Entering Gaussian System, Link 0=g16 Input=charges.com Output=charges.log Initial command: /home/rgalindo/g16/l1.exe "/home/rgalindo/tmp/Gau-1374746.inp" -scrdir="/home/rgalindo/tmp/" Entering Link 1 = /home/rgalindo/g16/l1.exe PID= 1374748. Copyright (c) 1988-2021, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 16, Revision C.02, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2019. ****************************************** Gaussian 16: ES64L-G16RevC.02 7-Dec-2021 7-May-2024 ****************************************** %chk=gau.chk %mem=16GB %nprocshared=12 Will use up to 12 processors via shared memory. ------------------------------------------------------------ #HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) opt ------------------------------------------------------------ 1/18=20,19=15,38=1/1,3; 2/9=110,12=2,17=6,18=5,40=1/2; 3/5=1,6=6,7=1,11=9,25=1,30=1,71=1/1,2,3; 4//1; 5/5=2,32=2,38=5/2; 6/7=2,8=2,9=2,10=2,15=8,20=1,28=1,33=2,42=6/1,2; 7//1,2,3,16; 1/18=20,19=15/3(2); 2/9=110/2; 99//99; 2/9=110/2; 3/5=1,6=6,7=1,11=9,25=1,30=1,71=1/1,2,3; 4/5=5,16=3,69=1/1; 5/5=2,32=2,38=5/2; 7//1,2,3,16; 1/18=20,19=15/3(-5); 2/9=110/2; 6/7=2,8=2,9=2,10=2,15=8,19=2,20=1,28=1,33=2,42=6/1,2; 99/9=1/99; --------------------- remark line goes here --------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C 6.791 -6.44 1.197 C 7.652 -6.785 2.422 O 5.815 -7.468 1.031 N 4.353 -1.487 2.068 C 4.982 -2.725 1.838 N 6.097 -2.778 1.224 C 6.732 -4.001 0.989 O 7.814 -4.029 0.392 N 6.146 -5.183 1.43 C 4.931 -5.135 2.1 C 4.343 -3.961 2.313 H 7.443 -6.37 0.316 H 8.408 -6.001 2.571 H 8.151 -7.751 2.258 H 3.49 -1.473 2.544 C 4.91 -0.341 1.651 H 4.474 -6.028 2.442 Br 2.538 -3.888 3.308 H 7.011 -6.851 3.313 H 6.271 -8.334 0.891 O 5.992 -0.359 1.054 C 4.257 0.962 1.888 C 4.852 2.073 1.455 C 4.229 3.378 1.677 C 3.062 3.461 2.312 C 2.403 2.247 2.79 C 2.968 1.058 2.59 H 5.782 2.011 0.948 H 4.707 4.259 1.33 H 2.612 4.408 2.472 H 1.473 2.313 3.297 H 2.486 0.182 2.938 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5365 estimate D2E/DX2 ! ! R2 R(1,3) 1.4272 estimate D2E/DX2 ! ! R3 R(1,9) 1.4319 estimate D2E/DX2 ! ! R4 R(1,12) 1.0983 estimate D2E/DX2 ! ! R5 R(2,13) 1.0993 estimate D2E/DX2 ! ! R6 R(2,14) 1.0996 estimate D2E/DX2 ! ! R7 R(2,19) 1.0996 estimate D2E/DX2 ! ! R8 R(3,20) 0.9887 estimate D2E/DX2 ! ! R9 R(4,5) 1.4075 estimate D2E/DX2 ! ! R10 R(4,15) 0.9857 estimate D2E/DX2 ! ! R11 R(4,16) 1.3407 estimate D2E/DX2 ! ! R12 R(5,6) 1.274 estimate D2E/DX2 ! ! R13 R(5,11) 1.4703 estimate D2E/DX2 ! ! R14 R(6,7) 1.3979 estimate D2E/DX2 ! ! R15 R(7,8) 1.2361 estimate D2E/DX2 ! ! R16 R(7,9) 1.391 estimate D2E/DX2 ! ! R17 R(9,10) 1.3883 estimate D2E/DX2 ! ! R18 R(10,11) 1.3302 estimate D2E/DX2 ! ! R19 R(10,17) 1.0598 estimate D2E/DX2 ! ! R20 R(11,18) 2.0624 estimate D2E/DX2 ! ! R21 R(16,21) 1.2359 estimate D2E/DX2 ! ! R22 R(16,22) 1.4766 estimate D2E/DX2 ! ! R23 R(22,23) 1.3326 estimate D2E/DX2 ! ! R24 R(22,27) 1.4709 estimate D2E/DX2 ! ! R25 R(23,24) 1.463 estimate D2E/DX2 ! ! R26 R(23,28) 1.061 estimate D2E/DX2 ! ! R27 R(24,25) 1.3312 estimate D2E/DX2 ! ! R28 R(24,29) 1.0607 estimate D2E/DX2 ! ! R29 R(25,26) 1.4617 estimate D2E/DX2 ! ! R30 R(25,30) 1.0606 estimate D2E/DX2 ! ! R31 R(26,27) 1.3315 estimate D2E/DX2 ! ! R32 R(26,31) 1.0613 estimate D2E/DX2 ! ! R33 R(27,32) 1.0587 estimate D2E/DX2 ! ! A1 A(2,1,3) 108.3124 estimate D2E/DX2 ! ! A2 A(2,1,9) 108.6498 estimate D2E/DX2 ! ! A3 A(2,1,12) 108.7345 estimate D2E/DX2 ! ! A4 A(3,1,9) 110.0714 estimate D2E/DX2 ! ! A5 A(3,1,12) 111.0136 estimate D2E/DX2 ! ! A6 A(9,1,12) 109.9985 estimate D2E/DX2 ! ! A7 A(1,2,13) 109.4689 estimate D2E/DX2 ! ! A8 A(1,2,14) 109.4291 estimate D2E/DX2 ! ! A9 A(1,2,19) 109.4406 estimate D2E/DX2 ! ! A10 A(13,2,14) 109.5531 estimate D2E/DX2 ! ! A11 A(13,2,19) 109.5045 estimate D2E/DX2 ! ! A12 A(14,2,19) 109.4309 estimate D2E/DX2 ! ! A13 A(1,3,20) 109.3886 estimate D2E/DX2 ! ! A14 A(5,4,15) 118.8597 estimate D2E/DX2 ! ! A15 A(5,4,16) 121.02 estimate D2E/DX2 ! ! A16 A(15,4,16) 120.1203 estimate D2E/DX2 ! ! A17 A(4,5,6) 120.428 estimate D2E/DX2 ! ! A18 A(4,5,11) 119.4982 estimate D2E/DX2 ! ! A19 A(6,5,11) 120.0738 estimate D2E/DX2 ! ! A20 A(5,6,7) 120.9959 estimate D2E/DX2 ! ! A21 A(6,7,8) 119.9094 estimate D2E/DX2 ! ! A22 A(6,7,9) 119.9169 estimate D2E/DX2 ! ! A23 A(8,7,9) 120.1735 estimate D2E/DX2 ! ! A24 A(1,9,7) 120.3036 estimate D2E/DX2 ! ! A25 A(1,9,10) 120.2048 estimate D2E/DX2 ! ! A26 A(7,9,10) 119.4915 estimate D2E/DX2 ! ! A27 A(9,10,11) 119.6468 estimate D2E/DX2 ! ! A28 A(9,10,17) 120.2626 estimate D2E/DX2 ! ! A29 A(11,10,17) 120.0905 estimate D2E/DX2 ! ! A30 A(5,11,10) 119.875 estimate D2E/DX2 ! ! A31 A(5,11,18) 120.4305 estimate D2E/DX2 ! ! A32 A(10,11,18) 119.6944 estimate D2E/DX2 ! ! A33 A(4,16,21) 120.1004 estimate D2E/DX2 ! ! A34 A(4,16,22) 121.3747 estimate D2E/DX2 ! ! A35 A(21,16,22) 118.5249 estimate D2E/DX2 ! ! A36 A(16,22,23) 119.0832 estimate D2E/DX2 ! ! A37 A(16,22,27) 121.4486 estimate D2E/DX2 ! ! A38 A(23,22,27) 119.4682 estimate D2E/DX2 ! ! A39 A(22,23,24) 120.2796 estimate D2E/DX2 ! ! A40 A(22,23,28) 119.8611 estimate D2E/DX2 ! ! A41 A(24,23,28) 119.8592 estimate D2E/DX2 ! ! A42 A(23,24,25) 120.0871 estimate D2E/DX2 ! ! A43 A(23,24,29) 119.9562 estimate D2E/DX2 ! ! A44 A(25,24,29) 119.9566 estimate D2E/DX2 ! ! A45 A(24,25,26) 119.964 estimate D2E/DX2 ! ! A46 A(24,25,30) 119.9729 estimate D2E/DX2 ! ! A47 A(26,25,30) 120.063 estimate D2E/DX2 ! ! A48 A(25,26,27) 120.0806 estimate D2E/DX2 ! ! A49 A(25,26,31) 119.977 estimate D2E/DX2 ! ! A50 A(27,26,31) 119.9424 estimate D2E/DX2 ! ! A51 A(22,27,26) 120.1205 estimate D2E/DX2 ! ! A52 A(22,27,32) 120.123 estimate D2E/DX2 ! ! A53 A(26,27,32) 119.7566 estimate D2E/DX2 ! ! D1 D(3,1,2,13) -179.6808 estimate D2E/DX2 ! ! D2 D(3,1,2,14) 60.2461 estimate D2E/DX2 ! ! D3 D(3,1,2,19) -59.6601 estimate D2E/DX2 ! ! D4 D(9,1,2,13) -60.1275 estimate D2E/DX2 ! ! D5 D(9,1,2,14) 179.7994 estimate D2E/DX2 ! ! D6 D(9,1,2,19) 59.8931 estimate D2E/DX2 ! ! D7 D(12,1,2,13) 59.5824 estimate D2E/DX2 ! ! D8 D(12,1,2,14) -60.4907 estimate D2E/DX2 ! ! D9 D(12,1,2,19) 179.603 estimate D2E/DX2 ! ! D10 D(2,1,3,20) -60.091 estimate D2E/DX2 ! ! D11 D(9,1,3,20) -178.747 estimate D2E/DX2 ! ! D12 D(12,1,3,20) 59.2201 estimate D2E/DX2 ! ! D13 D(2,1,9,7) 93.2323 estimate D2E/DX2 ! ! D14 D(2,1,9,10) -86.6765 estimate D2E/DX2 ! ! D15 D(3,1,9,7) -148.319 estimate D2E/DX2 ! ! D16 D(3,1,9,10) 31.7722 estimate D2E/DX2 ! ! D17 D(12,1,9,7) -25.6864 estimate D2E/DX2 ! ! D18 D(12,1,9,10) 154.4049 estimate D2E/DX2 ! ! D19 D(15,4,5,6) 179.894 estimate D2E/DX2 ! ! D20 D(15,4,5,11) -0.1502 estimate D2E/DX2 ! ! D21 D(16,4,5,6) -0.1158 estimate D2E/DX2 ! ! D22 D(16,4,5,11) 179.8399 estimate D2E/DX2 ! ! D23 D(5,4,16,21) 0.0216 estimate D2E/DX2 ! ! D24 D(5,4,16,22) 179.9966 estimate D2E/DX2 ! ! D25 D(15,4,16,21) -179.9883 estimate D2E/DX2 ! ! D26 D(15,4,16,22) -0.0133 estimate D2E/DX2 ! ! D27 D(4,5,6,7) -179.9907 estimate D2E/DX2 ! ! D28 D(11,5,6,7) 0.0538 estimate D2E/DX2 ! ! D29 D(4,5,11,10) -179.983 estimate D2E/DX2 ! ! D30 D(4,5,11,18) 0.0499 estimate D2E/DX2 ! ! D31 D(6,5,11,10) -0.0271 estimate D2E/DX2 ! ! D32 D(6,5,11,18) -179.9942 estimate D2E/DX2 ! ! D33 D(5,6,7,8) -179.9497 estimate D2E/DX2 ! ! D34 D(5,6,7,9) -0.0824 estimate D2E/DX2 ! ! D35 D(6,7,9,1) -179.8277 estimate D2E/DX2 ! ! D36 D(6,7,9,10) 0.0817 estimate D2E/DX2 ! ! D37 D(8,7,9,1) 0.0392 estimate D2E/DX2 ! ! D38 D(8,7,9,10) 179.9486 estimate D2E/DX2 ! ! D39 D(1,9,10,11) 179.8537 estimate D2E/DX2 ! ! D40 D(1,9,10,17) -0.0416 estimate D2E/DX2 ! ! D41 D(7,9,10,11) -0.0557 estimate D2E/DX2 ! ! D42 D(7,9,10,17) -179.9511 estimate D2E/DX2 ! ! D43 D(9,10,11,5) 0.0275 estimate D2E/DX2 ! ! D44 D(9,10,11,18) 179.9948 estimate D2E/DX2 ! ! D45 D(17,10,11,5) 179.9231 estimate D2E/DX2 ! ! D46 D(17,10,11,18) -0.1096 estimate D2E/DX2 ! ! D47 D(4,16,22,23) 179.928 estimate D2E/DX2 ! ! D48 D(4,16,22,27) -0.0589 estimate D2E/DX2 ! ! D49 D(21,16,22,23) -0.0966 estimate D2E/DX2 ! ! D50 D(21,16,22,27) 179.9164 estimate D2E/DX2 ! ! D51 D(16,22,23,24) -179.9315 estimate D2E/DX2 ! ! D52 D(16,22,23,28) 0.0035 estimate D2E/DX2 ! ! D53 D(27,22,23,24) 0.0557 estimate D2E/DX2 ! ! D54 D(27,22,23,28) 179.9907 estimate D2E/DX2 ! ! D55 D(16,22,27,26) 179.9668 estimate D2E/DX2 ! ! D56 D(16,22,27,32) -0.0405 estimate D2E/DX2 ! ! D57 D(23,22,27,26) -0.0201 estimate D2E/DX2 ! ! D58 D(23,22,27,32) 179.9726 estimate D2E/DX2 ! ! D59 D(22,23,24,25) -0.0962 estimate D2E/DX2 ! ! D60 D(22,23,24,29) -179.9877 estimate D2E/DX2 ! ! D61 D(28,23,24,25) 179.9688 estimate D2E/DX2 ! ! D62 D(28,23,24,29) 0.0773 estimate D2E/DX2 ! ! D63 D(23,24,25,26) 0.0951 estimate D2E/DX2 ! ! D64 D(23,24,25,30) 179.9971 estimate D2E/DX2 ! ! D65 D(29,24,25,26) 179.9866 estimate D2E/DX2 ! ! D66 D(29,24,25,30) -0.1114 estimate D2E/DX2 ! ! D67 D(24,25,26,27) -0.0595 estimate D2E/DX2 ! ! D68 D(24,25,26,31) 179.9486 estimate D2E/DX2 ! ! D69 D(30,25,26,27) -179.9614 estimate D2E/DX2 ! ! D70 D(30,25,26,31) 0.0467 estimate D2E/DX2 ! ! D71 D(25,26,27,22) 0.0194 estimate D2E/DX2 ! ! D72 D(25,26,27,32) -179.9733 estimate D2E/DX2 ! ! D73 D(31,26,27,22) -179.9887 estimate D2E/DX2 ! ! D74 D(31,26,27,32) 0.0186 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= 170 maximum allowed number of steps= 192. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.791000 -6.440000 1.197000 2 6 0 7.652000 -6.785000 2.422000 3 8 0 5.815000 -7.468000 1.031000 4 7 0 4.353000 -1.487000 2.068000 5 6 0 4.982000 -2.725000 1.838000 6 7 0 6.097000 -2.778000 1.224000 7 6 0 6.732000 -4.001000 0.989000 8 8 0 7.814000 -4.029000 0.392000 9 7 0 6.146000 -5.183000 1.430000 10 6 0 4.931000 -5.135000 2.100000 11 6 0 4.343000 -3.961000 2.313000 12 1 0 7.443000 -6.370000 0.316000 13 1 0 8.408000 -6.001000 2.571000 14 1 0 8.151000 -7.751000 2.258000 15 1 0 3.490000 -1.473000 2.544000 16 6 0 4.910000 -0.341000 1.651000 17 1 0 4.474000 -6.028000 2.442000 18 35 0 2.538000 -3.888000 3.308000 19 1 0 7.011000 -6.851000 3.313000 20 1 0 6.271000 -8.334000 0.891000 21 8 0 5.992000 -0.359000 1.054000 22 6 0 4.257000 0.962000 1.888000 23 6 0 4.852000 2.073000 1.455000 24 6 0 4.229000 3.378000 1.677000 25 6 0 3.062000 3.461000 2.312000 26 6 0 2.403000 2.247000 2.790000 27 6 0 2.968000 1.058000 2.590000 28 1 0 5.782000 2.011000 0.948000 29 1 0 4.707000 4.259000 1.330000 30 1 0 2.612000 4.408000 2.472000 31 1 0 1.473000 2.313000 3.297000 32 1 0 2.486000 0.182000 2.938000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.536545 0.000000 3 O 1.427206 2.403318 0.000000 4 N 5.588801 6.251202 6.243811 0.000000 5 C 4.181458 4.894237 4.882744 1.407546 0.000000 6 N 3.727279 4.461981 4.702433 2.328208 1.273982 7 C 2.448564 3.263517 3.586467 3.625476 2.326258 8 O 2.739977 3.426759 4.028777 4.609692 3.436794 9 N 1.431909 2.412158 2.343072 4.157200 2.750113 10 C 2.445002 3.198441 2.714241 3.693645 2.424736 11 C 3.658360 4.351590 4.013646 2.486122 1.470252 12 H 1.098255 2.156651 2.089788 6.038319 4.653926 13 H 2.166861 1.099269 3.353705 6.088697 4.796555 14 H 2.166574 1.099569 2.653774 7.327933 5.956479 15 H 6.114090 6.749405 6.605666 0.985668 2.071715 16 C 6.398600 7.045434 7.210933 1.340692 2.392407 17 H 2.662378 3.266976 2.421322 4.557982 3.395981 18 Br 5.390458 5.943955 5.360957 3.255246 3.080033 19 H 2.166743 1.099599 2.649270 6.114531 4.828700 20 H 1.987781 2.578861 0.988682 7.207320 5.832599 21 O 6.134934 6.776467 7.111240 2.233137 2.689370 22 C 7.854186 8.475092 8.615493 2.457482 3.757937 23 C 8.734841 9.340196 9.598845 3.646693 4.815017 24 C 10.158118 10.749815 10.980366 4.882262 6.151385 25 C 10.638537 11.227676 11.342972 5.119465 6.494434 26 C 9.861854 10.452964 10.445911 4.273937 5.681402 27 C 8.530872 9.136779 9.122969 2.944102 4.351182 28 H 8.514663 9.112584 9.479421 3.941122 4.884854 29 H 10.900887 11.481961 11.783021 5.804005 7.007849 30 H 11.694818 12.275478 12.384469 6.159977 7.543112 31 H 10.454957 11.032646 10.938724 4.923905 6.310563 32 H 8.087953 8.688665 8.558118 2.651066 3.986310 6 7 8 9 10 6 N 0.000000 7 C 1.397920 0.000000 8 O 2.281516 1.236089 0.000000 9 N 2.414304 1.391043 2.278461 0.000000 10 C 2.771711 2.400808 3.528766 1.388319 0.000000 11 C 2.379480 2.731647 3.967708 2.350273 1.330184 12 H 3.941909 2.563320 2.371434 2.081388 3.319341 13 H 4.188420 3.051508 2.998276 2.662264 3.614046 14 H 5.478942 4.205523 4.177177 3.361582 4.151725 15 H 3.200293 4.395381 5.464542 4.696747 3.960285 16 C 2.744133 4.141682 4.860004 5.002150 4.815026 17 H 3.831469 3.364298 4.399330 2.129261 1.059841 18 Br 4.271023 4.793763 6.029852 4.268673 2.956471 19 H 4.667831 3.687996 4.140137 2.660101 2.956759 20 H 5.568689 4.358556 4.600312 3.199210 3.672994 21 O 2.427238 3.716987 4.150521 4.841081 5.003000 22 C 4.220675 5.618291 6.308752 6.445084 6.137803 23 C 5.013540 6.375346 6.865699 7.370522 7.237232 24 C 6.449106 7.822276 8.328691 8.776481 8.552362 25 C 7.022826 8.420254 9.075682 9.219963 8.799393 26 C 6.430289 7.811616 8.626558 8.429979 7.833314 27 C 5.135318 6.505719 7.361555 7.098969 6.515115 28 H 4.807278 6.086734 6.396855 7.219311 7.288115 29 H 7.173751 8.511434 8.900800 9.551549 9.428166 30 H 8.083398 9.480768 10.127693 10.274347 9.827766 31 H 7.183104 8.535253 9.426997 9.028435 8.298390 32 H 4.973803 6.270933 7.252739 6.667300 5.911917 11 12 13 14 15 11 C 0.000000 12 H 4.404690 0.000000 13 H 4.555479 2.480405 0.000000 14 H 5.372894 2.485918 1.796251 0.000000 15 H 2.640287 6.676137 6.685076 7.824321 0.000000 16 C 3.723457 6.674366 6.716994 8.110526 2.023678 17 H 2.075160 3.667670 3.936207 4.064839 4.661189 18 Br 2.062372 6.258707 6.282105 6.894276 2.705961 19 H 4.058365 3.065941 1.795737 1.795167 6.473924 20 H 4.986221 2.358284 3.582186 2.396451 7.585492 21 O 4.156764 6.227533 6.322223 7.794393 3.117868 22 C 4.942059 8.147392 8.135150 9.550733 2.635877 23 C 6.115914 8.904766 8.892697 10.394190 3.951592 24 C 7.367388 10.354015 10.306741 11.814156 4.982972 25 C 7.531736 10.946494 10.870890 12.312992 4.957960 26 C 6.521533 10.284696 10.204778 11.544805 3.883360 27 C 5.211306 8.965037 8.911983 10.226055 2.584678 28 H 6.292752 8.567351 8.586160 10.130395 4.465281 29 H 8.286567 11.022229 10.977481 12.528464 5.984205 30 H 8.547620 12.006339 11.914306 13.362919 5.946615 31 H 6.969091 10.950879 10.850986 12.122677 4.355352 32 H 4.582960 8.624119 8.569379 9.771751 1.975418 16 17 18 19 20 16 C 0.000000 17 H 5.758276 0.000000 18 Br 4.577471 3.012914 0.000000 19 H 7.039641 2.805769 5.365363 0.000000 20 H 8.143585 3.309448 6.288409 2.934787 0.000000 21 O 1.235903 6.030624 5.428119 6.948921 7.981543 22 C 1.476613 7.015277 5.337964 8.405838 9.563777 23 C 2.422638 8.169654 6.657456 9.367562 10.518427 24 C 3.780926 9.440238 7.636386 10.726065 11.914634 25 C 4.278695 9.594361 7.434675 11.087558 12.306053 26 C 3.778904 8.537316 6.158309 10.211797 11.424762 27 C 2.571048 7.245781 5.016307 8.911838 10.099806 28 H 2.605091 8.280605 7.133816 9.254119 10.356708 29 H 4.615653 10.349551 8.659714 11.518368 12.697341 30 H 5.339274 10.600851 8.338344 12.117077 13.350895 31 H 4.643921 8.905577 6.291800 10.707408 11.923433 32 H 2.793864 6.539286 4.087114 8.371340 9.541420 21 22 23 24 25 21 O 0.000000 22 C 2.334700 0.000000 23 C 2.715700 1.332605 0.000000 24 C 4.178692 2.425358 1.463024 0.000000 25 C 4.975928 2.802285 2.421795 1.331166 0.000000 26 C 4.762967 2.429433 2.794656 2.419133 1.461698 27 C 3.675835 1.470898 2.422376 2.793938 2.420853 28 H 2.381646 2.075964 1.061034 2.193613 3.370667 29 H 4.801388 3.374029 2.194367 1.060686 2.075368 30 H 6.013270 3.862900 3.391772 2.075479 1.060617 31 H 5.708940 3.400167 3.855931 3.369594 2.193866 32 H 4.016737 2.201668 3.372407 3.852608 3.387550 26 27 28 29 30 26 C 0.000000 27 C 1.331520 0.000000 28 H 3.855684 3.394550 0.000000 29 H 3.389419 3.854623 2.520923 0.000000 30 H 2.194248 3.370929 4.256417 2.390688 0.000000 31 H 1.061275 2.076030 4.916959 4.256144 2.523286 32 H 2.071960 1.058680 4.262506 4.913292 4.253482 31 32 31 H 0.000000 32 H 2.386674 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.422228 -1.054214 -0.153072 2 6 0 -4.943196 -1.118234 1.291042 3 8 0 -5.129110 -0.021674 -0.839435 4 7 0 1.061275 0.017971 -0.025351 5 6 0 -0.315615 -0.272218 -0.059257 6 7 0 -0.719664 -1.479675 -0.101946 7 6 0 -2.084202 -1.781411 -0.136157 8 8 0 -2.453956 -2.960214 -0.176431 9 7 0 -3.022388 -0.754470 -0.121997 10 6 0 -2.591378 0.564432 -0.075564 11 6 0 -1.288378 0.830118 -0.044086 12 1 0 -4.587058 -2.029155 -0.631075 13 1 0 -4.406405 -1.905186 1.839635 14 1 0 -6.019209 -1.344439 1.282011 15 1 0 1.348218 0.960432 0.005846 16 6 0 1.974634 -0.963425 -0.034779 17 1 0 -3.295605 1.356380 -0.063530 18 35 0 -0.646471 2.788842 0.024743 19 1 0 -4.777258 -0.149064 1.783274 20 1 0 -6.095912 -0.228515 -0.837378 21 8 0 1.614437 -2.145021 -0.074118 22 6 0 3.420951 -0.667942 0.000508 23 6 0 4.289054 -1.678951 -0.009114 24 6 0 5.727847 -1.416211 0.026692 25 6 0 6.176680 -0.163649 0.067181 26 6 0 5.230896 0.950773 0.077985 27 6 0 3.920867 0.714642 0.046180 28 1 0 3.935286 -2.678736 -0.041842 29 1 0 6.414266 -2.224801 0.018642 30 1 0 7.220109 0.024744 0.093141 31 1 0 5.588487 1.949442 0.111088 32 1 0 3.240437 1.525666 0.053767 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4562982 0.1426925 0.1107185 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1866.9455298529 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= 339 RedAO= T EigKep= 4.48D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 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) = -3457.06937770 A.U. after 16 cycles NFock= 16 Conv=0.95D-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) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -490.09565 -64.50640 -58.64560 -58.64386 -58.64361 Alpha occ. eigenvalues -- -20.59809 -20.52268 -20.51904 -15.64950 -15.63041 Alpha occ. eigenvalues -- -15.56590 -11.39098 -11.37966 -11.35919 -11.34878 Alpha occ. eigenvalues -- -11.34264 -11.32855 -11.25310 -11.25182 -11.24796 Alpha occ. eigenvalues -- -11.24733 -11.24578 -11.24211 -11.23962 -9.75286 Alpha occ. eigenvalues -- -7.50175 -7.49332 -7.49269 -3.24064 -3.23697 Alpha occ. eigenvalues -- -3.23627 -3.22613 -3.22613 -1.41405 -1.39152 Alpha occ. eigenvalues -- -1.37938 -1.30550 -1.28280 -1.22148 -1.16422 Alpha occ. eigenvalues -- -1.11310 -1.04924 -1.03374 -1.03169 -0.99553 Alpha occ. eigenvalues -- -0.95035 -0.90767 -0.87705 -0.84642 -0.83677 Alpha occ. eigenvalues -- -0.82334 -0.77244 -0.74545 -0.72927 -0.71411 Alpha occ. eigenvalues -- -0.69773 -0.68626 -0.66486 -0.64644 -0.63885 Alpha occ. eigenvalues -- -0.63296 -0.61783 -0.61048 -0.60970 -0.60152 Alpha occ. eigenvalues -- -0.59250 -0.57081 -0.56577 -0.54429 -0.52532 Alpha occ. eigenvalues -- -0.51972 -0.51500 -0.50397 -0.50383 -0.48836 Alpha occ. eigenvalues -- -0.47174 -0.45961 -0.44157 -0.44021 -0.43576 Alpha occ. eigenvalues -- -0.40037 -0.38479 -0.35326 -0.34915 -0.34516 Alpha virt. eigenvalues -- 0.07584 0.09780 0.10898 0.13536 0.15759 Alpha virt. eigenvalues -- 0.18936 0.21168 0.24893 0.25137 0.26026 Alpha virt. eigenvalues -- 0.27496 0.29330 0.29586 0.30137 0.31089 Alpha virt. eigenvalues -- 0.31475 0.32667 0.33752 0.34150 0.35916 Alpha virt. eigenvalues -- 0.37277 0.38015 0.38681 0.39312 0.40620 Alpha virt. eigenvalues -- 0.41823 0.43287 0.44344 0.46648 0.48260 Alpha virt. eigenvalues -- 0.49320 0.50105 0.50795 0.52713 0.53720 Alpha virt. eigenvalues -- 0.55915 0.59151 0.61491 0.62298 0.62404 Alpha virt. eigenvalues -- 0.63168 0.64065 0.64981 0.65886 0.68362 Alpha virt. eigenvalues -- 0.69530 0.70669 0.72374 0.72716 0.73685 Alpha virt. eigenvalues -- 0.74314 0.75195 0.75980 0.76768 0.77495 Alpha virt. eigenvalues -- 0.77922 0.79441 0.80010 0.80401 0.81189 Alpha virt. eigenvalues -- 0.82558 0.83809 0.84134 0.85177 0.85790 Alpha virt. eigenvalues -- 0.86281 0.87065 0.88448 0.89174 0.89988 Alpha virt. eigenvalues -- 0.91204 0.91854 0.93733 0.95904 0.96874 Alpha virt. eigenvalues -- 0.97984 0.99050 0.99998 1.00874 1.03093 Alpha virt. eigenvalues -- 1.04081 1.05461 1.06855 1.07885 1.08656 Alpha virt. eigenvalues -- 1.09531 1.10682 1.11130 1.11746 1.12079 Alpha virt. eigenvalues -- 1.12655 1.12929 1.14528 1.14623 1.16800 Alpha virt. eigenvalues -- 1.17120 1.17580 1.19224 1.19654 1.19905 Alpha virt. eigenvalues -- 1.21951 1.23056 1.23947 1.25467 1.26099 Alpha virt. eigenvalues -- 1.28615 1.29439 1.31223 1.33446 1.34856 Alpha virt. eigenvalues -- 1.35783 1.36457 1.37836 1.38516 1.40552 Alpha virt. eigenvalues -- 1.42355 1.43498 1.44397 1.46012 1.49148 Alpha virt. eigenvalues -- 1.49232 1.49857 1.52860 1.54075 1.56728 Alpha virt. eigenvalues -- 1.57850 1.59305 1.64496 1.65723 1.66375 Alpha virt. eigenvalues -- 1.67677 1.67987 1.69064 1.69578 1.69792 Alpha virt. eigenvalues -- 1.72495 1.72751 1.75826 1.76264 1.76400 Alpha virt. eigenvalues -- 1.76879 1.77699 1.78406 1.79971 1.84688 Alpha virt. eigenvalues -- 1.86024 1.90759 1.93968 1.98155 1.99074 Alpha virt. eigenvalues -- 2.02413 2.03055 2.03539 2.05173 2.05988 Alpha virt. eigenvalues -- 2.08275 2.09823 2.12058 2.13832 2.14259 Alpha virt. eigenvalues -- 2.15979 2.16978 2.18212 2.18986 2.20627 Alpha virt. eigenvalues -- 2.21348 2.21734 2.25821 2.25998 2.27291 Alpha virt. eigenvalues -- 2.27754 2.30027 2.32282 2.32486 2.34386 Alpha virt. eigenvalues -- 2.35690 2.37245 2.39534 2.41057 2.42676 Alpha virt. eigenvalues -- 2.45277 2.46026 2.47371 2.49475 2.50919 Alpha virt. eigenvalues -- 2.51971 2.52523 2.55110 2.56995 2.58150 Alpha virt. eigenvalues -- 2.59951 2.62994 2.64333 2.64462 2.65177 Alpha virt. eigenvalues -- 2.66900 2.67897 2.70703 2.74240 2.74609 Alpha virt. eigenvalues -- 2.77839 2.81541 2.82416 2.83587 2.85457 Alpha virt. eigenvalues -- 2.86883 2.90239 2.93547 2.94450 2.96940 Alpha virt. eigenvalues -- 2.98417 3.01114 3.01820 3.02999 3.06162 Alpha virt. eigenvalues -- 3.07471 3.09503 3.09918 3.12490 3.14974 Alpha virt. eigenvalues -- 3.19395 3.20963 3.21508 3.28344 3.29113 Alpha virt. eigenvalues -- 3.32722 3.36447 3.37080 3.57007 3.59334 Alpha virt. eigenvalues -- 3.70682 3.80412 3.85305 4.20329 4.42367 Alpha virt. eigenvalues -- 4.46509 4.48552 4.50638 4.52794 4.55306 Alpha virt. eigenvalues -- 4.60240 4.61279 4.66020 4.72409 4.74313 Alpha virt. eigenvalues -- 4.74930 4.83039 4.91080 4.97959 5.03683 Alpha virt. eigenvalues -- 5.05307 5.16554 9.27408 74.80983 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.609595 0.379126 0.208948 0.000007 0.000209 0.003114 2 C 0.379126 5.191007 -0.066521 -0.000000 0.000049 -0.000266 3 O 0.208948 -0.066521 8.428695 -0.000000 0.000001 -0.000022 4 N 0.000007 -0.000000 -0.000000 7.573906 0.261212 -0.089244 5 C 0.000209 0.000049 0.000001 0.261212 4.279393 0.515644 6 N 0.003114 -0.000266 -0.000022 -0.089244 0.515644 7.095126 7 C -0.017791 -0.001789 0.000792 0.003903 -0.020520 0.389293 8 O 0.004993 -0.001654 0.000137 0.000003 0.001938 -0.087763 9 N 0.185131 -0.089196 -0.043567 -0.000468 -0.012753 -0.105038 10 C -0.027301 -0.002788 -0.001975 0.002827 -0.055242 -0.013824 11 C 0.001214 -0.000242 0.000298 -0.085278 0.378615 -0.048991 12 H 0.419690 -0.052622 -0.029931 0.000000 -0.000036 0.000273 13 H -0.030233 0.374952 0.003354 0.000000 -0.000012 -0.000007 14 H -0.038983 0.383862 0.000628 0.000000 -0.000000 0.000002 15 H 0.000000 0.000000 0.000000 0.294333 -0.019677 0.001543 16 C 0.000000 -0.000000 -0.000000 0.193500 -0.016154 0.005192 17 H -0.001945 -0.000100 0.006714 -0.000065 0.002374 -0.000267 18 Br -0.000051 0.000001 -0.000003 -0.004674 -0.040720 0.001257 19 H -0.029758 0.378307 0.000399 -0.000000 -0.000008 -0.000007 20 H -0.022133 -0.000574 0.260395 0.000000 -0.000000 0.000002 21 O 0.000000 -0.000000 -0.000000 -0.114271 0.016897 -0.063965 22 C 0.000000 -0.000000 0.000000 -0.109883 0.003170 -0.000728 23 C -0.000000 0.000000 0.000000 0.006844 -0.000101 0.000033 24 C -0.000000 0.000000 0.000000 -0.000052 0.000001 0.000000 25 C 0.000000 -0.000000 -0.000000 -0.000006 0.000000 -0.000000 26 C -0.000000 0.000000 -0.000000 0.000075 -0.000001 0.000000 27 C -0.000000 0.000000 -0.000000 -0.002651 0.000260 0.000008 28 H -0.000000 -0.000000 0.000000 0.000447 -0.000006 0.000010 29 H -0.000000 0.000000 -0.000000 0.000001 -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 0.000004 0.000000 0.000000 32 H 0.000000 -0.000000 -0.000000 0.001532 0.000158 -0.000000 7 8 9 10 11 12 1 C -0.017791 0.004993 0.185131 -0.027301 0.001214 0.419690 2 C -0.001789 -0.001654 -0.089196 -0.002788 -0.000242 -0.052622 3 O 0.000792 0.000137 -0.043567 -0.001975 0.000298 -0.029931 4 N 0.003903 0.000003 -0.000468 0.002827 -0.085278 0.000000 5 C -0.020520 0.001938 -0.012753 -0.055242 0.378615 -0.000036 6 N 0.389293 -0.087763 -0.105038 -0.013824 -0.048991 0.000273 7 C 3.889160 0.603087 0.221046 -0.034178 -0.023894 -0.002586 8 O 0.603087 8.203627 -0.111625 0.001194 0.000176 0.008760 9 N 0.221046 -0.111625 7.531055 0.292520 -0.037113 -0.044319 10 C -0.034178 0.001194 0.292520 4.670055 0.612568 0.003730 11 C -0.023894 0.000176 -0.037113 0.612568 5.147916 0.000068 12 H -0.002586 0.008760 -0.044319 0.003730 0.000068 0.459779 13 H 0.001375 0.002808 -0.002151 0.000314 0.000014 0.000066 14 H 0.000054 -0.000013 0.005513 -0.000068 0.000002 -0.001241 15 H -0.000033 0.000001 0.000000 0.000168 -0.002287 -0.000000 16 C -0.000246 -0.000024 0.000028 -0.000068 0.004300 0.000000 17 H 0.000476 -0.000056 -0.027405 0.378467 -0.028573 0.000196 18 Br 0.000407 0.000001 0.001584 -0.043662 0.273017 0.000001 19 H 0.000071 -0.000010 -0.004441 0.002437 0.000107 0.003582 20 H 0.000025 0.000009 0.004798 -0.000017 0.000006 -0.002259 21 O -0.000530 0.000017 -0.000014 -0.000010 0.000454 0.000000 22 C -0.000003 -0.000000 -0.000000 0.000001 -0.000041 0.000000 23 C 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 24 C 0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000000 25 C -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 26 C 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 27 C 0.000000 -0.000000 0.000000 -0.000000 -0.000019 -0.000000 28 H 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 29 H -0.000000 -0.000000 0.000000 -0.000000 0.000000 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 0.000000 32 H 0.000000 -0.000000 -0.000000 -0.000000 -0.000004 -0.000000 13 14 15 16 17 18 1 C -0.030233 -0.038983 0.000000 0.000000 -0.001945 -0.000051 2 C 0.374952 0.383862 0.000000 -0.000000 -0.000100 0.000001 3 O 0.003354 0.000628 0.000000 -0.000000 0.006714 -0.000003 4 N 0.000000 0.000000 0.294333 0.193500 -0.000065 -0.004674 5 C -0.000012 -0.000000 -0.019677 -0.016154 0.002374 -0.040720 6 N -0.000007 0.000002 0.001543 0.005192 -0.000267 0.001257 7 C 0.001375 0.000054 -0.000033 -0.000246 0.000476 0.000407 8 O 0.002808 -0.000013 0.000001 -0.000024 -0.000056 0.000001 9 N -0.002151 0.005513 0.000000 0.000028 -0.027405 0.001584 10 C 0.000314 -0.000068 0.000168 -0.000068 0.378467 -0.043662 11 C 0.000014 0.000002 -0.002287 0.004300 -0.028573 0.273017 12 H 0.000066 -0.001241 -0.000000 0.000000 0.000196 0.000001 13 H 0.489262 -0.019383 -0.000000 0.000000 -0.000010 0.000000 14 H -0.019383 0.535355 -0.000000 0.000000 -0.000013 -0.000000 15 H -0.000000 -0.000000 0.261004 -0.004186 -0.000004 0.017329 16 C 0.000000 0.000000 -0.004186 4.060030 0.000000 0.000464 17 H -0.000010 -0.000013 -0.000004 0.000000 0.370154 0.001464 18 Br 0.000000 -0.000000 0.017329 0.000464 0.001464 34.897802 19 H -0.022004 -0.024212 0.000000 0.000000 0.000495 0.000001 20 H 0.000038 0.001770 -0.000000 0.000000 -0.000155 -0.000000 21 O -0.000000 0.000000 0.002263 0.616330 -0.000000 0.000002 22 C -0.000000 0.000000 -0.004648 0.398616 -0.000000 0.000000 23 C -0.000000 -0.000000 -0.000328 -0.033002 0.000000 0.000001 24 C 0.000000 -0.000000 -0.000004 0.003028 -0.000000 -0.000000 25 C 0.000000 0.000000 0.000008 0.000078 -0.000000 0.000000 26 C 0.000000 -0.000000 -0.000008 0.002096 0.000000 -0.000007 27 C 0.000000 -0.000000 0.004666 -0.035350 0.000000 -0.000355 28 H 0.000000 0.000000 -0.000013 -0.003678 0.000000 0.000000 29 H -0.000000 -0.000000 0.000000 -0.000076 0.000000 -0.000000 30 H -0.000000 0.000000 -0.000000 0.000005 -0.000000 0.000000 31 H 0.000000 -0.000000 -0.000009 -0.000082 0.000000 -0.000001 32 H 0.000000 0.000000 0.005845 -0.002337 0.000000 0.000565 19 20 21 22 23 24 1 C -0.029758 -0.022133 0.000000 0.000000 -0.000000 -0.000000 2 C 0.378307 -0.000574 -0.000000 -0.000000 0.000000 0.000000 3 O 0.000399 0.260395 -0.000000 0.000000 0.000000 0.000000 4 N -0.000000 0.000000 -0.114271 -0.109883 0.006844 -0.000052 5 C -0.000008 -0.000000 0.016897 0.003170 -0.000101 0.000001 6 N -0.000007 0.000002 -0.063965 -0.000728 0.000033 0.000000 7 C 0.000071 0.000025 -0.000530 -0.000003 0.000000 0.000000 8 O -0.000010 0.000009 0.000017 -0.000000 -0.000000 -0.000000 9 N -0.004441 0.004798 -0.000014 -0.000000 0.000000 0.000000 10 C 0.002437 -0.000017 -0.000010 0.000001 -0.000000 -0.000000 11 C 0.000107 0.000006 0.000454 -0.000041 -0.000000 -0.000000 12 H 0.003582 -0.002259 0.000000 0.000000 -0.000000 0.000000 13 H -0.022004 0.000038 -0.000000 -0.000000 -0.000000 0.000000 14 H -0.024212 0.001770 0.000000 0.000000 -0.000000 -0.000000 15 H 0.000000 -0.000000 0.002263 -0.004648 -0.000328 -0.000004 16 C 0.000000 0.000000 0.616330 0.398616 -0.033002 0.003028 17 H 0.000495 -0.000155 -0.000000 -0.000000 0.000000 -0.000000 18 Br 0.000001 -0.000000 0.000002 0.000000 0.000001 -0.000000 19 H 0.528872 -0.000184 -0.000000 0.000000 -0.000000 0.000000 20 H -0.000184 0.298689 0.000000 0.000000 -0.000000 -0.000000 21 O -0.000000 0.000000 8.193353 -0.094080 0.001678 0.000713 22 C 0.000000 0.000000 -0.094080 5.026821 0.602244 -0.047559 23 C -0.000000 -0.000000 0.001678 0.602244 4.916649 0.466004 24 C 0.000000 -0.000000 0.000713 -0.047559 0.466004 4.921383 25 C -0.000000 0.000000 -0.000009 -0.027145 -0.042110 0.603867 26 C -0.000000 0.000000 -0.000049 -0.034097 -0.033932 -0.042032 27 C -0.000000 -0.000000 0.002372 0.462953 -0.050679 -0.032359 28 H -0.000000 -0.000000 0.011748 -0.023237 0.372571 -0.027387 29 H 0.000000 -0.000000 -0.000002 0.001793 -0.026352 0.386078 30 H 0.000000 -0.000000 0.000000 0.000213 0.002557 -0.032627 31 H 0.000000 -0.000000 0.000000 0.002024 0.000293 0.002328 32 H -0.000000 0.000000 -0.000026 -0.036495 0.002507 0.000209 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 -0.000006 0.000075 -0.002651 0.000447 0.000001 -0.000000 5 C 0.000000 -0.000001 0.000260 -0.000006 -0.000000 -0.000000 6 N -0.000000 0.000000 0.000008 0.000010 0.000000 0.000000 7 C -0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 8 O -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 9 N -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 10 C 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000000 11 C 0.000000 -0.000000 -0.000019 0.000000 0.000000 0.000000 12 H -0.000000 -0.000000 -0.000000 0.000000 0.000000 -0.000000 13 H 0.000000 0.000000 0.000000 0.000000 -0.000000 -0.000000 14 H 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 15 H 0.000008 -0.000008 0.004666 -0.000013 0.000000 -0.000000 16 C 0.000078 0.002096 -0.035350 -0.003678 -0.000076 0.000005 17 H -0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 18 Br 0.000000 -0.000007 -0.000355 0.000000 -0.000000 0.000000 19 H -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 20 H 0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 21 O -0.000009 -0.000049 0.002372 0.011748 -0.000002 0.000000 22 C -0.027145 -0.034097 0.462953 -0.023237 0.001793 0.000213 23 C -0.042110 -0.033932 -0.050679 0.372571 -0.026352 0.002557 24 C 0.603867 -0.042032 -0.032359 -0.027387 0.386078 -0.032627 25 C 4.875538 0.493225 -0.047764 0.002080 -0.033297 0.385244 26 C 0.493225 4.880030 0.611014 0.000024 0.002757 -0.029122 27 C -0.047764 0.611014 4.927565 0.002804 0.000233 0.002739 28 H 0.002080 0.000024 0.002804 0.398834 -0.000783 -0.000089 29 H -0.033297 0.002757 0.000233 -0.000783 0.457615 -0.002092 30 H 0.385244 -0.029122 0.002739 -0.000089 -0.002092 0.463152 31 H -0.027828 0.385533 -0.032325 0.000010 -0.000109 -0.000970 32 H 0.002555 -0.023808 0.373053 -0.000100 0.000010 -0.000113 31 32 1 C -0.000000 0.000000 2 C 0.000000 -0.000000 3 O 0.000000 -0.000000 4 N 0.000004 0.001532 5 C 0.000000 0.000158 6 N 0.000000 -0.000000 7 C -0.000000 0.000000 8 O -0.000000 -0.000000 9 N 0.000000 -0.000000 10 C -0.000000 -0.000000 11 C -0.000000 -0.000004 12 H 0.000000 -0.000000 13 H 0.000000 0.000000 14 H -0.000000 0.000000 15 H -0.000009 0.005845 16 C -0.000082 -0.002337 17 H 0.000000 0.000000 18 Br -0.000001 0.000565 19 H 0.000000 -0.000000 20 H -0.000000 0.000000 21 O 0.000000 -0.000026 22 C 0.002024 -0.036495 23 C 0.000293 0.002507 24 C 0.002328 0.000209 25 C -0.027828 0.002555 26 C 0.385533 -0.023808 27 C -0.032325 0.373053 28 H 0.000010 -0.000100 29 H -0.000109 0.000010 30 H -0.000970 -0.000113 31 H 0.464430 -0.001935 32 H -0.001935 0.481532 Mulliken charges: 1 1 C 0.356167 2 C -0.491550 3 O -0.768342 4 N -0.932003 5 C 0.705305 6 N -0.601375 7 C 0.991882 8 O -0.625604 9 N -0.763586 10 C 0.214850 11 C -0.192310 12 H 0.236849 13 H 0.201616 14 H 0.156728 15 H 0.444038 16 C 0.811538 17 H 0.298253 18 Br -0.104422 19 H 0.166352 20 H 0.459591 21 O -0.572871 22 C -0.119920 23 C -0.184877 24 C -0.201591 25 C -0.184436 26 C -0.211695 27 C -0.186166 28 H 0.266765 29 H 0.214223 30 H 0.211103 31 H 0.208637 32 H 0.196851 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.593017 2 C 0.033146 3 O -0.308751 4 N -0.487965 5 C 0.705305 6 N -0.601375 7 C 0.991882 8 O -0.625604 9 N -0.763586 10 C 0.513103 11 C -0.192310 16 C 0.811538 18 Br -0.104422 21 O -0.572871 22 C -0.119920 23 C 0.081888 24 C 0.012632 25 C 0.026667 26 C -0.003058 27 C 0.010685 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147187740 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= 25.16 Shift= 11.519604 5.593994 1.586302 Box 1 Number 0 centers from 1 to 112: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.89D+01 RnKept= 2.27D+01 NSMCal= 6328 NSMKep= 4540 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 4540 NTPThr= 100 NPartT= 1 Incr= 45 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 45. PRISM was handed 2146761419 working-precision words and 4540 shell-pairs IPart= 0 NShTot= 4540 NBatch= 102 AvBLen= 44.5 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 46. Electronic moments (au): -170.00000000 -0.39631618 2.31101553 0.38941533 -6829.15043082 -1946.14745282 -190.27626305 0.78973113 -1.47854275 -0.31697926 -12893.77788835 -1982.25093953 -147.39877253 1303.32324118 6977.63052382 -619.29890693 802.39666736 179.73923486 -12.62887589 -321.22219704 -613302.28090993 -47144.45990994 -1256.66740086 -4671.10001185 372.51039383 1711.57630940 -647.68225991 1330.46933196 383.27362899 -39898.09403261 -12554.26524338 -1467.95676556 3080.98685799 496.46845946 -1368.34277956 Electronic spatial extent (au): = 8965.5741 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 170.00000000 0.00000000 0.00000000 -0.00000000 6772.26821956 1837.79574786 92.41337042 0.00000000 0.00000000 -0.00000000 12727.59102804 2180.94405826 143.36004358 -1265.87817251 -6987.37924680 622.46616585 -848.55136795 -152.72625876 16.71657881 319.79634821 595489.93675018 41261.17925735 581.20212235 4861.32087414 -119.39458687 -2105.89507091 637.05021382 -1296.98047797 -370.04900483 35168.33109698 8090.22623639 420.08656393 -3018.36626442 -488.62826015 1374.13870329 Total moments (au): -0.00000000 -0.39631618 2.31101553 0.38941533 -56.88221126 -108.35170496 -97.86289262 0.78973113 -1.47854275 -0.31697926 -166.18686032 198.69311872 -4.03872895 37.44506867 -9.74872298 3.16725892 -46.15470060 27.01297610 4.08770292 -1.42584883 -17812.34415975 -5883.28065259 -675.46527852 190.22086229 253.11580696 -394.31876151 -10.63204610 33.48885399 13.22462417 -4729.76293563 -4464.03900699 -1047.87020163 62.62059357 7.84019931 5.79592373 Traceless Quadrup. (au): 30.81672502 -20.65276868 -10.16395634 0.78973113 -1.47854275 -0.31697926 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= -1.0073 Y= 5.8740 Z= 0.9898 Tot= 6.0414 Quadrupole moment (field-independent basis, Debye-Ang): XX= -76.5085 YY= -145.7368 ZZ= -131.6289 XY= 1.0622 XZ= -1.9887 YZ= -0.4263 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 41.4496 YY= -27.7787 ZZ= -13.6709 XY= 1.0622 XZ= -1.9887 YZ= -0.4263 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -118.2854 YYY= 141.4221 ZZZ= -2.8746 XYY= 26.6520 XXY= -6.9388 XXZ= 2.2543 XZZ= -32.8511 YZZ= 19.2268 YYZ= 2.9095 XYZ= -1.0149 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -6708.9829 YYYY= -2215.9256 ZZZZ= -254.4126 XXXY= 71.6463 XXXZ= 95.3356 YYYX= -148.5194 YYYZ= -4.0045 ZZZX= 12.6135 ZZZY= 4.9810 XXYY= -1781.4555 XXZZ= -1681.3711 YYZZ= -394.6782 XXYZ= 23.5859 YYXZ= 2.9530 ZZXY= 2.1830 N-N= 1.866945529853D+03 E-N=-1.194611003954D+04 KE= 3.443496082926D+03 Entering OneElI... OneElI was handed 2147244199 working-precision words. Calculate electrostatic properties NBasis = 339 MinDer = 0 MaxDer = 0 NGrid = 32 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 32.44 SMaxX= 25.16 Shift= 11.519604 5.593994 1.586302 Box 1 Number 0 centers from 1 to 112: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.24D+01 RnKept= 1.80D+01 NSMCal= 6328 NSMKep= 3832 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 122624 NTPThr= 100 NPartT= 12 Incr= 102 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 102. PRISM was handed 178797054 working-precision words and 3832 shell-pairs PRISM was handed 178797054 working-precision words and 3832 shell-pairs PRISM was handed 178797054 working-precision words and 3832 shell-pairs PRISM was handed 178797054 working-precision words and 3832 shell-pairs PRISM was handed 178797054 working-precision words and 3832 shell-pairs PRISM was handed 178797054 working-precision words and 3832 shell-pairs PRISM was handed 178797054 working-precision words and 3832 shell-pairs PRISM was handed 178797054 working-precision words and 3832 shell-pairs PRISM was handed 178797054 working-precision words and 3832 shell-pairs PRISM was handed 178797054 working-precision words and 3832 shell-pairs PRISM was handed 178797054 working-precision words and 3832 shell-pairs PRISM was handed 178797054 working-precision words and 3832 shell-pairs IPart= 6 NShTot= 10080 NBatch= 315 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 5 NShTot= 10080 NBatch= 315 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 7 NShTot= 9856 NBatch= 308 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 11936 NBatch= 373 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 10 NShTot= 9440 NBatch= 295 AvBLen= 32.0 IPart= 11 NShTot= 9280 NBatch= 290 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 9632 NBatch= 301 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 9696 NBatch= 303 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 10240 NBatch= 320 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. 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= 3. IPart= 3 NShTot= 10528 NBatch= 329 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 11072 NBatch= 346 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 1 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 -0.245573 0.055905 0.189668 2 Atom -0.006652 0.030132 -0.023480 3 Atom -1.504884 0.162997 1.341887 4 Atom -0.557409 -0.331898 0.889308 5 Atom 0.070366 0.335209 -0.405575 6 Atom -0.021955 0.414038 -0.392083 7 Atom 0.151198 0.287466 -0.438664 8 Atom 1.492385 -0.853390 -0.638995 9 Atom -0.387762 -0.497034 0.884796 10 Atom 0.347851 0.070054 -0.417905 11 Atom 0.216686 -0.452321 0.235636 12 Atom 0.113303 -0.171599 0.058296 13 Atom 0.041136 -0.072052 0.030916 14 Atom -0.270107 0.133646 0.136461 15 Atom 0.124460 -0.397362 0.272903 16 Atom 0.272291 0.238662 -0.510953 17 Atom -0.060729 -0.118730 0.179459 18 Atom 2.333304 -6.270314 3.937010 19 Atom 0.134666 -0.191680 0.057014 20 Atom -0.364393 0.155397 0.208996 21 Atom 1.808990 -0.802246 -1.006744 22 Atom 0.062332 0.145666 -0.207998 23 Atom 0.176613 0.263079 -0.439692 24 Atom 0.107440 0.217359 -0.324799 25 Atom 0.146553 0.220204 -0.366757 26 Atom 0.200428 0.119524 -0.319952 27 Atom 0.218318 0.094886 -0.313203 28 Atom 0.119541 -0.296112 0.176571 29 Atom -0.050805 -0.139443 0.190248 30 Atom -0.339009 0.150513 0.188497 31 Atom 0.105656 -0.295270 0.189613 32 Atom -0.064158 -0.136180 0.200338 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.087467 -0.128694 0.242265 2 Atom -0.010532 0.020562 -0.025792 3 Atom 0.402279 -0.663712 1.028544 4 Atom -0.033066 -0.028844 -0.033752 5 Atom 0.025386 0.010378 0.023984 6 Atom -0.760865 -0.018198 0.011941 7 Atom 0.151095 0.023229 0.016226 8 Atom -0.749499 -0.010736 -0.016797 9 Atom -0.058758 -0.040861 -0.058796 10 Atom -0.124885 0.009270 0.008575 11 Atom -0.151716 -0.004728 -0.023128 12 Atom -0.059208 -0.029912 -0.156990 13 Atom 0.148140 -0.100731 0.154864 14 Atom -0.087539 -0.005479 -0.000137 15 Atom -0.178129 -0.007686 -0.021741 16 Atom 0.136266 0.018613 0.023055 17 Atom 0.248714 0.007914 -0.004730 18 Atom -3.066265 -0.112289 -0.357333 19 Atom -0.061804 -0.023448 -0.169007 20 Atom -0.118375 -0.002449 0.025060 21 Atom -0.710863 0.035721 -0.008747 22 Atom -0.074915 0.003404 0.007708 23 Atom -0.012370 0.011740 0.018032 24 Atom 0.019519 0.008983 0.014529 25 Atom 0.049527 0.011471 0.016285 26 Atom 0.029712 0.011033 0.011990 27 Atom 0.025365 0.011014 0.011043 28 Atom -0.152481 -0.005046 -0.015186 29 Atom 0.257746 0.002098 -0.003668 30 Atom -0.093715 -0.013057 -0.002880 31 Atom -0.166626 -0.006004 -0.015957 32 Atom 0.260360 0.001598 -0.003612 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.5629 2.704 0.965 0.902 0.9892 0.1449 0.0230 4 N(14) Bbb -0.3279 1.575 0.562 0.525 -0.1455 0.9891 0.0240 Bcc 0.8908 -4.278 -1.527 -1.427 -0.0193 -0.0271 0.9994 Baa -0.5957 2.861 1.021 0.954 0.7983 0.6011 0.0361 6 N(14) Bbb -0.3921 1.883 0.672 0.628 -0.0199 -0.0336 0.9992 Bcc 0.9878 -4.744 -1.693 -1.582 -0.6019 0.7984 0.0148 Baa -0.5261 2.527 0.902 0.843 0.4028 0.9139 0.0498 9 N(14) Bbb -0.3623 1.740 0.621 0.580 0.9148 -0.4038 0.0109 Bcc 0.8884 -4.267 -1.523 -1.423 -0.0301 -0.0411 0.9987 Baa -7.2638 534.208 190.619 178.193 0.3045 0.9519 0.0334 18 Br(79) Bbb 3.3142 -243.743 -86.974 -81.304 0.9525 -0.3046 -0.0030 Bcc 3.9495 -290.465 -103.645 -96.889 -0.0073 -0.0328 0.9994 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Tue May 7 12:13:48 2024, MaxMem= 2147483648 cpu: 1.4 elap: 0.2 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 6 1.50 6 7 1.50 7 6 1.50 8 8 1.40 9 7 1.50 10 6 1.50 11 6 1.50 12 1 1.20 13 1 1.20 14 1 1.20 15 1 1.20 16 6 1.50 17 1 1.20 18 35 2.30 19 1 1.20 20 1 1.20 21 8 1.40 22 6 1.50 23 6 1.50 24 6 1.50 25 6 1.50 26 6 1.50 27 6 1.50 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 -4.422228 -1.054214 -0.153072 Atomic Center 2 is at -4.943196 -1.118234 1.291042 Atomic Center 3 is at -5.129110 -0.021674 -0.839435 Atomic Center 4 is at 1.061275 0.017971 -0.025351 Atomic Center 5 is at -0.315615 -0.272218 -0.059257 Atomic Center 6 is at -0.719664 -1.479675 -0.101946 Atomic Center 7 is at -2.084202 -1.781411 -0.136157 Atomic Center 8 is at -2.453956 -2.960214 -0.176431 Atomic Center 9 is at -3.022388 -0.754470 -0.121997 Atomic Center 10 is at -2.591378 0.564432 -0.075564 Atomic Center 11 is at -1.288378 0.830118 -0.044086 Atomic Center 12 is at -4.587058 -2.029155 -0.631075 Atomic Center 13 is at -4.406405 -1.905186 1.839635 Atomic Center 14 is at -6.019209 -1.344439 1.282011 Atomic Center 15 is at 1.348218 0.960432 0.005846 Atomic Center 16 is at 1.974634 -0.963425 -0.034779 Atomic Center 17 is at -3.295605 1.356380 -0.063530 Atomic Center 18 is at -0.646471 2.788842 0.024743 Atomic Center 19 is at -4.777258 -0.149064 1.783274 Atomic Center 20 is at -6.095912 -0.228515 -0.837378 Atomic Center 21 is at 1.614437 -2.145021 -0.074118 Atomic Center 22 is at 3.420951 -0.667942 0.000508 Atomic Center 23 is at 4.289054 -1.678951 -0.009114 Atomic Center 24 is at 5.727847 -1.416211 0.026692 Atomic Center 25 is at 6.176680 -0.163649 0.067181 Atomic Center 26 is at 5.230896 0.950773 0.077985 Atomic Center 27 is at 3.920867 0.714642 0.046180 Atomic Center 28 is at 3.935286 -2.678736 -0.041842 Atomic Center 29 is at 6.414266 -2.224801 0.018642 Atomic Center 30 is at 7.220109 0.024744 0.093141 Atomic Center 31 is at 5.588487 1.949442 0.111088 Atomic Center 32 is at 3.240437 1.525666 0.053767 ESP Fit Center 33 is at -3.726259 -1.456032 -2.093219 ESP Fit Center 34 is at -4.012538 -1.054214 -2.212721 ESP Fit Center 35 is at -4.627072 -1.409016 -2.212721 ESP Fit Center 36 is at -4.217383 -1.409016 -2.212721 ESP Fit Center 37 is at -4.943196 -1.118234 3.391042 ESP Fit Center 38 is at -4.533506 -1.118234 3.350691 ESP Fit Center 39 is at -4.738351 -0.763433 3.350691 ESP Fit Center 40 is at -5.148041 -0.763433 3.350691 ESP Fit Center 41 is at -5.352886 -1.118234 3.350691 ESP Fit Center 42 is at -5.148041 -1.473036 3.350691 ESP Fit Center 43 is at -5.639164 -0.716417 3.231189 ESP Fit Center 44 is at -5.746831 -1.118234 3.231189 ESP Fit Center 45 is at -5.639164 -1.520052 3.231189 ESP Fit Center 46 is at -5.345014 -1.814203 3.231189 ESP Fit Center 47 is at -5.935142 -0.504047 3.037128 ESP Fit Center 48 is at -6.090028 -0.903854 3.037128 ESP Fit Center 49 is at -6.090028 -1.332614 3.037128 ESP Fit Center 50 is at -5.935142 -1.732421 3.037128 ESP Fit Center 51 is at -5.646288 -2.049279 3.037128 ESP Fit Center 52 is at -3.518422 -0.699883 2.775966 ESP Fit Center 53 is at -6.192394 -0.315424 2.775966 ESP Fit Center 54 is at -5.915615 -2.240465 2.775966 ESP Fit Center 55 is at -3.247848 -0.700369 2.457739 ESP Fit Center 56 is at -5.935086 -2.555235 2.457739 ESP Fit Center 57 is at -3.048408 -0.701160 2.094677 ESP Fit Center 58 is at -6.505971 0.223364 1.700731 ESP Fit Center 59 is at -5.850253 -2.967397 1.700731 ESP Fit Center 60 is at -6.428120 0.366690 1.291042 ESP Fit Center 61 is at -5.746831 -3.058381 1.291042 ESP Fit Center 62 is at -6.203919 0.510486 0.881352 ESP Fit Center 63 is at -6.505971 0.223364 0.881352 ESP Fit Center 64 is at -5.850253 -2.967397 0.881352 ESP Fit Center 65 is at -5.459452 -3.112133 0.881352 ESP Fit Center 66 is at -5.047515 -3.175240 0.881352 ESP Fit Center 67 is at -5.661318 -2.920586 0.487406 ESP Fit Center 68 is at -5.444386 1.086406 0.746238 ESP Fit Center 69 is at -5.823381 0.897689 0.746238 ESP Fit Center 70 is at -6.108611 0.584807 0.746238 ESP Fit Center 71 is at -4.921820 1.420064 0.472061 ESP Fit Center 72 is at -5.336401 1.420064 0.472061 ESP Fit Center 73 is at -5.734189 1.303263 0.472061 ESP Fit Center 74 is at -6.082957 1.079123 0.472061 ESP Fit Center 75 is at -5.022529 1.672386 0.140565 ESP Fit Center 76 is at -5.447173 1.645670 0.140565 ESP Fit Center 77 is at -5.851832 1.514188 0.140565 ESP Fit Center 78 is at -6.211080 1.286203 0.140565 ESP Fit Center 79 is at -5.129110 1.842397 -0.233762 ESP Fit Center 80 is at -5.543905 1.795660 -0.233762 ESP Fit Center 81 is at -5.937900 1.657796 -0.233762 ESP Fit Center 82 is at -6.291339 1.435715 -0.233762 ESP Fit Center 83 is at -5.023579 1.924730 -0.634559 ESP Fit Center 84 is at -5.444466 1.901910 -0.634559 ESP Fit Center 85 is at -5.850607 1.789146 -0.634559 ESP Fit Center 86 is at -6.223011 1.591709 -0.634559 ESP Fit Center 87 is at -4.607627 1.856538 -1.044311 ESP Fit Center 88 is at -5.023579 1.924730 -1.044311 ESP Fit Center 89 is at -5.444466 1.901910 -1.044311 ESP Fit Center 90 is at -5.850607 1.789146 -1.044311 ESP Fit Center 91 is at -6.223011 1.591709 -1.044311 ESP Fit Center 92 is at -4.320320 1.657796 -1.445108 ESP Fit Center 93 is at -4.714316 1.795660 -1.445108 ESP Fit Center 94 is at -5.129110 1.842397 -1.445108 ESP Fit Center 95 is at -5.543905 1.795660 -1.445108 ESP Fit Center 96 is at -5.937900 1.657796 -1.445108 ESP Fit Center 97 is at -6.291339 1.435715 -1.445108 ESP Fit Center 98 is at -3.891752 1.140283 -1.819435 ESP Fit Center 99 is at -4.219593 1.411496 -1.819435 ESP Fit Center 100 is at -4.604582 1.592658 -1.819435 ESP Fit Center 101 is at -5.022529 1.672386 -1.819435 ESP Fit Center 102 is at -5.447173 1.645670 -1.819435 ESP Fit Center 103 is at -5.851832 1.514188 -1.819435 ESP Fit Center 104 is at -6.211080 1.286203 -1.819435 ESP Fit Center 105 is at -3.672547 -0.021674 -2.150931 ESP Fit Center 106 is at -3.731548 0.388687 -2.150931 ESP Fit Center 107 is at -3.903771 0.765804 -2.150931 ESP Fit Center 108 is at -4.175264 1.079123 -2.150931 ESP Fit Center 109 is at -4.524032 1.303263 -2.150931 ESP Fit Center 110 is at -4.921820 1.420064 -2.150931 ESP Fit Center 111 is at -5.336401 1.420064 -2.150931 ESP Fit Center 112 is at -5.734189 1.303263 -2.150931 ESP Fit Center 113 is at -6.082957 1.079123 -2.150931 ESP Fit Center 114 is at -5.734189 -1.346611 -2.150931 ESP Fit Center 115 is at -5.336401 -1.463412 -2.150931 ESP Fit Center 116 is at -3.731548 -0.432036 -2.150931 ESP Fit Center 117 is at -3.977051 -0.021674 -2.425108 ESP Fit Center 118 is at -4.054847 0.394498 -2.425108 ESP Fit Center 119 is at -4.277728 0.754463 -2.425108 ESP Fit Center 120 is at -4.615593 1.009607 -2.425108 ESP Fit Center 121 is at -5.022812 1.125470 -2.425108 ESP Fit Center 122 is at -5.444386 1.086406 -2.425108 ESP Fit Center 123 is at -5.823381 0.897689 -2.425108 ESP Fit Center 124 is at -6.108611 0.584807 -2.425108 ESP Fit Center 125 is at -5.823381 -0.941037 -2.425108 ESP Fit Center 126 is at -5.444386 -1.129754 -2.425108 ESP Fit Center 127 is at -5.022812 -1.168819 -2.425108 ESP Fit Center 128 is at -4.615593 -1.052955 -2.425108 ESP Fit Center 129 is at -4.277728 -0.797811 -2.425108 ESP Fit Center 130 is at -4.054847 -0.437846 -2.425108 ESP Fit Center 131 is at -4.331907 -0.021674 -2.629984 ESP Fit Center 132 is at -4.438712 0.376928 -2.629984 ESP Fit Center 133 is at -4.730508 0.668725 -2.629984 ESP Fit Center 134 is at -5.129110 0.775530 -2.629984 ESP Fit Center 135 is at -5.527712 0.668725 -2.629984 ESP Fit Center 136 is at -5.819509 0.376928 -2.629984 ESP Fit Center 137 is at -5.926314 -0.021674 -2.629984 ESP Fit Center 138 is at -5.819509 -0.420276 -2.629984 ESP Fit Center 139 is at -5.527712 -0.712073 -2.629984 ESP Fit Center 140 is at -5.129110 -0.818878 -2.629984 ESP Fit Center 141 is at -4.730508 -0.712073 -2.629984 ESP Fit Center 142 is at -4.438712 -0.420276 -2.629984 ESP Fit Center 143 is at -4.721603 -0.021674 -2.756604 ESP Fit Center 144 is at -4.925357 0.331237 -2.756604 ESP Fit Center 145 is at -5.332864 0.331237 -2.756604 ESP Fit Center 146 is at -5.536617 -0.021674 -2.756604 ESP Fit Center 147 is at -5.332864 -0.374586 -2.756604 ESP Fit Center 148 is at -4.925357 -0.374586 -2.756604 ESP Fit Center 149 is at -5.129110 -0.021674 -2.799435 ESP Fit Center 150 is at 1.061275 0.017971 2.074649 ESP Fit Center 151 is at 1.470964 0.017971 2.034299 ESP Fit Center 152 is at 1.266120 0.372773 2.034299 ESP Fit Center 153 is at 0.856430 0.372773 2.034299 ESP Fit Center 154 is at 0.651585 0.017971 2.034299 ESP Fit Center 155 is at 0.856430 -0.336830 2.034299 ESP Fit Center 156 is at 1.266120 -0.336830 2.034299 ESP Fit Center 157 is at 1.864910 0.017971 1.914796 ESP Fit Center 158 is at 1.757243 0.419789 1.914796 ESP Fit Center 159 is at 1.463092 0.713940 1.914796 ESP Fit Center 160 is at 0.659457 -0.677997 1.914796 ESP Fit Center 161 is at 1.061275 -0.785664 1.914796 ESP Fit Center 162 is at 2.149188 0.439431 1.720736 ESP Fit Center 163 is at 1.923475 0.803970 1.720736 ESP Fit Center 164 is at 1.581317 1.062356 1.720736 ESP Fit Center 165 is at 0.741993 -1.104188 1.720736 ESP Fit Center 166 is at 2.310473 0.820782 1.459574 ESP Fit Center 167 is at 2.310473 0.820782 -1.510275 ESP Fit Center 168 is at 2.149188 0.439431 -1.771437 ESP Fit Center 169 is at 1.923475 0.803970 -1.771437 ESP Fit Center 170 is at 1.581317 1.062356 -1.771437 ESP Fit Center 171 is at 0.741993 -1.104188 -1.771437 ESP Fit Center 172 is at 1.864910 0.017971 -1.965498 ESP Fit Center 173 is at 1.757243 0.419789 -1.965498 ESP Fit Center 174 is at 1.463092 0.713940 -1.965498 ESP Fit Center 175 is at 1.061275 0.821607 -1.965498 ESP Fit Center 176 is at 0.365306 0.419789 -1.965498 ESP Fit Center 177 is at 0.659457 -0.677997 -1.965498 ESP Fit Center 178 is at 1.061275 -0.785664 -1.965498 ESP Fit Center 179 is at 1.470964 0.017971 -2.085000 ESP Fit Center 180 is at 1.266120 0.372773 -2.085000 ESP Fit Center 181 is at 0.856430 0.372773 -2.085000 ESP Fit Center 182 is at 0.651585 0.017971 -2.085000 ESP Fit Center 183 is at 0.856430 -0.336830 -2.085000 ESP Fit Center 184 is at 1.266120 -0.336830 -2.085000 ESP Fit Center 185 is at 1.061275 0.017971 -2.125351 ESP Fit Center 186 is at -0.315615 -0.272218 2.040743 ESP Fit Center 187 is at 0.094075 -0.272218 2.000392 ESP Fit Center 188 is at -0.110770 0.082584 2.000392 ESP Fit Center 189 is at -0.520460 0.082584 2.000392 ESP Fit Center 190 is at -0.725305 -0.272218 2.000392 ESP Fit Center 191 is at -0.520460 -0.627019 2.000392 ESP Fit Center 192 is at -0.110770 -0.627019 2.000392 ESP Fit Center 193 is at -1.119250 -0.272218 1.880890 ESP Fit Center 194 is at -1.011584 -0.674035 1.880890 ESP Fit Center 195 is at 0.086203 -0.968186 1.880890 ESP Fit Center 196 is at 0.380353 -0.674035 1.880890 ESP Fit Center 197 is at -1.462447 -0.486598 1.686829 ESP Fit Center 198 is at -1.462447 -0.486598 -1.805343 ESP Fit Center 199 is at 0.546585 -1.058217 -1.805343 ESP Fit Center 200 is at -1.119250 -0.272218 -1.999404 ESP Fit Center 201 is at 0.086203 -0.968186 -1.999404 ESP Fit Center 202 is at 0.380353 -0.674035 -1.999404 ESP Fit Center 203 is at 0.094075 -0.272218 -2.118906 ESP Fit Center 204 is at -0.110770 0.082584 -2.118906 ESP Fit Center 205 is at -0.520460 0.082584 -2.118906 ESP Fit Center 206 is at -0.725305 -0.272218 -2.118906 ESP Fit Center 207 is at -0.520460 -0.627019 -2.118906 ESP Fit Center 208 is at -0.110770 -0.627019 -2.118906 ESP Fit Center 209 is at -0.315615 -0.272218 -2.159257 ESP Fit Center 210 is at -0.719664 -1.479675 1.998054 ESP Fit Center 211 is at -0.309974 -1.479675 1.957703 ESP Fit Center 212 is at -0.514819 -1.124873 1.957703 ESP Fit Center 213 is at -0.924509 -1.124873 1.957703 ESP Fit Center 214 is at -1.129354 -1.479675 1.957703 ESP Fit Center 215 is at -0.924509 -1.834476 1.957703 ESP Fit Center 216 is at -0.514819 -1.834476 1.957703 ESP Fit Center 217 is at 0.083971 -1.479675 1.838201 ESP Fit Center 218 is at -1.121481 -0.783706 1.838201 ESP Fit Center 219 is at -1.415632 -1.077857 1.838201 ESP Fit Center 220 is at -1.121481 -2.175643 1.838201 ESP Fit Center 221 is at -0.719664 -2.283310 1.838201 ESP Fit Center 222 is at -0.317846 -2.175643 1.838201 ESP Fit Center 223 is at -0.023695 -1.881492 1.838201 ESP Fit Center 224 is at 0.447034 -1.479675 1.644140 ESP Fit Center 225 is at -1.038946 -2.601834 1.644140 ESP Fit Center 226 is at -0.612015 -2.641395 1.644140 ESP Fit Center 227 is at -0.199622 -2.524059 1.644140 ESP Fit Center 228 is at 0.142536 -2.265674 1.644140 ESP Fit Center 229 is at 0.368249 -1.901134 1.644140 ESP Fit Center 230 is at -0.930991 -2.949484 1.382978 ESP Fit Center 231 is at -0.508337 -2.949484 1.382978 ESP Fit Center 232 is at -0.102804 -2.830409 1.382978 ESP Fit Center 233 is at 0.252755 -2.601905 1.382978 ESP Fit Center 234 is at -0.930131 -3.213030 1.064751 ESP Fit Center 235 is at -0.509196 -3.213030 1.064751 ESP Fit Center 236 is at -0.100493 -3.112293 1.064751 ESP Fit Center 237 is at -0.614626 -3.416976 0.701689 ESP Fit Center 238 is at -0.200620 -3.349103 0.701689 ESP Fit Center 239 is at -0.407776 -3.515572 0.307743 ESP Fit Center 240 is at -0.004337 -3.411115 0.307743 ESP Fit Center 241 is at -0.309974 -3.539324 -0.101946 ESP Fit Center 242 is at 0.083971 -3.419822 -0.101946 ESP Fit Center 243 is at -0.407776 -3.515572 -0.511636 ESP Fit Center 244 is at -0.004337 -3.411115 -0.511636 ESP Fit Center 245 is at -0.614626 -3.416976 -0.905582 ESP Fit Center 246 is at -0.200620 -3.349103 -0.905582 ESP Fit Center 247 is at -0.509196 -3.213030 -1.268644 ESP Fit Center 248 is at -0.100493 -3.112293 -1.268644 ESP Fit Center 249 is at -0.930991 -2.949484 -1.586871 ESP Fit Center 250 is at -0.508337 -2.949484 -1.586871 ESP Fit Center 251 is at -0.102804 -2.830409 -1.586871 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881 is at -2.018600 0.971849 2.301626 ESP Fit Center 882 is at -1.661365 0.750659 2.301626 ESP Fit Center 883 is at -1.269570 0.598876 2.301626 ESP Fit Center 884 is at -0.856555 0.521671 2.301626 ESP Fit Center 885 is at -0.436387 0.521671 2.301626 ESP Fit Center 886 is at -0.023372 0.598876 2.301626 ESP Fit Center 887 is at 0.368424 0.750659 2.301626 ESP Fit Center 888 is at 0.725658 0.971849 2.301626 ESP Fit Center 889 is at 1.036167 1.254915 2.301626 ESP Fit Center 890 is at 1.289375 1.590217 2.301626 ESP Fit Center 891 is at 1.476660 1.966336 2.301626 ESP Fit Center 892 is at 1.591645 2.370465 2.301626 ESP Fit Center 893 is at 1.908127 2.788842 1.984954 ESP Fit Center 894 is at 1.873285 3.209315 1.984954 ESP Fit Center 895 is at 1.769712 3.618318 1.984954 ESP Fit Center 896 is at 1.600231 4.004696 1.984954 ESP Fit Center 897 is at 1.369466 4.357908 1.984954 ESP Fit Center 898 is at 1.083711 4.668320 1.984954 ESP Fit Center 899 is at 0.750762 4.927465 1.984954 ESP Fit Center 900 is at 0.379699 5.128274 1.984954 ESP Fit Center 901 is at -0.019354 5.265269 1.984954 ESP Fit Center 902 is at -0.435514 5.334714 1.984954 ESP Fit Center 903 is at -0.857428 5.334714 1.984954 ESP Fit Center 904 is at -1.273588 5.265269 1.984954 ESP Fit Center 905 is at -1.672641 5.128274 1.984954 ESP Fit Center 906 is at -2.043703 4.927465 1.984954 ESP Fit Center 907 is at -2.376653 4.668320 1.984954 ESP Fit Center 908 is at -2.662408 4.357908 1.984954 ESP Fit Center 909 is at -2.893173 4.004696 1.984954 ESP Fit Center 910 is at -3.062654 3.618318 1.984954 ESP Fit Center 911 is at -3.166227 3.209315 1.984954 ESP Fit Center 912 is at -3.201069 2.788842 1.984954 ESP Fit Center 913 is at -3.166227 2.368369 1.984954 ESP Fit Center 914 is at -3.062654 1.959365 1.984954 ESP Fit Center 915 is at -2.893173 1.572987 1.984954 ESP Fit Center 916 is at -2.662408 1.219775 1.984954 ESP Fit Center 917 is at -2.376653 0.909363 1.984954 ESP Fit Center 918 is at -2.043703 0.650218 1.984954 ESP Fit Center 919 is at -0.857428 0.242969 1.984954 ESP Fit Center 920 is at -0.435514 0.242969 1.984954 ESP Fit Center 921 is at -0.019354 0.312414 1.984954 ESP Fit Center 922 is at 0.379699 0.449409 1.984954 ESP Fit Center 923 is at 0.750762 0.650218 1.984954 ESP Fit Center 924 is at 1.083711 0.909363 1.984954 ESP Fit Center 925 is at 1.369466 1.219775 1.984954 ESP Fit Center 926 is at 1.600231 1.572987 1.984954 ESP Fit Center 927 is at 1.769712 1.959365 1.984954 ESP Fit Center 928 is at 1.873285 2.368369 1.984954 ESP Fit Center 929 is at 2.142131 2.788842 1.634743 ESP Fit Center 930 is at 2.110984 3.204461 1.634743 ESP Fit Center 931 is at 2.018241 3.610796 1.634743 ESP Fit Center 932 is at 1.865972 3.998771 1.634743 ESP Fit Center 933 is at 1.657580 4.359717 1.634743 ESP Fit Center 934 is at 1.397719 4.685572 1.634743 ESP Fit Center 935 is at 1.092194 4.969058 1.634743 ESP Fit Center 936 is at 0.747830 5.203842 1.634743 ESP Fit Center 937 is at 0.372320 5.384678 1.634743 ESP Fit Center 938 is at 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at 2.299470 3.202867 1.256983 ESP Fit Center 958 is at 2.213179 3.608833 1.256983 ESP Fit Center 959 is at 2.071228 3.998839 1.256983 ESP Fit Center 960 is at 1.876381 4.365294 1.256983 ESP Fit Center 961 is at 1.632429 4.701065 1.256983 ESP Fit Center 962 is at 1.344120 4.999617 1.256983 ESP Fit Center 963 is at 1.017068 5.255139 1.256983 ESP Fit Center 964 is at 0.657636 5.462657 1.256983 ESP Fit Center 965 is at 0.272821 5.618132 1.256983 ESP Fit Center 966 is at -0.129886 5.718538 1.256983 ESP Fit Center 967 is at -0.542649 5.761921 1.256983 ESP Fit Center 968 is at -0.957432 5.747437 1.256983 ESP Fit Center 969 is at -1.366162 5.675367 1.256983 ESP Fit Center 970 is at -1.760885 5.547113 1.256983 ESP Fit Center 971 is at -2.133917 5.365174 1.256983 ESP Fit Center 972 is at -2.477997 5.133089 1.256983 ESP Fit Center 973 is at -2.786429 4.855375 1.256983 ESP Fit Center 974 is at -3.053209 4.537439 1.256983 ESP Fit Center 975 is at -3.273145 4.185469 1.256983 ESP Fit Center 976 is at -3.441955 3.806315 1.256983 ESP Fit Center 977 is at -3.556355 3.407356 1.256983 ESP Fit Center 978 is at -3.614116 2.996360 1.256983 ESP Fit Center 979 is at -3.614116 2.581324 1.256983 ESP Fit Center 980 is at 2.299470 2.374817 1.256983 ESP Fit Center 981 is at 2.463810 2.788842 0.858140 ESP Fit Center 982 is at 2.436059 3.203401 0.858140 ESP Fit Center 983 is at 2.353299 3.610564 0.858140 ESP Fit Center 984 is at 2.217009 4.003062 0.858140 ESP Fit Center 985 is at 2.029620 4.373893 0.858140 ESP Fit Center 986 is at 1.794476 4.716438 0.858140 ESP Fit Center 987 is at 1.515773 5.024585 0.858140 ESP Fit Center 988 is at 1.198485 5.292836 0.858140 ESP Fit Center 989 is at 0.848273 5.516402 0.858140 ESP Fit Center 990 is at 0.471388 5.691296 0.858140 ESP Fit Center 991 is at 0.074555 5.814395 0.858140 ESP Fit Center 992 is at -0.335145 5.883502 0.858140 ESP Fit Center 993 is at -0.750401 5.897386 0.858140 ESP Fit Center 994 is at -1.163802 5.855797 0.858140 ESP Fit Center 995 is at -1.567971 5.759479 0.858140 ESP Fit Center 996 is at -1.955696 5.610149 0.858140 ESP Fit Center 997 is at -2.320058 5.410474 0.858140 ESP Fit Center 998 is at -2.654555 5.164015 0.858140 ESP Fit Center 999 is at -2.953218 4.875171 0.858140 ESP Fit Center 1000 is at -3.210716 4.549096 0.858140 ESP Fit Center 1001 is at -3.422455 4.191610 0.858140 ESP Fit Center 1002 is at -3.584657 3.809091 0.858140 ESP Fit Center 1003 is at -3.694427 3.408366 0.858140 ESP Fit Center 1004 is at -3.749806 2.996585 0.858140 ESP Fit Center 1005 is at 2.518670 3.205540 0.445037 ESP Fit Center 1006 is at 2.437201 3.615109 0.445037 ESP Fit Center 1007 is at 2.302971 4.010540 0.445037 ESP Fit Center 1008 is at 2.118274 4.385068 0.445037 ESP Fit Center 1009 is at 1.886272 4.732283 0.445037 ESP Fit Center 1010 is at 1.610934 5.046246 0.445037 ESP Fit Center 1011 is at 1.296971 5.321584 0.445037 ESP Fit Center 1012 is at 0.949755 5.553586 0.445037 ESP Fit Center 1013 is at 0.575228 5.738283 0.445037 ESP Fit Center 1014 is at 0.179797 5.872514 0.445037 ESP Fit Center 1015 is at -0.229772 5.953982 0.445037 ESP Fit Center 1016 is at -0.646471 5.981294 0.445037 ESP Fit Center 1017 is at -1.063170 5.953982 0.445037 ESP Fit Center 1018 is at -1.472738 5.872514 0.445037 ESP Fit Center 1019 is at -1.868170 5.738283 0.445037 ESP Fit Center 1020 is at -2.242697 5.553586 0.445037 ESP Fit Center 1021 is at -2.589913 5.321584 0.445037 ESP Fit Center 1022 is at -2.903876 5.046246 0.445037 ESP Fit Center 1023 is at -3.179214 4.732283 0.445037 ESP Fit Center 1024 is at -3.411216 4.385068 0.445037 ESP Fit Center 1025 is at -3.595912 4.010540 0.445037 ESP Fit Center 1026 is at -3.730143 3.615109 0.445037 ESP Fit Center 1027 is at -3.811612 3.205540 0.445037 ESP Fit Center 1028 is at 2.547093 3.200606 0.024743 ESP Fit Center 1029 is at 2.468219 3.605609 0.024743 ESP Fit Center 1030 is at 2.338201 3.997201 0.024743 ESP Fit Center 1031 is at 2.159175 4.368952 0.024743 ESP Fit Center 1032 is at 1.934081 4.714757 0.024743 ESP Fit Center 1033 is at 1.666614 5.028939 0.024743 ESP Fit Center 1034 is at 1.361166 5.306339 0.024743 ESP Fit Center 1035 is at 1.022753 5.542401 0.024743 ESP Fit Center 1036 is at 0.656931 5.733250 0.024743 ESP Fit Center 1037 is at 0.269708 5.875752 0.024743 ESP Fit Center 1038 is at -0.132559 5.967567 0.024743 ESP Fit Center 1039 is at -0.543265 6.007187 0.024743 ESP Fit Center 1040 is at -0.955665 5.993962 0.024743 ESP Fit Center 1041 is at -1.362988 5.928109 0.024743 ESP Fit Center 1042 is at -1.758546 5.810710 0.024743 ESP Fit Center 1043 is at -2.135844 5.643691 0.024743 ESP Fit Center 1044 is at -2.488687 5.429796 0.024743 ESP Fit Center 1045 is at -2.811280 5.172537 0.024743 ESP Fit Center 1046 is at -3.098327 4.876137 0.024743 ESP Fit Center 1047 is at -3.345115 4.545464 0.024743 ESP Fit Center 1048 is at -3.547591 4.185947 0.024743 ESP Fit Center 1049 is at -3.702430 3.803490 0.024743 ESP Fit Center 1050 is at -3.807091 3.404372 0.024743 ESP Fit Center 1051 is at -3.859855 2.995148 0.024743 ESP Fit Center 1052 is at 2.518670 3.205540 -0.395552 ESP Fit Center 1053 is at 2.437201 3.615109 -0.395552 ESP Fit Center 1054 is at 2.302971 4.010540 -0.395552 ESP Fit Center 1055 is at 2.118274 4.385068 -0.395552 ESP Fit Center 1056 is at 1.886272 4.732283 -0.395552 ESP Fit Center 1057 is at 1.610934 5.046246 -0.395552 ESP Fit Center 1058 is at 1.296971 5.321584 -0.395552 ESP Fit Center 1059 is at 0.949755 5.553586 -0.395552 ESP Fit Center 1060 is at 0.575228 5.738283 -0.395552 ESP Fit Center 1061 is at 0.179797 5.872514 -0.395552 ESP Fit Center 1062 is at -0.229772 5.953982 -0.395552 ESP Fit Center 1063 is at -0.646471 5.981294 -0.395552 ESP Fit Center 1064 is at -1.063170 5.953982 -0.395552 ESP Fit Center 1065 is at -1.472738 5.872514 -0.395552 ESP Fit Center 1066 is at -1.868170 5.738283 -0.395552 ESP Fit Center 1067 is at -2.242697 5.553586 -0.395552 ESP Fit Center 1068 is at -2.589913 5.321584 -0.395552 ESP Fit Center 1069 is at -2.903876 5.046246 -0.395552 ESP Fit Center 1070 is at -3.179214 4.732283 -0.395552 ESP Fit Center 1071 is at -3.411216 4.385068 -0.395552 ESP Fit Center 1072 is at -3.595912 4.010540 -0.395552 ESP Fit Center 1073 is at -3.730143 3.615109 -0.395552 ESP Fit Center 1074 is at -3.811612 3.205540 -0.395552 ESP Fit Center 1075 is at 2.463810 2.788842 -0.808655 ESP Fit Center 1076 is at 2.436059 3.203401 -0.808655 ESP Fit Center 1077 is at 2.353299 3.610564 -0.808655 ESP Fit Center 1078 is at 2.217009 4.003062 -0.808655 ESP Fit Center 1079 is at 2.029620 4.373893 -0.808655 ESP Fit Center 1080 is at 1.794476 4.716438 -0.808655 ESP Fit Center 1081 is at 1.515773 5.024585 -0.808655 ESP Fit Center 1082 is at 1.198485 5.292836 -0.808655 ESP Fit Center 1083 is at 0.848273 5.516402 -0.808655 ESP Fit Center 1084 is at 0.471388 5.691296 -0.808655 ESP Fit Center 1085 is at 0.074555 5.814395 -0.808655 ESP Fit Center 1086 is at -0.335145 5.883502 -0.808655 ESP Fit Center 1087 is at -0.750401 5.897386 -0.808655 ESP Fit Center 1088 is at -1.163802 5.855797 -0.808655 ESP Fit Center 1089 is at -1.567971 5.759479 -0.808655 ESP Fit Center 1090 is at -1.955696 5.610149 -0.808655 ESP Fit Center 1091 is at -2.320058 5.410474 -0.808655 ESP Fit Center 1092 is at -2.654555 5.164015 -0.808655 ESP Fit Center 1093 is at -2.953218 4.875171 -0.808655 ESP Fit Center 1094 is at -3.210716 4.549096 -0.808655 ESP Fit Center 1095 is at -3.422455 4.191610 -0.808655 ESP Fit Center 1096 is at -3.584657 3.809091 -0.808655 ESP Fit Center 1097 is at -3.694427 3.408366 -0.808655 ESP Fit Center 1098 is at -3.749806 2.996585 -0.808655 ESP Fit Center 1099 is at 2.328421 2.788842 -1.207498 ESP Fit Center 1100 is at 2.299470 3.202867 -1.207498 ESP Fit Center 1101 is at 2.213179 3.608833 -1.207498 ESP Fit Center 1102 is at 2.071228 3.998839 -1.207498 ESP Fit Center 1103 is at 1.876381 4.365294 -1.207498 ESP Fit Center 1104 is at 1.632429 4.701065 -1.207498 ESP Fit Center 1105 is at 1.344120 4.999617 -1.207498 ESP Fit Center 1106 is at 1.017068 5.255139 -1.207498 ESP Fit Center 1107 is at 0.657636 5.462657 -1.207498 ESP Fit Center 1108 is at 0.272821 5.618132 -1.207498 ESP Fit Center 1109 is at -0.129886 5.718538 -1.207498 ESP Fit Center 1110 is at -0.542649 5.761921 -1.207498 ESP Fit Center 1111 is at -0.957432 5.747437 -1.207498 ESP Fit Center 1112 is at -1.366162 5.675367 -1.207498 ESP Fit Center 1113 is at -1.760885 5.547113 -1.207498 ESP Fit Center 1114 is at -2.133917 5.365174 -1.207498 ESP Fit Center 1115 is at -2.477997 5.133089 -1.207498 ESP Fit Center 1116 is at -2.786429 4.855375 -1.207498 ESP Fit Center 1117 is at -3.053209 4.537439 -1.207498 ESP Fit Center 1118 is at -3.273145 4.185469 -1.207498 ESP Fit Center 1119 is at -3.441955 3.806315 -1.207498 ESP Fit Center 1120 is at -3.556355 3.407356 -1.207498 ESP Fit Center 1121 is at -3.614116 2.996360 -1.207498 ESP Fit Center 1122 is at -3.614116 2.581324 -1.207498 ESP Fit Center 1123 is at 2.213179 1.968850 -1.207498 ESP Fit Center 1124 is at 2.299470 2.374817 -1.207498 ESP Fit Center 1125 is at 2.142131 2.788842 -1.585257 ESP Fit Center 1126 is at 2.110984 3.204461 -1.585257 ESP Fit Center 1127 is at 2.018241 3.610796 -1.585257 ESP Fit Center 1128 is at 1.865972 3.998771 -1.585257 ESP Fit Center 1129 is at 1.657580 4.359717 -1.585257 ESP Fit Center 1130 is at 1.397719 4.685572 -1.585257 ESP Fit Center 1131 is at 1.092194 4.969058 -1.585257 ESP Fit Center 1132 is at 0.747830 5.203842 -1.585257 ESP Fit Center 1133 is at 0.372320 5.384678 -1.585257 ESP Fit Center 1134 is at -0.025949 5.507527 -1.585257 ESP Fit Center 1135 is at -0.438078 5.569646 -1.585257 ESP Fit Center 1136 is at -0.854863 5.569646 -1.585257 ESP Fit Center 1137 is at -1.266993 5.507527 -1.585257 ESP Fit Center 1138 is at -1.665262 5.384678 -1.585257 ESP Fit Center 1139 is at -2.040772 5.203842 -1.585257 ESP Fit Center 1140 is at -2.385136 4.969058 -1.585257 ESP Fit Center 1141 is at -2.690661 4.685572 -1.585257 ESP Fit Center 1142 is at -2.950522 4.359717 -1.585257 ESP Fit Center 1143 is at -3.158914 3.998771 -1.585257 ESP Fit Center 1144 is at -3.311183 3.610796 -1.585257 ESP Fit Center 1145 is at -3.403926 3.204461 -1.585257 ESP Fit Center 1146 is at -3.435073 2.788842 -1.585257 ESP Fit Center 1147 is at -3.403926 2.373222 -1.585257 ESP Fit Center 1148 is at 1.865972 1.578913 -1.585257 ESP Fit Center 1149 is at 2.018241 1.966887 -1.585257 ESP Fit Center 1150 is at 2.110984 2.373222 -1.585257 ESP Fit Center 1151 is at 1.908127 2.788842 -1.935469 ESP Fit Center 1152 is at 1.873285 3.209315 -1.935469 ESP Fit Center 1153 is at 1.769712 3.618318 -1.935469 ESP Fit Center 1154 is at 1.600231 4.004696 -1.935469 ESP Fit Center 1155 is at 1.369466 4.357908 -1.935469 ESP Fit Center 1156 is at 1.083711 4.668320 -1.935469 ESP Fit Center 1157 is at 0.750762 4.927465 -1.935469 ESP Fit Center 1158 is at 0.379699 5.128274 -1.935469 ESP Fit Center 1159 is at -0.019354 5.265269 -1.935469 ESP Fit Center 1160 is at -0.435514 5.334714 -1.935469 ESP Fit Center 1161 is at -0.857428 5.334714 -1.935469 ESP Fit Center 1162 is at -1.273588 5.265269 -1.935469 ESP Fit Center 1163 is at -1.672641 5.128274 -1.935469 ESP Fit Center 1164 is at -2.043703 4.927465 -1.935469 ESP Fit Center 1165 is at -2.376653 4.668320 -1.935469 ESP Fit Center 1166 is at -2.662408 4.357908 -1.935469 ESP Fit Center 1167 is at -2.893173 4.004696 -1.935469 ESP Fit Center 1168 is at -3.062654 3.618318 -1.935469 ESP Fit Center 1169 is at -3.166227 3.209315 -1.935469 ESP Fit Center 1170 is at -3.201069 2.788842 -1.935469 ESP Fit Center 1171 is at -3.166227 2.368369 -1.935469 ESP Fit Center 1172 is at -3.062654 1.959365 -1.935469 ESP Fit Center 1173 is at -2.893173 1.572987 -1.935469 ESP Fit Center 1174 is at 1.083711 0.909363 -1.935469 ESP Fit Center 1175 is at 1.369466 1.219775 -1.935469 ESP Fit Center 1176 is at 1.600231 1.572987 -1.935469 ESP Fit Center 1177 is at 1.769712 1.959365 -1.935469 ESP Fit Center 1178 is at 1.873285 2.368369 -1.935469 ESP Fit Center 1179 is at 1.630413 2.788842 -2.252141 ESP Fit Center 1180 is at 1.591645 3.207218 -2.252141 ESP Fit Center 1181 is at 1.476660 3.611347 -2.252141 ESP Fit Center 1182 is at 1.289375 3.987466 -2.252141 ESP Fit Center 1183 is at 1.036167 4.322768 -2.252141 ESP Fit Center 1184 is at 0.725658 4.605834 -2.252141 ESP Fit Center 1185 is at 0.368424 4.827024 -2.252141 ESP Fit Center 1186 is at -0.023372 4.978807 -2.252141 ESP Fit Center 1187 is at -0.436387 5.056013 -2.252141 ESP Fit Center 1188 is at -0.856555 5.056013 -2.252141 ESP Fit Center 1189 is at -1.269570 4.978807 -2.252141 ESP Fit Center 1190 is at -1.661365 4.827024 -2.252141 ESP Fit Center 1191 is at -2.018600 4.605834 -2.252141 ESP Fit Center 1192 is at -2.329108 4.322768 -2.252141 ESP Fit Center 1193 is at -2.582317 3.987466 -2.252141 ESP Fit Center 1194 is at -2.769602 3.611347 -2.252141 ESP Fit Center 1195 is at -2.884587 3.207218 -2.252141 ESP Fit Center 1196 is at -2.923355 2.788842 -2.252141 ESP Fit Center 1197 is at -2.884587 2.370465 -2.252141 ESP Fit Center 1198 is at -2.769602 1.966336 -2.252141 ESP Fit Center 1199 is at -2.582317 1.590217 -2.252141 ESP Fit Center 1200 is at -2.329108 1.254915 -2.252141 ESP Fit Center 1201 is at -2.018600 0.971849 -2.252141 ESP Fit Center 1202 is at -1.661365 0.750659 -2.252141 ESP Fit Center 1203 is at -1.269570 0.598876 -2.252141 ESP Fit Center 1204 is at -0.856555 0.521671 -2.252141 ESP Fit Center 1205 is at -0.436387 0.521671 -2.252141 ESP Fit Center 1206 is at -0.023372 0.598876 -2.252141 ESP Fit Center 1207 is at 0.368424 0.750659 -2.252141 ESP Fit Center 1208 is at 0.725658 0.971849 -2.252141 ESP Fit Center 1209 is at 1.036167 1.254915 -2.252141 ESP Fit Center 1210 is at 1.289375 1.590217 -2.252141 ESP Fit Center 1211 is at 1.476660 1.966336 -2.252141 ESP Fit Center 1212 is at 1.591645 2.370465 -2.252141 ESP Fit Center 1213 is at 1.313741 2.788842 -2.529855 ESP Fit Center 1214 is at 1.267912 3.210229 -2.529855 ESP Fit Center 1215 is at 1.132569 3.611913 -2.529855 ESP Fit Center 1216 is at 0.914040 3.975111 -2.529855 ESP Fit Center 1217 is at 0.622543 4.282841 -2.529855 ESP Fit Center 1218 is at 0.271709 4.520712 -2.529855 ESP Fit Center 1219 is at -0.122059 4.677604 -2.529855 ESP Fit Center 1220 is at -0.540347 4.746179 -2.529855 ESP Fit Center 1221 is at -0.963598 4.723231 -2.529855 ESP Fit Center 1222 is at -1.372020 4.609833 -2.529855 ESP Fit Center 1223 is at -1.746516 4.411287 -2.529855 ESP Fit Center 1224 is at -2.069576 4.136878 -2.529855 ESP Fit Center 1225 is at -2.326092 3.799436 -2.529855 ESP Fit Center 1226 is at -2.504072 3.414740 -2.529855 ESP Fit Center 1227 is at -2.595192 3.000778 -2.529855 ESP Fit Center 1228 is at -2.595192 2.576905 -2.529855 ESP Fit Center 1229 is at -2.504072 2.162943 -2.529855 ESP Fit Center 1230 is at -2.326092 1.778247 -2.529855 ESP Fit Center 1231 is at -2.069576 1.440805 -2.529855 ESP Fit Center 1232 is at -1.746516 1.166396 -2.529855 ESP Fit Center 1233 is at -1.372020 0.967850 -2.529855 ESP Fit Center 1234 is at -0.963598 0.854453 -2.529855 ESP Fit Center 1235 is at -0.540347 0.831505 -2.529855 ESP Fit Center 1236 is at -0.122059 0.900080 -2.529855 ESP Fit Center 1237 is at 0.271709 1.056971 -2.529855 ESP Fit Center 1238 is at 0.622543 1.294843 -2.529855 ESP Fit Center 1239 is at 0.914040 1.602572 -2.529855 ESP Fit Center 1240 is at 1.132569 1.965770 -2.529855 ESP Fit Center 1241 is at 1.267912 2.367454 -2.529855 ESP Fit Center 1242 is at 0.963529 2.788842 -2.763859 ESP Fit Center 1243 is at 0.908670 3.205540 -2.763859 ESP Fit Center 1244 is at 0.747830 3.593842 -2.763859 ESP Fit Center 1245 is at 0.491971 3.927283 -2.763859 ESP Fit Center 1246 is at 0.158529 4.183142 -2.763859 ESP Fit Center 1247 is at -0.229772 4.343982 -2.763859 ESP Fit Center 1248 is at -0.646471 4.398842 -2.763859 ESP Fit Center 1249 is at -1.063170 4.343982 -2.763859 ESP Fit Center 1250 is at -1.451471 4.183142 -2.763859 ESP Fit Center 1251 is at -1.784913 3.927283 -2.763859 ESP Fit Center 1252 is at 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4.002362 -2.950150 ESP Fit Center 1271 is at -0.860447 4.002362 -2.950150 ESP Fit Center 1272 is at -1.262591 3.855993 -2.950150 ESP Fit Center 1273 is at -1.590422 3.580911 -2.950150 ESP Fit Center 1274 is at -1.804398 3.210293 -2.950150 ESP Fit Center 1275 is at -1.878712 2.788842 -2.950150 ESP Fit Center 1276 is at -1.804398 2.367390 -2.950150 ESP Fit Center 1277 is at -1.590422 1.996773 -2.950150 ESP Fit Center 1278 is at -1.262591 1.721690 -2.950150 ESP Fit Center 1279 is at -0.860447 1.575321 -2.950150 ESP Fit Center 1280 is at -0.432495 1.575321 -2.950150 ESP Fit Center 1281 is at -0.030351 1.721690 -2.950150 ESP Fit Center 1282 is at 0.297480 1.996773 -2.950150 ESP Fit Center 1283 is at 0.511457 2.367390 -2.950150 ESP Fit Center 1284 is at 0.186926 2.788842 -3.085539 ESP Fit Center 1285 is at 0.075272 3.205540 -3.085539 ESP Fit Center 1286 is at -0.229772 3.510585 -3.085539 ESP Fit Center 1287 is at -0.646471 3.622239 -3.085539 ESP Fit Center 1288 is at -1.063170 3.510585 -3.085539 ESP Fit Center 1289 is at -1.368214 3.205540 -3.085539 ESP Fit Center 1290 is at -1.479868 2.788842 -3.085539 ESP Fit Center 1291 is at -1.368214 2.372143 -3.085539 ESP Fit Center 1292 is at -1.063170 2.067098 -3.085539 ESP Fit Center 1293 is at -0.646471 1.955444 -3.085539 ESP Fit Center 1294 is at -0.229772 2.067098 -3.085539 ESP Fit Center 1295 is at 0.075272 2.372143 -3.085539 ESP Fit Center 1296 is at -0.226177 2.788842 -3.167710 ESP Fit Center 1297 is at -0.436324 3.152827 -3.167710 ESP Fit Center 1298 is at -0.856618 3.152827 -3.167710 ESP Fit Center 1299 is at -1.066765 2.788842 -3.167710 ESP Fit Center 1300 is at -0.856618 2.424856 -3.167710 ESP Fit Center 1301 is at -0.436324 2.424856 -3.167710 ESP Fit Center 1302 is at -0.646471 2.788842 -3.195257 ESP Fit Center 1303 is at -4.777258 -0.149064 3.463274 ESP Fit Center 1304 is at -4.342442 -0.149064 3.406029 ESP Fit Center 1305 is at -4.559850 0.227497 3.406029 ESP Fit Center 1306 is at -4.994666 0.227497 3.406029 ESP Fit Center 1307 is at -5.212074 -0.149064 3.406029 ESP Fit Center 1308 is at -4.994666 -0.525626 3.406029 ESP Fit Center 1309 is at -4.559850 -0.525626 3.406029 ESP Fit Center 1310 is at -3.937258 -0.149064 3.238196 ESP Fit Center 1311 is at -4.049796 0.270936 3.238196 ESP Fit Center 1312 is at -4.357258 0.578397 3.238196 ESP Fit Center 1313 is at -4.777258 0.690936 3.238196 ESP Fit Center 1314 is at -5.197258 0.578397 3.238196 ESP Fit Center 1315 is at -5.504719 0.270936 3.238196 ESP Fit Center 1316 is at -5.617258 -0.149064 3.238196 ESP Fit Center 1317 is at -4.049796 -0.569064 3.238196 ESP Fit Center 1318 is at -3.589318 -0.149064 2.971213 ESP Fit Center 1319 is at -3.669537 0.280069 2.971213 ESP Fit Center 1320 is at -3.899360 0.651245 2.971213 ESP Fit Center 1321 is at -4.247748 0.914335 2.971213 ESP Fit Center 1322 is at -4.667649 1.033807 2.971213 ESP Fit Center 1323 is at -5.102353 0.993526 2.971213 ESP Fit Center 1324 is at -5.493151 0.798932 2.971213 ESP Fit Center 1325 is at -5.787264 0.476305 2.971213 ESP Fit Center 1326 is at -5.944970 0.069219 2.971213 ESP Fit Center 1327 is at -3.669537 -0.578198 2.971213 ESP Fit Center 1328 is at -3.322335 -0.149064 2.623274 ESP Fit Center 1329 is at -3.386973 0.279782 2.623274 ESP Fit Center 1330 is at -3.575144 0.670523 2.623274 ESP Fit Center 1331 is at -3.870128 0.988440 2.623274 ESP Fit Center 1332 is at -4.245715 1.205285 2.623274 ESP Fit Center 1333 is at -4.668531 1.301790 2.623274 ESP Fit Center 1334 is at -5.101009 1.269380 2.623274 ESP Fit Center 1335 is at -5.504719 1.110936 2.623274 ESP Fit Center 1336 is at -5.843792 0.840534 2.623274 ESP Fit Center 1337 is at -6.088098 0.482203 2.623274 ESP Fit Center 1338 is at -6.215930 0.067781 2.623274 ESP Fit Center 1339 is at -3.386973 -0.577910 2.623274 ESP Fit Center 1340 is at -3.154502 -0.149064 2.218090 ESP Fit Center 1341 is at -3.209796 0.270936 2.218090 ESP Fit Center 1342 is at -3.371910 0.662313 2.218090 ESP Fit Center 1343 is at -3.629796 0.998397 2.218090 ESP Fit Center 1344 is at -3.965880 1.256283 2.218090 ESP Fit Center 1345 is at -4.357258 1.418397 2.218090 ESP Fit Center 1346 is at -4.777258 1.473691 2.218090 ESP Fit Center 1347 is at -5.197258 1.418397 2.218090 ESP Fit Center 1348 is at -5.588635 1.256283 2.218090 ESP Fit Center 1349 is at -5.924719 0.998397 2.218090 ESP Fit Center 1350 is at -6.182605 0.662313 2.218090 ESP Fit Center 1351 is at -6.344719 0.270936 2.218090 ESP Fit Center 1352 is at -3.552590 1.000975 1.783274 ESP Fit Center 1353 is at -3.877069 1.269406 1.783274 ESP Fit Center 1354 is at -4.258109 1.448710 1.783274 ESP Fit Center 1355 is at -4.671770 1.527620 1.783274 ESP Fit Center 1356 is at -5.092058 1.501178 1.783274 ESP Fit Center 1357 is at -5.492567 1.371045 1.783274 ESP Fit Center 1358 is at -5.848130 1.145398 1.783274 ESP Fit Center 1359 is at -6.136406 0.838415 1.783274 ESP Fit Center 1360 is at -6.339282 0.469385 1.783274 ESP Fit Center 1361 is at -4.357258 1.418397 1.348458 ESP Fit Center 1362 is at -4.777258 1.473691 1.348458 ESP Fit Center 1363 is at -5.197258 1.418397 1.348458 ESP Fit Center 1364 is at -5.588635 1.256283 1.348458 ESP Fit Center 1365 is at -5.924719 0.998397 1.348458 ESP Fit Center 1366 is at -6.182605 0.662313 1.348458 ESP Fit Center 1367 is at -4.668531 1.301790 0.943274 ESP Fit Center 1368 is at -5.101009 1.269380 0.943274 ESP Fit Center 1369 is at -5.504719 1.110936 0.943274 ESP Fit Center 1370 is at -5.843792 0.840534 0.943274 ESP Fit Center 1371 is at -6.515912 0.498947 0.617545 ESP Fit Center 1372 is at -6.823373 0.191485 0.617545 ESP Fit Center 1373 is at -6.421007 0.914076 0.350562 ESP Fit Center 1374 is at -6.811805 0.719481 0.350562 ESP Fit Center 1375 is at -7.105918 0.396855 0.350562 ESP Fit Center 1376 is at -7.263624 -0.010231 0.350562 ESP Fit Center 1377 is at -7.263624 -0.446798 0.350562 ESP Fit Center 1378 is at -6.419662 1.189930 0.002622 ESP Fit Center 1379 is at -6.823373 1.031485 0.002622 ESP Fit Center 1380 is at -7.162445 0.761084 0.002622 ESP Fit Center 1381 is at -7.406752 0.402753 0.002622 ESP Fit Center 1382 is at -7.534584 -0.011670 0.002622 ESP Fit Center 1383 is at -7.534584 -0.445360 0.002622 ESP Fit Center 1384 is at -7.406752 -0.859782 0.002622 ESP Fit Center 1385 is at -7.162445 -1.218113 0.002622 ESP Fit Center 1386 is at -6.515912 1.338947 -0.402562 ESP Fit Center 1387 is at -6.907289 1.176833 -0.402562 ESP Fit Center 1388 is at -7.243373 0.918947 -0.402562 ESP Fit Center 1389 is at -7.501259 0.582863 -0.402562 ESP Fit Center 1390 is at -7.663373 0.191485 -0.402562 ESP Fit Center 1391 is at -7.718667 -0.228515 -0.402562 ESP Fit Center 1392 is at -7.663373 -0.648515 -0.402562 ESP Fit Center 1393 is at -7.501259 -1.039892 -0.402562 ESP Fit Center 1394 is at -7.243373 -1.375976 -0.402562 ESP Fit Center 1395 is at -6.907289 -1.633862 -0.402562 ESP Fit Center 1396 is at -6.515912 -1.795976 -0.402562 ESP Fit Center 1397 is at -6.811221 1.291595 -0.837378 ESP Fit Center 1398 is at -7.166784 1.065948 -0.837378 ESP Fit Center 1399 is at -7.455060 0.758965 -0.837378 ESP Fit Center 1400 is at -7.657936 0.389935 -0.837378 ESP Fit Center 1401 is at -7.762664 -0.017955 -0.837378 ESP Fit Center 1402 is at -7.762664 -0.439074 -0.837378 ESP Fit Center 1403 is at -7.657936 -0.846964 -0.837378 ESP Fit Center 1404 is at -7.455060 -1.215994 -0.837378 ESP Fit Center 1405 is at -7.166784 -1.522977 -0.837378 ESP Fit Center 1406 is at -6.811221 -1.748624 -0.837378 ESP Fit Center 1407 is at -6.410712 -1.878757 -0.837378 ESP Fit Center 1408 is at -6.515912 1.338947 -1.272194 ESP Fit Center 1409 is at -6.907289 1.176833 -1.272194 ESP Fit Center 1410 is at -7.243373 0.918947 -1.272194 ESP Fit Center 1411 is at -7.501259 0.582863 -1.272194 ESP Fit Center 1412 is at -7.663373 0.191485 -1.272194 ESP Fit Center 1413 is at -7.718667 -0.228515 -1.272194 ESP Fit Center 1414 is at -7.663373 -0.648515 -1.272194 ESP Fit Center 1415 is at -7.501259 -1.039892 -1.272194 ESP Fit Center 1416 is at -7.243373 -1.375976 -1.272194 ESP Fit Center 1417 is at -6.907289 -1.633862 -1.272194 ESP Fit Center 1418 is at -6.515912 -1.795976 -1.272194 ESP Fit Center 1419 is at -6.823373 1.031485 -1.677378 ESP Fit Center 1420 is at -7.162445 0.761084 -1.677378 ESP Fit Center 1421 is at -7.406752 0.402753 -1.677378 ESP Fit Center 1422 is at -7.534584 -0.011670 -1.677378 ESP Fit Center 1423 is at -7.534584 -0.445360 -1.677378 ESP Fit Center 1424 is at -7.406752 -0.859782 -1.677378 ESP Fit Center 1425 is at -7.162445 -1.218113 -1.677378 ESP Fit Center 1426 is at -6.823373 -1.488515 -1.677378 ESP Fit Center 1427 is at -6.419662 -1.646959 -1.677378 ESP Fit Center 1428 is at -5.987185 -1.679369 -1.677378 ESP Fit Center 1429 is at -6.421007 0.914076 -2.025317 ESP Fit Center 1430 is at -6.811805 0.719481 -2.025317 ESP Fit Center 1431 is at -7.105918 0.396855 -2.025317 ESP Fit Center 1432 is at -7.263624 -0.010231 -2.025317 ESP Fit Center 1433 is at -7.263624 -0.446798 -2.025317 ESP Fit Center 1434 is at -7.105918 -0.853884 -2.025317 ESP Fit Center 1435 is at -6.811805 -1.176511 -2.025317 ESP Fit Center 1436 is at -6.421007 -1.371105 -2.025317 ESP Fit Center 1437 is at -5.986302 -1.411386 -2.025317 ESP Fit Center 1438 is at -6.515912 0.498947 -2.292300 ESP Fit Center 1439 is at -6.823373 0.191485 -2.292300 ESP Fit Center 1440 is at -6.935912 -0.228515 -2.292300 ESP Fit Center 1441 is at -6.823373 -0.648515 -2.292300 ESP Fit Center 1442 is at -6.515912 -0.955976 -2.292300 ESP Fit Center 1443 is at -6.095912 -1.068515 -2.292300 ESP Fit Center 1444 is at -6.313320 0.148047 -2.460133 ESP Fit Center 1445 is at -6.530728 -0.228515 -2.460133 ESP Fit Center 1446 is at -6.313320 -0.605076 -2.460133 ESP Fit Center 1447 is at 1.614437 -2.145021 1.885882 ESP Fit Center 1448 is at 2.021944 -2.145021 1.843051 ESP Fit Center 1449 is at 1.410683 -1.792109 1.843051 ESP Fit Center 1450 is at 1.206930 -2.145021 1.843051 ESP Fit Center 1451 is at 1.410683 -2.497932 1.843051 ESP Fit Center 1452 is at 1.818190 -2.497932 1.843051 ESP Fit Center 1453 is at 2.411641 -2.145021 1.716431 ESP Fit Center 1454 is at 0.924038 -1.746419 1.716431 ESP Fit Center 1455 is at 0.817233 -2.145021 1.716431 ESP Fit Center 1456 is at 0.924038 -2.543622 1.716431 ESP Fit Center 1457 is at 1.215835 -2.835419 1.716431 ESP Fit Center 1458 is at 1.614437 -2.942224 1.716431 ESP Fit Center 1459 is at 2.013039 -2.835419 1.716431 ESP Fit Center 1460 is at 2.304836 -2.543622 1.716431 ESP Fit Center 1461 is at 2.766496 -2.145021 1.511555 ESP Fit Center 1462 is at 0.634937 -1.538540 1.511555 ESP Fit Center 1463 is at 0.481994 -2.356711 1.511555 ESP Fit Center 1464 is at 0.634937 -2.751501 1.511555 ESP Fit Center 1465 is at 0.920166 -3.064384 1.511555 ESP Fit Center 1466 is at 1.299161 -3.253101 1.511555 ESP Fit Center 1467 is at 1.720735 -3.292165 1.511555 ESP Fit Center 1468 is at 2.127954 -3.176302 1.511555 ESP Fit Center 1469 is at 2.465819 -2.921158 1.511555 ESP Fit Center 1470 is at 2.688700 -2.561192 1.511555 ESP Fit Center 1471 is at 0.389097 -2.932498 1.237378 ESP Fit Center 1472 is at 0.660590 -3.245818 1.237378 ESP Fit Center 1473 is at 1.009358 -3.469958 1.237378 ESP Fit Center 1474 is at 1.407146 -3.586759 1.237378 ESP Fit Center 1475 is at 1.821728 -3.586759 1.237378 ESP Fit Center 1476 is at 2.219515 -3.469958 1.237378 ESP Fit Center 1477 is at 2.568283 -3.245818 1.237378 ESP Fit Center 1478 is at 2.839776 -2.932498 1.237378 ESP Fit Center 1479 is at 0.241204 -3.142733 0.905882 ESP Fit Center 1480 is at 0.532467 -3.452897 0.905882 ESP Fit Center 1481 is at 0.891715 -3.680883 0.905882 ESP Fit Center 1482 is at 1.296374 -3.812365 0.905882 ESP Fit Center 1483 is at 1.721018 -3.839081 0.905882 ESP Fit Center 1484 is at 2.138965 -3.759353 0.905882 ESP Fit Center 1485 is at 2.523955 -3.578191 0.905882 ESP Fit Center 1486 is at 0.157048 -3.307250 0.531555 ESP Fit Center 1487 is at 0.452208 -3.602410 0.531555 ESP Fit Center 1488 is at 0.805647 -3.824490 0.531555 ESP Fit Center 1489 is at 1.199642 -3.962355 0.531555 ESP Fit Center 1490 is at 1.614437 -4.009091 0.531555 ESP Fit Center 1491 is at 2.029232 -3.962355 0.531555 ESP Fit Center 1492 is at 2.423227 -3.824490 0.531555 ESP Fit Center 1493 is at 0.199281 -3.485528 0.130757 ESP Fit Center 1494 is at 0.520536 -3.758404 0.130757 ESP Fit Center 1495 is at 0.892940 -3.955840 0.130757 ESP Fit Center 1496 is at 1.299081 -4.068605 0.130757 ESP Fit Center 1497 is at 1.719968 -4.091425 0.130757 ESP Fit Center 1498 is at 2.135920 -4.023233 0.130757 ESP Fit Center 1499 is at 2.527488 -3.867218 0.130757 ESP Fit Center 1500 is at 0.199281 -3.485528 -0.278994 ESP Fit Center 1501 is at 0.520536 -3.758404 -0.278994 ESP Fit Center 1502 is at 0.892940 -3.955840 -0.278994 ESP Fit Center 1503 is at 1.299081 -4.068605 -0.278994 ESP Fit Center 1504 is at 1.719968 -4.091425 -0.278994 ESP Fit Center 1505 is at 2.135920 -4.023233 -0.278994 ESP Fit Center 1506 is at 2.527488 -3.867218 -0.278994 ESP Fit Center 1507 is at 0.157048 -3.307250 -0.679792 ESP Fit Center 1508 is at 0.452208 -3.602410 -0.679792 ESP Fit Center 1509 is at 0.805647 -3.824490 -0.679792 ESP Fit Center 1510 is at 1.199642 -3.962355 -0.679792 ESP Fit Center 1511 is at 1.614437 -4.009091 -0.679792 ESP Fit Center 1512 is at 2.029232 -3.962355 -0.679792 ESP Fit Center 1513 is at 2.423227 -3.824490 -0.679792 ESP Fit Center 1514 is at 0.241204 -3.142733 -1.054118 ESP Fit Center 1515 is at 0.532467 -3.452897 -1.054118 ESP Fit Center 1516 is at 0.891715 -3.680883 -1.054118 ESP Fit Center 1517 is at 1.296374 -3.812365 -1.054118 ESP Fit Center 1518 is at 1.721018 -3.839081 -1.054118 ESP Fit Center 1519 is at 2.138965 -3.759353 -1.054118 ESP Fit Center 1520 is at 2.523955 -3.578191 -1.054118 ESP Fit Center 1521 is at 0.389097 -2.932498 -1.385614 ESP Fit Center 1522 is at 0.660590 -3.245818 -1.385614 ESP Fit Center 1523 is at 1.009358 -3.469958 -1.385614 ESP Fit Center 1524 is at 1.407146 -3.586759 -1.385614 ESP Fit Center 1525 is at 1.821728 -3.586759 -1.385614 ESP Fit Center 1526 is at 2.219515 -3.469958 -1.385614 ESP Fit Center 1527 is at 2.568283 -3.245818 -1.385614 ESP Fit Center 1528 is at 2.839776 -2.932498 -1.385614 ESP Fit Center 1529 is at 2.766496 -2.145021 -1.659792 ESP Fit Center 1530 is at 0.481994 -2.356711 -1.659792 ESP Fit Center 1531 is at 0.634937 -2.751501 -1.659792 ESP Fit Center 1532 is at 0.920166 -3.064384 -1.659792 ESP Fit Center 1533 is at 1.299161 -3.253101 -1.659792 ESP Fit Center 1534 is at 1.720735 -3.292165 -1.659792 ESP Fit Center 1535 is at 2.127954 -3.176302 -1.659792 ESP Fit Center 1536 is at 2.465819 -2.921158 -1.659792 ESP Fit Center 1537 is at 2.688700 -2.561192 -1.659792 ESP Fit Center 1538 is at 2.411641 -2.145021 -1.864667 ESP Fit Center 1539 is at 0.924038 -1.746419 -1.864667 ESP Fit Center 1540 is at 0.817233 -2.145021 -1.864667 ESP Fit Center 1541 is at 0.924038 -2.543622 -1.864667 ESP Fit Center 1542 is at 1.215835 -2.835419 -1.864667 ESP Fit Center 1543 is at 1.614437 -2.942224 -1.864667 ESP Fit Center 1544 is at 2.013039 -2.835419 -1.864667 ESP Fit Center 1545 is at 2.304836 -2.543622 -1.864667 ESP Fit Center 1546 is at 2.021944 -2.145021 -1.991288 ESP Fit Center 1547 is at 1.818190 -1.792109 -1.991288 ESP Fit Center 1548 is at 1.410683 -1.792109 -1.991288 ESP Fit Center 1549 is at 1.206930 -2.145021 -1.991288 ESP Fit Center 1550 is at 1.410683 -2.497932 -1.991288 ESP Fit Center 1551 is at 1.818190 -2.497932 -1.991288 ESP Fit Center 1552 is at 1.614437 -2.145021 -2.034118 ESP Fit Center 1553 is at 3.420951 -0.667942 2.100508 ESP Fit Center 1554 is at 3.830640 -0.667942 2.060157 ESP Fit Center 1555 is at 3.625796 -0.313141 2.060157 ESP Fit Center 1556 is at 3.216106 -0.313141 2.060157 ESP Fit Center 1557 is at 3.011261 -0.667942 2.060157 ESP Fit Center 1558 is at 3.216106 -1.022744 2.060157 ESP Fit Center 1559 is at 3.625796 -1.022744 2.060157 ESP Fit Center 1560 is at 4.224586 -0.667942 1.940655 ESP Fit Center 1561 is at 4.116919 -0.266125 1.940655 ESP Fit Center 1562 is at 3.019133 0.028026 1.940655 ESP Fit Center 1563 is at 2.724982 -0.266125 1.940655 ESP Fit Center 1564 is at 2.724982 -1.069760 1.940655 ESP Fit Center 1565 is at 3.019133 -1.363911 1.940655 ESP Fit Center 1566 is at 3.420951 -1.471577 1.940655 ESP Fit Center 1567 is at 2.717858 0.263102 1.746594 ESP Fit Center 1568 is at 3.101669 -1.790102 1.746594 ESP Fit Center 1569 is at 4.508864 -0.246482 -1.745578 ESP Fit Center 1570 is at 2.717858 0.263102 -1.745578 ESP Fit Center 1571 is at 3.101669 -1.790102 -1.745578 ESP Fit Center 1572 is at 4.224586 -0.667942 -1.939639 ESP Fit Center 1573 is at 4.116919 -0.266125 -1.939639 ESP Fit Center 1574 is at 3.822768 0.028026 -1.939639 ESP Fit Center 1575 is at 3.420951 0.135693 -1.939639 ESP Fit Center 1576 is at 3.019133 0.028026 -1.939639 ESP Fit Center 1577 is at 2.724982 -0.266125 -1.939639 ESP Fit Center 1578 is at 3.019133 -1.363911 -1.939639 ESP Fit Center 1579 is at 3.420951 -1.471577 -1.939639 ESP Fit Center 1580 is at 3.830640 -0.667942 -2.059141 ESP Fit Center 1581 is at 3.625796 -0.313141 -2.059141 ESP Fit Center 1582 is at 3.216106 -0.313141 -2.059141 ESP Fit Center 1583 is at 3.011261 -0.667942 -2.059141 ESP Fit Center 1584 is at 3.216106 -1.022744 -2.059141 ESP Fit Center 1585 is at 3.625796 -1.022744 -2.059141 ESP Fit Center 1586 is at 3.420951 -0.667942 -2.099492 ESP Fit Center 1587 is at 4.289054 -1.678951 2.090886 ESP Fit Center 1588 is at 4.698744 -1.678951 2.050535 ESP Fit Center 1589 is at 4.493899 -1.324149 2.050535 ESP Fit Center 1590 is at 4.084210 -1.324149 2.050535 ESP Fit Center 1591 is at 3.879365 -1.678951 2.050535 ESP Fit Center 1592 is at 4.084210 -2.033753 2.050535 ESP Fit Center 1593 is at 4.493899 -2.033753 2.050535 ESP Fit Center 1594 is at 4.690872 -0.982982 1.931033 ESP Fit Center 1595 is at 4.289054 -0.875316 1.931033 ESP Fit Center 1596 is at 3.485419 -1.678951 1.931033 ESP Fit Center 1597 is at 3.593086 -2.080769 1.931033 ESP Fit Center 1598 is at 3.887237 -2.374919 1.931033 ESP Fit Center 1599 is at 4.289054 -2.482586 1.931033 ESP Fit Center 1600 is at 4.690872 -2.374919 1.931033 ESP Fit Center 1601 is at 4.985023 -2.080769 1.931033 ESP Fit Center 1602 is at 3.142222 -1.893331 1.736972 ESP Fit Center 1603 is at 3.297108 -2.293138 1.736972 ESP Fit Center 1604 is at 3.585962 -2.609996 1.736972 ESP Fit Center 1605 is at 3.969772 -2.801110 1.736972 ESP Fit Center 1606 is at 4.396704 -2.840671 1.736972 ESP Fit Center 1607 is at 4.809096 -2.723336 1.736972 ESP Fit Center 1608 is at 3.039857 -2.481762 1.475810 ESP Fit Center 1609 is at 4.500381 -3.148761 1.475810 ESP Fit Center 1610 is at 4.905914 -3.029686 1.475810 ESP Fit Center 1611 is at 5.280944 -3.115952 -1.175811 ESP Fit Center 1612 is at 3.039857 -2.481762 -1.494038 ESP Fit Center 1613 is at 4.905914 -3.029686 -1.494038 ESP Fit Center 1614 is at 5.261473 -2.801182 -1.494038 ESP Fit Center 1615 is at 4.809096 -0.634566 -1.755200 ESP Fit Center 1616 is at 3.142222 -1.893331 -1.755200 ESP Fit Center 1617 is at 3.297108 -2.293138 -1.755200 ESP Fit Center 1618 is at 3.585962 -2.609996 -1.755200 ESP Fit Center 1619 is at 3.969772 -2.801110 -1.755200 ESP Fit Center 1620 is at 4.396704 -2.840671 -1.755200 ESP Fit Center 1621 is at 4.809096 -2.723336 -1.755200 ESP Fit Center 1622 is at 5.151254 -2.464950 -1.755200 ESP Fit Center 1623 is at 4.985023 -1.277133 -1.949261 ESP Fit Center 1624 is at 4.690872 -0.982982 -1.949261 ESP Fit Center 1625 is at 4.289054 -0.875316 -1.949261 ESP Fit Center 1626 is at 3.485419 -1.678951 -1.949261 ESP Fit Center 1627 is at 3.593086 -2.080769 -1.949261 ESP Fit Center 1628 is at 3.887237 -2.374919 -1.949261 ESP Fit Center 1629 is at 4.289054 -2.482586 -1.949261 ESP Fit Center 1630 is at 4.690872 -2.374919 -1.949261 ESP Fit Center 1631 is at 4.985023 -2.080769 -1.949261 ESP Fit Center 1632 is at 4.698744 -1.678951 -2.068763 ESP Fit Center 1633 is at 4.493899 -1.324149 -2.068763 ESP Fit Center 1634 is at 4.084210 -1.324149 -2.068763 ESP Fit Center 1635 is at 3.879365 -1.678951 -2.068763 ESP Fit Center 1636 is at 4.084210 -2.033753 -2.068763 ESP Fit Center 1637 is at 4.493899 -2.033753 -2.068763 ESP Fit Center 1638 is at 4.289054 -1.678951 -2.109114 ESP Fit Center 1639 is at 5.727847 -1.416211 2.126692 ESP Fit Center 1640 is at 6.137536 -1.416211 2.086341 ESP Fit Center 1641 is at 5.932692 -1.061409 2.086341 ESP Fit Center 1642 is at 5.523002 -1.061409 2.086341 ESP Fit Center 1643 is at 5.318157 -1.416211 2.086341 ESP Fit Center 1644 is at 5.523002 -1.771013 2.086341 ESP Fit Center 1645 is at 5.932692 -1.771013 2.086341 ESP Fit Center 1646 is at 6.531482 -1.416211 1.966839 ESP Fit Center 1647 is at 5.326029 -0.720243 1.966839 ESP Fit Center 1648 is at 5.031878 -1.014393 1.966839 ESP Fit Center 1649 is at 5.031878 -1.818029 1.966839 ESP Fit Center 1650 is at 5.326029 -2.112180 1.966839 ESP Fit Center 1651 is at 5.727847 -2.219846 1.966839 ESP Fit Center 1652 is at 6.129664 -2.112180 1.966839 ESP Fit Center 1653 is at 6.423815 -1.818029 1.966839 ESP Fit Center 1654 is at 6.894544 -1.416211 1.772778 ESP Fit Center 1655 is at 5.408565 -2.538371 1.772778 ESP Fit Center 1656 is at 5.835496 -2.577932 1.772778 ESP Fit Center 1657 is at 6.247889 -2.460596 1.772778 ESP Fit Center 1658 is at 6.590047 -2.202210 1.772778 ESP Fit Center 1659 is at 6.815760 -1.837671 1.772778 ESP Fit Center 1660 is at 7.212771 -1.416211 1.511616 ESP Fit Center 1661 is at 5.516520 -2.886021 1.511616 ESP Fit Center 1662 is at 5.939174 -2.886021 1.511616 ESP Fit Center 1663 is at 7.152621 -1.834563 1.511616 ESP Fit Center 1664 is at 7.473933 -1.416211 1.193390 ESP Fit Center 1665 is at 5.517379 -3.149566 1.193390 ESP Fit Center 1666 is at 5.413966 -3.330800 0.830327 ESP Fit Center 1667 is at 7.667994 -1.416211 -0.776943 ESP Fit Center 1668 is at 5.413966 -3.330800 -0.776943 ESP Fit Center 1669 is at 7.473933 -1.416211 -1.140005 ESP Fit Center 1670 is at 5.517379 -3.149566 -1.140005 ESP Fit Center 1671 is at 7.212771 -1.416211 -1.458232 ESP Fit Center 1672 is at 5.516520 -2.886021 -1.458232 ESP Fit Center 1673 is at 5.939174 -2.886021 -1.458232 ESP Fit Center 1674 is at 7.152621 -1.834563 -1.458232 ESP Fit Center 1675 is at 6.894544 -1.416211 -1.719394 ESP Fit Center 1676 is at 5.024754 -0.485166 -1.719394 ESP Fit Center 1677 is at 5.408565 -2.538371 -1.719394 ESP Fit Center 1678 is at 5.835496 -2.577932 -1.719394 ESP Fit Center 1679 is at 6.247889 -2.460596 -1.719394 ESP Fit Center 1680 is at 6.590047 -2.202210 -1.719394 ESP Fit Center 1681 is at 6.815760 -1.837671 -1.719394 ESP Fit Center 1682 is at 6.531482 -1.416211 -1.913455 ESP Fit Center 1683 is at 6.423815 -1.014393 -1.913455 ESP Fit Center 1684 is at 5.326029 -0.720243 -1.913455 ESP Fit Center 1685 is at 5.031878 -1.014393 -1.913455 ESP Fit Center 1686 is at 5.326029 -2.112180 -1.913455 ESP Fit Center 1687 is at 5.727847 -2.219846 -1.913455 ESP Fit Center 1688 is at 6.129664 -2.112180 -1.913455 ESP Fit Center 1689 is at 6.423815 -1.818029 -1.913455 ESP Fit Center 1690 is at 6.137536 -1.416211 -2.032957 ESP Fit Center 1691 is at 5.932692 -1.061409 -2.032957 ESP Fit Center 1692 is at 5.523002 -1.061409 -2.032957 ESP Fit Center 1693 is at 5.318157 -1.416211 -2.032957 ESP Fit Center 1694 is at 5.523002 -1.771013 -2.032957 ESP Fit Center 1695 is at 5.932692 -1.771013 -2.032957 ESP Fit Center 1696 is at 5.727847 -1.416211 -2.073308 ESP Fit Center 1697 is at 6.176680 -0.163649 2.167181 ESP Fit Center 1698 is at 6.586370 -0.163649 2.126830 ESP Fit Center 1699 is at 6.381525 0.191153 2.126830 ESP Fit Center 1700 is at 5.971835 0.191153 2.126830 ESP Fit Center 1701 is at 5.766991 -0.163649 2.126830 ESP Fit Center 1702 is at 5.971835 -0.518450 2.126830 ESP Fit Center 1703 is at 6.381525 -0.518450 2.126830 ESP Fit Center 1704 is at 6.980315 -0.163649 2.007328 ESP Fit Center 1705 is at 6.872649 0.238169 2.007328 ESP Fit Center 1706 is at 6.578498 0.532320 2.007328 ESP Fit Center 1707 is at 6.176680 0.639986 2.007328 ESP Fit Center 1708 is at 5.373045 -0.163649 2.007328 ESP Fit Center 1709 is at 5.480712 -0.565466 2.007328 ESP Fit Center 1710 is at 6.578498 -0.859617 2.007328 ESP Fit Center 1711 is at 6.872649 -0.565466 2.007328 ESP Fit Center 1712 is at 7.343378 -0.163649 1.813267 ESP Fit Center 1713 is at 7.264593 0.257811 1.813267 ESP Fit Center 1714 is at 7.038880 0.622350 1.813267 ESP Fit Center 1715 is at 6.696722 0.880736 1.813267 ESP Fit Center 1716 is at 5.029848 -0.378029 1.813267 ESP Fit Center 1717 is at 7.038880 -0.949648 1.813267 ESP Fit Center 1718 is at 7.264593 -0.585109 1.813267 ESP Fit Center 1719 is at 7.149099 0.958582 1.552105 ESP Fit Center 1720 is at 6.793540 1.187086 1.552105 ESP Fit Center 1721 is at 7.425878 -0.966459 1.552105 ESP Fit Center 1722 is at 7.168570 1.273352 1.233878 ESP Fit Center 1723 is at 7.483645 -1.321518 1.233878 ESP Fit Center 1724 is at 7.085462 1.550494 0.870816 ESP Fit Center 1725 is at 7.085462 1.550494 -0.736454 ESP Fit Center 1726 is at 7.168570 1.273352 -1.099517 ESP Fit Center 1727 is at 7.149099 0.958582 -1.417743 ESP Fit Center 1728 is at 6.793540 1.187086 -1.417743 ESP Fit Center 1729 is at 7.425878 -0.966459 -1.417743 ESP Fit Center 1730 is at 7.343378 -0.163649 -1.678905 ESP Fit Center 1731 is at 7.264593 0.257811 -1.678905 ESP Fit Center 1732 is at 7.038880 0.622350 -1.678905 ESP Fit Center 1733 is at 6.696722 0.880736 -1.678905 ESP Fit Center 1734 is at 5.029848 -0.378029 -1.678905 ESP Fit Center 1735 is at 7.038880 -0.949648 -1.678905 ESP Fit Center 1736 is at 7.264593 -0.585109 -1.678905 ESP Fit Center 1737 is at 6.980315 -0.163649 -1.872966 ESP Fit Center 1738 is at 6.872649 0.238169 -1.872966 ESP Fit Center 1739 is at 6.578498 0.532320 -1.872966 ESP Fit Center 1740 is at 6.176680 0.639986 -1.872966 ESP Fit Center 1741 is at 5.373045 -0.163649 -1.872966 ESP Fit Center 1742 is at 6.578498 -0.859617 -1.872966 ESP Fit Center 1743 is at 6.872649 -0.565466 -1.872966 ESP Fit Center 1744 is at 6.586370 -0.163649 -1.992468 ESP Fit Center 1745 is at 6.381525 0.191153 -1.992468 ESP Fit Center 1746 is at 5.971835 0.191153 -1.992468 ESP Fit Center 1747 is at 5.766991 -0.163649 -1.992468 ESP Fit Center 1748 is at 5.971835 -0.518450 -1.992468 ESP Fit Center 1749 is at 6.381525 -0.518450 -1.992468 ESP Fit Center 1750 is at 6.176680 -0.163649 -2.032819 ESP Fit Center 1751 is at 5.230896 0.950773 2.177985 ESP Fit Center 1752 is at 5.640586 0.950773 2.137634 ESP Fit Center 1753 is at 5.435741 1.305575 2.137634 ESP Fit Center 1754 is at 5.026051 1.305575 2.137634 ESP Fit Center 1755 is at 4.821207 0.950773 2.137634 ESP Fit Center 1756 is at 5.026051 0.595972 2.137634 ESP Fit Center 1757 is at 5.435741 0.595972 2.137634 ESP Fit Center 1758 is at 6.034531 0.950773 2.018132 ESP Fit Center 1759 is at 5.926865 1.352591 2.018132 ESP Fit Center 1760 is at 5.632714 1.646742 2.018132 ESP Fit Center 1761 is at 5.230896 1.754409 2.018132 ESP Fit Center 1762 is at 4.829079 1.646742 2.018132 ESP Fit Center 1763 is at 4.534928 1.352591 2.018132 ESP Fit Center 1764 is at 4.829079 0.254805 2.018132 ESP Fit Center 1765 is at 5.230896 0.147138 2.018132 ESP Fit Center 1766 is at 6.318809 1.372233 1.824072 ESP Fit Center 1767 is at 6.093096 1.736772 1.824072 ESP Fit Center 1768 is at 5.750938 1.995158 1.824072 ESP Fit Center 1769 is at 5.338545 2.112494 1.824072 ESP Fit Center 1770 is at 4.911614 2.072933 1.824072 ESP Fit Center 1771 is at 4.527804 1.881818 1.824072 ESP Fit Center 1772 is at 4.911614 -0.171386 1.824072 ESP Fit Center 1773 is at 6.655671 1.369125 1.562910 ESP Fit Center 1774 is at 6.480094 1.753584 1.562910 ESP Fit Center 1775 is at 4.614036 2.301508 1.562910 ESP Fit Center 1776 is at 6.776979 1.762220 -1.088712 ESP Fit Center 1777 is at 6.655671 1.369125 -1.406939 ESP Fit Center 1778 is at 6.480094 1.753584 -1.406939 ESP Fit Center 1779 is at 5.019569 2.420583 -1.406939 ESP Fit Center 1780 is at 4.614036 2.301508 -1.406939 ESP Fit Center 1781 is at 6.318809 1.372233 -1.668101 ESP Fit Center 1782 is at 6.093096 1.736772 -1.668101 ESP Fit Center 1783 is at 5.750938 1.995158 -1.668101 ESP Fit Center 1784 is at 5.338545 2.112494 -1.668101 ESP Fit Center 1785 is at 4.911614 2.072933 -1.668101 ESP Fit Center 1786 is at 4.527804 1.881818 -1.668101 ESP Fit Center 1787 is at 4.911614 -0.171386 -1.668101 ESP Fit Center 1788 is at 6.034531 0.950773 -1.862162 ESP Fit Center 1789 is at 5.926865 1.352591 -1.862162 ESP Fit Center 1790 is at 5.632714 1.646742 -1.862162 ESP Fit Center 1791 is at 5.230896 1.754409 -1.862162 ESP Fit Center 1792 is at 4.829079 1.646742 -1.862162 ESP Fit Center 1793 is at 4.534928 1.352591 -1.862162 ESP Fit Center 1794 is at 4.829079 0.254805 -1.862162 ESP Fit Center 1795 is at 5.230896 0.147138 -1.862162 ESP Fit Center 1796 is at 5.640586 0.950773 -1.981664 ESP Fit Center 1797 is at 5.435741 1.305575 -1.981664 ESP Fit Center 1798 is at 5.026051 1.305575 -1.981664 ESP Fit Center 1799 is at 4.821207 0.950773 -1.981664 ESP Fit Center 1800 is at 5.026051 0.595972 -1.981664 ESP Fit Center 1801 is at 5.435741 0.595972 -1.981664 ESP Fit Center 1802 is at 5.230896 0.950773 -2.022015 ESP Fit Center 1803 is at 3.920867 0.714642 2.146180 ESP Fit Center 1804 is at 4.330557 0.714642 2.105829 ESP Fit Center 1805 is at 4.125712 1.069444 2.105829 ESP Fit Center 1806 is at 3.716022 1.069444 2.105829 ESP Fit Center 1807 is at 3.511177 0.714642 2.105829 ESP Fit Center 1808 is at 3.716022 0.359840 2.105829 ESP Fit Center 1809 is at 4.125712 0.359840 2.105829 ESP Fit Center 1810 is at 4.322685 1.410610 1.986327 ESP Fit Center 1811 is at 3.920867 1.518277 1.986327 ESP Fit Center 1812 is at 3.519049 1.410610 1.986327 ESP Fit Center 1813 is at 3.224899 1.116460 1.986327 ESP Fit Center 1814 is at 3.117232 0.714642 1.986327 ESP Fit Center 1815 is at 3.224899 0.312824 1.986327 ESP Fit Center 1816 is at 3.519049 0.018673 1.986327 ESP Fit Center 1817 is at 3.920867 -0.088993 1.986327 ESP Fit Center 1818 is at 4.322685 0.018673 1.986327 ESP Fit Center 1819 is at 4.616836 0.312824 1.986327 ESP Fit Center 1820 is at 4.028516 1.876362 1.792266 ESP Fit Center 1821 is at 3.601585 1.836801 1.792266 ESP Fit Center 1822 is at 3.217775 1.645687 1.792266 ESP Fit Center 1823 is at 2.928921 1.328829 1.792266 ESP Fit Center 1824 is at 2.774035 0.929022 1.792266 ESP Fit Center 1825 is at 2.774035 0.500262 1.792266 ESP Fit Center 1826 is at 4.132194 2.184452 1.531104 ESP Fit Center 1827 is at 3.709540 2.184452 1.531104 ESP Fit Center 1828 is at 2.496093 1.132993 1.531104 ESP Fit Center 1829 is at 2.435943 0.714642 1.531104 ESP Fit Center 1830 is at 4.131334 2.447997 1.212877 ESP Fit Center 1831 is at 4.131334 2.447997 -1.120518 ESP Fit Center 1832 is at 4.132194 2.184452 -1.438744 ESP Fit Center 1833 is at 3.709540 2.184452 -1.438744 ESP Fit Center 1834 is at 2.496093 1.132993 -1.438744 ESP Fit Center 1835 is at 4.440909 1.759027 -1.699906 ESP Fit Center 1836 is at 4.028516 1.876362 -1.699906 ESP Fit Center 1837 is at 3.601585 1.836801 -1.699906 ESP Fit Center 1838 is at 3.217775 1.645687 -1.699906 ESP Fit Center 1839 is at 2.928921 1.328829 -1.699906 ESP Fit Center 1840 is at 2.774035 0.929022 -1.699906 ESP Fit Center 1841 is at 2.774035 0.500262 -1.699906 ESP Fit Center 1842 is at 4.322685 1.410610 -1.893967 ESP Fit Center 1843 is at 3.920867 1.518277 -1.893967 ESP Fit Center 1844 is at 3.519049 1.410610 -1.893967 ESP Fit Center 1845 is at 3.224899 1.116460 -1.893967 ESP Fit Center 1846 is at 3.117232 0.714642 -1.893967 ESP Fit Center 1847 is at 3.224899 0.312824 -1.893967 ESP Fit Center 1848 is at 4.322685 0.018673 -1.893967 ESP Fit Center 1849 is at 4.616836 0.312824 -1.893967 ESP Fit Center 1850 is at 4.330557 0.714642 -2.013469 ESP Fit Center 1851 is at 4.125712 1.069444 -2.013469 ESP Fit Center 1852 is at 3.716022 1.069444 -2.013469 ESP Fit Center 1853 is at 3.511177 0.714642 -2.013469 ESP Fit Center 1854 is at 3.716022 0.359840 -2.013469 ESP Fit Center 1855 is at 4.125712 0.359840 -2.013469 ESP Fit Center 1856 is at 3.920867 0.714642 -2.053820 