584 is at -1.910653 4.481074 1.762871 ESP Fit Center 7585 is at -1.989415 4.072415 1.762871 ESP Fit Center 7586 is at 2.306747 5.046922 1.417100 ESP Fit Center 7587 is at 2.076437 5.387677 1.417100 ESP Fit Center 7588 is at 1.791852 5.684608 1.417100 ESP Fit Center 7589 is at 1.461178 5.929173 1.417100 ESP Fit Center 7590 is at 1.093929 6.114336 1.417100 ESP Fit Center 7591 is at 0.700671 6.234770 1.417100 ESP Fit Center 7592 is at 0.292715 6.287011 1.417100 ESP Fit Center 7593 is at -0.118201 6.269556 1.417100 ESP Fit Center 7594 is at -0.520257 6.182906 1.417100 ESP Fit Center 7595 is at -0.901886 6.029555 1.417100 ESP Fit Center 7596 is at -1.252108 5.813914 1.417100 ESP Fit Center 7597 is at -1.560850 5.542187 1.417100 ESP Fit Center 7598 is at -1.819229 5.222192 1.417100 ESP Fit Center 7599 is at -2.019811 4.863132 1.417100 ESP Fit Center 7600 is at -2.156827 4.475339 1.417100 ESP Fit Center 7601 is at 2.512161 5.047627 1.040055 ESP Fit Center 7602 is at 2.298460 5.396356 1.040055 ESP Fit Center 7603 is at 2.032836 5.707361 1.040055 ESP Fit Center 7604 is at 1.721831 5.972984 1.040055 ESP Fit Center 7605 is at 1.373102 6.186686 1.040055 ESP Fit Center 7606 is at 0.995237 6.343203 1.040055 ESP Fit Center 7607 is at 0.597539 6.438682 1.040055 ESP Fit Center 7608 is at 0.189800 6.470771 1.040055 ESP Fit Center 7609 is at -0.217938 6.438682 1.040055 ESP Fit Center 7610 is at -0.615636 6.343203 1.040055 ESP Fit Center 7611 is at -0.993502 6.186686 1.040055 ESP Fit Center 7612 is at -1.342230 5.972984 1.040055 ESP Fit Center 7613 is at -1.653236 5.707361 1.040055 ESP Fit Center 7614 is at -1.918859 5.396356 1.040055 ESP Fit Center 7615 is at -2.132560 5.047627 1.040055 ESP Fit Center 7616 is at -2.289077 4.669761 1.040055 ESP Fit Center 7617 is at 2.422582 5.434829 0.640159 ESP Fit Center 7618 is at 2.156679 5.757256 0.640159 ESP Fit Center 7619 is at 1.844673 6.035314 0.640159 ESP Fit Center 7620 is at 1.493879 6.262486 0.640159 ESP Fit Center 7621 is at 1.112518 6.433447 0.640159 ESP Fit Center 7622 is at 0.709530 6.544190 0.640159 ESP Fit Center 7623 is at 0.294359 6.592120 0.640159 ESP Fit Center 7624 is at -0.123262 6.576112 0.640159 ESP Fit Center 7625 is at -0.533546 6.496542 0.640159 ESP Fit Center 7626 is at -0.926874 6.355276 0.640159 ESP Fit Center 7627 is at -1.294029 6.155623 0.640159 ESP Fit Center 7628 is at -1.626404 5.902264 0.640159 ESP Fit Center 7629 is at -1.916209 5.601138 0.640159 ESP Fit Center 7630 is at -2.156651 5.259303 0.640159 ESP Fit Center 7631 is at -2.342094 4.884770 0.640159 ESP Fit Center 7632 is at 2.496800 5.437211 0.226344 ESP Fit Center 7633 is at 2.236606 5.763483 0.226344 ESP Fit Center 7634 is at 1.930690 6.047332 0.226344 ESP Fit Center 7635 is at 1.585886 6.282416 0.226344 ESP Fit Center 7636 is at 1.209895 6.463483 0.226344 ESP Fit Center 7637 is at 0.811117 6.586490 0.226344 ESP Fit Center 7638 is at 0.398460 6.648688 0.226344 ESP Fit Center 7639 is at -0.018859 6.648688 0.226344 ESP Fit Center 7640 is at -0.431516 6.586490 0.226344 ESP Fit Center 7641 is at -0.830294 6.463483 0.226344 ESP Fit Center 7642 is at -1.206285 6.282416 0.226344 ESP Fit Center 7643 is at -1.551089 6.047332 0.226344 ESP Fit Center 7644 is at -1.857005 5.763483 0.226344 ESP Fit Center 7645 is at -2.117199 5.437211 0.226344 ESP Fit Center 7646 is at -2.325858 5.075802 0.226344 ESP Fit Center 7647 is at -2.478322 4.687332 0.226344 ESP Fit Center 7648 is at 2.496800 5.437211 -0.192144 ESP Fit Center 7649 is at 2.236606 5.763483 -0.192144 ESP Fit Center 7650 is at 1.930690 6.047332 -0.192144 ESP Fit Center 7651 is at 1.585886 6.282416 -0.192144 ESP Fit Center 7652 is at 1.209895 6.463483 -0.192144 ESP Fit Center 7653 is at 0.811117 6.586490 -0.192144 ESP Fit Center 7654 is at 0.398460 6.648688 -0.192144 ESP Fit Center 7655 is at -0.018859 6.648688 -0.192144 ESP Fit Center 7656 is at -0.431516 6.586490 -0.192144 ESP Fit Center 7657 is at -0.830294 6.463483 -0.192144 ESP Fit Center 7658 is at -1.206285 6.282416 -0.192144 ESP Fit Center 7659 is at -1.551089 6.047332 -0.192144 ESP Fit Center 7660 is at -1.857005 5.763483 -0.192144 ESP Fit Center 7661 is at -2.117199 5.437211 -0.192144 ESP Fit Center 7662 is at -2.325858 5.075802 -0.192144 ESP Fit Center 7663 is at -2.478322 4.687332 -0.192144 ESP Fit Center 7664 is at 2.422582 5.434829 -0.605959 ESP Fit Center 7665 is at 2.156679 5.757256 -0.605959 ESP Fit Center 7666 is at 1.844673 6.035314 -0.605959 ESP Fit Center 7667 is at 1.493879 6.262486 -0.605959 ESP Fit Center 7668 is at 1.112518 6.433447 -0.605959 ESP Fit Center 7669 is at 0.709530 6.544190 -0.605959 ESP Fit Center 7670 is at 0.294359 6.592120 -0.605959 ESP Fit Center 7671 is at -0.123262 6.576112 -0.605959 ESP Fit Center 7672 is at -0.533546 6.496542 -0.605959 ESP Fit Center 7673 is at -0.926874 6.355276 -0.605959 ESP Fit Center 7674 is at -1.294029 6.155623 -0.605959 ESP Fit Center 7675 is at -1.626404 5.902264 -0.605959 ESP Fit Center 7676 is at -1.916209 5.601138 -0.605959 ESP Fit Center 7677 is at -2.156651 5.259303 -0.605959 ESP Fit Center 7678 is at -2.342094 4.884770 -0.605959 ESP Fit Center 7679 is at 2.512161 5.047627 -1.005855 ESP Fit Center 7680 is at 2.298460 5.396356 -1.005855 ESP Fit Center 7681 is at 2.032836 5.707361 -1.005855 ESP Fit Center 7682 is at 1.721831 5.972984 -1.005855 ESP Fit Center 7683 is at 1.373102 6.186686 -1.005855 ESP Fit Center 7684 is at 0.995237 6.343203 -1.005855 ESP Fit Center 7685 is at 0.597539 6.438682 -1.005855 ESP Fit Center 7686 is at 0.189800 6.470771 -1.005855 ESP Fit Center 7687 is at -0.217938 6.438682 -1.005855 ESP Fit Center 7688 is at -0.615636 6.343203 -1.005855 ESP Fit Center 7689 is at -0.993502 6.186686 -1.005855 ESP Fit Center 7690 is at -1.342230 5.972984 -1.005855 ESP Fit Center 7691 is at -1.653236 5.707361 -1.005855 ESP Fit Center 7692 is at -1.918859 5.396356 -1.005855 ESP Fit Center 7693 is at -2.132560 5.047627 -1.005855 ESP Fit Center 7694 is at -2.289077 4.669761 -1.005855 ESP Fit Center 7695 is at 2.306747 5.046922 -1.382900 ESP Fit Center 7696 is at 2.076437 5.387677 -1.382900 ESP Fit Center 7697 is at 1.791852 5.684608 -1.382900 ESP Fit Center 7698 is at 1.461178 5.929173 -1.382900 ESP Fit Center 7699 is at 1.093929 6.114336 -1.382900 ESP Fit Center 7700 is at 0.700671 6.234770 -1.382900 ESP Fit Center 7701 is at 0.292715 6.287011 -1.382900 ESP Fit Center 7702 is at -0.118201 6.269556 -1.382900 ESP Fit Center 7703 is at -0.520257 6.182906 -1.382900 ESP Fit Center 7704 is at -0.901886 6.029555 -1.382900 ESP Fit Center 7705 is at -1.252108 5.813914 -1.382900 ESP Fit Center 7706 is at -1.560850 5.542187 -1.382900 ESP Fit Center 7707 is at -1.819229 5.222192 -1.382900 ESP Fit Center 7708 is at -2.019811 4.863132 -1.382900 ESP Fit Center 7709 is at -2.156827 4.475339 -1.382900 ESP Fit Center 7710 is at 2.222117 4.677942 -1.728671 ESP Fit Center 7711 is at 2.031412 5.047857 -1.728671 ESP Fit Center 7712 is at 1.774147 5.374996 -1.728671 ESP Fit Center 7713 is at 1.459619 5.647536 -1.728671 ESP Fit Center 7714 is at 1.099197 5.855626 -1.728671 ESP Fit Center 7715 is at 0.705907 5.991745 -1.728671 ESP Fit Center 7716 is at 0.293963 6.050973 -1.728671 ESP Fit Center 7717 is at -0.121745 6.031171 -1.728671 ESP Fit Center 7718 is at -0.526193 5.933053 -1.728671 ESP Fit Center 7719 is at -0.904764 5.760165 -1.728671 ESP Fit Center 7720 is at -1.243774 5.518758 -1.728671 ESP Fit Center 7721 is at -1.530971 5.217554 -1.728671 ESP Fit Center 7722 is at -1.755974 4.867441 -1.728671 ESP Fit Center 7723 is at -1.910653 4.481074 -1.728671 ESP Fit Center 7724 is at 1.918263 4.663997 -2.035445 ESP Fit Center 7725 is at 1.705947 5.016869 -2.035445 ESP Fit Center 7726 is at 1.422737 5.315850 -2.035445 ESP Fit Center 7727 is at 1.081877 5.546959 -2.035445 ESP Fit Center 7728 is at 0.699304 5.699390 -2.035445 ESP Fit Center 7729 is at 0.292907 5.766015 -2.035445 ESP Fit Center 7730 is at -0.118311 5.743720 -2.035445 ESP Fit Center 7731 is at -0.515122 5.633546 -2.035445 ESP Fit Center 7732 is at -0.878971 5.440645 -2.035445 ESP Fit Center 7733 is at -1.192846 5.174037 -2.035445 ESP Fit Center 7734 is at -1.442070 4.846189 -2.035445 ESP Fit Center 7735 is at -1.614990 4.472429 -2.035445 ESP Fit Center 7736 is at -1.703519 4.070236 -2.035445 ESP Fit Center 7737 is at 1.713352 4.272559 -2.296369 ESP Fit Center 7738 is at 1.555779 4.652973 -2.296369 ESP Fit Center 7739 is at 1.305117 4.979642 -2.296369 ESP Fit Center 7740 is at 0.978449 5.230303 -2.296369 ESP Fit Center 7741 is at 0.598035 5.387876 -2.296369 ESP Fit Center 7742 is at 0.189800 5.441621 -2.296369 ESP Fit Center 7743 is at -0.218434 5.387876 -2.296369 ESP Fit Center 7744 is at -0.598848 5.230303 -2.296369 ESP Fit Center 7745 is at -0.925516 4.979642 -2.296369 ESP Fit Center 7746 is at -1.176178 4.652973 -2.296369 ESP Fit Center 7747 is at -1.333751 4.272559 -2.296369 ESP Fit Center 7748 is at -1.387496 3.864325 -2.296369 ESP Fit Center 7749 is at 1.331409 4.279836 -2.505613 ESP Fit Center 7750 is at 1.120448 4.645231 -2.505613 ESP Fit Center 7751 is at 0.797238 4.916437 -2.505613 ESP Fit Center 7752 is at 0.400761 5.060743 -2.505613 ESP Fit Center 7753 is at -0.021160 5.060743 -2.505613 ESP Fit Center 7754 is at -0.417637 4.916437 -2.505613 ESP Fit Center 7755 is at -0.740847 4.645231 -2.505613 ESP Fit Center 7756 is at -0.951808 4.279836 -2.505613 ESP Fit Center 7757 is at -1.025074 3.864325 -2.505613 ESP Fit Center 7758 is at 1.015115 3.864325 -2.658504 ESP Fit Center 7759 is at 0.904544 4.276982 -2.658504 ESP Fit Center 7760 is at 0.602458 4.579068 -2.658504 ESP Fit Center 7761 is at 0.189800 4.689639 -2.658504 ESP Fit Center 7762 is at -0.222857 4.579068 -2.658504 ESP Fit Center 7763 is at -0.524943 4.276982 -2.658504 ESP Fit Center 7764 is at -0.635514 3.864325 -2.658504 ESP Fit Center 7765 is at 0.607119 3.864325 -2.751626 ESP Fit Center 7766 is at 0.398460 4.225733 -2.751626 ESP Fit Center 7767 is at -0.018859 4.225733 -2.751626 ESP Fit Center 7768 is at -0.227518 3.864325 -2.751626 ESP Fit Center 7769 is at 0.189800 3.864325 -2.782900 ESP Fit Center 7770 is at 0.350646 2.680789 3.017772 ESP Fit Center 7771 is at 0.759146 2.680789 2.989830 ESP Fit Center 7772 is at 0.554896 3.034560 2.989830 ESP Fit Center 7773 is at 0.146396 3.034560 2.989830 ESP Fit Center 7774 is at -0.057854 2.680789 2.989830 ESP Fit Center 7775 is at 0.146396 2.327017 2.989830 ESP Fit Center 7776 is at 0.554896 2.327017 2.989830 ESP Fit Center 7777 is at 1.051599 3.085484 2.906524 ESP Fit Center 7778 is at 0.755341 3.381741 2.906524 ESP Fit Center 7779 is at 0.350646 3.490179 2.906524 ESP Fit Center 7780 is at -0.054049 3.381741 2.906524 ESP Fit Center 7781 is at -0.350306 3.085484 2.906524 ESP Fit Center 7782 is at -0.458744 2.680789 2.906524 ESP Fit Center 7783 is at 0.350646 1.871398 2.906524 ESP Fit Center 7784 is at 0.755341 1.979836 2.906524 ESP Fit Center 7785 is at 1.266225 3.449051 2.769406 ESP Fit Center 7786 is at 0.948248 3.715865 2.769406 ESP Fit Center 7787 is at -0.564933 3.449051 2.769406 ESP Fit Center 7788 is at -0.772478 3.089572 2.769406 ESP Fit Center 7789 is at 0.558191 1.503743 2.769406 ESP Fit Center 7790 is at 1.414577 3.819981 2.581030 ESP Fit Center 7791 is at -1.079059 3.301797 2.581030 ESP Fit Center 7792 is at 1.414577 3.819981 -2.545486 ESP Fit Center 7793 is at -1.079059 3.301797 -2.545486 ESP Fit Center 7794 is at 1.266225 3.449051 -2.733862 ESP Fit Center 7795 is at 0.948248 3.715865 -2.733862 ESP Fit Center 7796 is at -0.564933 3.449051 -2.733862 ESP Fit Center 7797 is at -0.772478 3.089572 -2.733862 ESP Fit Center 7798 is at 1.051599 3.085484 -2.870980 ESP Fit Center 7799 is at 0.755341 3.381741 -2.870980 ESP Fit Center 7800 is at 0.350646 3.490179 -2.870980 ESP Fit Center 7801 is at -0.054049 3.381741 -2.870980 ESP Fit Center 7802 is at -0.350306 3.085484 -2.870980 ESP Fit Center 7803 is at -0.458744 2.680789 -2.870980 ESP Fit Center 7804 is at 0.350646 1.871398 -2.870980 ESP Fit Center 7805 is at 0.755341 1.979836 -2.870980 ESP Fit Center 7806 is at 0.759146 2.680789 -2.954286 ESP Fit Center 7807 is at 0.554896 3.034560 -2.954286 ESP Fit Center 7808 is at 0.146396 3.034560 -2.954286 ESP Fit Center 7809 is at -0.057854 2.680789 -2.954286 ESP Fit Center 7810 is at 0.146396 2.327017 -2.954286 ESP Fit Center 7811 is at 0.554896 2.327017 -2.954286 ESP Fit Center 7812 is at 0.350646 2.680789 -2.982228 ESP Fit Center 7813 is at -0.608505 1.608443 3.005820 ESP Fit Center 7814 is at -0.200005 1.608443 2.977878 ESP Fit Center 7815 is at -0.404255 1.962214 2.977878 ESP Fit Center 7816 is at -0.812755 1.962214 2.977878 ESP Fit Center 7817 is at -1.017005 1.608443 2.977878 ESP Fit Center 7818 is at -0.812755 1.254672 2.977878 ESP Fit Center 7819 is at -0.404255 1.254672 2.977878 ESP Fit Center 7820 is at 0.200885 1.608443 2.894572 ESP Fit Center 7821 is at -0.608505 2.417833 2.894572 ESP Fit Center 7822 is at -1.013200 2.309395 2.894572 ESP Fit Center 7823 is at -1.309458 2.013138 2.894572 ESP Fit Center 7824 is at 0.092447 1.203748 2.894572 ESP Fit Center 7825 is at -1.206107 2.643519 2.757454 ESP Fit Center 7826 is at -0.816050 2.785488 -2.745814 ESP Fit Center 7827 is at -1.206107 2.643519 -2.745814 ESP Fit Center 7828 is at 0.200885 1.608443 -2.882932 ESP Fit Center 7829 is at -0.608505 2.417833 -2.882932 ESP Fit Center 7830 is at -1.013200 2.309395 -2.882932 ESP Fit Center 7831 is at 0.092447 1.203748 -2.882932 ESP Fit Center 7832 is at -0.200005 1.608443 -2.966238 ESP Fit Center 7833 is at -0.404255 1.962214 -2.966238 ESP Fit Center 7834 is at -0.812755 1.962214 -2.966238 ESP Fit Center 7835 is at -0.812755 1.254672 -2.966238 ESP Fit Center 7836 is at -0.404255 1.254672 -2.966238 ESP Fit Center 7837 is at -0.608505 1.608443 -2.994180 ESP Fit Center 7838 is at -1.579666 2.338720 2.874219 ESP Fit Center 7839 is at -1.386759 2.672844 2.737101 ESP Fit Center 7840 is at -1.776816 2.814813 2.737101 ESP Fit Center 7841 is at -1.667224 3.163917 2.548725 ESP Fit Center 7842 is at -2.090734 3.192886 2.548725 ESP Fit Center 7843 is at -1.477859 3.462022 2.312601 ESP Fit Center 7844 is at -1.881862 3.528255 2.312601 ESP Fit Center 7845 is at -2.290657 3.506091 2.312601 ESP Fit Center 7846 is at -1.880037 3.827792 2.033126 ESP Fit Center 7847 is at -2.296387 3.807959 2.033126 ESP Fit Center 7848 is at -2.701460 3.709689 2.033126 ESP Fit Center 7849 is at -2.295670 4.068826 1.715508 ESP Fit Center 7850 is at -2.702043 3.981246 1.715508 ESP Fit Center 7851 is at -2.401049 4.268629 1.365662 ESP Fit Center 7852 is at -2.807476 4.171055 1.365662 ESP Fit Center 7853 is at -2.497809 4.417529 0.990106 ESP Fit Center 7854 is at -2.897074 4.313147 0.990106 ESP Fit Center 7855 is at -2.694947 4.487771 0.595835 ESP Fit Center 7856 is at -3.084675 4.361141 0.595835 ESP Fit Center 7857 is at -2.708435 4.541869 0.190194 ESP Fit Center 7858 is at -3.105561 4.412835 0.190194 ESP Fit Center 7859 is at -2.708435 4.541869 -0.219260 ESP Fit Center 7860 is at -3.105561 4.412835 -0.219260 ESP Fit Center 7861 is at -2.694947 4.487771 -0.624901 ESP Fit Center 7862 is at -3.084675 4.361141 -0.624901 ESP Fit Center 7863 is at -2.497809 4.417529 -1.019172 ESP Fit Center 7864 is at -2.897074 4.313147 -1.019172 ESP Fit Center 7865 is at -2.401049 4.268629 -1.394728 ESP Fit Center 7866 is at -2.807476 4.171055 -1.394728 ESP Fit Center 7867 is at -2.295670 4.068826 -1.744574 ESP Fit Center 7868 is at -2.702043 3.981246 -1.744574 ESP Fit Center 7869 is at -1.880037 3.827792 -2.062193 ESP Fit Center 7870 is at -2.296387 3.807959 -2.062193 ESP Fit Center 7871 is at -1.477859 3.462022 -2.341667 ESP Fit Center 7872 is at -1.881862 3.528255 -2.341667 ESP Fit Center 7873 is at -2.290657 3.506091 -2.341667 ESP Fit Center 7874 is at -1.267234 3.021760 -2.577791 ESP Fit Center 7875 is at -1.667224 3.163917 -2.577791 ESP Fit Center 7876 is at -2.090734 3.192886 -2.577791 ESP Fit Center 7877 is at -1.386759 2.672844 -2.766167 ESP Fit Center 7878 is at -1.776816 2.814813 -2.766167 ESP Fit Center 7879 is at -0.147321 -0.882091 -2.744844 ESP Fit Center 7880 is at -0.461055 -0.473308 -2.881962 ESP Fit Center 7881 is at -0.159659 0.318728 3.012536 ESP Fit Center 7882 is at 0.248841 0.318728 2.984594 ESP Fit Center 7883 is at 0.044591 0.672500 2.984594 ESP Fit Center 7884 is at -0.363909 0.672500 