ESP Fit Center 1857 is at 3.717878 -3.055298 1.580913 ESP Fit Center 1858 is at 4.152694 -3.055298 1.580913 ESP Fit Center 1859 is at 3.095286 -2.678736 1.413081 ESP Fit Center 1860 is at 3.207825 -3.098736 1.413081 ESP Fit Center 1861 is at 3.515286 -3.406197 1.413081 ESP Fit Center 1862 is at 3.935286 -3.518736 1.413081 ESP Fit Center 1863 is at 4.355286 -3.406197 1.413081 ESP Fit Center 1864 is at 2.925280 -3.304105 1.146097 ESP Fit Center 1865 is at 3.219393 -3.626732 1.146097 ESP Fit Center 1866 is at 3.610191 -3.821327 1.146097 ESP Fit Center 1867 is at 4.044896 -3.861608 1.146097 ESP Fit Center 1868 is at 4.464796 -3.742136 1.146097 ESP Fit Center 1869 is at 4.813184 -3.479046 1.146097 ESP Fit Center 1870 is at 2.868753 -3.668335 0.798158 ESP Fit Center 1871 is at 3.207825 -3.938736 0.798158 ESP Fit Center 1872 is at 3.611536 -4.097181 0.798158 ESP Fit Center 1873 is at 4.044013 -4.129590 0.798158 ESP Fit Center 1874 is at 4.466829 -4.033085 0.798158 ESP Fit Center 1875 is at 4.842416 -3.816240 0.798158 ESP Fit Center 1876 is at 5.137400 -3.498323 0.798158 ESP Fit Center 1877 is at 2.787825 -3.826197 0.392974 ESP Fit Center 1878 is at 3.123909 -4.084083 0.392974 ESP Fit Center 1879 is at 3.515286 -4.246197 0.392974 ESP Fit Center 1880 is at 3.935286 -4.301491 0.392974 ESP Fit Center 1881 is at 4.355286 -4.246197 0.392974 ESP Fit Center 1882 is at 4.746664 -4.084083 0.392974 ESP Fit Center 1883 is at 5.082748 -3.826197 0.392974 ESP Fit Center 1884 is at 5.340634 -3.490114 0.392974 ESP Fit Center 1885 is at 2.864414 -3.973198 -0.041842 ESP Fit Center 1886 is at 3.219977 -4.198845 -0.041842 ESP Fit Center 1887 is at 3.620486 -4.328979 -0.041842 ESP Fit Center 1888 is at 4.040774 -4.355421 -0.041842 ESP Fit Center 1889 is at 4.454435 -4.276511 -0.041842 ESP Fit Center 1890 is at 4.835475 -4.097207 -0.041842 ESP Fit Center 1891 is at 5.159954 -3.828775 -0.041842 ESP Fit Center 1892 is at 2.787825 -3.826197 -0.476658 ESP Fit Center 1893 is at 3.123909 -4.084083 -0.476658 ESP Fit Center 1894 is at 3.515286 -4.246197 -0.476658 ESP Fit Center 1895 is at 3.935286 -4.301491 -0.476658 ESP Fit Center 1896 is at 4.355286 -4.246197 -0.476658 ESP Fit Center 1897 is at 4.746664 -4.084083 -0.476658 ESP Fit Center 1898 is at 5.082748 -3.826197 -0.476658 ESP Fit Center 1899 is at 5.340634 -3.490114 -0.476658 ESP Fit Center 1900 is at 2.868753 -3.668335 -0.881842 ESP Fit Center 1901 is at 3.207825 -3.938736 -0.881842 ESP Fit Center 1902 is at 3.611536 -4.097181 -0.881842 ESP Fit Center 1903 is at 4.044013 -4.129590 -0.881842 ESP Fit Center 1904 is at 4.466829 -4.033085 -0.881842 ESP Fit Center 1905 is at 4.842416 -3.816240 -0.881842 ESP Fit Center 1906 is at 5.137400 -3.498323 -0.881842 ESP Fit Center 1907 is at 2.925280 -3.304105 -1.229782 ESP Fit Center 1908 is at 3.219393 -3.626732 -1.229782 ESP Fit Center 1909 is at 3.610191 -3.821327 -1.229782 ESP Fit Center 1910 is at 4.044896 -3.861608 -1.229782 ESP Fit Center 1911 is at 4.464796 -3.742136 -1.229782 ESP Fit Center 1912 is at 4.813184 -3.479046 -1.229782 ESP Fit Center 1913 is at 3.095286 -2.678736 -1.496765 ESP Fit Center 1914 is at 3.207825 -3.098736 -1.496765 ESP Fit Center 1915 is at 3.515286 -3.406197 -1.496765 ESP Fit Center 1916 is at 3.935286 -3.518736 -1.496765 ESP Fit Center 1917 is at 4.355286 -3.406197 -1.496765 ESP Fit Center 1918 is at 3.717878 -3.055298 -1.664598 ESP Fit Center 1919 is at 4.152694 -3.055298 -1.664598 ESP Fit Center 1920 is at 6.849082 -2.224801 1.641397 ESP Fit Center 1921 is at 6.631674 -2.601363 1.641397 ESP Fit Center 1922 is at 7.254266 -2.224801 1.473564 ESP Fit Center 1923 is at 5.994266 -2.952263 1.473564 ESP Fit Center 1924 is at 6.414266 -3.064801 1.473564 ESP Fit Center 1925 is at 6.834266 -2.952263 1.473564 ESP Fit Center 1926 is at 7.141727 -2.644801 1.473564 ESP Fit Center 1927 is at 7.602205 -2.224801 1.206581 ESP Fit Center 1928 is at 7.521986 -1.795668 1.206581 ESP Fit Center 1929 is at 5.698372 -3.172798 1.206581 ESP Fit Center 1930 is at 6.089171 -3.367392 1.206581 ESP Fit Center 1931 is at 6.523875 -3.407673 1.206581 ESP Fit Center 1932 is at 6.943776 -3.288201 1.206581 ESP Fit Center 1933 is at 7.292163 -3.025111 1.206581 ESP Fit Center 1934 is at 7.521986 -2.653935 1.206581 ESP Fit Center 1935 is at 7.869188 -2.224801 0.858642 ESP Fit Center 1936 is at 7.804550 -1.795955 0.858642 ESP Fit Center 1937 is at 5.686804 -3.484801 0.858642 ESP Fit Center 1938 is at 6.090515 -3.643246 0.858642 ESP Fit Center 1939 is at 6.522992 -3.675656 0.858642 ESP Fit Center 1940 is at 6.945809 -3.579151 0.858642 ESP Fit Center 1941 is at 7.321395 -3.362306 0.858642 ESP Fit Center 1942 is at 7.616379 -3.044389 0.858642 ESP Fit Center 1943 is at 7.804550 -2.653647 0.858642 ESP Fit Center 1944 is at 8.037021 -2.224801 0.453458 ESP Fit Center 1945 is at 7.981727 -1.804801 0.453458 ESP Fit Center 1946 is at 5.602888 -3.630149 0.453458 ESP Fit Center 1947 is at 5.994266 -3.792263 0.453458 ESP Fit Center 1948 is at 6.414266 -3.847557 0.453458 ESP Fit Center 1949 is at 6.834266 -3.792263 0.453458 ESP Fit Center 1950 is at 7.225643 -3.630149 0.453458 ESP Fit Center 1951 is at 7.561727 -3.372263 0.453458 ESP Fit Center 1952 is at 7.819613 -3.036179 0.453458 ESP Fit Center 1953 is at 7.981727 -2.644801 0.453458 ESP Fit Center 1954 is at 8.094266 -2.224801 0.018642 ESP Fit Center 1955 is at 8.041485 -1.807002 0.018642 ESP Fit Center 1956 is at 5.698956 -3.744911 0.018642 ESP Fit Center 1957 is at 6.099465 -3.875044 0.018642 ESP Fit Center 1958 is at 6.519754 -3.901486 0.018642 ESP Fit Center 1959 is at 6.933414 -3.822576 0.018642 ESP Fit Center 1960 is at 7.314455 -3.643272 0.018642 ESP Fit Center 1961 is at 7.638933 -3.374841 0.018642 ESP Fit Center 1962 is at 7.886461 -3.034148 0.018642 ESP Fit Center 1963 is at 8.041485 -2.642600 0.018642 ESP Fit Center 1964 is at 8.037021 -2.224801 -0.416174 ESP Fit Center 1965 is at 7.981727 -1.804801 -0.416174 ESP Fit Center 1966 is at 5.602888 -3.630149 -0.416174 ESP Fit Center 1967 is at 5.994266 -3.792263 -0.416174 ESP Fit Center 1968 is at 6.414266 -3.847557 -0.416174 ESP Fit Center 1969 is at 6.834266 -3.792263 -0.416174 ESP Fit Center 1970 is at 7.225643 -3.630149 -0.416174 ESP Fit Center 1971 is at 7.561727 -3.372263 -0.416174 ESP Fit Center 1972 is at 7.819613 -3.036179 -0.416174 ESP Fit Center 1973 is at 7.981727 -2.644801 -0.416174 ESP Fit Center 1974 is at 7.869188 -2.224801 -0.821358 ESP Fit Center 1975 is at 7.804550 -1.795955 -0.821358 ESP Fit Center 1976 is at 5.686804 -3.484801 -0.821358 ESP Fit Center 1977 is at 6.090515 -3.643246 -0.821358 ESP Fit Center 1978 is at 6.522992 -3.675656 -0.821358 ESP Fit Center 1979 is at 6.945809 -3.579151 -0.821358 ESP Fit Center 1980 is at 7.321395 -3.362306 -0.821358 ESP Fit Center 1981 is at 7.616379 -3.044389 -0.821358 ESP Fit Center 1982 is at 7.804550 -2.653647 -0.821358 ESP Fit Center 1983 is at 7.602205 -2.224801 -1.169298 ESP Fit Center 1984 is at 7.521986 -1.795668 -1.169298 ESP Fit Center 1985 is at 5.698372 -3.172798 -1.169298 ESP Fit Center 1986 is at 6.089171 -3.367392 -1.169298 ESP Fit Center 1987 is at 6.523875 -3.407673 -1.169298 ESP Fit Center 1988 is at 6.943776 -3.288201 -1.169298 ESP Fit Center 1989 is at 7.292163 -3.025111 -1.169298 ESP Fit Center 1990 is at 7.521986 -2.653935 -1.169298 ESP Fit Center 1991 is at 7.254266 -2.224801 -1.436281 ESP Fit Center 1992 is at 5.994266 -2.952263 -1.436281 ESP Fit Center 1993 is at 6.414266 -3.064801 -1.436281 ESP Fit Center 1994 is at 6.834266 -2.952263 -1.436281 ESP Fit Center 1995 is at 7.141727 -2.644801 -1.436281 ESP Fit Center 1996 is at 6.849082 -2.224801 -1.604114 ESP Fit Center 1997 is at 6.631674 -2.601363 -1.604114 ESP Fit Center 1998 is at 7.654925 0.024744 1.715896 ESP Fit Center 1999 is at 7.437517 0.401306 1.715896 ESP Fit Center 2000 is at 8.060109 0.024744 1.548063 ESP Fit Center 2001 is at 7.947570 0.444744 1.548063 ESP Fit Center 2002 is at 7.640109 0.752206 1.548063 ESP Fit Center 2003 is at 7.640109 -0.702717 1.548063 ESP Fit Center 2004 is at 7.947570 -0.395256 1.548063 ESP Fit Center 2005 is at 8.408048 0.024744 1.281080 ESP Fit Center 2006 is at 8.327829 0.453878 1.281080 ESP Fit Center 2007 is at 8.098007 0.825054 1.281080 ESP Fit Center 2008 is at 7.749619 1.088144 1.281080 ESP Fit Center 2009 is at 7.329718 1.207616 1.281080 ESP Fit Center 2010 is at 7.749619 -1.038655 1.281080 ESP Fit Center 2011 is at 8.098007 -0.775565 1.281080 ESP Fit Center 2012 is at 8.327829 -0.404389 1.281080 ESP Fit Center 2013 is at 8.675031 0.024744 0.933141 ESP Fit Center 2014 is at 8.610393 0.453590 0.933141 ESP Fit Center 2015 is at 8.422222 0.844332 0.933141 ESP Fit Center 2016 is at 8.127238 1.162249 0.933141 ESP Fit Center 2017 is at 7.751652 1.379094 0.933141 ESP Fit Center 2018 is at 7.328835 1.475599 0.933141 ESP Fit Center 2019 is at 7.751652 -1.329605 0.933141 ESP Fit Center 2020 is at 8.127238 -1.112760 0.933141 ESP Fit Center 2021 is at 8.422222 -0.794843 0.933141 ESP Fit Center 2022 is at 8.610393 -0.404102 0.933141 ESP Fit Center 2023 is at 8.842864 0.024744 0.527957 ESP Fit Center 2024 is at 8.787570 0.444744 0.527957 ESP Fit Center 2025 is at 8.625456 0.836122 0.527957 ESP Fit Center 2026 is at 8.367570 1.172206 0.527957 ESP Fit Center 2027 is at 8.031486 1.430092 0.527957 ESP Fit Center 2028 is at 7.640109 1.592206 0.527957 ESP Fit Center 2029 is at 7.220109 1.647500 0.527957 ESP Fit Center 2030 is at 8.031486 -1.380603 0.527957 ESP Fit Center 2031 is at 8.367570 -1.122717 0.527957 ESP Fit Center 2032 is at 8.625456 -0.786633 0.527957 ESP Fit Center 2033 is at 8.787570 -0.395256 0.527957 ESP Fit Center 2034 is at 8.900109 0.024744 0.093141 ESP Fit Center 2035 is at 8.847328 0.442543 0.093141 ESP Fit Center 2036 is at 8.692304 0.834091 0.093141 ESP Fit Center 2037 is at 8.444776 1.174784 0.093141 ESP Fit Center 2038 is at 8.120298 1.443215 0.093141 ESP Fit Center 2039 is at 7.739257 1.622519 0.093141 ESP Fit Center 2040 is at 7.325597 1.701429 0.093141 ESP Fit Center 2041 is at 8.120298 -1.393726 0.093141 ESP Fit Center 2042 is at 8.444776 -1.125295 0.093141 ESP Fit Center 2043 is at 8.692304 -0.784602 0.093141 ESP Fit Center 2044 is at 8.847328 -0.393055 0.093141 ESP Fit Center 2045 is at 8.842864 0.024744 -0.341675 ESP Fit Center 2046 is at 8.787570 0.444744 -0.341675 ESP Fit Center 2047 is at 8.625456 0.836122 -0.341675 ESP Fit Center 2048 is at 8.367570 1.172206 -0.341675 ESP Fit Center 2049 is at 8.031486 1.430092 -0.341675 ESP Fit Center 2050 is at 7.640109 1.592206 -0.341675 ESP Fit Center 2051 is at 7.220109 1.647500 -0.341675 ESP Fit Center 2052 is at 8.031486 -1.380603 -0.341675 ESP Fit Center 2053 is at 8.367570 -1.122717 -0.341675 ESP Fit Center 2054 is at 8.625456 -0.786633 -0.341675 ESP Fit Center 2055 is at 8.787570 -0.395256 -0.341675 ESP Fit Center 2056 is at 8.675031 0.024744 -0.746859 ESP Fit Center 2057 is at 8.610393 0.453590 -0.746859 ESP Fit Center 2058 is at 8.422222 0.844332 -0.746859 ESP Fit Center 2059 is at 8.127238 1.162249 -0.746859 ESP Fit Center 2060 is at 7.751652 1.379094 -0.746859 ESP Fit Center 2061 is at 7.328835 1.475599 -0.746859 ESP Fit Center 2062 is at 7.751652 -1.329605 -0.746859 ESP Fit Center 2063 is at 8.127238 -1.112760 -0.746859 ESP Fit Center 2064 is at 8.422222 -0.794843 -0.746859 ESP Fit Center 2065 is at 8.610393 -0.404102 -0.746859 ESP Fit Center 2066 is at 8.408048 0.024744 -1.094799 ESP Fit Center 2067 is at 8.327829 0.453878 -1.094799 ESP Fit Center 2068 is at 8.098007 0.825054 -1.094799 ESP Fit Center 2069 is at 7.749619 1.088144 -1.094799 ESP Fit Center 2070 is at 7.329718 1.207616 -1.094799 ESP Fit Center 2071 is at 7.749619 -1.038655 -1.094799 ESP Fit Center 2072 is at 8.098007 -0.775565 -1.094799 ESP Fit Center 2073 is at 8.327829 -0.404389 -1.094799 ESP Fit Center 2074 is at 8.060109 0.024744 -1.361782 ESP Fit Center 2075 is at 7.947570 0.444744 -1.361782 ESP Fit Center 2076 is at 7.640109 0.752206 -1.361782 ESP Fit Center 2077 is at 7.640109 -0.702717 -1.361782 ESP Fit Center 2078 is at 7.947570 -0.395256 -1.361782 ESP Fit Center 2079 is at 7.654925 0.024744 -1.529615 ESP Fit Center 2080 is at 7.437517 0.401306 -1.529615 ESP Fit Center 2081 is at 5.805895 2.326003 1.733843 ESP Fit Center 2082 is at 5.371079 2.326003 1.733843 ESP Fit Center 2083 is at 6.428487 1.949442 1.566010 ESP Fit Center 2084 is at 6.315948 2.369442 1.566010 ESP Fit Center 2085 is at 6.008487 2.676903 1.566010 ESP Fit Center 2086 is at 5.588487 2.789442 1.566010 ESP Fit Center 2087 is at 5.168487 2.676903 1.566010 ESP Fit Center 2088 is at 6.776426 1.949442 1.299027 ESP Fit Center 2089 is at 6.696207 2.378575 1.299027 ESP Fit Center 2090 is at 6.466385 2.749751 1.299027 ESP Fit Center 2091 is at 6.117997 3.012841 1.299027 ESP Fit Center 2092 is at 5.698096 3.132313 1.299027 ESP Fit Center 2093 is at 5.263392 3.092032 1.299027 ESP Fit Center 2094 is at 4.872593 2.897438 1.299027 ESP Fit Center 2095 is at 4.578480 2.574811 1.299027 ESP Fit Center 2096 is at 7.043410 1.949442 0.951088 ESP Fit Center 2097 is at 6.978771 2.378287 0.951088 ESP Fit Center 2098 is at 6.790600 2.769029 0.951088 ESP Fit Center 2099 is at 6.495616 3.086946 0.951088 ESP Fit Center 2100 is at 6.120030 3.303791 0.951088 ESP Fit Center 2101 is at 5.697213 3.400296 0.951088 ESP Fit Center 2102 is at 5.264736 3.367886 0.951088 ESP Fit Center 2103 is at 4.861026 3.209442 0.951088 ESP Fit Center 2104 is at 4.521953 2.939040 0.951088 ESP Fit Center 2105 is at 7.211242 1.949442 0.545904 ESP Fit Center 2106 is at 7.155948 2.369442 0.545904 ESP Fit Center 2107 is at 6.993834 2.760819 0.545904 ESP Fit Center 2108 is at 6.735948 3.096903 0.545904 ESP Fit Center 2109 is at 6.399865 3.354789 0.545904 ESP Fit Center 2110 is at 6.008487 3.516903 0.545904 ESP Fit Center 2111 is at 5.588487 3.572197 0.545904 ESP Fit Center 2112 is at 5.168487 3.516903 0.545904 ESP Fit Center 2113 is at 4.777109 3.354789 0.545904 ESP Fit Center 2114 is at 4.441026 3.096903 0.545904 ESP Fit Center 2115 is at 7.268487 1.949442 0.111088 ESP Fit Center 2116 is at 7.215707 2.367241 0.111088 ESP Fit Center 2117 is at 7.060682 2.758788 0.111088 ESP Fit Center 2118 is at 6.813154 3.099481 0.111088 ESP Fit Center 2119 is at 6.488676 3.367912 0.111088 ESP Fit Center 2120 is at 6.107635 3.547216 0.111088 ESP Fit Center 2121 is at 5.693975 3.626126 0.111088 ESP Fit Center 2122 is at 5.273686 3.599684 0.111088 ESP Fit Center 2123 is at 4.873178 3.469551 0.111088 ESP Fit Center 2124 is at 4.517615 3.243904 0.111088 ESP Fit Center 2125 is at 4.229338 2.936921 0.111088 ESP Fit Center 2126 is at 7.211242 1.949442 -0.323728 ESP Fit Center 2127 is at 7.155948 2.369442 -0.323728 ESP Fit Center 2128 is at 6.993834 2.760819 -0.323728 ESP Fit Center 2129 is at 6.735948 3.096903 -0.323728 ESP Fit Center 2130 is at 6.399865 3.354789 -0.323728 ESP Fit Center 2131 is at 6.008487 3.516903 -0.323728 ESP Fit Center 2132 is at 5.588487 3.572197 -0.323728 ESP Fit Center 2133 is at 5.168487 3.516903 -0.323728 ESP Fit Center 2134 is at 4.777109 3.354789 -0.323728 ESP Fit Center 2135 is at 4.441026 3.096903 -0.323728 ESP Fit Center 2136 is at 7.043410 1.949442 -0.728912 ESP Fit Center 2137 is at 6.978771 2.378287 -0.728912 ESP Fit Center 2138 is at 6.790600 2.769029 -0.728912 ESP Fit Center 2139 is at 6.495616 3.086946 -0.728912 ESP Fit Center 2140 is at 6.120030 3.303791 -0.728912 ESP Fit Center 2141 is at 5.697213 3.400296 -0.728912 ESP Fit Center 2142 is at 5.264736 3.367886 -0.728912 ESP Fit Center 2143 is at 4.861026 3.209442 -0.728912 ESP Fit Center 2144 is at 4.521953 2.939040 -0.728912 ESP Fit Center 2145 is at 6.776426 1.949442 -1.076852 ESP Fit Center 2146 is at 6.696207 2.378575 -1.076852 ESP Fit Center 2147 is at 6.466385 2.749751 -1.076852 ESP Fit Center 2148 is at 6.117997 3.012841 -1.076852 ESP Fit Center 2149 is at 5.698096 3.132313 -1.076852 ESP Fit Center 2150 is at 5.263392 3.092032 -1.076852 ESP Fit Center 2151 is at 4.872593 2.897438 -1.076852 ESP Fit Center 2152 is at 6.428487 1.949442 -1.343835 ESP Fit Center 2153 is at 6.315948 2.369442 -1.343835 ESP Fit Center 2154 is at 6.008487 2.676903 -1.343835 ESP Fit Center 2155 is at 5.588487 2.789442 -1.343835 ESP Fit Center 2156 is at 5.168487 2.676903 -1.343835 ESP Fit Center 2157 is at 5.805895 2.326003 -1.511668 ESP Fit Center 2158 is at 5.371079 2.326003 -1.511668 ESP Fit Center 2159 is at 3.023029 1.902228 1.676523 ESP Fit Center 2160 is at 2.805621 1.525666 1.676523 ESP Fit Center 2161 is at 3.660437 2.253128 1.508690 ESP Fit Center 2162 is at 3.240437 2.365666 1.508690 ESP Fit Center 2163 is at 2.820437 2.253128 1.508690 ESP Fit Center 2164 is at 2.512975 1.945666 1.508690 ESP Fit Center 2165 is at 2.400437 1.525666 1.508690 ESP Fit Center 2166 is at 3.769947 2.589066 1.241707 ESP Fit Center 2167 is at 3.350046 2.708538 1.241707 ESP Fit Center 2168 is at 2.915342 2.668257 1.241707 ESP Fit Center 2169 is at 2.524543 2.473663 1.241707 ESP Fit Center 2170 is at 4.147566 2.663171 0.893767 ESP Fit Center 2171 is at 3.771980 2.880016 0.893767 ESP Fit Center 2172 is at 3.349163 2.976521 0.893767 ESP Fit Center 2173 is at 2.916686 2.944111 0.893767 ESP Fit Center 2174 is at 2.512975 2.785666 0.893767 ESP Fit Center 2175 is at 4.051814 2.931014 0.488583 ESP Fit Center 2176 is at 3.660437 3.093128 0.488583 ESP Fit Center 2177 is at 3.240437 3.148422 0.488583 ESP Fit Center 2178 is at 2.820437 3.093128 0.488583 ESP Fit Center 2179 is at 4.140626 2.944137 0.053767 ESP Fit Center 2180 is at 3.759585 3.123441 0.053767 ESP Fit Center 2181 is at 3.345925 3.202351 0.053767 ESP Fit Center 2182 is at 2.925636 3.175909 0.053767 ESP Fit Center 2183 is at 4.051814 2.931014 -0.381049 ESP Fit Center 2184 is at 3.660437 3.093128 -0.381049 ESP Fit Center 2185 is at 3.240437 3.148422 -0.381049 ESP Fit Center 2186 is at 2.820437 3.093128 -0.381049 ESP Fit Center 2187 is at 4.147566 2.663171 -0.786233 ESP Fit Center 2188 is at 3.771980 2.880016 -0.786233 ESP Fit Center 2189 is at 3.349163 2.976521 -0.786233 ESP Fit Center 2190 is at 2.916686 2.944111 -0.786233 ESP Fit 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Center 2264 is at -6.326081 1.769718 -0.226430 ESP Fit Center 2265 is at -5.022982 2.206244 -0.632754 ESP Fit Center 2266 is at -5.446536 2.186068 -0.632754 ESP Fit Center 2267 is at -5.858617 2.086098 -0.632754 ESP Fit Center 2268 is at -6.244333 1.909947 -0.632754 ESP Fit Center 2269 is at -6.589741 1.663983 -0.632754 ESP Fit Center 2270 is at -5.022982 2.206244 -1.046116 ESP Fit Center 2271 is at -5.446536 2.186068 -1.046116 ESP Fit Center 2272 is at -5.858617 2.086098 -1.046116 ESP Fit Center 2273 is at -6.244333 1.909947 -1.046116 ESP Fit Center 2274 is at -6.589741 1.663983 -1.046116 ESP Fit Center 2275 is at -4.708790 2.091417 -1.452440 ESP Fit Center 2276 is at -5.129110 2.132815 -1.452440 ESP Fit Center 2277 is at -5.549430 2.091417 -1.452440 ESP Fit Center 2278 is at -5.953598 1.968815 -1.452440 ESP Fit Center 2279 is at -6.326081 1.769718 -1.452440 ESP Fit Center 2280 is at -4.126527 1.714850 -1.837889 ESP Fit Center 2281 is at -4.509480 1.885352 -1.837889 ESP Fit Center 2282 is at -4.919513 1.972507 -1.837889 ESP Fit Center 2283 is at -5.338707 1.972507 -1.837889 ESP Fit Center 2284 is at -5.748741 1.885352 -1.837889 ESP Fit Center 2285 is at -6.131693 1.714850 -1.837889 ESP Fit Center 2286 is at -6.470828 1.468454 -1.837889 ESP Fit Center 2287 is at -3.759761 1.127346 -2.189337 ESP Fit Center 2288 is at -4.061654 1.412168 -2.189337 ESP Fit Center 2289 is at -4.421095 1.619691 -2.189337 ESP Fit Center 2290 is at -4.818704 1.738727 -2.189337 ESP Fit Center 2291 is at -5.233048 1.762860 -2.189337 ESP Fit Center 2292 is at -5.641788 1.690788 -2.189337 ESP Fit Center 2293 is at -6.022890 1.526397 -2.189337 ESP Fit Center 2294 is at -6.355807 1.278549 -2.189337 ESP Fit Center 2295 is at -3.620032 -0.021674 -2.494815 ESP Fit Center 2296 is at -3.681160 0.403482 -2.494815 ESP Fit Center 2297 is at -3.859593 0.794195 -2.494815 ESP Fit Center 2298 is at -4.140874 1.118811 -2.494815 ESP Fit Center 2299 is at -4.502217 1.351032 -2.494815 ESP Fit Center 2300 is 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Center 2373 is at 1.061275 0.017971 -2.425351 ESP Fit Center 2374 is at -0.315615 -0.272218 2.340743 ESP Fit Center 2375 is at 0.101141 -0.272218 2.304282 ESP Fit Center 2376 is at -0.732371 -0.272218 2.304282 ESP Fit Center 2377 is at -0.523993 -0.633139 2.304282 ESP Fit Center 2378 is at -0.107237 -0.633139 2.304282 ESP Fit Center 2379 is at -1.136463 -0.272218 2.196005 ESP Fit Center 2380 is at -1.026491 -0.682642 2.196005 ESP Fit Center 2381 is at 0.094809 -0.983093 2.196005 ESP Fit Center 2382 is at 0.395260 -0.682642 2.196005 ESP Fit Center 2383 is at 0.603638 -1.043563 -2.137718 ESP Fit Center 2384 is at -1.136463 -0.272218 -2.314519 ESP Fit Center 2385 is at 0.094809 -0.983093 -2.314519 ESP Fit Center 2386 is at 0.395260 -0.682642 -2.314519 ESP Fit Center 2387 is at 0.101141 -0.272218 -2.422796 ESP Fit Center 2388 is at -0.107237 0.088703 -2.422796 ESP Fit Center 2389 is at -0.732371 -0.272218 -2.422796 ESP Fit Center 2390 is at -0.523993 -0.633139 -2.422796 ESP Fit Center 2391 is at -0.107237 -0.633139 -2.422796 ESP Fit Center 2392 is at -0.315615 -0.272218 -2.459257 ESP Fit Center 2393 is at -0.719664 -1.479675 2.298054 ESP Fit Center 2394 is at -0.302908 -1.479675 2.261592 ESP Fit Center 2395 is at -0.511286 -1.118754 2.261592 ESP Fit Center 2396 is at -0.928042 -1.118754 2.261592 ESP Fit Center 2397 is at -1.136419 -1.479675 2.261592 ESP Fit Center 2398 is at -0.928042 -1.840595 2.261592 ESP Fit Center 2399 is at -0.511286 -1.840595 2.261592 ESP Fit Center 2400 is at 0.101184 -1.479675 2.153316 ESP Fit Center 2401 is at -1.130088 -0.768799 2.153316 ESP Fit Center 2402 is at -1.430539 -1.069250 2.153316 ESP Fit Center 2403 is at -1.130088 -2.190550 2.153316 ESP Fit Center 2404 is at -0.719664 -2.300523 2.153316 ESP Fit Center 2405 is at -0.309240 -2.190550 2.153316 ESP Fit Center 2406 is at -0.008788 -1.890099 2.153316 ESP Fit Center 2407 is at 0.480336 -1.479675 1.976515 ESP Fit Center 2408 is at -1.638917 -0.708329 1.976515 ESP Fit Center 2409 is at 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2769 is at -3.281499 -2.314619 3.340751 ESP Fit Center 2770 is at -2.905289 -1.905186 3.036735 ESP Fit Center 2771 is at -2.966094 -1.482273 3.036735 ESP Fit Center 2772 is at -3.143585 -1.093622 3.036735 ESP Fit Center 2773 is at -5.669225 -2.716751 3.036735 ESP Fit Center 2774 is at -5.389427 -3.039655 3.036735 ESP Fit Center 2775 is at -5.029991 -3.270650 3.036735 ESP Fit Center 2776 is at -4.620036 -3.391024 3.036735 ESP Fit Center 2777 is at -4.192774 -3.391024 3.036735 ESP Fit Center 2778 is at -3.782819 -3.270650 3.036735 ESP Fit Center 2779 is at -3.423383 -3.039655 3.036735 ESP Fit Center 2780 is at -3.143585 -2.716751 3.036735 ESP Fit Center 2781 is at -2.966094 -2.328100 3.036735 ESP Fit Center 2782 is at -2.676545 -1.905186 2.672692 ESP Fit Center 2783 is at -2.726811 -1.491204 2.672692 ESP Fit Center 2784 is at -2.874690 -1.101280 2.672692 ESP Fit Center 2785 is at -5.701224 -3.052296 2.672692 ESP Fit Center 2786 is at -5.389078 -3.328834 2.672692 ESP Fit Center 2787 is at 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-3.072273 2.266875 ESP Fit Center 2806 is at -2.719916 -2.717357 2.266875 ESP Fit Center 2807 is at -2.581475 -2.321715 2.266875 ESP Fit Center 2808 is at -5.483884 -3.494349 1.839635 ESP Fit Center 2809 is at -5.117070 -3.688822 1.839635 ESP Fit Center 2810 is at -4.717026 -3.799893 1.839635 ESP Fit Center 2811 is at -4.302458 -3.822371 1.839635 ESP Fit Center 2812 is at -3.892751 -3.755202 1.839635 ESP Fit Center 2813 is at -3.507061 -3.601530 1.839635 ESP Fit Center 2814 is at -5.218575 -3.591676 1.412395 ESP Fit Center 2815 is at -4.822933 -3.730117 1.412395 ESP Fit Center 2816 is at -4.406405 -3.777048 1.412395 ESP Fit Center 2817 is at -3.989877 -3.730117 1.412395 ESP Fit Center 2818 is at -5.019822 -3.522634 1.006578 ESP Fit Center 2819 is at -4.614917 -3.622434 1.006578 ESP Fit Center 2820 is at -6.446449 -1.344439 3.153873 ESP Fit Center 2821 is at -6.740657 -0.927910 3.011871 ESP Fit Center 2822 is at -6.852265 -1.344439 3.011871 ESP Fit Center 2823 is at -6.740657 -1.760967 3.011871 ESP Fit Center 2824 is at -6.435737 -2.065887 3.011871 ESP Fit Center 2825 is at -6.936241 -0.574957 2.783127 ESP Fit Center 2826 is at -7.144115 -0.935006 2.783127 ESP Fit Center 2827 is at -7.216309 -1.344439 2.783127 ESP Fit Center 2828 is at -7.144115 -1.753871 2.783127 ESP Fit Center 2829 is at -6.936241 -2.113920 2.783127 ESP Fit Center 2830 is at -6.617759 -2.381158 2.783127 ESP Fit Center 2831 is at -6.227083 -2.523352 2.783127 ESP Fit Center 2832 is at -7.002231 -0.209970 2.479111 ESP Fit Center 2833 is at -7.282028 -0.532874 2.479111 ESP Fit Center 2834 is at -7.459519 -0.921525 2.479111 ESP Fit Center 2835 is at -7.520325 -1.344439 2.479111 ESP Fit Center 2836 is at -7.459519 -1.767352 2.479111 ESP Fit Center 2837 is at -7.282028 -2.156003 2.479111 ESP Fit Center 2838 is at -7.002231 -2.478907 2.479111 ESP Fit Center 2839 is at -6.642795 -2.709902 2.479111 ESP Fit Center 2840 is at -6.232840 -2.830276 2.479111 ESP Fit Center 2841 is at -7.001881 0.079208 2.115068 ESP Fit Center 2842 is at -7.314028 -0.197329 2.115068 ESP Fit Center 2843 is at -7.550924 -0.540532 2.115068 ESP Fit Center 2844 is at -7.698802 -0.930456 2.115068 ESP Fit Center 2845 is at -7.749069 -1.344439 2.115068 ESP Fit Center 2846 is at -7.698802 -1.758421 2.115068 ESP Fit Center 2847 is at -7.550924 -2.148345 2.115068 ESP Fit Center 2848 is at -7.314028 -2.491548 2.115068 ESP Fit Center 2849 is at -7.001881 -2.768086 2.115068 ESP Fit Center 2850 is at -6.632625 -2.961886 2.115068 ESP Fit Center 2851 is at -6.227720 -3.061686 2.115068 ESP Fit Center 2852 is at -6.831379 0.342050 1.709251 ESP Fit Center 2853 is at -7.186295 0.119042 1.709251 ESP Fit Center 2854 is at -7.482689 -0.177352 1.709251 ESP Fit Center 2855 is at -7.705698 -0.532268 1.709251 ESP Fit Center 2856 is at -7.844139 -0.927910 1.709251 ESP Fit Center 2857 is at -7.891070 -1.344439 1.709251 ESP Fit Center 2858 is at -7.844139 -1.760967 1.709251 ESP Fit Center 2859 is at -7.705698 -2.156609 1.709251 ESP Fit Center 2860 is at -7.482689 -2.511525 1.709251 ESP Fit Center 2861 is at -7.186295 -2.807919 1.709251 ESP Fit Center 2862 is at -6.831379 -3.030928 1.709251 ESP Fit Center 2863 is at -6.435737 -3.169369 1.709251 ESP Fit Center 2864 is at -7.096688 0.244724 1.282011 ESP Fit Center 2865 is at -7.413120 -0.024056 1.282011 ESP Fit Center 2866 is at -7.664374 -0.354575 1.282011 ESP Fit Center 2867 is at -7.838703 -0.731380 1.282011 ESP Fit Center 2868 is at -7.927953 -1.136850 1.282011 ESP Fit Center 2869 is at -7.927953 -1.552027 1.282011 ESP Fit Center 2870 is at -7.838703 -1.957497 1.282011 ESP Fit Center 2871 is at -7.664374 -2.334302 1.282011 ESP Fit Center 2872 is at -7.413120 -2.664822 1.282011 ESP Fit Center 2873 is at -7.096688 -2.933601 1.282011 ESP Fit Center 2874 is at -6.729874 -3.128074 1.282011 ESP Fit Center 2875 is at -6.329830 -3.239145 1.282011 ESP Fit Center 2876 is at -6.831379 0.342050 0.854771 ESP Fit Center 2877 is at -7.186295 0.119042 0.854771 ESP Fit Center 2878 is at -7.482689 -0.177352 0.854771 ESP Fit Center 2879 is at -7.705698 -0.532268 0.854771 ESP Fit Center 2880 is at -7.844139 -0.927910 0.854771 ESP Fit Center 2881 is at -7.891070 -1.344439 0.854771 ESP Fit Center 2882 is at -7.844139 -1.760967 0.854771 ESP Fit Center 2883 is at -7.705698 -2.156609 0.854771 ESP Fit Center 2884 is at -7.482689 -2.511525 0.854771 ESP Fit Center 2885 is at -7.186295 -2.807919 0.854771 ESP Fit Center 2886 is at -6.831379 -3.030928 0.854771 ESP Fit Center 2887 is at -6.435737 -3.169369 0.854771 ESP Fit Center 2888 is at -7.550924 -0.540532 0.448954 ESP Fit Center 2889 is at -7.698802 -0.930456 0.448954 ESP Fit Center 2890 is at -7.749069 -1.344439 0.448954 ESP Fit Center 2891 is at -7.698802 -1.758421 0.448954 ESP Fit Center 2892 is at -7.550924 -2.148345 0.448954 ESP Fit Center 2893 is at -7.314028 -2.491548 0.448954 ESP Fit Center 2894 is at -7.001881 -2.768086 0.448954 ESP Fit Center 2895 is at -6.632625 -2.961886 0.448954 ESP Fit Center 2896 is at 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-0.142577 2.220483 ESP Fit Center 2915 is at 1.153786 -0.963425 2.220483 ESP Fit Center 2916 is at 1.263759 -1.373849 2.220483 ESP Fit Center 2917 is at 1.564210 -1.674301 2.220483 ESP Fit Center 2918 is at 1.974634 -1.784274 2.220483 ESP Fit Center 2919 is at 2.385058 -1.674301 2.220483 ESP Fit Center 2920 is at 2.685510 -1.373849 2.220483 ESP Fit Center 2921 is at 0.847003 -1.373849 2.043682 ESP Fit Center 2922 is at 2.574634 -2.002656 2.043682 ESP Fit Center 2923 is at 0.847003 -1.373849 -2.113240 ESP Fit Center 2924 is at 2.574634 -2.002656 -2.113240 ESP Fit Center 2925 is at 2.893888 -1.734770 -2.113240 ESP Fit Center 2926 is at 2.685510 -0.553001 -2.290041 ESP Fit Center 2927 is at 2.385058 -0.252550 -2.290041 ESP Fit Center 2928 is at 1.974634 -0.142577 -2.290041 ESP Fit Center 2929 is at 1.153786 -0.963425 -2.290041 ESP Fit Center 2930 is at 1.263759 -1.373849 -2.290041 ESP Fit Center 2931 is at 1.564210 -1.674301 -2.290041 ESP Fit Center 2932 is at 1.974634 -1.784274 -2.290041 ESP Fit Center 2933 is at 2.385058 -1.674301 -2.290041 ESP Fit Center 2934 is at 2.685510 -1.373849 -2.290041 ESP Fit Center 2935 is at 2.391390 -0.963425 -2.398318 ESP Fit Center 2936 is at 2.183012 -0.602504 -2.398318 ESP Fit Center 2937 is at 1.766256 -0.602504 -2.398318 ESP Fit Center 2938 is at 1.557879 -0.963425 -2.398318 ESP Fit Center 2939 is at 1.766256 -1.324346 -2.398318 ESP Fit Center 2940 is at 2.183012 -1.324346 -2.398318 ESP Fit Center 2941 is at 1.974634 -0.963425 -2.434779 ESP Fit Center 2942 is at -4.017054 1.772908 1.666330 ESP Fit Center 2943 is at -4.212637 2.125861 1.437587 ESP Fit Center 2944 is at -4.420512 1.765812 1.437587 ESP Fit Center 2945 is at -4.278627 2.490848 1.133571 ESP Fit Center 2946 is at -4.558425 2.167944 1.133571 ESP Fit Center 2947 is at -4.735916 1.779293 1.133571 ESP Fit Center 2948 is at -4.278278 2.780027 0.769527 ESP Fit Center 2949 is at -4.590424 2.503489 0.769527 ESP Fit Center 2950 is at -4.827320 2.160286 0.769527 ESP Fit Center 2951 is at -4.975199 1.770362 0.769527 ESP Fit Center 2952 is at -4.462692 2.819860 0.363710 ESP Fit Center 2953 is at -4.759086 2.523466 0.363710 ESP Fit Center 2954 is at -4.982094 2.168550 0.363710 ESP Fit Center 2955 is at -4.373084 2.945542 -0.063530 ESP Fit Center 2956 is at -4.689517 2.676763 -0.063530 ESP Fit Center 2957 is at -4.940771 2.346243 -0.063530 ESP Fit Center 2958 is at -4.462692 2.819860 -0.490770 ESP Fit Center 2959 is at -4.759086 2.523466 -0.490770 ESP Fit Center 2960 is at -4.278278 2.780027 -0.896587 ESP Fit Center 2961 is at -4.590424 2.503489 -0.896587 ESP Fit Center 2962 is at -4.278627 2.490848 -1.260630 ESP Fit Center 2963 is at -4.558425 2.167944 -1.260630 ESP Fit Center 2964 is at -4.212637 2.125861 -1.564646 ESP Fit Center 2965 is at -4.017054 1.772908 -1.793390 ESP Fit Center 2966 is at -0.646471 2.788842 3.704743 ESP Fit Center 2967 is at -0.234442 2.788842 3.681604 ESP Fit Center 2968 is at -0.440456 3.145669 3.681604 ESP Fit Center 2969 is at -0.852486 3.145669 3.681604 ESP Fit Center 2970 is at -1.058500 2.788842 3.681604 ESP Fit Center 2971 is at -0.852486 2.432014 3.681604 ESP Fit Center 2972 is at -0.440456 2.432014 3.681604 ESP Fit Center 2973 is at 0.172406 2.788842 3.612477 ESP Fit Center 2974 is at 0.062697 3.198280 3.612477 ESP Fit Center 2975 is at -0.237032 3.498010 3.612477 ESP Fit Center 2976 is at -0.646471 3.607719 3.612477 ESP Fit Center 2977 is at -1.055909 3.498010 3.612477 ESP Fit Center 2978 is at -1.355639 3.198280 3.612477 ESP Fit Center 2979 is at -1.465348 2.788842 3.612477 ESP Fit Center 2980 is at -1.355639 2.379403 3.612477 ESP Fit Center 2981 is at -1.055909 2.079673 3.612477 ESP Fit Center 2982 is at -0.646471 1.969965 3.612477 ESP Fit Center 2983 is at -0.237032 2.079673 3.612477 ESP Fit Center 2984 is at 0.062697 2.379403 3.612477 ESP Fit Center 2985 is at 0.568956 2.788842 3.498233 ESP Fit Center 2986 is at 0.495657 3.204542 3.498233 ESP Fit Center 2987 is at 0.284600 3.570103 3.498233 ESP Fit Center 2988 is at -0.038757 3.841432 3.498233 ESP Fit Center 2989 is at -0.435414 3.985803 3.498233 ESP Fit Center 2990 is at -0.857528 3.985803 3.498233 ESP Fit Center 2991 is at -1.254184 3.841432 3.498233 ESP Fit Center 2992 is at -1.577542 3.570103 3.498233 ESP Fit Center 2993 is at -1.788599 3.204542 3.498233 ESP Fit Center 2994 is at -1.861898 2.788842 3.498233 ESP Fit Center 2995 is at -1.788599 2.373141 3.498233 ESP Fit Center 2996 is at -1.577542 2.007580 3.498233 ESP Fit Center 2997 is at -1.254184 1.736251 3.498233 ESP Fit Center 2998 is at -0.857528 1.591880 3.498233 ESP Fit Center 2999 is at -0.435414 1.591880 3.498233 ESP Fit Center 3000 is at -0.038757 1.736251 3.498233 ESP Fit Center 3001 is at 0.284600 2.007580 3.498233 ESP Fit Center 3002 is at 0.495657 2.373141 3.498233 ESP Fit Center 3003 is at 0.950221 2.788842 3.340308 ESP Fit Center 3004 is at 0.895815 3.202096 3.340308 ESP Fit Center 3005 is at 0.736305 3.587188 3.340308 ESP Fit Center 3006 is at 0.482561 3.917873 3.340308 ESP Fit Center 3007 is at 0.151875 4.171618 3.340308 ESP Fit Center 3008 is at -0.233217 4.331128 3.340308 ESP Fit Center 3009 is at -0.646471 4.385534 3.340308 ESP Fit Center 3010 is at -1.059725 4.331128 3.340308 ESP Fit Center 3011 is at -1.444817 4.171618 3.340308 ESP Fit Center 3012 is at -1.775503 3.917873 3.340308 ESP Fit Center 3013 is at -2.029247 3.587188 3.340308 ESP Fit Center 3014 is at -2.188757 3.202096 3.340308 ESP Fit Center 3015 is at -2.243163 2.788842 3.340308 ESP Fit Center 3016 is at -2.188757 2.375587 3.340308 ESP Fit Center 3017 is at -2.029247 1.990495 3.340308 ESP Fit Center 3018 is at -1.775503 1.659810 3.340308 ESP Fit Center 3019 is at -1.444817 1.406066 3.340308 ESP Fit Center 3020 is at -1.059725 1.246555 3.340308 ESP Fit Center 3021 is at -0.646471 1.192149 3.340308 ESP Fit Center 3022 is at -0.233217 1.246555 3.340308 ESP Fit Center 3023 is at 0.151875 1.406066 3.340308 ESP Fit Center 3024 is at 0.482561 1.659810 3.340308 ESP Fit Center 3025 is at 0.736305 1.990495 3.340308 ESP Fit Center 3026 is at 0.895815 2.375587 3.340308 ESP Fit Center 3027 is at 1.311407 2.788842 3.140688 ESP Fit Center 3028 is at 1.265633 3.209727 3.140688 ESP Fit Center 3029 is at 1.130451 3.610933 3.140688 ESP Fit Center 3030 is at 0.912182 3.973699 3.140688 ESP Fit Center 3031 is at 0.621032 4.281062 3.140688 ESP Fit Center 3032 is at 0.270616 4.518650 3.140688 ESP Fit Center 3033 is at -0.122683 4.675355 3.140688 ESP Fit Center 3034 is at -0.540474 4.743848 3.140688 ESP Fit Center 3035 is at -0.963220 4.720928 3.140688 ESP Fit Center 3036 is at -1.371156 4.607665 3.140688 ESP Fit Center 3037 is at -1.745207 4.409356 3.140688 ESP Fit Center 3038 is at -2.067882 4.135273 3.140688 ESP Fit Center 3039 is at -2.324093 3.798233 3.140688 ESP Fit Center 3040 is at -2.501860 3.413995 3.140688 ESP Fit Center 3041 is at -2.592872 3.000525 3.140688 ESP Fit Center 3042 is at -2.592872 2.577158 3.140688 ESP Fit Center 3043 is at -2.501860 2.163688 3.140688 ESP Fit Center 3044 is at -2.324093 1.779450 3.140688 ESP Fit Center 3045 is at -2.067882 1.442410 3.140688 ESP Fit Center 3046 is at -1.745207 1.168327 3.140688 ESP Fit Center 3047 is at -1.371156 0.970018 3.140688 ESP Fit Center 3048 is at -0.963220 0.856756 3.140688 ESP Fit Center 3049 is at -0.540474 0.833835 3.140688 ESP Fit Center 3050 is at -0.122683 0.902328 3.140688 ESP Fit Center 3051 is at 0.270616 1.059033 3.140688 ESP Fit Center 3052 is at 0.621032 1.296621 3.140688 ESP Fit Center 3053 is at 0.912182 1.603984 3.140688 ESP Fit Center 3054 is at 1.130451 1.966750 3.140688 ESP Fit Center 3055 is at 1.265633 2.367956 3.140688 ESP Fit Center 3056 is at 1.647972 2.788842 2.901882 ESP Fit Center 3057 is at 1.608904 3.210444 2.901882 ESP Fit Center 3058 is at 1.493033 3.617690 2.901882 ESP Fit Center 3059 is at 1.304303 3.996710 2.901882 ESP Fit Center 3060 is at 1.049143 4.334597 2.901882 ESP Fit Center 3061 is at 0.736240 4.619846 2.901882 ESP Fit Center 3062 is at 0.376250 4.842742 2.901882 ESP Fit Center 3063 is at -0.018567 4.995695 2.901882 ESP Fit Center 3064 is at -0.434766 5.073496 2.901882 ESP Fit Center 3065 is at -0.858175 5.073496 2.901882 ESP Fit Center 3066 is at -1.274375 4.995695 2.901882 ESP Fit Center 3067 is at -1.669192 4.842742 2.901882 ESP Fit Center 3068 is at -2.029181 4.619846 2.901882 ESP Fit Center 3069 is at -2.342084 4.334597 2.901882 ESP Fit Center 3070 is at -2.597245 3.996710 2.901882 ESP Fit Center 3071 is at -2.785975 3.617690 2.901882 ESP Fit Center 3072 is at -2.901846 3.210444 2.901882 ESP Fit Center 3073 is at -2.940913 2.788842 2.901882 ESP Fit Center 3074 is at -2.901846 2.367239 2.901882 ESP Fit Center 3075 is at -2.785975 1.959993 2.901882 ESP Fit Center 3076 is at -2.597245 1.580973 2.901882 ESP Fit Center 3077 is at -2.342084 1.243086 2.901882 ESP Fit Center 3078 is at -2.029181 0.957837 2.901882 ESP Fit Center 3079 is at -1.669192 0.734941 2.901882 ESP Fit Center 3080 is at -1.274375 0.581988 2.901882 ESP Fit Center 3081 is at -0.858175 0.504187 2.901882 ESP Fit Center 3082 is at -0.434766 0.504187 2.901882 ESP Fit Center 3083 is at -0.018567 0.581988 2.901882 ESP Fit Center 3084 is at 0.376250 0.734941 2.901882 ESP Fit Center 3085 is at 0.736240 0.957837 2.901882 ESP Fit Center 3086 is at 1.049143 1.243086 2.901882 ESP Fit Center 3087 is at 1.304303 1.580973 2.901882 ESP Fit Center 3088 is at 1.493033 1.959993 2.901882 ESP Fit Center 3089 is at 1.608904 2.367239 2.901882 ESP Fit Center 3090 is at 1.955682 2.788842 2.626896 ESP Fit Center 3091 is at 1.921985 3.206256 2.626896 ESP Fit Center 3092 is at 1.821766 3.612860 2.626896 ESP Fit Center 3093 is at 1.657621 3.998122 2.626896 ESP Fit Center 3094 is at 1.433801 4.352065 2.626896 ESP Fit Center 3095 is at 1.156104 4.665521 2.626896 ESP Fit Center 3096 is at 0.831720 4.930371 2.626896 ESP Fit Center 3097 is at 0.469053 5.139758 2.626896 ESP Fit Center 3098 is at 0.077493 5.288257 2.626896 ESP Fit Center 3099 is at -0.332816 5.372022 2.626896 ESP Fit Center 3100 is at -0.751249 5.388884 2.626896 ESP Fit Center 3101 is at -1.166968 5.338407 2.626896 ESP Fit Center 3102 is at -1.569207 5.221897 2.626896 ESP Fit Center 3103 is at -1.947547 5.042372 2.626896 ESP Fit Center 3104 is at -2.292191 4.804482 2.626896 ESP Fit Center 3105 is at -2.594210 4.514388 2.626896 ESP Fit Center 3106 is at -2.845785 4.179603 2.626896 ESP Fit Center 3107 is at -3.040398 3.808799 2.626896 ESP Fit Center 3108 is at -3.173010 3.411578 2.626896 ESP Fit Center 3109 is at -3.240186 2.998228 2.626896 ESP Fit Center 3110 is at -3.240186 2.579455 2.626896 ESP Fit Center 3111 is at -3.173010 2.166106 2.626896 ESP Fit Center 3112 is at -3.040398 1.768884 2.626896 ESP Fit Center 3113 is at -2.845785 1.398080 2.626896 ESP Fit Center 3114 is at -2.594210 1.063295 2.626896 ESP Fit Center 3115 is at -2.292191 0.773201 2.626896 ESP Fit Center 3116 is at -1.947547 0.535311 2.626896 ESP Fit Center 3117 is at -1.569207 0.355786 2.626896 ESP Fit Center 3118 is at -1.166968 0.239276 2.626896 ESP Fit Center 3119 is at -0.751249 0.188799 2.626896 ESP Fit Center 3120 is at -0.332816 0.205661 2.626896 ESP Fit Center 3121 is at 0.077493 0.289427 2.626896 ESP Fit Center 3122 is at 0.469053 0.437925 2.626896 ESP Fit Center 3123 is at 0.831720 0.647312 2.626896 ESP Fit Center 3124 is at 1.156104 0.912162 2.626896 ESP Fit Center 3125 is at 1.433801 1.225618 2.626896 ESP Fit Center 3126 is at 1.657621 1.579561 2.626896 ESP Fit Center 3127 is at 1.821766 1.964823 2.626896 ESP Fit Center 3128 is at 1.921985 2.371427 2.626896 ESP Fit Center 3129 is at 2.230669 2.788842 2.319185 ESP Fit Center 3130 is at 2.200008 3.207756 2.319185 ESP Fit Center 3131 is at 2.108680 3.617743 2.319185 ESP Fit Center 3132 is at 1.958630 4.010063 2.319185 ESP Fit Center 3133 is at 1.753057 4.376355 2.319185 ESP Fit Center 3134 is at 1.496343 4.708811 2.319185 ESP Fit Center 3135 is at 1.193958 5.000347 2.319185 ESP Fit Center 3136 is at 0.852347 5.244748 2.319185 ESP Fit Center 3137 is at 0.478792 5.436806 2.319185 ESP Fit Center 3138 is at 0.081254 5.572427 2.319185 ESP Fit Center 3139 is at -0.331795 5.648721 2.319185 ESP Fit Center 3140 is at -0.751550 5.664062 2.319185 ESP Fit Center 3141 is at -1.169066 5.618122 2.319185 ESP Fit Center 3142 is at -1.575443 5.511881 2.319185 ESP Fit Center 3143 is at -1.962021 5.347603 2.319185 ESP Fit Center 3144 is at -2.320560 5.128790 2.319185 ESP Fit Center 3145 is at -2.643419 4.860105 2.319185 ESP Fit Center 3146 is at -2.923717 4.547274 2.319185 ESP Fit Center 3147 is at -3.155479 4.196965 2.319185 ESP Fit Center 3148 is at -3.333766 3.816645 2.319185 ESP Fit Center 3149 is at -3.454778 3.414419 2.319185 ESP Fit Center 3150 is at -3.515935 2.998859 2.319185 ESP Fit Center 3151 is at -3.515935 2.578824 2.319185 ESP Fit Center 3152 is at -3.454778 2.163265 2.319185 ESP Fit Center 3153 is at -3.333766 1.761038 2.319185 ESP Fit Center 3154 is at -3.155479 1.380718 2.319185 ESP Fit Center 3155 is at -2.923717 1.030409 2.319185 ESP Fit Center 3156 is at -2.643419 0.717579 2.319185 ESP Fit Center 3157 is at -2.320560 0.448893 2.319185 ESP Fit Center 3158 is at -1.962021 0.230080 2.319185 ESP Fit Center 3159 is at -1.575443 0.065802 2.319185 ESP Fit Center 3160 is at -1.169066 -0.040439 2.319185 ESP Fit Center 3161 is at -0.751550 -0.086379 2.319185 ESP Fit Center 3162 is at 0.081254 0.005256 2.319185 ESP Fit Center 3163 is at 0.478792 0.140877 2.319185 ESP Fit Center 3164 is at 1.193958 0.577336 2.319185 ESP Fit Center 3165 is at 1.496343 0.868872 2.319185 ESP Fit Center 3166 is at 1.753057 1.201329 2.319185 ESP Fit Center 3167 is at 1.958630 1.567620 2.319185 ESP Fit Center 3168 is at 2.108680 1.959940 2.319185 ESP Fit Center 3169 is at 2.200008 2.369927 2.319185 ESP Fit Center 3170 is at 2.469474 2.788842 1.982621 ESP Fit Center 3171 is at 2.441672 3.204156 1.982621 ESP Fit Center 3172 is at 2.358762 3.612060 1.982621 ESP Fit Center 3173 is at 2.222224 4.005273 1.982621 ESP Fit Center 3174 is at 2.034493 4.376779 1.982621 ESP Fit Center 3175 is at 1.798921 4.719948 1.982621 ESP Fit Center 3176 is at 1.519710 5.028657 1.982621 ESP Fit Center 3177 is at 1.201845 5.297396 1.982621 ESP Fit Center 3178 is at 0.850995 5.521369 1.982621 ESP Fit Center 3179 is at 0.473424 5.696581 1.982621 ESP Fit Center 3180 is at 0.075868 5.819904 1.982621 ESP Fit Center 3181 is at -0.334578 5.889138 1.982621 ESP Fit Center 3182 is at -0.750590 5.903047 1.982621 ESP Fit Center 3183 is at -1.164744 5.861382 1.982621 ESP Fit Center 3184 is at -1.569649 5.764888 1.982621 ESP Fit Center 3185 is at -1.958081 5.615287 1.982621 ESP Fit Center 3186 is at -2.323106 5.415248 1.982621 ESP Fit Center 3187 is at -2.658212 5.168340 1.982621 ESP Fit Center 3188 is at -2.957418 4.878970 1.982621 ESP Fit Center 3189 is at -3.215386 4.552302 1.982621 ESP Fit Center 3190 is at -3.427511 4.194164 1.982621 ESP Fit Center 3191 is at -3.590008 3.810949 1.982621 ESP Fit Center 3192 is at -3.699978 3.409494 1.982621 ESP Fit Center 3193 is at -3.755458 2.996964 1.982621 ESP Fit Center 3194 is at -3.755458 2.580719 1.982621 ESP Fit Center 3195 is at -3.699978 2.168189 1.982621 ESP Fit Center 3196 is at -3.590008 1.766734 1.982621 ESP Fit Center 3197 is at 2.034493 1.200904 1.982621 ESP Fit Center 3198 is at 2.222224 1.572410 1.982621 ESP Fit Center 3199 is at 2.358762 1.965623 1.982621 ESP Fit Center 3200 is at 2.441672 2.373527 1.982621 ESP Fit Center 3201 is at 2.669094 2.788842 1.621435 ESP Fit Center 3202 is at 2.642950 3.204392 1.621435 ESP Fit Center 3203 is at 2.564930 3.613389 1.621435 ESP Fit Center 3204 is at 2.436264 4.009383 1.621435 ESP Fit Center 3205 is at 2.258981 4.386127 1.621435 ESP Fit Center 3206 is at 2.035878 4.737682 1.621435 ESP Fit Center 3207 is at 1.770472 5.058502 1.621435 ESP Fit Center 3208 is at 1.466950 5.343529 1.621435 ESP Fit Center 3209 is at 1.130098 5.588266 1.621435 ESP Fit Center 3210 is at 0.765228 5.788855 1.621435 ESP Fit Center 3211 is at 0.378095 5.942132 1.621435 ESP Fit Center 3212 is at -0.025196 6.045679 1.621435 ESP Fit Center 3213 is at -0.438285 6.097864 1.621435 ESP Fit Center 3214 is at -0.854657 6.097864 1.621435 ESP Fit Center 3215 is at -1.267746 6.045679 1.621435 ESP Fit Center 3216 is at -1.671037 5.942132 1.621435 ESP Fit Center 3217 is at -2.058170 5.788855 1.621435 ESP Fit Center 3218 is at -2.423040 5.588266 1.621435 ESP Fit Center 3219 is at -2.759892 5.343529 1.621435 ESP Fit Center 3220 is at -3.063414 5.058502 1.621435 ESP Fit Center 3221 is at -3.328820 4.737682 1.621435 ESP Fit Center 3222 is at -3.551923 4.386127 1.621435 ESP Fit Center 3223 is at -3.729206 4.009383 1.621435 ESP Fit Center 3224 is at -3.857872 3.613389 1.621435 ESP Fit Center 3225 is at -3.935892 3.204392 1.621435 ESP Fit Center 3226 is at -3.962036 2.788842 1.621435 ESP Fit Center 3227 is at -3.935892 2.373291 1.621435 ESP Fit Center 3228 is at 2.801694 3.207525 1.240170 ESP Fit Center 3229 is at 2.726086 3.620102 1.240170 ESP Fit Center 3230 is at 2.601299 4.020558 1.240170 ESP Fit Center 3231 is at 2.429152 4.403053 1.240170 ESP Fit Center 3232 is at 2.212156 4.762009 1.240170 ESP Fit Center 3233 is at 1.953474 5.092192 1.240170 ESP Fit Center 3234 is at 1.656879 5.388787 1.240170 ESP Fit Center 3235 is at 1.326697 5.647468 1.240170 ESP Fit Center 3236 is at 0.967741 5.864465 1.240170 ESP Fit Center 3237 is at 0.585246 6.036612 1.240170 ESP Fit Center 3238 is at 0.184790 6.161399 1.240170 ESP Fit Center 3239 is at -0.227788 6.237007 1.240170 ESP Fit Center 3240 is at -0.646471 6.262332 1.240170 ESP Fit Center 3241 is at -1.065154 6.237007 1.240170 ESP Fit Center 3242 is at -1.477732 6.161399 1.240170 ESP Fit Center 3243 is at -1.878188 6.036612 1.240170 ESP Fit Center 3244 is at -2.260683 5.864465 1.240170 ESP Fit Center 3245 is at -2.619639 5.647468 1.240170 ESP Fit Center 3246 is at -2.949821 5.388787 1.240170 ESP Fit Center 3247 is at -3.246416 5.092192 1.240170 ESP Fit Center 3248 is at -3.505098 4.762009 1.240170 ESP Fit Center 3249 is at -3.722094 4.403053 1.240170 ESP Fit Center 3250 is at -3.894241 4.020558 1.240170 ESP Fit Center 3251 is at -4.019028 3.620102 1.240170 ESP Fit Center 3252 is at -4.094636 3.207525 1.240170 ESP Fit Center 3253 is at -4.119962 2.788842 1.240170 ESP Fit Center 3254 is at 2.844556 3.616230 0.843620 ESP Fit Center 3255 is at 2.724897 4.015919 0.843620 ESP Fit Center 3256 is at 2.559646 4.399014 0.843620 ESP Fit Center 3257 is at 2.351038 4.760334 0.843620 ESP Fit Center 3258 is at 2.101893 5.094993 0.843620 ESP Fit Center 3259 is at 1.815582 5.398465 0.843620 ESP Fit Center 3260 is at 1.495976 5.666647 0.843620 ESP Fit Center 3261 is at 1.147396 5.895911 0.843620 ESP Fit Center 3262 is at 0.774558 6.083157 0.843620 ESP Fit Center 3263 is at 0.382503 6.225854 0.843620 ESP Fit Center 3264 is at -0.023467 6.322071 0.843620 ESP Fit Center 3265 is at -0.437863 6.370506 0.843620 ESP Fit Center 3266 is at -0.855079 6.370506 0.843620 ESP Fit Center 3267 is at -1.269475 6.322071 0.843620 ESP Fit Center 3268 is at -1.675445 6.225854 0.843620 ESP Fit Center 3269 is at -2.067500 6.083157 0.843620 ESP Fit Center 3270 is at -2.440338 5.895911 0.843620 ESP Fit Center 3271 is at -2.788918 5.666647 0.843620 ESP Fit Center 3272 is at -3.108524 5.398465 0.843620 ESP Fit Center 3273 is at -3.394835 5.094993 0.843620 ESP Fit Center 3274 is at -3.643980 4.760334 0.843620 ESP Fit Center 3275 is at -3.852588 4.399014 0.843620 ESP Fit Center 3276 is at -4.017839 4.015919 0.843620 ESP Fit Center 3277 is at -4.137498 3.616230 0.843620 ESP Fit Center 3278 is at -4.209947 3.205352 0.843620 ESP Fit Center 3279 is at -4.234206 2.788842 0.843620 ESP Fit Center 3280 is at 2.915355 3.617109 0.436772 ESP Fit Center 3281 is at 2.797723 4.017727 0.436772 ESP Fit Center 3282 is at 2.635190 4.402326 0.436772 ESP Fit Center 3283 is at 2.429876 4.765890 0.436772 ESP Fit Center 3284 is at 2.184457 5.103680 0.436772 ESP Fit Center 3285 is at 1.902133 5.411293 0.436772 ESP Fit Center 3286 is at 1.586583 5.684718 0.436772 ESP Fit Center 3287 is at 1.241923 5.920391 0.436772 ESP Fit Center 3288 is at 0.872644 6.115239 0.436772 ESP Fit Center 3289 is at 0.483561 6.266723 0.436772 ESP Fit Center 3290 is at 0.079747 6.372867 0.436772 ESP Fit Center 3291 is at -0.333535 6.432288 0.436772 ESP Fit Center 3292 is at -0.750896 6.444211 0.436772 ESP Fit Center 3293 is at -1.166897 6.408481 0.436772 ESP Fit Center 3294 is at -1.576112 6.325563 0.436772 ESP Fit Center 3295 is at -1.973208 6.196539 0.436772 ESP Fit Center 3296 is at -2.353008 6.023090 0.436772 ESP Fit Center 3297 is at -2.710561 5.807477 0.436772 ESP Fit Center 3298 is at -3.041206 5.552513 0.436772 ESP Fit Center 3299 is at -3.340631 5.261519 0.436772 ESP Fit Center 3300 is at -3.604934 4.938290 0.436772 ESP Fit Center 3301 is at -3.830668 4.587040 0.436772 ESP Fit Center 3302 is at -4.014892 4.212348 0.436772 ESP Fit Center 3303 is at -4.155203 3.819098 0.436772 ESP Fit Center 3304 is at -4.249773 3.412418 0.436772 ESP Fit Center 3305 is at -4.297368 2.997607 0.436772 ESP Fit Center 3306 is at 2.941264 3.607719 0.024743 ESP Fit Center 3307 is at 2.827020 4.004269 0.024743 ESP Fit Center 3308 is at 2.669094 4.385534 0.024743 ESP Fit Center 3309 is at 2.469474 4.746720 0.024743 ESP Fit Center 3310 is at 2.230669 5.083284 0.024743 ESP Fit Center 3311 is at 1.955682 5.390995 0.024743 ESP Fit Center 3312 is at 1.647972 5.665981 0.024743 ESP Fit Center 3313 is at 1.311407 5.904787 0.024743 ESP Fit Center 3314 is at 0.950221 6.104407 0.024743 ESP Fit Center 3315 is at 0.568956 6.262332 0.024743 ESP Fit Center 3316 is at 0.172406 6.376576 0.024743 ESP Fit Center 3317 is at -0.234442 6.445703 0.024743 ESP Fit Center 3318 is at -0.646471 6.468842 0.024743 ESP Fit Center 3319 is at -1.058500 6.445703 0.024743 ESP Fit Center 3320 is at -1.465348 6.376576 0.024743 ESP Fit Center 3321 is at -1.861898 6.262332 0.024743 ESP Fit Center 3322 is at -2.243163 6.104407 0.024743 ESP Fit Center 3323 is at -2.604349 5.904787 0.024743 ESP Fit Center 3324 is at -2.940913 5.665981 0.024743 ESP Fit Center 3325 is at -3.248624 5.390995 0.024743 ESP Fit Center 3326 is at -3.523611 5.083284 0.024743 ESP Fit Center 3327 is at -3.762416 4.746720 0.024743 ESP Fit Center 3328 is at -3.962036 4.385534 0.024743 ESP Fit Center 3329 is at -4.119962 4.004269 0.024743 ESP Fit Center 3330 is at -4.234206 3.607719 0.024743 ESP Fit Center 3331 is at -4.303332 3.200871 0.024743 ESP Fit Center 3332 is at 2.915355 3.617109 -0.387287 ESP Fit Center 3333 is at 2.797723 4.017727 -0.387287 ESP Fit Center 3334 is at 2.635190 4.402326 -0.387287 ESP Fit Center 3335 is at 2.429876 4.765890 -0.387287 ESP Fit Center 3336 is at 2.184457 5.103680 -0.387287 ESP Fit Center 3337 is at 1.902133 5.411293 -0.387287 ESP Fit Center 3338 is at 1.586583 5.684718 -0.387287 ESP Fit Center 3339 is at 1.241923 5.920391 -0.387287 ESP Fit Center 3340 is at 0.872644 6.115239 -0.387287 ESP Fit Center 3341 is at 0.483561 6.266723 -0.387287 ESP Fit Center 3342 is at 0.079747 6.372867 -0.387287 ESP Fit Center 3343 is at -0.333535 6.432288 -0.387287 ESP Fit Center 3344 is at -0.750896 6.444211 -0.387287 ESP Fit Center 3345 is at -1.166897 6.408481 -0.387287 ESP Fit Center 3346 is at -1.576112 6.325563 -0.387287 ESP Fit Center 3347 is at -1.973208 6.196539 -0.387287 ESP Fit Center 3348 is at -2.353008 6.023090 -0.387287 ESP Fit Center 3349 is at -2.710561 5.807477 -0.387287 ESP Fit Center 3350 is at -3.041206 5.552513 -0.387287 ESP Fit Center 3351 is at -3.340631 5.261519 -0.387287 ESP Fit Center 3352 is at -3.604934 4.938290 -0.387287 ESP Fit Center 3353 is at -3.830668 4.587040 -0.387287 ESP Fit Center 3354 is at -4.014892 4.212348 -0.387287 ESP Fit Center 3355 is at -4.155203 3.819098 -0.387287 ESP Fit Center 3356 is at -4.249773 3.412418 -0.387287 ESP Fit Center 3357 is at -4.297368 2.997607 -0.387287 ESP Fit Center 3358 is at 2.844556 3.616230 -0.794134 ESP Fit Center 3359 is at 2.724897 4.015919 -0.794134 ESP Fit Center 3360 is at 2.559646 4.399014 -0.794134 ESP Fit Center 3361 is at 2.351038 4.760334 -0.794134 ESP Fit Center 3362 is at 2.101893 5.094993 -0.794134 ESP Fit Center 3363 is at 1.815582 5.398465 -0.794134 ESP Fit Center 3364 is at 1.495976 5.666647 -0.794134 ESP Fit Center 3365 is at 1.147396 5.895911 -0.794134 ESP Fit Center 3366 is at 0.774558 6.083157 -0.794134 ESP Fit Center 3367 is at 0.382503 6.225854 -0.794134 ESP Fit Center 3368 is at -0.023467 6.322071 -0.794134 ESP Fit Center 3369 is at -0.437863 6.370506 -0.794134 ESP Fit Center 3370 is at -0.855079 6.370506 -0.794134 ESP Fit Center 3371 is at -1.269475 6.322071 -0.794134 ESP Fit Center 3372 is at -1.675445 6.225854 -0.794134 ESP Fit Center 3373 is at -2.067500 6.083157 -0.794134 ESP Fit Center 3374 is at -2.440338 5.895911 -0.794134 ESP Fit Center 3375 is at -2.788918 5.666647 -0.794134 ESP Fit Center 3376 is at -3.108524 5.398465 -0.794134 ESP Fit Center 3377 is at -3.394835 5.094993 -0.794134 ESP Fit Center 3378 is at -3.643980 4.760334 -0.794134 ESP Fit Center 3379 is at -3.852588 4.399014 -0.794134 ESP Fit Center 3380 is at -4.017839 4.015919 -0.794134 ESP Fit Center 3381 is at -4.137498 