2.984594 ESP Fit Center 7885 is at -0.568159 0.318728 2.984594 ESP Fit Center 7886 is at -0.363909 -0.035043 2.984594 ESP Fit Center 7887 is at 0.044591 -0.035043 2.984594 ESP Fit Center 7888 is at 0.541294 0.723424 2.901288 ESP Fit Center 7889 is at 0.245036 1.019681 2.901288 ESP Fit Center 7890 is at 0.755920 1.086990 2.764170 ESP Fit Center 7891 is at 0.755920 1.086990 -2.739098 ESP Fit Center 7892 is at 0.047886 -0.858317 -2.739098 ESP Fit Center 7893 is at 0.541294 0.723424 -2.876216 ESP Fit Center 7894 is at 0.245036 1.019681 -2.876216 ESP Fit Center 7895 is at -0.159659 -0.490662 -2.876216 ESP Fit Center 7896 is at 0.245036 -0.382224 -2.876216 ESP Fit Center 7897 is at 0.248841 0.318728 -2.959521 ESP Fit Center 7898 is at 0.044591 0.672500 -2.959521 ESP Fit Center 7899 is at -0.363909 0.672500 -2.959521 ESP Fit Center 7900 is at -0.363909 -0.035043 -2.959521 ESP Fit Center 7901 is at 0.044591 -0.035043 -2.959521 ESP Fit Center 7902 is at -0.159659 0.318728 -2.987464 ESP Fit Center 7903 is at 1.117213 -0.125537 3.034832 ESP Fit Center 7904 is at 1.525713 -0.125537 3.006890 ESP Fit Center 7905 is at 1.321463 0.228234 3.006890 ESP Fit Center 7906 is at 0.912963 0.228234 3.006890 ESP Fit Center 7907 is at 0.708713 -0.125537 3.006890 ESP Fit Center 7908 is at 0.912963 -0.479308 3.006890 ESP Fit Center 7909 is at 1.321463 -0.479308 3.006890 ESP Fit Center 7910 is at 1.926603 -0.125537 2.923584 ESP Fit Center 7911 is at 1.117213 0.683853 2.923584 ESP Fit Center 7912 is at 0.712517 0.575415 2.923584 ESP Fit Center 7913 is at 0.712517 -0.826490 2.923584 ESP Fit Center 7914 is at 1.117213 -0.934927 2.923584 ESP Fit Center 7915 is at 1.521908 -0.826490 2.923584 ESP Fit Center 7916 is at 1.818165 -0.530232 2.923584 ESP Fit Center 7917 is at 1.324757 -1.302583 2.786466 ESP Fit Center 7918 is at 1.714814 -1.160614 2.786466 ESP Fit Center 7919 is at 2.032791 -0.893799 2.786466 ESP Fit Center 7920 is at 2.240336 -0.534321 2.786466 ESP Fit Center 7921 is at 1.434350 -1.651686 2.598090 ESP Fit Center 7922 is at 1.834340 -1.509530 2.598090 ESP Fit Center 7923 is at 2.181144 -1.264729 2.598090 ESP Fit Center 7924 is at 1.219712 -2.016024 2.361966 ESP Fit Center 7925 is at 1.623714 -1.949791 2.361966 ESP Fit Center 7926 is at 2.004033 -1.798259 2.361966 ESP Fit Center 7927 is at 1.221536 -2.315562 2.082491 ESP Fit Center 7928 is at 1.634116 -2.256242 2.082491 ESP Fit Center 7929 is at 2.028013 -2.119912 2.082491 ESP Fit Center 7930 is at 1.221232 -2.574238 1.764873 ESP Fit Center 7931 is at 1.633568 -2.521437 1.764873 ESP Fit Center 7932 is at 2.031050 -2.399709 1.764873 ESP Fit Center 7933 is at 1.634116 -2.256242 -2.012827 ESP Fit Center 7934 is at 0.810917 -1.993860 -2.292302 ESP Fit Center 7935 is at 1.219712 -2.016024 -2.292302 ESP Fit Center 7936 is at 1.623714 -1.949791 -2.292302 ESP Fit Center 7937 is at 0.595218 -1.594288 -2.528426 ESP Fit Center 7938 is at 1.010840 -1.680655 -2.528426 ESP Fit Center 7939 is at 1.434350 -1.651686 -2.528426 ESP Fit Center 7940 is at 1.834340 -1.509530 -2.528426 ESP Fit Center 7941 is at 2.181144 -1.264729 -2.528426 ESP Fit Center 7942 is at 0.201634 -0.893799 -2.716802 ESP Fit Center 7943 is at 0.519611 -1.160614 -2.716802 ESP Fit Center 7944 is at 0.909668 -1.302583 -2.716802 ESP Fit Center 7945 is at 1.324757 -1.302583 -2.716802 ESP Fit Center 7946 is at 1.714814 -1.160614 -2.716802 ESP Fit Center 7947 is at 2.032791 -0.893799 -2.716802 ESP Fit Center 7948 is at 2.240336 -0.534321 -2.716802 ESP Fit Center 7949 is at 1.926603 -0.125537 -2.853920 ESP Fit Center 7950 is at 1.117213 0.683853 -2.853920 ESP Fit Center 7951 is at 0.712517 0.575415 -2.853920 ESP Fit Center 7952 is at 0.416260 -0.530232 -2.853920 ESP Fit Center 7953 is at 0.712517 -0.826490 -2.853920 ESP Fit Center 7954 is at 1.117213 -0.934927 -2.853920 ESP Fit Center 7955 is at 1.521908 -0.826490 -2.853920 ESP Fit Center 7956 is at 1.818165 -0.530232 -2.853920 ESP Fit Center 7957 is at 1.525713 -0.125537 -2.937226 ESP Fit Center 7958 is at 1.321463 0.228234 -2.937226 ESP Fit Center 7959 is at 0.912963 0.228234 -2.937226 ESP Fit Center 7960 is at 0.708713 -0.125537 -2.937226 ESP Fit Center 7961 is at 0.912963 -0.479308 -2.937226 ESP Fit Center 7962 is at 1.321463 -0.479308 -2.937226 ESP Fit Center 7963 is at 1.117213 -0.125537 -2.965168 ESP Fit Center 7964 is at 1.993345 0.830211 3.035929 ESP Fit Center 7965 is at 2.401845 0.830211 3.007987 ESP Fit Center 7966 is at 2.197595 1.183982 3.007987 ESP Fit Center 7967 is at 1.789095 1.183982 3.007987 ESP Fit Center 7968 is at 1.584845 0.830211 3.007987 ESP Fit Center 7969 is at 1.789095 0.476439 3.007987 ESP Fit Center 7970 is at 2.197595 0.476439 3.007987 ESP Fit Center 7971 is at 2.694297 1.234906 2.924681 ESP Fit Center 7972 is at 2.398040 1.531163 2.924681 ESP Fit Center 7973 is at 1.292392 1.234906 2.924681 ESP Fit Center 7974 is at 1.183954 0.830211 2.924681 ESP Fit Center 7975 is at 1.993345 0.020820 2.924681 ESP Fit Center 7976 is at 2.398040 0.129258 2.924681 ESP Fit Center 7977 is at 0.870221 1.238994 2.787563 ESP Fit Center 7978 is at 2.694297 1.234906 -2.852823 ESP Fit Center 7979 is at 2.398040 1.531163 -2.852823 ESP Fit Center 7980 is at 1.292392 1.234906 -2.852823 ESP Fit Center 7981 is at 1.183954 0.830211 -2.852823 ESP Fit Center 7982 is at 1.993345 0.020820 -2.852823 ESP Fit Center 7983 is at 2.398040 0.129258 -2.852823 ESP Fit Center 7984 is at 2.401845 0.830211 -2.936129 ESP Fit Center 7985 is at 2.197595 1.183982 -2.936129 ESP Fit Center 7986 is at 1.789095 1.183982 -2.936129 ESP Fit Center 7987 is at 1.584845 0.830211 -2.936129 ESP Fit Center 7988 is at 1.789095 0.476439 -2.936129 ESP Fit Center 7989 is at 2.197595 0.476439 -2.936129 ESP Fit Center 7990 is at 1.993345 0.830211 -2.964071 ESP Fit Center 7991 is at 1.648816 2.142575 3.032047 ESP Fit Center 7992 is at 2.057316 2.142575 3.004105 ESP Fit Center 7993 is at 1.853066 2.496347 3.004105 ESP Fit Center 7994 is at 1.444566 2.496347 3.004105 ESP Fit Center 7995 is at 1.240316 2.142575 3.004105 ESP Fit Center 7996 is at 1.444566 1.788804 3.004105 ESP Fit Center 7997 is at 1.853066 1.788804 3.004105 ESP Fit Center 7998 is at 2.458206 2.142575 2.920799 ESP Fit Center 7999 is at 2.349769 2.547270 2.920799 ESP Fit Center 8000 is at 2.053511 2.843528 2.920799 ESP Fit Center 8001 is at 1.648816 2.951966 2.920799 ESP Fit Center 8002 is at 1.244121 2.843528 2.920799 ESP Fit Center 8003 is at 0.947863 1.737880 2.920799 ESP Fit Center 8004 is at 1.244121 1.441623 2.920799 ESP Fit Center 8005 is at 2.349769 1.737880 2.920799 ESP Fit Center 8006 is at 2.844019 2.142575 2.783681 ESP Fit Center 8007 is at 2.771940 2.551359 2.783681 ESP Fit Center 8008 is at 2.564395 2.910837 2.783681 ESP Fit Center 8009 is at 2.246418 3.177652 2.783681 ESP Fit Center 8010 is at 1.856361 3.319621 2.783681 ESP Fit Center 8011 is at 1.441271 3.319621 2.783681 ESP Fit Center 8012 is at 0.733237 1.374313 2.783681 ESP Fit Center 8013 is at 3.149765 2.563121 2.595305 ESP Fit Center 8014 is at 2.980644 2.952478 2.595305 ESP Fit Center 8015 is at 2.712747 3.281767 2.595305 ESP Fit Center 8016 is at 2.365943 3.526568 2.595305 ESP Fit Center 8017 is at 1.965953 3.668724 2.595305 ESP Fit Center 8018 is at 1.542443 3.697693 2.595305 ESP Fit Center 8019 is at 3.497816 2.549571 2.359181 ESP Fit Center 8020 is at 3.367096 2.937536 2.359181 ESP Fit Center 8021 is at 3.156030 3.288330 2.359181 ESP Fit Center 8022 is at 2.874489 3.585549 2.359181 ESP Fit Center 8023 is at 2.535637 3.815297 2.359181 ESP Fit Center 8024 is at 2.155318 3.966830 2.359181 ESP Fit Center 8025 is at 1.751315 4.033062 2.359181 ESP Fit Center 8026 is at 3.684270 2.957448 2.079706 ESP Fit Center 8027 is at 2.559617 4.136951 2.079706 ESP Fit Center 8028 is at 2.165719 4.273280 2.079706 ESP Fit Center 8029 is at 3.684270 2.957448 -2.015613 ESP Fit Center 8030 is at 2.559617 4.136951 -2.015613 ESP Fit Center 8031 is at 2.165719 4.273280 -2.015613 ESP Fit Center 8032 is at 3.497816 2.549571 -2.295087 ESP Fit Center 8033 is at 3.367096 2.937536 -2.295087 ESP Fit Center 8034 is at 3.156030 3.288330 -2.295087 ESP Fit Center 8035 is at 2.874489 3.585549 -2.295087 ESP Fit Center 8036 is at 2.535637 3.815297 -2.295087 ESP Fit Center 8037 is at 2.155318 3.966830 -2.295087 ESP Fit Center 8038 is at 3.149765 2.563121 -2.531212 ESP Fit Center 8039 is at 2.980644 2.952478 -2.531212 ESP Fit Center 8040 is at 2.712747 3.281767 -2.531212 ESP Fit Center 8041 is at 2.365943 3.526568 -2.531212 ESP Fit Center 8042 is at 1.965953 3.668724 -2.531212 ESP Fit Center 8043 is at 2.844019 2.142575 -2.719587 ESP Fit Center 8044 is at 2.771940 2.551359 -2.719587 ESP Fit Center 8045 is at 2.564395 2.910837 -2.719587 ESP Fit Center 8046 is at 2.246418 3.177652 -2.719587 ESP Fit Center 8047 is at 1.856361 3.319621 -2.719587 ESP Fit Center 8048 is at 1.441271 3.319621 -2.719587 ESP Fit Center 8049 is at 0.733237 1.374313 -2.719587 ESP Fit Center 8050 is at 2.771940 1.733792 -2.719587 ESP Fit Center 8051 is at 2.458206 2.142575 -2.856705 ESP Fit Center 8052 is at 2.349769 2.547270 -2.856705 ESP Fit Center 8053 is at 2.053511 2.843528 -2.856705 ESP Fit Center 8054 is at 1.648816 2.951966 -2.856705 ESP Fit Center 8055 is at 1.244121 2.843528 -2.856705 ESP Fit Center 8056 is at 0.947863 1.737880 -2.856705 ESP Fit Center 8057 is at 1.244121 1.441623 -2.856705 ESP Fit Center 8058 is at 2.349769 1.737880 -2.856705 ESP Fit Center 8059 is at 2.057316 2.142575 -2.940011 ESP Fit Center 8060 is at 1.853066 2.496347 -2.940011 ESP Fit Center 8061 is at 1.444566 2.496347 -2.940011 ESP Fit Center 8062 is at 1.240316 2.142575 -2.940011 ESP Fit Center 8063 is at 1.444566 1.788804 -2.940011 ESP Fit Center 8064 is at 1.853066 1.788804 -2.940011 ESP Fit Center 8065 is at 1.648816 2.142575 -2.967953 ESP Fit Center 8066 is at 1.265966 -2.610264 1.721918 ESP Fit Center 8067 is at 1.188861 -3.375820 1.426101 ESP Fit Center 8068 is at 1.423433 -3.019171 1.426101 ESP Fit Center 8069 is at 0.879914 -3.957925 1.083411 ESP Fit Center 8070 is at 1.212474 -3.700504 1.083411 ESP Fit Center 8071 is at 1.486408 -3.381410 1.083411 ESP Fit Center 8072 is at 1.690501 -3.013704 1.083411 ESP Fit Center 8073 is at 0.717353 -4.245510 0.704259 ESP Fit Center 8074 is at 1.088663 -4.031133 0.704259 ESP Fit Center 8075 is at 1.412693 -3.750360 0.704259 ESP Fit Center 8076 is at 1.677730 -3.413338 0.704259 ESP Fit Center 8077 is at 0.510857 -4.441910 0.300167 ESP Fit Center 8078 is at 0.900490 -4.275372 0.300167 ESP Fit Center 8079 is at 1.254125 -4.041940 0.300167 ESP Fit Center 8080 is at 1.560396 -3.749114 0.300167 ESP Fit Center 8081 is at 1.809460 -3.406308 0.300167 ESP Fit Center 8082 is at 0.601331 -4.449313 -0.116589 ESP Fit Center 8083 is at 0.980483 -4.272512 -0.116589 ESP Fit Center 8084 is at 1.323173 -4.032558 -0.116589 ESP Fit Center 8085 is at 1.618990 -3.736741 -0.116589 ESP Fit Center 8086 is at 0.510857 -4.441910 -0.533345 ESP Fit Center 8087 is at 0.900490 -4.275372 -0.533345 ESP Fit Center 8088 is at 1.254125 -4.041940 -0.533345 ESP Fit Center 8089 is at 1.560396 -3.749114 -0.533345 ESP Fit Center 8090 is at 1.809460 -3.406308 -0.533345 ESP Fit Center 8091 is at 0.312181 -4.385741 -0.937437 ESP Fit Center 8092 is at 0.717353 -4.245510 -0.937437 ESP Fit Center 8093 is at 1.088663 -4.031133 -0.937437 ESP Fit Center 8094 is at 1.412693 -3.750360 -0.937437 ESP Fit Center 8095 is at 1.677730 -3.413338 -0.937437 ESP Fit Center 8096 is at 0.502343 -4.143132 -1.316589 ESP Fit Center 8097 is at 0.879914 -3.957925 -1.316589 ESP Fit Center 8098 is at 1.212474 -3.700504 -1.316589 ESP Fit Center 8099 is at 1.486408 -3.381410 -1.316589 ESP Fit Center 8100 is at 1.690501 -3.013704 -1.316589 ESP Fit Center 8101 is at 0.508678 -3.882197 -1.659279 ESP Fit Center 8102 is at 0.878363 -3.668760 -1.659279 ESP Fit Center 8103 is at 1.188861 -3.375820 -1.659279 ESP Fit Center 8104 is at 1.423433 -3.019171 -1.659279 ESP Fit Center 8105 is at 1.569432 -2.618040 -1.659279 ESP Fit Center 8106 is at 0.833451 -3.321504 -1.955096 ESP Fit Center 8107 is at 1.098587 -2.995608 -1.955096 ESP Fit Center 8108 is at 1.265966 -2.610264 -1.955096 ESP Fit Center 8109 is at 0.980483 -2.194051 -2.195050 ESP Fit Center 8110 is at 0.699736 -2.965396 -2.195050 ESP Fit Center 8111 is at 0.908114 -2.604475 -2.195050 ESP Fit Center 8112 is at 0.601331 -2.194051 -2.371851 ESP Fit Center 8113 is at -1.901832 -4.776482 3.362944 ESP Fit Center 8114 is at -1.485076 -4.776482 3.362944 ESP Fit Center 8115 is at -1.093454 -4.633943 3.362944 ESP Fit Center 8116 is at -2.583093 -4.855044 3.122990 ESP Fit Center 8117 is at -2.210069 -5.048329 3.122990 ESP Fit Center 8118 is at -1.798731 -5.133806 3.122990 ESP Fit Center 8119 is at -1.379584 -5.105136 3.122990 ESP Fit Center 8120 is at -0.983716 -4.964444 3.122990 ESP Fit Center 8121 is at -0.640486 -4.722166 3.122990 ESP Fit Center 8122 is at -2.955114 -4.931994 2.827174 ESP Fit Center 8123 is at -2.612707 -5.186906 2.827174 ESP Fit Center 8124 is at -2.220744 -5.355983 2.827174 ESP Fit Center 8125 is at -1.800354 -5.430109 2.827174 ESP Fit Center 8126 is at -1.374201 -5.405288 2.827174 ESP Fit Center 8127 is at -0.965259 -5.282859 2.827174 ESP Fit Center 8128 is at -0.595574 -5.069421 2.827174 ESP Fit Center 8129 is at -0.285076 -4.776482 2.827174 ESP Fit Center 8130 is at -3.270503 -4.948565 2.484483 ESP Fit Center 8131 is at -2.965692 -5.238309 2.484483 ESP Fit Center 8132 is at -2.608796 -5.460764 2.484483 ESP Fit Center 8133 is at -2.214425 -5.606823 2.484483 ESP Fit Center 8134 is at -1.798726 -5.670506 2.484483 ESP Fit Center 8135 is at -1.378717 -5.649205 2.484483 ESP Fit Center 8136 is at -0.971593 -5.543794 2.484483 ESP Fit Center 8137 is at -0.594023 -5.358586 2.484483 ESP Fit Center 8138 is at -0.261463 -5.101166 2.484483 ESP Fit Center 8139 is at 0.012471 -4.782071 2.484483 ESP Fit Center 8140 is at -3.466210 -4.988823 2.105332 ESP Fit Center 8141 is at -3.170337 -5.299126 2.105332 ESP Fit Center 8142 is at -2.821085 -5.547827 2.105332 ESP Fit Center 8143 is at -2.431078 -5.725937 2.105332 ESP Fit Center 8144 is at -2.014411 -5.827019 2.105332 ESP Fit Center 8145 is at -1.586144 -5.847420 2.105332 ESP Fit Center 8146 is at -1.161756 -5.786402 2.105332 ESP Fit Center 8147 is at -0.756584 -5.646171 2.105332 ESP Fit Center 8148 is at -0.385273 -5.431795 2.105332 ESP Fit Center 8149 is at -0.061244 -5.151022 2.105332 ESP Fit Center 8150 is at 0.203794 -4.813999 2.105332 ESP Fit Center 8151 is at 0.400259 -4.432909 2.105332 ESP Fit Center 8152 is at -3.605597 -4.983966 1.701239 ESP Fit Center 8153 is at -3.326807 -5.303066 1.701239 ESP Fit Center 8154 is at -2.995520 -5.567259 1.701239 ESP Fit Center 8155 is at -2.622384 -5.768052 1.701239 ESP Fit Center 8156 is at -2.219391 -5.898992 1.701239 ESP Fit Center 8157 is at -1.799494 -5.955871 1.701239 ESP Fit Center 8158 is at -1.376188 -5.936860 1.701239 ESP Fit Center 8159 is at -0.963080 -5.842571 1.701239 ESP Fit Center 8160 is at -0.573447 -5.676034 1.701239 ESP Fit Center 8161 is at -0.219812 -5.442601 1.701239 ESP Fit Center 8162 is at 0.086460 -5.149776 1.701239 ESP Fit Center 8163 is at 0.335523 -4.806970 1.701239 ESP Fit Center 8164 is at 0.519373 -4.425200 1.701239 ESP Fit Center 8165 is at -3.771915 -4.794712 1.284483 ESP Fit Center 8166 is at -3.531961 -5.137403 1.284483 ESP Fit Center 8167 is at -3.236144 -5.433219 1.284483 ESP Fit Center 8168 is at -2.893454 -5.673173 1.284483 ESP Fit Center 8169 is at -2.514302 -5.849975 1.284483 ESP Fit Center 8170 is at -2.110209 -5.958251 1.284483 ESP Fit Center 8171 is at -1.693454 -5.994712 1.284483 ESP Fit Center 8172 is at -1.276698 -5.958251 1.284483 ESP Fit Center 8173 is at -0.872606 -5.849975 1.284483 ESP Fit Center 8174 is at -0.493454 -5.673173 1.284483 ESP Fit Center 8175 is at -0.150764 -5.433219 1.284483 ESP Fit Center 8176 is at 0.145053 -5.137403 1.284483 ESP Fit Center 8177 is at 0.385007 -4.794712 1.284483 ESP Fit Center 8178 is at 0.561808 -4.415561 1.284483 ESP Fit Center 8179 is at -3.605597 -4.983966 0.867728 ESP Fit Center 8180 is at -3.326807 -5.303066 0.867728 ESP Fit Center 8181 is at -2.995520 -5.567259 0.867728 ESP Fit Center 8182 is at -2.622384 -5.768052 0.867728 ESP Fit Center 8183 is at -2.219391 -5.898992 0.867728 ESP Fit Center 8184 is at -1.799494 -5.955871 0.867728 