3.616230 -0.794134 ESP Fit Center 3382 is at -4.209947 3.205352 -0.794134 ESP Fit Center 3383 is at 2.801694 3.207525 -1.190684 ESP Fit Center 3384 is at 2.726086 3.620102 -1.190684 ESP Fit Center 3385 is at 2.601299 4.020558 -1.190684 ESP Fit Center 3386 is at 2.429152 4.403053 -1.190684 ESP Fit Center 3387 is at 2.212156 4.762009 -1.190684 ESP Fit Center 3388 is at 1.953474 5.092192 -1.190684 ESP Fit Center 3389 is at 1.656879 5.388787 -1.190684 ESP Fit Center 3390 is at 1.326697 5.647468 -1.190684 ESP Fit Center 3391 is at 0.967741 5.864465 -1.190684 ESP Fit Center 3392 is at 0.585246 6.036612 -1.190684 ESP Fit Center 3393 is at 0.184790 6.161399 -1.190684 ESP Fit Center 3394 is at -0.227788 6.237007 -1.190684 ESP Fit Center 3395 is at -0.646471 6.262332 -1.190684 ESP Fit Center 3396 is at -1.065154 6.237007 -1.190684 ESP Fit Center 3397 is at -1.477732 6.161399 -1.190684 ESP Fit Center 3398 is at -1.878188 6.036612 -1.190684 ESP Fit Center 3399 is at -2.260683 5.864465 -1.190684 ESP Fit Center 3400 is at -2.619639 5.647468 -1.190684 ESP Fit Center 3401 is at -2.949821 5.388787 -1.190684 ESP Fit Center 3402 is at -3.246416 5.092192 -1.190684 ESP Fit Center 3403 is at -3.505098 4.762009 -1.190684 ESP Fit Center 3404 is at -3.722094 4.403053 -1.190684 ESP Fit Center 3405 is at -3.894241 4.020558 -1.190684 ESP Fit Center 3406 is at -4.019028 3.620102 -1.190684 ESP Fit Center 3407 is at -4.094636 3.207525 -1.190684 ESP Fit Center 3408 is at -4.119962 2.788842 -1.190684 ESP Fit Center 3409 is at 2.669094 2.788842 -1.571950 ESP Fit Center 3410 is at 2.642950 3.204392 -1.571950 ESP Fit Center 3411 is at 2.564930 3.613389 -1.571950 ESP Fit Center 3412 is at 2.436264 4.009383 -1.571950 ESP Fit Center 3413 is at 2.258981 4.386127 -1.571950 ESP Fit Center 3414 is at 2.035878 4.737682 -1.571950 ESP Fit Center 3415 is at 1.770472 5.058502 -1.571950 ESP Fit Center 3416 is at 1.466950 5.343529 -1.571950 ESP Fit Center 3417 is at 1.130098 5.588266 -1.571950 ESP Fit Center 3418 is at 0.765228 5.788855 -1.571950 ESP Fit Center 3419 is at 0.378095 5.942132 -1.571950 ESP Fit Center 3420 is at -0.025196 6.045679 -1.571950 ESP Fit Center 3421 is at -0.438285 6.097864 -1.571950 ESP Fit Center 3422 is at -0.854657 6.097864 -1.571950 ESP Fit Center 3423 is at -1.267746 6.045679 -1.571950 ESP Fit Center 3424 is at -1.671037 5.942132 -1.571950 ESP Fit Center 3425 is at -2.058170 5.788855 -1.571950 ESP Fit Center 3426 is at -2.423040 5.588266 -1.571950 ESP Fit Center 3427 is at -2.759892 5.343529 -1.571950 ESP Fit Center 3428 is at -3.063414 5.058502 -1.571950 ESP Fit Center 3429 is at -3.328820 4.737682 -1.571950 ESP Fit Center 3430 is at -3.551923 4.386127 -1.571950 ESP Fit Center 3431 is at -3.729206 4.009383 -1.571950 ESP Fit Center 3432 is at -3.857872 3.613389 -1.571950 ESP Fit Center 3433 is at -3.935892 3.204392 -1.571950 ESP Fit Center 3434 is at -3.962036 2.788842 -1.571950 ESP Fit Center 3435 is at -3.935892 2.373291 -1.571950 ESP Fit Center 3436 is at 2.642950 2.373291 -1.571950 ESP Fit Center 3437 is at 2.469474 2.788842 -1.933135 ESP Fit Center 3438 is at 2.441672 3.204156 -1.933135 ESP Fit Center 3439 is at 2.358762 3.612060 -1.933135 ESP Fit Center 3440 is at 2.222224 4.005273 -1.933135 ESP Fit Center 3441 is at 2.034493 4.376779 -1.933135 ESP Fit Center 3442 is at 1.798921 4.719948 -1.933135 ESP Fit Center 3443 is at 1.519710 5.028657 -1.933135 ESP Fit Center 3444 is at 1.201845 5.297396 -1.933135 ESP Fit Center 3445 is at 0.850995 5.521369 -1.933135 ESP Fit Center 3446 is at 0.473424 5.696581 -1.933135 ESP Fit Center 3447 is at 0.075868 5.819904 -1.933135 ESP Fit Center 3448 is at -0.334578 5.889138 -1.933135 ESP Fit Center 3449 is at -0.750590 5.903047 -1.933135 ESP Fit Center 3450 is at -1.164744 5.861382 -1.933135 ESP Fit Center 3451 is at -1.569649 5.764888 -1.933135 ESP Fit Center 3452 is at -1.958081 5.615287 -1.933135 ESP Fit Center 3453 is at -2.323106 5.415248 -1.933135 ESP Fit Center 3454 is at -2.658212 5.168340 -1.933135 ESP Fit Center 3455 is at -2.957418 4.878970 -1.933135 ESP Fit Center 3456 is at -3.215386 4.552302 -1.933135 ESP Fit Center 3457 is at -3.427511 4.194164 -1.933135 ESP Fit Center 3458 is at -3.590008 3.810949 -1.933135 ESP Fit Center 3459 is at -3.699978 3.409494 -1.933135 ESP Fit Center 3460 is at -3.755458 2.996964 -1.933135 ESP Fit Center 3461 is at -3.755458 2.580719 -1.933135 ESP Fit Center 3462 is at -3.699978 2.168189 -1.933135 ESP Fit Center 3463 is at -3.590008 1.766734 -1.933135 ESP Fit Center 3464 is at 2.034493 1.200904 -1.933135 ESP Fit Center 3465 is at 2.222224 1.572410 -1.933135 ESP Fit Center 3466 is at 2.358762 1.965623 -1.933135 ESP Fit Center 3467 is at 2.441672 2.373527 -1.933135 ESP Fit Center 3468 is at 2.230669 2.788842 -2.269700 ESP Fit Center 3469 is at 2.200008 3.207756 -2.269700 ESP Fit Center 3470 is at 2.108680 3.617743 -2.269700 ESP Fit Center 3471 is at 1.958630 4.010063 -2.269700 ESP Fit Center 3472 is at 1.753057 4.376355 -2.269700 ESP Fit Center 3473 is at 1.496343 4.708811 -2.269700 ESP Fit Center 3474 is at 1.193958 5.000347 -2.269700 ESP Fit Center 3475 is at 0.852347 5.244748 -2.269700 ESP Fit Center 3476 is at 0.478792 5.436806 -2.269700 ESP Fit Center 3477 is at 0.081254 5.572427 -2.269700 ESP Fit Center 3478 is at -0.331795 5.648721 -2.269700 ESP Fit Center 3479 is at -0.751550 5.664062 -2.269700 ESP Fit Center 3480 is at -1.169066 5.618122 -2.269700 ESP Fit Center 3481 is at -1.575443 5.511881 -2.269700 ESP Fit Center 3482 is at -1.962021 5.347603 -2.269700 ESP Fit Center 3483 is at -2.320560 5.128790 -2.269700 ESP Fit Center 3484 is at -2.643419 4.860105 -2.269700 ESP Fit Center 3485 is at -2.923717 4.547274 -2.269700 ESP Fit Center 3486 is at -3.155479 4.196965 -2.269700 ESP Fit Center 3487 is at -3.333766 3.816645 -2.269700 ESP Fit Center 3488 is at -3.454778 3.414419 -2.269700 ESP Fit Center 3489 is at -3.515935 2.998859 -2.269700 ESP Fit Center 3490 is at -3.515935 2.578824 -2.269700 ESP Fit Center 3491 is at -3.454778 2.163265 -2.269700 ESP Fit Center 3492 is at -3.333766 1.761038 -2.269700 ESP Fit Center 3493 is at -3.155479 1.380718 -2.269700 ESP Fit Center 3494 is at 1.496343 0.868872 -2.269700 ESP Fit Center 3495 is at 1.753057 1.201329 -2.269700 ESP Fit Center 3496 is at 1.958630 1.567620 -2.269700 ESP Fit Center 3497 is at 2.108680 1.959940 -2.269700 ESP Fit Center 3498 is at 2.200008 2.369927 -2.269700 ESP Fit Center 3499 is at 1.955682 2.788842 -2.577410 ESP Fit Center 3500 is at 1.921985 3.206256 -2.577410 ESP Fit Center 3501 is at 1.821766 3.612860 -2.577410 ESP Fit Center 3502 is at 1.657621 3.998122 -2.577410 ESP Fit Center 3503 is at 1.433801 4.352065 -2.577410 ESP Fit Center 3504 is at 1.156104 4.665521 -2.577410 ESP Fit Center 3505 is at 0.831720 4.930371 -2.577410 ESP Fit Center 3506 is at 0.469053 5.139758 -2.577410 ESP Fit Center 3507 is at 0.077493 5.288257 -2.577410 ESP Fit Center 3508 is at -0.332816 5.372022 -2.577410 ESP Fit Center 3509 is at -0.751249 5.388884 -2.577410 ESP Fit Center 3510 is at -1.166968 5.338407 -2.577410 ESP Fit Center 3511 is at -1.569207 5.221897 -2.577410 ESP Fit Center 3512 is at -1.947547 5.042372 -2.577410 ESP Fit Center 3513 is at -2.292191 4.804482 -2.577410 ESP Fit Center 3514 is at -2.594210 4.514388 -2.577410 ESP Fit Center 3515 is at -2.845785 4.179603 -2.577410 ESP Fit Center 3516 is at -3.040398 3.808799 -2.577410 ESP Fit Center 3517 is at -3.173010 3.411578 -2.577410 ESP Fit Center 3518 is at -3.240186 2.998228 -2.577410 ESP Fit Center 3519 is at -3.240186 2.579455 -2.577410 ESP Fit Center 3520 is at -3.173010 2.166106 -2.577410 ESP Fit Center 3521 is at -3.040398 1.768884 -2.577410 ESP Fit Center 3522 is at -2.845785 1.398080 -2.577410 ESP Fit Center 3523 is at -2.594210 1.063295 -2.577410 ESP Fit Center 3524 is at -2.292191 0.773201 -2.577410 ESP Fit Center 3525 is at -1.947547 0.535311 -2.577410 ESP Fit Center 3526 is at -1.569207 0.355786 -2.577410 ESP Fit Center 3527 is at -1.166968 0.239276 -2.577410 ESP Fit Center 3528 is at -0.751249 0.188799 -2.577410 ESP Fit Center 3529 is at -0.332816 0.205661 -2.577410 ESP Fit Center 3530 is at 0.077493 0.289427 -2.577410 ESP Fit Center 3531 is at 0.469053 0.437925 -2.577410 ESP Fit Center 3532 is at 0.831720 0.647312 -2.577410 ESP Fit Center 3533 is at 1.156104 0.912162 -2.577410 ESP Fit Center 3534 is at 1.433801 1.225618 -2.577410 ESP Fit Center 3535 is at 1.657621 1.579561 -2.577410 ESP Fit Center 3536 is at 1.821766 1.964823 -2.577410 ESP Fit Center 3537 is at 1.921985 2.371427 -2.577410 ESP Fit Center 3538 is at 1.647972 2.788842 -2.852397 ESP Fit Center 3539 is at 1.608904 3.210444 -2.852397 ESP Fit Center 3540 is at 1.493033 3.617690 -2.852397 ESP Fit Center 3541 is at 1.304303 3.996710 -2.852397 ESP Fit Center 3542 is at 1.049143 4.334597 -2.852397 ESP Fit Center 3543 is at 0.736240 4.619846 -2.852397 ESP Fit Center 3544 is at 0.376250 4.842742 -2.852397 ESP Fit Center 3545 is at -0.018567 4.995695 -2.852397 ESP Fit Center 3546 is at -0.434766 5.073496 -2.852397 ESP Fit Center 3547 is at -0.858175 5.073496 -2.852397 ESP Fit Center 3548 is at -1.274375 4.995695 -2.852397 ESP Fit Center 3549 is at -1.669192 4.842742 -2.852397 ESP Fit Center 3550 is at -2.029181 4.619846 -2.852397 ESP Fit Center 3551 is at -2.342084 4.334597 -2.852397 ESP Fit Center 3552 is at -2.597245 3.996710 -2.852397 ESP Fit Center 3553 is at -2.785975 3.617690 -2.852397 ESP Fit Center 3554 is at -2.901846 3.210444 -2.852397 ESP Fit Center 3555 is at -2.940913 2.788842 -2.852397 ESP Fit Center 3556 is at -2.901846 2.367239 -2.852397 ESP Fit Center 3557 is at -2.785975 1.959993 -2.852397 ESP Fit Center 3558 is at -2.597245 1.580973 -2.852397 ESP Fit Center 3559 is at -2.342084 1.243086 -2.852397 ESP Fit Center 3560 is at -2.029181 0.957837 -2.852397 ESP Fit Center 3561 is at -1.669192 0.734941 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Center 3580 is at -0.963220 4.720928 -3.091202 ESP Fit Center 3581 is at -1.371156 4.607665 -3.091202 ESP Fit Center 3582 is at -1.745207 4.409356 -3.091202 ESP Fit Center 3583 is at -2.067882 4.135273 -3.091202 ESP Fit Center 3584 is at -2.324093 3.798233 -3.091202 ESP Fit Center 3585 is at -2.501860 3.413995 -3.091202 ESP Fit Center 3586 is at -2.592872 3.000525 -3.091202 ESP Fit Center 3587 is at -2.592872 2.577158 -3.091202 ESP Fit Center 3588 is at -2.501860 2.163688 -3.091202 ESP Fit Center 3589 is at -2.324093 1.779450 -3.091202 ESP Fit Center 3590 is at -2.067882 1.442410 -3.091202 ESP Fit Center 3591 is at -1.745207 1.168327 -3.091202 ESP Fit Center 3592 is at -1.371156 0.970018 -3.091202 ESP Fit Center 3593 is at -0.963220 0.856756 -3.091202 ESP Fit Center 3594 is at -0.540474 0.833835 -3.091202 ESP Fit Center 3595 is at -0.122683 0.902328 -3.091202 ESP Fit Center 3596 is at 0.270616 1.059033 -3.091202 ESP Fit Center 3597 is at 0.621032 1.296621 -3.091202 ESP Fit Center 3598 is at 0.912182 1.603984 -3.091202 ESP Fit Center 3599 is at 1.130451 1.966750 -3.091202 ESP Fit Center 3600 is at 1.265633 2.367956 -3.091202 ESP Fit Center 3601 is at 0.950221 2.788842 -3.290823 ESP Fit Center 3602 is at 0.895815 3.202096 -3.290823 ESP Fit Center 3603 is at 0.736305 3.587188 -3.290823 ESP Fit Center 3604 is at 0.482561 3.917873 -3.290823 ESP Fit Center 3605 is at 0.151875 4.171618 -3.290823 ESP Fit Center 3606 is at -0.233217 4.331128 -3.290823 ESP Fit Center 3607 is at -0.646471 4.385534 -3.290823 ESP Fit Center 3608 is at -1.059725 4.331128 -3.290823 ESP Fit Center 3609 is at -1.444817 4.171618 -3.290823 ESP Fit Center 3610 is at -1.775503 3.917873 -3.290823 ESP Fit Center 3611 is at -2.029247 3.587188 -3.290823 ESP Fit Center 3612 is at -2.188757 3.202096 -3.290823 ESP Fit Center 3613 is at -2.243163 2.788842 -3.290823 ESP Fit Center 3614 is at -2.188757 2.375587 -3.290823 ESP Fit Center 3615 is at -2.029247 1.990495 -3.290823 ESP Fit Center 3616 is at -1.775503 1.659810 -3.290823 ESP Fit Center 3617 is at -1.444817 1.406066 -3.290823 ESP Fit Center 3618 is at -1.059725 1.246555 -3.290823 ESP Fit Center 3619 is at -0.646471 1.192149 -3.290823 ESP Fit Center 3620 is at -0.233217 1.246555 -3.290823 ESP Fit Center 3621 is at 0.151875 1.406066 -3.290823 ESP Fit Center 3622 is at 0.482561 1.659810 -3.290823 ESP Fit Center 3623 is at 0.736305 1.990495 -3.290823 ESP Fit Center 3624 is at 0.895815 2.375587 -3.290823 ESP Fit Center 3625 is at 0.568956 2.788842 -3.448748 ESP Fit Center 3626 is at 0.495657 3.204542 -3.448748 ESP Fit Center 3627 is at 0.284600 3.570103 -3.448748 ESP Fit Center 3628 is at -0.038757 3.841432 -3.448748 ESP Fit Center 3629 is at -0.435414 3.985803 -3.448748 ESP Fit Center 3630 is at -0.857528 3.985803 -3.448748 ESP Fit Center 3631 is at -1.254184 3.841432 -3.448748 ESP Fit Center 3632 is at -1.577542 3.570103 -3.448748 ESP Fit Center 3633 is at -1.788599 3.204542 -3.448748 ESP Fit Center 3634 is at -1.861898 2.788842 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Fit Center 3653 is at -0.237032 2.079673 -3.562992 ESP Fit Center 3654 is at 0.062697 2.379403 -3.562992 ESP Fit Center 3655 is at -0.234442 2.788842 -3.632118 ESP Fit Center 3656 is at -0.440456 3.145669 -3.632118 ESP Fit Center 3657 is at -0.852486 3.145669 -3.632118 ESP Fit Center 3658 is at -1.058500 2.788842 -3.632118 ESP Fit Center 3659 is at -0.852486 2.432014 -3.632118 ESP Fit Center 3660 is at -0.440456 2.432014 -3.632118 ESP Fit Center 3661 is at -0.646471 2.788842 -3.655257 ESP Fit Center 3662 is at -4.777258 -0.149064 3.703274 ESP Fit Center 3663 is at -4.350018 -0.149064 3.655135 ESP Fit Center 3664 is at -4.563638 0.220936 3.655135 ESP Fit Center 3665 is at -4.990878 0.220936 3.655135 ESP Fit Center 3666 is at -5.204498 -0.149064 3.655135 ESP Fit Center 3667 is at -4.990878 -0.519065 3.655135 ESP Fit Center 3668 is at -4.563638 -0.519065 3.655135 ESP Fit Center 3669 is at -3.944201 -0.149064 3.513134 ESP Fit Center 3670 is at -4.055809 0.267464 3.513134 ESP Fit Center 3671 is at -4.360729 0.572384 3.513134 ESP Fit Center 3672 is at -4.777258 0.683992 3.513134 ESP Fit Center 3673 is at -5.193786 0.572384 3.513134 ESP Fit Center 3674 is at -5.498706 0.267464 3.513134 ESP Fit Center 3675 is at -5.610315 -0.149064 3.513134 ESP Fit Center 3676 is at -4.055809 -0.565593 3.513134 ESP Fit Center 3677 is at -3.580157 -0.149064 3.284390 ESP Fit Center 3678 is at -3.652351 0.260368 3.284390 ESP Fit Center 3679 is at -3.860226 0.620417 3.284390 ESP Fit Center 3680 is at -4.178708 0.887655 3.284390 ESP Fit Center 3681 is at -4.569383 1.029849 3.284390 ESP Fit Center 3682 is at -4.985132 1.029849 3.284390 ESP Fit Center 3683 is at -5.375808 0.887655 3.284390 ESP Fit Center 3684 is at -5.694290 0.620417 3.284390 ESP Fit Center 3685 is at -5.902164 0.260368 3.284390 ESP Fit Center 3686 is at -5.974358 -0.149064 3.284390 ESP Fit Center 3687 is at -3.652351 -0.558497 3.284390 ESP Fit Center 3688 is at -3.276141 -0.149064 2.980374 ESP Fit Center 3689 is at -3.336947 0.273849 2.980374 ESP Fit Center 3690 is at -3.514438 0.662500 2.980374 ESP Fit Center 3691 is at -3.794236 0.985404 2.980374 ESP Fit Center 3692 is at -4.153671 1.216399 2.980374 ESP Fit Center 3693 is at -4.563627 1.336773 2.980374 ESP Fit Center 3694 is at -4.990889 1.336773 2.980374 ESP Fit Center 3695 is at -5.400844 1.216399 2.980374 ESP Fit Center 3696 is at -5.760280 0.985404 2.980374 ESP Fit Center 3697 is at -6.040077 0.662500 2.980374 ESP Fit Center 3698 is at -6.217568 0.273849 2.980374 ESP Fit Center 3699 is at -3.047398 -0.149064 2.616330 ESP Fit Center 3700 is at -3.097664 0.264918 2.616330 ESP Fit Center 3701 is at -3.245543 0.654842 2.616330 ESP Fit Center 3702 is at -3.482439 0.998045 2.616330 ESP Fit Center 3703 is at -3.794585 1.274583 2.616330 ESP Fit Center 3704 is at -4.163841 1.468383 2.616330 ESP Fit Center 3705 is at -4.568746 1.568183 2.616330 ESP Fit Center 3706 is at -4.985769 1.568183 2.616330 ESP Fit Center 3707 is at -5.390675 1.468383 2.616330 ESP Fit Center 3708 is at -5.759930 1.274583 2.616330 ESP Fit Center 3709 is at -6.072077 0.998045 2.616330 ESP Fit Center 3710 is at -6.308973 0.654842 2.616330 ESP Fit Center 3711 is at -6.456851 0.264918 2.616330 ESP Fit Center 3712 is at -2.905396 -0.149064 2.210514 ESP Fit Center 3713 is at -3.313777 1.018022 2.210514 ESP Fit Center 3714 is at -3.610171 1.314416 2.210514 ESP Fit Center 3715 is at -3.965087 1.537425 2.210514 ESP Fit Center 3716 is at -4.360729 1.675866 2.210514 ESP Fit Center 3717 is at -4.777258 1.722797 2.210514 ESP Fit Center 3718 is at -5.193786 1.675866 2.210514 ESP Fit Center 3719 is at -5.589428 1.537425 2.210514 ESP Fit Center 3720 is at -5.944344 1.314416 2.210514 ESP Fit Center 3721 is at -6.240738 1.018022 2.210514 ESP Fit Center 3722 is at -6.463747 0.663106 2.210514 ESP Fit Center 3723 is at -3.877914 1.547279 1.783274 ESP Fit Center 3724 is at -4.263603 1.700952 1.783274 ESP Fit Center 3725 is at -4.673311 1.768120 1.783274 ESP Fit Center 3726 is at -5.087879 1.745642 1.783274 ESP Fit Center 3727 is at -5.487923 1.634571 1.783274 ESP Fit Center 3728 is at -5.854737 1.440098 1.783274 ESP Fit Center 3729 is at -6.171169 1.171318 1.783274 ESP Fit Center 3730 is at -6.422424 0.840799 1.783274 ESP Fit Center 3731 is at -4.777258 1.722797 1.356033 ESP Fit Center 3732 is at -5.193786 1.675866 1.356033 ESP Fit Center 3733 is at -5.589428 1.537425 1.356033 ESP Fit Center 3734 is at -5.944344 1.314416 1.356033 ESP Fit Center 3735 is at -6.240738 1.018022 1.356033 ESP Fit Center 3736 is at -4.985769 1.568183 0.950217 ESP Fit Center 3737 is at -5.390675 1.468383 0.950217 ESP Fit Center 3738 is at -5.759930 1.274583 0.950217 ESP Fit Center 3739 is at -6.072077 0.998045 0.950217 ESP Fit Center 3740 is at -6.694462 0.808205 0.663739 ESP Fit Center 3741 is at -7.012944 0.540967 0.663739 ESP Fit Center 3742 is at -7.220818 0.180918 0.663739 ESP Fit Center 3743 is at -6.719498 1.136949 0.359723 ESP Fit Center 3744 is at -7.078934 0.905954 0.359723 ESP Fit Center 3745 is at -7.358731 0.583050 0.359723 ESP Fit Center 3746 is at -7.536222 0.194399 0.359723 ESP Fit Center 3747 is at -7.597028 -0.228515 0.359723 ESP Fit Center 3748 is at -6.709329 1.388933 -0.004321 ESP Fit Center 3749 is at -7.078584 1.195132 -0.004321 ESP Fit Center 3750 is at -7.390731 0.918595 -0.004321 ESP Fit Center 3751 is at -7.627627 0.575392 -0.004321 ESP Fit Center 3752 is at -7.775505 0.185468 -0.004321 ESP Fit Center 3753 is at -7.825772 -0.228515 -0.004321 ESP Fit Center 3754 is at -7.775505 -0.642497 -0.004321 ESP Fit Center 3755 is at -7.627627 -1.032421 -0.004321 ESP Fit Center 3756 is at -6.908082 1.457974 -0.410137 ESP Fit Center 3757 is at -7.262998 1.234966 -0.410137 ESP Fit Center 3758 is at -7.559392 0.938572 -0.410137 ESP Fit Center 3759 is at -7.782401 0.583656 -0.410137 ESP Fit Center 3760 is at -7.920842 0.188014 -0.410137 ESP Fit Center 3761 is at -7.967773 -0.228515 -0.410137 ESP Fit Center 3762 is at -7.920842 -0.645043 -0.410137 ESP Fit Center 3763 is at -7.782401 -1.040685 -0.410137 ESP Fit Center 3764 is at -7.559392 -1.395601 -0.410137 ESP Fit Center 3765 is at -7.262998 -1.691995 -0.410137 ESP Fit Center 3766 is at -6.908082 -1.915004 -0.410137 ESP Fit Center 3767 is at -6.806577 1.555121 -0.837378 ESP Fit Center 3768 is at -7.173391 1.360648 -0.837378 ESP Fit Center 3769 is at -7.489823 1.091868 -0.837378 ESP Fit Center 3770 is at -7.741077 0.761349 -0.837378 ESP Fit Center 3771 is at -7.915406 0.384544 -0.837378 ESP Fit Center 3772 is at -8.004657 -0.020926 -0.837378 ESP Fit Center 3773 is at -8.004657 -0.436103 -0.837378 ESP Fit Center 3774 is at -7.915406 -0.841574 -0.837378 ESP Fit Center 3775 is at -7.741077 -1.218378 -0.837378 ESP Fit Center 3776 is at -7.489823 -1.548898 -0.837378 ESP Fit Center 3777 is at -7.173391 -1.817677 -0.837378 ESP Fit Center 3778 is at -6.806577 -2.012150 -0.837378 ESP Fit Center 3779 is at -6.908082 1.457974 -1.264618 ESP Fit Center 3780 is at -7.262998 1.234966 -1.264618 ESP Fit Center 3781 is at -7.559392 0.938572 -1.264618 ESP Fit Center 3782 is at -7.782401 0.583656 -1.264618 ESP Fit Center 3783 is at -7.920842 0.188014 -1.264618 ESP Fit Center 3784 is at -7.967773 -0.228515 -1.264618 ESP Fit Center 3785 is at -7.920842 -0.645043 -1.264618 ESP Fit Center 3786 is at -7.782401 -1.040685 -1.264618 ESP Fit Center 3787 is at -7.559392 -1.395601 -1.264618 ESP Fit Center 3788 is at -7.262998 -1.691995 -1.264618 ESP Fit Center 3789 is at -6.908082 -1.915004 -1.264618 ESP Fit Center 3790 is at -6.512440 -2.053445 -1.264618 ESP Fit Center 3791 is at -6.709329 1.388933 -1.670434 ESP Fit Center 3792 is at -7.078584 1.195132 -1.670434 ESP Fit Center 3793 is at -7.390731 0.918595 -1.670434 ESP Fit Center 3794 is at -7.627627 0.575392 -1.670434 ESP Fit Center 3795 is at -7.775505 0.185468 -1.670434 ESP Fit Center 3796 is at -7.825772 -0.228515 -1.670434 ESP Fit Center 3797 is at -7.775505 -0.642497 -1.670434 ESP Fit Center 3798 is at -7.627627 -1.032421 -1.670434 ESP Fit Center 3799 is at -7.390731 -1.375624 -1.670434 ESP Fit Center 3800 is at -7.078584 -1.652162 -1.670434 ESP Fit Center 3801 is at -6.709329 -1.845962 -1.670434 ESP Fit Center 3802 is at -6.304423 -1.945762 -1.670434 ESP Fit Center 3803 is at -6.719498 1.136949 -2.034478 ESP Fit Center 3804 is at -7.078934 0.905954 -2.034478 ESP Fit Center 3805 is at -7.358731 0.583050 -2.034478 ESP Fit Center 3806 is at -7.536222 0.194399 -2.034478 ESP Fit Center 3807 is at -7.597028 -0.228515 -2.034478 ESP Fit Center 3808 is at -7.536222 -0.651428 -2.034478 ESP Fit Center 3809 is at -7.358731 -1.040079 -2.034478 ESP Fit Center 3810 is at -7.078934 -1.362983 -2.034478 ESP Fit Center 3811 is at -6.719498 -1.593978 -2.034478 ESP Fit Center 3812 is at -6.309543 -1.714352 -2.034478 ESP Fit Center 3813 is at -6.694462 0.808205 -2.338494 ESP Fit Center 3814 is at -7.012944 0.540967 -2.338494 ESP Fit Center 3815 is at -7.220818 0.180918 -2.338494 ESP Fit Center 3816 is at -7.293012 -0.228515 -2.338494 ESP Fit Center 3817 is at -7.220818 -0.637947 -2.338494 ESP Fit Center 3818 is at -7.012944 -0.997996 -2.338494 ESP Fit Center 3819 is at -6.694462 -1.265234 -2.338494 ESP Fit Center 3820 is at -6.303786 -1.407428 -2.338494 ESP Fit Center 3821 is at -6.512440 0.492934 -2.567238 ESP Fit Center 3822 is at -6.817360 0.188014 -2.567238 ESP Fit Center 3823 is at -6.928968 -0.228515 -2.567238 ESP Fit Center 3824 is at -6.817360 -0.645043 -2.567238 ESP Fit Center 3825 is at -6.512440 -0.949963 -2.567238 ESP Fit Center 3826 is at -6.523152 -0.228515 -2.709239 ESP Fit Center 3827 is at -6.309532 -0.598515 -2.709239 ESP Fit Center 3828 is at 1.614437 -2.145021 2.165882 ESP Fit Center 3829 is at 2.026036 -2.145021 2.127741 ESP Fit Center 3830 is at 1.202838 -2.145021 2.127741 ESP Fit Center 3831 is at 1.408637 -2.501476 2.127741 ESP Fit Center 3832 is at 1.820236 -2.501476 2.127741 ESP Fit Center 3833 is at 2.423618 -2.145021 2.014619 ESP Fit Center 3834 is at 0.913665 -1.740430 2.014619 ESP Fit Center 3835 is at 0.805256 -2.145021 2.014619 ESP Fit Center 3836 is at 0.913665 -2.549611 2.014619 ESP Fit Center 3837 is at 1.209846 -2.845792 2.014619 ESP Fit Center 3838 is at 1.614437 -2.954202 2.014619 ESP Fit Center 3839 is at 2.019028 -2.845792 2.014619 ESP Fit Center 3840 is at 2.315208 -2.549611 2.014619 ESP Fit Center 3841 is at 0.455307 -2.361699 1.830368 ESP Fit Center 3842 is at 0.611854 -2.765794 1.830368 ESP Fit Center 3843 is at 0.903805 -3.086049 1.830368 ESP Fit Center 3844 is at 1.291731 -3.279213 1.830368 ESP Fit Center 3845 is at 1.723240 -3.319198 1.830368 ESP Fit Center 3846 is at 2.140055 -3.200604 1.830368 ESP Fit Center 3847 is at 2.485882 -2.939448 1.830368 ESP Fit Center 3848 is at 2.714016 -2.571000 1.830368 ESP Fit Center 3849 is at 0.344919 -2.960890 1.581262 ESP Fit Center 3850 is at 0.626201 -3.285506 1.581262 ESP Fit Center 3851 is at 0.987543 -3.517726 1.581262 ESP Fit Center 3852 is at 1.399673 -3.638739 1.581262 ESP Fit Center 3853 is at 1.829201 -3.638739 1.581262 ESP Fit Center 3854 is at 2.241331 -3.517726 1.581262 ESP Fit Center 3855 is at 2.602673 -3.285506 1.581262 ESP Fit Center 3856 is at 2.883954 -2.960890 1.581262 ESP Fit Center 3857 is at 0.387740 -3.445244 1.275783 ESP Fit Center 3858 is at 0.720658 -3.693092 1.275783 ESP Fit Center 3859 is at 1.101759 -3.857483 1.275783 ESP Fit Center 3860 is at 1.510500 -3.929555 1.275783 ESP Fit Center 3861 is at 1.924843 -3.905422 1.275783 ESP Fit Center 3862 is at 2.322453 -3.786386 1.275783 ESP Fit Center 3863 is at 2.681893 -3.578863 1.275783 ESP Fit Center 3864 is at 0.272719 -3.635149 0.924336 ESP Fit Center 3865 is at 0.611854 -3.881545 0.924336 ESP Fit Center 3866 is at 0.994807 -4.052047 0.924336 ESP Fit Center 3867 is at 1.404840 -4.139202 0.924336 ESP Fit Center 3868 is at 1.824034 -4.139202 0.924336 ESP Fit Center 3869 is at 2.234067 -4.052047 0.924336 ESP Fit Center 3870 is at 2.617020 -3.881545 0.924336 ESP Fit Center 3871 is at 0.090983 -3.668475 0.538887 ESP Fit Center 3872 is at 0.417467 -3.936413 0.538887 ESP Fit Center 3873 is at 0.789949 -4.135509 0.538887 ESP Fit Center 3874 is at 1.194117 -4.258112 0.538887 ESP Fit Center 3875 is at 1.614437 -4.299510 0.538887 ESP Fit Center 3876 is at 2.034757 -4.258112 0.538887 ESP Fit Center 3877 is at 2.438924 -4.135509 0.538887 ESP Fit Center 3878 is at 0.153806 -3.830678 0.132563 ESP Fit Center 3879 is at 0.499215 -4.076642 0.132563 ESP Fit Center 3880 is at 0.884930 -4.252792 0.132563 ESP Fit Center 3881 is at 1.297012 -4.352762 0.132563 ESP Fit Center 3882 is at 1.720566 -4.372939 0.132563 ESP Fit Center 3883 is at 2.140284 -4.312592 0.132563 ESP Fit Center 3884 is at 2.540997 -4.173904 0.132563 ESP Fit Center 3885 is at 0.153806 -3.830678 -0.280799 ESP Fit Center 3886 is at 0.499215 -4.076642 -0.280799 ESP Fit Center 3887 is at 0.884930 -4.252792 -0.280799 ESP Fit Center 3888 is at 1.297012 -4.352762 -0.280799 ESP Fit Center 3889 is at 1.720566 -4.372939 -0.280799 ESP Fit Center 3890 is at 2.140284 -4.312592 -0.280799 ESP Fit Center 3891 is at 2.540997 -4.173904 -0.280799 ESP Fit Center 3892 is at 0.090983 -3.668475 -0.687123 ESP Fit Center 3893 is at 0.417467 -3.936413 -0.687123 ESP Fit Center 3894 is at 0.789949 -4.135509 -0.687123 ESP Fit Center 3895 is at 1.194117 -4.258112 -0.687123 ESP Fit Center 3896 is at 1.614437 -4.299510 -0.687123 ESP Fit Center 3897 is at 2.034757 -4.258112 -0.687123 ESP Fit Center 3898 is at 2.438924 -4.135509 -0.687123 ESP Fit Center 3899 is at 0.272719 -3.635149 -1.072572 ESP Fit Center 3900 is at 0.611854 -3.881545 -1.072572 ESP Fit Center 3901 is at 0.994807 -4.052047 -1.072572 ESP Fit Center 3902 is at 1.404840 -4.139202 -1.072572 ESP Fit Center 3903 is at 1.824034 -4.139202 -1.072572 ESP Fit Center 3904 is at 2.234067 -4.052047 -1.072572 ESP Fit Center 3905 is at 2.617020 -3.881545 -1.072572 ESP Fit Center 3906 is at 0.387740 -3.445244 -1.424020 ESP Fit Center 3907 is at 0.720658 -3.693092 -1.424020 ESP Fit Center 3908 is at 1.101759 -3.857483 -1.424020 ESP Fit Center 3909 is at 1.510500 -3.929555 -1.424020 ESP Fit Center 3910 is at 1.924843 -3.905422 -1.424020 ESP Fit Center 3911 is at 2.322453 -3.786386 -1.424020 ESP Fit Center 3912 is at 2.681893 -3.578863 -1.424020 ESP Fit Center 3913 is at 0.344919 -2.960890 -1.729498 ESP Fit Center 3914 is at 0.626201 -3.285506 -1.729498 ESP Fit Center 3915 is at 0.987543 -3.517726 -1.729498 ESP Fit Center 3916 is at 1.399673 -3.638739 -1.729498 ESP Fit Center 3917 is at 1.829201 -3.638739 -1.729498 ESP Fit Center 3918 is at 2.241331 -3.517726 -1.729498 ESP Fit Center 3919 is at 2.602673 -3.285506 -1.729498 ESP Fit Center 3920 is at 2.883954 -2.960890 -1.729498 ESP Fit Center 3921 is at 2.793645 -2.145021 -1.978605 ESP Fit Center 3922 is at 0.611854 -2.765794 -1.978605 ESP Fit Center 3923 is at 0.903805 -3.086049 -1.978605 ESP Fit Center 3924 is at 1.291731 -3.279213 -1.978605 ESP Fit Center 3925 is at 1.723240 -3.319198 -1.978605 ESP Fit Center 3926 is at 2.140055 -3.200604 -1.978605 ESP Fit Center 3927 is at 2.485882 -2.939448 -1.978605 ESP Fit Center 3928 is at 2.714016 -2.571000 -1.978605 ESP Fit Center 3929 is at 2.423618 -2.145021 -2.162856 ESP Fit Center 3930 is at 0.913665 -1.740430 -2.162856 ESP Fit Center 3931 is at 0.805256 -2.145021 -2.162856 ESP Fit Center 3932 is at 0.913665 -2.549611 -2.162856 ESP Fit Center 3933 is at 1.209846 -2.845792 -2.162856 ESP Fit Center 3934 is at 1.614437 -2.954202 -2.162856 ESP Fit Center 3935 is at 2.019028 -2.845792 -2.162856 ESP Fit Center 3936 is at 2.315208 -2.549611 -2.162856 ESP Fit Center 3937 is at 2.026036 -2.145021 -2.275978 ESP Fit Center 3938 is at 1.408637 -1.788565 -2.275978 ESP Fit Center 3939 is at 1.202838 -2.145021 -2.275978 ESP Fit Center 3940 is at 1.408637 -2.501476 -2.275978 ESP Fit Center 3941 is at 1.820236 -2.501476 -2.275978 ESP Fit Center 3942 is at 1.614437 -2.145021 -2.314118 ESP Fit Center 3943 is at 3.420951 -0.667942 2.400508 ESP Fit Center 3944 is at 3.837706 -0.667942 2.364047 ESP Fit Center 3945 is at 3.629329 -0.307021 2.364047 ESP Fit Center 3946 is at 3.212573 -0.307021 2.364047 ESP Fit Center 3947 is at 3.004195 -0.667942 2.364047 ESP Fit Center 3948 is at 3.212573 -1.028863 2.364047 ESP Fit Center 3949 is at 3.629329 -1.028863 2.364047 ESP Fit Center 3950 is at 4.241799 -0.667942 2.255771 ESP Fit Center 3951 is at 4.131826 -0.257518 2.255771 ESP Fit Center 3952 is at 3.010527 0.042933 2.255771 ESP Fit Center 3953 is at 2.710075 -0.257518 2.255771 ESP Fit Center 3954 is at 2.710075 -1.078366 2.255771 ESP Fit Center 3955 is at 3.010527 -1.378818 2.255771 ESP Fit Center 3956 is at 3.420951 -1.488791 2.255771 ESP Fit Center 3957 is at 2.501697 0.103403 2.078969 ESP Fit Center 3958 is at 4.548582 -0.257518 -2.077953 ESP Fit Center 3959 is at 2.820951 0.371288 -2.077953 ESP Fit Center 3960 is at 4.241799 -0.667942 -2.254754 ESP Fit Center 3961 is at 4.131826 -0.257518 -2.254754 ESP Fit Center 3962 is at 3.420951 0.152906 -2.254754 ESP Fit Center 3963 is at 3.010527 0.042933 -2.254754 ESP Fit Center 3964 is at 2.710075 -0.257518 -2.254754 ESP Fit Center 3965 is at 3.010527 -1.378818 -2.254754 ESP Fit Center 3966 is at 3.420951 -1.488791 -2.254754 ESP Fit Center 3967 is at 3.837706 -0.667942 -2.363030 ESP Fit Center 3968 is at 3.629329 -0.307021 -2.363030 ESP Fit Center 3969 is at 3.212573 -0.307021 -2.363030 ESP Fit Center 3970 is at 3.004195 -0.667942 -2.363030 ESP Fit Center 3971 is at 3.212573 -1.028863 -2.363030 ESP Fit Center 3972 is at 3.629329 -1.028863 -2.363030 ESP Fit Center 3973 is at 3.420951 -0.667942 -2.399492 ESP Fit Center 3974 is at 4.289054 -1.678951 2.390886 ESP Fit Center 3975 is at 4.705810 -1.678951 2.354425 ESP Fit Center 3976 is at 4.497432 -1.318030 2.354425 ESP Fit Center 3977 is at 4.080677 -1.318030 2.354425 ESP Fit Center 3978 is at 3.872299 -1.678951 2.354425 ESP Fit Center 3979 is at 4.080677 -2.039872 2.354425 ESP Fit Center 3980 is at 4.497432 -2.039872 2.354425 ESP Fit Center 3981 is at 4.699479 -0.968075 2.246148 ESP Fit Center 3982 is at 4.289054 -0.858103 2.246148 ESP Fit Center 3983 is at 3.468206 -1.678951 2.246148 ESP Fit Center 3984 is at 3.578179 -2.089375 2.246148 ESP Fit Center 3985 is at 3.878630 -2.389826 2.246148 ESP Fit Center 3986 is at 4.289054 -2.499799 2.246148 ESP Fit Center 3987 is at 4.699479 -2.389826 2.246148 ESP Fit Center 3988 is at 4.999930 -2.089375 2.246148 ESP Fit Center 3989 is at 3.161423 -2.089375 2.069347 ESP Fit Center 3990 is at 3.369801 -2.450296 2.069347 ESP Fit Center 3991 is at 3.689054 -2.718181 2.069347 ESP Fit Center 3992 is at 4.080677 -2.860720 2.069347 ESP Fit Center 3993 is at 4.497432 -2.860720 2.069347 ESP Fit Center 3994 is at 4.889054 -2.718181 2.069347 ESP Fit Center 3995 is at 2.874081 -2.293560 1.829393 ESP Fit Center 3996 is at 3.092372 -2.652524 1.829393 ESP Fit Center 3997 is at 3.399415 -2.939282 1.829393 ESP Fit Center 3998 is at 3.772439 -3.132568 1.829393 ESP Fit Center 3999 is at 4.183777 -3.218045 1.829393 ESP Fit Center 4000 is at 4.602924 -3.189374 1.829393 ESP Fit Center 4001 is at 4.998792 -3.048683 1.829393 ESP Fit Center 4002 is at 5.017250 -3.367097 1.533576 ESP Fit Center 4003 is at 5.017250 -3.367097 -1.551804 ESP Fit Center 4004 is at 3.092372 -2.652524 -1.847621 ESP Fit Center 4005 is at 4.602924 -3.189374 -1.847621 ESP Fit Center 4006 is at 4.998792 -3.048683 -1.847621 ESP Fit Center 4007 is at 4.889054 -0.639720 -2.087575 ESP Fit Center 4008 is at 3.161423 -2.089375 -2.087575 ESP Fit Center 4009 is at 3.369801 -2.450296 -2.087575 ESP Fit Center 4010 is at 3.689054 -2.718181 -2.087575 ESP Fit Center 4011 is at 4.080677 -2.860720 -2.087575 ESP Fit Center 4012 is at 4.497432 -2.860720 -2.087575 ESP Fit Center 4013 is at 4.889054 -2.718181 -2.087575 ESP Fit Center 4014 is at 5.208308 -2.450296 -2.087575 ESP Fit Center 4015 is at 4.999930 -1.268527 -2.264376 ESP Fit Center 4016 is at 4.699479 -0.968075 -2.264376 ESP Fit Center 4017 is at 4.289054 -0.858103 -2.264376 ESP Fit Center 4018 is at 3.468206 -1.678951 -2.264376 ESP Fit Center 4019 is at 3.578179 -2.089375 -2.264376 ESP Fit Center 4020 is at 3.878630 -2.389826 -2.264376 ESP Fit Center 4021 is at 4.289054 -2.499799 -2.264376 ESP Fit Center 4022 is at 4.699479 -2.389826 -2.264376 ESP Fit Center 4023 is at 4.999930 -2.089375 -2.264376 ESP Fit Center 4024 is at 4.705810 -1.678951 -2.372652 ESP Fit Center 4025 is at 4.497432 -1.318030 -2.372652 ESP Fit Center 4026 is at 4.080677 -1.318030 -2.372652 ESP Fit Center 4027 is at 3.872299 -1.678951 -2.372652 ESP Fit Center 4028 is at 4.080677 -2.039872 -2.372652 ESP Fit Center 4029 is at 4.497432 -2.039872 -2.372652 ESP Fit Center 4030 is at 4.289054 -1.678951 -2.409114 ESP Fit Center 4031 is at 5.727847 -1.416211 2.426692 ESP Fit Center 4032 is at 6.144602 -1.416211 2.390231 ESP Fit Center 4033 is at 5.936225 -1.055290 2.390231 ESP Fit Center 4034 is at 5.519469 -1.055290 2.390231 ESP Fit Center 4035 is at 5.311091 -1.416211 2.390231 ESP Fit Center 4036 is at 5.519469 -1.777132 2.390231 ESP Fit Center 4037 is at 5.936225 -1.777132 2.390231 ESP Fit Center 4038 is at 6.548695 -1.416211 2.281954 ESP Fit Center 4039 is at 5.317423 -0.705336 2.281954 ESP Fit Center 4040 is at 5.016971 -1.005787 2.281954 ESP Fit Center 4041 is at 5.016971 -1.826635 2.281954 ESP Fit Center 4042 is at 5.317423 -2.127087 2.281954 ESP Fit Center 4043 is at 5.727847 -2.237059 2.281954 ESP Fit Center 4044 is at 6.138271 -2.127087 2.281954 ESP Fit Center 4045 is at 6.438722 -1.826635 2.281954 ESP Fit Center 4046 is at 6.927847 -1.416211 2.105153 ESP Fit Center 4047 is at 4.808593 -0.644866 2.105153 ESP Fit Center 4048 is at 5.127847 -2.455442 2.105153 ESP Fit Center 4049 is at 5.519469 -2.597980 2.105153 ESP Fit Center 4050 is at 5.936225 -2.597980 2.105153 ESP Fit Center 4051 is at 6.327847 -2.455442 2.105153 ESP Fit Center 4052 is at 6.647100 -2.187556 2.105153 ESP Fit Center 4053 is at 6.855478 -1.826635 2.105153 ESP Fit Center 4054 is at 7.270537 -1.416211 1.865199 ESP Fit Center 4055 is at 5.211231 -2.869828 1.865199 ESP Fit Center 4056 is at 5.622570 -2.955305 1.865199 ESP Fit Center 4057 is at 6.041716 -2.926635 1.865199 ESP Fit Center 4058 is at 6.437585 -2.785943 1.865199 ESP Fit Center 4059 is at 7.045951 -2.217768 1.865199 ESP Fit Center 4060 is at 7.213330 -1.832424 1.865199 ESP Fit Center 4061 is at 5.620947 -3.251607 1.569382 ESP Fit Center 4062 is at 7.516796 -1.840200 1.569382 ESP Fit Center 4063 is at 5.622574 -3.492004 1.226692 ESP Fit Center 4064 is at 5.406890 -3.648518 0.847540 ESP Fit Center 4065 is at 7.806308 -1.416211 -1.173308 ESP Fit Center 4066 is at 7.566353 -1.416211 -1.515998 ESP Fit Center 4067 is at 5.620947 -3.251607 -1.515998 ESP Fit Center 4068 is at 7.516796 -1.840200 -1.515998 ESP Fit Center 4069 is at 7.270537 -1.416211 -1.811815 ESP Fit Center 4070 is at 5.622570 -2.955305 -1.811815 ESP Fit Center 4071 is at 6.041716 -2.926635 -1.811815 ESP Fit Center 4072 is at 7.045951 -2.217768 -1.811815 ESP Fit Center 4073 is at 7.213330 -1.832424 -1.811815 ESP Fit Center 4074 is at 6.927847 -1.416211 -2.051769 ESP Fit Center 4075 is at 5.519469 -2.597980 -2.051769 ESP Fit Center 4076 is at 5.936225 -2.597980 -2.051769 ESP Fit Center 4077 is at 6.327847 -2.455442 -2.051769 ESP Fit Center 4078 is at 6.647100 -2.187556 -2.051769 ESP Fit Center 4079 is at 6.855478 -1.826635 -2.051769 ESP Fit Center 4080 is at 6.548695 -1.416211 -2.228570 ESP Fit Center 4081 is at 6.438722 -1.005787 -2.228570 ESP Fit Center 4082 is at 5.317423 -0.705336 -2.228570 ESP Fit Center 4083 is at 5.016971 -1.005787 -2.228570 ESP Fit Center 4084 is at 5.317423 -2.127087 -2.228570 ESP Fit Center 4085 is at 5.727847 -2.237059 -2.228570 ESP Fit Center 4086 is at 6.138271 -2.127087 -2.228570 ESP Fit Center 4087 is at 6.438722 -1.826635 -2.228570 ESP Fit Center 4088 is at 6.144602 -1.416211 -2.336846 ESP Fit Center 4089 is at 5.936225 -1.055290 -2.336846 ESP Fit Center 4090 is at 5.519469 -1.055290 -2.336846 ESP Fit Center 4091 is at 5.311091 -1.416211 -2.336846 ESP Fit Center 4092 is at 5.519469 -1.777132 -2.336846 ESP Fit Center 4093 is at 5.936225 -1.777132 -2.336846 ESP Fit Center 4094 is at 5.727847 -1.416211 -2.373308 ESP Fit Center 4095 is at 6.176680 -0.163649 2.467181 ESP Fit Center 4096 is at 6.593436 -0.163649 2.430719 ESP Fit Center 4097 is at 6.385058 0.197272 2.430719 ESP Fit Center 4098 is at 5.968302 0.197272 2.430719 ESP Fit Center 4099 is at 5.759925 -0.163649 2.430719 ESP Fit Center 4100 is at 5.968302 -0.524570 2.430719 ESP Fit Center 4101 is at 6.385058 -0.524570 2.430719 ESP Fit Center 4102 is at 6.997529 -0.163649 2.322443 ESP Fit Center 4103 is at 6.887556 0.246775 2.322443 ESP Fit Center 4104 is at 6.587104 0.547227 2.322443 ESP Fit Center 4105 is at 6.176680 0.657200 2.322443 ESP Fit Center 4106 is at 5.355832 -0.163649 2.322443 ESP Fit Center 4107 is at 5.465805 -0.574073 2.322443 ESP Fit Center 4108 is at 6.587104 -0.874524 2.322443 ESP Fit Center 4109 is at 6.887556 -0.574073 2.322443 ESP Fit Center 4110 is at 7.376680 -0.163649 2.145642 ESP Fit Center 4111 is at 7.304311 0.246775 2.145642 ESP Fit Center 4112 is at 7.095934 0.607696 2.145642 ESP Fit Center 4113 is at 6.776680 0.875582 2.145642 ESP Fit Center 4114 is at 7.095934 -0.934994 2.145642 ESP Fit Center 4115 is at 7.304311 -0.574073 2.145642 ESP Fit Center 4116 is at 7.494785 0.637908 1.905687 ESP Fit Center 4117 is at 7.229648 0.963805 1.905687 ESP Fit Center 4118 is at 6.886418 1.206083 1.905687 ESP Fit Center 4119 is at 7.229648 -1.291102 1.905687 ESP Fit Center 4120 is at 7.494785 -0.965206 1.905687 ESP Fit Center 4121 is at 7.662163 -0.579862 1.905687 ESP Fit Center 4122 is at 7.274560 1.311060 1.609871 ESP Fit Center 4123 is at 7.585058 -1.345418 1.609871 ESP Fit Center 4124 is at 7.819630 -0.988769 1.609871 ESP Fit Center 4125 is at 7.276111 1.600225 1.267181 ESP Fit Center 4126 is at 7.882605 -1.351008 1.267181 ESP Fit Center 4127 is at 7.276111 1.600225 -1.132819 ESP Fit Center 4128 is at 7.882605 -1.351008 -1.132819 ESP Fit Center 4129 is at 7.274560 1.311060 -1.475509 ESP Fit Center 4130 is at 7.819630 -0.988769 -1.475509 ESP Fit Center 4131 is at 7.719371 -0.163649 -1.771326 ESP Fit Center 4132 is at 7.662163 0.252564 -1.771326 ESP Fit Center 4133 is at 7.494785 0.637908 -1.771326 ESP Fit Center 4134 is at 7.229648 0.963805 -1.771326 ESP Fit Center 4135 is at 6.886418 1.206083 -1.771326 ESP Fit Center 4136 is at 7.494785 -0.965206 -1.771326 ESP Fit Center 4137 is at 7.662163 -0.579862 -1.771326 ESP Fit Center 4138 is at 7.376680 -0.163649 -2.011280 ESP Fit Center 4139 is at 7.304311 0.246775 -2.011280 ESP Fit Center 4140 is at 7.095934 0.607696 -2.011280 ESP Fit Center 4141 is at 6.776680 0.875582 -2.011280 ESP Fit Center 4142 is at 7.095934 -0.934994 -2.011280 ESP Fit Center 4143 is at 7.304311 -0.574073 -2.011280 ESP Fit Center 4144 is at 6.997529 -0.163649 -2.188081 ESP Fit Center 4145 is at 6.887556 0.246775 -2.188081 ESP Fit Center 4146 is at 6.587104 0.547227 -2.188081 ESP Fit Center 4147 is at 6.176680 0.657200 -2.188081 ESP Fit Center 4148 is at 5.355832 -0.163649 -2.188081 ESP Fit Center 4149 is at 6.587104 -0.874524 -2.188081 ESP Fit Center 4150 is at 6.887556 -0.574073 -2.188081 ESP Fit Center 4151 is at 6.593436 -0.163649 -2.296358 ESP Fit Center 4152 is at 6.385058 0.197272 -2.296358 ESP Fit Center 4153 is at 5.968302 0.197272 -2.296358 ESP Fit Center 4154 is at 5.759925 -0.163649 -2.296358 ESP Fit Center 4155 is at 5.968302 -0.524570 -2.296358 ESP Fit Center 4156 is at 6.385058 -0.524570 -2.296358 ESP Fit Center 4157 is at 6.176680 -0.163649 -2.332819 ESP Fit Center 4158 is at 5.230896 0.950773 2.477985 ESP Fit Center 4159 is at 5.647652 0.950773 2.441524 ESP Fit Center 4160 is at 5.439274 1.311694 2.441524 ESP Fit Center 4161 is at 5.022518 1.311694 2.441524 ESP Fit Center 4162 is at 4.814141 0.950773 2.441524 ESP Fit Center 4163 is at 5.022518 0.589852 2.441524 ESP Fit Center 4164 is at 5.439274 0.589852 2.441524 ESP Fit Center 4165 is at 6.051745 0.950773 2.333248 ESP Fit Center 4166 is at 5.941772 1.361197 2.333248 ESP Fit Center 4167 is at 5.641320 1.661649 2.333248 ESP Fit Center 4168 is at 5.230896 1.771622 2.333248 ESP Fit Center 4169 is at 4.820472 1.661649 2.333248 ESP Fit Center 4170 is at 4.520021 1.361197 2.333248 ESP Fit Center 4171 is at 4.820472 0.239898 2.333248 ESP Fit Center 4172 is at 5.230896 0.129925 2.333248 ESP Fit Center 4173 is at 6.358527 1.361197 2.156446 ESP Fit Center 4174 is at 6.150150 1.722118 2.156446 ESP Fit Center 4175 is at 5.830896 1.990004 2.156446 ESP Fit Center 4176 is at 5.439274 2.132543 2.156446 ESP Fit Center 4177 is at 5.022518 2.132543 2.156446 ESP Fit Center 4178 is at 4.630896 1.990004 2.156446 ESP Fit Center 4179 is at 6.716379 1.366986 1.916492 ESP Fit Center 4180 is at 6.549001 1.752330 1.916492 ESP Fit Center 4181 is at 6.283864 2.078227 1.916492 ESP Fit Center 4182 is at 5.125619 2.489867 1.916492 ESP Fit Center 4183 is at 4.714281 2.404390 1.916492 ESP Fit Center 4184 is at 4.341257 2.211105 1.916492 ESP Fit Center 4185 is at 6.873846 1.775894 1.620676 ESP Fit Center 4186 is at 4.311643 2.542967 1.620676 ESP Fit Center 4187 is at 7.140914 1.770427 1.277985 ESP Fit Center 4188 is at 4.315554 2.816825 1.277985 ESP Fit Center 4189 is at 7.324609 1.788970 -0.742863 ESP Fit Center 4190 is at 7.140914 1.770427 -1.122015 ESP Fit Center 4191 is at 4.315554 2.816825 -1.122015 ESP Fit Center 4192 is at 6.873846 1.775894 -1.464705 ESP Fit Center 4193 is at 4.703607 2.712043 -1.464705 ESP Fit Center 4194 is at 4.311643 2.542967 -1.464705 ESP Fit Center 4195 is at 6.716379 1.366986 -1.760521 ESP Fit Center 4196 is at 6.549001 1.752330 -1.760521 ESP Fit Center 4197 is at 6.283864 2.078227 -1.760521 ESP Fit Center 4198 is at 5.940634 2.320505 -1.760521 ESP Fit Center 4199 is at 5.544766 2.461197 -1.760521 ESP Fit Center 4200 is at 5.125619 2.489867 -1.760521 ESP Fit Center 4201 is at 4.714281 2.404390 -1.760521 ESP Fit Center 4202 is at 6.358527 1.361197 -2.000476 ESP Fit Center 4203 is at 6.150150 1.722118 -2.000476 ESP Fit Center 4204 is at 5.830896 1.990004 -2.000476 ESP Fit Center 4205 is at 5.439274 2.132543 -2.000476 ESP Fit Center 4206 is at 5.022518 2.132543 -2.000476 ESP Fit Center 4207 is at 4.630896 1.990004 -2.000476 ESP Fit Center 4208 is at 6.051745 0.950773 -2.177277 ESP Fit Center 4209 is at 5.941772 1.361197 -2.177277 ESP Fit Center 4210 is at 5.641320 1.661649 -2.177277 ESP Fit Center 4211 is at 5.230896 1.771622 -2.177277 ESP Fit Center 4212 is at 4.820472 1.661649 -2.177277 ESP Fit Center 4213 is at 4.820472 0.239898 -2.177277 ESP Fit Center 4214 is at 5.230896 0.129925 -2.177277 ESP Fit Center 4215 is at 5.647652 0.950773 -2.285553 ESP Fit Center 4216 is at 5.439274 1.311694 -2.285553 ESP Fit Center 4217 is at 5.022518 1.311694 -2.285553 ESP Fit Center 4218 is at 4.814141 0.950773 -2.285553 ESP Fit Center 4219 is at 5.022518 0.589852 -2.285553 ESP Fit Center 4220 is at 5.439274 0.589852 -2.285553 ESP Fit Center 4221 is at 5.230896 0.950773 -2.322015 ESP Fit Center 4222 is at 3.920867 0.714642 2.446180 ESP Fit Center 4223 is at 4.337623 0.714642 2.409718 ESP Fit Center 4224 is at 4.129245 1.075563 2.409718 ESP Fit Center 4225 is at 3.712489 1.075563 2.409718 ESP Fit Center 4226 is at 3.504111 0.714642 2.409718 ESP Fit Center 4227 is at 3.712489 0.353721 2.409718 ESP Fit Center 4228 is at 4.129245 0.353721 2.409718 ESP Fit Center 4229 is at 4.331291 1.425517 2.301442 ESP Fit Center 4230 is at 3.920867 1.535490 2.301442 ESP Fit Center 4231 is at 3.510443 1.425517 2.301442 ESP Fit Center 4232 is at 3.209992 1.125066 2.301442 ESP Fit Center 4233 is at 3.100019 0.714642 2.301442 ESP Fit Center 4234 is at 3.209992 0.304218 2.301442 ESP Fit Center 4235 is at 3.920867 -0.106206 2.301442 ESP Fit Center 4236 is at 4.331291 0.003766 2.301442 ESP Fit Center 4237 is at 4.129245 1.896411 2.124641 ESP Fit Center 4238 is at 3.712489 1.896411 2.124641 ESP Fit Center 4239 is at 3.320867 1.753872 2.124641 ESP Fit Center 4240 is at 3.001614 1.485987 2.124641 ESP Fit Center 4241 is at 2.793236 1.125066 2.124641 ESP Fit Center 4242 is at 2.720867 0.714642 2.124641 ESP Fit Center 4243 is at 2.793236 0.304218 2.124641 ESP Fit Center 4244 is at 4.520867 -0.324589 2.124641 ESP Fit Center 4245 is at 4.234737 2.225065 1.884686 ESP Fit Center 4246 is at 3.815590 2.253736 1.884686 ESP Fit Center 4247 is at 3.404252 2.168259 1.884686 ESP Fit Center 4248 is at 2.505894 1.329251 1.884686 ESP Fit Center 4249 is at 2.392545 0.924705 1.884686 ESP Fit Center 4250 is at 3.813967 2.550038 1.588870 ESP Fit Center 4251 is at 4.235604 2.769135 -1.153820 ESP Fit Center 4252 is at 4.240120 2.525218 -1.496510 ESP Fit Center 4253 is at 3.813967 2.550038 -1.496510 ESP Fit Center 4254 is at 4.234737 2.225065 -1.792327 ESP Fit Center 4255 is at 3.815590 2.253736 -1.792327 ESP Fit Center 4256 is at 3.404252 2.168259 -1.792327 ESP Fit Center 4257 is at 2.724185 1.688215 -1.792327 ESP Fit Center 4258 is at 2.505894 1.329251 -1.792327 ESP Fit Center 4259 is at 4.129245 1.896411 -2.032281 ESP Fit Center 4260 is at 3.712489 1.896411 -2.032281 ESP Fit Center 4261 is at 3.320867 1.753872 -2.032281 ESP Fit Center 4262 is at 3.001614 1.485987 -2.032281 ESP Fit Center 4263 is at 2.793236 1.125066 -2.032281 ESP Fit Center 4264 is at 2.720867 0.714642 -2.032281 ESP Fit Center 4265 is at 4.331291 1.425517 -2.209083 ESP Fit Center 4266 is at 3.920867 1.535490 -2.209083 ESP Fit Center 4267 is at 3.510443 1.425517 -2.209083 ESP Fit Center 4268 is at 3.209992 1.125066 -2.209083 ESP Fit Center 4269 is at 3.100019 0.714642 -2.209083 ESP Fit Center 4270 is at 3.209992 0.304218 -2.209083 ESP Fit Center 4271 is at 4.331291 0.003766 -2.209083 ESP Fit Center 4272 is at 4.631743 0.304218 -2.209083 ESP Fit Center 4273 is at 4.337623 0.714642 -2.317359 ESP Fit Center 4274 is at 4.129245 1.075563 -2.317359 ESP Fit Center 4275 is at 3.712489 1.075563 -2.317359 ESP Fit Center 4276 is at 3.504111 0.714642 -2.317359 ESP Fit Center 4277 is at 3.712489 0.353721 -2.317359 ESP Fit Center 4278 is at 4.129245 0.353721 -2.317359 ESP Fit Center 4279 is at 3.920867 0.714642 -2.353820 ESP Fit Center 4280 is at 3.213838 -3.095264 1.688018 ESP Fit Center 4281 is at 3.518758 -3.400184 1.688018 ESP Fit Center 4282 is at 3.935286 -3.511793 1.688018 ESP Fit Center 4283 is at 4.351815 -3.400184 1.688018 ESP Fit Center 4284 is at 3.018254 -3.448217 1.459274 ESP Fit Center 4285 is at 3.336736 -3.715455 1.459274 ESP Fit Center 4286 is at 3.727412 -3.857650 1.459274 ESP Fit Center 4287 is at 4.143161 -3.857650 1.459274 ESP Fit Center 4288 is at 4.533837 -3.715455 1.459274 ESP Fit Center 4289 is at 2.952264 -3.813204 1.155258 ESP Fit Center 4290 is at 3.311700 -4.044199 1.155258 ESP Fit Center 4291 is at 3.721655 -4.164573 1.155258 ESP Fit Center 4292 is at 4.148917 -4.164573 1.155258 ESP Fit Center 4293 is at 4.558873 -4.044199 1.155258 ESP Fit Center 4294 is at 4.918309 -3.813204 1.155258 ESP Fit Center 4295 is at 2.952614 -4.102383 0.791215 ESP Fit Center 4296 is at 3.321869 -4.296183 0.791215 ESP Fit Center 4297 is at 3.726775 -4.395984 0.791215 ESP Fit Center 4298 is at 4.143798 -4.395984 0.791215 ESP Fit Center 4299 is at 4.548703 -4.296183 0.791215 ESP Fit Center 4300 is at 4.917959 -4.102383 0.791215 ESP Fit Center 4301 is at 5.230105 -3.825845 0.791215 ESP Fit Center 4302 is at 2.768200 -4.142216 0.385398 ESP Fit Center 4303 is at 3.123116 -4.365225 0.385398 ESP Fit Center 4304 is at 3.518758 -4.503666 0.385398 ESP Fit Center 4305 is at 3.935286 -4.550598 0.385398 ESP Fit Center 4306 is at 4.351815 -4.503666 0.385398 ESP Fit Center 4307 is at 4.747457 -4.365225 0.385398 ESP Fit Center 4308 is at 5.102373 -4.142216 0.385398 ESP Fit Center 4309 is at 5.398767 -3.845823 0.385398 ESP Fit Center 4310 is at 2.857807 -4.267899 -0.041842 ESP Fit Center 4311 is at 3.224621 -4.462371 -0.041842 ESP Fit Center 4312 is at 3.624665 -4.573443 -0.041842 ESP Fit Center 4313 is at 4.039233 -4.595920 -0.041842 ESP Fit Center 4314 is at 4.448941 -4.528752 -0.041842 ESP Fit Center 4315 is at 4.834631 -4.375079 -0.041842 ESP Fit Center 4316 is at 5.178268 -4.142087 -0.041842 ESP Fit Center 4317 is at 2.768200 -4.142216 -0.469082 ESP Fit Center 4318 is at 3.123116 -4.365225 -0.469082 ESP Fit Center 4319 is at 3.518758 -4.503666 -0.469082 ESP Fit Center 4320 is at 3.935286 -4.550598 -0.469082 ESP Fit Center 4321 is at 4.351815 -4.503666 -0.469082 ESP Fit Center 4322 is at 4.747457 -4.365225 -0.469082 ESP Fit Center 4323 is at 5.102373 -4.142216 -0.469082 ESP Fit Center 4324 is at 5.398767 -3.845823 -0.469082 ESP Fit Center 4325 is at 2.952614 -4.102383 -0.874899 ESP Fit Center 4326 is at 3.321869 -4.296183 -0.874899 ESP Fit Center 4327 is at 3.726775 -4.395984 -0.874899 ESP Fit Center 4328 is at 4.143798 -4.395984 -0.874899 ESP Fit Center 4329 is at 4.548703 -4.296183 -0.874899 ESP Fit Center 4330 is at 4.917959 -4.102383 -0.874899 ESP Fit Center 4331 is at 5.230105 -3.825845 -0.874899 ESP Fit Center 4332 is at 2.952264 -3.813204 -1.238943 ESP Fit Center 4333 is at 3.311700 -4.044199 -1.238943 ESP Fit Center 4334 is at 3.721655 -4.164573 -1.238943 ESP Fit Center 4335 is at 4.148917 -4.164573 -1.238943 ESP Fit Center 4336 is at 4.558873 -4.044199 -1.238943 ESP Fit Center 4337 is at 4.918309 -3.813204 -1.238943 ESP Fit Center 4338 is at 3.018254 -3.448217 -1.542959 ESP Fit Center 4339 is at 3.336736 -3.715455 -1.542959 ESP Fit Center 4340 is at 3.727412 -3.857650 -1.542959 ESP Fit Center 4341 is at 4.143161 -3.857650 -1.542959 ESP Fit Center 4342 is at 4.533837 -3.715455 -1.542959 ESP Fit Center 4343 is at 4.852318 -3.448217 -1.542959 ESP Fit Center 4344 is at 3.213838 -3.095264 -1.771702 ESP Fit Center 4345 is at 3.518758 -3.400184 -1.771702 ESP Fit Center 4346 is at 3.935286 -3.511793 -1.771702 ESP Fit Center 4347 is at 4.351815 -3.400184 -1.771702 ESP Fit Center 4348 is at 3.721666 -3.048737 -1.913704 ESP Fit Center 4349 is at 7.247322 -2.224801 1.748502 ESP Fit Center 4350 is at 6.414266 -3.057858 1.748502 ESP Fit Center 4351 is at 6.830794 -2.946250 1.748502 ESP Fit Center 4352 is at 7.135714 -2.641330 1.748502 ESP Fit Center 4353 is at 7.611366 -2.224801 1.519758 ESP Fit Center 4354 is at 6.206391 -3.403715 1.519758 ESP Fit Center 4355 is at 6.622140 -3.403715 1.519758 ESP Fit Center 4356 is at 7.012816 -3.261521 1.519758 ESP Fit Center 4357 is at 7.331298 -2.994283 1.519758 ESP Fit Center 4358 is at 7.539172 -2.634234 1.519758 ESP Fit Center 4359 is at 7.915382 -2.224801 1.215742 ESP Fit Center 4360 is at 7.854576 -1.801888 1.215742 ESP Fit Center 4361 is at 5.790679 -3.590265 1.215742 ESP Fit Center 4362 is at 6.200634 -3.710639 1.215742 ESP Fit Center 4363 is at 6.627897 -3.710639 1.215742 ESP Fit Center 4364 is at 7.037852 -3.590265 1.215742 ESP Fit Center 4365 is at 7.397288 -3.359270 1.215742 ESP Fit Center 4366 is at 7.677085 -3.036366 1.215742 ESP Fit Center 4367 is at 7.854576 -2.647715 1.215742 ESP Fit Center 4368 is at 8.144126 -2.224801 0.851699 ESP Fit Center 4369 is at 8.093859 -1.810819 0.851699 ESP Fit Center 4370 is at 5.800849 -3.842249 0.851699 ESP Fit Center 4371 is at 6.205754 -3.942049 0.851699 ESP Fit Center 4372 is at 6.622777 -3.942049 0.851699 ESP Fit Center 4373 is at 7.027682 -3.842249 0.851699 ESP Fit Center 4374 is at 7.396938 -3.648449 0.851699 ESP Fit Center 4375 is at 7.709085 -3.371911 0.851699 ESP Fit Center 4376 is at 7.945981 -3.028708 0.851699 ESP Fit Center 4377 is at 8.093859 -2.638784 0.851699 ESP Fit Center 4378 is at 8.286127 -2.224801 0.445882 ESP Fit Center 4379 is at 8.239196 -1.808273 0.445882 ESP Fit Center 4380 is at 5.602095 -3.911290 0.445882 ESP Fit Center 4381 is at 5.997737 -4.049732 0.445882 ESP Fit Center 4382 is at 6.414266 -4.096663 0.445882 ESP Fit Center 4383 is at 6.830794 -4.049732 0.445882 ESP Fit Center 4384 is at 7.226436 -3.911290 0.445882 ESP Fit Center 4385 is at 7.581352 -3.688282 0.445882 ESP Fit Center 4386 is at 7.877746 -3.391888 0.445882 ESP Fit Center 4387 is at 8.100755 -3.036972 0.445882 ESP Fit Center 4388 is at 8.239196 -2.641330 0.445882 ESP Fit Center 4389 is at 8.334266 -2.224801 0.018642 ESP Fit Center 4390 is at 8.289377 -1.812058 0.018642 ESP Fit Center 4391 is at 5.703600 -4.008437 0.018642 ESP Fit Center 4392 is at 6.103644 -4.119508 0.018642 ESP Fit Center 4393 is at 6.518212 -4.141986 0.018642 ESP Fit Center 4394 is at 6.927920 -4.074817 0.018642 ESP Fit Center 4395 is at 7.313610 -3.921145 0.018642 ESP Fit Center 4396 is at 7.657247 -3.688153 0.018642 ESP Fit Center 4397 is at 7.942764 -3.386736 0.018642 ESP Fit Center 4398 is at 8.156810 -3.030989 0.018642 ESP Fit Center 4399 is at 8.289377 -2.637545 0.018642 ESP Fit Center 4400 is at 8.286127 -2.224801 -0.408598 ESP Fit Center 4401 is at 8.239196 -1.808273 -0.408598 ESP Fit Center 4402 is at 5.602095 -3.911290 -0.408598 ESP Fit Center 4403 is at 5.997737 -4.049732 -0.408598 ESP Fit Center 4404 is at 6.414266 -4.096663 -0.408598 ESP Fit Center 4405 is at 6.830794 -4.049732 -0.408598 ESP Fit Center 4406 is at 7.226436 -3.911290 -0.408598 ESP Fit Center 4407 is at 7.581352 -3.688282 -0.408598 ESP Fit Center 4408 is at 7.877746 -3.391888 -0.408598 ESP Fit Center 4409 is at 8.100755 -3.036972 -0.408598 ESP Fit Center 4410 is at 8.239196 -2.641330 -0.408598 ESP Fit Center 4411 is at 8.144126 -2.224801 -0.814415 ESP Fit Center 4412 is at 8.093859 -1.810819 -0.814415 ESP Fit Center 4413 is at 5.431593 -3.648449 -0.814415 ESP Fit Center 4414 is at 5.800849 -3.842249 -0.814415 ESP Fit Center 4415 is at 6.205754 -3.942049 -0.814415 ESP Fit Center 4416 is at 6.622777 -3.942049 -0.814415 ESP Fit Center 4417 is at 7.027682 -3.842249 -0.814415 ESP Fit Center 4418 is at 7.396938 -3.648449 -0.814415 ESP Fit Center 4419 is at 7.709085 -3.371911 -0.814415 ESP Fit Center 4420 is at 7.945981 -3.028708 -0.814415 ESP Fit Center 4421 is at 8.093859 -2.638784 -0.814415 ESP Fit Center 4422 is at 7.915382 -2.224801 -1.178459 ESP Fit Center 4423 is at 7.854576 -1.801888 -1.178459 ESP Fit Center 4424 is at 5.790679 -3.590265 -1.178459 ESP Fit Center 4425 is at 6.200634 -3.710639 -1.178459 ESP Fit Center 4426 is at 6.627897 -3.710639 -1.178459 ESP Fit Center 4427 is at 7.037852 -3.590265 -1.178459 ESP Fit Center 4428 is at 7.397288 -3.359270 -1.178459 ESP Fit Center 4429 is at 7.677085 -3.036366 -1.178459 ESP Fit Center 4430 is at 7.854576 -2.647715 -1.178459 ESP Fit Center 4431 is at 7.611366 -2.224801 -1.482475 ESP Fit Center 4432 is at 6.206391 -3.403715 -1.482475 ESP Fit Center 4433 is at 6.622140 -3.403715 -1.482475 ESP Fit Center 4434 is at 7.012816 -3.261521 -1.482475 ESP Fit Center 4435 is at 7.331298 -2.994283 -1.482475 ESP Fit Center 4436 is at 7.539172 -2.634234 -1.482475 ESP Fit Center 4437 is at 7.247322 -2.224801 -1.711218 ESP Fit Center 4438 is at 6.414266 -3.057858 -1.711218 ESP Fit Center 4439 is at 6.830794 -2.946250 -1.711218 ESP Fit Center 4440 is at 7.135714 -2.641330 -1.711218 ESP Fit Center 4441 is at 7.647349 0.024744 1.965002 ESP Fit Center 4442 is at 8.053166 0.024744 1.823001 ESP Fit Center 4443 is at 7.941557 0.441273 1.823001 ESP Fit Center 4444 is at 7.636637 0.746193 1.823001 ESP Fit Center 4445 is at 7.941557 -0.391784 1.823001 ESP Fit Center 4446 is at 8.417209 0.024744 1.594257 ESP Fit Center 4447 is at 8.345015 0.434177 1.594257 ESP Fit Center 4448 is at 8.137141 0.794226 1.594257 ESP Fit Center 4449 is at 7.818659 1.061464 1.594257 ESP Fit Center 4450 is at 7.427983 1.203658 1.594257 ESP Fit Center 4451 is at 8.137141 -0.744737 1.594257 ESP Fit Center 4452 is at 8.345015 -0.384688 1.594257 ESP Fit Center 4453 is at 8.721225 0.024744 1.290241 ESP Fit Center 4454 is at 8.660419 0.447658 1.290241 ESP Fit Center 4455 is at 8.482928 0.836309 1.290241 ESP Fit Center 4456 is at 8.203131 1.159213 1.290241 ESP Fit Center 4457 is at 7.843695 1.390208 1.290241 ESP Fit Center 4458 is at 7.433740 1.510582 1.290241 ESP Fit Center 4459 is at 8.203131 -1.109724 1.290241 ESP Fit Center 4460 is at 8.482928 -0.786820 1.290241 ESP Fit Center 4461 is at 8.660419 -0.398169 1.290241 ESP Fit Center 4462 is at 8.949969 0.024744 0.926198 ESP Fit Center 4463 is at 8.899702 0.438727 0.926198 ESP Fit Center 4464 is at 8.751824 0.828651 0.926198 ESP Fit Center 4465 is at 8.514928 1.171854 0.926198 ESP Fit Center 4466 is at 8.202781 1.448391 0.926198 ESP Fit Center 4467 is at 7.833526 1.642192 0.926198 ESP Fit Center 4468 is at 7.428620 1.741992 0.926198 ESP Fit Center 4469 is at 8.202781 -1.398903 0.926198 ESP Fit Center 4470 is at 8.514928 -1.122365 0.926198 ESP Fit Center 4471 is at 8.751824 -0.779162 0.926198 ESP Fit Center 4472 is at 8.899702 -0.389238 0.926198 ESP Fit Center 4473 is at 9.091970 0.024744 0.520381 ESP Fit Center 4474 is at 9.045039 0.441273 0.520381 ESP Fit Center 4475 is at 8.906598 0.836915 0.520381 ESP Fit Center 4476 is at 8.683589 1.191831 0.520381 ESP Fit Center 4477 is at 8.387195 1.488225 0.520381 ESP Fit Center 4478 is at 8.032279 1.711233 0.520381 ESP Fit Center 4479 is at 7.636637 1.849675 0.520381 ESP Fit Center 4480 is at 8.387195 -1.438736 0.520381 ESP Fit Center 4481 is at 8.683589 -1.142342 0.520381 ESP Fit Center 4482 is at 8.906598 -0.787426 0.520381 ESP Fit Center 4483 is at 9.045039 -0.391784 0.520381 ESP Fit Center 4484 is at 9.140109 0.024744 0.093141 ESP Fit Center 4485 is at 9.095220 0.437488 0.093141 ESP Fit Center 4486 is at 8.962654 0.830931 0.093141 ESP Fit Center 4487 is at 8.748607 1.186679 0.093141 ESP Fit Center 4488 is at 8.463090 1.488096 0.093141 ESP Fit Center 4489 is at 8.119453 1.721088 0.093141 ESP Fit Center 4490 is at 7.733763 1.874760 0.093141 ESP Fit Center 4491 is at 8.463090 -1.438607 0.093141 ESP Fit Center 4492 is at 8.748607 -1.137190 0.093141 ESP Fit Center 4493 is at 8.962654 -0.781443 0.093141 ESP Fit Center 4494 is at 9.095220 -0.387999 0.093141 ESP Fit Center 4495 is at 9.091970 0.024744 -0.334099 ESP Fit Center 4496 is at 9.045039 0.441273 -0.334099 ESP Fit Center 4497 is at 8.906598 0.836915 -0.334099 ESP Fit Center 4498 is at 8.683589 1.191831 -0.334099 ESP Fit Center 4499 is at 8.387195 1.488225 -0.334099 ESP Fit Center 4500 is at 8.032279 1.711233 -0.334099 ESP Fit Center 4501 is at 7.636637 1.849675 -0.334099 ESP Fit Center 4502 is at 8.387195 -1.438736 -0.334099 ESP Fit Center 4503 is at 8.683589 -1.142342 -0.334099 ESP Fit Center 4504 is at 8.906598 -0.787426 -0.334099 ESP Fit Center 4505 is at 9.045039 -0.391784 -0.334099 ESP Fit Center 4506 is at 8.949969 0.024744 -0.739916 ESP Fit Center 4507 is at 8.899702 0.438727 -0.739916 ESP Fit Center 4508 is at 8.751824 0.828651 -0.739916 ESP Fit Center 4509 is at 8.514928 1.171854 -0.739916 ESP Fit Center 4510 is at 8.202781 1.448391 -0.739916 ESP Fit Center 4511 is at 7.833526 1.642192 -0.739916 ESP Fit Center 4512 is at 7.428620 1.741992 -0.739916 ESP Fit Center 4513 is at 8.202781 -1.398903 -0.739916 ESP Fit Center 4514 is at 8.514928 -1.122365 -0.739916 ESP Fit Center 4515 is at 8.751824 -0.779162 -0.739916 ESP Fit Center 4516 is at 8.899702 -0.389238 -0.739916 ESP Fit Center 4517 is at 8.721225 0.024744 -1.103960 ESP Fit Center 4518 is at 8.660419 0.447658 -1.103960 ESP Fit Center 4519 is at 8.482928 0.836309 -1.103960 ESP Fit Center 4520 is at 8.203131 1.159213 -1.103960 ESP Fit Center 4521 is at 7.843695 1.390208 -1.103960 ESP Fit Center 4522 is at 8.203131 -1.109724 -1.103960 ESP Fit Center 4523 is at 8.482928 -0.786820 -1.103960 ESP Fit Center 4524 is at 8.660419 -0.398169 -1.103960 ESP Fit Center 4525 is at 8.417209 0.024744 -1.407976 ESP Fit Center 4526 is at 8.345015 0.434177 -1.407976 ESP Fit Center 4527 is at 8.137141 0.794226 -1.407976 ESP Fit Center 4528 is at 7.818659 1.061464 -1.407976 ESP Fit Center 4529 is at 8.137141 -0.744737 -1.407976 ESP Fit Center 4530 is at 8.345015 -0.384688 -1.407976 ESP Fit Center 4531 is at 8.053166 0.024744 -1.636719 ESP Fit Center 4532 is at 7.941557 0.441273 -1.636719 ESP Fit Center 4533 is at 7.636637 0.746193 -1.636719 ESP Fit Center 4534 is at 7.941557 -0.391784 -1.636719 ESP Fit Center 4535 is at 5.802107 2.319442 1.982949 ESP Fit Center 4536 is at 6.309935 2.365970 1.840948 ESP Fit Center 4537 is at 6.005015 2.670890 1.840948 ESP Fit Center 4538 is at 5.588487 2.782498 1.840948 ESP Fit Center 4539 is at 5.171958 2.670890 1.840948 ESP Fit Center 4540 is at 6.785587 1.949442 1.612204 ESP Fit Center 4541 is at 6.713393 2.358874 1.612204 ESP Fit Center 4542 is at 6.505519 2.718923 1.612204 ESP Fit Center 4543 is at 6.187037 2.986161 1.612204 ESP Fit Center 4544 is at 5.796361 3.128355 1.612204 ESP Fit Center 4545 is at 5.380613 3.128355 1.612204 ESP Fit Center 4546 is at 4.989937 2.986161 1.612204 ESP Fit Center 4547 is at 4.671455 2.718923 1.612204 ESP Fit Center 4548 is at 7.089603 1.949442 1.308188 ESP Fit Center 4549 is at 7.028798 2.372355 1.308188 ESP Fit Center 4550 is at 6.851306 2.761006 1.308188 ESP Fit Center 4551 is at 6.571509 3.083910 1.308188 ESP Fit Center 4552 is at 6.212073 3.314905 1.308188 ESP Fit Center 4553 is at 5.802118 3.435279 1.308188 ESP Fit Center 4554 is at 5.374856 3.435279 1.308188 ESP Fit Center 4555 is at 4.964901 3.314905 1.308188 ESP Fit Center 4556 is at 4.605465 3.083910 1.308188 ESP Fit Center 4557 is at 7.318347 1.949442 0.944144 ESP Fit Center 4558 is at 7.268081 2.363424 0.944144 ESP Fit Center 4559 is at 7.120202 2.753348 0.944144 ESP Fit Center 4560 is at 6.883306 3.096551 0.944144 ESP Fit Center 4561 is at 6.571159 3.373089 0.944144 ESP Fit Center 4562 is at 6.201904 3.566889 0.944144 ESP Fit Center 4563 is at 5.796998 3.666689 0.944144 ESP Fit Center 4564 is at 5.379975 3.666689 0.944144 ESP Fit Center 4565 is at 4.975070 3.566889 0.944144 ESP Fit Center 4566 is at 4.605814 3.373089 0.944144 ESP Fit Center 4567 is at 4.293668 3.096551 0.944144 ESP Fit Center 4568 is at 7.460348 1.949442 0.538328 ESP Fit Center 4569 is at 7.413417 2.365970 0.538328 ESP Fit Center 4570 is at 7.274976 2.761612 0.538328 ESP Fit Center 4571 is at 7.051967 3.116528 0.538328 ESP Fit Center 4572 is at 6.755573 3.412922 0.538328 ESP Fit Center 4573 is at 6.400657 3.635931 0.538328 ESP Fit Center 4574 is at 6.005015 3.774372 0.538328 ESP Fit Center 4575 is at 5.588487 3.821303 0.538328 ESP Fit Center 4576 is at 5.171958 3.774372 0.538328 ESP Fit Center 4577 is at 4.776317 3.635931 0.538328 ESP Fit Center 4578 is at 4.421400 3.412922 0.538328 ESP Fit Center 4579 is at 7.508487 1.949442 0.111088 ESP Fit Center 4580 is at 7.463598 2.362185 0.111088 ESP Fit Center 4581 is at 7.331032 2.755629 0.111088 ESP Fit Center 4582 is at 7.116986 3.111376 0.111088 ESP Fit Center 4583 is at 6.831469 3.412793 0.111088 ESP Fit Center 4584 is at 6.487831 3.645785 0.111088 ESP Fit Center 4585 is at 6.102141 3.799457 0.111088 ESP Fit Center 4586 is at 5.692434 3.866626 0.111088 ESP Fit Center 4587 is at 5.277865 3.844148 0.111088 ESP Fit Center 4588 is at 4.877822 3.733077 0.111088 ESP Fit Center 4589 is at 4.511008 3.538604 0.111088 ESP Fit Center 4590 is at 4.194576 3.269824 0.111088 ESP Fit Center 4591 is at 7.460348 1.949442 -0.316153 ESP Fit Center 4592 is at 7.413417 2.365970 -0.316153 ESP Fit Center 4593 is at 7.274976 2.761612 -0.316153 ESP Fit Center 4594 is at 7.051967 3.116528 -0.316153 ESP Fit Center 4595 is at 6.755573 3.412922 -0.316153 ESP Fit Center 4596 is at 6.400657 3.635931 -0.316153 ESP Fit Center 4597 is at 6.005015 3.774372 -0.316153 ESP Fit Center 4598 is at 5.588487 3.821303 -0.316153 ESP Fit Center 4599 is at 5.171958 3.774372 -0.316153 ESP Fit Center 4600 is at 4.776317 3.635931 -0.316153 ESP Fit Center 4601 is at 4.421400 3.412922 -0.316153 ESP Fit Center 4602 is at 7.318347 1.949442 -0.721969 ESP Fit Center 4603 is at 7.268081 2.363424 -0.721969 ESP Fit Center 4604 is at 7.120202 2.753348 -0.721969 ESP Fit Center 4605 is at 6.883306 3.096551 -0.721969 ESP Fit Center 4606 is at 6.571159 3.373089 -0.721969 ESP Fit Center 4607 is at 6.201904 3.566889 -0.721969 ESP Fit Center 4608 is at 5.796998 3.666689 -0.721969 ESP Fit Center 4609 is at 5.379975 3.666689 -0.721969 ESP Fit Center 4610 is at 4.975070 3.566889 -0.721969 ESP Fit Center 4611 is at 4.605814 3.373089 -0.721969 ESP Fit Center 4612 is at 4.293668 3.096551 -0.721969 ESP Fit Center 4613 is at 7.089603 1.949442 -1.086013 ESP Fit Center 4614 is at 7.028798 2.372355 -1.086013 ESP Fit Center 4615 is at 6.851306 2.761006 -1.086013 ESP Fit Center 4616 is at 6.571509 3.083910 -1.086013 ESP Fit Center 4617 is at 6.212073 3.314905 -1.086013 ESP Fit Center 4618 is at 5.802118 3.435279 -1.086013 ESP Fit Center 4619 is at 5.374856 3.435279 -1.086013 ESP Fit Center 4620 is at 4.964901 3.314905 -1.086013 ESP Fit Center 4621 is at 4.605465 3.083910 -1.086013 ESP Fit Center 4622 is at 6.713393 2.358874 -1.390029 ESP Fit Center 4623 is at 6.505519 2.718923 -1.390029 ESP Fit Center 4624 is at 6.187037 2.986161 -1.390029 ESP Fit Center 4625 is at 5.796361 3.128355 -1.390029 ESP Fit Center 4626 is at 5.380613 3.128355 -1.390029 ESP Fit Center 4627 is at 4.989937 2.986161 -1.390029 ESP Fit Center 4628 is at 6.309935 2.365970 -1.618773 ESP Fit Center 4629 is at 6.005015 2.670890 -1.618773 ESP Fit Center 4630 is at 5.588487 2.782498 -1.618773 ESP Fit Center 4631 is at 5.171958 2.670890 -1.618773 ESP Fit Center 4632 is at 3.240437 2.358723 1.783628 ESP Fit Center 4633 is at 2.823908 2.247115 1.783628 ESP Fit Center 4634 is at 2.518988 1.942195 1.783628 ESP Fit Center 4635 is at 2.407380 1.525666 1.783628 ESP Fit Center 4636 is at 3.448311 2.704580 1.554884 ESP Fit Center 4637 is at 3.032562 2.704580 1.554884 ESP Fit Center 4638 is at 3.864023 2.891130 1.250868 ESP Fit Center 4639 is at 3.454068 3.011504 1.250868 ESP Fit Center 4640 is at 3.026805 3.011504 1.250868 ESP Fit Center 4641 is at 3.853853 3.143114 0.886824 ESP Fit Center 4642 is at 3.448948 3.242914 0.886824 ESP Fit Center 4643 is at 3.031925 3.242914 0.886824 ESP Fit Center 4644 is at 4.052607 3.212156 0.481007 ESP Fit Center 4645 is at 3.656965 3.350597 0.481007 ESP Fit Center 4646 is at 3.240437 3.397528 0.481007 ESP Fit Center 4647 is at 4.139781 3.222010 0.053767 ESP Fit Center 4648 is at 3.754091 3.375682 0.053767 ESP Fit Center 4649 is at 3.344383 3.442851 0.053767 ESP Fit Center 4650 is at 4.052607 3.212156 -0.373473 ESP Fit Center 4651 is at 3.656965 3.350597 -0.373473 ESP Fit Center 4652 is at 3.240437 3.397528 -0.373473 ESP Fit Center 4653 is at 3.853853 3.143114 -0.779289 ESP Fit Center 4654 is at 3.448948 3.242914 -0.779289 ESP Fit Center 4655 is at 3.031925 3.242914 -0.779289 ESP Fit Center 4656 is at 3.864023 2.891130 -1.143333 ESP Fit Center 4657 is at 3.454068 3.011504 -1.143333 ESP Fit Center 4658 is at 3.026805 3.011504 -1.143333 ESP Fit Center 4659 is at 3.448311 2.704580 -1.447349 ESP Fit Center 4660 is at 3.032562 2.704580 -1.447349 ESP Fit Center 4661 is at 3.240437 2.358723 -1.676093 ESP Fit Center 4662 is at 2.823908 2.247115 -1.676093 ESP Fit Center 4663 is at 2.518988 1.942195 -1.676093 ESP Fit Center 4664 is at 2.407380 1.525666 -1.676093 ESP Fit Center 4665 is at -6.798327 -2.264897 -0.575445 ESP Fit Center 4666 is at -3.483230 -1.842127 -2.558790 ESP Fit Center 4667 is at -4.005055 -1.776779 -2.720925 ESP Fit Center 4668 is at -3.699663 -1.471387 -2.720925 ESP Fit Center 4669 is at -4.211041 -1.420000 -2.819831 ESP Fit Center 4670 is at -4.943196 -1.118234 3.991042 ESP Fit Center 4671 is at -4.520823 -1.118234 3.957800 ESP Fit Center 4672 is at -4.732009 -0.752449 3.957800 ESP Fit Center 4673 is at -5.154382 -0.752449 3.957800 ESP Fit Center 4674 is at -5.365569 -1.118234 3.957800 ESP Fit Center 4675 is at -5.154382 -1.484020 3.957800 ESP Fit Center 4676 is at -4.732009 -1.484020 3.957800 ESP Fit Center 4677 is at -4.108850 -1.118234 3.858894 ESP Fit Center 4678 is at -4.220631 -0.701061 3.858894 ESP Fit Center 4679 is at -5.360369 -0.395670 3.858894 ESP Fit Center 4680 is at -5.665761 -0.701061 3.858894 ESP Fit Center 4681 is at -5.777542 -1.118234 3.858894 ESP Fit Center 4682 is at -5.665761 -1.535407 3.858894 ESP Fit Center 4683 is at -5.360369 -1.840799 3.858894 ESP Fit Center 4684 is at -3.791345 -0.698995 3.696759 ESP Fit Center 4685 is at -5.882194 -0.330322 3.696759 ESP Fit Center 4686 is at -6.095047 -0.698995 3.696759 ESP Fit Center 4687 is at -6.168970 -1.118234 3.696759 ESP Fit Center 4688 is at -6.095047 -1.537474 3.696759 ESP Fit Center 4689 is at -5.882194 -1.906147 3.696759 ESP Fit Center 4690 is at -5.556083 -2.179786 3.696759 ESP Fit Center 4691 is at -3.410252 -0.707483 3.475387 ESP Fit Center 4692 is at -6.317596 -0.324724 3.475387 ESP Fit Center 4693 is at -6.476140 -0.707483 3.475387 ESP Fit Center 4694 is at -6.530216 -1.118234 3.475387 ESP Fit Center 4695 is at -6.476140 -1.528985 3.475387 ESP Fit Center 4696 is at -6.317596 -1.911744 3.475387 ESP Fit Center 4697 is at -6.065389 -2.240427 3.475387 ESP Fit Center 4698 is at -5.736706 -2.492634 3.475387 ESP Fit Center 4699 is at -3.081875 -0.693400 3.200230 ESP Fit Center 4700 is at -6.435859 0.072125 3.200230 ESP Fit Center 4701 is at -6.663315 -0.289869 3.200230 ESP Fit Center 4702 is at -6.804517 -0.693400 3.200230 ESP Fit Center 4703 is at -6.435859 -2.308594 3.200230 ESP Fit Center 4704 is at -6.133555 -2.610898 3.200230 ESP Fit Center 4705 is at -2.798324 -0.704844 2.878062 ESP Fit Center 4706 is at -2.915319 -0.306395 2.878062 ESP Fit Center 4707 is at -6.660208 0.232039 2.878062 ESP Fit Center 4708 is at -6.884720 -0.117309 2.878062 ESP Fit Center 4709 is at -6.373638 -2.769053 2.878062 ESP Fit Center 4710 is at -6.035369 -3.009933 2.878062 ESP Fit Center 4711 is at -6.786083 0.428131 2.516816 ESP Fit Center 4712 is at -6.146055 -3.201647 2.516816 ESP Fit Center 4713 is at -6.969592 0.458973 2.125387 ESP Fit Center 4714 is at -5.974691 -3.469805 2.125387 ESP Fit Center 4715 is at -6.828879 0.767449 1.713415 ESP Fit Center 4716 is at -6.153879 -3.494334 1.713415 ESP Fit Center 4717 is at -5.767270 -3.654472 1.713415 ESP Fit Center 4718 is at -6.739575 0.897459 1.291042 ESP Fit Center 4719 is at -7.026217 0.599620 1.291042 ESP Fit Center 4720 is at -6.047681 -3.581994 1.291042 ESP Fit Center 4721 is at -5.658646 -3.721719 1.291042 ESP Fit Center 4722 is at -6.153879 -3.494334 0.868669 ESP Fit Center 4723 is at -5.767270 -3.654472 0.868669 ESP Fit Center 4724 is at -5.360369 -3.752161 0.868669 ESP Fit Center 4725 is at -4.943196 -3.784993 0.868669 ESP Fit Center 4726 is at -5.974691 -3.469805 0.456696 ESP Fit Center 4727 is at -5.236912 1.829213 0.867314 ESP Fit Center 4728 is at -5.660851 1.754462 0.867314 ESP Fit Center 4729 is at -6.056122 1.583958 0.867314 ESP Fit Center 4730 is at -6.401419 1.326894 0.867314 ESP Fit Center 4731 is at -6.678125 0.997129 0.867314 ESP Fit Center 4732 is at -5.657902 2.020639 0.538874 ESP Fit Center 4733 is at -6.058192 1.872388 0.538874 ESP Fit Center 4734 is at -6.420446 1.646593 0.538874 ESP Fit Center 4735 is at -6.729832 1.352500 0.538874 ESP Fit Center 4736 is at -5.342043 2.276230 0.172837 ESP Fit Center 4737 is at -5.760656 2.197978 0.172837 ESP Fit Center 4738 is at -6.157763 2.044138 0.172837 ESP Fit Center 4739 is at -6.519840 1.819949 0.172837 ESP Fit Center 4740 is at -6.834557 1.533046 0.172837 ESP Fit Center 4741 is at -5.553314 2.384102 -0.220812 ESP Fit Center 4742 is at -5.964627 2.273890 -0.220812 ESP Fit Center 4743 is at -6.350555 2.093929 -0.220812 ESP Fit Center 4744 is at -6.699369 1.849687 -0.220812 ESP Fit Center 4745 is at -5.448102 2.469378 -0.631335 ESP Fit Center 4746 is at -5.864503 2.379636 -0.631335 ESP Fit Center 4747 is at -6.259749 2.220813 -0.631335 ESP Fit Center 4748 is at -6.622468 1.997479 -0.631335 ESP Fit Center 4749 is at -5.022524 2.487456 -1.047535 ESP Fit Center 4750 is at -5.448102 2.469378 -1.047535 ESP Fit Center 4751 is at -5.864503 2.379636 -1.047535 ESP Fit Center 4752 is at -6.259749 2.220813 -1.047535 ESP Fit Center 4753 is at -6.622468 1.997479 -1.047535 ESP Fit Center 4754 is at -4.704907 2.384102 -1.458059 ESP Fit Center 4755 is at -5.129110 2.421214 -1.458059 ESP Fit Center 4756 is at -5.553314 2.384102 -1.458059 ESP Fit Center 4757 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ESP Fit Center 4866 is at 0.406950 -0.689391 -2.627110 ESP Fit Center 4867 is at 0.106758 -0.272218 -2.726016 ESP Fit Center 4868 is at -0.526802 -0.638003 -2.726016 ESP Fit Center 4869 is at -0.104428 -0.638003 -2.726016 ESP Fit Center 4870 is at -0.315615 -0.272218 -2.759257 ESP Fit Center 4871 is at -0.719664 -1.479675 2.598054 ESP Fit Center 4872 is at -0.297291 -1.479675 2.564812 ESP Fit Center 4873 is at -0.508477 -1.113889 2.564812 ESP Fit Center 4874 is at -0.930850 -1.113889 2.564812 ESP Fit Center 4875 is at -1.142037 -1.479675 2.564812 ESP Fit Center 4876 is at -0.930850 -1.845460 2.564812 ESP Fit Center 4877 is at -0.508477 -1.845460 2.564812 ESP Fit Center 4878 is at 0.114682 -1.479675 2.465906 ESP Fit Center 4879 is at -1.442229 -1.062502 2.465906 ESP Fit Center 4880 is at -1.136837 -2.202239 2.465906 ESP Fit Center 4881 is at -0.719664 -2.314020 2.465906 ESP Fit Center 4882 is at -0.302491 -2.202239 2.465906 ESP Fit Center 4883 is at 0.002901 -1.896847 2.465906 ESP Fit Center 4884 is at 0.506110 -1.479675 2.303771 ESP Fit Center 4885 is at -1.658661 -0.691762 2.303771 ESP Fit Center 4886 is at -0.932517 -2.686827 2.303771 ESP Fit Center 4887 is at -0.506810 -2.686827 2.303771 ESP Fit Center 4888 is at -0.106777 -2.541226 2.303771 ESP Fit Center 4889 is at 0.219334 -2.267587 2.303771 ESP Fit Center 4890 is at 0.432187 -1.898914 2.303771 ESP Fit Center 4891 is at -1.130415 -3.012618 2.082399 ESP Fit Center 4892 is at -0.719664 -3.066695 2.082399 ESP Fit Center 4893 is at -0.308913 -3.012618 2.082399 ESP Fit Center 4894 is at 0.073846 -2.854074 2.082399 ESP Fit Center 4895 is at -0.719664 -3.388863 1.807242 ESP Fit Center 4896 is at -0.294829 -3.340996 1.807242 ESP Fit Center 4897 is at 0.108702 -3.199794 1.807242 ESP Fit Center 4898 is at -0.615728 -3.661546 1.485074 ESP Fit Center 4899 is at -0.204685 -3.602447 1.485074 ESP Fit Center 4900 is at -0.301915 -3.848844 1.123828 ESP Fit Center 4901 is at -0.089293 -3.968952 0.732399 ESP Fit Center 4902 is 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is at -1.873015 -1.415625 2.530602 ESP Fit Center 4939 is at -2.295388 -1.415625 2.530602 ESP Fit Center 4940 is at -2.295388 -2.147197 2.530602 ESP Fit Center 4941 is at -1.873015 -2.147197 2.530602 ESP Fit Center 4942 is at -1.667029 -1.058846 2.431696 ESP Fit Center 4943 is at -2.084202 -0.947065 2.431696 ESP Fit Center 4944 is at -2.084202 -2.615757 2.431696 ESP Fit Center 4945 is at -1.667029 -2.503976 2.431696 ESP Fit Center 4946 is at -1.361637 -2.198584 2.431696 ESP Fit Center 4947 is at -1.471315 -2.842963 2.269561 ESP Fit Center 4948 is at -3.236053 -2.200650 -2.541874 ESP Fit Center 4949 is at -1.471315 -2.842963 -2.541874 ESP Fit Center 4950 is at -1.145204 -2.569323 -2.541874 ESP Fit Center 4951 is at -1.667029 -1.058846 -2.704009 ESP Fit Center 4952 is at -2.084202 -0.947065 -2.704009 ESP Fit Center 4953 is at -2.918548 -1.781411 -2.704009 ESP Fit Center 4954 is at -2.806767 -2.198584 -2.704009 ESP Fit Center 4955 is at -2.501375 -2.503976 -2.704009 ESP Fit Center 4956 is 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-4.514934 0.835842 ESP Fit Center 5011 is at -3.844685 -4.801837 0.835842 ESP Fit Center 5012 is at -3.482608 -5.026026 0.835842 ESP Fit Center 5013 is at -3.085501 -5.179866 0.835842 ESP Fit Center 5014 is at -2.666888 -5.258118 0.835842 ESP Fit Center 5015 is at -2.241024 -5.258118 0.835842 ESP Fit Center 5016 is at -1.822410 -5.179866 0.835842 ESP Fit Center 5017 is at -1.425304 -5.026026 0.835842 ESP Fit Center 5018 is at -1.063227 -4.801837 0.835842 ESP Fit Center 5019 is at -0.748509 -4.514934 0.835842 ESP Fit Center 5020 is at -0.491868 -4.175087 0.835842 ESP Fit Center 5021 is at -4.569560 -4.181658 0.442193 ESP Fit Center 5022 is at -4.325317 -4.530473 0.442193 ESP Fit Center 5023 is at -4.024214 -4.831575 0.442193 ESP Fit Center 5024 is at -3.675400 -5.075818 0.442193 ESP Fit Center 5025 is at -3.289473 -5.255779 0.442193 ESP Fit Center 5026 is at -2.878159 -5.365990 0.442193 ESP Fit Center 5027 is at -2.453956 -5.403103 0.442193 ESP Fit Center 5028 is at -2.029753 -5.365990 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5334 is at -6.534300 -3.064963 2.482043 ESP Fit Center 5335 is at -7.354512 0.138566 2.108607 ESP Fit Center 5336 is at -7.633667 -0.171466 2.108607 ESP Fit Center 5337 is at -7.842261 -0.532763 2.108607 ESP Fit Center 5338 is at -7.971180 -0.929534 2.108607 ESP Fit Center 5339 is at -8.014788 -1.344439 2.108607 ESP Fit Center 5340 is at -7.971180 -1.759343 2.108607 ESP Fit Center 5341 is at -7.842261 -2.156114 2.108607 ESP Fit Center 5342 is at -7.633667 -2.517411 2.108607 ESP Fit Center 5343 is at -7.354512 -2.827443 2.108607 ESP Fit Center 5344 is at -7.016998 -3.072661 2.108607 ESP Fit Center 5345 is at -6.635877 -3.242348 2.108607 ESP Fit Center 5346 is at -7.196182 0.417027 1.703406 ESP Fit Center 5347 is at -7.517212 0.153564 1.703406 ESP Fit Center 5348 is at -7.780674 -0.167465 1.703406 ESP Fit Center 5349 is at -7.976444 -0.533725 1.703406 ESP Fit Center 5350 is at -8.096998 -0.931140 1.703406 ESP Fit Center 5351 is at -8.137705 -1.344439 1.703406 ESP Fit Center 5352 is at 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-3.215053 1.282011 ESP Fit Center 5371 is at -6.725675 -3.385640 1.282011 ESP Fit Center 5372 is at -6.326609 -3.482453 1.282011 ESP Fit Center 5373 is at -7.517212 0.153564 0.860616 ESP Fit Center 5374 is at -7.780674 -0.167465 0.860616 ESP Fit Center 5375 is at -7.976444 -0.533725 0.860616 ESP Fit Center 5376 is at -8.096998 -0.931140 0.860616 ESP Fit Center 5377 is at -8.137705 -1.344439 0.860616 ESP Fit Center 5378 is at -8.096998 -1.757737 0.860616 ESP Fit Center 5379 is at -7.976444 -2.155152 0.860616 ESP Fit Center 5380 is at -7.780674 -2.521412 0.860616 ESP Fit Center 5381 is at -7.517212 -2.842442 0.860616 ESP Fit Center 5382 is at -7.196182 -3.105904 0.860616 ESP Fit Center 5383 is at -6.829922 -3.301674 0.860616 ESP Fit Center 5384 is at -6.432507 -3.422228 0.860616 ESP Fit Center 5385 is at -7.842261 -0.532763 0.455415 ESP Fit Center 5386 is at -7.971180 -0.929534 0.455415 ESP Fit Center 5387 is at -8.014788 -1.344439 0.455415 ESP Fit Center 5388 is at -7.971180 -1.759343 0.455415 ESP Fit Center 5389 is at -7.842261 -2.156114 0.455415 ESP Fit Center 5390 is at -7.633667 -2.517411 0.455415 ESP Fit Center 5391 is at -7.354512 -2.827443 0.455415 ESP Fit Center 5392 is at -7.016998 -3.072661 0.455415 ESP Fit Center 5393 is at -6.635877 -3.242348 0.455415 ESP Fit Center 5394 is at -7.803039 -1.552938 0.081979 ESP Fit Center 5395 is at -7.706872 -1.958698 0.081979 ESP Fit Center 5396 is at -7.519723 -2.331343 0.081979 ESP Fit Center 5397 is at -7.251681 -2.650783 0.081979 ESP Fit Center 5398 is at -6.917196 -2.899798 0.081979 ESP Fit Center 5399 is at -6.534300 -3.064963 0.081979 ESP Fit Center 5400 is at -7.420112 -1.952937 -0.245340 ESP Fit Center 5401 is at -7.203992 -2.308331 -0.245340 ESP Fit Center 5402 is at -6.900002 -2.592238 -0.245340 ESP Fit Center 5403 is at 1.974634 -0.963425 2.665221 ESP Fit Center 5404 is at 2.397007 -0.963425 2.631979 ESP Fit Center 5405 is at 2.185821 -0.597640 2.631979 ESP Fit Center 5406 is at 1.763448 -0.597640 2.631979 ESP Fit Center 5407 is at 1.552261 -0.963425 2.631979 ESP Fit Center 5408 is at 1.763448 -1.329211 2.631979 ESP Fit Center 5409 is at 2.185821 -1.329211 2.631979 ESP Fit Center 5410 is at 2.391807 -0.240861 2.533074 ESP Fit Center 5411 is at 1.974634 -0.129079 2.533074 ESP Fit Center 5412 is at 1.140288 -0.963425 2.533074 ESP Fit Center 5413 is at 1.252070 -1.380598 2.533074 ESP Fit Center 5414 is at 1.557461 -1.685990 2.533074 ESP Fit Center 5415 is at 1.974634 -1.797771 2.533074 ESP Fit Center 5416 is at 2.391807 -1.685990 2.533074 ESP Fit Center 5417 is at 2.697199 -1.380598 2.533074 ESP Fit Center 5418 is at 0.822783 -1.382665 2.370939 ESP Fit Center 5419 is at 1.035637 -1.751338 2.370939 ESP Fit Center 5420 is at 2.587521 -2.024977 2.370939 ESP Fit Center 5421 is at 0.822783 -1.382665 -2.440497 ESP Fit Center 5422 is at 2.587521 -2.024977 -2.440497 ESP Fit Center 5423 is at 2.913632 -1.751338 -2.440497 ESP Fit Center 5424 is at 2.697199 -0.546252 -2.602632 ESP Fit Center 5425 is at 2.391807 -0.240861 -2.602632 ESP Fit Center 5426 is at 1.974634 -0.129079 -2.602632 ESP Fit Center 5427 is at 1.140288 -0.963425 -2.602632 ESP Fit Center 5428 is at 1.252070 -1.380598 -2.602632 ESP Fit Center 5429 is at 1.557461 -1.685990 -2.602632 ESP Fit Center 5430 is at 1.974634 -1.797771 -2.602632 ESP Fit Center 5431 is at 2.391807 -1.685990 -2.602632 ESP Fit Center 5432 is at 2.697199 -1.380598 -2.602632 ESP Fit Center 5433 is at 2.397007 -0.963425 -2.701538 ESP Fit Center 5434 is at 2.185821 -0.597640 -2.701538 ESP Fit Center 5435 is at 1.763448 -0.597640 -2.701538 ESP Fit Center 5436 is at 1.552261 -0.963425 -2.701538 ESP Fit Center 5437 is at 1.763448 -1.329211 -2.701538 ESP Fit Center 5438 is at 2.185821 -1.329211 -2.701538 ESP Fit Center 5439 is at 1.974634 -0.963425 -2.734779 ESP Fit Center 5440 is at -4.796120 2.343284 1.136502 ESP Fit Center 5441 is at -4.983269 1.970639 1.136502 ESP Fit Center 5442 is at -4.910063 2.529352 0.763066 ESP Fit Center 5443 is at -5.118658 2.168055 0.763066 ESP Fit Center 5444 is at -4.793608 2.854383 0.357865 ESP Fit Center 5445 is at -5.057070 2.533353 0.357865 ESP Fit Center 5446 is at -4.993480 2.691603 -0.063530 ESP Fit Center 5447 is at -4.793608 2.854383 -0.484925 ESP Fit Center 5448 is at -5.057070 2.533353 -0.484925 ESP Fit Center 5449 is at -4.910063 2.529352 -0.890126 ESP Fit Center 5450 is at -4.480388 2.320272 -1.590881 ESP Fit Center 5451 is at -0.646471 2.788842 4.164743 ESP Fit Center 5452 is at -0.227634 2.788842 4.143502 ESP Fit Center 5453 is at -0.437053 3.151565 4.143502 ESP Fit Center 5454 is at -0.855889 3.151565 4.143502 ESP Fit Center 5455 is at -1.065308 2.788842 4.143502 ESP Fit Center 5456 is at -0.855889 2.426118 4.143502 ESP Fit Center 5457 is at -0.437053 2.426118 4.143502 ESP Fit Center 5458 is at 0.186905 2.788842 4.079997 ESP Fit Center 5459 is at 0.075254 3.205530 4.079997 ESP Fit Center 5460 is at -0.229783 3.510566 4.079997 ESP Fit Center 5461 is at -0.646471 3.622217 4.079997 ESP Fit Center 5462 is at -1.063159 3.510566 4.079997 ESP Fit Center 5463 is at -1.368196 3.205530 4.079997 ESP Fit Center 5464 is at -1.479847 2.788842 4.079997 ESP Fit Center 5465 is at -1.368196 2.372154 4.079997 ESP Fit Center 5466 is at -1.063159 2.067117 4.079997 ESP Fit Center 5467 is at -0.646471 1.955466 4.079997 ESP Fit Center 5468 is at -0.229783 2.067117 4.079997 ESP Fit Center 5469 is at 0.075254 2.372154 4.079997 ESP Fit Center 5470 is at 0.592892 2.788842 3.974879 ESP Fit Center 5471 is at 0.518150 3.212729 3.974879 ESP Fit Center 5472 is at 0.302936 3.585489 3.974879 ESP Fit Center 5473 is at -0.026789 3.862162 3.974879 ESP Fit Center 5474 is at -0.431258 4.009376 3.974879 ESP Fit Center 5475 is at -0.861684 4.009376 3.974879 ESP Fit Center 5476 is at -1.266153 3.862162 3.974879 ESP Fit Center 5477 is at -1.595878 3.585489 3.974879 ESP Fit Center 5478 is at -1.811092 3.212729 3.974879 ESP Fit Center 5479 is at -1.885834 2.788842 3.974879 ESP Fit Center 5480 is at -1.811092 2.364954 3.974879 ESP Fit Center 5481 is at -1.595878 1.992194 3.974879 ESP Fit Center 5482 is at -1.266153 1.715521 3.974879 ESP Fit Center 5483 is at -0.861684 1.568307 3.974879 ESP Fit Center 5484 is at -0.431258 1.568307 3.974879 ESP Fit Center 5485 is at -0.026789 1.715521 3.974879 ESP Fit Center 5486 is at 0.302936 1.992194 3.974879 ESP Fit Center 5487 is at 0.518150 2.364954 3.974879 ESP Fit Center 5488 is at 0.986162 2.788842 3.829228 ESP Fit Center 5489 is at 0.930532 3.211398 3.829228 ESP Fit Center 5490 is at 0.767431 3.605158 3.829228 ESP Fit Center 5491 is at 0.507975 3.943288 3.829228 ESP Fit Center 5492 is at 0.169846 4.202743 3.829228 ESP Fit Center 5493 is at -0.223914 4.365844 3.829228 ESP Fit Center 5494 is at -0.646471 4.421475 3.829228 ESP Fit Center 5495 is at -1.069028 4.365844 3.829228 ESP Fit Center 5496 is at -1.462788 4.202743 3.829228 ESP Fit Center 5497 is at -1.800917 3.943288 3.829228 ESP Fit Center 5498 is at -2.060373 3.605158 3.829228 ESP Fit Center 5499 is at -2.223474 3.211398 3.829228 ESP Fit Center 5500 is at -2.279104 2.788842 3.829228 ESP Fit Center 5501 is at -2.223474 2.366285 3.829228 ESP Fit Center 5502 is at -2.060373 1.972525 3.829228 ESP Fit Center 5503 is at -1.800917 1.634396 3.829228 ESP Fit Center 5504 is at -1.462788 1.374940 3.829228 ESP Fit Center 5505 is at -1.069028 1.211839 3.829228 ESP Fit Center 5506 is at -0.646471 1.156208 3.829228 ESP Fit Center 5507 is at -0.223914 1.211839 3.829228 ESP Fit Center 5508 is at 0.169846 1.374940 3.829228 ESP Fit Center 5509 is at 0.507975 1.634396 3.829228 ESP Fit Center 5510 is at 0.767431 1.972525 3.829228 ESP Fit Center 5511 is at 0.930532 2.366285 3.829228 ESP Fit Center 5512 is at 1.362679 2.788842 3.644538 ESP Fit Center 5513 is at 1.318774 3.206567 3.644538 ESP Fit Center 5514 is at 1.188979 3.606037 3.644538 ESP Fit Center 5515 is at 0.978966 3.969790 3.644538 ESP Fit Center 5516 is at 0.697913 4.281931 3.644538 ESP Fit Center 5517 is at 0.358104 4.528817 3.644538 ESP Fit Center 5518 is at -0.025609 4.699657 3.644538 ESP Fit Center 5519 is at -0.436458 4.786985 3.644538 ESP Fit Center 5520 is at -0.856484 4.786985 3.644538 ESP Fit Center 5521 is at -1.267332 4.699657 3.644538 ESP Fit Center 5522 is at -1.651046 4.528817 3.644538 ESP Fit Center 5523 is at -1.990855 4.281931 3.644538 ESP Fit Center 5524 is at -2.271908 3.969790 3.644538 ESP Fit Center 5525 is at -2.481921 3.606037 3.644538 ESP Fit Center 5526 is at -2.611716 3.206567 3.644538 ESP Fit Center 5527 is at -2.655621 2.788842 3.644538 ESP Fit Center 5528 is at -2.611716 2.371116 3.644538 ESP Fit Center 5529 is at -2.481921 1.971647 3.644538 ESP Fit Center 5530 is at -2.271908 1.607893 3.644538 ESP Fit Center 5531 is at -1.990855 1.295752 3.644538 ESP Fit Center 5532 is at -1.651046 1.048867 3.644538 ESP Fit Center 5533 is at -1.267332 0.878026 3.644538 ESP Fit Center 5534 is at -0.856484 0.790698 3.644538 ESP Fit Center 5535 is at -0.436458 0.790698 3.644538 ESP Fit Center 5536 is at -0.025609 0.878026 3.644538 ESP Fit Center 5537 is at 0.358104 1.048867 3.644538 ESP Fit Center 5538 is at 0.697913 1.295752 3.644538 ESP Fit Center 5539 is at 0.978966 1.607893 3.644538 ESP Fit Center 5540 is at 1.188979 1.971647 3.644538 ESP Fit Center 5541 is at 1.318774 2.371116 3.644538 ESP Fit Center 5542 is at 1.718579 2.788842 3.422703 ESP Fit Center 5543 is at 1.680572 3.211138 3.422703 ESP Fit Center 5544 is at 1.567772 3.619861 3.422703 ESP Fit Center 5545 is at 1.383804 4.001874 3.422703 ESP Fit Center 5546 is at 1.134581 4.344900 3.422703 ESP Fit Center 5547 is at 0.828114 4.637912 3.422703 ESP Fit Center 5548 is at 0.474252 4.871494 3.422703 ESP Fit Center 5549 is at 0.084370 5.038138 3.422703 ESP Fit Center 5550 is at -0.329003 5.132488 3.422703 ESP Fit Center 5551 is at -0.752579 5.151511 3.422703 ESP Fit Center 5552 is at -1.172744 5.094595 3.422703 ESP Fit Center 5553 is at -1.575995 4.963571 3.422703 ESP Fit Center 5554 is at -1.949370 4.762649 3.422703 ESP Fit Center 5555 is at -2.280869 4.498288 3.422703 ESP Fit Center 5556 is at -2.559837 4.178983 3.422703 ESP Fit Center 5557 is at -2.777308 3.814998 3.422703 ESP Fit Center 5558 is at -2.926292 3.418032 3.422703 ESP Fit Center 5559 is at -3.002000 3.000843 3.422703 ESP Fit Center 5560 is at -3.002000 2.576840 3.422703 ESP Fit Center 5561 is at -2.926292 2.159651 3.422703 ESP Fit Center 5562 is at -2.777308 1.762685 3.422703 ESP Fit Center 5563 is at -2.559837 1.398700 3.422703 ESP Fit Center 5564 is at -2.280869 1.079395 3.422703 ESP Fit Center 5565 is at -1.949370 0.815034 3.422703 ESP Fit Center 5566 is at -1.575995 0.614112 3.422703 ESP Fit Center 5567 is at -1.172744 0.483088 3.422703 ESP Fit Center 5568 is at -0.752579 0.426173 3.422703 ESP Fit Center 5569 is at -0.329003 0.445195 3.422703 ESP Fit Center 5570 is at 0.084370 0.539545 3.422703 ESP Fit Center 5571 is at 0.474252 0.706189 3.422703 ESP Fit Center 5572 is at 0.828114 0.939771 3.422703 ESP Fit Center 5573 is at 1.134581 1.232783 3.422703 ESP Fit Center 5574 is at 1.383804 1.575809 3.422703 ESP Fit Center 5575 is at 1.567772 1.957822 3.422703 ESP Fit Center 5576 is at 1.680572 2.366546 3.422703 ESP Fit Center 5577 is at 2.050211 2.788842 3.166001 ESP Fit Center 5578 is at 2.018607 3.200488 3.166001 ESP Fit Center 5579 is at 1.924536 3.602486 3.166001 ESP Fit Center 5580 is at 1.770203 3.985413 3.166001 ESP Fit Center 5581 is at 1.559225 4.340293 3.166001 ESP Fit Center 5582 is at 1.296547 4.658809 3.166001 ESP Fit Center 5583 is at 0.988326 4.933494 3.166001 ESP Fit Center 5584 is at 0.641788 5.157910 3.166001 ESP Fit Center 5585 is at 0.265053 5.326797 3.166001 ESP Fit Center 5586 is at -0.133047 5.436197 3.166001 ESP Fit Center 5587 is at -0.543181 5.483545 3.166001 ESP Fit Center 5588 is at -0.955736 5.467731 3.166001 ESP Fit Center 5589 is at -1.361042 5.389127 3.166001 ESP Fit Center 5590 is at -1.749599 5.249574 3.166001 ESP Fit Center 5591 is at -2.112300 5.052343 3.166001 ESP Fit Center 5592 is at -2.440643 4.802058 3.166001 ESP Fit Center 5593 is at -2.726932 4.504585 3.166001 ESP Fit Center 5594 is at -2.964457 4.166896 3.166001 ESP Fit Center 5595 is at -3.147650 3.796907 3.166001 ESP Fit Center 5596 is at -3.272218 3.403290 3.166001 ESP Fit Center 5597 is at -3.335240 2.995271 3.166001 ESP Fit Center 5598 is at -3.335240 2.582413 3.166001 ESP Fit Center 5599 is at -3.272218 2.174393 3.166001 ESP Fit Center 5600 is at -3.147650 1.780776 3.166001 ESP Fit Center 5601 is at -2.964457 1.410787 3.166001 ESP Fit Center 5602 is at -2.726932 1.073098 3.166001 ESP Fit Center 5603 is at -2.440643 0.775625 3.166001 ESP Fit Center 5604 is at -2.112300 0.525340 3.166001 ESP Fit Center 5605 is at -1.749599 0.328109 3.166001 ESP Fit Center 5606 is at -1.361042 0.188556 3.166001 ESP Fit Center 5607 is at -0.955736 0.109952 3.166001 ESP Fit Center 5608 is at -0.543181 0.094138 3.166001 ESP Fit Center 5609 is at -0.133047 0.141486 3.166001 ESP Fit Center 5610 is at 0.265053 0.250886 3.166001 ESP Fit Center 5611 is at 0.641788 0.419773 3.166001 ESP Fit Center 5612 is at 0.988326 0.644190 3.166001 ESP Fit Center 5613 is at 1.296547 0.918875 3.166001 ESP Fit Center 5614 is at 1.559225 1.237390 3.166001 ESP Fit Center 5615 is at 1.770203 1.592270 3.166001 ESP Fit Center 5616 is at 1.924536 1.975197 3.166001 ESP Fit Center 5617 is at 2.018607 2.377195 3.166001 ESP Fit Center 5618 is at 2.354171 2.788842 2.877066 ESP Fit Center 5619 is at 2.324969 3.206450 2.877066 ESP Fit Center 5620 is at 2.237931 3.615931 2.877066 ESP Fit Center 5621 is at 2.094752 4.009313 2.877066 ESP Fit Center 5622 is at 1.898218 4.378940 2.877066 ESP Fit Center 5623 is at 1.652154 4.717617 2.877066 ESP Fit Center 5624 is at 1.361351 5.018753 2.877066 ESP Fit Center 5625 is at 1.031467 5.276487 2.877066 ESP Fit Center 5626 is at 0.668924 5.485801 2.877066 ESP Fit Center 5627 is at 0.280778 5.642622 2.877066 ESP Fit Center 5628 is at -0.125415 5.743897 2.877066 ESP Fit Center 5629 is at -0.541750 5.787656 2.877066 ESP Fit Center 5630 is at -0.960123 5.773046 2.877066 ESP Fit Center 5631 is at -1.372392 5.700352 2.877066 ESP Fit Center 5632 is at -1.770531 5.570989 2.877066 ESP Fit Center 5633 is at -2.146792 5.387474 2.877066 ESP Fit Center 5634 is at -2.493851 5.153380 2.877066 ESP Fit Center 5635 is at -2.804952 4.873263 2.877066 ESP Fit Center 5636 is at -3.074041 4.552575 2.877066 ESP Fit Center 5637 is at -3.295881 4.197558 2.877066 ESP Fit Center 5638 is at -3.466152 3.815122 2.877066 ESP Fit Center 5639 is at -3.581542 3.412710 2.877066 ESP Fit Center 5640 is at -3.639804 2.998156 2.877066 ESP Fit Center 5641 is at -3.639804 2.579527 2.877066 ESP Fit Center 5642 is at -3.581542 2.164973 2.877066 ESP Fit Center 5643 is at -3.466152 1.762562 2.877066 ESP Fit Center 5644 is at -3.295881 1.380125 2.877066 ESP Fit Center 5645 is at -3.074041 1.025108 2.877066 ESP Fit Center 5646 is at -2.804952 0.704420 2.877066 ESP Fit Center 5647 is at -2.493851 0.424303 2.877066 ESP Fit Center 5648 is at -2.146792 0.190209 2.877066 ESP Fit Center 5649 is at -1.770531 0.006695 2.877066 ESP Fit Center 5650 is at -1.372392 -0.122669 2.877066 ESP Fit Center 5651 is at -0.960123 -0.195363 2.877066 ESP Fit Center 5652 is at -0.541750 -0.209973 2.877066 ESP Fit Center 5653 is at -0.125415 -0.166214 2.877066 ESP Fit Center 5654 is at 0.280778 -0.064939 2.877066 ESP Fit Center 5655 is at 0.668924 0.091882 2.877066 ESP Fit Center 5656 is at 1.031467 0.301196 2.877066 ESP Fit Center 5657 is at 1.361351 0.558930 2.877066 ESP Fit Center 5658 is at 1.652154 0.860066 2.877066 ESP Fit Center 5659 is at 1.898218 1.198743 2.877066 ESP Fit Center 5660 is at 2.094752 1.568370 2.877066 ESP Fit Center 5661 is at 2.237931 1.961753 2.877066 ESP Fit Center 5662 is at 2.324969 2.371233 2.877066 ESP Fit Center 5663 is at 2.627341 2.788842 2.558861 ESP Fit Center 5664 is at 2.600463 3.207487 2.558861 ESP Fit Center 5665 is at 2.520270 3.619259 2.558861 ESP Fit Center 5666 is at 2.388080 4.017395 2.558861 ESP Fit Center 5667 is at 2.206062 4.395358 2.558861 ESP Fit Center 5668 is at 1.977206 4.746943 2.558861 ESP Fit Center 5669 is at 1.705269 5.066375 2.558861 ESP Fit Center 5670 is at 1.394717 5.348411 2.558861 ESP Fit Center 5671 is at 1.050649 5.588418 2.558861 ESP Fit Center 5672 is at 0.678713 5.782456 2.558861 ESP Fit Center 5673 is at 0.285019 5.927339 2.558861 ESP Fit Center 5674 is at -0.123971 6.020689 2.558861 ESP Fit Center 5675 is at -0.541540 6.060971 2.558861 ESP Fit Center 5676 is at -0.960832 6.047525 2.558861 ESP Fit Center 5677 is at -1.374963 5.980572 2.558861 ESP Fit Center 5678 is at -1.777131 5.861210 2.558861 ESP Fit Center 5679 is at -2.160734 5.691401 2.558861 ESP Fit Center 5680 is at -2.519473 5.473931 2.558861 ESP Fit Center 5681 is at -2.847457 5.212372 2.558861 ESP Fit Center 5682 is at -3.139302 4.911019 2.558861 ESP Fit Center 5683 is at -3.390213 4.574820 2.558861 ESP Fit Center 5684 is at -3.596073 4.209295 2.558861 ESP Fit Center 5685 is at -3.753501 3.820446 2.558861 ESP Fit Center 5686 is at -3.859911 3.414659 2.558861 ESP Fit Center 5687 is at -3.913556 2.998595 2.558861 ESP Fit Center 5688 is at -3.913556 2.579088 2.558861 ESP Fit Center 5689 is at -3.859911 2.163024 2.558861 ESP Fit Center 5690 is at -3.753501 1.757237 2.558861 ESP Fit Center 5691 is at -2.160734 -0.113717 2.558861 ESP Fit Center 5692 is at -1.777131 -0.283527 2.558861 ESP Fit Center 5693 is at -1.374963 -0.402889 2.558861 ESP Fit Center 5694 is at -0.960832 -0.469842 2.558861 ESP Fit Center 5695 is at 1.705269 0.511308 2.558861 ESP Fit Center 5696 is at 1.977206 0.830740 2.558861 ESP Fit Center 5697 is at 2.206062 1.182325 2.558861 ESP Fit Center 5698 is at 2.388080 1.560288 2.558861 ESP Fit Center 5699 is at 2.520270 1.958424 2.558861 ESP Fit Center 5700 is at 2.600463 2.370196 2.558861 ESP Fit Center 5701 is at 2.866916 2.788842 2.214654 ESP Fit Center 5702 is at 2.842256 3.204381 2.214654 ESP Fit Center 5703 is at 2.768622 3.614087 2.214654 ESP Fit Center 5704 is at 2.647047 4.012209 2.214654 ESP Fit Center 5705 is at 2.479239 4.393157 2.214654 ESP Fit Center 5706 is at 2.267552 4.751584 2.214654 ESP Fit Center 5707 is at 2.014959 5.082458 2.214654 ESP Fit Center 5708 is at 1.725006 5.381136 2.214654 ESP Fit Center 5709 is at 1.401762 5.643423 2.214654 ESP Fit Center 5710 is at 1.049765 5.865638 2.214654 ESP Fit Center 5711 is at 0.673957 6.044661 2.214654 ESP Fit Center 5712 is at 0.279613 6.177980 2.214654 ESP Fit Center 5713 is at -0.127731 6.263723 2.214654 ESP Fit Center 5714 is at -0.542358 6.300686 2.214654 ESP Fit Center 5715 is at -0.958445 6.288350 2.214654 ESP Fit Center 5716 is at -1.370154 6.226889 2.214654 ESP Fit Center 5717 is at -1.771703 6.117166 2.214654 ESP Fit Center 5718 is at -2.157457 5.960720 2.214654 ESP Fit Center 5719 is at -2.521999 5.759748 2.214654 ESP Fit Center 5720 is at -2.860214 5.517071 2.214654 ESP Fit Center 5721 is at -3.167352 5.236095 2.214654 ESP Fit Center 5722 is at -3.439102 4.920765 2.214654 ESP Fit Center 5723 is at -3.671651 4.575508 2.214654 ESP Fit Center 5724 is at -3.861732 4.205170 2.214654 ESP Fit Center 5725 is at -4.006678 3.814950 2.214654 ESP Fit Center 5726 is at -4.104454 3.410326 2.214654 ESP Fit Center 5727 is at -4.153688 2.996977 2.214654 ESP Fit Center 5728 is at -4.153688 2.580706 2.214654 ESP Fit Center 5729 is at -4.104454 2.167358 2.214654 ESP Fit Center 5730 is at 2.768622 1.963596 2.214654 ESP Fit Center 5731 is at 2.842256 2.373302 2.214654 ESP Fit Center 5732 is at 3.070440 2.788842 1.847974 ESP Fit Center 5733 is at 3.047069 3.205004 1.847974 ESP Fit Center 5734 is at 2.977249 3.615932 1.847974 ESP Fit Center 5735 is at 2.861859 4.016459 1.847974 ESP Fit Center 5736 is at 2.702350 4.401549 1.847974 ESP Fit Center 5737 is at 2.500727 4.766357 1.847974 ESP Fit Center 5738 is at 2.259527 5.106298 1.847974 ESP Fit Center 5739 is at 1.981782 5.417094 1.847974 ESP Fit Center 5740 is at 1.670985 5.694839 1.847974 ESP Fit Center 5741 is at 1.331045 5.936040 1.847974 ESP Fit Center 5742 is at 0.966236 6.137662 1.847974 ESP Fit Center 5743 is at 0.581147 6.297172 1.847974 ESP Fit Center 5744 is at 0.180620 6.412562 1.847974 ESP Fit Center 5745 is at -0.230309 6.482381 1.847974 ESP Fit Center 5746 is at -0.646471 6.505752 1.847974 ESP Fit Center 5747 is at -1.062633 6.482381 1.847974 ESP Fit Center 5748 is at -1.473561 6.412562 1.847974 ESP Fit Center 5749 is at -1.874089 6.297172 1.847974 ESP Fit Center 5750 is at -2.259178 6.137662 1.847974 ESP Fit Center 5751 is at -2.623987 5.936040 1.847974 ESP Fit Center 5752 is at -2.963927 5.694839 1.847974 ESP Fit Center 5753 is at -3.274724 5.417094 1.847974 ESP Fit Center 5754 is at -3.552469 5.106298 1.847974 ESP Fit Center 5755 is at -3.793669 4.766357 1.847974 ESP Fit Center 5756 is at -3.995292 4.401549 1.847974 ESP Fit Center 5757 is at -4.154801 4.016459 1.847974 ESP Fit Center 5758 is at -4.270191 3.615932 1.847974 ESP Fit Center 5759 is at -4.340011 3.205004 1.847974 ESP Fit Center 5760 is at -4.363382 2.788842 1.847974 ESP Fit Center 5761 is at -4.340011 2.372680 1.847974 ESP Fit Center 5762 is at -4.270191 1.961751 1.847974 ESP Fit Center 5763 is at 3.213829 3.201504 1.462586 ESP Fit Center 5764 is at 3.148096 3.609491 1.462586 ESP Fit Center 5765 is at 3.039370 4.008180 1.462586 ESP Fit Center 5766 is at 2.888881 4.393053 1.462586 ESP Fit Center 5767 is at 2.698335 4.759749 1.462586 ESP Fit Center 5768 is at 2.469891 5.104115 1.462586 ESP Fit Center 5769 is at 2.206138 5.422247 1.462586 ESP Fit Center 5770 is at 1.910064 5.710542 1.462586 ESP Fit Center 5771 is at 1.585023 5.965733 1.462586 ESP Fit Center 5772 is at 1.234698 6.184929 1.462586 ESP Fit Center 5773 is at 0.863059 6.365645 1.462586 ESP Fit Center 5774 is at 0.474316 6.505835 1.462586 ESP Fit Center 5775 is at 0.072874 6.603910 1.462586 ESP Fit Center 5776 is at -0.336718 6.658759 1.462586 ESP Fit Center 5777 is at -0.749820 6.669760 1.462586 ESP Fit Center 5778 is at -1.161750 6.636788 1.462586 ESP Fit Center 5779 is at -1.567843 6.560218 1.462586 ESP Fit Center 5780 is at -1.963496 6.440916 1.462586 ESP Fit Center 5781 is at -2.344226 6.280236 1.462586 ESP Fit Center 5782 is at -2.705721 6.079996 1.462586 ESP Fit Center 5783 is at -3.043883 5.842466 1.462586 ESP Fit Center 5784 is at -3.354881 5.570337 1.462586 ESP Fit Center 5785 is at -3.635193 5.266693 1.462586 ESP Fit Center 5786 is at -3.881640 4.934974 1.462586 ESP Fit Center 5787 is at -4.091432 4.578938 1.462586 ESP Fit Center 5788 is at -4.262192 4.202620 1.462586 ESP Fit Center 5789 is at -4.391983 3.810283 1.462586 ESP Fit Center 5790 is at -4.479337 3.406373 1.462586 ESP Fit Center 5791 is at -4.523262 2.995466 1.462586 ESP Fit Center 5792 is at -4.523262 2.582217 1.462586 ESP Fit Center 5793 is at 3.273787 3.622118 1.062444 ESP Fit Center 5794 is at 3.165211 4.027332 1.062444 ESP Fit Center 5795 is at 3.014872 4.418977 1.062444 ESP Fit Center 5796 is at 2.824420 4.792761 1.062444 ESP Fit Center 5797 is at 2.595939 5.144590 1.062444 ESP Fit Center 5798 is at 2.331934 5.470609 1.062444 ESP Fit Center 5799 is at 2.035297 5.767247 1.062444 ESP Fit Center 5800 is at 1.709278 6.031252 1.062444 ESP Fit Center 5801 is at 1.357449 6.259732 1.062444 ESP Fit Center 5802 is at 0.983664 6.450185 1.062444 ESP Fit Center 5803 is at 0.592020 6.600523 1.062444 ESP Fit Center 5804 is at 0.186806 6.709100 1.062444 ESP Fit Center 5805 is at -0.227538 6.774725 1.062444 ESP Fit Center 5806 is at -0.646471 6.796681 1.062444 ESP Fit Center 5807 is at -1.065404 6.774725 1.062444 ESP Fit Center 5808 is at -1.479748 6.709100 1.062444 ESP Fit Center 5809 is at -1.884961 6.600523 1.062444 ESP Fit Center 5810 is at -2.276606 6.450185 1.062444 ESP Fit Center 5811 is at -2.650391 6.259732 1.062444 ESP Fit Center 5812 is at -3.002220 6.031252 1.062444 ESP Fit Center 5813 is at -3.328239 5.767247 1.062444 ESP Fit Center 5814 is at -3.624876 5.470609 1.062444 ESP Fit Center 5815 is at -3.888881 5.144590 1.062444 ESP Fit Center 5816 is at -4.117362 4.792761 1.062444 ESP Fit Center 5817 is at -4.307814 4.418977 1.062444 ESP Fit Center 5818 is at -4.458153 4.027332 1.062444 ESP Fit Center 5819 is at -4.566729 3.622118 1.062444 ESP Fit Center 5820 is at -4.632355 3.207775 1.062444 ESP Fit Center 5821 is at -4.654310 2.788842 1.062444 ESP Fit Center 5822 is at 3.362019 3.612607 0.651654 ESP Fit Center 5823 is at 3.258114 4.013913 0.651654 ESP Fit Center 5824 is at 3.114142 4.402648 0.651654 ESP Fit Center 5825 is at 2.931582 4.774823 0.651654 ESP Fit Center 5826 is at 2.712306 5.126619 0.651654 ESP Fit Center 5827 is at 2.458564 5.454426 0.651654 ESP Fit Center 5828 is at 2.172960 5.754881 0.651654 ESP Fit Center 5829 is at 1.858425 6.024901 0.651654 ESP Fit Center 5830 is at 1.518187 6.261714 0.651654 ESP Fit Center 5831 is at 1.155736 6.462890 0.651654 ESP Fit Center 5832 is at 0.774792 6.626366 0.651654 ESP Fit Center 5833 is at 0.379264 6.750464 0.651654 ESP Fit Center 5834 is at -0.026789 6.833910 0.651654 ESP Fit Center 5835 is at -0.439201 6.875848 0.651654 ESP Fit Center 5836 is at -0.853740 6.875848 0.651654 ESP Fit Center 5837 is at -1.266153 6.833910 0.651654 ESP Fit Center 5838 is at -1.672206 6.750464 0.651654 ESP Fit Center 5839 is at -2.067734 6.626366 0.651654 ESP Fit Center 5840 is at -2.448678 6.462890 0.651654 ESP Fit Center 5841 is at -2.811129 6.261714 0.651654 ESP Fit Center 5842 is at -3.151367 6.024901 0.651654 ESP Fit Center 5843 is at -3.465902 5.754881 0.651654 ESP Fit Center 5844 is at -3.751506 5.454426 0.651654 ESP Fit Center 5845 is at -4.005247 5.126619 0.651654 ESP Fit Center 5846 is at -4.224524 4.774823 0.651654 ESP Fit Center 5847 is at -4.407084 4.402648 0.651654 ESP Fit Center 5848 is at -4.551056 4.013913 0.651654 ESP Fit Center 5849 is at -4.654961 3.612607 0.651654 ESP Fit Center 5850 is at -4.717734 3.202849 0.651654 ESP Fit Center 5851 is at 3.298596 4.026614 0.234430 ESP Fit Center 5852 is at 3.153131 4.419379 0.234430 ESP Fit Center 5853 is at 2.968678 4.795413 0.234430 ESP Fit Center 5854 is at 2.747128 5.150856 0.234430 ESP Fit Center 5855 is at 2.490756 5.482062 0.234430 ESP Fit Center 5856 is at 2.202191 5.785632 0.234430 ESP Fit Center 5857 is at 1.884395 6.058451 0.234430 ESP Fit Center 5858 is at 1.540629 6.297719 0.234430 ESP Fit Center 5859 is at 1.174421 6.500982 0.234430 ESP Fit Center 5860 is at 0.789527 6.666152 0.234430 ESP Fit Center 5861 is at 0.389899 6.791537 0.234430 ESP Fit Center 5862 is at -0.020365 6.875848 0.234430 ESP Fit Center 5863 is at -0.437053 6.918221 0.234430 ESP Fit Center 5864 is at -0.855889 6.918221 0.234430 ESP Fit Center 5865 is at -1.272577 6.875848 0.234430 ESP Fit Center 5866 is at -1.682841 6.791537 0.234430 ESP Fit Center 5867 is at -2.082469 6.666152 0.234430 ESP Fit Center 5868 is at -2.467363 6.500982 0.234430 ESP Fit Center 5869 is at -2.833571 6.297719 0.234430 ESP Fit Center 5870 is at -3.177337 6.058451 0.234430 ESP Fit Center 5871 is at -3.495133 5.785632 0.234430 ESP Fit Center 5872 is at -3.783698 5.482062 0.234430 ESP Fit Center 5873 is at -4.040070 5.150856 0.234430 ESP Fit Center 5874 is at -4.261620 4.795413 0.234430 ESP Fit Center 5875 is at -4.446073 4.419379 0.234430 ESP Fit Center 5876 is at -4.591537 4.026614 0.234430 ESP Fit Center 5877 is at -4.696520 3.621148 0.234430 ESP Fit Center 5878 is at -4.759944 3.207141 0.234430 ESP Fit Center 5879 is at 3.298596 4.026614 -0.184945 ESP Fit Center 5880 is at 3.153131 4.419379 -0.184945 ESP Fit Center 5881 is at 2.968678 4.795413 -0.184945 ESP Fit Center 5882 is at 2.747128 5.150856 -0.184945 ESP Fit Center 5883 is at 2.490756 5.482062 -0.184945 ESP Fit Center 5884 is at 2.202191 5.785632 -0.184945 ESP Fit Center 5885 is at 1.884395 6.058451 -0.184945 ESP Fit Center 5886 is at 1.540629 6.297719 -0.184945 ESP Fit Center 5887 is at 1.174421 6.500982 -0.184945 ESP Fit Center 5888 is at 0.789527 6.666152 -0.184945 ESP Fit Center 5889 is at 0.389899 6.791537 -0.184945 ESP Fit Center 5890 is at -0.020365 6.875848 -0.184945 ESP Fit Center 5891 is at -0.437053 6.918221 -0.184945 ESP Fit Center 5892 is at -0.855889 6.918221 -0.184945 ESP Fit Center 5893 is at -1.272577 6.875848 -0.184945 ESP Fit Center 5894 is at -1.682841 6.791537 -0.184945 ESP Fit Center 5895 is at -2.082469 6.666152 -0.184945 ESP Fit Center 5896 is at -2.467363 6.500982 -0.184945 ESP Fit Center 5897 is at -2.833571 6.297719 -0.184945 ESP Fit Center 5898 is at -3.177337 6.058451 -0.184945 ESP Fit Center 5899 is at -3.495133 5.785632 -0.184945 ESP Fit Center 5900 is at -3.783698 5.482062 -0.184945 ESP Fit Center 5901 is at -4.040070 5.150856 -0.184945 ESP Fit Center 5902 is at -4.261620 4.795413 -0.184945 ESP Fit Center 5903 is at -4.446073 4.419379 -0.184945 ESP