ESP Fit Center 8185 is at -1.376188 -5.936860 0.867728 ESP Fit Center 8186 is at -0.963080 -5.842571 0.867728 ESP Fit Center 8187 is at -0.573447 -5.676034 0.867728 ESP Fit Center 8188 is at -0.219812 -5.442601 0.867728 ESP Fit Center 8189 is at 0.086460 -5.149776 0.867728 ESP Fit Center 8190 is at 0.335523 -4.806970 0.867728 ESP Fit Center 8191 is at 0.519373 -4.425200 0.867728 ESP Fit Center 8192 is at -3.466210 -4.988823 0.463635 ESP Fit Center 8193 is at -3.170337 -5.299126 0.463635 ESP Fit Center 8194 is at -2.821085 -5.547827 0.463635 ESP Fit Center 8195 is at -2.431078 -5.725937 0.463635 ESP Fit Center 8196 is at -2.014411 -5.827019 0.463635 ESP Fit Center 8197 is at -1.586144 -5.847420 0.463635 ESP Fit Center 8198 is at -1.161756 -5.786402 0.463635 ESP Fit Center 8199 is at -0.756584 -5.646171 0.463635 ESP Fit Center 8200 is at -0.385273 -5.431795 0.463635 ESP Fit Center 8201 is at -0.061244 -5.151022 0.463635 ESP Fit Center 8202 is at 0.203794 -4.813999 0.463635 ESP Fit Center 8203 is at -3.270503 -4.948565 0.084483 ESP Fit Center 8204 is at -2.965692 -5.238309 0.084483 ESP Fit Center 8205 is at -2.608796 -5.460764 0.084483 ESP Fit Center 8206 is at -2.214425 -5.606823 0.084483 ESP Fit Center 8207 is at -1.798726 -5.670506 0.084483 ESP Fit Center 8208 is at -1.378717 -5.649205 0.084483 ESP Fit Center 8209 is at -0.971593 -5.543794 0.084483 ESP Fit Center 8210 is at -0.594023 -5.358586 0.084483 ESP Fit Center 8211 is at -0.261463 -5.101166 0.084483 ESP Fit Center 8212 is at 0.012471 -4.782071 0.084483 ESP Fit Center 8213 is at -2.955114 -4.931994 -0.258207 ESP Fit Center 8214 is at -2.612707 -5.186906 -0.258207 ESP Fit Center 8215 is at -2.220744 -5.355983 -0.258207 ESP Fit Center 8216 is at -1.800354 -5.430109 -0.258207 ESP Fit Center 8217 is at -1.374201 -5.405288 -0.258207 ESP Fit Center 8218 is at -0.965259 -5.282859 -0.258207 ESP Fit Center 8219 is at -0.595574 -5.069421 -0.258207 ESP Fit Center 8220 is at -0.285076 -4.776482 -0.258207 ESP Fit Center 8221 is at -1.178564 -2.143511 4.543865 ESP Fit Center 8222 is at -0.761808 -2.143511 4.507403 ESP Fit Center 8223 is at -0.970186 -1.782590 4.507403 ESP Fit Center 8224 is at -1.386942 -1.782590 4.507403 ESP Fit Center 8225 is at -1.595319 -2.143511 4.507403 ESP Fit Center 8226 is at -1.386942 -2.504432 4.507403 ESP Fit Center 8227 is at -0.970186 -2.504432 4.507403 ESP Fit Center 8228 is at -0.357715 -2.143511 4.399127 ESP Fit Center 8229 is at -0.467688 -1.733087 4.399127 ESP Fit Center 8230 is at -0.768140 -1.432635 4.399127 ESP Fit Center 8231 is at -1.178564 -1.322663 4.399127 ESP Fit Center 8232 is at -1.588988 -1.432635 4.399127 ESP Fit Center 8233 is at -1.889439 -1.733087 4.399127 ESP Fit Center 8234 is at -1.999412 -2.143511 4.399127 ESP Fit Center 8235 is at -1.889439 -2.553935 4.399127 ESP Fit Center 8236 is at -1.588988 -2.854386 4.399127 ESP Fit Center 8237 is at -1.178564 -2.964359 4.399127 ESP Fit Center 8238 is at -0.768140 -2.854386 4.399127 ESP Fit Center 8239 is at -0.467688 -2.553935 4.399127 ESP Fit Center 8240 is at 0.021436 -2.143511 4.222326 ESP Fit Center 8241 is at -0.050933 -1.733087 4.222326 ESP Fit Center 8242 is at -0.259310 -1.372166 4.222326 ESP Fit Center 8243 is at -0.578564 -1.104280 4.222326 ESP Fit Center 8244 is at -0.970186 -0.961742 4.222326 ESP Fit Center 8245 is at -1.386942 -0.961742 4.222326 ESP Fit Center 8246 is at -1.778564 -1.104280 4.222326 ESP Fit Center 8247 is at -2.097817 -1.372166 4.222326 ESP Fit Center 8248 is at -2.306195 -1.733087 4.222326 ESP Fit Center 8249 is at -1.386942 -3.325280 4.222326 ESP Fit Center 8250 is at -0.970186 -3.325280 4.222326 ESP Fit Center 8251 is at -0.578564 -3.182741 4.222326 ESP Fit Center 8252 is at -0.259310 -2.914856 4.222326 ESP Fit Center 8253 is at -0.050933 -2.553935 4.222326 ESP Fit Center 8254 is at 0.364126 -2.143511 3.982372 ESP Fit Center 8255 is at 0.306919 -1.727298 3.982372 ESP Fit Center 8256 is at 0.139541 -1.341954 3.982372 ESP Fit Center 8257 is at -0.125596 -1.016057 3.982372 ESP Fit Center 8258 is at -0.468826 -0.773779 3.982372 ESP Fit Center 8259 is at -0.864694 -0.633087 3.982372 ESP Fit Center 8260 is at -1.283841 -0.604417 3.982372 ESP Fit Center 8261 is at -1.695179 -0.689894 3.982372 ESP Fit Center 8262 is at -0.864694 -3.653934 3.982372 ESP Fit Center 8263 is at -0.468826 -3.513243 3.982372 ESP Fit Center 8264 is at -0.125596 -3.270964 3.982372 ESP Fit Center 8265 is at 0.139541 -2.945068 3.982372 ESP Fit Center 8266 is at 0.306919 -2.559724 3.982372 ESP Fit Center 8267 is at 0.659943 -2.143511 3.686555 ESP Fit Center 8268 is at 0.610386 -1.719522 3.686555 ESP Fit Center 8269 is at 0.464386 -1.318391 3.686555 ESP Fit Center 8270 is at 0.229814 -0.961742 3.686555 ESP Fit Center 8271 is at -0.080684 -0.668802 3.686555 ESP Fit Center 8272 is at -0.450368 -0.455364 3.686555 ESP Fit Center 8273 is at -0.859310 -0.332935 3.686555 ESP Fit Center 8274 is at -1.285463 -0.308115 3.686555 ESP Fit Center 8275 is at -0.450368 -3.831657 3.686555 ESP Fit Center 8276 is at -0.080684 -3.618220 3.686555 ESP Fit Center 8277 is at 0.229814 -3.325280 3.686555 ESP Fit Center 8278 is at 0.464386 -2.968631 3.686555 ESP Fit Center 8279 is at 0.610386 -2.567500 3.686555 ESP Fit Center 8280 is at 0.899897 -2.143511 3.343865 ESP Fit Center 8281 is at 0.857351 -1.725120 3.343865 ESP Fit Center 8282 is at 0.731454 -1.323858 3.343865 ESP Fit Center 8283 is at 0.527361 -0.956152 3.343865 ESP Fit Center 8284 is at 0.253427 -0.637057 3.343865 ESP Fit Center 8285 is at -0.079133 -0.379637 3.343865 ESP Fit Center 8286 is at -0.456703 -0.194430 3.343865 ESP Fit Center 8287 is at -0.863827 -0.089018 3.343865 ESP Fit Center 8288 is at 0.253427 -3.649964 3.343865 ESP Fit Center 8289 is at 0.527361 -3.330870 3.343865 ESP Fit Center 8290 is at 0.731454 -2.963164 3.343865 ESP Fit Center 8291 is at 0.857351 -2.561902 3.343865 ESP Fit Center 8292 is at 1.076699 -2.143511 2.964713 ESP Fit Center 8293 is at 1.035943 -1.716700 2.964713 ESP Fit Center 8294 is at 0.915149 -1.305315 2.964713 ESP Fit Center 8295 is at 0.718684 -0.924224 2.964713 ESP Fit Center 8296 is at 0.453646 -0.587202 2.964713 ESP Fit Center 8297 is at 0.129617 -0.306428 2.964713 ESP Fit Center 8298 is at -0.646866 0.048179 2.964713 ESP Fit Center 8299 is at 0.453646 -3.699820 2.964713 ESP Fit Center 8300 is at 0.718684 -3.362798 2.964713 ESP Fit Center 8301 is at 0.915149 -2.981707 2.964713 ESP Fit Center 8302 is at 1.035943 -2.570322 2.964713 ESP Fit Center 8303 is at 1.184975 -2.143511 2.560621 ESP Fit Center 8304 is at 0.850413 -3.355768 2.560621 ESP Fit Center 8305 is at 1.034263 -2.973999 2.560621 ESP Fit Center 8306 is at 1.146992 -2.565537 2.560621 ESP Fit Center 8307 is at 1.076699 -2.964359 2.143865 ESP Fit Center 8308 is at 1.184975 -2.560266 2.143865 ESP Fit Center 8309 is at 3.768125 -0.569285 2.933448 ESP Fit Center 8310 is at 4.176625 -0.569285 2.905506 ESP Fit Center 8311 is at 3.972375 -0.215514 2.905506 ESP Fit Center 8312 is at 3.359625 -0.569285 2.905506 ESP Fit Center 8313 is at 3.563875 -0.923057 2.905506 ESP Fit Center 8314 is at 3.972375 -0.923057 2.905506 ESP Fit Center 8315 is at 4.469077 -0.164590 2.822200 ESP Fit Center 8316 is at 2.958735 -0.569285 2.822200 ESP Fit Center 8317 is at 3.067172 -0.973981 2.822200 ESP Fit Center 8318 is at 3.363430 -1.270238 2.822200 ESP Fit Center 8319 is at 3.768125 -1.378676 2.822200 ESP Fit Center 8320 is at 4.172820 -1.270238 2.822200 ESP Fit Center 8321 is at 2.572922 -0.569285 2.685082 ESP Fit Center 8322 is at 2.645001 -0.978069 2.685082 ESP Fit Center 8323 is at 2.852546 -1.337547 2.685082 ESP Fit Center 8324 is at 3.170523 -1.604362 2.685082 ESP Fit Center 8325 is at 3.560580 -1.746331 2.685082 ESP Fit Center 8326 is at 3.975670 -1.746331 2.685082 ESP Fit Center 8327 is at 2.558983 -1.552995 2.496707 ESP Fit Center 8328 is at 2.869223 -1.842739 2.496707 ESP Fit Center 8329 is at 3.246131 -2.038036 2.496707 ESP Fit Center 8330 is at 3.661752 -2.124404 2.496707 ESP Fit Center 8331 is at 2.393624 -1.871282 2.260582 ESP Fit Center 8332 is at 2.705650 -2.136319 2.260582 ESP Fit Center 8333 is at 3.067356 -2.328084 2.260582 ESP Fit Center 8334 is at 3.461829 -2.437608 2.260582 ESP Fit Center 8335 is at 2.332338 -2.226272 1.981108 ESP Fit Center 8336 is at 2.671871 -2.468053 1.981108 ESP Fit Center 8337 is at 3.051026 -2.641207 1.981108 ESP Fit Center 8338 is at 3.456098 -2.739477 1.981108 ESP Fit Center 8339 is at 3.050443 -2.912764 1.663489 ESP Fit Center 8340 is at 2.338420 -1.190294 -2.629810 ESP Fit Center 8341 is at 2.558983 -1.552995 -2.629810 ESP Fit Center 8342 is at 2.869223 -1.842739 -2.629810 ESP Fit Center 8343 is at 3.246131 -2.038036 -2.629810 ESP Fit Center 8344 is at 3.661752 -2.124404 -2.629810 ESP Fit Center 8345 is at 4.683704 0.198976 -2.818185 ESP Fit Center 8346 is at 4.365727 0.465791 -2.818185 ESP Fit Center 8347 is at 2.645001 -0.160502 -2.818185 ESP Fit Center 8348 is at 2.572922 -0.569285 -2.818185 ESP Fit Center 8349 is at 2.645001 -0.978069 -2.818185 ESP Fit Center 8350 is at 2.852546 -1.337547 -2.818185 ESP Fit Center 8351 is at 3.170523 -1.604362 -2.818185 ESP Fit Center 8352 is at 3.560580 -1.746331 -2.818185 ESP Fit Center 8353 is at 3.975670 -1.746331 -2.818185 ESP Fit Center 8354 is at 4.469077 -0.164590 -2.955303 ESP Fit Center 8355 is at 4.172820 0.131667 -2.955303 ESP Fit Center 8356 is at 3.768125 0.240105 -2.955303 ESP Fit Center 8357 is at 3.363430 0.131667 -2.955303 ESP Fit Center 8358 is at 3.067172 -0.164590 -2.955303 ESP Fit Center 8359 is at 2.958735 -0.569285 -2.955303 ESP Fit Center 8360 is at 3.067172 -0.973981 -2.955303 ESP Fit Center 8361 is at 3.363430 -1.270238 -2.955303 ESP Fit Center 8362 is at 3.768125 -1.378676 -2.955303 ESP Fit Center 8363 is at 4.172820 -1.270238 -2.955303 ESP Fit Center 8364 is at 4.176625 -0.569285 -3.038609 ESP Fit Center 8365 is at 3.972375 -0.215514 -3.038609 ESP Fit Center 8366 is at 3.563875 -0.215514 -3.038609 ESP Fit Center 8367 is at 3.359625 -0.569285 -3.038609 ESP Fit Center 8368 is at 3.563875 -0.923057 -3.038609 ESP Fit Center 8369 is at 3.972375 -0.923057 -3.038609 ESP Fit Center 8370 is at 3.768125 -0.569285 -3.066552 ESP Fit Center 8371 is at -4.105650 -0.153885 4.537571 ESP Fit Center 8372 is at -3.693309 -0.153885 4.519053 ESP Fit Center 8373 is at -3.899480 0.203212 4.519053 ESP Fit Center 8374 is at -4.311820 0.203212 4.519053 ESP Fit Center 8375 is at -4.517991 -0.153885 4.519053 ESP Fit Center 8376 is at -4.311820 -0.510983 4.519053 ESP Fit Center 8377 is at -3.899480 -0.510983 4.519053 ESP Fit Center 8378 is at -3.284288 -0.153885 4.463647 ESP Fit Center 8379 is at -3.394330 0.256795 4.463647 ESP Fit Center 8380 is at -3.694969 0.557435 4.463647 ESP Fit Center 8381 is at -4.105650 0.667476 4.463647 ESP Fit Center 8382 is at -4.516331 0.557435 4.463647 ESP Fit Center 8383 is at -4.816970 0.256795 4.463647 ESP Fit Center 8384 is at -4.927012 -0.153885 4.463647 ESP Fit Center 8385 is at -4.816970 -0.564566 4.463647 ESP Fit Center 8386 is at -4.516331 -0.865206 4.463647 ESP Fit Center 8387 is at -4.105650 -0.975247 4.463647 ESP Fit Center 8388 is at -3.694969 -0.865206 4.463647 ESP Fit Center 8389 is at -3.394330 -0.564566 4.463647 ESP Fit Center 8390 is at -2.881881 -0.153885 4.371800 ESP Fit Center 8391 is at -2.955683 0.264668 4.371800 ESP Fit Center 8392 is at -3.168188 0.632738 4.371800 ESP Fit Center 8393 is at -3.493765 0.905930 4.371800 ESP Fit Center 8394 is at -3.893145 1.051292 4.371800 ESP Fit Center 8395 is at -4.318155 1.051292 4.371800 ESP Fit Center 8396 is at -4.717535 0.905930 4.371800 ESP Fit Center 8397 is at -5.043112 0.632738 4.371800 ESP Fit Center 8398 is at -5.255617 0.264668 4.371800 ESP Fit Center 8399 is at -5.329420 -0.153885 4.371800 ESP Fit Center 8400 is at -5.255617 -0.572439 4.371800 ESP Fit Center 8401 is at -5.043112 -0.940509 4.371800 ESP Fit Center 8402 is at -4.717535 -1.213701 4.371800 ESP Fit Center 8403 is at -4.318155 -1.359063 4.371800 ESP Fit Center 8404 is at -3.893145 -1.359063 4.371800 ESP Fit Center 8405 is at -3.493765 -1.213701 4.371800 ESP Fit Center 8406 is at -3.168188 -0.940509 4.371800 ESP Fit Center 8407 is at -2.955683 -0.572439 4.371800 ESP Fit Center 8408 is at -2.489326 -0.153885 4.244251 ESP Fit Center 8409 is at -2.544401 0.264450 4.244251 ESP Fit Center 8410 is at -2.705872 0.654277 4.244251 ESP Fit Center 8411 is at -2.962736 0.989028 4.244251 ESP Fit Center 8412 is at -3.297488 1.245892 4.244251 ESP Fit Center 8413 is at -3.687315 1.407364 4.244251 ESP Fit Center 8414 is at -4.105650 1.462439 4.244251 ESP Fit Center 8415 is at -4.523986 1.407364 4.244251 ESP Fit Center 8416 is at -4.913812 1.245892 4.244251 ESP Fit Center 8417 is at -5.248564 0.989028 4.244251 ESP Fit Center 8418 is at -5.505428 0.654277 4.244251 ESP Fit Center 8419 is at -5.666899 0.264450 4.244251 ESP Fit Center 8420 is at -5.721974 -0.153885 4.244251 ESP Fit Center 8421 is at -5.666899 -0.572221 4.244251 ESP Fit Center 8422 is at -5.505428 -0.962047 4.244251 ESP Fit Center 8423 is at -5.248564 -1.296799 4.244251 ESP Fit Center 8424 is at -4.913812 -1.553663 4.244251 ESP Fit Center 8425 is at -4.523986 -1.715135 4.244251 ESP Fit Center 8426 is at -4.105650 -1.770210 4.244251 ESP Fit Center 8427 is at -3.687315 -1.715135 4.244251 ESP Fit Center 8428 is at -3.297488 -1.553663 4.244251 ESP Fit Center 8429 is at -2.962736 -1.296799 4.244251 ESP Fit Center 8430 is at -2.705872 -0.962047 4.244251 ESP Fit Center 8431 is at -2.544401 -0.572221 4.244251 ESP Fit Center 8432 is at -2.109785 -0.153885 4.082028 ESP Fit Center 8433 is at -2.153399 0.261078 4.082028 ESP Fit Center 8434 is at -2.282336 0.657906 4.082028 ESP Fit Center 8435 is at -2.490961 1.019255 4.082028 ESP Fit Center 8436 is at -2.770156 1.329332 4.082028 ESP Fit Center 8437 is at -3.107717 1.574585 4.082028 ESP Fit Center 8438 is at -3.488894 1.744295 4.082028 ESP Fit Center 8439 is at -3.897025 1.831046 4.082028 ESP Fit Center 8440 is at -4.314275 1.831046 4.082028 ESP Fit Center 8441 is at -4.722406 1.744295 4.082028 ESP Fit Center 8442 is at -5.103583 1.574585 4.082028 ESP Fit Center 8443 is at -5.441145 1.329332 4.082028 ESP Fit Center 8444 is at -5.720339 1.019255 4.082028 ESP Fit Center 8445 is at -5.928964 0.657906 4.082028 ESP Fit Center 8446 is at -6.057901 0.261078 4.082028 ESP Fit Center 8447 is at -6.101515 -0.153885 4.082028 ESP Fit Center 8448 is at -6.057901 -0.568849 4.082028 ESP Fit Center 8449 is at -5.928964 -0.965677 4.082028 ESP Fit Center 8450 is at -5.720339 -1.327026 4.082028 ESP Fit Center 8451 is at -5.441145 -1.637102 4.082028 ESP Fit Center 8452 is at -5.103583 -1.882355 4.082028 ESP Fit Center 8453 is at -4.722406 -2.052066 4.082028 ESP Fit Center 8454 is at -4.314275 -2.138817 4.082028 ESP Fit Center 8455 is at -3.897025 -2.138817 4.082028 ESP Fit Center 8456 is at -3.488894 -2.052066 4.082028 ESP Fit Center 8457 is at -3.107717 -1.882355 4.082028 ESP Fit Center 8458 is at -2.770156 -1.637102 4.082028 ESP Fit Center 8459 is at -2.490961 -1.327026 4.082028 ESP Fit Center 8460 is at -2.282336 -0.965677 4.082028 ESP Fit Center 8461 is at -2.153399 -0.568849 4.082028 ESP Fit Center 8462 is at -1.746313 -0.153885 3.886435 ESP Fit Center 8463 is at -1.784229 0.267390 3.886435 ESP Fit Center 8464 is at -1.896757 0.675126 3.886435 ESP Fit Center 8465 is at -2.080280 1.056217 3.886435 ESP Fit Center 8466 is at -2.328901 1.398414 3.886435 ESP Fit Center 8467 is at -2.634628 1.690718 3.886435 ESP Fit Center 8468 is at -2.987634 1.923736 3.886435 ESP Fit Center 8469 is at -3.376575 2.089977 3.886435 ESP Fit Center 8470 is at -3.788949 2.184099 3.886435 ESP Fit Center 8471 is at -4.211501 2.203076 3.886435 ESP Fit Center 8472 is at -4.630652 2.146298 3.886435 ESP Fit Center 8473 is at -5.032928 2.015590 3.886435 ESP Fit Center 8474 is at -5.405402 1.815154 3.886435 ESP Fit Center 8475 is at -5.736100 1.551431 3.886435 ESP Fit Center 8476 is at -6.014394 1.232898 3.886435 ESP Fit Center 8477 is at -6.231339 0.869792 3.886435 ESP Fit Center 8478 is at -6.379963 0.473785 3.886435 ESP Fit Center 8479 is at -6.455489 0.057604 3.886435 ESP Fit Center 8480 is at -6.455489 -0.365375 3.886435 ESP Fit Center 8481 is at -6.379963 -0.781556 3.886435 ESP Fit Center 8482 is at -6.231339 -1.177563 3.886435 ESP Fit Center 8483 is at -6.014394 -1.540669 3.886435 ESP Fit Center 8484 is at -5.736100 -1.859202 3.886435 ESP Fit Center 8485 is at -5.405402 -2.122925 3.886435 ESP Fit Center 8486 is at -5.032928 -2.323361 3.886435 ESP Fit Center 8487 is at -4.630652 -2.454069 3.886435 ESP Fit Center 8488 is at -4.211501 -2.510846 3.886435 ESP Fit Center 8489 is at -3.788949 -2.491870 3.886435 ESP Fit Center 8490 is at -3.376575 -2.397748 3.886435 ESP Fit Center 8491 is at -1.784229 -0.575161 3.886435 ESP Fit Center 8492 is at -1.401838 -0.153885 3.659049 ESP Fit Center 8493 is at -1.433525 0.258850 3.659049 ESP Fit Center 8494 is at -1.527845 0.661910 3.659049 ESP Fit Center 8495 is at -1.682587 1.045850 3.659049 ESP Fit Center 8496 is at -1.894123 1.401668 3.659049 ESP Fit Center 8497 is at -2.157495 1.721026 3.659049 ESP Fit Center 8498 is at -2.466530 1.996437 3.659049 ESP Fit Center 8499 is at -2.813985 2.221447 3.659049 ESP Fit Center 8500 is at -3.191716 2.390781 3.659049 ESP Fit Center 8501 is at -3.590868 2.500470 3.659049 ESP Fit Center 8502 is at -4.002087 2.547943 3.659049 ESP Fit Center 8503 is at -4.415733 2.532087 3.659049 ESP Fit Center 8504 is at -4.822110 2.453275 3.659049 ESP Fit Center 8505 is at -5.211695 2.313353 3.659049 ESP Fit Center 8506 is at -5.575355 2.115601 3.659049 ESP Fit Center 8507 is at -5.904566 1.864654 3.659049 ESP Fit Center 8508 is at -6.191612 1.566395 3.659049 ESP Fit Center 8509 is at -6.429765 1.227813 3.659049 ESP Fit Center 8510 is at -6.613442 0.856846 3.659049 ESP Fit Center 8511 is at -6.738340 0.462188 3.659049 ESP Fit Center 8512 is at -6.801529 0.053089 3.659049 ESP Fit Center 8513 is at -6.801529 -0.360860 3.659049 ESP Fit Center 8514 is at -6.738340 -0.769958 3.659049 ESP Fit Center 8515 is at -6.613442 -1.164617 3.659049 ESP Fit Center 8516 is at -6.429765 -1.535584 3.659049 ESP Fit Center 8517 is at -6.191612 -1.874165 3.659049 ESP Fit Center 8518 is at -5.904566 -2.172425 3.659049 ESP Fit Center 8519 is at -5.575355 -2.423372 3.659049 ESP Fit Center 8520 is at -5.211695 -2.621124 3.659049 ESP Fit Center 8521 is at -4.822110 -2.761046 3.659049 ESP Fit Center 8522 is at -4.415733 -2.839858 3.659049 ESP Fit Center 8523 is at -4.002087 -2.855713 3.659049 ESP Fit Center 8524 is at -1.107321 0.258225 3.401700 ESP Fit Center 8525 is at -1.191363 0.662659 3.401700 ESP Fit Center 8526 is at -1.329693 1.051883 3.401700 ESP Fit Center 8527 is at -1.519734 1.418645 3.401700 ESP Fit Center 8528 is at -1.757946 1.756114 3.401700 ESP Fit Center 8529 is at -2.039891 2.058003 3.401700 ESP Fit Center 8530 is at -2.360317 2.318689 3.401700 ESP Fit Center 8531 is at -2.713255 2.533315 3.401700 ESP Fit Center 8532 is at -3.092131 2.697884 3.401700 ESP Fit Center 8533 is at -3.489887 2.809330 3.401700 ESP Fit Center 8534 is at -3.899113 2.865577 3.401700 ESP Fit Center 8535 is at -4.312187 2.865577 3.401700 ESP Fit Center 8536 is at -4.721413 2.809330 3.401700 ESP Fit Center 8537 is at -5.119169 2.697884 3.401700 ESP Fit Center 8538 is at -5.498045 2.533315 3.401700 ESP Fit Center 8539 is at -5.850984 2.318689 3.401700 ESP Fit Center 8540 is at -6.171410 2.058003 3.401700 ESP Fit Center 8541 is at -6.453354 1.756114 3.401700 ESP Fit Center 8542 is at -6.691566 1.418645 3.401700 ESP Fit Center 8543 is at -6.881607 1.051883 3.401700 ESP Fit Center 8544 is at -7.019937 0.662659 3.401700 ESP Fit Center 8545 is at -7.103979 0.258225 3.401700 ESP Fit Center 8546 is at -7.132168 -0.153885 3.401700 ESP Fit Center 8547 is at -7.103979 -0.565996 3.401700 ESP Fit Center 8548 is at -7.019937 -0.970430 3.401700 ESP Fit Center 8549 is at -6.881607 -1.359654 3.401700 ESP Fit Center 8550 is at -6.691566 -1.726416 3.401700 ESP Fit Center 8551 is at -6.453354 -2.063885 3.401700 ESP Fit Center 8552 is at -6.171410 -2.365774 3.401700 ESP Fit Center 8553 is at -5.850984 -2.626460 3.401700 ESP Fit Center 8554 is at -5.498045 -2.841086 3.401700 ESP Fit Center 8555 is at -5.119169 -3.005655 3.401700 ESP Fit Center 8556 is at -4.721413 -3.117101 3.401700 ESP Fit Center 8557 is at -4.312187 -3.173348 3.401700 ESP Fit Center 8558 is at -0.807011 0.262830 3.116459 ESP Fit Center 8559 is at -0.885250 0.672973 3.116459 ESP Fit Center 8560 is at -1.014277 1.070076 3.116459 ESP Fit Center 8561 is at -1.192056 1.447876 3.116459 ESP Fit Center 8562 is at -1.415785 1.800416 3.116459 ESP Fit Center 8563 is at -1.681934 2.122135 3.116459 ESP Fit Center 8564 is at -1.986307 2.407960 3.116459 ESP Fit Center 8565 is at -2.324103 2.653384 3.116459 ESP Fit Center 8566 is at -2.689995 2.854535 3.116459 ESP Fit Center 8567 is at -3.078213 3.008241 3.116459 ESP Fit Center 8568 is at -3.482634 3.112079 3.116459 ESP Fit Center 8569 is at -3.896881 3.164410 3.116459 ESP Fit Center 8570 is at -4.314420 3.164410 3.116459 ESP Fit Center 8571 is at -4.728666 3.112079 3.116459 ESP Fit Center 8572 is at -5.133087 3.008241 3.116459 ESP Fit Center 8573 is at -5.521305 2.854535 3.116459 ESP Fit Center 8574 is at -5.887197 2.653384 3.116459 ESP Fit Center 8575 is at -6.224993 2.407960 3.116459 ESP Fit Center 8576 is at -6.529366 2.122135 3.116459 ESP Fit Center 8577 is at -6.795515 1.800416 3.116459 ESP Fit Center 8578 is at -7.019244 1.447876 3.116459 ESP Fit Center 8579 is at -7.197023 1.070076 3.116459 ESP Fit Center 8580 is at -7.326050 0.672973 3.116459 ESP Fit Center 8581 is at -7.404289 0.262830 3.116459 ESP Fit Center 8582 is at -7.430506 -0.153885 3.116459 ESP Fit Center 8583 is at -7.404289 -0.570600 3.116459 ESP Fit Center 8584 is at -7.326050 -0.980744 3.116459 ESP Fit Center 8585 is at -7.197023 -1.377847 3.116459 ESP Fit Center 8586 is at -7.019244 -1.755647 3.116459 ESP Fit Center 8587 is at -6.795515 -2.108187 3.116459 ESP Fit Center 8588 is at -6.529366 -2.429906 3.116459 ESP Fit Center 8589 is at -6.224993 -2.715731 3.116459 ESP Fit Center 8590 is at -5.887197 -2.961154 3.116459 ESP Fit Center 8591 is at -5.521305 -3.162305 3.116459 ESP Fit Center 8592 is at -5.133087 -3.316012 3.116459 ESP Fit Center 8593 is at -4.728666 -3.419849 3.116459 ESP Fit Center 8594 is at -4.314420 -3.472181 3.116459 ESP Fit Center 8595 is at -1.958014 2.730890 2.805624 ESP Fit Center 8596 is at -2.307438 2.960710 2.805624 ESP Fit Center 8597 is at -2.681179 3.148410 2.805624 ESP Fit Center 8598 is at -3.074184 3.291452 2.805624 ESP Fit Center 8599 is at -3.481137 3.387902 2.805624 ESP Fit Center 8600 is at -3.896537 3.436455 2.805624 ESP Fit Center 8601 is at -4.314764 3.436455 2.805624 ESP Fit Center 8602 is at -4.730163 3.387902 2.805624 ESP Fit Center 8603 is at -5.137116 3.291452 2.805624 ESP Fit Center 8604 is at -5.530121 3.148410 2.805624 ESP Fit Center 8605 is at -5.903862 2.960710 2.805624 ESP Fit Center 8606 is at -6.253286 2.730890 2.805624 ESP Fit Center 8607 is at -6.573667 2.462059 2.805624 ESP Fit Center 8608 is at -6.860671 2.157852 2.805624 ESP Fit Center 8609 is at -7.110419 1.822382 2.805624 ESP Fit Center 8610 is at -7.319533 1.460187 2.805624 ESP Fit Center 8611 is at -7.485184 1.076164 2.805624 ESP Fit Center 8612 is at -7.605133 0.675507 2.805624 ESP Fit Center 8613 is at -7.677757 0.263634 2.805624 ESP Fit Center 8614 is at -7.702075 -0.153885 2.805624 ESP Fit Center 8615 is at -7.677757 -0.571405 2.805624 ESP Fit Center 8616 is at -7.605133 -0.983278 2.805624 ESP Fit Center 8617 is at -7.485184 -1.383935 2.805624 ESP Fit Center 8618 is at -7.319533 -1.767958 2.805624 ESP Fit Center 8619 is at -7.110419 -2.130153 2.805624 ESP Fit Center 8620 is at -6.860671 -2.465623 2.805624 ESP Fit Center 8621 is at -6.573667 -2.769830 2.805624 ESP Fit Center 8622 is at -6.253286 -3.038661 2.805624 ESP Fit Center 8623 is at -5.903862 -3.268481 2.805624 ESP Fit Center 8624 is at -5.530121 -3.456181 2.805624 ESP Fit Center 8625 is at -5.137116 -3.599223 2.805624 ESP Fit Center 8626 is at -4.730163 -3.695672 2.805624 ESP Fit Center 8627 is at -4.314764 -3.744226 2.805624 ESP Fit Center 8628 is at -2.684676 3.412491 2.471697 ESP Fit Center 8629 is at -3.078599 3.545219 2.471697 ESP Fit Center 8630 is at -3.484563 3.634578 2.471697 ESP Fit Center 8631 is at -3.897809 3.679521 2.471697 ESP Fit Center 8632 is at -4.313491 3.679521 2.471697 ESP Fit Center 8633 is at -4.726737 3.634578 2.471697 ESP Fit Center 8634 is at -5.132701 3.545219 2.471697 ESP Fit Center 8635 is at -5.526624 3.412491 2.471697 ESP Fit Center 8636 is at -5.903887 3.237950 2.471697 ESP Fit Center 8637 is at -6.260068 3.023643 2.471697 ESP Fit Center 8638 is at -6.590990 2.772083 2.471697 ESP Fit Center 8639 is at -6.892774 2.486218 2.471697 ESP Fit Center 8640 is at -7.161881 2.169401 2.471697 ESP Fit Center 8641 is at -7.395156 1.825345 2.471697 ESP Fit Center 8642 is at -7.589866 1.458084 2.471697 ESP Fit Center 8643 is at -7.743726 1.071925 2.471697 ESP Fit Center 8644 is at -7.854932 0.671394 2.471697 ESP Fit Center 8645 is at -7.922182 0.261188 2.471697 ESP Fit Center 8646 is at -7.944687 -0.153885 2.471697 ESP Fit Center 8647 is at -7.922182 -0.568958 2.471697 ESP Fit Center 8648 is at -7.854932 -0.979165 2.471697 ESP Fit Center 8649 is at -7.743726 -1.379696 2.471697 ESP Fit Center 8650 is at -7.589866 -1.765855 2.471697 ESP Fit Center 8651 is at -7.395156 -2.133116 2.471697 ESP Fit Center 8652 is at -7.161881 -2.477172 2.471697 ESP Fit Center 8653 is at -6.892774 -2.793989 2.471697 ESP Fit Center 8654 is at -6.590990 -3.079854 2.471697 ESP Fit Center 8655 is at -6.260068 -3.331414 2.471697 ESP Fit Center 8656 is at -5.903887 -3.545721 2.471697 ESP Fit Center 8657 is at -5.526624 -3.720261 2.471697 ESP Fit Center 8658 is at -5.132701 -3.852989 2.471697 ESP Fit Center 8659 is at -4.726737 -3.942349 2.471697 ESP Fit Center 8660 is at -4.313491 -3.987292 2.471697 ESP Fit Center 8661 is at -2.774810 3.671994 2.117367 ESP Fit Center 8662 is at -3.175245 3.788555 2.117367 ESP Fit Center 8663 is at -3.585542 3.863325 2.117367 ESP Fit Center 8664 is at -4.001352 3.895511 2.117367 ESP Fit Center 8665 is at -4.418268 3.884773 2.117367 ESP Fit Center 8666 is at -4.831870 3.831224 2.117367 ESP Fit Center 8667 is at -5.237774 3.735432 2.117367 ESP Fit Center 8668 is at -5.631677 3.598412 2.117367 ESP Fit Center 8669 is at -6.009403 3.421616 2.117367 ESP Fit Center 8670 is at -6.366950 3.206920 2.117367 ESP Fit Center 8671 is at -6.700526 2.956598 2.117367 ESP Fit Center 8672 is at -7.006596 2.673305 2.117367 ESP Fit Center 8673 is at -7.281915 2.360042 2.117367 ESP Fit Center 8674 is at -7.523565 2.020131 2.117367 ESP Fit Center 8675 is at -7.728984 1.657175 2.117367 ESP Fit Center 8676 is at -7.895995 1.275021 2.117367 ESP Fit Center 8677 is at -8.022827 0.877721 2.117367 ESP Fit Center 8678 is at -8.108137 0.469485 2.117367 ESP Fit Center 8679 is at -8.151019 0.054642 2.117367 ESP Fit Center 8680 is at -8.151019 -0.362412 2.117367 ESP Fit Center 8681 is at -8.108137 -0.777256 2.117367 ESP Fit Center 8682 is at -8.022827 -1.185492 2.117367 ESP Fit Center 8683 is at -7.895995 -1.582792 2.117367 ESP Fit Center 8684 is at -7.728984 -1.964946 2.117367 ESP Fit Center 8685 is at -7.523565 -2.327902 2.117367 ESP Fit Center 8686 is at -7.281915 -2.667813 2.117367 ESP Fit Center 8687 is at -7.006596 -2.981075 2.117367 ESP Fit Center 8688 is at -6.700526 -3.264369 2.117367 ESP Fit Center 8689 is at -6.366950 -3.514691 2.117367 ESP Fit Center 8690 is at 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Fit Center 8837 is at -4.828984 -4.654498 0.555044 ESP Fit Center 8838 is at -4.416724 -4.701628 0.555044 ESP Fit Center 8839 is at -4.001887 -4.711073 0.555044 ESP Fit Center 8840 is at -3.583707 4.411745 0.143949 ESP Fit Center 8841 is at -4.001045 4.440292 0.143949 ESP Fit Center 8842 is at -4.419249 4.430770 0.143949 ESP Fit Center 8843 is at -4.834855 4.383258 0.143949 ESP Fit Center 8844 is at -5.244418 4.298150 0.143949 ESP Fit Center 8845 is at -5.644545 4.176150 0.143949 ESP Fit Center 8846 is at -6.031920 4.018271 0.143949 ESP Fit Center 8847 is at -6.403334 3.825820 0.143949 ESP Fit Center 8848 is at -6.755708 3.600392 0.143949 ESP Fit Center 8849 is at -7.086124 3.343855 0.143949 ESP Fit Center 8850 is at -7.391841 3.058334 0.143949 ESP Fit Center 8851 is at -7.670329 2.746196 0.143949 ESP Fit Center 8852 is at -7.919278 2.410027 0.143949 ESP Fit Center 8853 is at -8.136627 2.052612 0.143949 ESP Fit Center 8854 is at -8.320574 1.676914 0.143949 ESP Fit Center 8855 is at 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3.032471 -0.679902 ESP Fit Center 8928 is at -7.641628 2.722846 -0.679902 ESP Fit Center 8929 is at -7.888573 2.389384 -0.679902 ESP Fit Center 8930 is at -8.104172 2.034847 -0.679902 ESP Fit Center 8931 is at -8.286638 1.662174 -0.679902 ESP Fit Center 8932 is at -8.434458 1.274452 -0.679902 ESP Fit Center 8933 is at -8.546409 0.874895 -0.679902 ESP Fit Center 8934 is at -8.621562 0.466812 -0.679902 ESP Fit Center 8935 is at -8.659295 0.053587 -0.679902 ESP Fit Center 8936 is at -8.659295 -0.361358 -0.679902 ESP Fit Center 8937 is at -8.621562 -0.774583 -0.679902 ESP Fit Center 8938 is at -8.546409 -1.182665 -0.679902 ESP Fit Center 8939 is at -8.434458 -1.582223 -0.679902 ESP Fit Center 8940 is at -8.286638 -1.969945 -0.679902 ESP Fit Center 8941 is at -8.104172 -2.342618 -0.679902 ESP Fit Center 8942 is at -7.888573 -2.697155 -0.679902 ESP Fit Center 8943 is at -7.641628 -3.030617 -0.679902 ESP Fit Center 8944 is at -7.365383 -3.340242 -0.679902 ESP Fit Center 8945 is at -7.062126 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3.659057 -1.086025 ESP Fit Center 8964 is at -6.808267 3.424957 -1.086025 ESP Fit Center 8965 is at -7.126952 3.160325 -1.086025 ESP Fit Center 8966 is at -7.419860 2.867416 -1.086025 ESP Fit Center 8967 is at -7.684493 2.548731 -1.086025 ESP Fit Center 8968 is at -7.918592 2.206988 -1.086025 ESP Fit Center 8969 is at -8.120161 1.845103 -1.086025 ESP Fit Center 8970 is at -8.287479 1.466164 -1.086025 ESP Fit Center 8971 is at -8.419119 1.073402 -1.086025 ESP Fit Center 8972 is at -8.513958 0.670170 -1.086025 ESP Fit Center 8973 is at -8.571188 0.259908 -1.086025 ESP Fit Center 8974 is at -8.590318 -0.153885 -1.086025 ESP Fit Center 8975 is at -8.571188 -0.567678 -1.086025 ESP Fit Center 8976 is at -8.513958 -0.977941 -1.086025 ESP Fit Center 8977 is at -8.419119 -1.381173 -1.086025 ESP Fit Center 8978 is at -8.287479 -1.773934 -1.086025 ESP Fit Center 8979 is at -8.120161 -2.152874 -1.086025 ESP Fit Center 8980 is at -7.918592 -2.514759 -1.086025 ESP Fit Center 8981 is at -7.684493 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at -2.328901 -1.706184 -4.011293 ESP Fit Center 9324 is at -2.080280 -1.363987 -4.011293 ESP Fit Center 9325 is at -1.896757 -0.982897 -4.011293 ESP Fit Center 9326 is at -1.784229 -0.575161 -4.011293 ESP Fit Center 9327 is at -2.109785 -0.153885 -4.206886 ESP Fit Center 9328 is at -2.153399 0.261078 -4.206886 ESP Fit Center 9329 is at -2.282336 0.657906 -4.206886 ESP Fit Center 9330 is at -2.490961 1.019255 -4.206886 ESP Fit Center 9331 is at -2.770156 1.329332 -4.206886 ESP Fit Center 9332 is at -3.107717 1.574585 -4.206886 ESP Fit Center 9333 is at -3.488894 1.744295 -4.206886 ESP Fit Center 9334 is at -3.897025 1.831046 -4.206886 ESP Fit Center 9335 is at -4.314275 1.831046 -4.206886 ESP Fit Center 9336 is at -4.722406 1.744295 -4.206886 ESP Fit Center 9337 is at -5.103583 1.574585 -4.206886 ESP Fit Center 9338 is at -5.441145 1.329332 -4.206886 ESP Fit Center 9339 is at -5.720339 1.019255 -4.206886 ESP Fit Center 9340 is at -5.928964 0.657906 -4.206886 ESP Fit Center 9341 is at -6.057901 0.261078 -4.206886 ESP Fit Center 9342 is at -6.101515 -0.153885 -4.206886 ESP Fit Center 9343 is at -6.057901 -0.568849 -4.206886 ESP Fit Center 9344 is at -5.928964 -0.965677 -4.206886 ESP Fit Center 9345 is at -5.720339 -1.327026 -4.206886 ESP Fit Center 9346 is at -5.441145 -1.637102 -4.206886 ESP Fit Center 9347 is at -5.103583 -1.882355 -4.206886 ESP Fit Center 9348 is at -4.722406 -2.052066 -4.206886 ESP Fit Center 9349 is at -4.314275 -2.138817 -4.206886 ESP Fit Center 9350 is at -3.897025 -2.138817 -4.206886 ESP Fit Center 9351 is at -3.488894 -2.052066 -4.206886 ESP Fit Center 9352 is at -3.107717 -1.882355 -4.206886 ESP Fit Center 9353 is at -2.770156 -1.637102 -4.206886 ESP Fit Center 9354 is at -2.490961 -1.327026 -4.206886 ESP Fit Center 9355 is at -2.282336 -0.965677 -4.206886 