Fit Center 5904 is at -4.591537 4.026614 -0.184945 ESP Fit Center 5905 is at -4.696520 3.621148 -0.184945 ESP Fit Center 5906 is at -4.759944 3.207141 -0.184945 ESP Fit Center 5907 is at 3.362019 3.612607 -0.602168 ESP Fit Center 5908 is at 3.258114 4.013913 -0.602168 ESP Fit Center 5909 is at 3.114142 4.402648 -0.602168 ESP Fit Center 5910 is at 2.931582 4.774823 -0.602168 ESP Fit Center 5911 is at 2.712306 5.126619 -0.602168 ESP Fit Center 5912 is at 2.458564 5.454426 -0.602168 ESP Fit Center 5913 is at 2.172960 5.754881 -0.602168 ESP Fit Center 5914 is at 1.858425 6.024901 -0.602168 ESP Fit Center 5915 is at 1.518187 6.261714 -0.602168 ESP Fit Center 5916 is at 1.155736 6.462890 -0.602168 ESP Fit Center 5917 is at 0.774792 6.626366 -0.602168 ESP Fit Center 5918 is at 0.379264 6.750464 -0.602168 ESP Fit Center 5919 is at -0.026789 6.833910 -0.602168 ESP Fit Center 5920 is at -0.439201 6.875848 -0.602168 ESP Fit Center 5921 is at -0.853740 6.875848 -0.602168 ESP Fit Center 5922 is at -1.266153 6.833910 -0.602168 ESP Fit Center 5923 is at -1.672206 6.750464 -0.602168 ESP Fit Center 5924 is at -2.067734 6.626366 -0.602168 ESP Fit Center 5925 is at -2.448678 6.462890 -0.602168 ESP Fit Center 5926 is at -2.811129 6.261714 -0.602168 ESP Fit Center 5927 is at -3.151367 6.024901 -0.602168 ESP Fit Center 5928 is at -3.465902 5.754881 -0.602168 ESP Fit Center 5929 is at -3.751506 5.454426 -0.602168 ESP Fit Center 5930 is at -4.005247 5.126619 -0.602168 ESP Fit Center 5931 is at -4.224524 4.774823 -0.602168 ESP Fit Center 5932 is at -4.407084 4.402648 -0.602168 ESP Fit Center 5933 is at -4.551056 4.013913 -0.602168 ESP Fit Center 5934 is at -4.654961 3.612607 -0.602168 ESP Fit Center 5935 is at -4.717734 3.202849 -0.602168 ESP Fit Center 5936 is at 3.273787 3.622118 -1.012959 ESP Fit Center 5937 is at 3.165211 4.027332 -1.012959 ESP Fit Center 5938 is at 3.014872 4.418977 -1.012959 ESP Fit Center 5939 is at 2.824420 4.792761 -1.012959 ESP Fit Center 5940 is at 2.595939 5.144590 -1.012959 ESP Fit Center 5941 is at 2.331934 5.470609 -1.012959 ESP Fit Center 5942 is at 2.035297 5.767247 -1.012959 ESP Fit Center 5943 is at 1.709278 6.031252 -1.012959 ESP Fit Center 5944 is at 1.357449 6.259732 -1.012959 ESP Fit Center 5945 is at 0.983664 6.450185 -1.012959 ESP Fit Center 5946 is at 0.592020 6.600523 -1.012959 ESP Fit Center 5947 is at 0.186806 6.709100 -1.012959 ESP Fit Center 5948 is at -0.227538 6.774725 -1.012959 ESP Fit Center 5949 is at -0.646471 6.796681 -1.012959 ESP Fit Center 5950 is at -1.065404 6.774725 -1.012959 ESP Fit Center 5951 is at -1.479748 6.709100 -1.012959 ESP Fit Center 5952 is at -1.884961 6.600523 -1.012959 ESP Fit Center 5953 is at -2.276606 6.450185 -1.012959 ESP Fit Center 5954 is at -2.650391 6.259732 -1.012959 ESP Fit Center 5955 is at -3.002220 6.031252 -1.012959 ESP Fit Center 5956 is at -3.328239 5.767247 -1.012959 ESP Fit Center 5957 is at -3.624876 5.470609 -1.012959 ESP Fit Center 5958 is at -3.888881 5.144590 -1.012959 ESP Fit Center 5959 is at -4.117362 4.792761 -1.012959 ESP Fit Center 5960 is at -4.307814 4.418977 -1.012959 ESP Fit Center 5961 is at -4.458153 4.027332 -1.012959 ESP Fit Center 5962 is at -4.566729 3.622118 -1.012959 ESP Fit Center 5963 is at -4.632355 3.207775 -1.012959 ESP Fit Center 5964 is at -4.654310 2.788842 -1.012959 ESP Fit Center 5965 is at 3.213829 3.201504 -1.413101 ESP Fit Center 5966 is at 3.148096 3.609491 -1.413101 ESP Fit Center 5967 is at 3.039370 4.008180 -1.413101 ESP Fit Center 5968 is at 2.888881 4.393053 -1.413101 ESP Fit Center 5969 is at 2.698335 4.759749 -1.413101 ESP Fit Center 5970 is at 2.469891 5.104115 -1.413101 ESP Fit Center 5971 is at 2.206138 5.422247 -1.413101 ESP Fit Center 5972 is at 1.910064 5.710542 -1.413101 ESP Fit Center 5973 is at 1.585023 5.965733 -1.413101 ESP Fit Center 5974 is at 1.234698 6.184929 -1.413101 ESP Fit Center 5975 is at 0.863059 6.365645 -1.413101 ESP Fit Center 5976 is at 0.474316 6.505835 -1.413101 ESP Fit Center 5977 is at 0.072874 6.603910 -1.413101 ESP Fit Center 5978 is at -0.336718 6.658759 -1.413101 ESP Fit Center 5979 is at -0.749820 6.669760 -1.413101 ESP Fit Center 5980 is at -1.161750 6.636788 -1.413101 ESP Fit Center 5981 is at -1.567843 6.560218 -1.413101 ESP Fit Center 5982 is at -1.963496 6.440916 -1.413101 ESP Fit Center 5983 is at -2.344226 6.280236 -1.413101 ESP Fit Center 5984 is at -2.705721 6.079996 -1.413101 ESP Fit Center 5985 is at -3.043883 5.842466 -1.413101 ESP Fit Center 5986 is at -3.354881 5.570337 -1.413101 ESP Fit Center 5987 is at -3.635193 5.266693 -1.413101 ESP Fit Center 5988 is at -3.881640 4.934974 -1.413101 ESP Fit Center 5989 is at -4.091432 4.578938 -1.413101 ESP Fit Center 5990 is at -4.262192 4.202620 -1.413101 ESP Fit Center 5991 is at -4.391983 3.810283 -1.413101 ESP Fit Center 5992 is at -4.479337 3.406373 -1.413101 ESP Fit Center 5993 is at -4.523262 2.995466 -1.413101 ESP Fit Center 5994 is at -4.523262 2.582217 -1.413101 ESP Fit Center 5995 is at 3.070440 2.788842 -1.798489 ESP Fit Center 5996 is at 3.047069 3.205004 -1.798489 ESP Fit Center 5997 is at 2.977249 3.615932 -1.798489 ESP Fit Center 5998 is at 2.861859 4.016459 -1.798489 ESP Fit Center 5999 is at 2.702350 4.401549 -1.798489 ESP Fit Center 6000 is at 2.500727 4.766357 -1.798489 ESP Fit Center 6001 is at 2.259527 5.106298 -1.798489 ESP Fit Center 6002 is at 1.981782 5.417094 -1.798489 ESP Fit Center 6003 is at 1.670985 5.694839 -1.798489 ESP Fit Center 6004 is at 1.331045 5.936040 -1.798489 ESP Fit Center 6005 is at 0.966236 6.137662 -1.798489 ESP Fit Center 6006 is at 0.581147 6.297172 -1.798489 ESP Fit Center 6007 is at 0.180620 6.412562 -1.798489 ESP Fit Center 6008 is at -0.230309 6.482381 -1.798489 ESP Fit Center 6009 is at -0.646471 6.505752 -1.798489 ESP Fit Center 6010 is at -1.062633 6.482381 -1.798489 ESP Fit Center 6011 is at -1.473561 6.412562 -1.798489 ESP Fit Center 6012 is at -1.874089 6.297172 -1.798489 ESP Fit Center 6013 is at -2.259178 6.137662 -1.798489 ESP Fit Center 6014 is at -2.623987 5.936040 -1.798489 ESP Fit Center 6015 is at -2.963927 5.694839 -1.798489 ESP Fit Center 6016 is at -3.274724 5.417094 -1.798489 ESP Fit Center 6017 is at -3.552469 5.106298 -1.798489 ESP Fit Center 6018 is at -3.793669 4.766357 -1.798489 ESP Fit Center 6019 is at -3.995292 4.401549 -1.798489 ESP Fit Center 6020 is at -4.154801 4.016459 -1.798489 ESP Fit Center 6021 is at -4.270191 3.615932 -1.798489 ESP Fit Center 6022 is at -4.340011 3.205004 -1.798489 ESP Fit Center 6023 is at -4.363382 2.788842 -1.798489 ESP Fit Center 6024 is at -4.340011 2.372680 -1.798489 ESP Fit Center 6025 is at 2.866916 2.788842 -2.165168 ESP Fit Center 6026 is at 2.842256 3.204381 -2.165168 ESP Fit Center 6027 is at 2.768622 3.614087 -2.165168 ESP Fit Center 6028 is at 2.647047 4.012209 -2.165168 ESP Fit Center 6029 is at 2.479239 4.393157 -2.165168 ESP Fit Center 6030 is at 2.267552 4.751584 -2.165168 ESP Fit Center 6031 is at 2.014959 5.082458 -2.165168 ESP Fit Center 6032 is at 1.725006 5.381136 -2.165168 ESP Fit Center 6033 is at 1.401762 5.643423 -2.165168 ESP Fit Center 6034 is at 1.049765 5.865638 -2.165168 ESP Fit Center 6035 is at 0.673957 6.044661 -2.165168 ESP Fit Center 6036 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Fit Center 6091 is at 2.354171 2.788842 -2.827580 ESP Fit Center 6092 is at 2.324969 3.206450 -2.827580 ESP Fit Center 6093 is at 2.237931 3.615931 -2.827580 ESP Fit Center 6094 is at 2.094752 4.009313 -2.827580 ESP Fit Center 6095 is at 1.898218 4.378940 -2.827580 ESP Fit Center 6096 is at 1.652154 4.717617 -2.827580 ESP Fit Center 6097 is at 1.361351 5.018753 -2.827580 ESP Fit Center 6098 is at 1.031467 5.276487 -2.827580 ESP Fit Center 6099 is at 0.668924 5.485801 -2.827580 ESP Fit Center 6100 is at 0.280778 5.642622 -2.827580 ESP Fit Center 6101 is at -0.125415 5.743897 -2.827580 ESP Fit Center 6102 is at -0.541750 5.787656 -2.827580 ESP Fit Center 6103 is at -0.960123 5.773046 -2.827580 ESP Fit Center 6104 is at -1.372392 5.700352 -2.827580 ESP Fit Center 6105 is at -1.770531 5.570989 -2.827580 ESP Fit Center 6106 is at -2.146792 5.387474 -2.827580 ESP Fit Center 6107 is at -2.493851 5.153380 -2.827580 ESP Fit Center 6108 is at -2.804952 4.873263 -2.827580 ESP Fit Center 6109 is 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-3.116516 ESP Fit Center 6146 is at -0.543181 5.483545 -3.116516 ESP Fit Center 6147 is at -0.955736 5.467731 -3.116516 ESP Fit Center 6148 is at -1.361042 5.389127 -3.116516 ESP Fit Center 6149 is at -1.749599 5.249574 -3.116516 ESP Fit Center 6150 is at -2.112300 5.052343 -3.116516 ESP Fit Center 6151 is at -2.440643 4.802058 -3.116516 ESP Fit Center 6152 is at -2.726932 4.504585 -3.116516 ESP Fit Center 6153 is at -2.964457 4.166896 -3.116516 ESP Fit Center 6154 is at -3.147650 3.796907 -3.116516 ESP Fit Center 6155 is at -3.272218 3.403290 -3.116516 ESP Fit Center 6156 is at -3.335240 2.995271 -3.116516 ESP Fit Center 6157 is at -3.335240 2.582413 -3.116516 ESP Fit Center 6158 is at -3.272218 2.174393 -3.116516 ESP Fit Center 6159 is at -3.147650 1.780776 -3.116516 ESP Fit Center 6160 is at -2.964457 1.410787 -3.116516 ESP Fit Center 6161 is at -2.726932 1.073098 -3.116516 ESP Fit Center 6162 is at -2.440643 0.775625 -3.116516 ESP Fit Center 6163 is at -2.112300 0.525340 -3.116516 ESP Fit Center 6164 is at -1.749599 0.328109 -3.116516 ESP Fit Center 6165 is at -1.361042 0.188556 -3.116516 ESP Fit Center 6166 is at -0.955736 0.109952 -3.116516 ESP Fit Center 6167 is at -0.543181 0.094138 -3.116516 ESP Fit Center 6168 is at -0.133047 0.141486 -3.116516 ESP Fit Center 6169 is at 0.265053 0.250886 -3.116516 ESP Fit Center 6170 is at 0.641788 0.419773 -3.116516 ESP Fit Center 6171 is at 0.988326 0.644190 -3.116516 ESP Fit Center 6172 is at 1.296547 0.918875 -3.116516 ESP Fit Center 6173 is at 1.559225 1.237390 -3.116516 ESP Fit Center 6174 is at 1.770203 1.592270 -3.116516 ESP Fit Center 6175 is at 1.924536 1.975197 -3.116516 ESP Fit Center 6176 is at 2.018607 2.377195 -3.116516 ESP Fit Center 6177 is at 1.718579 2.788842 -3.373218 ESP Fit Center 6178 is at 1.680572 3.211138 -3.373218 ESP Fit Center 6179 is at 1.567772 3.619861 -3.373218 ESP Fit Center 6180 is at 1.383804 4.001874 -3.373218 ESP Fit Center 6181 is at 1.134581 4.344900 -3.373218 ESP Fit Center 6182 is 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0.815034 -3.373218 ESP Fit Center 6201 is at -1.575995 0.614112 -3.373218 ESP Fit Center 6202 is at -1.172744 0.483088 -3.373218 ESP Fit Center 6203 is at -0.752579 0.426173 -3.373218 ESP Fit Center 6204 is at -0.329003 0.445195 -3.373218 ESP Fit Center 6205 is at 0.084370 0.539545 -3.373218 ESP Fit Center 6206 is at 0.474252 0.706189 -3.373218 ESP Fit Center 6207 is at 0.828114 0.939771 -3.373218 ESP Fit Center 6208 is at 1.134581 1.232783 -3.373218 ESP Fit Center 6209 is at 1.383804 1.575809 -3.373218 ESP Fit Center 6210 is at 1.567772 1.957822 -3.373218 ESP Fit Center 6211 is at 1.680572 2.366546 -3.373218 ESP Fit Center 6212 is at 1.362679 2.788842 -3.595052 ESP Fit Center 6213 is at 1.318774 3.206567 -3.595052 ESP Fit Center 6214 is at 1.188979 3.606037 -3.595052 ESP Fit Center 6215 is at 0.978966 3.969790 -3.595052 ESP Fit Center 6216 is at 0.697913 4.281931 -3.595052 ESP Fit Center 6217 is at 0.358104 4.528817 -3.595052 ESP Fit Center 6218 is at -0.025609 4.699657 -3.595052 ESP Fit Center 6219 is at -0.436458 4.786985 -3.595052 ESP Fit Center 6220 is at -0.856484 4.786985 -3.595052 ESP Fit Center 6221 is at -1.267332 4.699657 -3.595052 ESP Fit Center 6222 is at -1.651046 4.528817 -3.595052 ESP Fit Center 6223 is at -1.990855 4.281931 -3.595052 ESP Fit Center 6224 is at -2.271908 3.969790 -3.595052 ESP Fit Center 6225 is at -2.481921 3.606037 -3.595052 ESP Fit Center 6226 is at -2.611716 3.206567 -3.595052 ESP Fit Center 6227 is at -2.655621 2.788842 -3.595052 ESP Fit Center 6228 is at -2.611716 2.371116 -3.595052 ESP Fit Center 6229 is at -2.481921 1.971647 -3.595052 ESP Fit Center 6230 is at -2.271908 1.607893 -3.595052 ESP Fit Center 6231 is at -1.990855 1.295752 -3.595052 ESP Fit Center 6232 is at -1.651046 1.048867 -3.595052 ESP Fit Center 6233 is at -1.267332 0.878026 -3.595052 ESP Fit Center 6234 is at -0.856484 0.790698 -3.595052 ESP Fit Center 6235 is at -0.436458 0.790698 -3.595052 ESP Fit Center 6236 is at -0.025609 0.878026 -3.595052 ESP Fit Center 6237 is at 0.358104 1.048867 -3.595052 ESP Fit Center 6238 is at 0.697913 1.295752 -3.595052 ESP Fit Center 6239 is at 0.978966 1.607893 -3.595052 ESP Fit Center 6240 is at 1.188979 1.971647 -3.595052 ESP Fit Center 6241 is at 1.318774 2.371116 -3.595052 ESP Fit Center 6242 is at 0.986162 2.788842 -3.779743 ESP Fit Center 6243 is at 0.930532 3.211398 -3.779743 ESP Fit Center 6244 is at 0.767431 3.605158 -3.779743 ESP Fit Center 6245 is at 0.507975 3.943288 -3.779743 ESP Fit Center 6246 is at 0.169846 4.202743 -3.779743 ESP Fit Center 6247 is at -0.223914 4.365844 -3.779743 ESP Fit Center 6248 is at -0.646471 4.421475 -3.779743 ESP Fit Center 6249 is at -1.069028 4.365844 -3.779743 ESP Fit Center 6250 is at -1.462788 4.202743 -3.779743 ESP Fit Center 6251 is at -1.800917 3.943288 -3.779743 ESP Fit Center 6252 is at -2.060373 3.605158 -3.779743 ESP Fit Center 6253 is at -2.223474 3.211398 -3.779743 ESP Fit Center 6254 is at -2.279104 2.788842 -3.779743 ESP Fit Center 6255 is at -2.223474 2.366285 -3.779743 ESP Fit Center 6256 is at -2.060373 1.972525 -3.779743 ESP Fit Center 6257 is at -1.800917 1.634396 -3.779743 ESP Fit Center 6258 is at -1.462788 1.374940 -3.779743 ESP Fit Center 6259 is at -1.069028 1.211839 -3.779743 ESP Fit Center 6260 is at -0.646471 1.156208 -3.779743 ESP Fit Center 6261 is at -0.223914 1.211839 -3.779743 ESP Fit Center 6262 is at 0.169846 1.374940 -3.779743 ESP Fit Center 6263 is at 0.507975 1.634396 -3.779743 ESP Fit Center 6264 is at 0.767431 1.972525 -3.779743 ESP Fit Center 6265 is at 0.930532 2.366285 -3.779743 ESP Fit Center 6266 is at 0.592892 2.788842 -3.925394 ESP Fit Center 6267 is at 0.518150 3.212729 -3.925394 ESP Fit Center 6268 is at 0.302936 3.585489 -3.925394 ESP Fit Center 6269 is at -0.026789 3.862162 -3.925394 ESP Fit Center 6270 is at -0.431258 4.009376 -3.925394 ESP Fit Center 6271 is at -0.861684 4.009376 -3.925394 ESP Fit Center 6272 is at -1.266153 3.862162 -3.925394 ESP Fit Center 6273 is at -1.595878 3.585489 -3.925394 ESP Fit Center 6274 is at -1.811092 3.212729 -3.925394 ESP Fit Center 6275 is at -1.885834 2.788842 -3.925394 ESP Fit Center 6276 is at -1.811092 2.364954 -3.925394 ESP Fit Center 6277 is at -1.595878 1.992194 -3.925394 ESP Fit Center 6278 is at -1.266153 1.715521 -3.925394 ESP Fit Center 6279 is at -0.861684 1.568307 -3.925394 ESP Fit Center 6280 is at -0.431258 1.568307 -3.925394 ESP Fit Center 6281 is at -0.026789 1.715521 -3.925394 ESP Fit Center 6282 is at 0.302936 1.992194 -3.925394 ESP Fit Center 6283 is at 0.518150 2.364954 -3.925394 ESP Fit Center 6284 is at 0.186905 2.788842 -4.030511 ESP Fit Center 6285 is at 0.075254 3.205530 -4.030511 ESP Fit Center 6286 is at -0.229783 3.510566 -4.030511 ESP Fit Center 6287 is at -0.646471 3.622217 -4.030511 ESP Fit Center 6288 is at -1.063159 3.510566 -4.030511 ESP Fit Center 6289 is at -1.368196 3.205530 -4.030511 ESP Fit Center 6290 is at -1.479847 2.788842 -4.030511 ESP Fit Center 6291 is at -1.368196 2.372154 -4.030511 ESP Fit Center 6292 is at -1.063159 2.067117 -4.030511 ESP Fit Center 6293 is at -0.646471 1.955466 -4.030511 ESP Fit Center 6294 is at -0.229783 2.067117 -4.030511 ESP Fit Center 6295 is at 0.075254 2.372154 -4.030511 ESP Fit Center 6296 is at -0.227634 2.788842 -4.094016 ESP Fit Center 6297 is at -0.437053 3.151565 -4.094016 ESP Fit Center 6298 is at -0.855889 3.151565 -4.094016 ESP Fit Center 6299 is at -1.065308 2.788842 -4.094016 ESP Fit Center 6300 is at -0.855889 2.426118 -4.094016 ESP Fit Center 6301 is at -0.437053 2.426118 -4.094016 ESP Fit Center 6302 is at -0.646471 2.788842 -4.115257 ESP Fit Center 6303 is at -4.777258 -0.149064 3.943274 ESP Fit Center 6304 is at -4.355863 -0.149064 3.901770 ESP Fit Center 6305 is at -4.566560 0.215874 3.901770 ESP Fit Center 6306 is at -4.987955 0.215874 3.901770 ESP Fit Center 6307 is at -5.198653 -0.149064 3.901770 ESP Fit Center 6308 is at -4.566560 -0.514003 3.901770 ESP Fit Center 6309 is at -3.950662 -0.149064 3.778853 ESP Fit Center 6310 is at -4.061404 0.264234 3.778853 ESP Fit Center 6311 is at -4.363960 0.566789 3.778853 ESP Fit Center 6312 is at -4.777258 0.677532 3.778853 ESP Fit Center 6313 is at -5.190556 0.566789 3.778853 ESP Fit Center 6314 is at -5.493111 0.264234 3.778853 ESP Fit Center 6315 is at -5.603854 -0.149064 3.778853 ESP Fit Center 6316 is at -3.577226 -0.149064 3.579248 ESP Fit Center 6317 is at -3.649597 0.261371 3.579248 ESP Fit Center 6318 is at -3.857980 0.622301 3.579248 ESP Fit Center 6319 is at -4.177242 0.890193 3.579248 ESP Fit Center 6320 is at -4.568874 1.032736 3.579248 ESP Fit Center 6321 is at -4.985641 1.032736 3.579248 ESP Fit Center 6322 is at -5.377274 0.890193 3.579248 ESP Fit Center 6323 is at -5.696535 0.622301 3.579248 ESP Fit Center 6324 is at -5.904919 0.261371 3.579248 ESP Fit Center 6325 is at -3.249907 -0.149064 3.310624 ESP Fit Center 6326 is at -3.306545 0.263010 3.310624 ESP Fit Center 6327 is at -3.472260 0.644522 3.310624 ESP Fit Center 6328 is at -3.734760 0.967178 3.310624 ESP Fit Center 6329 is at -4.074577 1.207048 3.310624 ESP Fit Center 6330 is at -4.466509 1.346340 3.310624 ESP Fit Center 6331 is at -4.881488 1.374726 3.310624 ESP Fit Center 6332 is at -5.288736 1.290098 3.310624 ESP Fit Center 6333 is at -5.658051 1.098735 3.310624 ESP Fit Center 6334 is at -5.962041 0.814828 3.310624 ESP Fit Center 6335 is at -6.178161 0.459434 3.310624 ESP Fit Center 6336 is at -2.981283 -0.149064 2.983305 ESP Fit Center 6337 is at -3.029694 0.265116 2.983305 ESP Fit Center 6338 is at -3.172316 0.656967 2.983305 ESP Fit Center 6339 is at -3.401462 1.005366 2.983305 ESP Fit Center 6340 is at -3.704776 1.291528 2.983305 ESP Fit Center 6341 is at -4.065909 1.500028 2.983305 ESP Fit Center 6342 is at -4.465390 1.619625 2.983305 ESP Fit Center 6343 is at -4.881684 1.643871 2.983305 ESP Fit Center 6344 is at -5.292349 1.571460 2.983305 ESP Fit Center 6345 is at -5.675245 1.406295 2.983305 ESP Fit Center 6346 is at -6.009730 1.157280 2.983305 ESP Fit Center 6347 is at -6.277772 0.837840 2.983305 ESP Fit Center 6348 is at -6.464922 0.465195 2.983305 ESP Fit Center 6349 is at -2.781678 -0.149064 2.609870 ESP Fit Center 6350 is at -2.825286 0.265840 2.609870 ESP Fit Center 6351 is at -3.779468 1.579158 2.609870 ESP Fit Center 6352 is at -4.160590 1.748845 2.609870 ESP Fit Center 6353 is at -4.568663 1.835583 2.609870 ESP Fit Center 6354 is at -4.985853 1.835583 2.609870 ESP Fit Center 6355 is at -5.393926 1.748845 2.609870 ESP Fit Center 6356 is at -5.775048 1.579158 2.609870 ESP Fit Center 6357 is at -6.112561 1.333940 2.609870 ESP Fit Center 6358 is at -6.391716 1.023908 2.609870 ESP Fit Center 6359 is at -6.600311 0.662611 2.609870 ESP Fit Center 6360 is at -4.363960 1.928725 2.204669 ESP Fit Center 6361 is at -4.777258 1.969432 2.204669 ESP Fit Center 6362 is at -5.190556 1.928725 2.204669 ESP Fit Center 6363 is at -5.587971 1.808171 2.204669 ESP Fit Center 6364 is at -5.954231 1.612401 2.204669 ESP Fit Center 6365 is at -6.275261 1.348939 2.204669 ESP Fit Center 6366 is at -6.538723 1.027909 2.204669 ESP Fit Center 6367 is at -4.674481 2.008489 1.783274 ESP Fit Center 6368 is at -5.084658 1.988950 1.783274 ESP Fit Center 6369 is at -5.483725 1.892137 1.783274 ESP Fit Center 6370 is at -5.857258 1.721550 1.783274 ESP Fit Center 6371 is at -6.191757 1.483355 1.783274 ESP Fit Center 6372 is at -6.475132 1.186159 1.783274 ESP Fit Center 6373 is at -5.190556 1.928725 1.361878 ESP Fit Center 6374 is at -5.587971 1.808171 1.361878 ESP Fit Center 6375 is at -5.954231 1.612401 1.361878 ESP Fit Center 6376 is at -6.275261 1.348939 1.361878 ESP Fit Center 6377 is at -5.393926 1.748845 0.956677 ESP Fit Center 6378 is at -6.976705 1.019285 0.689973 ESP Fit Center 6379 is at -7.280695 0.735378 0.689973 ESP Fit Center 6380 is at -7.496815 0.379984 0.689973 ESP Fit Center 6381 is at -6.993899 1.326845 0.362654 ESP Fit Center 6382 is at -7.328384 1.077830 0.362654 ESP Fit Center 6383 is at -7.596426 0.758389 0.362654 ESP Fit Center 6384 is at -7.783576 0.385745 0.362654 ESP Fit Center 6385 is at -7.879742 -0.020015 0.362654 ESP Fit Center 6386 is at -7.879742 -0.437015 0.362654 ESP Fit Center 6387 is at -7.093702 1.499708 -0.010781 ESP Fit Center 6388 is at -7.431215 1.254490 -0.010781 ESP Fit Center 6389 is at -7.710370 0.944458 -0.010781 ESP Fit Center 6390 is at -7.918965 0.583161 -0.010781 ESP Fit Center 6391 is at -8.047883 0.186390 -0.010781 ESP Fit Center 6392 is at -8.091491 -0.228515 -0.010781 ESP Fit Center 6393 is at -8.047883 -0.643419 -0.010781 ESP Fit Center 6394 is at -7.918965 -1.040190 -0.010781 ESP Fit Center 6395 is at -6.906625 1.728721 -0.415983 ESP Fit Center 6396 is at -7.272885 1.532951 -0.415983 ESP Fit Center 6397 is at -7.593915 1.269488 -0.415983 ESP Fit Center 6398 is at -7.857377 0.948459 -0.415983 ESP Fit Center 6399 is at -8.053147 0.582199 -0.415983 ESP Fit Center 6400 is at -8.173702 0.184783 -0.415983 ESP Fit Center 6401 is at -8.214408 -0.228515 -0.415983 ESP Fit Center 6402 is at -8.173702 -0.641813 -0.415983 ESP Fit Center 6403 is at -8.053147 -1.039228 -0.415983 ESP Fit Center 6404 is at -7.857377 -1.405488 -0.415983 ESP Fit Center 6405 is at -7.593915 -1.726518 -0.415983 ESP Fit Center 6406 is at -7.272885 -1.989980 -0.415983 ESP Fit Center 6407 is at -7.175912 1.642100 -0.837378 ESP Fit Center 6408 is at -7.510411 1.403904 -0.837378 ESP Fit Center 6409 is at -7.793786 1.106709 -0.837378 ESP Fit Center 6410 is at -8.015796 0.761255 -0.837378 ESP Fit Center 6411 is at -8.168417 0.380028 -0.837378 ESP Fit Center 6412 is at -8.246131 -0.023194 -0.837378 ESP Fit Center 6413 is at -8.246131 -0.433836 -0.837378 ESP Fit Center 6414 is at -8.168417 -0.837057 -0.837378 ESP Fit Center 6415 is at -8.015796 -1.218284 -0.837378 ESP Fit Center 6416 is at -7.793786 -1.563738 -0.837378 ESP Fit Center 6417 is at -7.510411 -1.860934 -0.837378 ESP Fit Center 6418 is at -7.175912 -2.099129 -0.837378 ESP Fit Center 6419 is at -6.802378 -2.269716 -0.837378 ESP Fit Center 6420 is at -6.906625 1.728721 -1.258773 ESP Fit Center 6421 is at -7.272885 1.532951 -1.258773 ESP Fit Center 6422 is at -7.593915 1.269488 -1.258773 ESP Fit Center 6423 is at -7.857377 0.948459 -1.258773 ESP Fit Center 6424 is at -8.053147 0.582199 -1.258773 ESP Fit Center 6425 is at -8.173702 0.184783 -1.258773 ESP Fit Center 6426 is at -8.214408 -0.228515 -1.258773 ESP Fit Center 6427 is at -8.173702 -0.641813 -1.258773 ESP Fit Center 6428 is at -8.053147 -1.039228 -1.258773 ESP Fit Center 6429 is at -7.857377 -1.405488 -1.258773 ESP Fit Center 6430 is at -7.593915 -1.726518 -1.258773 ESP Fit Center 6431 is at -7.272885 -1.989980 -1.258773 ESP Fit Center 6432 is at -6.906625 -2.185750 -1.258773 ESP Fit Center 6433 is at -7.093702 1.499708 -1.663974 ESP Fit Center 6434 is at -7.431215 1.254490 -1.663974 ESP Fit Center 6435 is at -7.710370 0.944458 -1.663974 ESP Fit Center 6436 is at -7.918965 0.583161 -1.663974 ESP Fit Center 6437 is at -8.047883 0.186390 -1.663974 ESP Fit Center 6438 is at -8.091491 -0.228515 -1.663974 ESP Fit Center 6439 is at -8.047883 -0.643419 -1.663974 ESP Fit Center 6440 is at -7.918965 -1.040190 -1.663974 ESP Fit Center 6441 is at -7.710370 -1.401487 -1.663974 ESP Fit Center 6442 is at -7.431215 -1.711519 -1.663974 ESP Fit Center 6443 is at -7.093702 -1.956737 -1.663974 ESP Fit Center 6444 is at -6.712580 -2.126424 -1.663974 ESP Fit Center 6445 is at -6.993899 1.326845 -2.037409 ESP Fit Center 6446 is at -7.328384 1.077830 -2.037409 ESP Fit Center 6447 is at -7.596426 0.758389 -2.037409 ESP Fit Center 6448 is at -7.783576 0.385745 -2.037409 ESP Fit Center 6449 is at -7.879742 -0.020015 -2.037409 ESP Fit Center 6450 is at -7.879742 -0.437015 -2.037409 ESP Fit Center 6451 is at -7.783576 -0.842774 -2.037409 ESP Fit Center 6452 is at -7.596426 -1.215419 -2.037409 ESP Fit Center 6453 is at -7.328384 -1.534859 -2.037409 ESP Fit Center 6454 is at -6.993899 -1.783874 -2.037409 ESP Fit Center 6455 is at -6.611003 -1.949039 -2.037409 ESP Fit Center 6456 is at -6.976705 1.019285 -2.364728 ESP Fit Center 6457 is at -7.280695 0.735378 -2.364728 ESP Fit Center 6458 is at -7.496815 0.379984 -2.364728 ESP Fit Center 6459 is at -7.609037 -0.020540 -2.364728 ESP Fit Center 6460 is at -7.609037 -0.436489 -2.364728 ESP Fit Center 6461 is at -7.496815 -0.837013 -2.364728 ESP Fit Center 6462 is at -7.280695 -1.192407 -2.364728 ESP Fit Center 6463 is at -6.976705 -1.476314 -2.364728 ESP Fit Center 6464 is at -6.607390 -1.667677 -2.364728 ESP Fit Center 6465 is at -6.200142 -1.752305 -2.364728 ESP Fit Center 6466 is at -6.695928 0.810743 -2.633352 ESP Fit Center 6467 is at -7.015189 0.542851 -2.633352 ESP Fit Center 6468 is at -7.223573 0.181920 -2.633352 ESP Fit Center 6469 is at -7.295943 -0.228515 -2.633352 ESP Fit Center 6470 is at -7.223573 -0.638950 -2.633352 ESP Fit Center 6471 is at -7.015189 -0.999880 -2.633352 ESP Fit Center 6472 is at -6.695928 -1.267773 -2.633352 ESP Fit Center 6473 is at -6.304295 -1.410315 -2.633352 ESP Fit Center 6474 is at -6.811765 0.184783 -2.832957 ESP Fit Center 6475 is at -6.922508 -0.228515 -2.832957 ESP Fit Center 6476 is at -6.811765 -0.641813 -2.832957 ESP Fit Center 6477 is at -6.509210 -0.944368 -2.832957 ESP Fit Center 6478 is at -6.517307 -0.228515 -2.955874 ESP Fit Center 6479 is at 1.614437 -2.145021 2.445882 ESP Fit Center 6480 is at 2.029215 -2.145021 2.411512 ESP Fit Center 6481 is at 1.199659 -2.145021 2.411512 ESP Fit Center 6482 is at 1.407048 -2.504229 2.411512 ESP Fit Center 6483 is at 1.821826 -2.504229 2.411512 ESP Fit Center 6484 is at 0.796194 -2.145021 2.309341 ESP Fit Center 6485 is at 0.905818 -2.554142 2.309341 ESP Fit Center 6486 is at 1.205316 -2.853639 2.309341 ESP Fit Center 6487 is at 1.614437 -2.963263 2.309341 ESP Fit Center 6488 is at 2.023558 -2.853639 2.309341 ESP Fit Center 6489 is at 2.323056 -2.554142 2.309341 ESP Fit Center 6490 is at 0.487381 -2.555235 2.142156 ESP Fit Center 6491 is at 0.695653 -2.915972 2.142156 ESP Fit Center 6492 is at 1.014743 -3.183721 2.142156 ESP Fit Center 6493 is at 1.406165 -3.326187 2.142156 ESP Fit Center 6494 is at 1.822708 -3.326187 2.142156 ESP Fit Center 6495 is at 2.214131 -3.183721 2.142156 ESP Fit Center 6496 is at 2.533221 -2.915972 2.142156 ESP Fit Center 6497 is at 2.741492 -2.555235 2.142156 ESP Fit Center 6498 is at 0.413779 -3.121829 1.914516 ESP Fit Center 6499 is at 0.721842 -3.409540 1.914516 ESP Fit Center 6500 is at 1.096105 -3.603467 1.914516 ESP Fit Center 6501 is at 1.508810 -3.689228 1.914516 ESP Fit Center 6502 is at 1.929349 -3.660463 1.914516 ESP Fit Center 6503 is at 2.326533 -3.519304 1.914516 ESP Fit Center 6504 is at 2.670904 -3.276220 1.914516 ESP Fit Center 6505 is at 0.342128 -3.493589 1.632631 ESP Fit Center 6506 is at 0.687425 -3.750653 1.632631 ESP Fit Center 6507 is at 1.082697 -3.921156 1.632631 ESP Fit Center 6508 is at 1.506635 -3.995908 1.632631 ESP Fit Center 6509 is at 1.936385 -3.970878 1.632631 ESP Fit Center 6510 is at 2.348778 -3.847415 1.632631 ESP Fit Center 6511 is at 2.721583 -3.632176 1.632631 ESP Fit Center 6512 is at 0.323102 -3.813288 1.304191 ESP Fit Center 6513 is at 0.685355 -4.039082 1.304191 ESP Fit Center 6514 is at 1.085645 -4.187334 1.304191 ESP Fit Center 6515 is at 1.507584 -4.251972 1.304191 ESP Fit Center 6516 is at 1.933898 -4.230352 1.304191 ESP Fit Center 6517 is at 2.347133 -4.123358 1.304191 ESP Fit Center 6518 is at 2.730371 -3.935371 1.304191 ESP Fit Center 6519 is at 0.223708 -3.986644 0.938154 ESP Fit Center 6520 is at 0.585785 -4.210833 0.938154 ESP Fit Center 6521 is at 0.982891 -4.364672 0.938154 ESP Fit Center 6522 is at 1.401505 -4.442925 0.938154 ESP Fit Center 6523 is at 1.827369 -4.442925 0.938154 ESP Fit Center 6524 is at 2.245982 -4.364672 0.938154 ESP Fit Center 6525 is at 2.643089 -4.210833 0.938154 ESP Fit Center 6526 is at 0.044178 -4.016382 0.544505 ESP Fit Center 6527 is at 0.392993 -4.260624 0.544505 ESP Fit Center 6528 is at 0.778920 -4.440585 0.544505 ESP Fit Center 6529 is at 1.190234 -4.550796 0.544505 ESP Fit Center 6530 is at 1.614437 -4.587909 0.544505 ESP Fit Center 6531 is at 2.038640 -4.550796 0.544505 ESP Fit Center 6532 is at 2.449954 -4.440585 0.544505 ESP Fit Center 6533 is at 0.121079 -4.164173 0.133982 ESP Fit Center 6534 is at 0.483798 -4.387508 0.133982 ESP Fit Center 6535 is at 0.879044 -4.546331 0.133982 ESP Fit Center 6536 is at 1.295445 -4.636072 0.133982 ESP Fit Center 6537 is at 1.721023 -4.654151 0.133982 ESP Fit Center 6538 is at 2.143535 -4.600046 0.133982 ESP Fit Center 6539 is at 2.550826 -4.475314 0.133982 ESP Fit Center 6540 is at 0.121079 -4.164173 -0.282218 ESP Fit Center 6541 is at 0.483798 -4.387508 -0.282218 ESP Fit Center 6542 is at 0.879044 -4.546331 -0.282218 ESP Fit Center 6543 is at 1.295445 -4.636072 -0.282218 ESP Fit Center 6544 is at 1.721023 -4.654151 -0.282218 ESP Fit Center 6545 is at 2.143535 -4.600046 -0.282218 ESP Fit Center 6546 is at 2.550826 -4.475314 -0.282218 ESP Fit Center 6547 is at 0.044178 -4.016382 -0.692742 ESP Fit Center 6548 is at 0.392993 -4.260624 -0.692742 ESP Fit Center 6549 is at 0.778920 -4.440585 -0.692742 ESP Fit Center 6550 is at 1.190234 -4.550796 -0.692742 ESP Fit Center 6551 is at 1.614437 -4.587909 -0.692742 ESP Fit Center 6552 is at 2.038640 -4.550796 -0.692742 ESP Fit Center 6553 is at 2.449954 -4.440585 -0.692742 ESP Fit Center 6554 is at 0.223708 -3.986644 -1.086391 ESP Fit Center 6555 is at 0.585785 -4.210833 -1.086391 ESP Fit Center 6556 is at 0.982891 -4.364672 -1.086391 ESP Fit Center 6557 is at 1.401505 -4.442925 -1.086391 ESP Fit Center 6558 is at 1.827369 -4.442925 -1.086391 ESP Fit Center 6559 is at 2.245982 -4.364672 -1.086391 ESP Fit Center 6560 is at 2.643089 -4.210833 -1.086391 ESP Fit Center 6561 is at 0.323102 -3.813288 -1.452428 ESP Fit Center 6562 is at 0.685355 -4.039082 -1.452428 ESP Fit Center 6563 is at 1.085645 -4.187334 -1.452428 ESP Fit Center 6564 is at 1.507584 -4.251972 -1.452428 ESP Fit Center 6565 is at 1.933898 -4.230352 -1.452428 ESP Fit Center 6566 is at 2.347133 -4.123358 -1.452428 ESP Fit Center 6567 is at 2.730371 -3.935371 -1.452428 ESP Fit Center 6568 is at 0.342128 -3.493589 -1.780868 ESP Fit Center 6569 is at 0.687425 -3.750653 -1.780868 ESP Fit Center 6570 is at 1.082697 -3.921156 -1.780868 ESP Fit Center 6571 is at 1.506635 -3.995908 -1.780868 ESP Fit Center 6572 is at 1.936385 -3.970878 -1.780868 ESP Fit Center 6573 is at 2.348778 -3.847415 -1.780868 ESP Fit Center 6574 is at 2.721583 -3.632176 -1.780868 ESP Fit Center 6575 is at 0.413779 -3.121829 -2.062752 ESP Fit Center 6576 is at 0.721842 -3.409540 -2.062752 ESP Fit Center 6577 is at 1.096105 -3.603467 -2.062752 ESP Fit Center 6578 is at 1.508810 -3.689228 -2.062752 ESP Fit Center 6579 is at 1.929349 -3.660463 -2.062752 ESP Fit Center 6580 is at 2.326533 -3.519304 -2.062752 ESP Fit Center 6581 is at 2.670904 -3.276220 -2.062752 ESP Fit Center 6582 is at 2.936921 -2.949241 -2.062752 ESP Fit Center 6583 is at 0.487381 -2.555235 -2.290392 ESP Fit Center 6584 is at 0.695653 -2.915972 -2.290392 ESP Fit Center 6585 is at 1.014743 -3.183721 -2.290392 ESP Fit Center 6586 is at 1.406165 -3.326187 -2.290392 ESP Fit Center 6587 is at 1.822708 -3.326187 -2.290392 ESP Fit Center 6588 is at 2.214131 -3.183721 -2.290392 ESP Fit Center 6589 is at 2.533221 -2.915972 -2.290392 ESP Fit Center 6590 is at 2.741492 -2.555235 -2.290392 ESP Fit Center 6591 is at 2.432680 -2.145021 -2.457578 ESP Fit Center 6592 is at 0.905818 -1.735899 -2.457578 ESP Fit Center 6593 is at 0.796194 -2.145021 -2.457578 ESP Fit Center 6594 is at 0.905818 -2.554142 -2.457578 ESP Fit Center 6595 is at 1.205316 -2.853639 -2.457578 ESP Fit Center 6596 is at 1.614437 -2.963263 -2.457578 ESP Fit Center 6597 is at 2.023558 -2.853639 -2.457578 ESP Fit Center 6598 is at 2.323056 -2.554142 -2.457578 ESP Fit Center 6599 is at 2.029215 -2.145021 -2.559749 ESP Fit Center 6600 is at 1.407048 -1.785812 -2.559749 ESP Fit Center 6601 is at 1.199659 -2.145021 -2.559749 ESP Fit Center 6602 is at 1.407048 -2.504229 -2.559749 ESP Fit Center 6603 is at 1.821826 -2.504229 -2.559749 ESP Fit Center 6604 is at 1.614437 -2.145021 -2.594118 ESP Fit Center 6605 is at 3.420951 -0.667942 2.700508 ESP Fit Center 6606 is at 3.843324 -0.667942 2.667267 ESP Fit Center 6607 is at 3.632137 -0.302156 2.667267 ESP Fit Center 6608 is at 3.209764 -0.302156 2.667267 ESP Fit Center 6609 is at 2.998578 -0.667942 2.667267 ESP Fit Center 6610 is at 3.209764 -1.033728 2.667267 ESP Fit Center 6611 is at 3.632137 -1.033728 2.667267 ESP Fit Center 6612 is at 4.255297 -0.667942 2.568361 ESP Fit Center 6613 is at 4.143516 -0.250769 2.568361 ESP Fit Center 6614 is at 3.003778 0.054623 2.568361 ESP Fit Center 6615 is at 2.698386 -0.250769 2.568361 ESP Fit Center 6616 is at 2.698386 -1.085115 2.568361 ESP Fit Center 6617 is at 3.003778 -1.390507 2.568361 ESP Fit Center 6618 is at 3.420951 -1.502288 2.568361 ESP Fit Center 6619 is at 2.481953 0.119970 2.406226 ESP Fit Center 6620 is at 4.572802 -0.248703 -2.405209 ESP Fit Center 6621 is at 2.808064 0.393610 -2.405209 ESP Fit Center 6622 is at 4.255297 -0.667942 -2.567344 ESP Fit Center 6623 is at 4.143516 -0.250769 -2.567344 ESP Fit Center 6624 is at 3.420951 0.166404 -2.567344 ESP Fit Center 6625 is at 3.003778 0.054623 -2.567344 ESP Fit Center 6626 is at 2.698386 -0.250769 -2.567344 ESP Fit Center 6627 is at 3.003778 -1.390507 -2.567344 ESP Fit Center 6628 is at 3.420951 -1.502288 -2.567344 ESP Fit Center 6629 is at 3.843324 -0.667942 -2.666250 ESP Fit Center 6630 is at 3.632137 -0.302156 -2.666250 ESP Fit Center 6631 is at 3.209764 -0.302156 -2.666250 ESP Fit Center 6632 is at 2.998578 -0.667942 -2.666250 ESP Fit Center 6633 is at 3.209764 -1.033728 -2.666250 ESP Fit Center 6634 is at 3.632137 -1.033728 -2.666250 ESP Fit Center 6635 is at 3.420951 -0.667942 -2.699492 ESP Fit Center 6636 is at 4.289054 -1.678951 2.690886 ESP Fit Center 6637 is at 4.711427 -1.678951 2.657645 ESP Fit Center 6638 is at 4.500241 -1.313165 2.657645 ESP Fit Center 6639 is at 4.077868 -1.313165 2.657645 ESP Fit Center 6640 is at 3.866681 -1.678951 2.657645 ESP Fit Center 6641 is at 4.077868 -2.044737 2.657645 ESP Fit Center 6642 is at 4.500241 -2.044737 2.657645 ESP Fit Center 6643 is at 4.706227 -0.956386 2.558739 ESP Fit Center 6644 is at 4.289054 -0.844605 2.558739 ESP Fit Center 6645 is at 3.454708 -1.678951 2.558739 ESP Fit Center 6646 is at 3.566490 -2.096124 2.558739 ESP Fit Center 6647 is at 3.871881 -2.401516 2.558739 ESP Fit Center 6648 is at 4.289054 -2.513297 2.558739 ESP Fit Center 6649 is at 4.706227 -2.401516 2.558739 ESP Fit Center 6650 is at 5.011619 -2.096124 2.558739 ESP Fit Center 6651 is at 3.137203 -2.098190 2.396604 ESP Fit Center 6652 is at 3.350057 -2.466863 2.396604 ESP Fit Center 6653 is at 3.676167 -2.740503 2.396604 ESP Fit Center 6654 is at 4.076201 -2.886103 2.396604 ESP Fit Center 6655 is at 4.501908 -2.886103 2.396604 ESP Fit Center 6656 is at 4.901942 -2.740503 2.396604 ESP Fit Center 6657 is at 2.914655 -2.472461 2.175232 ESP Fit Center 6658 is at 3.166862 -2.801144 2.175232 ESP Fit Center 6659 is at 3.495544 -3.053351 2.175232 ESP Fit Center 6660 is at 3.878303 -3.211895 2.175232 ESP Fit Center 6661 is at 4.289054 -3.265971 2.175232 ESP Fit Center 6662 is at 4.699805 -3.211895 2.175232 ESP Fit Center 6663 is at 5.082564 -3.053351 2.175232 ESP Fit Center 6664 is at 3.098695 -3.171614 1.900074 ESP Fit Center 6665 is at 4.289054 -3.588139 1.900074 ESP Fit Center 6666 is at 4.713889 -3.540272 1.900074 ESP Fit Center 6667 is at 5.117420 -3.399070 1.900074 ESP Fit Center 6668 is at 5.196464 -3.665902 1.577906 ESP Fit Center 6669 is at 5.196464 -3.665902 -1.596134 ESP Fit Center 6670 is at 4.713889 -3.540272 -1.918302 ESP Fit Center 6671 is at 5.117420 -3.399070 -1.918302 ESP Fit Center 6672 is at 3.166862 -2.801144 -2.193460 ESP Fit Center 6673 is at 3.495544 -3.053351 -2.193460 ESP Fit Center 6674 is at 3.878303 -3.211895 -2.193460 ESP Fit Center 6675 is at 4.289054 -3.265971 -2.193460 ESP Fit Center 6676 is at 4.699805 -3.211895 -2.193460 ESP Fit Center 6677 is at 5.082564 -3.053351 -2.193460 ESP Fit Center 6678 is at 3.137203 -2.098190 -2.414831 ESP Fit Center 6679 is at 3.350057 -2.466863 -2.414831 ESP Fit Center 6680 is at 3.676167 -2.740503 -2.414831 ESP Fit Center 6681 is at 4.076201 -2.886103 -2.414831 ESP Fit Center 6682 is at 4.501908 -2.886103 -2.414831 ESP Fit Center 6683 is at 4.901942 -2.740503 -2.414831 ESP Fit Center 6684 is at 5.228052 -2.466863 -2.414831 ESP Fit Center 6685 is at 5.011619 -1.261778 -2.576966 ESP Fit Center 6686 is at 4.706227 -0.956386 -2.576966 ESP Fit Center 6687 is at 4.289054 -0.844605 -2.576966 ESP Fit Center 6688 is at 3.454708 -1.678951 -2.576966 ESP Fit Center 6689 is at 3.566490 -2.096124 -2.576966 ESP Fit Center 6690 is at 3.871881 -2.401516 -2.576966 ESP Fit Center 6691 is at 4.289054 -2.513297 -2.576966 ESP Fit Center 6692 is at 4.706227 -2.401516 -2.576966 ESP Fit Center 6693 is at 5.011619 -2.096124 -2.576966 ESP Fit Center 6694 is at 4.711427 -1.678951 -2.675872 ESP Fit Center 6695 is at 4.500241 -1.313165 -2.675872 ESP Fit Center 6696 is at 4.077868 -1.313165 -2.675872 ESP Fit Center 6697 is at 3.866681 -1.678951 -2.675872 ESP Fit Center 6698 is at 4.077868 -2.044737 -2.675872 ESP Fit Center 6699 is at 4.500241 -2.044737 -2.675872 ESP Fit Center 6700 is at 4.289054 -1.678951 -2.709114 ESP Fit Center 6701 is at 5.727847 -1.416211 2.726692 ESP Fit Center 6702 is at 6.150220 -1.416211 2.693451 ESP Fit Center 6703 is at 5.939033 -1.050425 2.693451 ESP Fit Center 6704 is at 5.516660 -1.050425 2.693451 ESP Fit Center 6705 is at 5.305474 -1.416211 2.693451 ESP Fit Center 6706 is at 5.516660 -1.781997 2.693451 ESP Fit Center 6707 is at 5.939033 -1.781997 2.693451 ESP Fit Center 6708 is at 6.562193 -1.416211 2.594545 ESP Fit Center 6709 is at 5.310674 -0.693646 2.594545 ESP Fit Center 6710 is at 5.005282 -0.999038 2.594545 ESP Fit Center 6711 is at 5.005282 -1.833384 2.594545 ESP Fit Center 6712 is at 5.310674 -2.138776 2.594545 ESP Fit Center 6713 is at 5.727847 -2.250557 2.594545 ESP Fit Center 6714 is at 6.145020 -2.138776 2.594545 ESP Fit Center 6715 is at 6.450412 -1.833384 2.594545 ESP Fit Center 6716 is at 6.953621 -1.416211 2.432410 ESP Fit Center 6717 is at 4.788849 -0.628298 2.432410 ESP Fit Center 6718 is at 5.514993 -2.623363 2.432410 ESP Fit Center 6719 is at 5.940700 -2.623363 2.432410 ESP Fit Center 6720 is at 6.340734 -2.477763 2.432410 ESP Fit Center 6721 is at 6.666844 -2.204124 2.432410 ESP Fit Center 6722 is at 6.879698 -1.835451 2.432410 ESP Fit Center 6723 is at 7.314867 -1.416211 2.211038 ESP Fit Center 6724 is at 5.317096 -2.949155 2.211038 ESP Fit Center 6725 is at 5.727847 -3.003231 2.211038 ESP Fit Center 6726 is at 6.138598 -2.949155 2.211038 ESP Fit Center 6727 is at 6.521357 -2.790611 2.211038 ESP Fit Center 6728 is at 6.850040 -2.538404 2.211038 ESP Fit Center 6729 is at 7.102247 -2.209721 2.211038 ESP Fit Center 6730 is at 7.260791 -1.826962 2.211038 ESP Fit Center 6731 is at 5.303012 -3.277532 1.935880 ESP Fit Center 6732 is at 5.727847 -3.325399 1.935880 ESP Fit Center 6733 is at 6.152681 -3.277532 1.935880 ESP Fit Center 6734 is at 7.447966 -2.244577 1.935880 ESP Fit Center 6735 is at 7.589168 -1.841045 1.935880 ESP Fit Center 6736 is at 5.416982 -3.578323 1.613712 ESP Fit Center 6737 is at 5.831782 -3.598083 1.613712 ESP Fit Center 6738 is at 7.872719 -1.829601 1.613712 ESP Fit Center 6739 is at 5.831782 -3.598083 -1.560328 ESP Fit Center 6740 is at 7.872719 -1.829601 -1.560328 ESP Fit Center 6741 is at 7.637035 -1.416211 -1.882496 ESP Fit Center 6742 is at 5.727847 -3.325399 -1.882496 ESP Fit Center 6743 is at 6.152681 -3.277532 -1.882496 ESP Fit Center 6744 is at 7.447966 -2.244577 -1.882496 ESP Fit Center 6745 is at 7.589168 -1.841045 -1.882496 ESP Fit Center 6746 is at 7.314867 -1.416211 -2.157654 ESP Fit Center 6747 is at 5.727847 -3.003231 -2.157654 ESP Fit Center 6748 is at 6.138598 -2.949155 -2.157654 ESP Fit Center 6749 is at 6.521357 -2.790611 -2.157654 ESP Fit Center 6750 is at 6.850040 -2.538404 -2.157654 ESP Fit Center 6751 is at 7.102247 -2.209721 -2.157654 ESP Fit Center 6752 is at 7.260791 -1.826962 -2.157654 ESP Fit Center 6753 is at 6.953621 -1.416211 -2.379025 ESP Fit Center 6754 is at 5.514993 -2.623363 -2.379025 ESP Fit Center 6755 is at 5.940700 -2.623363 -2.379025 ESP Fit Center 6756 is at 6.340734 -2.477763 -2.379025 ESP Fit Center 6757 is at 6.666844 -2.204124 -2.379025 ESP Fit Center 6758 is at 6.879698 -1.835451 -2.379025 ESP Fit Center 6759 is at 6.562193 -1.416211 -2.541160 ESP Fit Center 6760 is at 6.450412 -0.999038 -2.541160 ESP Fit Center 6761 is at 5.310674 -0.693646 -2.541160 ESP Fit Center 6762 is at 5.005282 -0.999038 -2.541160 ESP Fit Center 6763 is at 5.310674 -2.138776 -2.541160 ESP Fit Center 6764 is at 5.727847 -2.250557 -2.541160 ESP Fit Center 6765 is at 6.145020 -2.138776 -2.541160 ESP Fit Center 6766 is at 6.450412 -1.833384 -2.541160 ESP Fit Center 6767 is at 6.150220 -1.416211 -2.640066 ESP Fit Center 6768 is at 5.939033 -1.050425 -2.640066 ESP Fit Center 6769 is at 5.516660 -1.050425 -2.640066 ESP Fit Center 6770 is at 5.305474 -1.416211 -2.640066 ESP Fit Center 6771 is at 5.516660 -1.781997 -2.640066 ESP Fit Center 6772 is at 5.939033 -1.781997 -2.640066 ESP Fit Center 6773 is at 5.727847 -1.416211 -2.673308 ESP Fit Center 6774 is at 6.176680 -0.163649 2.767181 ESP Fit Center 6775 is at 6.599053 -0.163649 2.733939 ESP Fit Center 6776 is at 6.387867 0.202137 2.733939 ESP Fit Center 6777 is at 5.965494 0.202137 2.733939 ESP Fit Center 6778 is at 5.754307 -0.163649 2.733939 ESP Fit Center 6779 is at 5.965494 -0.529435 2.733939 ESP Fit Center 6780 is at 6.387867 -0.529435 2.733939 ESP Fit Center 6781 is at 7.011026 -0.163649 2.635033 ESP Fit Center 6782 is at 6.899245 0.253524 2.635033 ESP Fit Center 6783 is at 6.593853 0.558916 2.635033 ESP Fit Center 6784 is at 6.176680 0.670697 2.635033 ESP Fit Center 6785 is at 5.342334 -0.163649 2.635033 ESP Fit Center 6786 is at 5.454116 -0.580822 2.635033 ESP Fit Center 6787 is at 6.593853 -0.886214 2.635033 ESP Fit Center 6788 is at 6.899245 -0.580822 2.635033 ESP Fit Center 6789 is at 7.402455 -0.163649 2.472898 ESP Fit Center 6790 is at 7.328531 0.255591 2.472898 ESP Fit Center 6791 is at 7.115678 0.624264 2.472898 ESP Fit Center 6792 is at 6.789567 0.897903 2.472898 ESP Fit Center 6793 is at 7.115678 -0.951561 2.472898 ESP Fit Center 6794 is at 7.328531 -0.582888 2.472898 ESP Fit Center 6795 is at 7.763700 -0.163649 2.251527 ESP Fit Center 6796 is at 7.709624 0.247102 2.251527 ESP Fit Center 6797 is at 7.551080 0.629861 2.251527 ESP Fit Center 6798 is at 7.298873 0.958544 2.251527 ESP Fit Center 6799 is at 6.970190 1.210751 2.251527 ESP Fit Center 6800 is at 7.298873 -1.285842 2.251527 ESP Fit Center 6801 is at 7.551080 -0.957159 2.251527 ESP Fit Center 6802 is at 7.709624 -0.574400 2.251527 ESP Fit Center 6803 is at 7.669344 1.026711 1.976369 ESP Fit Center 6804 is at 7.367040 1.329015 1.976369 ESP Fit Center 6805 is at 7.669344 -1.354008 1.976369 ESP Fit Center 6806 is at 7.896800 -0.992015 1.976369 ESP Fit Center 6807 is at 7.443725 1.615667 1.654201 ESP Fit Center 6808 is at 8.014269 -1.344595 1.654201 ESP Fit Center 6809 is at 7.581163 1.986071 -0.767165 ESP Fit Center 6810 is at 7.443725 1.615667 -1.519839 ESP Fit Center 6811 is at 8.014269 -1.344595 -1.519839 ESP Fit Center 6812 is at 7.669344 1.026711 -1.842007 ESP Fit Center 6813 is at 7.367040 1.329015 -1.842007 ESP Fit Center 6814 is at 7.896800 -0.992015 -1.842007 ESP Fit Center 6815 is at 8.038001 -0.588483 -1.842007 ESP Fit Center 6816 is at 7.763700 -0.163649 -2.117165 ESP Fit Center 6817 is at 7.709624 0.247102 -2.117165 ESP Fit Center 6818 is at 7.551080 0.629861 -2.117165 ESP Fit Center 6819 is at 7.298873 0.958544 -2.117165 ESP Fit Center 6820 is at 6.970190 1.210751 -2.117165 ESP Fit Center 6821 is at 7.551080 -0.957159 -2.117165 ESP Fit Center 6822 is at 7.709624 -0.574400 -2.117165 ESP Fit Center 6823 is at 7.402455 -0.163649 -2.338537 ESP Fit Center 6824 is at 7.328531 0.255591 -2.338537 ESP Fit Center 6825 is at 7.115678 0.624264 -2.338537 ESP Fit Center 6826 is at 6.789567 0.897903 -2.338537 ESP Fit Center 6827 is at 7.115678 -0.951561 -2.338537 ESP Fit Center 6828 is at 7.328531 -0.582888 -2.338537 ESP Fit Center 6829 is at 7.011026 -0.163649 -2.500672 ESP Fit Center 6830 is at 6.899245 0.253524 -2.500672 ESP Fit Center 6831 is at 6.593853 0.558916 -2.500672 ESP Fit Center 6832 is at 6.176680 0.670697 -2.500672 ESP Fit Center 6833 is at 5.342334 -0.163649 -2.500672 ESP Fit Center 6834 is at 6.593853 -0.886214 -2.500672 ESP Fit Center 6835 is at 6.899245 -0.580822 -2.500672 ESP Fit Center 6836 is at 6.599053 -0.163649 -2.599578 ESP Fit Center 6837 is at 6.387867 0.202137 -2.599578 ESP Fit Center 6838 is at 5.965494 0.202137 -2.599578 ESP Fit Center 6839 is at 5.754307 -0.163649 -2.599578 ESP Fit Center 6840 is at 5.965494 -0.529435 -2.599578 ESP Fit Center 6841 is at 6.387867 -0.529435 -2.599578 ESP Fit Center 6842 is at 6.176680 -0.163649 -2.632819 ESP Fit Center 6843 is at 5.230896 0.950773 2.777985 ESP Fit Center 6844 is at 5.653269 0.950773 2.744744 ESP Fit Center 6845 is at 5.442083 1.316559 2.744744 ESP Fit Center 6846 is at 5.019710 1.316559 2.744744 ESP Fit Center 6847 is at 4.808523 0.950773 2.744744 ESP Fit Center 6848 is at 5.019710 0.584988 2.744744 ESP Fit Center 6849 is at 5.442083 0.584988 2.744744 ESP Fit Center 6850 is at 6.065242 0.950773 2.645838 ESP Fit Center 6851 is at 5.953461 1.367946 2.645838 ESP Fit Center 6852 is at 5.648069 1.673338 2.645838 ESP Fit Center 6853 is at 5.230896 1.785119 2.645838 ESP Fit Center 6854 is at 4.813723 1.673338 2.645838 ESP Fit Center 6855 is at 4.508331 1.367946 2.645838 ESP Fit Center 6856 is at 4.813723 0.228209 2.645838 ESP Fit Center 6857 is at 5.230896 0.116427 2.645838 ESP Fit Center 6858 is at 6.382747 1.370013 2.483703 ESP Fit Center 6859 is at 6.169894 1.738686 2.483703 ESP Fit Center 6860 is at 5.843783 2.012325 2.483703 ESP Fit Center 6861 is at 5.443750 2.157925 2.483703 ESP Fit Center 6862 is at 5.018043 2.157925 2.483703 ESP Fit Center 6863 is at 4.618009 2.012325 2.483703 ESP Fit Center 6864 is at 6.763840 1.361524 2.262331 ESP Fit Center 6865 is at 6.605296 1.744283 2.262331 ESP Fit Center 6866 is at 6.353089 2.072966 2.262331 ESP Fit Center 6867 is at 6.024406 2.325173 2.262331 ESP Fit Center 6868 is at 5.641647 2.483717 2.262331 ESP Fit Center 6869 is at 5.230896 2.537794 2.262331 ESP Fit Center 6870 is at 4.820145 2.483717 2.262331 ESP Fit Center 6871 is at 4.437386 2.325173 2.262331 ESP Fit Center 6872 is at 6.951015 1.779139 1.987174 ESP Fit Center 6873 is at 6.723560 2.141133 1.987174 ESP Fit Center 6874 is at 4.806062 2.812094 1.987174 ESP Fit Center 6875 is at 4.402530 2.670893 1.987174 ESP Fit Center 6876 is at 7.258773 1.762613 1.665006 ESP Fit Center 6877 is at 4.516467 3.014982 1.665006 ESP Fit Center 6878 is at 7.258773 1.762613 -1.509035 ESP Fit Center 6879 is at 7.068485 2.131720 -1.509035 ESP Fit Center 6880 is at 4.516467 3.014982 -1.509035 ESP Fit Center 6881 is at 6.951015 1.779139 -1.831203 ESP Fit Center 6882 is at 6.723560 2.141133 -1.831203 ESP Fit Center 6883 is at 6.421256 2.443437 -1.831203 ESP Fit Center 6884 is at 5.230896 2.859962 -1.831203 ESP Fit Center 6885 is at 4.806062 2.812094 -1.831203 ESP Fit Center 6886 is at 4.402530 2.670893 -1.831203 ESP Fit Center 6887 is at 6.763840 1.361524 -2.106361 ESP Fit Center 6888 is at 6.605296 1.744283 -2.106361 ESP Fit Center 6889 is at 6.353089 2.072966 -2.106361 ESP Fit Center 6890 is at 6.024406 2.325173 -2.106361 ESP Fit Center 6891 is at 5.641647 2.483717 -2.106361 ESP Fit Center 6892 is at 5.230896 2.537794 -2.106361 ESP Fit Center 6893 is at 4.820145 2.483717 -2.106361 ESP Fit Center 6894 is at 4.437386 2.325173 -2.106361 ESP Fit Center 6895 is at 6.382747 1.370013 -2.327732 ESP Fit Center 6896 is at 6.169894 1.738686 -2.327732 ESP Fit Center 6897 is at 5.843783 2.012325 -2.327732 ESP Fit Center 6898 is at 5.443750 2.157925 -2.327732 ESP Fit Center 6899 is at 5.018043 2.157925 -2.327732 ESP Fit Center 6900 is at 4.618009 2.012325 -2.327732 ESP Fit Center 6901 is at 6.065242 0.950773 -2.489867 ESP Fit Center 6902 is at 5.953461 1.367946 -2.489867 ESP Fit Center 6903 is at 5.648069 1.673338 -2.489867 ESP Fit Center 6904 is at 5.230896 1.785119 -2.489867 ESP Fit Center 6905 is at 4.813723 1.673338 -2.489867 ESP Fit Center 6906 is at 4.813723 0.228209 -2.489867 ESP Fit Center 6907 is at 5.230896 0.116427 -2.489867 ESP Fit Center 6908 is at 5.653269 0.950773 -2.588773 ESP Fit Center 6909 is at 5.442083 1.316559 -2.588773 ESP Fit Center 6910 is at 5.019710 1.316559 -2.588773 ESP Fit Center 6911 is at 4.808523 0.950773 -2.588773 ESP Fit Center 6912 is at 5.019710 0.584988 -2.588773 ESP Fit Center 6913 is at 5.442083 0.584988 -2.588773 ESP Fit Center 6914 is at 5.230896 0.950773 -2.622015 ESP Fit Center 6915 is at 3.920867 0.714642 2.746180 ESP Fit Center 6916 is at 4.343240 0.714642 2.712938 ESP Fit Center 6917 is at 4.132054 1.080428 2.712938 ESP Fit Center 6918 is at 3.709681 1.080428 2.712938 ESP Fit Center 6919 is at 3.498494 0.714642 2.712938 ESP Fit Center 6920 is at 3.709681 0.348856 2.712938 ESP Fit Center 6921 is at 4.132054 0.348856 2.712938 ESP Fit Center 6922 is at 4.338040 1.437207 2.614032 ESP Fit Center 6923 is at 3.920867 1.548988 2.614032 ESP Fit Center 6924 is at 3.503694 1.437207 2.614032 ESP Fit Center 6925 is at 3.198302 1.131815 2.614032 ESP Fit Center 6926 is at 3.086521 0.714642 2.614032 ESP Fit Center 6927 is at 3.198302 0.297469 2.614032 ESP Fit Center 6928 is at 3.920867 -0.119704 2.614032 ESP Fit Center 6929 is at 4.338040 -0.007923 2.614032 ESP Fit Center 6930 is at 4.133721 1.921794 2.451897 ESP Fit Center 6931 is at 3.708014 1.921794 2.451897 ESP Fit Center 6932 is at 3.307980 1.776194 2.451897 ESP Fit Center 6933 is at 2.981869 1.502554 2.451897 ESP Fit Center 6934 is at 2.769016 1.133881 2.451897 ESP Fit Center 6935 is at 2.695093 0.714642 2.451897 ESP Fit Center 6936 is at 2.769016 0.295402 2.451897 ESP Fit Center 6937 is at 4.533754 -0.346910 2.451897 ESP Fit Center 6938 is at 3.920867 2.301662 2.230526 ESP Fit Center 6939 is at 3.510116 2.247586 2.230526 ESP Fit Center 6940 is at 3.127357 2.089042 2.230526 ESP Fit Center 6941 is at 2.798674 1.836835 2.230526 ESP Fit Center 6942 is at 3.920867 2.623830 1.955368 ESP Fit Center 6943 is at 3.496033 2.575963 1.955368 ESP Fit Center 6944 is at 4.024802 2.896514 1.633200 ESP Fit Center 6945 is at 4.024802 2.896514 -1.540840 ESP Fit Center 6946 is at 3.920867 2.623830 -1.863009 ESP Fit Center 6947 is at 3.496033 2.575963 -1.863009 ESP Fit Center 6948 is at 4.331618 2.247586 -2.138166 ESP Fit Center 6949 is at 3.920867 2.301662 -2.138166 ESP Fit Center 6950 is at 3.510116 2.247586 -2.138166 ESP Fit Center 6951 is at 3.127357 2.089042 -2.138166 ESP Fit Center 6952 is at 2.798674 1.836835 -2.138166 ESP Fit Center 6953 is at 4.133721 1.921794 -2.359538 ESP Fit Center 6954 is at 3.708014 1.921794 -2.359538 ESP Fit Center 6955 is at 3.307980 1.776194 -2.359538 ESP Fit Center 6956 is at 2.981869 1.502554 -2.359538 ESP Fit Center 6957 is at 2.769016 1.133881 -2.359538 ESP Fit Center 6958 is at 2.695093 0.714642 -2.359538 ESP Fit Center 6959 is at 4.338040 1.437207 -2.521673 ESP Fit Center 6960 is at 3.920867 1.548988 -2.521673 ESP Fit Center 6961 is at 3.503694 1.437207 -2.521673 ESP Fit Center 6962 is at 3.198302 1.131815 -2.521673 ESP Fit Center 6963 is at 3.086521 0.714642 -2.521673 ESP Fit Center 6964 is at 3.198302 0.297469 -2.521673 ESP Fit Center 6965 is at 4.338040 -0.007923 -2.521673 ESP Fit Center 6966 is at 4.643432 0.297469 -2.521673 ESP Fit Center 6967 is at 4.343240 0.714642 -2.620579 ESP Fit Center 6968 is at 4.132054 1.080428 -2.620579 ESP Fit Center 6969 is at 3.709681 1.080428 -2.620579 ESP Fit Center 6970 is at 3.498494 0.714642 -2.620579 ESP Fit Center 6971 is at 3.709681 0.348856 -2.620579 ESP Fit Center 6972 is at 4.132054 0.348856 -2.620579 ESP Fit Center 6973 is at 3.920867 0.714642 -2.653820 ESP Fit Center 6974 is at 3.521988 -3.394589 1.953738 ESP Fit Center 6975 is at 3.935286 -3.505332 1.953738 ESP Fit Center 6976 is at 3.016009 -3.450101 1.754132 ESP Fit Center 6977 is at 3.335270 -3.717994 1.754132 ESP Fit Center 6978 is at 3.726903 -3.860536 1.754132 ESP Fit Center 6979 is at 4.143670 -3.860536 1.754132 ESP Fit Center 6980 is at 4.535302 -3.717994 1.754132 ESP Fit Center 6981 is at 3.054493 -3.926535 1.485509 ESP Fit Center 6982 is at 3.423808 -4.117899 1.485509 ESP Fit Center 6983 is at 3.831056 -4.202526 1.485509 ESP Fit Center 6984 is at 4.246035 -4.174141 1.485509 ESP Fit Center 6985 is at 4.637967 -4.034848 1.485509 ESP Fit Center 6986 is at 3.037299 -4.234095 1.158190 ESP Fit Center 6987 is at 3.420195 -4.399261 1.158190 ESP Fit Center 6988 is at 3.830860 -4.471672 1.158190 ESP Fit Center 6989 is at 4.247154 -4.447425 1.158190 ESP Fit Center 6990 is at 4.646635 -4.327829 1.158190 ESP Fit Center 6991 is at 5.007768 -4.119329 1.158190 