ESP Fit Center 9356 is at -2.153399 -0.568849 -4.206886 ESP Fit Center 9357 is at -2.489326 -0.153885 -4.369109 ESP Fit Center 9358 is at -2.544401 0.264450 -4.369109 ESP Fit Center 9359 is at -2.705872 0.654277 -4.369109 ESP Fit Center 9360 is at -2.962736 0.989028 -4.369109 ESP Fit Center 9361 is at -3.297488 1.245892 -4.369109 ESP Fit Center 9362 is at -3.687315 1.407364 -4.369109 ESP Fit Center 9363 is at -4.105650 1.462439 -4.369109 ESP Fit Center 9364 is at -4.523986 1.407364 -4.369109 ESP Fit Center 9365 is at -4.913812 1.245892 -4.369109 ESP Fit Center 9366 is at -5.248564 0.989028 -4.369109 ESP Fit Center 9367 is at -5.505428 0.654277 -4.369109 ESP Fit Center 9368 is at -5.666899 0.264450 -4.369109 ESP Fit Center 9369 is at -5.721974 -0.153885 -4.369109 ESP Fit Center 9370 is at -5.666899 -0.572221 -4.369109 ESP Fit Center 9371 is at -5.505428 -0.962047 -4.369109 ESP Fit Center 9372 is at -5.248564 -1.296799 -4.369109 ESP Fit Center 9373 is at -4.913812 -1.553663 -4.369109 ESP Fit Center 9374 is at -4.523986 -1.715135 -4.369109 ESP Fit Center 9375 is at -4.105650 -1.770210 -4.369109 ESP Fit Center 9376 is at -3.687315 -1.715135 -4.369109 ESP Fit Center 9377 is at -3.297488 -1.553663 -4.369109 ESP Fit Center 9378 is at -2.962736 -1.296799 -4.369109 ESP Fit Center 9379 is at -2.705872 -0.962047 -4.369109 ESP Fit Center 9380 is at -2.544401 -0.572221 -4.369109 ESP Fit Center 9381 is at -2.881881 -0.153885 -4.496658 ESP Fit Center 9382 is at -2.955683 0.264668 -4.496658 ESP Fit Center 9383 is at -3.168188 0.632738 -4.496658 ESP Fit Center 9384 is at -3.493765 0.905930 -4.496658 ESP Fit Center 9385 is at -3.893145 1.051292 -4.496658 ESP Fit Center 9386 is at -4.318155 1.051292 -4.496658 ESP Fit Center 9387 is at -4.717535 0.905930 -4.496658 ESP Fit Center 9388 is at -5.043112 0.632738 -4.496658 ESP Fit Center 9389 is at -5.255617 0.264668 -4.496658 ESP Fit Center 9390 is at -5.329420 -0.153885 -4.496658 ESP Fit Center 9391 is at -5.255617 -0.572439 -4.496658 ESP Fit Center 9392 is at -5.043112 -0.940509 -4.496658 ESP Fit Center 9393 is at -4.717535 -1.213701 -4.496658 ESP Fit Center 9394 is at -4.318155 -1.359063 -4.496658 ESP Fit Center 9395 is at -3.893145 -1.359063 -4.496658 ESP Fit Center 9396 is at -3.493765 -1.213701 -4.496658 ESP Fit Center 9397 is at -3.168188 -0.940509 -4.496658 ESP Fit Center 9398 is at -2.955683 -0.572439 -4.496658 ESP Fit Center 9399 is at -3.284288 -0.153885 -4.588505 ESP Fit Center 9400 is at -3.394330 0.256795 -4.588505 ESP Fit Center 9401 is at -3.694969 0.557435 -4.588505 ESP Fit Center 9402 is at -4.105650 0.667476 -4.588505 ESP Fit Center 9403 is at -4.516331 0.557435 -4.588505 ESP Fit Center 9404 is at -4.816970 0.256795 -4.588505 ESP Fit Center 9405 is at -4.927012 -0.153885 -4.588505 ESP Fit Center 9406 is at -4.816970 -0.564566 -4.588505 ESP Fit Center 9407 is at -4.516331 -0.865206 -4.588505 ESP Fit Center 9408 is at -4.105650 -0.975247 -4.588505 ESP Fit Center 9409 is at -3.694969 -0.865206 -4.588505 ESP Fit Center 9410 is at -3.394330 -0.564566 -4.588505 ESP Fit Center 9411 is at -3.693309 -0.153885 -4.643911 ESP Fit Center 9412 is at -3.899480 0.203212 -4.643911 ESP Fit Center 9413 is at -4.311820 0.203212 -4.643911 ESP Fit Center 9414 is at -4.517991 -0.153885 -4.643911 ESP Fit Center 9415 is at -4.311820 -0.510983 -4.643911 ESP Fit Center 9416 is at -3.899480 -0.510983 -4.643911 ESP Fit Center 9417 is at -4.105650 -0.153885 -4.662429 ESP Fit Center 9418 is at 3.314712 3.575663 2.114498 ESP Fit Center 9419 is at 2.995459 3.843548 2.114498 ESP Fit Center 9420 is at 3.880942 3.220530 1.874543 ESP Fit Center 9421 is at 3.713563 3.605875 1.874543 ESP Fit Center 9422 is at 3.448427 3.931771 1.874543 ESP Fit Center 9423 is at 3.105197 4.174050 1.874543 ESP Fit Center 9424 is at 2.709328 4.314741 1.874543 ESP Fit Center 9425 is at 4.184408 3.228306 1.578727 ESP Fit Center 9426 is at 4.038408 3.629438 1.578727 ESP Fit Center 9427 is at 3.803836 3.986087 1.578727 ESP Fit Center 9428 is at 3.493339 4.279026 1.578727 ESP Fit Center 9429 is at 3.123654 4.492464 1.578727 ESP Fit Center 9430 is at 2.714712 4.614893 1.578727 ESP Fit Center 9431 is at 4.431373 3.222709 1.236037 ESP Fit Center 9432 is at 4.305477 3.623971 1.236037 ESP Fit Center 9433 is at 4.101383 3.991676 1.236037 ESP Fit Center 9434 is at 3.827450 4.310771 1.236037 ESP Fit Center 9435 is at 3.494890 4.568192 1.236037 ESP Fit Center 9436 is at 3.117319 4.753399 1.236037 ESP Fit Center 9437 is at 2.710195 4.858810 1.236037 ESP Fit Center 9438 is at 4.489172 3.642514 0.856885 ESP Fit Center 9439 is at 4.292706 4.023604 0.856885 ESP Fit Center 9440 is at 4.027669 4.360627 0.856885 ESP Fit Center 9441 is at 3.703639 4.641400 0.856885 ESP Fit Center 9442 is at 3.332328 4.855776 0.856885 ESP Fit Center 9443 is at 2.927157 4.996008 0.856885 ESP Fit Center 9444 is at 4.608286 3.634806 0.452792 ESP Fit Center 9445 is at 4.424436 4.016575 0.452792 ESP Fit Center 9446 is at 4.175372 4.359381 0.452792 ESP Fit Center 9447 is at 3.869101 4.652207 0.452792 ESP Fit Center 9448 is at 3.515466 4.885639 0.452792 ESP Fit Center 9449 is at 3.125832 5.052176 0.452792 ESP Fit Center 9450 is at 2.712724 5.146466 0.452792 ESP Fit Center 9451 is at 4.650721 3.625166 0.036037 ESP Fit Center 9452 is at 4.473920 4.004318 0.036037 ESP Fit Center 9453 is at 4.233965 4.347008 0.036037 ESP Fit Center 9454 is at 3.938149 4.642824 0.036037 ESP Fit Center 9455 is at 3.595459 4.882779 0.036037 ESP Fit Center 9456 is at 3.216307 5.059580 0.036037 ESP Fit Center 9457 is at 2.812214 5.167856 0.036037 ESP Fit Center 9458 is at 4.608286 3.634806 -0.380719 ESP Fit Center 9459 is at 4.424436 4.016575 -0.380719 ESP Fit Center 9460 is at 4.175372 4.359381 -0.380719 ESP Fit Center 9461 is at 3.869101 4.652207 -0.380719 ESP Fit Center 9462 is at 3.515466 4.885639 -0.380719 ESP Fit Center 9463 is at 3.125832 5.052176 -0.380719 ESP Fit Center 9464 is at 2.712724 5.146466 -0.380719 ESP Fit Center 9465 is at 4.609965 3.231129 -0.784812 ESP Fit Center 9466 is at 4.489172 3.642514 -0.784812 ESP Fit Center 9467 is at 4.292706 4.023604 -0.784812 ESP Fit Center 9468 is at 4.027669 4.360627 -0.784812 ESP Fit Center 9469 is at 3.703639 4.641400 -0.784812 ESP Fit Center 9470 is at 3.332328 4.855776 -0.784812 ESP Fit Center 9471 is at 2.927157 4.996008 -0.784812 ESP Fit Center 9472 is at 4.431373 3.222709 -1.163963 ESP Fit Center 9473 is at 4.305477 3.623971 -1.163963 ESP Fit Center 9474 is at 4.101383 3.991676 -1.163963 ESP Fit Center 9475 is at 3.827450 4.310771 -1.163963 ESP Fit Center 9476 is at 3.494890 4.568192 -1.163963 ESP Fit Center 9477 is at 3.117319 4.753399 -1.163963 ESP Fit Center 9478 is at 2.710195 4.858810 -1.163963 ESP Fit Center 9479 is at 4.184408 3.228306 -1.506654 ESP Fit Center 9480 is at 4.038408 3.629438 -1.506654 ESP Fit Center 9481 is at 3.803836 3.986087 -1.506654 ESP Fit Center 9482 is at 3.493339 4.279026 -1.506654 ESP Fit Center 9483 is at 3.123654 4.492464 -1.506654 ESP Fit Center 9484 is at 2.714712 4.614893 -1.506654 ESP Fit Center 9485 is at 3.880942 3.220530 -1.802470 ESP Fit Center 9486 is at 3.713563 3.605875 -1.802470 ESP Fit Center 9487 is at 3.448427 3.931771 -1.802470 ESP Fit Center 9488 is at 3.105197 4.174050 -1.802470 ESP Fit Center 9489 is at 2.709328 4.314741 -1.802470 ESP Fit Center 9490 is at 3.314712 3.575663 -2.042424 ESP Fit Center 9491 is at 2.995459 3.843548 -2.042424 ESP Fit Center 9492 is at -3.726131 -3.019219 3.571190 ESP Fit Center 9493 is at -4.068537 -3.585155 3.035419 ESP Fit Center 9494 is at -4.079116 -3.891471 2.692729 ESP Fit Center 9495 is at 5.050599 -0.905540 2.959278 ESP Fit Center 9496 is at 5.459099 -0.905540 2.931336 ESP Fit Center 9497 is at 5.254849 -0.551768 2.931336 ESP Fit Center 9498 is at 4.846349 -0.551768 2.931336 ESP Fit Center 9499 is at 4.642099 -0.905540 2.931336 ESP Fit Center 9500 is at 4.846349 -1.259311 2.931336 ESP Fit Center 9501 is at 5.254849 -1.259311 2.931336 ESP Fit Center 9502 is at 4.645904 -0.204587 2.848030 ESP Fit Center 9503 is at 4.349646 -1.310235 2.848030 ESP Fit Center 9504 is at 4.645904 -1.606492 2.848030 ESP Fit Center 9505 is at 5.050599 -1.714930 2.848030 ESP Fit Center 9506 is at 5.455294 -1.606492 2.848030 ESP Fit Center 9507 is at 5.751551 -1.310235 2.848030 ESP Fit Center 9508 is at 4.135020 -1.673802 2.710912 ESP Fit Center 9509 is at 4.452997 -1.940616 2.710912 ESP Fit Center 9510 is at 4.843054 -2.082585 2.710912 ESP Fit Center 9511 is at 4.151697 -2.178993 2.522537 ESP Fit Center 9512 is at 4.944226 0.649578 -2.603980 ESP Fit Center 9513 is at 5.258144 0.271506 -2.792356 ESP Fit Center 9514 is at 4.843054 0.271506 -2.792356 ESP Fit Center 9515 is at 5.751551 -0.500845 -2.929474 ESP Fit Center 9516 is at 5.455294 -0.204587 -2.929474 ESP Fit Center 9517 is at 5.050599 -0.096149 -2.929474 ESP Fit Center 9518 is at 4.645904 -0.204587 -2.929474 ESP Fit Center 9519 is at 4.349646 -1.310235 -2.929474 ESP Fit Center 9520 is at 5.459099 -0.905540 -3.012779 ESP Fit Center 9521 is at 5.254849 -0.551768 -3.012779 ESP Fit Center 9522 is at 4.846349 -0.551768 -3.012779 ESP Fit Center 9523 is at 4.642099 -0.905540 -3.012779 ESP Fit Center 9524 is at 4.846349 -1.259311 -3.012779 ESP Fit Center 9525 is at 5.050599 -0.905540 -3.040722 ESP Fit Center 9526 is at 2.194257 -2.652149 1.644794 ESP Fit Center 9527 is at 2.567281 -2.845434 1.644794 ESP Fit Center 9528 is at 2.978620 -2.930911 1.644794 ESP Fit Center 9529 is at 1.822237 -2.729098 1.348977 ESP Fit Center 9530 is at 2.164643 -2.984010 1.348977 ESP Fit Center 9531 is at 2.556607 -3.153087 1.348977 ESP Fit Center 9532 is at 1.811658 -3.035414 1.006287 ESP Fit Center 9533 is at 2.168554 -3.257869 1.006287 ESP Fit Center 9534 is at 2.562925 -3.403928 1.006287 ESP Fit Center 9535 is at 1.956265 -3.344931 0.627135 ESP Fit Center 9536 is at 2.346272 -3.523042 0.627135 ESP Fit Center 9537 is at 2.154967 -3.565156 0.223043 ESP Fit Center 9538 is at 1.883896 -3.470278 -0.193713 ESP Fit Center 9539 is at 2.263048 -3.647079 -0.193713 ESP Fit Center 9540 is at 2.154967 -3.565156 -0.610469 ESP Fit Center 9541 is at 1.956265 -3.344931 -1.014561 ESP Fit Center 9542 is at 2.346272 -3.523042 -1.014561 ESP Fit Center 9543 is at 1.811658 -3.035414 -1.393713 ESP Fit Center 9544 is at 2.168554 -3.257869 -1.393713 ESP Fit Center 9545 is at 1.822237 -2.729098 -1.736403 ESP Fit Center 9546 is at 2.164643 -2.984010 -1.736403 ESP Fit Center 9547 is at 2.556607 -3.153087 -1.736403 ESP Fit Center 9548 is at 1.887214 -2.365390 -2.032220 ESP Fit Center 9549 is at 2.194257 -2.652149 -2.032220 ESP Fit Center 9550 is at 2.567281 -2.845434 -2.032220 ESP Fit Center 9551 is at 2.164643 -2.163162 -2.272174 ESP Fit Center 9552 is at 2.483896 -2.431047 -2.272174 ESP Fit Center 9553 is at 2.875519 -2.573586 -2.272174 ESP Fit Center 9554 is at 2.373021 -1.802241 -2.448975 ESP Fit Center 9555 is at 2.673472 -2.102693 -2.448975 ESP Fit Center 9556 is at 5.900615 0.432519 3.091158 ESP Fit Center 9557 is at 5.696365 0.078747 3.091158 ESP Fit Center 9558 is at 6.104865 0.888138 3.007852 ESP Fit Center 9559 is at 5.700169 0.779700 3.007852 ESP Fit Center 9560 is at 5.403912 0.483442 3.007852 ESP Fit Center 9561 is at 5.295474 0.078747 3.007852 ESP Fit Center 9562 is at 5.403912 -0.325948 3.007852 ESP Fit Center 9563 is at 6.312409 1.255793 2.870734 ESP Fit Center 9564 is at 5.897320 1.255793 2.870734 ESP Fit Center 9565 is at 5.507263 1.113824 2.870734 ESP Fit Center 9566 is at 5.189286 0.847009 2.870734 ESP Fit Center 9567 is at 4.981741 0.487531 2.870734 ESP Fit Center 9568 is at 4.909661 0.078747 2.870734 ESP Fit Center 9569 is at 6.821992 1.462740 2.682358 ESP Fit Center 9570 is at 6.422002 1.604896 2.682358 ESP Fit Center 9571 is at 5.998492 1.633865 2.682358 ESP Fit Center 9572 is at 5.582870 1.547498 2.682358 ESP Fit Center 9573 is at 5.205963 1.352201 2.682358 ESP Fit Center 9574 is at 4.895723 1.062457 2.682358 ESP Fit Center 9575 is at 6.991685 1.751469 2.446234 ESP Fit Center 9576 is at 6.611366 1.903002 2.446234 ESP Fit Center 9577 is at 7.376644 1.864711 2.166760 ESP Fit Center 9578 is at 7.015665 2.073123 2.166760 ESP Fit Center 9579 is at 8.011760 1.618458 1.849141 ESP Fit Center 9580 is at 7.724119 1.918577 1.849141 ESP Fit Center 9581 is at 7.389894 2.165768 1.849141 ESP Fit Center 9582 is at 7.018702 2.352919 1.849141 ESP Fit Center 9583 is at 8.259807 1.644405 1.499295 ESP Fit Center 9584 is at 7.988354 1.962236 1.499295 ESP Fit Center 9585 is at 7.670522 2.233690 1.499295 ESP Fit Center 9586 is at 7.314139 2.452082 1.499295 ESP Fit Center 9587 is at 8.664370 1.278594 1.123739 ESP Fit Center 9588 is at 8.462395 1.638475 1.123739 ESP Fit Center 9589 is at 8.210174 1.965113 1.123739 ESP Fit Center 9590 is at 7.913081 2.251546 1.123739 ESP Fit Center 9591 is at 7.577450 2.491669 1.123739 ESP Fit Center 9592 is at 8.928333 0.888364 0.729468 ESP Fit Center 9593 is at 8.788178 1.273435 0.729468 ESP Fit Center 9594 is at 8.595796 1.635254 0.729468 ESP Fit Center 9595 is at 8.354930 1.966777 0.729468 ESP Fit Center 9596 is at 8.070270 2.261551 0.729468 ESP Fit Center 9597 is at 7.747355 2.513840 0.729468 ESP Fit Center 9598 is at 7.392471 2.718732 0.729468 ESP Fit Center 9599 is at 9.097871 0.078747 0.323827 ESP Fit Center 9600 is at 9.068743 0.495293 0.323827 ESP Fit Center 9601 is at 8.981927 0.903732 0.323827 ESP Fit Center 9602 is at 8.839112 1.296113 0.323827 ESP Fit Center 9603 is at 8.643078 1.664799 0.323827 ESP Fit Center 9604 is at 8.397640 2.002615 0.323827 ESP Fit Center 9605 is at 8.107577 2.302984 0.323827 ESP Fit Center 9606 is at 7.778532 2.560062 0.323827 ESP Fit Center 9607 is at 7.416912 2.768843 0.323827 ESP Fit Center 9608 is at 9.097871 0.078747 -0.085627 ESP Fit Center 9609 is at 9.068743 0.495293 -0.085627 ESP Fit Center 9610 is at 8.981927 0.903732 -0.085627 ESP Fit Center 9611 is at 8.839112 1.296113 -0.085627 ESP Fit Center 9612 is at 8.643078 1.664799 -0.085627 ESP Fit Center 9613 is at 8.397640 2.002615 -0.085627 ESP Fit Center 9614 is at 8.107577 2.302984 -0.085627 ESP Fit Center 9615 is at 7.778532 2.560062 -0.085627 ESP Fit Center 9616 is at 7.416912 2.768843 -0.085627 ESP Fit Center 9617 is at 8.643078 -1.507304 -0.085627 ESP Fit Center 9618 is at 8.839112 -1.138618 -0.085627 ESP Fit Center 9619 is at 8.981927 -0.746237 -0.085627 ESP Fit Center 9620 is at 9.068743 -0.337799 -0.085627 ESP Fit Center 9621 is at 8.595796 1.635254 -0.491268 ESP Fit Center 9622 is at 8.354930 1.966777 -0.491268 ESP Fit Center 9623 is at 8.070270 2.261551 -0.491268 ESP Fit Center 9624 is at 7.747355 2.513840 -0.491268 ESP Fit Center 9625 is at 7.392471 2.718732 -0.491268 ESP Fit Center 9626 is at 7.012525 2.872240 -0.491268 ESP Fit Center 9627 is at 8.595796 -1.477759 -0.491268 ESP Fit Center 9628 is at 8.788178 -1.115941 -0.491268 ESP Fit Center 9629 is at 8.928333 -0.730869 -0.491268 ESP Fit Center 9630 is at 7.913081 2.251546 -0.885539 ESP Fit Center 9631 is at 7.577450 2.491669 -0.885539 ESP Fit Center 9632 is at 7.210433 2.680366 -0.885539 ESP Fit Center 9633 is at 6.819852 2.813613 -0.885539 ESP Fit Center 9634 is at 7.314139 2.452082 -1.261095 ESP Fit Center 9635 is at 6.927979 2.612034 -1.261095 ESP Fit Center 9636 is at 6.521552 2.709609 -1.261095 ESP Fit Center 9637 is at 6.621220 2.474647 -1.610941 ESP Fit Center 9638 is at 6.208884 2.527449 -1.610941 ESP Fit Center 9639 is at 5.793555 2.509806 -1.610941 ESP Fit Center 9640 is at 6.209188 2.268772 -1.928559 ESP Fit Center 9641 is at 5.792838 2.248939 -1.928559 ESP Fit Center 9642 is at 5.387766 2.150669 -1.928559 ESP Fit Center 9643 is at 5.798569 1.947070 -2.208034 ESP Fit Center 9644 is at 5.404095 1.837545 -2.208034 ESP Fit Center 9645 is at 5.582870 1.547498 -2.444158 ESP Fit Center 9646 is at 5.205963 1.352201 -2.444158 ESP Fit Center 9647 is at 5.507263 1.113824 -2.632534 ESP Fit Center 9648 is at 5.189286 0.847009 -2.632534 ESP Fit Center 9649 is at 4.662358 -2.277641 2.656481 ESP Fit Center 9650 is at 4.770795 -2.682336 2.656481 ESP Fit Center 9651 is at 4.276545 -2.277641 2.519363 ESP Fit Center 9652 is at 4.348624 -2.686425 2.519363 ESP Fit Center 9653 is at 4.556169 -3.045903 2.519363 ESP Fit Center 9654 is at 3.927514 -2.489891 2.330987 ESP Fit Center 9655 is at 4.042043 -2.898649 2.330987 ESP Fit Center 9656 is at 4.262607 -3.261351 2.330987 ESP Fit Center 9657 is at 4.572846 -3.551094 2.330987 ESP Fit Center 9658 is at 3.677590 -2.882163 2.094863 ESP Fit Center 9659 is at 3.849491 -3.253720 2.094863 ESP Fit Center 9660 is at 4.097247 -3.579638 2.094863 ESP Fit Center 9661 is at 4.409273 -3.844675 2.094863 ESP Fit Center 9662 is at 4.770979 -4.036439 2.094863 ESP Fit Center 9663 is at 3.368052 -2.895342 1.815388 ESP Fit Center 9664 is at 3.522969 -3.282306 1.815388 ESP Fit Center 9665 is at 3.748320 -3.632959 1.815388 ESP Fit Center 9666 is at 4.035961 -3.934628 1.815388 ESP Fit Center 9667 is at 4.375494 -4.176409 1.815388 ESP Fit Center 9668 is at 4.754649 -4.349563 1.815388 ESP Fit Center 9669 is at 4.368339 -4.466122 1.497770 ESP Fit Center 9670 is at 4.754066 -4.621119 1.497770 ESP Fit Center 9671 is at 5.160439 -4.708699 1.497770 ESP Fit Center 9672 is at 4.648633 -4.810928 1.147924 ESP Fit Center 9673 is at 5.055060 -4.908503 1.147924 ESP Fit Center 9674 is at 5.471748 -4.941297 1.147924 ESP Fit Center 9675 is at 4.958300 -5.057402 0.772368 ESP Fit Center 9676 is at 5.368508 -5.102538 0.772368 ESP Fit Center 9677 is at 5.780917 -5.087466 0.772368 ESP Fit Center 9678 is at 6.186736 -5.012507 0.772368 ESP Fit Center 9679 is at 5.164721 -5.198803 0.378097 ESP Fit Center 9680 is at 5.574257 -5.213104 0.378097 ESP Fit Center 9681 is at 5.981796 -5.170270 0.378097 ESP Fit Center 9682 is at 6.379409 -5.071134 0.378097 ESP Fit Center 9683 is at 6.759355 -4.917626 0.378097 ESP Fit Center 9684 is at 8.464754 -2.277641 -0.027544 ESP Fit Center 9685 is at 8.435627 -1.861095 -0.027544 ESP Fit Center 9686 is at 5.158894 -5.254251 -0.027544 ESP Fit Center 9687 is at 5.576202 -5.268824 -0.027544 ESP Fit Center 9688 is at 5.991478 -5.225177 -0.027544 ESP Fit Center 9689 is at 6.396638 -5.124159 -0.027544 ESP Fit Center 9690 is at 6.783796 -4.967737 -0.027544 ESP Fit Center 9691 is at 7.145416 -4.758956 -0.027544 ESP Fit Center 9692 is at 7.474460 -4.501878 -0.027544 ESP Fit Center 9693 is at 7.764524 -4.201508 -0.027544 ESP Fit Center 9694 is at 8.009961 -3.863693 -0.027544 ESP Fit Center 9695 is at 8.205995 -3.495006 -0.027544 ESP Fit Center 9696 is at 8.348810 -3.102625 -0.027544 ESP Fit Center 9697 is at 8.435627 -2.694187 -0.027544 ESP Fit Center 9698 is at 8.464754 -2.277641 -0.436999 ESP Fit Center 9699 is at 8.435627 -1.861095 -0.436999 ESP Fit Center 9700 is at 5.576202 -5.268824 -0.436999 ESP Fit Center 9701 is at 5.991478 -5.225177 -0.436999 ESP Fit Center 9702 is at 6.396638 -5.124159 -0.436999 ESP Fit Center 9703 is at 6.783796 -4.967737 -0.436999 ESP Fit Center 9704 is at 7.145416 -4.758956 -0.436999 ESP Fit Center 9705 is at 7.474460 -4.501878 -0.436999 ESP Fit Center 9706 is at 7.764524 -4.201508 -0.436999 ESP Fit Center 9707 is at 8.009961 -3.863693 -0.436999 ESP Fit Center 9708 is at 8.205995 -3.495006 -0.436999 ESP Fit Center 9709 is at 8.348810 -3.102625 -0.436999 ESP Fit Center 9710 is at 8.435627 -2.694187 -0.436999 ESP Fit Center 9711 is at 5.574257 -5.213104 -0.842639 ESP Fit Center 9712 is at 5.981796 -5.170270 -0.842639 ESP Fit Center 9713 is at 6.379409 -5.071134 -0.842639 ESP Fit Center 9714 is at 6.759355 -4.917626 -0.842639 ESP Fit Center 9715 is at 7.114239 -4.712734 -0.842639 ESP Fit Center 9716 is at 7.437153 -4.460445 -0.842639 ESP Fit Center 9717 is at 7.721814 -4.165670 -0.842639 ESP Fit Center 9718 is at 7.962679 -3.834148 -0.842639 ESP Fit Center 9719 is at 5.368508 -5.102538 -1.236910 ESP Fit Center 9720 is at 5.780917 -5.087466 -1.236910 ESP Fit Center 9721 is at 6.186736 -5.012507 -1.236910 ESP Fit Center 9722 is at 6.577316 -4.879260 -1.236910 ESP Fit Center 9723 is at 6.944333 -4.690563 -1.236910 ESP Fit Center 9724 is at 7.279965 -4.450440 -1.236910 ESP Fit Center 9725 is at 5.055060 -4.908503 -1.612466 ESP Fit Center 9726 is at 5.471748 -4.941297 -1.612466 ESP Fit Center 9727 is at 5.888436 -4.908503 -1.612466 ESP Fit Center 9728 is at 6.294863 -4.810928 -1.612466 ESP Fit Center 9729 is at 6.681022 -4.650976 -1.612466 ESP Fit Center 9730 is at 5.160439 -4.708699 -1.962312 ESP Fit Center 9731 is at 5.575768 -4.726342 -1.962312 ESP Fit Center 9732 is at 5.988104 -4.673541 -1.962312 ESP Fit Center 9733 is at 4.754649 -4.349563 -2.279931 ESP Fit Center 9734 is at 5.159722 -4.447832 -2.279931 ESP Fit Center 9735 is at 5.576072 -4.467666 -2.279931 ESP Fit Center 9736 is at 3.589583 -2.482339 -2.559405 ESP Fit Center 9737 is at 3.677590 -2.882163 -2.559405 ESP Fit Center 9738 is at 4.409273 -3.844675 -2.559405 ESP Fit Center 9739 is at 4.770979 -4.036439 -2.559405 ESP Fit Center 9740 is at 5.165452 -4.145964 -2.559405 ESP Fit Center 9741 is at 3.927514 -2.065391 -2.795530 ESP Fit Center 9742 is at 3.927514 -2.489891 -2.795530 ESP Fit Center 9743 is at 4.042043 -2.898649 -2.795530 ESP Fit Center 9744 is at 4.262607 -3.261351 -2.795530 ESP Fit Center 9745 is at 4.572846 -3.551094 -2.795530 ESP Fit Center 9746 is at 4.949754 -3.746392 -2.795530 ESP Fit Center 9747 is at 4.556169 -1.509379 -2.983905 ESP Fit Center 9748 is at 4.348624 -1.868857 -2.983905 ESP Fit Center 9749 is at 4.276545 -2.277641 -2.983905 ESP Fit Center 9750 is at 4.348624 -2.686425 -2.983905 ESP Fit Center 9751 is at 4.556169 -3.045903 -2.983905 ESP Fit Center 9752 is at 4.874146 -3.312717 -2.983905 ESP Fit Center 9753 is at 4.770795 -1.872946 -3.121023 ESP Fit Center 9754 is at 4.662358 -2.277641 -3.121023 ESP Fit Center 9755 is at 4.770795 -2.682336 -3.121023 ESP Fit Center 9756 is at 6.752517 -0.211912 3.338841 ESP Fit Center 9757 is at 7.169273 -0.211912 3.302380 ESP Fit Center 9758 is at 6.960895 0.149009 3.302380 ESP Fit Center 9759 is at 6.544139 0.149009 3.302380 ESP Fit Center 9760 is at 6.335761 -0.211912 3.302380 ESP Fit Center 9761 is at 6.544139 -0.572833 3.302380 ESP Fit Center 9762 is at 6.960895 -0.572833 3.302380 ESP Fit Center 9763 is at 7.573365 -0.211912 3.194103 ESP Fit Center 9764 is at 7.463392 0.198513 3.194103 ESP Fit Center 9765 is at 7.162941 0.498964 3.194103 ESP Fit Center 9766 is at 6.752517 0.608937 3.194103 ESP Fit Center 9767 is at 6.342093 0.498964 3.194103 ESP Fit Center 9768 is at 6.041641 0.198513 3.194103 ESP Fit Center 9769 is at 5.931669 -0.211912 3.194103 ESP Fit Center 9770 is at 6.041641 -0.622336 3.194103 ESP Fit Center 9771 is at 6.342093 -0.922787 3.194103 ESP Fit Center 9772 is at 6.752517 -1.032760 3.194103 ESP Fit Center 9773 is at 7.162941 -0.922787 3.194103 ESP Fit Center 9774 is at 7.463392 -0.622336 3.194103 ESP Fit Center 9775 is at 7.952517 -0.211912 3.017302 ESP Fit Center 9776 is at 7.880148 0.198513 3.017302 ESP Fit Center 9777 is at 7.671770 0.559434 3.017302 ESP Fit Center 9778 is at 7.352517 0.827319 3.017302 ESP Fit Center 9779 is at 6.960895 0.969858 3.017302 ESP Fit Center 9780 is at 6.544139 0.969858 3.017302 ESP Fit Center 9781 is at 5.624886 -0.622336 3.017302 ESP Fit Center 9782 is at 5.833264 -0.983257 3.017302 ESP Fit Center 9783 is at 6.152517 -1.251142 3.017302 ESP Fit Center 9784 is at 6.544139 -1.393681 3.017302 ESP Fit Center 9785 is at 6.960895 -1.393681 3.017302 ESP Fit Center 9786 is at 7.352517 -1.251142 3.017302 ESP Fit Center 9787 is at 7.671770 -0.983257 3.017302 ESP Fit Center 9788 is at 7.880148 -0.622336 3.017302 ESP Fit Center 9789 is at 8.295207 -0.211912 2.777348 ESP Fit Center 9790 is at 8.238000 0.204301 2.777348 ESP Fit Center 9791 is at 8.070621 0.589646 2.777348 ESP Fit Center 9792 is at 7.805485 0.915542 2.777348 ESP Fit Center 9793 is at 7.462255 1.157820 2.777348 ESP Fit Center 9794 is at 7.066386 1.298512 2.777348 ESP Fit Center 9795 is at 6.647240 -1.751005 2.777348 ESP Fit Center 9796 is at 7.066386 -1.722335 2.777348 ESP Fit Center 9797 is at 7.462255 -1.581643 2.777348 ESP Fit Center 9798 is at 7.805485 -1.339365 2.777348 ESP Fit Center 9799 is at 8.070621 -1.013469 2.777348 ESP Fit Center 9800 is at 8.238000 -0.628124 2.777348 ESP Fit Center 9801 is at 8.591024 -0.211912 2.481531 ESP Fit Center 9802 is at 8.541466 0.212077 2.481531 ESP Fit Center 9803 is at 8.395466 0.613209 2.481531 ESP Fit Center 9804 is at 8.160895 0.969858 2.481531 ESP Fit Center 9805 is at 7.850397 1.262797 2.481531 ESP Fit Center 9806 is at 7.480712 1.476235 2.481531 ESP Fit Center 9807 is at 7.480712 -1.900058 2.481531 ESP Fit Center 9808 is at 7.850397 -1.686620 2.481531 ESP Fit Center 9809 is at 8.160895 -1.393681 2.481531 ESP Fit Center 9810 is at 8.395466 -1.037032 2.481531 ESP Fit Center 9811 is at 8.541466 -0.635900 2.481531 ESP Fit Center 9812 is at 8.830978 -0.211912 2.138841 ESP Fit Center 9813 is at 8.788432 0.206480 2.138841 ESP Fit Center 9814 is at 8.662535 0.607742 2.138841 ESP Fit Center 9815 is at 8.458442 0.975447 2.138841 ESP Fit Center 9816 is at 8.184508 1.294542 2.138841 ESP Fit Center 9817 is at 7.851948 1.551962 2.138841 ESP Fit Center 9818 is at 7.851948 -1.975786 2.138841 ESP Fit Center 9819 is at 8.184508 -1.718365 2.138841 ESP Fit Center 9820 is at 8.458442 -1.399270 2.138841 ESP Fit Center 9821 is at 8.662535 -1.031565 2.138841 ESP Fit Center 9822 is at 8.788432 -0.630303 2.138841 ESP Fit Center 9823 is at 9.007779 -0.211912 1.759689 ESP Fit Center 9824 is at 8.967024 0.214900 1.759689 ESP Fit Center 9825 is at 8.846230 0.626285 1.759689 ESP Fit Center 9826 is at 8.649764 1.007375 1.759689 ESP Fit Center 9827 is at 8.384727 1.344398 1.759689 ESP Fit Center 9828 is at 8.384727 -1.768221 1.759689 ESP Fit Center 9829 is at 8.649764 -1.431198 1.759689 ESP Fit Center 9830 is at 8.846230 -1.050108 1.759689 ESP Fit Center 9831 is at 8.967024 -0.638723 1.759689 ESP Fit Center 9832 is at 9.116055 -0.211912 1.355597 ESP Fit Center 9833 is at 9.078072 0.210115 1.355597 ESP Fit Center 9834 is at 8.965344 0.618576 1.355597 ESP Fit Center 9835 is at 8.781494 1.000346 1.355597 ESP Fit Center 9836 is at 8.532430 1.343152 1.355597 ESP Fit Center 9837 is at 8.532430 -1.766975 1.355597 ESP Fit Center 9838 is at 8.781494 -1.424169 1.355597 ESP Fit Center 9839 is at 8.965344 -1.042400 1.355597 ESP Fit Center 9840 is at 9.078072 -0.633938 1.355597 ESP Fit Center 9841 is at 9.152517 -0.211912 0.938841 ESP Fit Center 9842 is at 9.116055 0.204844 0.938841 ESP Fit Center 9843 is at 9.007779 0.608937 0.938841 ESP Fit Center 9844 is at 8.591024 -1.754602 0.938841 ESP Fit Center 9845 is at 8.830978 -1.411912 0.938841 ESP Fit Center 9846 is at 9.007779 -1.032760 0.938841 ESP Fit Center 9847 is at 9.116055 -0.628667 0.938841 ESP Fit Center 9848 is at 9.116055 -0.211912 0.522085 ESP Fit Center 9849 is at 9.078072 0.210115 0.522085 ESP Fit Center 9850 is at 8.532430 -1.766975 0.522085 ESP Fit Center 9851 is at 8.781494 -1.424169 0.522085 ESP Fit Center 9852 is at 8.965344 -1.042400 0.522085 ESP Fit Center 9853 is at 9.078072 -0.633938 0.522085 ESP Fit Center 9854 is at 5.669674 1.861280 2.583061 ESP Fit Center 9855 is at 5.259249 1.751307 2.583061 ESP Fit Center 9856 is at 4.958798 1.450855 2.583061 ESP Fit Center 9857 is at 6.269674 2.079662 2.406260 ESP Fit Center 9858 is at 5.878051 2.222201 2.406260 ESP Fit Center 9859 is at 5.461296 2.222201 2.406260 ESP Fit Center 9860 is at 5.069674 2.079662 2.406260 ESP Fit Center 9861 is at 6.379411 2.410163 2.166306 ESP Fit Center 9862 is at 5.983543 2.550855 2.166306 ESP Fit Center 9863 is at 5.564397 2.579525 2.166306 ESP Fit Center 9864 is at 5.153058 2.494048 2.166306 ESP Fit Center 9865 is at 4.780034 2.300763 2.166306 ESP Fit Center 9866 is at 6.767554 2.515140 1.870489 ESP Fit Center 9867 is at 6.397869 2.728578 1.870489 ESP Fit Center 9868 is at 5.988927 2.851007 1.870489 ESP Fit Center 9869 is at 5.562774 2.875827 1.870489 ESP Fit Center 9870 is at 5.142384 2.801701 1.870489 ESP Fit Center 9871 is at 4.750420 2.632625 1.870489 ESP Fit Center 9872 is at 7.101664 2.546885 1.527799 ESP Fit Center 9873 is at 6.769105 2.804305 1.527799 ESP Fit Center 9874 is at 6.391534 2.989512 1.527799 ESP Fit Center 9875 is at 5.984410 3.094924 1.527799 ESP Fit Center 9876 is at 5.564401 3.116225 1.527799 ESP Fit Center 9877 is at 5.148702 3.052542 1.527799 ESP Fit Center 9878 is at 4.754331 2.906483 1.527799 ESP Fit Center 9879 is at 6.977854 2.877514 1.148647 ESP Fit Center 9880 is at 6.606543 3.091890 1.148647 ESP Fit Center 9881 is at 6.201372 3.232121 1.148647 ESP Fit Center 9882 is at 5.776983 3.293139 1.148647 ESP Fit Center 9883 is at 5.348716 3.272738 1.148647 ESP Fit Center 9884 is at 4.932049 3.171656 1.148647 ESP Fit Center 9885 is at 7.143316 2.888320 0.744555 ESP Fit Center 9886 is at 6.789680 3.121753 0.744555 ESP Fit Center 9887 is at 6.400047 3.288290 0.744555 ESP Fit Center 9888 is at 5.986939 3.382579 0.744555 ESP Fit Center 9889 is at 5.563634 3.401590 0.744555 ESP Fit Center 9890 is at 5.143737 3.344711 0.744555 ESP Fit Center 9891 is at 4.740744 3.213771 0.744555 ESP Fit Center 9892 is at 7.212364 2.878938 0.327799 ESP Fit Center 9893 is at 6.869674 3.118892 0.327799 ESP Fit Center 9894 is at 6.490522 3.295694 0.327799 ESP Fit Center 9895 is at 6.086429 3.403970 0.327799 ESP Fit Center 9896 is at 5.669674 3.440431 0.327799 ESP Fit Center 9897 is at 5.252918 3.403970 0.327799 ESP Fit Center 9898 is at 4.848825 3.295694 0.327799 ESP Fit Center 9899 is at 7.143316 2.888320 -0.088957 ESP Fit Center 9900 is at 6.789680 3.121753 -0.088957 ESP Fit Center 9901 is at 6.400047 3.288290 -0.088957 ESP Fit Center 9902 is at 5.986939 3.382579 -0.088957 ESP Fit Center 9903 is at 5.563634 3.401590 -0.088957 ESP Fit Center 9904 is at 5.143737 3.344711 -0.088957 ESP Fit Center 9905 is at 6.606543 3.091890 -0.493049 ESP Fit Center 9906 is at 6.201372 3.232121 -0.493049 ESP Fit Center 9907 is at 5.776983 3.293139 -0.493049 ESP Fit Center 9908 is at 5.348716 3.272738 -0.493049 ESP Fit Center 9909 is at 4.932049 3.171656 -0.493049 ESP Fit Center 9910 is at 6.391534 2.989512 -0.872201 ESP Fit Center 9911 is at 5.984410 3.094924 -0.872201 ESP Fit Center 9912 is at 5.564401 3.116225 -0.872201 ESP Fit Center 9913 is at 5.148702 3.052542 -0.872201 ESP Fit Center 9914 is at 5.988927 2.851007 -1.214891 ESP Fit Center 9915 is at 5.562774 2.875827 -1.214891 ESP Fit Center 9916 is at 5.142384 2.801701 -1.214891 ESP Fit Center 9917 is at 5.564397 2.579525 -1.510708 ESP Fit Center 9918 is at 5.153058 2.494048 -1.510708 ESP Fit Center 9919 is at 9.098912 0.141003 -0.786927 ESP Fit Center 9920 is at 9.062450 0.557759 -0.786927 ESP Fit Center 9921 is at 8.954174 0.961852 -0.786927 ESP Fit Center 9922 is at 8.777373 1.341003 -0.786927 ESP Fit Center 9923 is at 8.537418 1.683694 -0.786927 ESP Fit Center 9924 is at 8.777373 -1.058997 -0.786927 ESP Fit Center 9925 is at 8.954174 -0.679845 -0.786927 ESP Fit Center 9926 is at 9.062450 -0.275752 -0.786927 ESP Fit Center 9927 is at 9.062450 0.141003 -1.203683 ESP Fit Center 9928 is at 9.024467 0.563029 -1.203683 ESP Fit Center 9929 is at 8.911739 0.971491 -1.203683 ESP Fit Center 9930 is at 8.727888 1.353261 -1.203683 ESP Fit Center 9931 is at 8.478825 1.696067 -1.203683 ESP Fit Center 9932 is at 8.172554 1.988892 -1.203683 ESP Fit Center 9933 is at 7.818919 2.222325 -1.203683 ESP Fit Center 9934 is at 8.478825 -1.414060 -1.203683 ESP Fit Center 9935 is at 8.727888 -1.071254 -1.203683 ESP Fit Center 9936 is at 8.911739 -0.689485 -1.203683 ESP Fit Center 9937 is at 9.024467 -0.281023 -1.203683 ESP Fit Center 9938 is at 8.954174 0.141003 -1.607776 ESP Fit Center 9939 is at 8.913418 0.567815 -1.607776 ESP Fit Center 9940 is at 8.792625 0.979200 -1.607776 ESP Fit Center 9941 is at 8.596159 1.360290 -1.607776 ESP Fit Center 9942 is at 8.331122 1.697313 -1.607776 ESP Fit Center 9943 is at 8.007092 1.978086 -1.607776 ESP Fit Center 9944 is at 7.635781 2.192462 -1.607776 ESP Fit Center 9945 is at 7.230610 2.332693 -1.607776 ESP Fit Center 9946 is at 8.331122 -1.415306 -1.607776 ESP Fit Center 9947 is at 8.596159 -1.078284 -1.607776 ESP Fit Center 9948 is at 8.792625 -0.697193 -1.607776 ESP Fit Center 9949 is at 8.913418 -0.285808 -1.607776 ESP Fit Center 9950 is at 8.777373 0.141003 -1.986927 ESP Fit Center 9951 is at 8.734826 0.559394 -1.986927 ESP Fit Center 9952 is at 8.608930 0.960657 -1.986927 ESP Fit Center 9953 is at 8.404836 1.328362 -1.986927 ESP Fit Center 9954 is at 8.130902 1.647457 -1.986927 ESP Fit Center 9955 is at 7.798343 1.904877 -1.986927 ESP Fit Center 9956 is at 7.420772 2.090085 -1.986927 ESP Fit Center 9957 is at 7.013648 2.195496 -1.986927 ESP Fit Center 9958 is at 6.593639 2.216797 -1.986927 ESP Fit Center 9959 is at 8.130902 -1.365450 -1.986927 ESP Fit Center 9960 is at 8.404836 -1.046355 -1.986927 ESP Fit Center 9961 is at 8.608930 -0.678650 -1.986927 ESP Fit Center 9962 is at 8.734826 -0.277388 -1.986927 ESP Fit Center 9963 is at 8.537418 0.141003 -2.329617 ESP Fit Center 9964 is at 8.487861 0.564992 -2.329617 ESP Fit Center 9965 is at 8.341861 0.966124 -2.329617 ESP Fit Center 9966 is at 8.107289 1.322773 -2.329617 ESP Fit Center 9967 is at 7.796792 1.615712 -2.329617 ESP Fit Center 9968 is at 7.427107 1.829150 -2.329617 ESP Fit Center 9969 is at 7.018165 1.951579 -2.329617 ESP Fit Center 9970 is at 6.592012 1.976400 -2.329617 ESP Fit Center 9971 is at 6.171622 1.902273 -2.329617 ESP Fit Center 9972 is at 8.107289 -1.040766 -2.329617 ESP Fit Center 9973 is at 8.341861 -0.684117 -2.329617 ESP Fit Center 9974 is at 8.487861 -0.282985 -2.329617 ESP Fit Center 9975 is at 8.241602 0.141003 -2.625434 ESP Fit Center 9976 is at 8.184395 0.557216 -2.625434 ESP Fit Center 9977 is at 8.017016 0.942560 -2.625434 ESP Fit Center 9978 is at 7.751880 1.268457 -2.625434 ESP Fit Center 9979 is at 7.408649 1.510735 -2.625434 ESP Fit Center 9980 is at 7.012781 1.651427 -2.625434 ESP Fit Center 9981 is at 6.593635 1.680097 -2.625434 ESP Fit Center 9982 is at 6.182296 1.594620 -2.625434 ESP Fit Center 9983 is at 5.809273 1.401335 -2.625434 ESP Fit Center 9984 is at 7.751880 -0.986450 -2.625434 ESP Fit Center 9985 is at 8.017016 -0.660554 -2.625434 ESP Fit Center 9986 is at 8.184395 -0.275210 -2.625434 ESP Fit Center 9987 is at 7.898912 0.141003 -2.865388 ESP Fit Center 9988 is at 7.826543 0.551428 -2.865388 ESP Fit Center 9989 is at 7.618165 0.912348 -2.865388 ESP Fit Center 9990 is at 7.298912 1.180234 -2.865388 ESP Fit Center 9991 is at 6.907289 1.322773 -2.865388 ESP Fit Center 9992 is at 6.490534 1.322773 -2.865388 ESP Fit Center 9993 is at 6.098912 1.180234 -2.865388 ESP Fit Center 9994 is at 5.779658 0.912348 -2.865388 ESP Fit Center 9995 is at 5.571280 0.551428 -2.865388 ESP Fit Center 9996 is at 5.498912 0.141003 -2.865388 ESP Fit Center 9997 is at 7.298912 -0.898227 -2.865388 ESP Fit Center 9998 is at 7.618165 -0.630342 -2.865388 ESP Fit Center 9999 is at 7.826543 -0.269421 -2.865388 ESP Fit Center **** is at 7.519760 0.141003 -3.042189 ESP Fit Center **** is at 7.409787 0.551428 -3.042189 ESP Fit Center **** is at 7.109336 0.851879 -3.042189 ESP Fit Center **** is at 6.698912 0.961852 -3.042189 ESP Fit Center **** is at 6.288487 0.851879 -3.042189 ESP Fit Center **** is at 5.988036 0.551428 -3.042189 ESP Fit Center **** is at 5.878063 0.141003 -3.042189 ESP Fit Center **** is at 5.988036 -0.269421 -3.042189 ESP Fit Center **** is at 6.288487 -0.569872 -3.042189 ESP Fit Center **** is at 6.698912 -0.679845 -3.042189 ESP Fit Center **** is at 7.109336 -0.569872 -3.042189 ESP Fit Center **** is at 7.409787 -0.269421 -3.042189 ESP Fit Center **** is at 7.115667 0.141003 -3.150466 ESP Fit Center **** is at 6.907289 0.501924 -3.150466 ESP Fit Center **** is at 6.490534 0.501924 -3.150466 ESP Fit Center **** is at 6.282156 0.141003 -3.150466 ESP Fit Center **** is at 6.490534 -0.219918 -3.150466 ESP Fit Center **** is at 6.907289 -0.219918 -3.150466 ESP Fit Center **** is at 6.698912 0.141003 -3.186927 ESP Fit Center **** is at 6.055816 -2.614322 3.017228 ESP Fit Center **** is at 6.472572 -2.614322 2.980767 ESP Fit Center **** is at 6.264194 -2.253402 2.980767 ESP Fit Center **** is at 5.847438 -2.253402 2.980767 ESP Fit Center **** is at 5.639060 -2.614322 2.980767 ESP Fit Center **** is at 5.847438 -2.975243 2.980767 ESP Fit Center **** is at 6.264194 -2.975243 2.980767 ESP Fit Center **** is at 6.876664 -2.614322 2.872491 ESP Fit Center **** is at 6.766692 -2.203898 2.872491 ESP Fit Center **** is at 6.466240 -1.903447 2.872491 ESP Fit Center **** is at 6.055816 -1.793474 2.872491 ESP Fit Center **** is at 5.645392 -1.903447 2.872491 ESP Fit Center **** is at 5.344940 -2.203898 2.872491 ESP Fit Center **** is at 5.234968 -2.614322 2.872491 ESP Fit Center **** is at 5.344940 -3.024747 2.872491 ESP Fit Center **** is at 5.645392 -3.325198 2.872491 ESP Fit Center **** is at 6.055816 -3.435171 2.872491 ESP Fit Center **** is at 6.466240 -3.325198 2.872491 ESP Fit Center **** is at 6.766692 -3.024747 2.872491 ESP Fit Center **** is at 7.255816 -2.614322 2.695689 ESP Fit Center **** is at 7.183447 -2.203898 2.695689 ESP Fit Center **** is at 6.975069 -1.842977 2.695689 ESP Fit Center **** is at 4.855816 -2.614322 2.695689 ESP Fit Center **** is at 4.928185 -3.024747 2.695689 ESP Fit Center **** is at 5.136563 -3.385668 2.695689 ESP Fit Center **** is at 5.455816 -3.653553 2.695689 ESP Fit Center **** is at 5.847438 -3.796092 2.695689 ESP Fit Center **** is at 6.264194 -3.796092 2.695689 ESP Fit Center **** is at 6.655816 -3.653553 2.695689 ESP Fit Center **** is at 6.975069 -3.385668 2.695689 ESP Fit Center **** is at 7.183447 -3.024747 2.695689 ESP Fit Center **** is at 7.598506 -2.614322 2.455735 ESP Fit Center **** is at 7.541299 -2.198110 2.455735 ESP Fit Center **** is at 4.859134 -3.587896 2.455735 ESP Fit Center **** is at 5.166177 -3.874654 2.455735 ESP Fit Center **** is at 5.539200 -4.067939 2.455735 ESP Fit Center **** is at 5.950539 -4.153416 2.455735 ESP Fit Center **** is at 6.369686 -4.124746 2.455735 ESP Fit Center **** is at 6.765554 -3.984054 2.455735 ESP Fit Center **** is at 7.108784 -3.741776 2.455735 ESP Fit Center **** is at 7.373920 -3.415880 2.455735 ESP Fit Center **** is at 7.541299 -3.030535 2.455735 ESP Fit Center **** is at 7.894323 -2.614322 2.159919 ESP Fit Center **** is at 7.844765 -2.190334 2.159919 ESP Fit Center **** is at 5.136563 -4.206516 2.159919 ESP Fit Center **** is at 5.528526 -4.375593 2.159919 ESP Fit Center **** is at 5.948916 -4.449719 2.159919 ESP Fit Center **** is at 6.375069 -4.424898 2.159919 ESP Fit Center **** is at 6.784011 -4.302469 2.159919 ESP Fit Center **** is at 7.153696 -4.089031 2.159919 ESP Fit Center **** is at 7.464194 -3.796092 2.159919 ESP Fit Center **** is at 7.698766 -3.439443 2.159919 ESP Fit Center **** is at 7.844765 -3.038311 2.159919 ESP Fit Center **** is at 8.134277 -2.614322 1.817228 ESP Fit Center **** is at 8.091731 -2.195931 1.817228 ESP Fit Center **** is at 5.140474 -4.480374 1.817228 ESP Fit Center **** is at 5.534844 -4.626433 1.817228 ESP Fit Center **** is at 5.950544 -4.690116 1.817228 ESP Fit Center **** is at 6.370553 -4.668815 1.817228 ESP Fit Center **** is at 6.777676 -4.563404 1.817228 ESP Fit Center **** is at 7.155247 -4.378196 1.817228 ESP Fit Center **** is at 7.487807 -4.120776 1.817228 ESP Fit Center **** is at 7.761741 -3.801681 1.817228 ESP Fit Center **** is at 7.965834 -3.433976 1.817228 ESP Fit Center **** is at 8.091731 -3.032714 1.817228 ESP Fit Center **** is at 8.311078 -2.614322 1.438077 ESP Fit Center **** is at 8.270323 -2.187511 1.438077 ESP Fit Center **** is at 5.734859 -4.846629 1.438077 ESP Fit Center **** is at 6.163126 -4.867030 1.438077 ESP Fit Center **** is at 6.587514 -4.806012 1.438077 ESP Fit Center **** is at 6.992686 -4.665781 1.438077 ESP Fit Center **** is at 7.363996 -4.451405 1.438077 ESP Fit Center **** is at 7.688026 -4.170632 1.438077 ESP Fit Center **** is at 7.953063 -3.833609 1.438077 ESP Fit Center **** is at 8.149529 -3.452519 1.438077 ESP Fit Center **** is at 8.270323 -3.041134 1.438077 ESP Fit Center **** is at 8.419355 -2.614322 1.033984 ESP Fit Center **** is at 8.381372 -2.192296 1.033984 ESP Fit Center **** is at 5.949776 -4.975481 1.033984 ESP Fit Center **** is at 6.373082 -4.956471 1.033984 ESP Fit Center **** is at 6.786190 -4.862181 1.033984 ESP Fit Center **** is at 7.175823 -4.695644 1.033984 ESP Fit Center **** is at 7.529458 -4.462211 1.033984 ESP Fit Center **** is at 7.835729 -4.169386 1.033984 ESP Fit Center **** is at 8.084793 -3.826580 1.033984 ESP Fit Center **** is at 8.268643 -3.444810 1.033984 ESP Fit Center **** is at 8.381372 -3.036349 1.033984 ESP Fit Center **** is at 8.455816 -2.614322 0.617228 ESP Fit Center **** is at 8.419355 -2.197567 0.617228 ESP Fit Center **** is at 6.472572 -4.977861 0.617228 ESP Fit Center **** is at 6.876664 -4.869585 0.617228 ESP Fit Center **** is at 7.255816 -4.692783 0.617228 ESP Fit Center **** is at 7.598506 -4.452829 0.617228 ESP Fit Center **** is at 7.894323 -4.157013 0.617228 ESP Fit Center **** is at 8.134277 -3.814322 0.617228 ESP Fit Center **** is at 8.311078 -3.435171 0.617228 ESP Fit Center **** is at 8.419355 -3.031078 0.617228 ESP Fit Center **** is at 7.529458 -4.462211 0.200473 ESP Fit Center **** is at 7.835729 -4.169386 0.200473 ESP Fit Center **** is at 8.084793 -3.826580 0.200473 ESP Fit Center **** is at 8.268643 -3.444810 0.200473 ESP Fit Center **** is at 8.381372 -3.036349 0.200473 ESP Fit Center **** is at 8.444580 -2.367341 -0.708774 ESP Fit Center **** is at 8.293869 -3.197829 -0.708774 ESP Fit Center **** is at 8.406597 -2.789368 -0.708774 ESP Fit Center **** is at 8.481042 -2.367341 -1.125530 ESP Fit Center **** is at 8.444580 -1.950586 -1.125530 ESP Fit Center **** is at 7.623732 -4.205848 -1.125530 ESP Fit Center **** is at 7.919549 -3.910032 -1.125530 ESP Fit Center **** is at 8.159503 -3.567341 -1.125530 ESP Fit Center **** is at 8.336304 -3.188190 -1.125530 ESP Fit Center **** is at 8.444580 -2.784097 -1.125530 ESP Fit Center **** is at 8.444580 -2.367341 -1.542285 ESP Fit Center **** is at 8.406597 -1.945315 -1.542285 ESP Fit Center **** is at 8.293869 -1.536854 -1.542285 ESP Fit Center **** is at 7.201049 -4.448663 -1.542285 ESP Fit Center **** is at 7.554684 -4.215230 -1.542285 ESP Fit Center **** is at 7.860955 -3.922405 -1.542285 ESP Fit Center **** is at 8.110019 -3.579599 -1.542285 ESP Fit Center **** is at 8.293869 -3.197829 -1.542285 ESP Fit Center **** is at 8.406597 -2.789368 -1.542285 ESP Fit Center **** is at 8.336304 -2.367341 -1.946378 ESP Fit Center **** is at 8.295549 -1.940530 -1.946378 ESP Fit Center **** is at 8.174755 -1.529145 -1.946378 ESP Fit Center **** is at 6.612740 -4.559031 -1.946378 ESP Fit Center **** is at 7.017912 -4.418800 -1.946378 ESP Fit Center **** is at 7.389222 -4.204424 -1.946378 ESP Fit Center **** is at 7.713252 -3.923651 -1.946378 ESP Fit Center **** is at 7.978289 -3.586628 -1.946378 ESP Fit Center **** is at 8.174755 -3.205538 -1.946378 ESP Fit Center **** is at 8.295549 -2.794153 -1.946378 ESP Fit Center **** is at 8.159503 -2.367341 -2.325530 ESP Fit Center **** is at 8.116957 -1.948950 -2.325530 ESP Fit Center **** is at 7.991060 -1.547688 -2.325530 ESP Fit Center **** is at 5.975770 -4.443135 -2.325530 ESP Fit Center **** is at 6.395779 -4.421834 -2.325530 ESP Fit Center **** is at 6.802902 -4.316423 -2.325530 ESP Fit Center **** is at 7.180473 -4.131215 -2.325530 ESP Fit Center **** is at 7.513033 -3.873795 -2.325530 ESP Fit Center **** is at 7.786967 -3.554700 -2.325530 ESP Fit Center **** is at 7.991060 -3.186995 -2.325530 ESP Fit Center **** is at 8.116957 -2.785733 -2.325530 ESP Fit Center **** is at 7.919549 -2.367341 -2.668220 ESP Fit Center **** is at 7.869991 -1.943353 -2.668220 ESP Fit Center **** is at 7.723991 -1.542221 -2.668220 ESP Fit Center **** is at 7.489420 -1.185572 -2.668220 ESP Fit Center **** is at 5.553752 -4.128612 -2.668220 ESP Fit Center **** is at 5.974142 -4.202738 -2.668220 ESP Fit Center **** is at 6.400295 -4.177917 -2.668220 ESP Fit Center **** is at 6.809237 -4.055488 -2.668220 ESP Fit Center **** is at 7.178922 -3.842050 -2.668220 ESP Fit Center **** is at 7.489420 -3.549111 -2.668220 ESP Fit Center **** is at 7.723991 -3.192462 -2.668220 ESP Fit Center **** is at 7.869991 -2.791330 -2.668220 ESP Fit Center **** is at 7.623732 -2.367341 -2.964036 ESP Fit Center **** is at 7.566525 -1.951129 -2.964036 ESP Fit Center **** is at 7.399146 -1.565784 -2.964036 ESP Fit Center **** is at 7.134010 -1.239888 -2.964036 ESP Fit Center **** is at 6.790780 -0.997610 -2.964036 ESP Fit Center **** is at 6.394912 -0.856918 -2.964036 ESP Fit Center **** is at 5.975765 -0.828248 -2.964036 ESP Fit Center **** is at 5.191403 -3.627673 -2.964036 ESP Fit Center **** is at 5.564426 -3.820958 -2.964036 ESP Fit Center **** is at 5.975765 -3.906435 -2.964036 ESP Fit Center **** is at 6.394912 -3.877765 -2.964036 ESP Fit Center **** is at 6.790780 -3.737073 -2.964036 ESP Fit Center **** is at 7.134010 -3.494795 -2.964036 ESP Fit Center **** is at 7.399146 -3.168899 -2.964036 ESP Fit Center **** is at 7.566525 -2.783554 -2.964036 ESP Fit Center **** is at 7.281042 -2.367341 -3.203991 ESP Fit Center **** is at 7.208673 -1.956917 -3.203991 ESP Fit Center **** is at 7.000295 -1.595996 -3.203991 ESP Fit Center **** is at 6.681042 -1.328111 -3.203991 ESP Fit Center **** is at 6.289420 -1.185572 -3.203991 ESP Fit Center **** is at 5.872664 -1.185572 -3.203991 ESP Fit Center **** is at 5.481042 -1.328111 -3.203991 ESP Fit Center **** is at 5.161789 -1.595996 -3.203991 ESP Fit Center **** is at 4.953411 -1.956917 -3.203991 ESP Fit Center **** is at 4.881042 -2.367341 -3.203991 ESP Fit Center **** is at 4.953411 -2.777766 -3.203991 ESP Fit Center **** is at 5.161789 -3.138687 -3.203991 ESP Fit Center **** is at 5.481042 -3.406572 -3.203991 ESP Fit Center **** is at 5.872664 -3.549111 -3.203991 ESP Fit Center **** is at 6.289420 -3.549111 -3.203991 ESP Fit Center **** is at 6.681042 -3.406572 -3.203991 ESP Fit Center **** is at 7.000295 -3.138687 -3.203991 ESP Fit Center **** is at 7.208673 -2.777766 -3.203991 ESP Fit Center **** is at 6.901890 -2.367341 -3.380792 ESP Fit Center **** is at 6.791917 -1.956917 -3.380792 ESP Fit Center **** is at 6.491466 -1.656466 -3.380792 ESP Fit Center **** is at 6.081042 -1.546493 -3.380792 ESP Fit Center **** is at 5.670618 -1.656466 -3.380792 ESP Fit Center **** is at 5.370166 -1.956917 -3.380792 ESP Fit Center **** is at 5.260194 -2.367341 -3.380792 ESP Fit Center **** is at 5.370166 -2.777766 -3.380792 ESP Fit Center **** is at 5.670618 -3.078217 -3.380792 ESP Fit Center **** is at 6.081042 -3.188190 -3.380792 ESP Fit Center **** is at 6.491466 -3.078217 -3.380792 ESP Fit Center **** is at 6.791917 -2.777766 -3.380792 ESP Fit Center **** is at 6.497798 -2.367341 -3.489068 ESP Fit Center **** is at 6.289420 -2.006421 -3.489068 ESP Fit Center **** is at 5.872664 -2.006421 -3.489068 ESP Fit Center **** is at 5.664286 -2.367341 -3.489068 ESP Fit Center **** is at 5.872664 -2.728262 -3.489068 ESP Fit Center **** is at 6.289420 -2.728262 -3.489068 ESP Fit Center **** is at 6.081042 -2.367341 -3.525530 ESP Fit Center **** is at 3.691408 -3.693930 1.742204 ESP Fit Center **** is at 3.082340 -3.132647 1.502250 ESP Fit Center **** is at 3.195689 -3.537194 1.502250 ESP Fit Center **** is at 3.413979 -3.896158 1.502250 ESP Fit Center **** is at 3.721022 -4.182916 1.502250 ESP Fit Center **** is at 4.094046 -4.376201 1.502250 ESP Fit Center **** is at 2.883030 -3.551391 1.206434 ESP Fit Center **** is at 3.074612 -3.932860 1.206434 ESP Fit Center **** is at 3.349002 -4.259866 1.206434 ESP Fit Center **** is at 3.691408 -4.514778 1.206434 ESP Fit Center **** is at 4.083372 -4.683855 1.206434 ESP Fit Center **** is at 4.503762 -4.757981 1.206434 ESP Fit Center **** is at 2.627520 -3.544799 0.863743 ESP Fit Center **** is at 2.793366 -3.931266 0.863743 ESP Fit Center **** is at 3.033612 -4.276437 0.863743 ESP Fit Center **** is at 3.338423 -4.566181 0.863743 ESP Fit Center **** is at 3.695320 -4.788636 0.863743 ESP Fit Center **** is at 4.089690 -4.934695 0.863743 ESP Fit Center **** is at 4.505389 -4.998378 0.863743 ESP Fit Center **** is at 2.606104 -3.956006 0.484592 ESP Fit Center **** is at 2.837906 -4.316695 0.484592 ESP Fit Center **** is at 3.133779 -4.626998 0.484592 ESP Fit Center **** is at 3.483030 -4.875699 0.484592 ESP Fit Center **** is at 3.873038 -5.053809 0.484592 ESP Fit Center **** is at 4.289704 -5.154891 0.484592 ESP Fit Center **** is at 4.717971 -5.175292 0.484592 ESP Fit Center **** is at 2.481187 -3.948085 0.080499 ESP Fit Center **** is at 2.698519 -4.311838 0.080499 ESP Fit Center **** is at 2.977308 -4.630938 0.080499 ESP Fit Center **** is at 3.308595 -4.895131 0.080499 ESP Fit Center **** is at 3.681732 -5.095924 0.080499 ESP Fit Center **** is at 4.084725 -5.226864 0.080499 ESP Fit Center **** is