ESP Fit Center 6992 is at 2.937496 -4.406959 0.784754 ESP Fit Center 6993 is at 3.318618 -4.576645 0.784754 ESP Fit Center 6994 is at 3.726691 -4.663384 0.784754 ESP Fit Center 6995 is at 4.143881 -4.663384 0.784754 ESP Fit Center 6996 is at 4.551954 -4.576645 0.784754 ESP Fit Center 6997 is at 4.933076 -4.406959 0.784754 ESP Fit Center 6998 is at 5.270590 -4.161741 0.784754 ESP Fit Center 6999 is at 2.758313 -4.440201 0.379553 ESP Fit Center 7000 is at 3.124573 -4.635971 0.379553 ESP Fit Center 7001 is at 3.521988 -4.756526 0.379553 ESP Fit Center 7002 is at 3.935286 -4.797232 0.379553 ESP Fit Center 7003 is at 4.348584 -4.756526 0.379553 ESP Fit Center 7004 is at 4.746000 -4.635971 0.379553 ESP Fit Center 7005 is at 5.112260 -4.440201 0.379553 ESP Fit Center 7006 is at 5.433289 -4.176739 0.379553 ESP Fit Center 7007 is at 2.855286 -4.549351 -0.041842 ESP Fit Center 7008 is at 3.228820 -4.719938 -0.041842 ESP Fit Center 7009 is at 3.627886 -4.816750 -0.041842 ESP Fit Center 7010 is at 4.038063 -4.836289 -0.041842 ESP Fit Center 7011 is at 4.444526 -4.777849 -0.041842 ESP Fit Center 7012 is at 4.832583 -4.643541 -0.041842 ESP Fit Center 7013 is at 5.188209 -4.438220 -0.041842 ESP Fit Center 7014 is at 2.758313 -4.440201 -0.463237 ESP Fit Center 7015 is at 3.124573 -4.635971 -0.463237 ESP Fit Center 7016 is at 3.521988 -4.756526 -0.463237 ESP Fit Center 7017 is at 3.935286 -4.797232 -0.463237 ESP Fit Center 7018 is at 4.348584 -4.756526 -0.463237 ESP Fit Center 7019 is at 4.746000 -4.635971 -0.463237 ESP Fit Center 7020 is at 5.112260 -4.440201 -0.463237 ESP Fit Center 7021 is at 5.433289 -4.176739 -0.463237 ESP Fit Center 7022 is at 2.937496 -4.406959 -0.868438 ESP Fit Center 7023 is at 3.318618 -4.576645 -0.868438 ESP Fit Center 7024 is at 3.726691 -4.663384 -0.868438 ESP Fit Center 7025 is at 4.143881 -4.663384 -0.868438 ESP Fit Center 7026 is at 4.551954 -4.576645 -0.868438 ESP Fit Center 7027 is at 4.933076 -4.406959 -0.868438 ESP Fit Center 7028 is at 5.270590 -4.161741 -0.868438 ESP Fit Center 7029 is at 3.037299 -4.234095 -1.241874 ESP Fit Center 7030 is at 3.420195 -4.399261 -1.241874 ESP Fit Center 7031 is at 3.830860 -4.471672 -1.241874 ESP Fit Center 7032 is at 4.247154 -4.447425 -1.241874 ESP Fit Center 7033 is at 4.646635 -4.327829 -1.241874 ESP Fit Center 7034 is at 5.007768 -4.119329 -1.241874 ESP Fit Center 7035 is at 3.054493 -3.926535 -1.569193 ESP Fit Center 7036 is at 3.423808 -4.117899 -1.569193 ESP Fit Center 7037 is at 3.831056 -4.202526 -1.569193 ESP Fit Center 7038 is at 4.246035 -4.174141 -1.569193 ESP Fit Center 7039 is at 4.637967 -4.034848 -1.569193 ESP Fit Center 7040 is at 4.977784 -3.794979 -1.569193 ESP Fit Center 7041 is at 3.016009 -3.450101 -1.837816 ESP Fit Center 7042 is at 3.335270 -3.717994 -1.837816 ESP Fit Center 7043 is at 3.726903 -3.860536 -1.837816 ESP Fit Center 7044 is at 4.143670 -3.860536 -1.837816 ESP Fit Center 7045 is at 4.535302 -3.717994 -1.837816 ESP Fit Center 7046 is at 3.521988 -3.394589 -2.037422 ESP Fit Center 7047 is at 3.935286 -3.505332 -2.037422 ESP Fit Center 7048 is at 6.827564 -2.940655 2.014222 ESP Fit Center 7049 is at 7.130119 -2.638100 2.014222 ESP Fit Center 7050 is at 7.614297 -2.224801 1.814616 ESP Fit Center 7051 is at 6.205882 -3.406602 1.814616 ESP Fit Center 7052 is at 6.622649 -3.406602 1.814616 ESP Fit Center 7053 is at 7.014281 -3.264059 1.814616 ESP Fit Center 7054 is at 7.333543 -2.996167 1.814616 ESP Fit Center 7055 is at 7.541927 -2.635236 1.814616 ESP Fit Center 7056 is at 7.941616 -2.224801 1.545992 ESP Fit Center 7057 is at 5.902787 -3.663964 1.545992 ESP Fit Center 7058 is at 6.310036 -3.748591 1.545992 ESP Fit Center 7059 is at 6.725014 -3.720206 1.545992 ESP Fit Center 7060 is at 7.116946 -3.580914 1.545992 ESP Fit Center 7061 is at 7.456764 -3.341044 1.545992 ESP Fit Center 7062 is at 7.719264 -3.018388 1.545992 ESP Fit Center 7063 is at 7.884978 -2.636876 1.545992 ESP Fit Center 7064 is at 8.210240 -2.224801 1.218673 ESP Fit Center 7065 is at 8.161829 -1.810621 1.218673 ESP Fit Center 7066 is at 5.899174 -3.945326 1.218673 ESP Fit Center 7067 is at 6.309839 -4.017737 1.218673 ESP Fit Center 7068 is at 6.726133 -3.993491 1.218673 ESP Fit Center 7069 is at 7.125615 -3.873894 1.218673 ESP Fit Center 7070 is at 7.486747 -3.665394 1.218673 ESP Fit Center 7071 is at 7.790062 -3.379232 1.218673 ESP Fit Center 7072 is at 8.019207 -3.030833 1.218673 ESP Fit Center 7073 is at 8.161829 -2.638982 1.218673 ESP Fit Center 7074 is at 8.409845 -2.224801 0.845238 ESP Fit Center 7075 is at 8.366237 -1.809897 0.845238 ESP Fit Center 7076 is at 5.797598 -4.122711 0.845238 ESP Fit Center 7077 is at 6.205671 -4.209449 0.845238 ESP Fit Center 7078 is at 6.622860 -4.209449 0.845238 ESP Fit Center 7079 is at 7.030934 -4.122711 0.845238 ESP Fit Center 7080 is at 7.412055 -3.953024 0.845238 ESP Fit Center 7081 is at 7.749569 -3.707806 0.845238 ESP Fit Center 7082 is at 8.028724 -3.397774 0.845238 ESP Fit Center 7083 is at 8.237318 -3.036477 0.845238 ESP Fit Center 7084 is at 8.366237 -2.639706 0.845238 ESP Fit Center 7085 is at 8.532762 -2.224801 0.440037 ESP Fit Center 7086 is at 8.492055 -1.811503 0.440037 ESP Fit Center 7087 is at 5.603552 -4.182037 0.440037 ESP Fit Center 7088 is at 6.000967 -4.302591 0.440037 ESP Fit Center 7089 is at 6.414266 -4.343298 0.440037 ESP Fit Center 7090 is at 6.827564 -4.302591 0.440037 ESP Fit Center 7091 is at 7.224979 -4.182037 0.440037 ESP Fit Center 7092 is at 7.591239 -3.986267 0.440037 ESP Fit Center 7093 is at 7.912269 -3.722804 0.440037 ESP Fit Center 7094 is at 8.175731 -3.401775 0.440037 ESP Fit Center 7095 is at 8.371501 -3.035515 0.440037 ESP Fit Center 7096 is at 8.492055 -2.638100 0.440037 ESP Fit Center 7097 is at 8.574266 -2.224801 0.018642 ESP Fit Center 7098 is at 8.535232 -1.816019 0.018642 ESP Fit Center 7099 is at 5.707799 -4.266003 0.018642 ESP Fit Center 7100 is at 6.106866 -4.362816 0.018642 ESP Fit Center 7101 is at 6.517043 -4.382355 0.018642 ESP Fit Center 7102 is at 6.923505 -4.323914 0.018642 ESP Fit Center 7103 is at 7.311562 -4.189607 0.018642 ESP Fit Center 7104 is at 7.667189 -3.984286 0.018642 ESP Fit Center 7105 is at 7.977531 -3.715372 0.018642 ESP Fit Center 7106 is at 8.231373 -3.392586 0.018642 ESP Fit Center 7107 is at 8.419540 -3.027592 0.018642 ESP Fit Center 7108 is at 8.535232 -2.633584 0.018642 ESP Fit Center 7109 is at 8.532762 -2.224801 -0.402753 ESP Fit Center 7110 is at 8.492055 -1.811503 -0.402753 ESP Fit Center 7111 is at 5.603552 -4.182037 -0.402753 ESP Fit Center 7112 is at 6.000967 -4.302591 -0.402753 ESP Fit Center 7113 is at 6.414266 -4.343298 -0.402753 ESP Fit Center 7114 is at 6.827564 -4.302591 -0.402753 ESP Fit Center 7115 is at 7.224979 -4.182037 -0.402753 ESP Fit Center 7116 is at 7.591239 -3.986267 -0.402753 ESP Fit Center 7117 is at 7.912269 -3.722804 -0.402753 ESP Fit Center 7118 is at 8.175731 -3.401775 -0.402753 ESP Fit Center 7119 is at 8.371501 -3.035515 -0.402753 ESP Fit Center 7120 is at 8.492055 -2.638100 -0.402753 ESP Fit Center 7121 is at 8.409845 -2.224801 -0.807954 ESP Fit Center 7122 is at 8.366237 -1.809897 -0.807954 ESP Fit Center 7123 is at 5.797598 -4.122711 -0.807954 ESP Fit Center 7124 is at 6.205671 -4.209449 -0.807954 ESP Fit Center 7125 is at 6.622860 -4.209449 -0.807954 ESP Fit Center 7126 is at 7.030934 -4.122711 -0.807954 ESP Fit Center 7127 is at 7.412055 -3.953024 -0.807954 ESP Fit Center 7128 is at 7.749569 -3.707806 -0.807954 ESP Fit Center 7129 is at 8.028724 -3.397774 -0.807954 ESP Fit Center 7130 is at 8.237318 -3.036477 -0.807954 ESP Fit Center 7131 is at 8.366237 -2.639706 -0.807954 ESP Fit Center 7132 is at 8.210240 -2.224801 -1.181390 ESP Fit Center 7133 is at 8.161829 -1.810621 -1.181390 ESP Fit Center 7134 is at 5.899174 -3.945326 -1.181390 ESP Fit Center 7135 is at 6.309839 -4.017737 -1.181390 ESP Fit Center 7136 is at 6.726133 -3.993491 -1.181390 ESP Fit Center 7137 is at 7.125615 -3.873894 -1.181390 ESP Fit Center 7138 is at 7.486747 -3.665394 -1.181390 ESP Fit Center 7139 is at 7.790062 -3.379232 -1.181390 ESP Fit Center 7140 is at 8.019207 -3.030833 -1.181390 ESP Fit Center 7141 is at 8.161829 -2.638982 -1.181390 ESP Fit Center 7142 is at 7.941616 -2.224801 -1.508709 ESP Fit Center 7143 is at 5.902787 -3.663964 -1.508709 ESP Fit Center 7144 is at 6.310036 -3.748591 -1.508709 ESP Fit Center 7145 is at 6.725014 -3.720206 -1.508709 ESP Fit Center 7146 is at 7.116946 -3.580914 -1.508709 ESP Fit Center 7147 is at 7.456764 -3.341044 -1.508709 ESP Fit Center 7148 is at 7.719264 -3.018388 -1.508709 ESP Fit Center 7149 is at 7.884978 -2.636876 -1.508709 ESP Fit Center 7150 is at 7.614297 -2.224801 -1.777333 ESP Fit Center 7151 is at 6.205882 -3.406602 -1.777333 ESP Fit Center 7152 is at 6.622649 -3.406602 -1.777333 ESP Fit Center 7153 is at 7.014281 -3.264059 -1.777333 ESP Fit Center 7154 is at 7.333543 -2.996167 -1.777333 ESP Fit Center 7155 is at 7.541927 -2.635236 -1.777333 ESP Fit Center 7156 is at 6.827564 -2.940655 -1.976938 ESP Fit Center 7157 is at 7.130119 -2.638100 -1.976938 ESP Fit Center 7158 is at 8.046705 0.024744 2.088721 ESP Fit Center 7159 is at 7.935962 0.438043 2.088721 ESP Fit Center 7160 is at 8.420140 0.024744 1.889115 ESP Fit Center 7161 is at 8.347770 0.435179 1.889115 ESP Fit Center 7162 is at 8.139386 0.796110 1.889115 ESP Fit Center 7163 is at 7.820125 1.064002 1.889115 ESP Fit Center 7164 is at 8.139386 -0.746621 1.889115 ESP Fit Center 7165 is at 8.347770 -0.385691 1.889115 ESP Fit Center 7166 is at 8.747459 0.024744 1.620491 ESP Fit Center 7167 is at 8.690821 0.436819 1.620491 ESP Fit Center 7168 is at 8.525107 0.818331 1.620491 ESP Fit Center 7169 is at 8.262607 1.140987 1.620491 ESP Fit Center 7170 is at 7.922789 1.380856 1.620491 ESP Fit Center 7171 is at 8.262607 -1.091498 1.620491 ESP Fit Center 7172 is at 8.525107 -0.768842 1.620491 ESP Fit Center 7173 is at 8.690821 -0.387330 1.620491 ESP Fit Center 7174 is at 9.016083 0.024744 1.293172 ESP Fit Center 7175 is at 8.967672 0.438925 1.293172 ESP Fit Center 7176 is at 8.825050 0.830776 1.293172 ESP Fit Center 7177 is at 8.595905 1.179174 1.293172 ESP Fit Center 7178 is at 8.292590 1.465337 1.293172 ESP Fit Center 7179 is at 7.931458 1.673837 1.293172 ESP Fit Center 7180 is at 8.292590 -1.415848 1.293172 ESP Fit Center 7181 is at 8.595905 -1.129686 1.293172 ESP Fit Center 7182 is at 8.825050 -0.781287 1.293172 ESP Fit Center 7183 is at 8.967672 -0.389436 1.293172 ESP Fit Center 7184 is at 9.215689 0.024744 0.919737 ESP Fit Center 7185 is at 9.172080 0.439649 0.919737 ESP Fit Center 7186 is at 9.043162 0.836420 0.919737 ESP Fit Center 7187 is at 8.834567 1.197717 0.919737 ESP Fit Center 7188 is at 8.555412 1.507749 0.919737 ESP Fit Center 7189 is at 8.217899 1.752967 0.919737 ESP Fit Center 7190 is at 7.836777 1.922654 0.919737 ESP Fit Center 7191 is at 8.555412 -1.458260 0.919737 ESP Fit Center 7192 is at 8.834567 -1.148228 0.919737 ESP Fit Center 7193 is at 9.043162 -0.786931 0.919737 ESP Fit Center 7194 is at 9.172080 -0.390160 0.919737 ESP Fit Center 7195 is at 9.338605 0.024744 0.514536 ESP Fit Center 7196 is at 9.297899 0.438043 0.514536 ESP Fit Center 7197 is at 9.177344 0.835458 0.514536 ESP Fit Center 7198 is at 8.981574 1.201718 0.514536 ESP Fit Center 7199 is at 8.718112 1.522747 0.514536 ESP Fit Center 7200 is at 8.397082 1.786210 0.514536 ESP Fit Center 7201 is at 8.030822 1.981980 0.514536 ESP Fit Center 7202 is at 8.718112 -1.473259 0.514536 ESP Fit Center 7203 is at 8.981574 -1.152229 0.514536 ESP Fit Center 7204 is at 9.177344 -0.785969 0.514536 ESP Fit Center 7205 is at 9.297899 -0.388554 0.514536 ESP Fit Center 7206 is at 9.380109 0.024744 0.093141 ESP Fit Center 7207 is at 9.341075 0.433527 0.093141 ESP Fit Center 7208 is at 9.225384 0.827535 0.093141 ESP Fit Center 7209 is at 9.037216 1.192529 0.093141 ESP Fit Center 7210 is at 8.783374 1.515315 0.093141 ESP Fit Center 7211 is at 8.473032 1.784228 0.093141 ESP Fit Center 7212 is at 8.117405 1.989550 0.093141 ESP Fit Center 7213 is at 8.783374 -1.465826 0.093141 ESP Fit Center 7214 is at 9.037216 -1.143040 0.093141 ESP Fit Center 7215 is at 9.225384 -0.778046 0.093141 ESP Fit Center 7216 is at 9.341075 -0.384038 0.093141 ESP Fit Center 7217 is at 9.338605 0.024744 -0.328254 ESP Fit Center 7218 is at 9.297899 0.438043 -0.328254 ESP Fit Center 7219 is at 9.177344 0.835458 -0.328254 ESP Fit Center 7220 is at 8.981574 1.201718 -0.328254 ESP Fit Center 7221 is at 8.718112 1.522747 -0.328254 ESP Fit Center 7222 is at 8.397082 1.786210 -0.328254 ESP Fit Center 7223 is at 8.030822 1.981980 -0.328254 ESP Fit Center 7224 is at 8.718112 -1.473259 -0.328254 ESP Fit Center 7225 is at 8.981574 -1.152229 -0.328254 ESP Fit Center 7226 is at 9.177344 -0.785969 -0.328254 ESP Fit Center 7227 is at 9.297899 -0.388554 -0.328254 ESP Fit Center 7228 is at 9.215689 0.024744 -0.733455 ESP Fit Center 7229 is at 9.172080 0.439649 -0.733455 ESP Fit Center 7230 is at 9.043162 0.836420 -0.733455 ESP Fit Center 7231 is at 8.834567 1.197717 -0.733455 ESP Fit Center 7232 is at 8.555412 1.507749 -0.733455 ESP Fit Center 7233 is at 8.217899 1.752967 -0.733455 ESP Fit Center 7234 is at 7.836777 1.922654 -0.733455 ESP Fit Center 7235 is at 8.555412 -1.458260 -0.733455 ESP Fit Center 7236 is at 8.834567 -1.148228 -0.733455 ESP Fit Center 7237 is at 9.043162 -0.786931 -0.733455 ESP Fit Center 7238 is at 9.172080 -0.390160 -0.733455 ESP Fit Center 7239 is at 9.016083 0.024744 -1.106891 ESP Fit Center 7240 is at 8.967672 0.438925 -1.106891 ESP Fit Center 7241 is at 8.825050 0.830776 -1.106891 ESP Fit Center 7242 is at 8.595905 1.179174 -1.106891 ESP Fit Center 7243 is at 8.292590 1.465337 -1.106891 ESP Fit Center 7244 is at 7.931458 1.673837 -1.106891 ESP Fit Center 7245 is at 8.292590 -1.415848 -1.106891 ESP Fit Center 7246 is at 8.595905 -1.129686 -1.106891 ESP Fit Center 7247 is at 8.825050 -0.781287 -1.106891 ESP Fit Center 7248 is at 8.967672 -0.389436 -1.106891 ESP Fit Center 7249 is at 8.747459 0.024744 -1.434210 ESP Fit Center 7250 is at 8.690821 0.436819 -1.434210 ESP Fit Center 7251 is at 8.525107 0.818331 -1.434210 ESP Fit Center 7252 is at 8.262607 1.140987 -1.434210 ESP Fit Center 7253 is at 7.922789 1.380856 -1.434210 ESP Fit Center 7254 is at 8.262607 -1.091498 -1.434210 ESP Fit Center 7255 is at 8.525107 -0.768842 -1.434210 ESP Fit Center 7256 is at 8.690821 -0.387330 -1.434210 ESP Fit Center 7257 is at 8.420140 0.024744 -1.702834 ESP Fit Center 7258 is at 8.347770 0.435179 -1.702834 ESP Fit Center 7259 is at 8.139386 0.796110 -1.702834 ESP Fit Center 7260 is at 7.820125 1.064002 -1.702834 ESP Fit Center 7261 is at 8.139386 -0.746621 -1.702834 ESP Fit Center 7262 is at 8.347770 -0.385691 -1.702834 ESP Fit Center 7263 is at 8.046705 0.024744 -1.902439 ESP Fit Center 7264 is at 7.935962 0.438043 -1.902439 ESP Fit Center 7265 is at 6.001785 2.665295 2.106667 ESP Fit Center 7266 is at 5.588487 2.776038 2.106667 ESP Fit Center 7267 is at 6.716148 2.359877 1.907062 ESP Fit Center 7268 is at 6.507765 2.720807 1.907062 ESP Fit Center 7269 is at 6.188503 2.988699 1.907062 ESP Fit Center 7270 is at 5.796870 3.131242 1.907062 ESP Fit Center 7271 is at 5.380104 3.131242 1.907062 ESP Fit Center 7272 is at 4.988471 2.988699 1.907062 ESP Fit Center 7273 is at 7.059199 2.361516 1.638438 ESP Fit Center 7274 is at 6.893485 2.743028 1.638438 ESP Fit Center 7275 is at 6.630985 3.065684 1.638438 ESP Fit Center 7276 is at 6.291168 3.305554 1.638438 ESP Fit Center 7277 is at 5.899236 3.444846 1.638438 ESP Fit Center 7278 is at 5.484257 3.473232 1.638438 ESP Fit Center 7279 is at 5.077008 3.388604 1.638438 ESP Fit Center 7280 is at 4.707694 3.197241 1.638438 ESP Fit Center 7281 is at 7.336051 2.363622 1.311119 ESP Fit Center 7282 is at 7.193428 2.755473 1.311119 ESP Fit Center 7283 is at 6.964283 3.103872 1.311119 ESP Fit Center 7284 is at 6.660968 3.390034 1.311119 ESP Fit Center 7285 is at 6.299836 3.598534 1.311119 ESP Fit Center 7286 is at 5.900355 3.718131 1.311119 ESP Fit Center 7287 is at 5.484060 3.742377 1.311119 ESP Fit Center 7288 is at 5.073396 3.669966 1.311119 ESP Fit Center 7289 is at 4.690500 3.504801 1.311119 ESP Fit Center 7290 is at 4.356014 3.255786 1.311119 ESP Fit Center 7291 is at 7.540458 2.364346 0.937684 ESP Fit Center 7292 is at 7.411540 2.761117 0.937684 ESP Fit Center 7293 is at 7.202945 3.122414 0.937684 ESP Fit Center 7294 is at 6.923790 3.432446 0.937684 ESP Fit Center 7295 is at 6.586277 3.677664 0.937684 ESP Fit Center 7296 is at 6.205155 3.847351 0.937684 ESP Fit Center 7297 is at 5.797082 3.934089 0.937684 ESP Fit Center 7298 is at 5.379892 3.934089 0.937684 ESP Fit Center 7299 is at 4.971819 3.847351 0.937684 ESP Fit Center 7300 is at 4.590697 3.677664 0.937684 ESP Fit Center 7301 is at 4.253183 3.432446 0.937684 ESP Fit Center 7302 is at 7.666277 2.362740 0.532483 ESP Fit Center 7303 is at 7.545722 2.760155 0.532483 ESP Fit Center 7304 is at 7.349952 3.126415 0.532483 ESP Fit Center 7305 is at 7.086490 3.447445 0.532483 ESP Fit Center 7306 is at 6.765460 3.710907 0.532483 ESP Fit Center 7307 is at 6.399200 3.906677 0.532483 ESP Fit Center 7308 is at 6.001785 4.027231 0.532483 ESP Fit Center 7309 is at 5.588487 4.067938 0.532483 ESP Fit Center 7310 is at 5.175189 4.027231 0.532483 ESP Fit Center 7311 is at 4.777773 3.906677 0.532483 ESP Fit Center 7312 is at 4.411513 3.710907 0.532483 ESP Fit Center 7313 is at 7.709453 2.358224 0.111088 ESP Fit Center 7314 is at 7.593762 2.752232 0.111088 ESP Fit Center 7315 is at 7.405595 3.117226 0.111088 ESP Fit Center 7316 is at 7.151752 3.440012 0.111088 ESP Fit Center 7317 is at 6.841410 3.708926 0.111088 ESP Fit Center 7318 is at 6.485783 3.914247 0.111088 ESP Fit Center 7319 is at 6.097726 4.048554 0.111088 ESP Fit Center 7320 is at 5.691264 4.106995 0.111088 ESP Fit Center 7321 is at 5.281087 4.087456 0.111088 ESP Fit Center 7322 is at 4.882020 3.990643 0.111088 ESP Fit Center 7323 is at 4.508487 3.820056 0.111088 ESP Fit Center 7324 is at 4.173988 3.581861 0.111088 ESP Fit Center 7325 is at 7.666277 2.362740 -0.310308 ESP Fit Center 7326 is at 7.545722 2.760155 -0.310308 ESP Fit Center 7327 is at 7.349952 3.126415 -0.310308 ESP Fit Center 7328 is at 7.086490 3.447445 -0.310308 ESP Fit Center 7329 is at 6.765460 3.710907 -0.310308 ESP Fit Center 7330 is at 6.399200 3.906677 -0.310308 ESP Fit Center 7331 is at 6.001785 4.027231 -0.310308 ESP Fit Center 7332 is at 5.588487 4.067938 -0.310308 ESP Fit Center 7333 is at 5.175189 4.027231 -0.310308 ESP Fit Center 7334 is at 4.777773 3.906677 -0.310308 ESP Fit Center 7335 is at 4.411513 3.710907 -0.310308 ESP Fit Center 7336 is at 7.540458 2.364346 -0.715509 ESP Fit Center 7337 is at 7.411540 2.761117 -0.715509 ESP Fit Center 7338 is at 7.202945 3.122414 -0.715509 ESP Fit Center 7339 is at 6.923790 3.432446 -0.715509 ESP Fit Center 7340 is at 6.586277 3.677664 -0.715509 ESP Fit Center 7341 is at 6.205155 3.847351 -0.715509 ESP Fit Center 7342 is at 5.797082 3.934089 -0.715509 ESP Fit Center 7343 is at 5.379892 3.934089 -0.715509 ESP Fit Center 7344 is at 4.971819 3.847351 -0.715509 ESP Fit Center 7345 is at 4.590697 3.677664 -0.715509 ESP Fit Center 7346 is at 4.253183 3.432446 -0.715509 ESP Fit Center 7347 is at 7.336051 2.363622 -1.088944 ESP Fit Center 7348 is at 7.193428 2.755473 -1.088944 ESP Fit Center 7349 is at 6.964283 3.103872 -1.088944 ESP Fit Center 7350 is at 6.660968 3.390034 -1.088944 ESP Fit Center 7351 is at 6.299836 3.598534 -1.088944 ESP Fit Center 7352 is at 5.900355 3.718131 -1.088944 ESP Fit Center 7353 is at 5.484060 3.742377 -1.088944 ESP Fit Center 7354 is at 5.073396 3.669966 -1.088944 ESP Fit Center 7355 is at 4.690500 3.504801 -1.088944 ESP Fit Center 7356 is at 4.356014 3.255786 -1.088944 ESP Fit Center 7357 is at 7.059199 2.361516 -1.416263 ESP Fit Center 7358 is at 6.893485 2.743028 -1.416263 ESP Fit Center 7359 is at 6.630985 3.065684 -1.416263 ESP Fit Center 7360 is at 6.291168 3.305554 -1.416263 ESP Fit Center 7361 is at 5.899236 3.444846 -1.416263 ESP Fit Center 7362 is at 5.484257 3.473232 -1.416263 ESP Fit Center 7363 is at 5.077008 3.388604 -1.416263 ESP Fit Center 7364 is at 4.707694 3.197241 -1.416263 ESP Fit Center 7365 is at 6.716148 2.359877 -1.684887 ESP Fit Center 7366 is at 6.507765 2.720807 -1.684887 ESP Fit Center 7367 is at 6.188503 2.988699 -1.684887 ESP Fit Center 7368 is at 5.796870 3.131242 -1.684887 ESP Fit Center 7369 is at 5.380104 3.131242 -1.684887 ESP Fit Center 7370 is at 4.988471 2.988699 -1.684887 ESP Fit Center 7371 is at 6.001785 2.665295 -1.884492 ESP Fit Center 7372 is at 5.588487 2.776038 -1.884492 ESP Fit Center 7373 is at 3.448820 2.707467 1.849742 ESP Fit Center 7374 is at 3.551185 3.021071 1.581118 ESP Fit Center 7375 is at 3.951786 3.174759 1.253799 ESP Fit Center 7376 is at 3.552304 3.294356 1.253799 ESP Fit Center 7377 is at 3.857105 3.423576 0.880363 ESP Fit Center 7378 is at 3.449031 3.510314 0.880363 ESP Fit Center 7379 is at 4.051150 3.482902 0.475162 ESP Fit Center 7380 is at 3.653735 3.603456 0.475162 ESP Fit Center 7381 is at 3.749676 3.624779 0.053767 ESP Fit Center 7382 is at 4.051150 3.482902 -0.367628 ESP Fit Center 7383 is at 3.653735 3.603456 -0.367628 ESP Fit Center 7384 is at 3.857105 3.423576 -0.772829 ESP Fit Center 7385 is at 3.449031 3.510314 -0.772829 ESP Fit Center 7386 is at 3.951786 3.174759 -1.146264 ESP Fit Center 7387 is at 3.552304 3.294356 -1.146264 ESP Fit Center 7388 is at 3.551185 3.021071 -1.473583 ESP Fit Center 7389 is at 3.448820 2.707467 -1.742207 ESP Fit Center 7390 is at -3.506649 -1.822476 -2.904706 ESP Fit Center 7391 is at -4.826923 -1.755167 -3.041824 ESP Fit Center 7392 is at -4.422228 -1.863604 -3.041824 ESP Fit Center 7393 is at -4.017532 -1.755167 -3.041824 ESP Fit Center 7394 is at -3.721275 -1.458909 -3.041824 ESP Fit Center 7395 is at -4.217978 -1.407985 -3.125130 ESP Fit Center 7396 is at -4.943196 -1.118234 4.291042 ESP Fit Center 7397 is at -4.534696 -1.118234 4.263099 ESP Fit Center 7398 is at -4.738946 -0.764463 4.263099 ESP Fit Center 7399 is at -5.147446 -0.764463 4.263099 ESP Fit Center 7400 is at -5.351696 -1.118234 4.263099 ESP Fit Center 7401 is at -5.147446 -1.472006 4.263099 ESP Fit Center 7402 is at -4.738946 -1.472006 4.263099 ESP Fit Center 7403 is at -4.133806 -1.118234 4.179793 ESP Fit Center 7404 is at -4.242243 -0.713539 4.179793 ESP Fit Center 7405 is at -4.538501 -0.417282 4.179793 ESP Fit Center 7406 is at -4.943196 -0.308844 4.179793 ESP Fit Center 7407 is at -5.347891 -0.417282 4.179793 ESP Fit Center 7408 is at -5.644149 -0.713539 4.179793 ESP Fit Center 7409 is at -5.752586 -1.118234 4.179793 ESP Fit Center 7410 is at -5.644149 -1.522929 4.179793 ESP Fit Center 7411 is at -5.347891 -1.819187 4.179793 ESP Fit Center 7412 is at -4.943196 -1.927625 4.179793 ESP Fit Center 7413 is at -3.747993 -1.118234 4.042675 ESP Fit Center 7414 is at -3.820072 -0.709451 4.042675 ESP Fit Center 7415 is at -5.858775 -0.349972 4.042675 ESP Fit Center 7416 is at -6.066320 -0.709451 4.042675 ESP Fit Center 7417 is at -6.138399 -1.118234 4.042675 ESP Fit Center 7418 is at -6.066320 -1.527018 4.042675 ESP Fit Center 7419 is at -5.858775 -1.886496 4.042675 ESP Fit Center 7420 is at -5.540798 -2.153311 4.042675 ESP Fit Center 7421 is at -3.442247 -0.697688 3.854300 ESP Fit Center 7422 is at -6.152337 -0.134525 3.854300 ESP Fit Center 7423 is at -6.372901 -0.497226 3.854300 ESP Fit Center 7424 is at -6.487430 -0.905984 3.854300 ESP Fit Center 7425 is at -6.487430 -1.330484 3.854300 ESP Fit Center 7426 is at -6.372901 -1.739243 3.854300 ESP Fit Center 7427 is at -6.152337 -2.101944 3.854300 ESP Fit Center 7428 is at -5.842097 -2.391688 3.854300 ESP Fit Center 7429 is at -3.094196 -0.711239 3.618175 ESP Fit Center 7430 is at -3.224916 -0.323273 3.618175 ESP Fit Center 7431 is at -6.317697 0.183762 3.618175 ESP Fit Center 7432 is at -6.565453 -0.142155 3.618175 ESP Fit Center 7433 is at -6.737353 -0.513712 3.618175 ESP Fit Center 7434 is at -6.825361 -0.913536 3.618175 ESP Fit Center 7435 is at -6.825361 -1.322932 3.618175 ESP Fit Center 7436 is at -6.737353 -1.722756 3.618175 ESP Fit Center 7437 is at -6.565453 -2.094314 3.618175 ESP Fit Center 7438 is at -6.317697 -2.420231 3.618175 ESP Fit Center 7439 is at -6.005671 -2.685268 3.618175 ESP Fit Center 7440 is at -2.790310 -0.703299 3.338701 ESP Fit Center 7441 is at -2.907742 -0.303361 3.338701 ESP Fit Center 7442 is at -6.666624 0.237084 3.338701 ESP Fit Center 7443 is at -6.891975 -0.113569 3.338701 ESP Fit Center 7444 is at -7.046892 -0.500533 3.338701 ESP Fit Center 7445 is at -6.666624 -2.473553 3.338701 ESP Fit Center 7446 is at -6.378983 -2.775221 3.338701 ESP Fit Center 7447 is at -6.039450 -3.017002 3.338701 ESP Fit Center 7448 is at -2.527540 -0.704029 3.021083 ESP Fit Center 7449 is at -2.632289 -0.301739 3.021083 ESP Fit Center 7450 is at -6.712645 0.577645 3.021083 ESP Fit Center 7451 is at -6.973798 0.254213 3.021083 ESP Fit Center 7452 is at -7.176535 -0.108702 3.021083 ESP Fit Center 7453 is at -6.400588 -3.088759 3.021083 ESP Fit Center 7454 is at -6.046605 -3.306715 3.021083 ESP Fit Center 7455 is at -6.826685 0.765255 2.671237 ESP Fit Center 7456 is at -7.098139 0.447423 2.671237 ESP Fit Center 7457 is at -6.508853 -3.273177 2.671237 ESP Fit Center 7458 is at -6.152470 -3.491569 2.671237 ESP Fit Center 7459 is at -6.905193 0.916776 2.295680 ESP Fit Center 7460 is at -7.180585 0.609421 2.295680 ESP Fit Center 7461 is at -6.235721 -3.632211 2.295680 ESP Fit Center 7462 is at -5.855909 -3.793614 2.295680 ESP Fit Center 7463 is at -7.056078 0.922153 1.901410 ESP Fit Center 7464 is at -7.319483 0.608239 1.901410 ESP Fit Center 7465 is at -6.411822 -3.661969 1.901410 ESP Fit Center 7466 is at -6.043510 -3.841607 1.901410 ESP Fit Center 7467 is at -5.653782 -3.968238 1.901410 ESP Fit Center 7468 is at -6.785875 1.240287 1.495769 ESP Fit Center 7469 is at -7.096185 0.960883 1.495769 ESP Fit Center 7470 is at -7.364589 0.641011 1.495769 ESP Fit Center 7471 is at -6.439699 -3.710254 1.495769 ESP Fit Center 7472 is at -6.064396 -3.893301 1.495769 ESP Fit Center 7473 is at -5.667270 -4.022336 1.495769 ESP Fit Center 7474 is at -6.785875 1.240287 1.086314 ESP Fit Center 7475 is at -7.096185 0.960883 1.086314 ESP Fit Center 7476 is at -7.364589 0.641011 1.086314 ESP Fit Center 7477 is at -6.439699 -3.710254 1.086314 ESP Fit Center 7478 is at -6.064396 -3.893301 1.086314 ESP Fit Center 7479 is at -5.667270 -4.022336 1.086314 ESP Fit Center 7480 is at -5.256050 -4.094845 1.086314 ESP Fit Center 7481 is at -6.411822 -3.661969 0.680674 ESP Fit Center 7482 is at -6.043510 -3.841607 0.680674 ESP Fit Center 7483 is at -5.653782 -3.968238 0.680674 ESP Fit Center 7484 is at -5.250222 -4.039396 0.680674 ESP Fit Center 7485 is at -6.235721 -3.632211 0.286403 ESP Fit Center 7486 is at -5.440656 2.145172 0.906336 ESP Fit Center 7487 is at -5.845104 2.047054 0.906336 ESP Fit Center 7488 is at -6.223674 1.874166 0.906336 ESP Fit Center 7489 is at -6.562684 1.632758 0.906336 ESP Fit Center 7490 is at -6.849881 1.331555 0.906336 ESP Fit Center 7491 is at -5.437112 2.383557 0.560565 ESP Fit Center 7492 is at -5.839168 2.296907 0.560565 ESP Fit Center 7493 is at -6.220796 2.143556 0.560565 ESP Fit Center 7494 is at -6.571019 1.927915 0.560565 ESP Fit Center 7495 is at -6.879761 1.656188 0.560565 ESP Fit Center 7496 is at -5.536848 2.552683 0.183520 ESP Fit Center 7497 is at -5.934547 2.457204 0.183520 ESP Fit Center 7498 is at -6.312412 2.300687 0.183520 ESP Fit Center 7499 is at -6.661141 2.086985 0.183520 ESP Fit Center 7500 is at -6.972146 1.821362 0.183520 ESP Fit Center 7501 is at -5.442173 2.690113 -0.216376 ESP Fit Center 7502 is at -5.852456 2.610543 -0.216376 ESP Fit Center 7503 is at -6.245785 2.469276 -0.216376 ESP Fit Center 7504 is at -6.612940 2.269624 -0.216376 ESP Fit Center 7505 is at -6.945315 2.016265 -0.216376 ESP Fit Center 7506 is at -5.337770 2.762689 -0.630191 ESP Fit Center 7507 is at -5.750427 2.700491 -0.630191 ESP Fit Center 7508 is at -6.149205 2.577484 -0.630191 ESP Fit Center 7509 is at -6.525196 2.396417 -0.630191 ESP Fit Center 7510 is at -6.870000 2.161333 -0.630191 ESP Fit Center 7511 is at -5.337770 2.762689 -1.048679 ESP Fit Center 7512 is at -5.750427 2.700491 -1.048679 ESP Fit Center 7513 is at -6.149205 2.577484 -1.048679 ESP Fit Center 7514 is at -6.525196 2.396417 -1.048679 ESP Fit Center 7515 is at -6.870000 2.161333 -1.048679 ESP Fit Center 7516 is at -5.024552 2.706121 -1.462494 ESP Fit Center 7517 is at -5.442173 2.690113 -1.462494 ESP Fit Center 7518 is at -5.852456 2.610543 -1.462494 ESP Fit Center 7519 is at -6.245785 2.469276 -1.462494 ESP Fit Center 7520 is at -6.612940 2.269624 -1.462494 ESP Fit Center 7521 is at -6.945315 2.016265 -1.462494 ESP Fit Center 7522 is at -5.129110 2.584772 -1.862390 ESP Fit Center 7523 is at -5.536848 2.552683 -1.862390 ESP Fit Center 7524 is at -5.934547 2.457204 -1.862390 ESP Fit Center 7525 is at -6.312412 2.300687 -1.862390 ESP Fit Center 7526 is at -6.661141 2.086985 -1.862390 ESP Fit Center 7527 is at -6.972146 1.821362 -1.862390 ESP Fit Center 7528 is at -5.026196 2.401012 -2.239435 ESP Fit Center 7529 is at -5.437112 2.383557 -2.239435 ESP Fit Center 7530 is at -5.839168 2.296907 -2.239435 ESP Fit Center 7531 is at -6.220796 2.143556 -2.239435 ESP Fit Center 7532 is at -6.571019 1.927915 -2.239435 ESP Fit Center 7533 is at -6.879761 1.656188 -2.239435 ESP Fit Center 7534 is at -4.613004 2.105746 -2.585207 ESP Fit Center 7535 is at -5.024947 2.164974 -2.585207 ESP Fit Center 7536 is at -5.440656 2.145172 -2.585207 ESP Fit Center 7537 is at -5.845104 2.047054 -2.585207 ESP Fit Center 7538 is at -6.223674 1.874166 -2.585207 ESP Fit Center 7539 is at -6.562684 1.632758 -2.585207 ESP Fit Center 7540 is at -6.849881 1.331555 -2.585207 ESP Fit Center 7541 is at -6.223674 -1.917515 -2.585207 ESP Fit Center 7542 is at -4.237034 1.660960 -2.891980 ESP Fit Center 7543 is at -4.619607 1.813391 -2.891980 ESP Fit Center 7544 is at -5.026004 1.880016 -2.891980 ESP Fit Center 7545 is at -5.437222 1.857721 -2.891980 ESP Fit Center 7546 is at -5.834032 1.747547 -2.891980 ESP Fit Center 7547 is at -6.197882 1.554646 -2.891980 ESP Fit Center 7548 is at -6.511757 1.288038 -2.891980 ESP Fit Center 7549 is at -6.760981 0.960190 -2.891980 ESP Fit Center 7550 is at -6.197882 -1.597994 -2.891980 ESP Fit Center 7551 is at -5.834032 -1.790895 -2.891980 ESP Fit Center 7552 is at -5.437222 -1.901069 -2.891980 ESP Fit Center 7553 is at -3.551814 -0.021674 -3.152904 ESP Fit Center 7554 is at -3.605559 0.386560 -3.152904 ESP Fit Center 7555 is at -3.763132 0.766974 -3.152904 ESP Fit Center 7556 is at -4.013794 1.093643 -3.152904 ESP Fit Center 7557 is at -4.340462 1.344304 -3.152904 ESP Fit Center 7558 is at -4.720876 1.501877 -3.152904 ESP Fit Center 7559 is at -5.129110 1.555622 -3.152904 ESP Fit Center 7560 is at -5.537345 1.501877 -3.152904 ESP Fit Center 7561 is at -5.917758 1.344304 -3.152904 ESP Fit Center 7562 is at -6.244427 1.093643 -3.152904 ESP Fit Center 7563 is at -6.495089 0.766974 -3.152904 ESP Fit Center 7564 is at -6.652661 0.386560 -3.152904 ESP Fit Center 7565 is at -6.706407 -0.021674 -3.152904 ESP Fit Center 7566 is at -6.495089 -0.810322 -3.152904 ESP Fit Center 7567 is at -6.244427 -1.136991 -3.152904 ESP Fit Center 7568 is at -5.917758 -1.387653 -3.152904 ESP Fit Center 7569 is at -5.537345 -1.545225 -3.152904 ESP Fit Center 7570 is at -5.129110 -1.598970 -3.152904 ESP Fit Center 7571 is at -4.720876 -1.545225 -3.152904 ESP Fit Center 7572 is at -4.340462 -1.387653 -3.152904 ESP Fit Center 7573 is at -4.013794 -1.136991 -3.152904 ESP Fit Center 7574 is at -3.763132 -0.810322 -3.152904 ESP Fit Center 7575 is at -3.605559 -0.429908 -3.152904 ESP Fit Center 7576 is at -3.914236 -0.021674 -3.362148 ESP Fit Center 7577 is at -3.987502 0.393837 -3.362148 ESP Fit Center 7578 is at -4.198463 0.759232 -3.362148 ESP Fit Center 7579 is at -4.521673 1.030438 -3.362148 ESP Fit Center 7580 is at -4.918150 1.174744 -3.362148 ESP Fit Center 7581 is at -5.340071 1.174744 -3.362148 ESP Fit Center 7582 is at -5.736548 1.030438 -3.362148 ESP Fit Center 7583 is at -6.059758 0.759232 -3.362148 ESP Fit Center 7584 is at -6.270719 0.393837 -3.362148 ESP Fit Center 7585 is at -6.343985 -0.021674 -3.362148 ESP Fit Center 7586 is at -6.270719 -0.437186 -3.362148 ESP Fit Center 7587 is at -6.059758 -0.802580 -3.362148 ESP Fit Center 7588 is at -5.736548 -1.073786 -3.362148 ESP Fit Center 7589 is at -5.340071 -1.218092 -3.362148 ESP Fit Center 7590 is at -4.918150 -1.218092 -3.362148 ESP Fit Center 7591 is at -4.521673 -1.073786 -3.362148 ESP Fit Center 7592 is at -4.198463 -0.802580 -3.362148 ESP Fit Center 7593 is at -3.987502 -0.437186 -3.362148 ESP Fit Center 7594 is at -4.303796 -0.021674 -3.515039 ESP Fit Center 7595 is at -4.414367 0.390983 -3.515039 ESP Fit Center 7596 is at -4.716453 0.693069 -3.515039 ESP Fit Center 7597 is at -5.129110 0.803640 -3.515039 ESP Fit Center 7598 is at -5.541768 0.693069 -3.515039 ESP Fit Center 7599 is at -5.843854 0.390983 -3.515039 ESP Fit Center 7600 is at -5.954425 -0.021674 -3.515039 ESP Fit Center 7601 is at -5.843854 -0.434331 -3.515039 ESP Fit Center 7602 is at -5.541768 -0.736418 -3.515039 ESP Fit Center 7603 is at -5.129110 -0.846989 -3.515039 ESP Fit Center 7604 is at -4.716453 -0.736418 -3.515039 ESP Fit Center 7605 is at -4.414367 -0.434331 -3.515039 ESP Fit Center 7606 is at -4.711792 -0.021674 -3.608161 ESP Fit Center 7607 is at -4.920451 0.339734 -3.608161 ESP Fit Center 7608 is at -5.337770 0.339734 -3.608161 ESP Fit Center 7609 is at -5.546429 -0.021674 -3.608161 ESP Fit Center 7610 is at -5.337770 -0.383082 -3.608161 ESP Fit Center 7611 is at -4.920451 -0.383082 -3.608161 ESP Fit Center 7612 is at -5.129110 -0.021674 -3.639435 ESP Fit Center 7613 is at 1.265525 -0.335800 2.946707 ESP Fit Center 7614 is at 1.870665 0.017971 2.863401 ESP Fit Center 7615 is at 0.656580 -0.682981 2.863401 ESP Fit Center 7616 is at 1.061275 -0.791419 2.863401 ESP Fit Center 7617 is at 2.184399 0.426755 -2.776984 ESP Fit Center 7618 is at 1.870665 0.017971 -2.914102 ESP Fit Center 7619 is at 0.656580 -0.682981 -2.914102 ESP Fit Center 7620 is at 1.061275 -0.791419 -2.914102 ESP Fit Center 7621 is at 1.469775 0.017971 -2.997408 ESP Fit Center 7622 is at 1.265525 -0.335800 -2.997408 ESP Fit Center 7623 is at 0.089080 -0.973170 2.829495 ESP Fit Center 7624 is at 0.599964 -1.040479 -2.810891 ESP Fit Center 7625 is at 0.089080 -0.973170 -2.948009 ESP Fit Center 7626 is at 0.385338 -0.676913 -2.948009 ESP Fit Center 7627 is at -0.111365 -0.625989 -3.031315 ESP Fit Center 7628 is at -0.719664 -1.479675 2.898054 ESP Fit Center 7629 is at -0.311164 -1.479675 2.870111 ESP Fit Center 7630 is at -0.515414 -1.125903 2.870111 ESP Fit Center 7631 is at -0.923914 -1.125903 2.870111 ESP Fit Center 7632 is at -1.128164 -1.479675 2.870111 ESP Fit Center 7633 is at -0.923914 -1.833446 2.870111 ESP Fit Center 7634 is at -0.515414 -1.833446 2.870111 ESP Fit Center 7635 is at 0.089726 -1.479675 2.786805 ESP Fit Center 7636 is at -1.420616 -1.074979 2.786805 ESP Fit Center 7637 is at -1.124359 -2.180627 2.786805 ESP Fit Center 7638 is at -0.719664 -2.289065 2.786805 ESP Fit Center 7639 is at -0.314969 -2.180627 2.786805 ESP Fit Center 7640 is at -0.018711 -1.884370 2.786805 ESP Fit Center 7641 is at 0.475539 -1.479675 2.649687 ESP Fit Center 7642 is at -0.927209 -2.656720 2.649687 ESP Fit Center 7643 is at -0.512119 -2.656720 2.649687 ESP Fit Center 7644 is at -0.122062 -2.514751 2.649687 ESP Fit Center 7645 is at 0.195915 -2.247936 2.649687 ESP Fit Center 7646 is at 0.403460 -1.888458 2.649687 ESP Fit Center 7647 is at -0.826037 -3.034793 2.461312 ESP Fit Center 7648 is at -0.402526 -3.005824 2.461312 ESP Fit Center 7649 is at -0.002537 -2.863667 2.461312 ESP Fit Center 7650 is at 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is at -2.084202 -1.781411 -3.136157 ESP Fit Center 7723 is at -2.245297 -3.321622 2.592296 ESP Fit Center 7724 is at -2.866613 -3.674957 2.499173 ESP Fit Center 7725 is at -2.453956 -3.785529 2.499173 ESP Fit Center 7726 is at -2.041299 -3.674957 2.499173 ESP Fit Center 7727 is at -1.739213 -3.372871 2.499173 ESP Fit Center 7728 is at -3.061393 -4.012326 2.346282 ESP Fit Center 7729 is at -2.664917 -4.156632 2.346282 ESP Fit Center 7730 is at -2.242995 -4.156632 2.346282 ESP Fit Center 7731 is at -1.846519 -4.012326 2.346282 ESP Fit Center 7732 is at -1.523308 -3.741120 2.346282 ESP Fit Center 7733 is at -1.312347 -3.375726 2.346282 ESP Fit Center 7734 is at -3.242604 -4.326193 2.137038 ESP Fit Center 7735 is at -2.862190 -4.483765 2.137038 ESP Fit Center 7736 is at -2.453956 -4.537510 2.137038 ESP Fit Center 7737 is at -2.045722 -4.483765 2.137038 ESP Fit Center 7738 is at -1.665308 -4.326193 2.137038 ESP Fit Center 7739 is at -1.338639 -4.075531 2.137038 ESP Fit Center 7740 is at 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-4.951515 1.569341 ESP Fit Center 7759 is at -1.184137 -4.743425 1.569341 ESP Fit Center 7760 is at -0.869609 -4.470885 1.569341 ESP Fit Center 7761 is at -0.612344 -4.143746 1.569341 ESP Fit Center 7762 is at -4.462985 -4.318081 1.223569 ESP Fit Center 7763 is at -4.204606 -4.638077 1.223569 ESP Fit Center 7764 is at -3.895865 -4.909803 1.223569 ESP Fit Center 7765 is at -3.545642 -5.125444 1.223569 ESP Fit Center 7766 is at -3.164013 -5.278795 1.223569 ESP Fit Center 7767 is at -2.761958 -5.365445 1.223569 ESP Fit Center 7768 is at -2.351041 -5.382900 1.223569 ESP Fit Center 7769 is at -1.943086 -5.330660 1.223569 ESP Fit Center 7770 is at -1.549827 -5.210225 1.223569 ESP Fit Center 7771 is at -1.182578 -5.025062 1.223569 ESP Fit Center 7772 is at -0.851905 -4.780498 1.223569 ESP Fit Center 7773 is at -0.567319 -4.483567 1.223569 ESP Fit Center 7774 is at -4.776317 -4.143516 0.846524 ESP Fit Center 7775 is at -4.562615 -4.492245 0.846524 ESP Fit Center 7776 is at -4.296992 -4.803250 0.846524 ESP Fit Center 7777 is at -3.985987 -5.068874 0.846524 ESP Fit Center 7778 is at -3.637258 -5.282575 0.846524 ESP Fit Center 7779 is at -3.259392 -5.439092 0.846524 ESP Fit Center 7780 is at -2.861694 -5.534571 0.846524 ESP Fit Center 7781 is at -2.453956 -5.566661 0.846524 ESP Fit Center 7782 is at -2.046218 -5.534571 0.846524 ESP Fit Center 7783 is at -1.648520 -5.439092 0.846524 ESP Fit Center 7784 is at -1.270654 -5.282575 0.846524 ESP Fit Center 7785 is at -0.921925 -5.068874 0.846524 ESP Fit Center 7786 is at -0.610920 -4.803250 0.846524 ESP Fit Center 7787 is at -0.345296 -4.492245 0.846524 ESP Fit Center 7788 is at -4.800407 -4.355192 0.446628 ESP Fit Center 7789 is at -4.559966 -4.697027 0.446628 ESP Fit Center 7790 is at -4.270161 -4.998154 0.446628 ESP Fit Center 7791 is at -3.937786 -5.251512 0.446628 ESP Fit Center 7792 is at -3.570631 -5.451165 0.446628 ESP Fit Center 7793 is at -3.177302 -5.592431 0.446628 ESP Fit Center 7794 is at -2.767018 -5.672001 0.446628 ESP Fit Center 7795 is at -2.349397 -5.688009 0.446628 ESP Fit Center 7796 is at -1.934227 -5.640080 0.446628 ESP Fit Center 7797 is at -1.531238 -5.529336 0.446628 ESP Fit Center 7798 is at -1.149877 -5.358375 0.446628 ESP Fit Center 7799 is at -0.799083 -5.131203 0.446628 ESP Fit Center 7800 is at -0.487077 -4.853145 0.446628 ESP Fit Center 7801 is at -0.221174 -4.530718 0.446628 ESP Fit Center 7802 is at -4.760956 -4.533100 0.032814 ESP Fit Center 7803 is at -4.500762 -4.859372 0.032814 ESP Fit Center 7804 is at -4.194846 -5.143221 0.032814 ESP Fit Center 7805 is at -3.850041 -5.378305 0.032814 ESP Fit Center 7806 is at -3.474050 -5.559372 0.032814 ESP Fit Center 7807 is at -3.075272 -5.682379 0.032814 ESP Fit Center 7808 is at -2.662615 -5.744577 0.032814 ESP Fit Center 7809 is at -2.245297 -5.744577 0.032814 ESP Fit Center 7810 is at -1.832639 -5.682379 0.032814 ESP Fit Center 7811 is at -1.433861 -5.559372 0.032814 ESP Fit Center 7812 is at -1.057871 -5.378305 0.032814 ESP Fit Center 7813 is at -0.713066 -5.143221 0.032814 ESP Fit Center 7814 is at -0.407150 -4.859372 0.032814 ESP Fit Center 7815 is at -0.146956 -4.533100 0.032814 ESP Fit Center 7816 is at -4.760956 -4.533100 -0.385675 ESP Fit Center 7817 is at -4.500762 -4.859372 -0.385675 ESP Fit Center 7818 is at -4.194846 -5.143221 -0.385675 ESP Fit Center 7819 is at -3.850041 -5.378305 -0.385675 ESP Fit Center 7820 is at -3.474050 -5.559372 -0.385675 ESP Fit Center 7821 is at -3.075272 -5.682379 -0.385675 ESP Fit Center 7822 is at -2.662615 -5.744577 -0.385675 ESP Fit Center 7823 is at -2.245297 -5.744577 -0.385675 ESP Fit Center 7824 is at -1.832639 -5.682379 -0.385675 ESP Fit Center 7825 is at -1.433861 -5.559372 -0.385675 ESP Fit Center 7826 is at -1.057871 -5.378305 -0.385675 ESP Fit Center 7827 is at -0.713066 -5.143221 -0.385675 ESP Fit Center 7828 is at -0.407150 -4.859372 -0.385675 ESP Fit Center 7829 is at -0.146956 -4.533100 -0.385675 ESP Fit Center 7830 is at -4.559966 -4.697027 -0.799489 ESP Fit Center 7831 is at -4.270161 -4.998154 -0.799489 ESP Fit Center 7832 is at -3.937786 -5.251512 -0.799489 ESP Fit Center 7833 is at -3.570631 -5.451165 -0.799489 ESP Fit Center 7834 is at -3.177302 -5.592431 -0.799489 ESP Fit Center 7835 is at -2.767018 -5.672001 -0.799489 ESP Fit Center 7836 is at -2.349397 -5.688009 -0.799489 ESP Fit Center 7837 is at -1.934227 -5.640080 -0.799489 ESP Fit Center 7838 is at -1.531238 -5.529336 -0.799489 ESP Fit Center 7839 is at -1.149877 -5.358375 -0.799489 ESP Fit Center 7840 is at -0.799083 -5.131203 -0.799489 ESP Fit Center 7841 is at -0.487077 -4.853145 -0.799489 ESP Fit Center 7842 is at -0.221174 -4.530718 -0.799489 ESP Fit Center 7843 is at -4.562615 -4.492245 -1.199385 ESP Fit Center 7844 is at -4.296992 -4.803250 -1.199385 ESP Fit Center 7845 is at -3.985987 -5.068874 -1.199385 ESP Fit Center 7846 is at -3.637258 -5.282575 -1.199385 ESP Fit Center 7847 is at -3.259392 -5.439092 -1.199385 ESP Fit Center 7848 is at -2.861694 -5.534571 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Center 7920 is at -2.245297 -3.321622 -2.945157 ESP Fit Center 7921 is at -2.453956 -2.960214 -2.976431 ESP Fit Center 7922 is at -2.212998 -0.754470 2.766755 ESP Fit Center 7923 is at -2.212998 -0.754470 -3.010748 ESP Fit Center 7924 is at -2.321435 -0.349775 -3.010748 ESP Fit Center 7925 is at -3.022388 0.054920 -3.010748 ESP Fit Center 7926 is at -3.427083 -1.455423 -3.010748 ESP Fit Center 7927 is at -3.022388 -1.563861 -3.010748 ESP Fit Center 7928 is at -2.613888 -0.754470 -3.094054 ESP Fit Center 7929 is at -2.818138 -0.400699 -3.094054 ESP Fit Center 7930 is at -3.226638 -0.400699 -3.094054 ESP Fit Center 7931 is at -3.430888 -0.754470 -3.094054 ESP Fit Center 7932 is at -3.226638 -1.108242 -3.094054 ESP Fit Center 7933 is at -2.818138 -1.108242 -3.094054 ESP Fit Center 7934 is at -3.022388 -0.754470 -3.121997 ESP Fit Center 7935 is at -3.400768 0.564432 -2.964316 ESP Fit Center 7936 is at -5.108030 -4.041265 0.568925 ESP Fit Center 7937 is at -6.063941 -3.733568 0.189773 ESP 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1.282011 ESP Fit Center 8155 is at -8.097670 -2.544439 1.282011 ESP Fit Center 8156 is at -7.857715 -2.887129 1.282011 ESP Fit Center 8157 is at -7.561899 -3.182945 1.282011 ESP Fit Center 8158 is at -7.219209 -3.422900 1.282011 ESP Fit Center 8159 is at -6.840057 -3.599701 1.282011 ESP Fit Center 8160 is at -7.931351 0.044815 0.865255 ESP Fit Center 8161 is at -8.148683 -0.318938 0.865255 ESP Fit Center 8162 is at -8.297572 -0.715650 0.865255 ESP Fit Center 8163 is at -8.373232 -1.132573 0.865255 ESP Fit Center 8164 is at -8.373232 -1.556305 0.865255 ESP Fit Center 8165 is at -8.297572 -1.973227 0.865255 ESP Fit Center 8166 is at -8.148683 -2.369940 0.865255 ESP Fit Center 8167 is at -7.931351 -2.733692 0.865255 ESP Fit Center 8168 is at -7.652562 -3.052792 0.865255 ESP Fit Center 8169 is at -7.321275 -3.316985 0.865255 ESP Fit Center 8170 is at -6.948138 -3.517778 0.865255 ESP Fit Center 8171 is at -6.545145 -3.648718 0.865255 ESP Fit Center 8172 is at -8.183117 -0.709058 0.461163 ESP Fit Center 8173 is at -8.264259 -1.130062 0.461163 ESP Fit Center 8174 is at -8.264259 -1.558815 0.461163 ESP Fit Center 8175 is at -8.183117 -1.979819 0.461163 ESP Fit Center 8176 is at -8.023766 -2.377860 0.461163 ESP Fit Center 8177 is at -7.791964 -2.738549 0.461163 ESP Fit Center 8178 is at -7.496091 -3.048852 0.461163 ESP Fit Center 8179 is at -7.146840 -3.297553 0.461163 ESP Fit Center 8180 is at -6.756833 -3.475663 0.461163 ESP Fit Center 8181 is at -8.087006 -1.554713 0.082011 ESP Fit Center 8182 is at -8.002350 -1.966653 0.082011 ESP Fit Center 8183 is at -7.836504 -2.353120 0.082011 ESP Fit Center 8184 is at -7.596258 -2.698291 0.082011 ESP Fit Center 8185 is at -7.291447 -2.988035 0.082011 ESP Fit Center 8186 is at -6.934551 -3.210490 0.082011 ESP Fit Center 8187 is at -6.540180 -3.356549 0.082011 ESP Fit Center 8188 is at -7.746840 -1.973245 -0.260679 ESP Fit Center 8189 is at -7.555258 -2.354714 -0.260679 ESP Fit Center 8190 is at -7.280868 -2.681720 -0.260679 ESP Fit Center 8191 is at -6.938462 -2.936632 -0.260679 ESP Fit Center 8192 is at 1.974634 -0.963425 2.965221 ESP Fit Center 8193 is at 2.383134 -0.963425 2.937279 ESP Fit Center 8194 is at 2.178884 -0.609654 2.937279 ESP Fit Center 8195 is at 1.770384 -0.609654 2.937279 ESP Fit Center 8196 is at 1.566134 -0.963425 2.937279 ESP Fit Center 8197 is at 1.770384 -1.317197 2.937279 ESP Fit Center 8198 is at 2.178884 -1.317197 2.937279 ESP Fit Center 8199 is at 2.379329 -0.262473 2.853973 ESP Fit Center 8200 is at 1.974634 -0.154035 2.853973 ESP Fit Center 8201 is at 1.165244 -0.963425 2.853973 ESP Fit Center 8202 is at 1.273682 -1.368120 2.853973 ESP Fit Center 8203 is at 1.569939 -1.664378 2.853973 ESP Fit Center 8204 is at 1.974634 -1.772816 2.853973 ESP Fit Center 8205 is at 2.379329 -1.664378 2.853973 ESP Fit Center 8206 is at 2.675587 -1.368120 2.853973 ESP Fit Center 8207 is at 0.851511 -1.372209 2.716855 ESP Fit Center 8208 is at 1.059055 -1.731687 2.716855 ESP Fit Center 8209 is at 1.377033 -1.998502 2.716855 ESP Fit Center 8210 is at 2.182179 -2.140471 2.716855 ESP Fit Center 8211 is at 2.572236 -1.998502 2.716855 ESP Fit Center 8212 is at 2.691761 -2.347418 2.528479 ESP Fit Center 8213 is at 2.572236 0.071651 -2.786413 ESP Fit Center 8214 is at 0.851511 -1.372209 -2.786413 ESP Fit Center 8215 is at 2.572236 -1.998502 -2.786413 ESP Fit Center 8216 is at 2.890213 -1.731687 -2.786413 ESP Fit Center 8217 is at 2.784025 -0.963425 -2.923531 ESP Fit Center 8218 is at 2.675587 -0.558730 -2.923531 ESP Fit Center 8219 is at 2.379329 -0.262473 -2.923531 ESP Fit Center 8220 is at 1.974634 -0.154035 -2.923531 ESP Fit Center 8221 is at 1.165244 -0.963425 -2.923531 ESP Fit Center 8222 is at 1.273682 -1.368120 -2.923531 ESP Fit Center 8223 is at 1.569939 -1.664378 -2.923531 ESP Fit Center 8224 is at 1.974634 -1.772816 -2.923531 ESP Fit Center 8225 is at 2.379329 -1.664378 -2.923531 ESP Fit Center 8226 is at 2.675587 -1.368120 -2.923531 ESP Fit Center 8227 is at 2.383134 -0.963425 -3.006837 ESP Fit Center 8228 is at 2.178884 -0.609654 -3.006837 ESP Fit Center 8229 is at 1.770384 -0.609654 -3.006837 ESP Fit Center 8230 is at 1.566134 -0.963425 -3.006837 ESP Fit Center 8231 is at 1.770384 -1.317197 -3.006837 ESP Fit Center 8232 is at 2.178884 -1.317197 -3.006837 ESP Fit Center 8233 is at 1.974634 -0.963425 -3.034779 ESP Fit Center 8234 is at -5.112901 2.365061 1.136470 ESP Fit Center 8235 is at -5.300162 2.389801 0.757318 ESP Fit Center 8236 is at -0.646471 2.788842 4.624743 ESP Fit Center 8237 is at -0.234130 2.788842 4.606224 ESP Fit Center 8238 is at -0.440301 3.145939 4.606224 ESP Fit Center 8239 is at -0.852641 3.145939 4.606224 ESP Fit Center 8240 is at -1.058812 2.788842 4.606224 ESP Fit Center 8241 is at -0.852641 2.431744 4.606224 ESP Fit Center 8242 is at -0.440301 2.431744 4.606224 ESP Fit Center 8243 is at 0.174891 2.788842 4.550819 ESP Fit Center 8244 is at 0.064849 3.199522 4.550819 ESP Fit Center 8245 is at -0.235790 3.500162 4.550819 ESP Fit Center 8246 is at -0.646471 3.610203 4.550819 ESP Fit Center 8247 is at -1.057152 3.500162 4.550819 ESP Fit Center 8248 is at -1.357791 3.199522 4.550819 ESP Fit Center 8249 is at -1.467833 2.788842 4.550819 ESP Fit Center 8250 is at -1.357791 2.378161 4.550819 ESP Fit Center 8251 is at -1.057152 2.077521 4.550819 ESP Fit Center 8252 is at -0.646471 1.967480 4.550819 ESP Fit Center 8253 is at -0.235790 2.077521 4.550819 ESP Fit Center 8254 is at 0.064849 2.378161 4.550819 ESP Fit Center 8255 is at 0.577299 2.788842 4.458972 ESP Fit Center 8256 is at 0.503496 3.207395 4.458972 ESP Fit Center 8257 is at 0.290991 3.575465 4.458972 ESP Fit Center 8258 is at -0.034586 3.848657 4.458972 ESP Fit Center 8259 is at -0.433966 3.994019 4.458972 ESP Fit Center 8260 is at -0.858976 3.994019 4.458972 ESP Fit Center 8261 is at -1.258356 3.848657 4.458972 ESP Fit Center 8262 is at -1.583933 3.575465 4.458972 ESP Fit Center 8263 is at -1.796438 3.207395 4.458972 ESP Fit Center 8264 is at -1.870240 2.788842 4.458972 ESP Fit Center 8265 is at -1.796438 2.370288 4.458972 ESP Fit Center 8266 is at -1.583933 2.002218 4.458972 ESP Fit Center 8267 is at -1.258356 1.729026 4.458972 ESP Fit Center 8268 is at -0.858976 1.583664 4.458972 ESP Fit Center 8269 is at -0.433966 1.583664 4.458972 ESP Fit Center 8270 is at -0.034586 1.729026 4.458972 ESP Fit Center 8271 is at 0.290991 2.002218 4.458972 ESP Fit Center 8272 is at 0.503496 2.370288 4.458972 ESP Fit Center 8273 is at 0.969853 2.788842 4.331423 ESP Fit Center 8274 is at 0.914778 3.207177 4.331423 ESP Fit Center 8275 is at 0.753307 3.597004 4.331423 ESP Fit Center 8276 is at 0.496443 3.931755 4.331423 ESP Fit Center 8277 is at 0.161691 4.188619 4.331423 ESP Fit Center 8278 is at -0.228135 4.350091 4.331423 ESP Fit Center 8279 is at -0.646471 4.405166 4.331423 ESP Fit Center 8280 is at -1.064806 4.350091 4.331423 ESP Fit Center 8281 is at -1.454633 4.188619 4.331423 ESP Fit Center 8282 is at -1.789385 3.931755 4.331423 ESP Fit Center 8283 is at -2.046249 3.597004 4.331423 ESP Fit Center 8284 is at -2.207720 3.207177 4.331423 ESP Fit Center 8285 is at -2.262795 2.788842 4.331423 ESP Fit Center 8286 is at -2.207720 2.370506 4.331423 ESP Fit Center 8287 is at -2.046249 1.980679 4.331423 ESP Fit Center 8288 is at -1.789385 1.645928 4.331423 ESP Fit Center 8289 is at -1.454633 1.389064 4.331423 ESP Fit Center 8290 is at -1.064806 1.227592 4.331423 ESP Fit Center 8291 is at -0.646471 1.172517 4.331423 ESP Fit Center 8292 is at -0.228135 1.227592 4.331423 ESP Fit Center 8293 is at 0.161691 1.389064 4.331423 ESP Fit Center 8294 is at 0.496443 1.645928 4.331423 ESP Fit Center 8295 is at 0.753307 1.980679 4.331423 ESP Fit Center 8296 is at 0.914778 2.370506 4.331423 ESP Fit Center 8297 is at 1.349394 2.788842 4.169199 ESP Fit Center 8298 is at 1.305780 3.203805 4.169199 ESP Fit Center 8299 is at 1.176843 3.600633 4.169199 ESP Fit Center 8300 is at 0.968218 3.961982 4.169199 ESP Fit Center 8301 is at 0.689024 4.272058 4.169199 ESP Fit Center 8302 is at 0.351462 4.517312 4.169199 ESP Fit Center 8303 is at -0.029715 4.687022 4.169199 ESP Fit Center 8304 is at -0.437846 4.773773 4.169199 ESP Fit Center 8305 is at -0.855096 4.773773 4.169199 ESP Fit Center 8306 is at -1.263227 4.687022 4.169199 ESP Fit Center 8307 is at -1.644404 4.517312 4.169199 ESP Fit Center 8308 is at -1.981965 4.272058 4.169199 ESP Fit Center 8309 is at -2.261160 3.961982 4.169199 ESP Fit Center 8310 is at -2.469785 3.600633 4.169199 ESP Fit Center 8311 is at -2.598722 3.203805 4.169199 ESP Fit Center 8312 is at -2.642336 2.788842 4.169199 ESP Fit Center 8313 is at -2.598722 2.373878 4.169199 ESP Fit Center 8314 is at -2.469785 1.977050 4.169199 ESP Fit Center 8315 is at -2.261160 1.615701 4.169199 ESP Fit Center 8316 is at -1.981965 1.305625 4.169199 ESP Fit Center 8317 is at -1.644404 1.060372 4.169199 ESP Fit Center 8318 is at -1.263227 0.890661 4.169199 ESP Fit Center 8319 is at -0.855096 0.803910 4.169199 ESP Fit Center 8320 is at -0.437846 0.803910 4.169199 ESP Fit Center 8321 is at -0.029715 0.890661 4.169199 ESP Fit Center 8322 is at 0.351462 1.060372 4.169199 ESP Fit Center 8323 is at 0.689024 1.305625 4.169199 ESP Fit Center 8324 is at 0.968218 1.615701 4.169199 ESP Fit Center 8325 is at 1.176843 1.977050 4.169199 ESP Fit Center 8326 is at 1.305780 2.373878 4.169199 ESP Fit Center 8327 is at 1.712866 2.788842 3.973607 ESP Fit Center 8328 is at 1.674950 3.210117 3.973607 ESP Fit Center 8329 is at 1.562422 3.617853 3.973607 ESP Fit Center 8330 is at 1.378899 3.998944 3.973607 ESP Fit Center 8331 is at 1.130278 4.341141 3.973607 ESP Fit Center 8332 is at 0.824551 4.633445 3.973607 ESP Fit Center 8333 is at 0.471545 4.866463 3.973607 ESP Fit Center 8334 is at 0.082604 5.032704 3.973607 ESP Fit Center 8335 is at -0.329769 5.126826 3.973607 ESP Fit Center 8336 is at -0.752322 5.145803 3.973607 ESP Fit Center 8337 is at -1.171473 5.089025 3.973607 ESP Fit Center 8338 is at -1.573749 4.958317 3.973607 ESP Fit Center 8339 is at -1.946222 4.757881 3.973607 ESP Fit Center 8340 is at -2.276920 4.494158 3.973607 ESP Fit Center 8341 is at -2.555214 4.175625 3.973607 ESP Fit Center 8342 is at -2.772160 3.812519 3.973607 ESP Fit Center 8343 is at -2.920784 3.416512 3.973607 ESP Fit Center 8344 is at -2.996310 3.000331 3.973607 ESP Fit Center 8345 is at -2.996310 2.577352 3.973607 ESP Fit Center 8346 is at -2.920784 2.161171 