at 4.504622 -5.283743 0.080499 ESP Fit Center **** is at 4.927927 -5.264733 0.080499 ESP Fit Center **** is at 2.355399 -3.743433 -0.336257 ESP Fit Center **** is at 2.532201 -4.122585 -0.336257 ESP Fit Center **** is at 2.772155 -4.465275 -0.336257 ESP Fit Center **** is at 3.067971 -4.761091 -0.336257 ESP Fit Center **** is at 3.410662 -5.001045 -0.336257 ESP Fit Center **** is at 3.789813 -5.177847 -0.336257 ESP Fit Center **** is at 4.193906 -5.286123 -0.336257 ESP Fit Center **** is at 4.610662 -5.322585 -0.336257 ESP Fit Center **** is at 5.027417 -5.286123 -0.336257 ESP Fit Center **** is at 2.481187 -3.948085 -0.753012 ESP Fit Center **** is at 2.698519 -4.311838 -0.753012 ESP Fit Center **** is at 2.977308 -4.630938 -0.753012 ESP Fit Center **** is at 3.308595 -4.895131 -0.753012 ESP Fit Center **** is at 3.681732 -5.095924 -0.753012 ESP Fit Center **** is at 4.084725 -5.226864 -0.753012 ESP Fit Center **** is at 4.504622 -5.283743 -0.753012 ESP Fit Center **** is at 4.927927 -5.264733 -0.753012 ESP Fit Center **** is at 2.446753 -3.557965 -1.157105 ESP Fit Center **** is at 2.606104 -3.956006 -1.157105 ESP Fit Center **** is at 2.837906 -4.316695 -1.157105 ESP Fit Center **** is at 3.133779 -4.626998 -1.157105 ESP Fit Center **** is at 3.483030 -4.875699 -1.157105 ESP Fit Center **** is at 3.873038 -5.053809 -1.157105 ESP Fit Center **** is at 4.289704 -5.154891 -1.157105 ESP Fit Center **** is at 4.717971 -5.175292 -1.157105 ESP Fit Center **** is at 5.142360 -5.114275 -1.157105 ESP Fit Center **** is at 2.627520 -3.544799 -1.536257 ESP Fit Center **** is at 2.793366 -3.931266 -1.536257 ESP Fit Center **** is at 3.033612 -4.276437 -1.536257 ESP Fit Center **** is at 3.338423 -4.566181 -1.536257 ESP Fit Center **** is at 3.695320 -4.788636 -1.536257 ESP Fit Center **** is at 4.089690 -4.934695 -1.536257 ESP Fit Center **** is at 4.505389 -4.998378 -1.536257 ESP Fit Center **** is at 4.925398 -4.977077 -1.536257 ESP Fit Center **** is at 2.784586 -3.136022 -1.878947 ESP Fit Center **** is at 2.883030 -3.551391 -1.878947 ESP Fit Center **** is at 3.074612 -3.932860 -1.878947 ESP Fit Center **** is at 3.349002 -4.259866 -1.878947 ESP Fit Center **** is at 3.691408 -4.514778 -1.878947 ESP Fit Center **** is at 4.083372 -4.683855 -1.878947 ESP Fit Center **** is at 4.503762 -4.757981 -1.878947 ESP Fit Center **** is at 4.929915 -4.733160 -1.878947 ESP Fit Center **** is at 3.082340 -3.132647 -2.174763 ESP Fit Center **** is at 3.195689 -3.537194 -2.174763 ESP Fit Center **** is at 3.413979 -3.896158 -2.174763 ESP Fit Center **** is at 3.721022 -4.182916 -2.174763 ESP Fit Center **** is at 4.094046 -4.376201 -2.174763 ESP Fit Center **** is at 4.505385 -4.461678 -2.174763 ESP Fit Center **** is at 3.410662 -2.922585 -2.414718 ESP Fit Center **** is at 3.483030 -3.333009 -2.414718 ESP Fit Center **** is at 3.691408 -3.693930 -2.414718 ESP Fit Center **** is at 4.010662 -3.961815 -2.414718 ESP Fit Center **** is at 4.402284 -4.104354 -2.414718 ESP Fit Center **** is at 3.899786 -3.333009 -2.591519 ESP Fit Center **** is at 4.200237 -3.633460 -2.591519 Entering OneElI... OneElI was handed 2147271611 working-precision words. Calculate electrostatic properties NBasis = 326 MinDer = 0 MaxDer = 0 NGrid = 10313 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 24.34 SMaxX= 20.52 Shift= 7.758554 6.793022 2.126943 Box 1 Number 0 centers from 1 to 110: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.43D+01 RnKept= 1.21D+01 NSMCal= 6105 NSMKep= 2511 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178700166 working-precision words and 2511 shell-pairs PRISM was handed 178700166 working-precision words and 2511 shell-pairs PRISM was handed 178700166 working-precision words and 2511 shell-pairs PRISM was handed 178700166 working-precision words and 2511 shell-pairs PRISM was handed 178700166 working-precision words and 2511 shell-pairs PRISM was handed 178700166 working-precision words and 2511 shell-pairs PRISM was handed 178700166 working-precision words and 2511 shell-pairs PRISM was handed 178700166 working-precision words and 2511 shell-pairs PRISM was handed 178700166 working-precision words and 2511 shell-pairs PRISM was handed 178700166 working-precision words and 2511 shell-pairs PRISM was handed 178700166 working-precision words and 2511 shell-pairs PRISM was handed 178700166 working-precision words and 2511 shell-pairs IPart= 9 NShTot= 1969783 NBatch= 1932 AvBLen= 1019.6 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 8 NShTot= 2031661 NBatch= 2031 AvBLen= 1000.3 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 3 NShTot= 2248234 NBatch= 2298 AvBLen= 978.3 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 2 NShTot= 2299799 NBatch= 2351 AvBLen= 978.2 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 10 NShTot= 1897592 NBatch= 1852 AvBLen= 1024.6 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 4 NShTot= 2217295 NBatch= 2267 AvBLen= 978.1 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 11 NShTot= 1866653 NBatch= 1824 AvBLen= 1023.4 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 6 NShTot= 2114165 NBatch= 2114 AvBLen= 1000.1 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 7 NShTot= 2093539 NBatch= 2099 AvBLen= 997.4 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 5 NShTot= 2186356 NBatch= 2234 AvBLen= 978.7 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 1 NShTot= 2361677 NBatch= 2457 AvBLen= 961.2 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 0 NShTot= 2609189 NBatch= 3151 AvBLen= 828.1 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 10281 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00140 RRMS= 0.05901: ESP charges: 1 1 C 0.527391 2 C -0.529849 3 O -0.715716 4 N -0.824357 5 O -0.592032 6 C 0.763491 7 C 0.018135 8 N -0.483653 9 C 0.175468 10 N -0.059826 11 C 0.312608 12 N -0.863778 13 C 1.125034 14 N -0.876081 15 H 0.102336 16 H 0.144151 17 H 0.128763 18 C 0.466709 19 Br -0.013772 20 H 0.436604 21 H 0.129071 22 H 0.419609 23 N -0.044221 24 H 0.067189 25 C -0.156511 26 C -0.411385 27 H 0.091021 28 H 0.110160 29 H 0.091566 30 H 0.150982 31 H 0.156010 32 H 0.154883 Sum of ESP charges = 0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.629727 2 C -0.127864 3 O -0.296107 4 N -0.824357 5 O -0.592032 6 C 0.763491 7 C 0.018135 8 N -0.483653 9 C 0.175468 10 N -0.059826 11 C 0.312608 12 N -0.863778 13 C 1.125034 14 N -0.439477 18 C 0.533898 19 Br -0.013772 23 N -0.044221 25 C 0.136236 26 C 0.050490 Charge= 0.00000 Dipole= 7.3409 -7.9695 1.0698 Tot= 10.8879 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.608809 2 Atom -14.725334 3 Atom -22.294423 4 Atom -18.352405 5 Atom -22.362970 6 Atom -14.607527 7 Atom -14.719142 8 Atom -18.348946 9 Atom -14.600126 10 Atom -18.268262 11 Atom -14.644558 12 Atom -18.352024 13 Atom -14.583001 14 Atom -18.290123 15 Atom -1.098053 16 Atom -1.103169 17 Atom -1.102136 18 Atom -14.608661 19 Atom -175.317862 20 Atom -0.997403 21 Atom -1.101535 22 Atom -0.976096 23 Atom -18.263960 24 Atom -1.051203 25 Atom -14.674448 26 Atom -14.658827 27 Atom -1.086161 28 Atom -1.086229 29 Atom -1.087757 30 Atom -1.077493 31 Atom -1.077893 32 Atom -1.065837 33 Fit 0.017333 34 Fit 0.006577 35 Fit -0.009224 36 Fit 0.009299 37 Fit 0.009587 38 Fit 0.010016 39 Fit 0.010658 40 Fit 0.011642 41 Fit 0.008262 42 Fit 0.010221 43 Fit 0.010521 44 Fit 0.011270 45 Fit 0.011952 46 Fit 0.012707 47 Fit 0.007404 48 Fit 0.010880 49 Fit 0.010820 50 Fit 0.011922 51 Fit 0.011164 52 Fit 0.014449 53 Fit 0.011710 54 Fit 0.015732 55 Fit 0.012252 56 Fit 0.018422 57 Fit 0.021971 58 Fit 0.023475 59 Fit 0.013846 60 Fit 0.019142 61 Fit 0.014486 62 Fit 0.016365 63 Fit 0.011303 64 Fit 0.001451 65 Fit 0.006864 66 Fit -0.004838 67 Fit -0.011992 68 Fit -0.014911 69 Fit -0.013936 70 Fit -0.009318 71 Fit -0.001165 72 Fit -0.001327 73 Fit -0.012678 74 Fit -0.019853 75 Fit -0.023088 76 Fit -0.022588 77 Fit -0.018629 78 Fit -0.011597 79 Fit -0.004641 80 Fit -0.016351 81 Fit -0.024231 82 Fit -0.028424 83 Fit -0.029078 84 Fit -0.026480 85 Fit -0.021135 86 Fit -0.013741 87 Fit -0.003385 88 Fit -0.015909 89 Fit -0.025063 90 Fit -0.030825 91 Fit -0.033243 92 Fit -0.032543 93 Fit -0.029225 94 Fit -0.024088 95 Fit -0.018214 96 Fit -0.012913 97 Fit -0.022870 98 Fit -0.022424 99 Fit -0.023258 100 Fit -0.025018 101 Fit -0.027269 102 Fit -0.027760 103 Fit -0.007099 104 Fit -0.019036 105 Fit -0.027999 106 Fit -0.033685 107 Fit -0.036067 108 Fit -0.035477 109 Fit -0.032662 110 Fit -0.028755 111 Fit -0.025102 112 Fit -0.032415 113 Fit -0.032243 114 Fit -0.032972 115 Fit -0.033931 116 Fit -0.033960 117 Fit -0.031560 118 Fit -0.000303 119 Fit -0.011796 120 Fit -0.022300 121 Fit -0.030507 122 Fit -0.035789 123 Fit -0.038060 124 Fit -0.037788 125 Fit -0.035948 126 Fit -0.033793 127 Fit -0.038577 128 Fit -0.038549 129 Fit -0.038706 130 Fit -0.037822 131 Fit -0.034459 132 Fit -0.028025 133 Fit -0.019175 134 Fit -0.009813 135 Fit -0.004026 136 Fit -0.010574 137 Fit -0.019943 138 Fit -0.028912 139 Fit -0.035506 140 Fit -0.039002 141 Fit -0.039821 142 Fit -0.039218 143 Fit -0.041206 144 Fit -0.040963 145 Fit -0.039441 146 Fit -0.035165 147 Fit -0.027992 148 Fit -0.020457 149 Fit -0.017059 150 Fit -0.020231 151 Fit -0.027513 152 Fit -0.034689 153 Fit -0.039190 154 Fit -0.040908 155 Fit -0.040234 156 Fit -0.038480 157 Fit -0.032447 158 Fit -0.027982 159 Fit -0.031901 160 Fit -0.037998 161 Fit -0.035759 162 Fit -0.007449 163 Fit -0.008702 164 Fit -0.011849 165 Fit -0.008144 166 Fit -0.003525 167 Fit -0.002246 168 Fit -0.003451 169 Fit -0.007048 170 Fit -0.012853 171 Fit -0.015016 172 Fit -0.012202 173 Fit -0.006162 174 Fit 0.002129 175 Fit 0.003266 176 Fit 0.005508 177 Fit 0.004267 178 Fit -0.000649 179 Fit -0.001923 180 Fit -0.009409 181 Fit -0.015127 182 Fit -0.016427 183 Fit -0.012917 184 Fit -0.006993 185 Fit 0.006433 186 Fit 0.004976 187 Fit -0.015353 188 Fit -0.015792 189 Fit -0.010861 190 Fit -0.004032 191 Fit -0.014336 192 Fit -0.012071 193 Fit -0.002868 194 Fit -0.011485 195 Fit -0.002514 196 Fit -0.010214 197 Fit -0.002926 198 Fit -0.010270 199 Fit -0.004016 200 Fit -0.011807 201 Fit -0.003063 202 Fit -0.014043 203 Fit -0.012651 204 Fit -0.002088 205 Fit -0.005923 206 Fit -0.013779 207 Fit -0.016017 208 Fit -0.011765 209 Fit -0.001591 210 Fit -0.002472 211 Fit -0.011424 212 Fit -0.015875 213 Fit -0.014927 214 Fit -0.009300 215 Fit 0.002323 216 Fit -0.007249 217 Fit -0.013442 218 Fit -0.014427 219 Fit -0.010691 220 Fit -0.004811 221 Fit -0.000984 222 Fit -0.008786 223 Fit -0.011678 224 Fit -0.009079 225 Fit -0.003070 226 Fit 0.009072 227 Fit -0.002100 228 Fit -0.007106 229 Fit -0.003723 230 Fit 0.002058 231 Fit 0.005969 232 Fit 0.005682 233 Fit -0.001127 234 Fit -0.045574 235 Fit -0.041247 236 Fit -0.050947 237 Fit -0.054821 238 Fit -0.050222 239 Fit -0.038512 240 Fit -0.036794 241 Fit -0.047246 242 Fit -0.055022 243 Fit -0.059742 244 Fit -0.061836 245 Fit -0.060877 246 Fit -0.055390 247 Fit -0.044277 248 Fit -0.031258 249 Fit -0.043080 250 Fit -0.052552 251 Fit -0.059011 252 Fit -0.063187 253 Fit -0.065934 254 Fit -0.067509 255 Fit -0.067371 256 Fit -0.064307 257 Fit -0.056700 258 Fit -0.022789 259 Fit -0.036940 260 Fit -0.048547 261 Fit -0.056668 262 Fit -0.061981 263 Fit -0.065542 264 Fit -0.068210 265 Fit -0.070419 266 Fit -0.072117 267 Fit -0.072826 268 Fit -0.071722 269 Fit -0.067593 270 Fit -0.058572 271 Fit -0.029274 272 Fit -0.044698 273 Fit -0.054921 274 Fit -0.061350 275 Fit -0.065429 276 Fit -0.068308 277 Fit -0.070748 278 Fit -0.073089 279 Fit -0.075277 280 Fit -0.076944 281 Fit -0.077511 282 Fit -0.076189 283 Fit -0.071476 284 Fit -0.039556 285 Fit -0.052154 286 Fit -0.059881 287 Fit -0.064633 288 Fit -0.067751 289 Fit -0.070168 290 Fit -0.072456 291 Fit -0.074848 292 Fit -0.077288 293 Fit -0.079505 294 Fit -0.081123 295 Fit -0.081750 296 Fit -0.080785 297 Fit -0.036784 298 Fit -0.051013 299 Fit -0.059476 300 Fit -0.064563 301 Fit -0.067801 302 Fit -0.070222 303 Fit -0.072480 304 Fit -0.074893 305 Fit -0.077488 306 Fit -0.080073 307 Fit -0.082347 308 Fit -0.084039 309 Fit -0.084978 310 Fit -0.036948 311 Fit -0.051108 312 Fit -0.059545 313 Fit -0.064625 314 Fit -0.067865 315 Fit -0.070295 316 Fit -0.072566 317 Fit -0.074996 318 Fit -0.077613 319 Fit -0.080226 320 Fit -0.082539 321 Fit -0.084289 322 Fit -0.085328 323 Fit -0.039973 324 Fit -0.052416 325 Fit -0.060084 326 Fit -0.064822 327 Fit -0.067952 328 Fit -0.070398 329 Fit -0.072728 330 Fit -0.075176 331 Fit -0.077685 332 Fit -0.079992 333 Fit -0.081737 334 Fit -0.082559 335 Fit -0.081907 336 Fit -0.030119 337 Fit -0.045220 338 Fit -0.055299 339 Fit -0.061680 340 Fit -0.065765 341 Fit -0.068685 342 Fit -0.071192 343 Fit -0.073623 344 Fit -0.075927 345 Fit -0.077746 346 Fit -0.078524 347 Fit -0.077507 348 Fit -0.073196 349 Fit -0.023828 350 Fit -0.037721 351 Fit -0.049137 352 Fit -0.057167 353 Fit -0.062467 354 Fit -0.066069 355 Fit -0.068819 356 Fit -0.071145 357 Fit -0.072997 358 Fit -0.073906 359 Fit -0.073063 360 Fit -0.069255 361 Fit -0.060512 362 Fit -0.032139 363 Fit -0.043853 364 Fit -0.053231 365 Fit -0.059673 366 Fit -0.063908 367 Fit -0.066778 368 Fit -0.068531 369 Fit -0.068626 370 Fit -0.065844 371 Fit -0.058511 372 Fit -0.037745 373 Fit -0.048123 374 Fit -0.055881 375 Fit -0.060683 376 Fit -0.062950 377 Fit -0.062236 378 Fit -0.057015 379 Fit -0.046086 380 Fit -0.042375 381 Fit -0.052030 382 Fit -0.056062 383 Fit -0.051725 384 Fit -0.040101 385 Fit -0.046903 386 Fit -0.011265 387 Fit -0.008443 388 Fit -0.016366 389 Fit -0.020699 390 Fit -0.016040 391 Fit -0.008925 392 Fit -0.004996 393 Fit -0.013734 394 Fit -0.023875 395 Fit -0.032649 396 Fit -0.033997 397 Fit -0.028815 398 Fit -0.022042 399 Fit -0.002633 400 Fit -0.000427 401 Fit -0.021098 402 Fit -0.040758 403 Fit -0.032137 404 Fit -0.043597 405 Fit -0.045812 406 Fit -0.021988 407 Fit -0.042751 408 Fit -0.034538 409 Fit -0.014678 410 Fit -0.025065 411 Fit -0.034067 412 Fit -0.035721 413 Fit -0.030942 414 Fit -0.024632 415 Fit -0.005381 416 Fit -0.002172 417 Fit -0.009819 418 Fit -0.017871 419 Fit -0.022587 420 Fit -0.018432 421 Fit -0.011502 422 Fit -0.006926 423 Fit -0.013240 424 Fit -0.017429 425 Fit -0.012353 426 Fit -0.016665 427 Fit -0.022527 428 Fit -0.021148 429 Fit -0.015030 430 Fit -0.012443 431 Fit -0.004912 432 Fit -0.022084 433 Fit -0.028433 434 Fit -0.029923 435 Fit -0.015911 436 Fit -0.009083 437 Fit -0.005706 438 Fit -0.031788 439 Fit -0.043343 440 Fit -0.045750 441 Fit -0.034490 442 Fit -0.008693 443 Fit -0.025221 444 Fit -0.031844 445 Fit -0.015539 446 Fit -0.010258 447 Fit -0.016543 448 Fit -0.020396 449 Fit -0.026418 450 Fit -0.025794 451 Fit -0.020450 452 Fit -0.017568 453 Fit -0.021902 454 Fit -0.028934 455 Fit -0.026182 456 Fit -0.033795 457 Fit -0.036916 458 Fit -0.031482 459 Fit -0.020382 460 Fit -0.037577 461 Fit -0.043301 462 Fit -0.044680 463 Fit -0.041043 464 Fit -0.010727 465 Fit -0.041961 466 Fit -0.049162 467 Fit -0.052344 468 Fit -0.051576 469 Fit -0.047243 470 Fit -0.055563 471 Fit -0.059285 472 Fit -0.059879 473 Fit -0.057600 474 Fit -0.057926 475 Fit -0.064592 476 Fit -0.066728 477 Fit -0.066812 478 Fit -0.064934 479 Fit -0.060712 480 Fit -0.074157 481 Fit -0.073439 482 Fit -0.072266 483 Fit -0.069893 484 Fit -0.065602 485 Fit -0.079508 486 Fit -0.077184 487 Fit -0.075091 488 Fit -0.071932 489 Fit -0.082789 490 Fit -0.079461 491 Fit -0.077224 492 Fit -0.074460 493 Fit -0.070175 494 Fit -0.079780 495 Fit -0.077589 496 Fit -0.075558 497 Fit -0.072431 498 Fit -0.074708 499 Fit -0.074227 500 Fit -0.073181 501 Fit -0.070876 502 Fit -0.066630 503 Fit -0.059101 504 Fit -0.065711 505 Fit -0.068007 506 Fit -0.068216 507 Fit -0.066417 508 Fit -0.062257 509 Fit -0.049305 510 Fit -0.057387 511 Fit -0.061147 512 Fit -0.061824 513 Fit -0.059623 514 Fit -0.044610 515 Fit -0.051617 516 Fit -0.054805 517 Fit -0.054116 518 Fit -0.033846 519 Fit -0.040801 520 Fit -0.046364 521 Fit -0.047775 522 Fit -0.044325 523 Fit -0.017597 524 Fit -0.022018 525 Fit -0.030796 526 Fit -0.037670 527 Fit -0.040691 528 Fit -0.026022 529 Fit -0.033538 530 Fit -0.000500 531 Fit -0.007930 532 Fit -0.010724 533 Fit -0.015365 534 Fit 0.008105 535 Fit 0.003184 536 Fit 0.003063 537 Fit 0.007283 538 Fit 0.008713 539 Fit 0.000097 540 Fit -0.007779 541 Fit 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