3.973607 ESP Fit Center 8347 is at -2.772160 1.765164 3.973607 ESP Fit Center 8348 is at -2.555214 1.402058 3.973607 ESP Fit Center 8349 is at -2.276920 1.083525 3.973607 ESP Fit Center 8350 is at -1.946222 0.819802 3.973607 ESP Fit Center 8351 is at -1.573749 0.619366 3.973607 ESP Fit Center 8352 is at -1.171473 0.488658 3.973607 ESP Fit Center 8353 is at -0.752322 0.431881 3.973607 ESP Fit Center 8354 is at -0.329769 0.450857 3.973607 ESP Fit Center 8355 is at 0.082604 0.544979 3.973607 ESP Fit Center 8356 is at 0.471545 0.711220 3.973607 ESP Fit Center 8357 is at 0.824551 0.944238 3.973607 ESP Fit Center 8358 is at 1.130278 1.236543 3.973607 ESP Fit Center 8359 is at 1.378899 1.578739 3.973607 ESP Fit Center 8360 is at 1.562422 1.959830 3.973607 ESP Fit Center 8361 is at 1.674950 2.367566 3.973607 ESP Fit Center 8362 is at 2.057341 2.788842 3.746221 ESP Fit Center 8363 is at 2.025654 3.201577 3.746221 ESP Fit Center 8364 is at 1.931334 3.604637 3.746221 ESP Fit Center 8365 is at 1.776592 3.988577 3.746221 ESP Fit Center 8366 is at 1.565056 4.344395 3.746221 ESP Fit Center 8367 is at 1.301684 4.663753 3.746221 ESP Fit Center 8368 is at 0.992649 4.939164 3.746221 ESP Fit Center 8369 is at 0.645194 5.164174 3.746221 ESP Fit Center 8370 is at 0.267463 5.333507 3.746221 ESP Fit Center 8371 is at -0.131689 5.443196 3.746221 ESP Fit Center 8372 is at -0.542908 5.490670 3.746221 ESP Fit Center 8373 is at -0.956553 5.474814 3.746221 ESP Fit Center 8374 is at -1.362931 5.396002 3.746221 ESP Fit Center 8375 is at -1.752516 5.256080 3.746221 ESP Fit Center 8376 is at -2.116175 5.058328 3.746221 ESP Fit Center 8377 is at -2.445387 4.807381 3.746221 ESP Fit Center 8378 is at -2.732433 4.509122 3.746221 ESP Fit Center 8379 is at -2.970586 4.170540 3.746221 ESP Fit Center 8380 is at -3.154263 3.799573 3.746221 ESP Fit Center 8381 is at -3.279160 3.404915 3.746221 ESP Fit Center 8382 is at -3.342350 2.995816 3.746221 ESP Fit Center 8383 is at -3.342350 2.581867 3.746221 ESP Fit Center 8384 is at -3.279160 2.172768 3.746221 ESP Fit Center 8385 is at -3.154263 1.778110 3.746221 ESP Fit Center 8386 is at -2.970586 1.407143 3.746221 ESP Fit Center 8387 is at -2.732433 1.068562 3.746221 ESP Fit Center 8388 is at -2.445387 0.770302 3.746221 ESP Fit Center 8389 is at -2.116175 0.519355 3.746221 ESP Fit Center 8390 is at -1.752516 0.321603 3.746221 ESP Fit Center 8391 is at -1.362931 0.181681 3.746221 ESP Fit Center 8392 is at -0.956553 0.102869 3.746221 ESP Fit Center 8393 is at -0.542908 0.087014 3.746221 ESP Fit Center 8394 is at -0.131689 0.134487 3.746221 ESP Fit Center 8395 is at 0.267463 0.244176 3.746221 ESP Fit Center 8396 is at 0.645194 0.413509 3.746221 ESP Fit Center 8397 is at 0.992649 0.638519 3.746221 ESP Fit Center 8398 is at 1.301684 0.913930 3.746221 ESP Fit Center 8399 is at 1.565056 1.233288 3.746221 ESP Fit Center 8400 is at 1.776592 1.589106 3.746221 ESP Fit Center 8401 is at 1.931334 1.973046 3.746221 ESP Fit Center 8402 is at 2.025654 2.376107 3.746221 ESP Fit Center 8403 is at 2.380047 2.788842 3.488871 ESP Fit Center 8404 is at 2.351858 3.200952 3.488871 ESP Fit Center 8405 is at 2.267816 3.605386 3.488871 ESP Fit Center 8406 is at 2.129486 3.994610 3.488871 ESP Fit Center 8407 is at 1.939445 4.361372 3.488871 ESP Fit Center 8408 is at 1.701233 4.698841 3.488871 ESP Fit Center 8409 is at 1.419289 5.000730 3.488871 ESP Fit Center 8410 is at 1.098863 5.261416 3.488871 ESP Fit Center 8411 is at 0.745924 5.476042 3.488871 ESP Fit Center 8412 is at 0.367048 5.640611 3.488871 ESP Fit Center 8413 is at -0.030708 5.752057 3.488871 ESP Fit Center 8414 is at -0.439934 5.808304 3.488871 ESP Fit Center 8415 is at -0.853008 5.808304 3.488871 ESP Fit Center 8416 is at -1.262234 5.752057 3.488871 ESP Fit Center 8417 is at -1.659990 5.640611 3.488871 ESP Fit Center 8418 is at -2.038866 5.476042 3.488871 ESP Fit Center 8419 is at -2.391804 5.261416 3.488871 ESP Fit Center 8420 is at -2.712230 5.000730 3.488871 ESP Fit Center 8421 is at -2.994175 4.698841 3.488871 ESP Fit Center 8422 is at -3.232387 4.361372 3.488871 ESP Fit Center 8423 is at -3.422428 3.994610 3.488871 ESP Fit Center 8424 is at -3.560758 3.605386 3.488871 ESP Fit Center 8425 is at -3.644800 3.200952 3.488871 ESP Fit Center 8426 is at -3.672989 2.788842 3.488871 ESP Fit Center 8427 is at -3.644800 2.376731 3.488871 ESP Fit Center 8428 is at -3.560758 1.972297 3.488871 ESP Fit Center 8429 is at -3.422428 1.583073 3.488871 ESP Fit Center 8430 is at -3.232387 1.216311 3.488871 ESP Fit Center 8431 is at -2.994175 0.878842 3.488871 ESP Fit Center 8432 is at -2.712230 0.576953 3.488871 ESP Fit Center 8433 is at -2.391804 0.316267 3.488871 ESP Fit Center 8434 is at -2.038866 0.101641 3.488871 ESP Fit Center 8435 is at -1.659990 -0.062928 3.488871 ESP Fit Center 8436 is at -1.262234 -0.174374 3.488871 ESP Fit Center 8437 is at -0.853008 -0.230621 3.488871 ESP Fit Center 8438 is at -0.439934 -0.230621 3.488871 ESP Fit Center 8439 is at -0.030708 -0.174374 3.488871 ESP Fit Center 8440 is at 0.367048 -0.062928 3.488871 ESP Fit Center 8441 is at 0.745924 0.101641 3.488871 ESP Fit Center 8442 is at 1.098863 0.316267 3.488871 ESP Fit Center 8443 is at 1.419289 0.576953 3.488871 ESP Fit Center 8444 is at 1.701233 0.878842 3.488871 ESP Fit Center 8445 is at 1.939445 1.216311 3.488871 ESP Fit Center 8446 is at 2.129486 1.583073 3.488871 ESP Fit Center 8447 is at 2.267816 1.972297 3.488871 ESP Fit Center 8448 is at 2.351858 2.376731 3.488871 ESP Fit Center 8449 is at 2.678385 2.788842 3.203631 ESP Fit Center 8450 is at 2.652168 3.205557 3.203631 ESP Fit Center 8451 is at 2.573929 3.615700 3.203631 ESP Fit Center 8452 is at 2.444902 4.012803 3.203631 ESP Fit Center 8453 is at 2.267123 4.390603 3.203631 ESP Fit Center 8454 is at 2.043394 4.743143 3.203631 ESP Fit Center 8455 is at 1.777245 5.064862 3.203631 ESP Fit Center 8456 is at 1.472872 5.350687 3.203631 ESP Fit Center 8457 is at 1.135076 5.596111 3.203631 ESP Fit Center 8458 is at 0.769184 5.797262 3.203631 ESP Fit Center 8459 is at 0.380966 5.950968 3.203631 ESP Fit Center 8460 is at -0.023455 6.054806 3.203631 ESP Fit Center 8461 is at -0.437701 6.107137 3.203631 ESP Fit Center 8462 is at -0.855240 6.107137 3.203631 ESP Fit Center 8463 is at -1.269487 6.054806 3.203631 ESP Fit Center 8464 is at -1.673908 5.950968 3.203631 ESP Fit Center 8465 is at -2.062126 5.797262 3.203631 ESP Fit Center 8466 is at -2.428018 5.596111 3.203631 ESP Fit Center 8467 is at -2.765814 5.350687 3.203631 ESP Fit Center 8468 is at -3.070187 5.064862 3.203631 ESP Fit Center 8469 is at -3.336336 4.743143 3.203631 ESP Fit Center 8470 is at -3.560065 4.390603 3.203631 ESP Fit Center 8471 is at -3.737844 4.012803 3.203631 ESP Fit Center 8472 is at -3.866871 3.615700 3.203631 ESP Fit Center 8473 is at -3.945110 3.205557 3.203631 ESP Fit Center 8474 is at -3.971327 2.788842 3.203631 ESP Fit Center 8475 is at -3.945110 2.372127 3.203631 ESP Fit Center 8476 is at -3.866871 1.961983 3.203631 ESP Fit Center 8477 is at -3.737844 1.564880 3.203631 ESP Fit Center 8478 is at -2.765814 0.226996 3.203631 ESP Fit Center 8479 is at -2.428018 -0.018428 3.203631 ESP Fit Center 8480 is at -2.062126 -0.219578 3.203631 ESP Fit Center 8481 is at -1.673908 -0.373285 3.203631 ESP Fit Center 8482 is at -1.269487 -0.477122 3.203631 ESP Fit Center 8483 is at -0.855240 -0.529454 3.203631 ESP Fit Center 8484 is at -0.437701 -0.529454 3.203631 ESP Fit Center 8485 is at -0.023455 -0.477122 3.203631 ESP Fit Center 8486 is at 0.380966 -0.373285 3.203631 ESP Fit Center 8487 is at 0.769184 -0.219578 3.203631 ESP Fit Center 8488 is at 1.135076 -0.018428 3.203631 ESP Fit Center 8489 is at 1.472872 0.226996 3.203631 ESP Fit Center 8490 is at 1.777245 0.512821 3.203631 ESP Fit Center 8491 is at 2.043394 0.834540 3.203631 ESP Fit Center 8492 is at 2.267123 1.187080 3.203631 ESP Fit Center 8493 is at 2.444902 1.564880 3.203631 ESP Fit Center 8494 is at 2.573929 1.961983 3.203631 ESP Fit Center 8495 is at 2.652168 2.372127 3.203631 ESP Fit Center 8496 is at 2.949954 2.788842 2.892796 ESP Fit Center 8497 is at 2.925636 3.206361 2.892796 ESP Fit Center 8498 is at 2.853012 3.618234 2.892796 ESP Fit Center 8499 is at 2.733063 4.018891 2.892796 ESP Fit Center 8500 is at 2.567412 4.402914 2.892796 ESP Fit Center 8501 is at 2.358298 4.765109 2.892796 ESP Fit Center 8502 is at 2.108550 5.100579 2.892796 ESP Fit Center 8503 is at 1.821546 5.404786 2.892796 ESP Fit Center 8504 is at 1.501165 5.673617 2.892796 ESP Fit Center 8505 is at 1.151741 5.903437 2.892796 ESP Fit Center 8506 is at 0.778000 6.091137 2.892796 ESP Fit Center 8507 is at 0.384995 6.234179 2.892796 ESP Fit Center 8508 is at -0.021958 6.330629 2.892796 ESP Fit Center 8509 is at -0.437357 6.379182 2.892796 ESP Fit Center 8510 is at -0.855584 6.379182 2.892796 ESP Fit Center 8511 is at -1.270984 6.330629 2.892796 ESP Fit Center 8512 is at -1.677937 6.234179 2.892796 ESP Fit Center 8513 is at -2.070942 6.091137 2.892796 ESP Fit Center 8514 is at -2.444683 5.903437 2.892796 ESP Fit Center 8515 is at -2.794107 5.673617 2.892796 ESP Fit Center 8516 is at -3.114487 5.404786 2.892796 ESP Fit Center 8517 is at -3.401492 5.100579 2.892796 ESP Fit Center 8518 is at -3.651240 4.765109 2.892796 ESP Fit Center 8519 is at -3.860354 4.402914 2.892796 ESP Fit Center 8520 is at -4.026005 4.018891 2.892796 ESP Fit Center 8521 is at -4.145954 3.618234 2.892796 ESP Fit Center 8522 is at -4.218578 3.206361 2.892796 ESP Fit Center 8523 is at -4.242896 2.788842 2.892796 ESP Fit Center 8524 is at -4.218578 2.371322 2.892796 ESP Fit Center 8525 is at -4.145954 1.959449 2.892796 ESP Fit Center 8526 is at -2.444683 -0.325754 2.892796 ESP Fit Center 8527 is at -2.070942 -0.513454 2.892796 ESP Fit Center 8528 is at -1.677937 -0.656496 2.892796 ESP Fit Center 8529 is at -1.270984 -0.752945 2.892796 ESP Fit Center 8530 is at -0.855584 -0.801499 2.892796 ESP Fit Center 8531 is at -0.437357 -0.801499 2.892796 ESP Fit Center 8532 is at -0.021958 -0.752945 2.892796 ESP Fit Center 8533 is at 0.384995 -0.656496 2.892796 ESP Fit Center 8534 is at 1.821546 0.172897 2.892796 ESP Fit Center 8535 is at 2.108550 0.477104 2.892796 ESP Fit Center 8536 is at 2.358298 0.812574 2.892796 ESP Fit Center 8537 is at 2.567412 1.174769 2.892796 ESP Fit Center 8538 is at 2.733063 1.558792 2.892796 ESP Fit Center 8539 is at 2.853012 1.959449 2.892796 ESP Fit Center 8540 is at 2.925636 2.371322 2.892796 ESP Fit Center 8541 is at 3.192566 2.788842 2.558869 ESP Fit Center 8542 is at 3.170061 3.203914 2.558869 ESP Fit Center 8543 is at 3.102811 3.614121 2.558869 ESP Fit Center 8544 is at 2.991605 4.014652 2.558869 ESP Fit Center 8545 is at 2.837745 4.400811 2.558869 ESP Fit Center 8546 is at 2.643035 4.768072 2.558869 ESP Fit Center 8547 is at 2.409760 5.112128 2.558869 ESP Fit Center 8548 is at 2.140653 5.428945 2.558869 ESP Fit Center 8549 is at 1.838869 5.714810 2.558869 ESP Fit Center 8550 is at 1.507947 5.966370 2.558869 ESP Fit Center 8551 is at 1.151766 6.180677 2.558869 ESP Fit Center 8552 is at 0.774503 6.355218 2.558869 ESP Fit Center 8553 is at 0.380580 6.487946 2.558869 ESP Fit Center 8554 is at -0.025384 6.577305 2.558869 ESP Fit Center 8555 is at -0.438630 6.622248 2.558869 ESP Fit Center 8556 is at -0.854312 6.622248 2.558869 ESP Fit Center 8557 is at -1.267558 6.577305 2.558869 ESP Fit Center 8558 is at -1.673522 6.487946 2.558869 ESP Fit Center 8559 is at -2.067445 6.355218 2.558869 ESP Fit Center 8560 is at -2.444708 6.180677 2.558869 ESP Fit Center 8561 is at -2.800889 5.966370 2.558869 ESP Fit Center 8562 is at -3.131811 5.714810 2.558869 ESP Fit Center 8563 is at -3.433594 5.428945 2.558869 ESP Fit Center 8564 is at -3.702702 5.112128 2.558869 ESP Fit Center 8565 is at -3.935977 4.768072 2.558869 ESP Fit Center 8566 is at -4.130687 4.400811 2.558869 ESP Fit Center 8567 is at -4.284546 4.014652 2.558869 ESP Fit Center 8568 is at -4.395753 3.614121 2.558869 ESP Fit Center 8569 is at -4.463003 3.203914 2.558869 ESP Fit Center 8570 is at -4.485508 2.788842 2.558869 ESP Fit Center 8571 is at -4.463003 2.373769 2.558869 ESP Fit Center 8572 is at 3.170061 2.373769 2.558869 ESP Fit Center 8573 is at 3.404269 2.788842 2.204538 ESP Fit Center 8574 is at 3.382799 3.205343 2.204538 ESP Fit Center 8575 is at 3.318618 3.617429 2.204538 ESP Fit Center 8576 is at 3.212407 4.020732 2.204538 ESP Fit Center 8577 is at 3.065290 4.410976 2.204538 ESP Fit Center 8578 is at 2.878828 4.784025 2.204538 ESP Fit Center 8579 is at 2.654996 5.135925 2.204538 ESP Fit Center 8580 is at 2.396169 5.462946 2.204538 ESP Fit Center 8581 is at 2.105088 5.761620 2.204538 ESP Fit Center 8582 is at 1.784841 6.028782 2.204538 ESP Fit Center 8583 is at 1.438821 6.261600 2.204538 ESP Fit Center 8584 is at 1.070696 6.457605 2.204538 ESP Fit Center 8585 is at 0.684369 6.614721 2.204538 ESP Fit Center 8586 is at 0.283934 6.731282 2.204538 ESP Fit Center 8587 is at -0.126363 6.806052 2.204538 ESP Fit Center 8588 is at -0.542173 6.838238 2.204538 ESP Fit Center 8589 is at -0.959089 6.827500 2.204538 ESP Fit Center 8590 is at -1.372691 6.773951 2.204538 ESP Fit Center 8591 is at -1.778594 6.678159 2.204538 ESP Fit Center 8592 is at -2.172497 6.541139 2.204538 ESP Fit Center 8593 is at -2.550224 6.364343 2.204538 ESP Fit Center 8594 is at -2.907771 6.149647 2.204538 ESP Fit Center 8595 is at -3.241347 5.899325 2.204538 ESP Fit Center 8596 is at -3.547417 5.616031 2.204538 ESP Fit Center 8597 is at -3.822736 5.302769 2.204538 ESP Fit Center 8598 is at -4.064386 4.962858 2.204538 ESP Fit Center 8599 is at -4.269805 4.599902 2.204538 ESP Fit Center 8600 is at -4.436816 4.217748 2.204538 ESP Fit Center 8601 is at -4.563648 3.820448 2.204538 ESP Fit Center 8602 is at -4.648958 3.412212 2.204538 ESP Fit Center 8603 is at -4.691839 2.997369 2.204538 ESP Fit Center 8604 is at -4.691839 2.580315 2.204538 ESP Fit Center 8605 is at 3.562989 3.203437 1.832658 ESP Fit Center 8606 is at 3.502082 3.614040 1.832658 ESP Fit Center 8607 is at 3.401222 4.016696 1.832658 ESP Fit Center 8608 is at 3.261380 4.407527 1.832658 ESP Fit Center 8609 is at 3.083904 4.782769 1.832658 ESP Fit Center 8610 is at 2.870502 5.138808 1.832658 ESP Fit Center 8611 is at 2.623230 5.472216 1.832658 ESP Fit Center 8612 is at 2.344469 5.779781 1.832658 ESP Fit Center 8613 is at 2.036903 6.058543 1.832658 ESP Fit Center 8614 is at 1.703495 6.305815 1.832658 ESP Fit Center 8615 is at 1.347456 6.519217 1.832658 ESP Fit Center 8616 is at 0.972214 6.696693 1.832658 ESP Fit Center 8617 is at 0.581383 6.836534 1.832658 ESP Fit Center 8618 is at 0.178728 6.937394 1.832658 ESP Fit Center 8619 is at -0.231875 6.998302 1.832658 ESP Fit Center 8620 is at -0.646471 7.018669 1.832658 ESP Fit Center 8621 is at -1.061067 6.998302 1.832658 ESP Fit Center 8622 is at -1.471669 6.937394 1.832658 ESP Fit Center 8623 is at -1.874325 6.836534 1.832658 ESP Fit Center 8624 is at -2.265156 6.696693 1.832658 ESP Fit Center 8625 is at -2.640398 6.519217 1.832658 ESP Fit Center 8626 is at -2.996437 6.305815 1.832658 ESP Fit Center 8627 is at -3.329845 6.058543 1.832658 ESP Fit Center 8628 is at -3.637411 5.779781 1.832658 ESP Fit Center 8629 is at -3.916172 5.472216 1.832658 ESP Fit Center 8630 is at -4.163444 5.138808 1.832658 ESP Fit Center 8631 is at -4.376846 4.782769 1.832658 ESP Fit Center 8632 is at -4.554322 4.407527 1.832658 ESP Fit Center 8633 is at -4.694164 4.016696 1.832658 ESP Fit Center 8634 is at -4.795024 3.614040 1.832658 ESP Fit Center 8635 is at -4.855931 3.203437 1.832658 ESP Fit Center 8636 is at -4.876299 2.788842 1.832658 ESP Fit Center 8637 is at -4.855931 2.374246 1.832658 ESP Fit Center 8638 is at 3.649330 3.616789 1.446221 ESP Fit Center 8639 is at 3.551176 4.021382 1.446221 ESP Fit Center 8640 is at 3.415009 4.414813 1.446221 ESP Fit Center 8641 is at 3.242060 4.793518 1.446221 ESP Fit Center 8642 is at 3.033895 5.154069 1.446221 ESP Fit Center 8643 is at 2.792401 5.493201 1.446221 ESP Fit Center 8644 is at 2.519764 5.807841 1.446221 ESP Fit Center 8645 is at 2.218453 6.095140 1.446221 ESP Fit Center 8646 is at 1.891197 6.352497 1.446221 ESP Fit Center 8647 is at 1.540959 6.577581 1.446221 ESP Fit Center 8648 is at 1.170912 6.768354 1.446221 ESP Fit Center 8649 is at 0.784406 6.923088 1.446221 ESP Fit Center 8650 is at 0.384941 7.040381 1.446221 ESP Fit Center 8651 is at -0.023863 7.119172 1.446221 ESP Fit Center 8652 is at -0.438307 7.158746 1.446221 ESP Fit Center 8653 is at -0.854635 7.158746 1.446221 ESP Fit Center 8654 is at -1.269078 7.119172 1.446221 ESP Fit Center 8655 is at -1.677883 7.040381 1.446221 ESP Fit Center 8656 is at -2.077347 6.923088 1.446221 ESP Fit Center 8657 is at -2.463853 6.768354 1.446221 ESP Fit Center 8658 is at -2.833901 6.577581 1.446221 ESP Fit Center 8659 is at -3.184139 6.352497 1.446221 ESP Fit Center 8660 is at -3.511395 6.095140 1.446221 ESP Fit Center 8661 is at -3.812706 5.807841 1.446221 ESP Fit Center 8662 is at -4.085343 5.493201 1.446221 ESP Fit Center 8663 is at -4.326837 5.154069 1.446221 ESP Fit Center 8664 is at -4.535002 4.793518 1.446221 ESP Fit Center 8665 is at -4.707951 4.414813 1.446221 ESP Fit Center 8666 is at -4.844118 4.021382 1.446221 ESP Fit Center 8667 is at -4.942271 3.616789 1.446221 ESP Fit Center 8668 is at -5.001521 3.204698 1.446221 ESP Fit Center 8669 is at -5.021331 2.788842 1.446221 ESP Fit Center 8670 is at -5.001521 2.372985 1.446221 ESP Fit Center 8671 is at 3.666998 4.016129 1.048339 ESP Fit Center 8672 is at 3.535358 4.408891 1.048339 ESP Fit Center 8673 is at 3.368040 4.787830 1.048339 ESP Fit Center 8674 is at 3.166471 5.149715 1.048339 ESP Fit Center 8675 is at 2.932372 5.491458 1.048339 ESP Fit Center 8676 is at 2.667739 5.810143 1.048339 ESP Fit Center 8677 is at 2.374831 6.103052 1.048339 ESP Fit Center 8678 is at 2.056146 6.367684 1.048339 ESP Fit Center 8679 is at 1.714403 6.601783 1.048339 ESP Fit Center 8680 is at 1.352518 6.803352 1.048339 ESP Fit Center 8681 is at 0.973578 6.970670 1.048339 ESP Fit Center 8682 is at 0.580817 7.102311 1.048339 ESP Fit Center 8683 is at 0.177585 7.197150 1.048339 ESP Fit Center 8684 is at -0.232678 7.254379 1.048339 ESP Fit Center 8685 is at -0.646471 7.273510 1.048339 ESP Fit Center 8686 is at -1.060264 7.254379 1.048339 ESP Fit Center 8687 is at -1.470527 7.197150 1.048339 ESP Fit Center 8688 is at -1.873759 7.102311 1.048339 ESP Fit Center 8689 is at -2.266520 6.970670 1.048339 ESP Fit Center 8690 is at -2.645460 6.803352 1.048339 ESP Fit Center 8691 is at -3.007345 6.601783 1.048339 ESP Fit Center 8692 is at -3.349087 6.367684 1.048339 ESP Fit Center 8693 is at -3.667773 6.103052 1.048339 ESP Fit Center 8694 is at -3.960681 5.810143 1.048339 ESP Fit Center 8695 is at -4.225314 5.491458 1.048339 ESP Fit Center 8696 is at -4.459413 5.149715 1.048339 ESP Fit Center 8697 is at -4.660981 4.787830 1.048339 ESP Fit Center 8698 is at -4.828300 4.408891 1.048339 ESP Fit Center 8699 is at -4.959940 4.016129 1.048339 ESP Fit Center 8700 is at -5.054779 3.612897 1.048339 ESP Fit Center 8701 is at -5.112009 3.202635 1.048339 ESP Fit Center 8702 is at -5.131139 2.788842 1.048339 ESP Fit Center 8703 is at 3.742861 4.018675 0.642216 ESP Fit Center 8704 is at 3.612841 4.412723 0.642216 ESP Fit Center 8705 is at 3.447526 4.793315 0.642216 ESP Fit Center 8706 is at 3.248288 5.157297 0.642216 ESP Fit Center 8707 is at 3.016776 5.501653 0.642216 ESP Fit Center 8708 is at 2.754910 5.823531 0.642216 ESP Fit Center 8709 is at 2.464858 6.120262 0.642216 ESP Fit Center 8710 is at 2.149025 6.389387 0.642216 ESP Fit Center 8711 is at 1.810028 6.628678 0.642216 ESP Fit Center 8712 is at 1.450675 6.836150 0.642216 ESP Fit Center 8713 is at 1.073945 7.010085 0.642216 ESP Fit Center 8714 is at 0.682959 7.149042 0.642216 ESP Fit Center 8715 is at 0.280957 7.251868 0.642216 ESP Fit Center 8716 is at -0.128731 7.317713 0.642216 ESP Fit Center 8717 is at -0.542708 7.346029 0.642216 ESP Fit Center 8718 is at -0.957545 7.336584 0.642216 ESP Fit Center 8719 is at -1.369805 7.289454 0.642216 ESP Fit Center 8720 is at -1.776070 7.205031 0.642216 ESP Fit Center 8721 is at -2.172976 7.084014 0.642216 ESP Fit Center 8722 is at -2.557232 6.927406 0.642216 ESP Fit Center 8723 is at -2.925655 6.736505 0.642216 ESP Fit Center 8724 is at -3.275193 6.512892 0.642216 ESP Fit Center 8725 is at -3.602947 6.258420 0.642216 ESP Fit Center 8726 is at -3.906204 5.975198 0.642216 ESP Fit Center 8727 is at -4.182449 5.665573 0.642216 ESP Fit Center 8728 is at -4.429394 5.332111 0.642216 ESP Fit Center 8729 is at -4.644993 4.977574 0.642216 ESP Fit Center 8730 is at -4.827458 4.604901 0.642216 ESP Fit Center 8731 is at -4.975279 4.217179 0.642216 ESP Fit Center 8732 is at -5.087230 3.817622 0.642216 ESP Fit Center 8733 is at -5.162383 3.409539 0.642216 ESP Fit Center 8734 is at -5.200116 2.996314 0.642216 ESP Fit Center 8735 is at 3.778488 4.028657 0.231121 ESP Fit Center 8736 is at 3.647413 4.425903 0.231121 ESP Fit Center 8737 is at 3.480756 4.809584 0.231121 ESP Fit Center 8738 is at 3.279901 5.176521 0.231121 ESP Fit Center 8739 is at 3.046510 5.523673 0.231121 ESP Fit Center 8740 is at 2.782518 5.848162 0.231121 ESP Fit Center 8741 is at 2.490112 6.147302 0.231121 ESP Fit Center 8742 is at 2.171716 6.418612 0.231121 ESP Fit Center 8743 is at 1.829967 6.659845 0.231121 ESP Fit Center 8744 is at 1.467697 6.869001 0.231121 ESP Fit Center 8745 is at 1.087909 7.044348 0.231121 ESP Fit Center 8746 is at 0.693750 7.184432 0.231121 ESP Fit Center 8747 is at 0.288484 7.288093 0.231121 ESP Fit Center 8748 is at -0.124528 7.354472 0.231121 ESP Fit Center 8749 is at -0.541866 7.383019 0.231121 ESP Fit Center 8750 is at -0.960070 7.373497 0.231121 ESP Fit Center 8751 is at -1.375676 7.325985 0.231121 ESP Fit Center 8752 is at -1.785239 7.240877 0.231121 ESP Fit Center 8753 is at -2.185366 7.118877 0.231121 ESP Fit Center 8754 is at -2.572741 6.960998 0.231121 ESP Fit Center 8755 is at -2.944155 6.768547 0.231121 ESP Fit Center 8756 is at -3.296529 6.543119 0.231121 ESP Fit Center 8757 is at -3.626944 6.286582 0.231121 ESP Fit Center 8758 is at -3.932662 6.001061 0.231121 ESP Fit Center 8759 is at -4.211150 5.688923 0.231121 ESP Fit Center 8760 is at -4.460099 5.352754 0.231121 ESP Fit Center 8761 is at -4.677448 4.995339 0.231121 ESP Fit Center 8762 is at -4.861395 4.619641 0.231121 ESP Fit Center 8763 is at -5.010415 4.228772 0.231121 ESP Fit Center 8764 is at -5.123274 3.825972 0.231121 ESP Fit Center 8765 is at -5.199038 3.414577 0.231121 ESP Fit Center 8766 is at -5.237077 2.997998 0.231121 ESP Fit Center 8767 is at 3.778488 4.028657 -0.181636 ESP Fit Center 8768 is at 3.647413 4.425903 -0.181636 ESP Fit Center 8769 is at 3.480756 4.809584 -0.181636 ESP Fit Center 8770 is at 3.279901 5.176521 -0.181636 ESP Fit Center 8771 is at 3.046510 5.523673 -0.181636 ESP Fit Center 8772 is at 2.782518 5.848162 -0.181636 ESP Fit Center 8773 is at 2.490112 6.147302 -0.181636 ESP Fit Center 8774 is at 2.171716 6.418612 -0.181636 ESP Fit Center 8775 is at 1.829967 6.659845 -0.181636 ESP Fit Center 8776 is at 1.467697 6.869001 -0.181636 ESP Fit Center 8777 is at 1.087909 7.044348 -0.181636 ESP Fit Center 8778 is at 0.693750 7.184432 -0.181636 ESP Fit Center 8779 is at 0.288484 7.288093 -0.181636 ESP Fit Center 8780 is at -0.124528 7.354472 -0.181636 ESP Fit Center 8781 is at -0.541866 7.383019 -0.181636 ESP Fit Center 8782 is at -0.960070 7.373497 -0.181636 ESP Fit Center 8783 is at -1.375676 7.325985 -0.181636 ESP Fit Center 8784 is at -1.785239 7.240877 -0.181636 ESP Fit Center 8785 is at -2.185366 7.118877 -0.181636 ESP Fit Center 8786 is at -2.572741 6.960998 -0.181636 ESP Fit Center 8787 is at -2.944155 6.768547 -0.181636 ESP Fit Center 8788 is at -3.296529 6.543119 -0.181636 ESP Fit Center 8789 is at -3.626944 6.286582 -0.181636 ESP Fit Center 8790 is at -3.932662 6.001061 -0.181636 ESP Fit Center 8791 is at -4.211150 5.688923 -0.181636 ESP Fit Center 8792 is at -4.460099 5.352754 -0.181636 ESP Fit Center 8793 is at -4.677448 4.995339 -0.181636 ESP Fit Center 8794 is at -4.861395 4.619641 -0.181636 ESP Fit Center 8795 is at -5.010415 4.228772 -0.181636 ESP Fit Center 8796 is at -5.123274 3.825972 -0.181636 ESP Fit Center 8797 is at -5.199038 3.414577 -0.181636 ESP Fit Center 8798 is at -5.237077 2.997998 -0.181636 ESP Fit Center 8799 is at 3.742861 4.018675 -0.592730 ESP Fit Center 8800 is at 3.612841 4.412723 -0.592730 ESP Fit Center 8801 is at 3.447526 4.793315 -0.592730 ESP Fit Center 8802 is at 3.248288 5.157297 -0.592730 ESP Fit Center 8803 is at 3.016776 5.501653 -0.592730 ESP Fit Center 8804 is at 2.754910 5.823531 -0.592730 ESP Fit Center 8805 is at 2.464858 6.120262 -0.592730 ESP Fit Center 8806 is at 2.149025 6.389387 -0.592730 ESP Fit Center 8807 is at 1.810028 6.628678 -0.592730 ESP Fit Center 8808 is at 1.450675 6.836150 -0.592730 ESP Fit Center 8809 is at 1.073945 7.010085 -0.592730 ESP Fit Center 8810 is at 0.682959 7.149042 -0.592730 ESP Fit Center 8811 is at 0.280957 7.251868 -0.592730 ESP Fit Center 8812 is at -0.128731 7.317713 -0.592730 ESP Fit Center 8813 is at -0.542708 7.346029 -0.592730 ESP Fit Center 8814 is at -0.957545 7.336584 -0.592730 ESP Fit Center 8815 is at -1.369805 7.289454 -0.592730 ESP Fit Center 8816 is at -1.776070 7.205031 -0.592730 ESP Fit Center 8817 is at -2.172976 7.084014 -0.592730 ESP Fit Center 8818 is at -2.557232 6.927406 -0.592730 ESP Fit Center 8819 is at -2.925655 6.736505 -0.592730 ESP Fit Center 8820 is at -3.275193 6.512892 -0.592730 ESP Fit Center 8821 is at -3.602947 6.258420 -0.592730 ESP Fit Center 8822 is at -3.906204 5.975198 -0.592730 ESP Fit Center 8823 is at -4.182449 5.665573 -0.592730 ESP Fit Center 8824 is at -4.429394 5.332111 -0.592730 ESP Fit Center 8825 is at -4.644993 4.977574 -0.592730 ESP Fit Center 8826 is at -4.827458 4.604901 -0.592730 ESP Fit Center 8827 is at -4.975279 4.217179 -0.592730 ESP Fit Center 8828 is at -5.087230 3.817622 -0.592730 ESP Fit Center 8829 is at -5.162383 3.409539 -0.592730 ESP Fit Center 8830 is at -5.200116 2.996314 -0.592730 ESP Fit Center 8831 is at 3.666998 4.016129 -0.998854 ESP Fit Center 8832 is at 3.535358 4.408891 -0.998854 ESP Fit Center 8833 is at 3.368040 4.787830 -0.998854 ESP Fit Center 8834 is at 3.166471 5.149715 -0.998854 ESP Fit Center 8835 is at 2.932372 5.491458 -0.998854 ESP Fit Center 8836 is at 2.667739 5.810143 -0.998854 ESP Fit Center 8837 is at 2.374831 6.103052 -0.998854 ESP Fit Center 8838 is at 2.056146 6.367684 -0.998854 ESP Fit Center 8839 is at 1.714403 6.601783 -0.998854 ESP Fit Center 8840 is at 1.352518 6.803352 -0.998854 ESP Fit Center 8841 is at 0.973578 6.970670 -0.998854 ESP Fit Center 8842 is at 0.580817 7.102311 -0.998854 ESP Fit Center 8843 is at 0.177585 7.197150 -0.998854 ESP Fit Center 8844 is at -0.232678 7.254379 -0.998854 ESP Fit Center 8845 is at -0.646471 7.273510 -0.998854 ESP Fit Center 8846 is at -1.060264 7.254379 -0.998854 ESP Fit Center 8847 is at -1.470527 7.197150 -0.998854 ESP Fit Center 8848 is at -1.873759 7.102311 -0.998854 ESP Fit Center 8849 is at -2.266520 6.970670 -0.998854 ESP Fit Center 8850 is at -2.645460 6.803352 -0.998854 ESP Fit Center 8851 is at -3.007345 6.601783 -0.998854 ESP Fit Center 8852 is at -3.349087 6.367684 -0.998854 ESP Fit Center 8853 is at -3.667773 6.103052 -0.998854 ESP Fit Center 8854 is at -3.960681 5.810143 -0.998854 ESP Fit Center 8855 is at -4.225314 5.491458 -0.998854 ESP Fit Center 8856 is at -4.459413 5.149715 -0.998854 ESP Fit Center 8857 is at -4.660981 4.787830 -0.998854 ESP Fit Center 8858 is at -4.828300 4.408891 -0.998854 ESP Fit Center 8859 is at -4.959940 4.016129 -0.998854 ESP Fit Center 8860 is at -5.054779 3.612897 -0.998854 ESP Fit Center 8861 is at -5.112009 3.202635 -0.998854 ESP Fit Center 8862 is at -5.131139 2.788842 -0.998854 ESP Fit Center 8863 is at 3.649330 3.616789 -1.396736 ESP Fit Center 8864 is at 3.551176 4.021382 -1.396736 ESP Fit Center 8865 is at 3.415009 4.414813 -1.396736 ESP Fit Center 8866 is at 3.242060 4.793518 -1.396736 ESP Fit Center 8867 is at 3.033895 5.154069 -1.396736 ESP Fit Center 8868 is at 2.792401 5.493201 -1.396736 ESP Fit Center 8869 is at 2.519764 5.807841 -1.396736 ESP Fit Center 8870 is at 2.218453 6.095140 -1.396736 ESP Fit Center 8871 is at 1.891197 6.352497 -1.396736 ESP Fit Center 8872 is at 1.540959 6.577581 -1.396736 ESP Fit Center 8873 is at 1.170912 6.768354 -1.396736 ESP Fit Center 8874 is at 0.784406 6.923088 -1.396736 ESP Fit Center 8875 is at 0.384941 7.040381 -1.396736 ESP Fit Center 8876 is at -0.023863 7.119172 -1.396736 ESP Fit Center 8877 is at -0.438307 7.158746 -1.396736 ESP Fit Center 8878 is at -0.854635 7.158746 -1.396736 ESP Fit Center 8879 is at -1.269078 7.119172 -1.396736 ESP Fit Center 8880 is at -1.677883 7.040381 -1.396736 ESP Fit Center 8881 is at -2.077347 6.923088 -1.396736 ESP Fit Center 8882 is at -2.463853 6.768354 -1.396736 ESP Fit Center 8883 is at -2.833901 6.577581 -1.396736 ESP Fit Center 8884 is at -3.184139 6.352497 -1.396736 ESP Fit Center 8885 is at -3.511395 6.095140 -1.396736 ESP Fit Center 8886 is at -3.812706 5.807841 -1.396736 ESP Fit Center 8887 is at -4.085343 5.493201 -1.396736 ESP Fit Center 8888 is at -4.326837 5.154069 -1.396736 ESP Fit Center 8889 is at -4.535002 4.793518 -1.396736 ESP Fit Center 8890 is at -4.707951 4.414813 -1.396736 ESP Fit Center 8891 is at -4.844118 4.021382 -1.396736 ESP Fit Center 8892 is at -4.942271 3.616789 -1.396736 ESP Fit Center 8893 is at -5.001521 3.204698 -1.396736 ESP Fit Center 8894 is at -5.021331 2.788842 -1.396736 ESP Fit Center 8895 is at 3.562989 3.203437 -1.783173 ESP Fit Center 8896 is at 3.502082 3.614040 -1.783173 ESP Fit Center 8897 is at 3.401222 4.016696 -1.783173 ESP Fit Center 8898 is at 3.261380 4.407527 -1.783173 ESP Fit Center 8899 is at 3.083904 4.782769 -1.783173 ESP Fit Center 8900 is at 2.870502 5.138808 -1.783173 ESP Fit Center 8901 is at 2.623230 5.472216 -1.783173 ESP Fit Center 8902 is at 2.344469 5.779781 -1.783173 ESP Fit Center 8903 is at 2.036903 6.058543 -1.783173 ESP Fit Center 8904 is at 1.703495 6.305815 -1.783173 ESP Fit Center 8905 is at 1.347456 6.519217 -1.783173 ESP Fit Center 8906 is at 0.972214 6.696693 -1.783173 ESP Fit Center 8907 is at 0.581383 6.836534 -1.783173 ESP Fit Center 8908 is at 0.178728 6.937394 -1.783173 ESP Fit Center 8909 is at -0.231875 6.998302 -1.783173 ESP Fit Center 8910 is at -0.646471 7.018669 -1.783173 ESP Fit Center 8911 is at -1.061067 6.998302 -1.783173 ESP Fit Center 8912 is at -1.471669 6.937394 -1.783173 ESP Fit Center 8913 is 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4.410976 -2.155053 ESP Fit Center 8932 is at 2.878828 4.784025 -2.155053 ESP Fit Center 8933 is at 2.654996 5.135925 -2.155053 ESP Fit Center 8934 is at 2.396169 5.462946 -2.155053 ESP Fit Center 8935 is at 2.105088 5.761620 -2.155053 ESP Fit Center 8936 is at 1.784841 6.028782 -2.155053 ESP Fit Center 8937 is at 1.438821 6.261600 -2.155053 ESP Fit Center 8938 is at 1.070696 6.457605 -2.155053 ESP Fit Center 8939 is at 0.684369 6.614721 -2.155053 ESP Fit Center 8940 is at 0.283934 6.731282 -2.155053 ESP Fit Center 8941 is at -0.126363 6.806052 -2.155053 ESP Fit Center 8942 is at -0.542173 6.838238 -2.155053 ESP Fit Center 8943 is at -0.959089 6.827500 -2.155053 ESP Fit Center 8944 is at -1.372691 6.773951 -2.155053 ESP Fit Center 8945 is at -1.778594 6.678159 -2.155053 ESP Fit Center 8946 is at -2.172497 6.541139 -2.155053 ESP Fit Center 8947 is at -2.550224 6.364343 -2.155053 ESP Fit Center 8948 is at -2.907771 6.149647 -2.155053 ESP Fit Center 8949 is at -3.241347 5.899325 -2.155053 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ESP Fit Center 9023 is at 2.567412 1.174769 -2.843311 ESP Fit Center 9024 is at 2.733063 1.558792 -2.843311 ESP Fit Center 9025 is at 2.853012 1.959449 -2.843311 ESP Fit Center 9026 is at 2.925636 2.371322 -2.843311 ESP Fit Center 9027 is at 2.678385 2.788842 -3.154146 ESP Fit Center 9028 is at 2.652168 3.205557 -3.154146 ESP Fit Center 9029 is at 2.573929 3.615700 -3.154146 ESP Fit Center 9030 is at 2.444902 4.012803 -3.154146 ESP Fit Center 9031 is at 2.267123 4.390603 -3.154146 ESP Fit Center 9032 is at 2.043394 4.743143 -3.154146 ESP Fit Center 9033 is at 1.777245 5.064862 -3.154146 ESP Fit Center 9034 is at 1.472872 5.350687 -3.154146 ESP Fit Center 9035 is at 1.135076 5.596111 -3.154146 ESP Fit Center 9036 is at 0.769184 5.797262 -3.154146 ESP Fit Center 9037 is at 0.380966 5.950968 -3.154146 ESP Fit Center 9038 is at -0.023455 6.054806 -3.154146 ESP Fit Center 9039 is at -0.437701 6.107137 -3.154146 ESP Fit Center 9040 is at -0.855240 6.107137 -3.154146 ESP Fit Center 9041 is at 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Center 9096 is at -3.232387 4.361372 -3.439386 ESP Fit Center 9097 is at -3.422428 3.994610 -3.439386 ESP Fit Center 9098 is at -3.560758 3.605386 -3.439386 ESP Fit Center 9099 is at -3.644800 3.200952 -3.439386 ESP Fit Center 9100 is at -3.672989 2.788842 -3.439386 ESP Fit Center 9101 is at -3.644800 2.376731 -3.439386 ESP Fit Center 9102 is at -3.560758 1.972297 -3.439386 ESP Fit Center 9103 is at -3.422428 1.583073 -3.439386 ESP Fit Center 9104 is at -3.232387 1.216311 -3.439386 ESP Fit Center 9105 is at -2.994175 0.878842 -3.439386 ESP Fit Center 9106 is at -2.712230 0.576953 -3.439386 ESP Fit Center 9107 is at -2.391804 0.316267 -3.439386 ESP Fit Center 9108 is at -2.038866 0.101641 -3.439386 ESP Fit Center 9109 is at -1.659990 -0.062928 -3.439386 ESP Fit Center 9110 is at -1.262234 -0.174374 -3.439386 ESP Fit Center 9111 is at -0.853008 -0.230621 -3.439386 ESP Fit Center 9112 is at -0.439934 -0.230621 -3.439386 ESP Fit Center 9113 is at -0.030708 -0.174374 -3.439386 ESP Fit Center 9114 is at 0.367048 -0.062928 -3.439386 ESP Fit Center 9115 is at 0.745924 0.101641 -3.439386 ESP Fit Center 9116 is at 1.098863 0.316267 -3.439386 ESP Fit Center 9117 is at 1.419289 0.576953 -3.439386 ESP Fit Center 9118 is at 1.701233 0.878842 -3.439386 ESP Fit Center 9119 is at 1.939445 1.216311 -3.439386 ESP Fit Center 9120 is at 2.129486 1.583073 -3.439386 ESP Fit Center 9121 is at 2.267816 1.972297 -3.439386 ESP Fit Center 9122 is at 2.351858 2.376731 -3.439386 ESP Fit Center 9123 is at 2.057341 2.788842 -3.696736 ESP Fit Center 9124 is at 2.025654 3.201577 -3.696736 ESP Fit Center 9125 is at 1.931334 3.604637 -3.696736 ESP Fit Center 9126 is at 1.776592 3.988577 -3.696736 ESP Fit Center 9127 is at 1.565056 4.344395 -3.696736 ESP Fit Center 9128 is at 1.301684 4.663753 -3.696736 ESP Fit Center 9129 is at 0.992649 4.939164 -3.696736 ESP Fit Center 9130 is at 0.645194 5.164174 -3.696736 ESP Fit Center 9131 is at 0.267463 5.333507 -3.696736 ESP Fit Center 9132 is at -0.131689 5.443196 -3.696736 ESP Fit Center 9133 is at -0.542908 5.490670 -3.696736 ESP Fit Center 9134 is at -0.956553 5.474814 -3.696736 ESP Fit Center 9135 is at -1.362931 5.396002 -3.696736 ESP Fit Center 9136 is at -1.752516 5.256080 -3.696736 ESP Fit Center 9137 is at -2.116175 5.058328 -3.696736 ESP Fit Center 9138 is at -2.445387 4.807381 -3.696736 ESP Fit Center 9139 is at -2.732433 4.509122 -3.696736 ESP Fit Center 9140 is at -2.970586 4.170540 -3.696736 ESP Fit Center 9141 is at -3.154263 3.799573 -3.696736 ESP Fit Center 9142 is at -3.279160 3.404915 -3.696736 ESP Fit Center 9143 is at -3.342350 2.995816 -3.696736 ESP Fit Center 9144 is at -3.342350 2.581867 -3.696736 ESP Fit Center 9145 is at -3.279160 2.172768 -3.696736 ESP Fit Center 9146 is at -3.154263 1.778110 -3.696736 ESP Fit Center 9147 is at -2.970586 1.407143 -3.696736 ESP Fit Center 9148 is at -2.732433 1.068562 -3.696736 ESP Fit Center 9149 is at -2.445387 0.770302 -3.696736 ESP Fit Center 9150 is at -2.116175 0.519355 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Center 9169 is at 0.824551 4.633445 -3.924122 ESP Fit Center 9170 is at 0.471545 4.866463 -3.924122 ESP Fit Center 9171 is at 0.082604 5.032704 -3.924122 ESP Fit Center 9172 is at -0.329769 5.126826 -3.924122 ESP Fit Center 9173 is at -0.752322 5.145803 -3.924122 ESP Fit Center 9174 is at -1.171473 5.089025 -3.924122 ESP Fit Center 9175 is at -1.573749 4.958317 -3.924122 ESP Fit Center 9176 is at -1.946222 4.757881 -3.924122 ESP Fit Center 9177 is at -2.276920 4.494158 -3.924122 ESP Fit Center 9178 is at -2.555214 4.175625 -3.924122 ESP Fit Center 9179 is at -2.772160 3.812519 -3.924122 ESP Fit Center 9180 is at -2.920784 3.416512 -3.924122 ESP Fit Center 9181 is at -2.996310 3.000331 -3.924122 ESP Fit Center 9182 is at -2.996310 2.577352 -3.924122 ESP Fit Center 9183 is at -2.920784 2.161171 -3.924122 ESP Fit Center 9184 is at -2.772160 1.765164 -3.924122 ESP Fit Center 9185 is at -2.555214 1.402058 -3.924122 ESP Fit Center 9186 is at -2.276920 1.083525 -3.924122 ESP Fit Center 9187 is at -1.946222 0.819802 -3.924122 ESP Fit Center 9188 is at -1.573749 0.619366 -3.924122 ESP Fit Center 9189 is at -1.171473 0.488658 -3.924122 ESP Fit Center 9190 is at -0.752322 0.431881 -3.924122 ESP Fit Center 9191 is at -0.329769 0.450857 -3.924122 ESP Fit Center 9192 is at 0.082604 0.544979 -3.924122 ESP Fit Center 9193 is at 0.471545 0.711220 -3.924122 ESP Fit Center 9194 is at 0.824551 0.944238 -3.924122 ESP Fit Center 9195 is at 1.130278 1.236543 -3.924122 ESP Fit Center 9196 is at 1.378899 1.578739 -3.924122 ESP Fit Center 9197 is at 1.562422 1.959830 -3.924122 ESP Fit Center 9198 is at 1.674950 2.367566 -3.924122 ESP Fit Center 9199 is at 1.349394 2.788842 -4.119714 ESP Fit Center 9200 is at 1.305780 3.203805 -4.119714 ESP Fit Center 9201 is at 1.176843 3.600633 -4.119714 ESP Fit Center 9202 is at 0.968218 3.961982 -4.119714 ESP Fit Center 9203 is at 0.689024 4.272058 -4.119714 ESP Fit Center 9204 is at 0.351462 4.517312 -4.119714 ESP Fit Center 9205 is at -0.029715 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Center 9242 is at -2.207720 2.370506 -4.281938 ESP Fit Center 9243 is at -2.046249 1.980679 -4.281938 ESP Fit Center 9244 is at -1.789385 1.645928 -4.281938 ESP Fit Center 9245 is at -1.454633 1.389064 -4.281938 ESP Fit Center 9246 is at -1.064806 1.227592 -4.281938 ESP Fit Center 9247 is at -0.646471 1.172517 -4.281938 ESP Fit Center 9248 is at -0.228135 1.227592 -4.281938 ESP Fit Center 9249 is at 0.161691 1.389064 -4.281938 ESP Fit Center 9250 is at 0.496443 1.645928 -4.281938 ESP Fit Center 9251 is at 0.753307 1.980679 -4.281938 ESP Fit Center 9252 is at 0.914778 2.370506 -4.281938 ESP Fit Center 9253 is at 0.577299 2.788842 -4.409487 ESP Fit Center 9254 is at 0.503496 3.207395 -4.409487 ESP Fit Center 9255 is at 0.290991 3.575465 -4.409487 ESP Fit Center 9256 is at -0.034586 3.848657 -4.409487 ESP Fit Center 9257 is at -0.433966 3.994019 -4.409487 ESP Fit Center 9258 is at -0.858976 3.994019 -4.409487 ESP Fit Center 9259 is at -1.258356 3.848657 -4.409487 ESP Fit Center 9260 is at 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4.038536 ESP Fit Center 9297 is at -4.366834 0.561811 4.038536 ESP Fit Center 9298 is at -4.777258 0.671784 4.038536 ESP Fit Center 9299 is at -5.187682 0.561811 4.038536 ESP Fit Center 9300 is at -5.488133 0.261360 4.038536 ESP Fit Center 9301 is at -3.577258 -0.149064 3.861735 ESP Fit Center 9302 is at -3.649627 0.261360 3.861735 ESP Fit Center 9303 is at -3.858004 0.622281 3.861735 ESP Fit Center 9304 is at -4.177258 0.890166 3.861735 ESP Fit Center 9305 is at -4.568880 1.032705 3.861735 ESP Fit Center 9306 is at -4.985636 1.032705 3.861735 ESP Fit Center 9307 is at -5.377258 0.890166 3.861735 ESP Fit Center 9308 is at -5.696511 0.622281 3.861735 ESP Fit Center 9309 is at -5.904889 0.261360 3.861735 ESP Fit Center 9310 is at -3.234568 -0.149064 3.621780 ESP Fit Center 9311 is at -3.291775 0.267148 3.621780 ESP Fit Center 9312 is at -3.459153 0.652493 3.621780 ESP Fit Center 9313 is at -3.724290 0.978389 3.621780 ESP Fit Center 9314 is at -4.067520 1.220667 3.621780 ESP Fit Center 9315 is at -4.463388 1.361359 3.621780 ESP Fit Center 9316 is at -4.882535 1.390029 3.621780 ESP Fit Center 9317 is at -5.293873 1.304552 3.621780 ESP Fit Center 9318 is at -5.666897 1.111267 3.621780 ESP Fit Center 9319 is at -5.973940 0.824509 3.621780 ESP Fit Center 9320 is at -6.192231 0.465545 3.621780 ESP Fit Center 9321 is at -2.938751 -0.149064 3.325964 ESP Fit Center 9322 is at -2.988308 0.274924 3.325964 ESP Fit Center 9323 is at -3.134308 0.676056 3.325964 ESP Fit Center 9324 is at -3.368880 1.032705 3.325964 ESP Fit Center 9325 is at -3.679378 1.325644 3.325964 ESP Fit Center 9326 is at -4.049062 1.539082 3.325964 ESP Fit Center 9327 is at -4.458004 1.661511 3.325964 ESP Fit Center 9328 is at -4.884157 1.686332 3.325964 ESP Fit Center 9329 is at -5.304547 1.612206 3.325964 ESP Fit Center 9330 is at -5.696511 1.443129 3.325964 ESP Fit Center 9331 is at -6.038918 1.188217 3.325964 ESP Fit Center 9332 is at -6.313308 0.861211 3.325964 ESP Fit Center 9333 is at -6.504889 0.479742 3.325964 ESP Fit Center 9334 is at -4.055397 1.800017 2.983274 ESP Fit Center 9335 is at -4.462521 1.905428 2.983274 ESP Fit Center 9336 is at -4.882530 1.926729 2.983274 ESP Fit Center 9337 is at -5.298229 1.863046 2.983274 ESP Fit Center 9338 is at -5.692600 1.716987 2.983274 ESP Fit Center 9339 is at -6.049496 1.494532 2.983274 ESP Fit Center 9340 is at -6.354307 1.204788 2.983274 ESP Fit Center 9341 is at -6.594553 0.859617 2.983274 ESP Fit Center 9342 is at -4.669948 2.103643 2.604122 ESP Fit Center 9343 is at -5.098215 2.083243 2.604122 ESP Fit Center 9344 is at -5.514882 1.982160 2.604122 ESP Fit Center 9345 is at -5.904889 1.804050 2.604122 ESP Fit Center 9346 is at -6.254141 1.555349 2.604122 ESP Fit Center 9347 is at -6.550014 1.245046 2.604122 ESP Fit Center 9348 is at -6.781815 0.884357 2.604122 ESP Fit Center 9349 is at -4.883298 2.212094 2.200029 ESP Fit Center 9350 is at -5.303195 2.155215 2.200029 ESP Fit Center 9351 is at -5.706188 2.024275 2.200029 ESP Fit Center 9352 is at -6.079324 1.823482 2.200029 ESP Fit Center 9353 is at -6.410611 1.559289 2.200029 ESP Fit Center 9354 is at -6.689401 1.240189 2.200029 ESP Fit Center 9355 is at -5.194013 2.214474 1.783274 ESP Fit Center 9356 is at -5.598106 2.106198 1.783274 ESP Fit Center 9357 is at -5.977258 1.929397 1.783274 ESP Fit Center 9358 is at -6.319948 1.689442 1.783274 ESP Fit Center 9359 is at -6.615764 1.393626 1.783274 ESP Fit Center 9360 is at -5.303195 2.155215 1.366518 ESP Fit Center 9361 is at -5.706188 2.024275 1.366518 ESP Fit Center 9362 is at -6.079324 1.823482 1.366518 ESP Fit Center 9363 is at -6.410611 1.559289 1.366518 ESP Fit Center 9364 is at -7.292594 0.745059 1.001129 ESP Fit Center 9365 is at -7.015165 1.363679 0.705313 ESP Fit Center 9366 is at -7.357572 1.108767 0.705313 ESP Fit Center 9367 is at -7.631962 0.781761 0.705313 ESP Fit Center 9368 is at -7.823543 0.400292 0.705313 ESP Fit Center 9369 is at -7.368150 1.415082 0.362622 ESP Fit Center 9370 is at -7.672961 1.125338 0.362622 ESP Fit Center 9371 is at -7.913207 0.780167 0.362622 ESP Fit Center 9372 is at -8.079053 0.393700 0.362622 ESP Fit Center 9373 is at -8.163709 -0.018240 0.362622 ESP Fit Center 9374 is at -8.163709 -0.438789 0.362622 ESP Fit Center 9375 is at -7.223543 1.724600 -0.016529 ESP Fit Center 9376 is at -7.572794 1.475899 -0.016529 ESP Fit Center 9377 is at -7.868668 1.165596 -0.016529 ESP Fit Center 9378 is at -8.100469 0.804906 -0.016529 ESP Fit Center 9379 is at -8.259820 0.406866 -0.016529 ESP Fit Center 9380 is at -8.340962 -0.014138 -0.016529 ESP Fit Center 9381 is at -8.340962 -0.442891 -0.016529 ESP Fit Center 9382 is at -8.259820 -0.863895 -0.016529 ESP Fit Center 9383 is at -8.100469 -1.261936 -0.016529 ESP Fit Center 9384 is at -7.397978 1.744031 -0.420622 ESP Fit Center 9385 is at -7.729265 1.479839 -0.420622 ESP Fit Center 9386 is at -8.008055 1.160739 -0.420622 ESP Fit Center 9387 is at -8.225386 0.796986 -0.420622 ESP Fit Center 9388 is at -8.374275 0.400274 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-2.067021 -0.837378 ESP Fit Center 9407 is at -7.295912 -2.306976 -0.837378 ESP Fit Center 9408 is at -7.397978 1.744031 -1.254133 ESP Fit Center 9409 is at -7.729265 1.479839 -1.254133 ESP Fit Center 9410 is at -8.008055 1.160739 -1.254133 ESP Fit Center 9411 is at -8.225386 0.796986 -1.254133 ESP Fit Center 9412 is at -8.374275 0.400274 -1.254133 ESP Fit Center 9413 is at -8.449935 -0.016649 -1.254133 ESP Fit Center 9414 is at -8.449935 -0.440381 -1.254133 ESP Fit Center 9415 is at -8.374275 -0.857303 -1.254133 ESP Fit Center 9416 is at -8.225386 -1.254016 -1.254133 ESP Fit Center 9417 is at -8.008055 -1.617768 -1.254133 ESP Fit Center 9418 is at -7.729265 -1.936868 -1.254133 ESP Fit Center 9419 is at -7.397978 -2.201061 -1.254133 ESP Fit Center 9420 is at -7.024842 -2.401854 -1.254133 ESP Fit Center 9421 is at -7.223543 1.724600 -1.658226 ESP Fit Center 9422 is at -7.572794 1.475899 -1.658226 ESP Fit Center 9423 is at -7.868668 1.165596 -1.658226 ESP Fit Center 9424 is at -8.100469 0.804906 -1.658226 ESP Fit Center 9425 is at -8.259820 0.406866 -1.658226 ESP Fit Center 9426 is at -8.340962 -0.014138 -1.658226 ESP Fit Center 9427 is at -8.340962 -0.442891 -1.658226 ESP Fit Center 9428 is at -8.259820 -0.863895 -1.658226 ESP Fit Center 9429 is at -8.100469 -1.261936 -1.658226 ESP Fit Center 9430 is at -7.868668 -1.622625 -1.658226 ESP Fit Center 9431 is at -7.572794 -1.932928 -1.658226 ESP Fit Center 9432 is at -7.223543 -2.181629 -1.658226 ESP Fit Center 9433 is at -6.833536 -2.359739 -1.658226 ESP Fit Center 9434 is at -7.368150 1.415082 -2.037378 ESP Fit Center 9435 is at -7.672961 1.125338 -2.037378 ESP Fit Center 9436 is at -7.913207 0.780167 -2.037378 ESP Fit Center 9437 is at -8.079053 0.393700 -2.037378 ESP Fit Center 9438 is at -8.163709 -0.018240 -2.037378 ESP Fit Center 9439 is at -8.163709 -0.438789 -2.037378 ESP Fit Center 9440 is at -8.079053 -0.850729 -2.037378 ESP Fit Center 9441 is at -7.913207 -1.237196 -2.037378 ESP Fit Center 9442 is at 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ESP Fit Center 9497 is at 2.022671 -3.668572 2.239350 ESP Fit Center 9498 is at 2.403085 -3.510999 2.239350 ESP Fit Center 9499 is at 2.729754 -3.260337 2.239350 ESP Fit Center 9500 is at 0.231790 -3.454733 1.978427 ESP Fit Center 9501 is at 0.545665 -3.721341 1.978427 ESP Fit Center 9502 is at 0.909515 -3.914242 1.978427 ESP Fit Center 9503 is at 1.306326 -4.024416 1.978427 ESP Fit Center 9504 is at 1.717544 -4.046711 1.978427 ESP Fit Center 9505 is at 2.123940 -3.980086 1.978427 ESP Fit Center 9506 is at 2.506513 -3.827655 1.978427 ESP Fit Center 9507 is at 2.847373 -3.596546 1.978427 ESP Fit Center 9508 is at 0.180863 -3.799453 1.671653 ESP Fit Center 9509 is at 0.519873 -4.040861 1.671653 ESP Fit Center 9510 is at 0.898443 -4.213748 1.671653 ESP Fit Center 9511 is at 1.302891 -4.311867 1.671653 ESP Fit Center 9512 is at 1.718600 -4.331669 1.671653 ESP Fit Center 9513 is at 2.130543 -4.272441 1.671653 ESP Fit Center 9514 is at 2.523834 -4.136322 1.671653 ESP Fit Center 9515 is at 0.172528 -4.094610 1.325882 ESP Fit Center 9516 is at 0.522751 -4.310251 1.325882 ESP Fit Center 9517 is at 0.904379 -4.463602 1.325882 ESP Fit Center 9518 is at 1.306435 -4.550251 1.325882 ESP Fit Center 9519 is at 1.717351 -4.567707 1.325882 ESP Fit Center 9520 is at 2.125307 -4.515466 1.325882 ESP Fit Center 9521 is at 2.518566 -4.395032 1.325882 ESP Fit Center 9522 is at 0.082406 -4.253680 0.948837 ESP Fit Center 9523 is at 0.431135 -4.467381 0.948837 ESP Fit Center 9524 is at 0.809001 -4.623898 0.948837 ESP Fit Center 9525 is at 1.206699 -4.719377 0.948837 ESP Fit Center 9526 is at 1.614437 -4.751467 0.948837 ESP Fit Center 9527 is at 2.022175 -4.719377 0.948837 ESP Fit Center 9528 is at 2.419873 -4.623898 0.948837 ESP Fit Center 9529 is at 0.130607 -4.436319 0.548940 ESP Fit Center 9530 is at 0.497762 -4.635971 0.548940 ESP Fit Center 9531 is at 0.891091 -4.777238 0.548940 ESP Fit Center 9532 is at 1.301374 -4.856808 0.548940 ESP Fit Center 9533 is at 1.718996 -4.872816 0.548940 ESP Fit Center 9534 is at 2.134166 -4.824886 0.548940 ESP Fit Center 9535 is at 2.537155 -4.714143 0.548940 ESP Fit Center 9536 is at 0.218352 -4.563111 0.135126 ESP Fit Center 9537 is at 0.594342 -4.744179 0.135126 ESP Fit Center 9538 is at 0.993120 -4.867186 0.135126 ESP Fit Center 9539 is at 1.405778 -4.929384 0.135126 ESP Fit Center 9540 is at 1.823096 -4.929384 0.135126 ESP Fit Center 9541 is at 2.235753 -4.867186 0.135126 ESP Fit Center 9542 is at 2.634531 -4.744179 0.135126 ESP Fit Center 9543 is at 0.218352 -4.563111 -0.283363 ESP Fit Center 9544 is at 0.594342 -4.744179 -0.283363 ESP Fit Center 9545 is at 0.993120 -4.867186 -0.283363 ESP Fit Center 9546 is at 1.405778 -4.929384 -0.283363 ESP Fit Center 9547 is at 1.823096 -4.929384 -0.283363 ESP Fit Center 9548 is at 2.235753 -4.867186 -0.283363 ESP Fit Center 9549 is at 2.634531 -4.744179 -0.283363 ESP Fit Center 9550 is at 0.130607 -4.436319 -0.697177 ESP Fit Center 9551 is at 0.497762 -4.635971 -0.697177 ESP Fit Center 9552 is at 0.891091 -4.777238 -0.697177 ESP Fit Center 9553 is at 1.301374 -4.856808 -0.697177 ESP Fit Center 9554 is at 1.718996 -4.872816 -0.697177 ESP Fit Center 9555 is at 2.134166 -4.824886 -0.697177 ESP Fit Center 9556 is at 2.537155 -4.714143 -0.697177 ESP Fit Center 9557 is at 0.082406 -4.253680 -1.097073 ESP Fit Center 9558 is at 0.431135 -4.467381 -1.097073 ESP Fit Center 9559 is at 0.809001 -4.623898 -1.097073 ESP Fit Center 9560 is at 1.206699 -4.719377 -1.097073 ESP Fit Center 9561 is at 1.614437 -4.751467 -1.097073 ESP Fit Center 9562 is at 2.022175 -4.719377 -1.097073 ESP Fit Center 9563 is at 2.419873 -4.623898 -1.097073 ESP Fit Center 9564 is at 0.172528 -4.094610 -1.474118 ESP Fit Center 9565 is at 0.522751 -4.310251 -1.474118 ESP Fit Center 9566 is at 0.904379 -4.463602 -1.474118 ESP Fit Center 9567 is at 1.306435 -4.550251 -1.474118 ESP Fit Center 9568 is at 1.717351 -4.567707 -1.474118 ESP Fit Center 9569 is at 2.125307 -4.515466 -1.474118 ESP Fit Center 9570 is at 2.518566 -4.395032 -1.474118 ESP Fit Center 9571 is at 0.180863 -3.799453 -1.819890 ESP Fit Center 9572 is at 0.519873 -4.040861 -1.819890 ESP Fit Center 9573 is at 0.898443 -4.213748 -1.819890 ESP Fit Center 9574 is at 1.302891 -4.311867 -1.819890 ESP Fit Center 9575 is at 1.718600 -4.331669 -1.819890 ESP Fit Center 9576 is at 2.130543 -4.272441 -1.819890 ESP Fit Center 9577 is at 2.523834 -4.136322 -1.819890 ESP Fit Center 9578 is at 2.884256 -3.928232 -1.819890 ESP Fit Center 9579 is at 0.545665 -3.721341 -2.126664 ESP Fit Center 9580 is at 0.909515 -3.914242 -2.126664 ESP Fit Center 9581 is at 1.306326 -4.024416 -2.126664 ESP Fit Center 9582 is at 1.717544 -4.046711 -2.126664 ESP Fit Center 9583 is at 2.123940 -3.980086 -2.126664 ESP Fit Center 9584 is at 2.506513 -3.827655 -2.126664 ESP Fit Center 9585 is at 2.847373 -3.596546 -2.126664 ESP Fit Center 9586 is at 0.499120 -3.260337 -2.387587 ESP Fit Center 9587 is at 0.825789 -3.510999 -2.387587 ESP Fit Center 9588 is at 1.206203 -3.668572 -2.387587 ESP Fit Center 9589 is at 1.614437 -3.722317 -2.387587 ESP Fit Center 9590 is at 2.022671 -3.668572 -2.387587 ESP Fit Center 9591 is at 2.403085 -3.510999 -2.387587 ESP Fit Center 9592 is at 2.729754 -3.260337 -2.387587 ESP Fit Center 9593 is at 0.683789 -2.925927 -2.596831 ESP Fit Center 9594 is at 1.007000 -3.197133 -2.596831 ESP Fit Center 9595 is at 1.403476 -3.341438 -2.596831 ESP Fit Center 9596 is at 1.825398 -3.341438 -2.596831 ESP Fit Center 9597 is at 2.221874 -3.197133 -2.596831 ESP Fit Center 9598 is at 2.545085 -2.925927 -2.596831 ESP Fit Center 9599 is at 2.756045 -2.560532 -2.596831 ESP Fit Center 9600 is at 0.899694 -1.732363 -2.749722 ESP Fit Center 9601 is at 0.789122 -2.145021 -2.749722 ESP Fit Center 9602 is at 0.899694 -2.557678 -2.749722 ESP Fit Center 9603 is at 1.201780 -2.859764 -2.749722 ESP Fit Center 9604 is at 1.614437 -2.970335 -2.749722 ESP Fit Center 9605 is at 2.027094 -2.859764 -2.749722 ESP Fit Center 9606 is at 2.329180 -2.557678 -2.749722 ESP Fit Center 9607 is at 2.031755 -2.145021 -2.842845 ESP Fit Center 9608 is at 1.197119 -2.145021 -2.842845 ESP Fit Center 9609 is at 1.405778 -2.506429 -2.842845 ESP Fit Center 9610 is at 1.823096 -2.506429 -2.842845 ESP Fit Center 9611 is at 1.614437 -2.145021 -2.874118 ESP Fit Center 9612 is at 3.420951 -0.667942 3.000508 ESP Fit Center 9613 is at 3.829451 -0.667942 2.972566 ESP Fit Center 9614 is at 3.625201 -0.314171 2.972566 ESP Fit Center 9615 is at 3.216701 -0.314171 2.972566 ESP Fit Center 9616 is at 3.012451 -0.667942 2.972566 ESP Fit Center 9617 is at 3.216701 -1.021714 2.972566 ESP Fit Center 9618 is at 3.625201 -1.021714 2.972566 ESP Fit Center 9619 is at 4.230341 -0.667942 2.889260 ESP Fit Center 9620 is at 4.121903 -0.263247 2.889260 ESP Fit Center 9621 is at 3.016256 0.033010 2.889260 ESP Fit Center 9622 is at 2.719998 -0.263247 2.889260 ESP Fit Center 9623 is at 2.611560 -0.667942 2.889260 ESP Fit Center 9624 is at 2.719998 -1.072637 2.889260 ESP Fit Center 9625 is at 3.016256 -1.368895 2.889260 ESP Fit Center 9626 is at 3.420951 -1.477333 2.889260 ESP Fit Center 9627 is at 2.505372 0.100320 2.752142 ESP Fit Center 9628 is at 2.823349 -1.703019 2.752142 ESP Fit Center 9629 is at 4.544074 -0.259159 -2.751126 ESP Fit Center 9630 is at 2.823349 0.367134 -2.751126 ESP Fit Center 9631 is at 4.230341 -0.667942 -2.888244 ESP Fit Center 9632 is at 4.121903 -0.263247 -2.888244 ESP Fit Center 9633 is at 3.825646 0.033010 -2.888244 ESP Fit Center 9634 is at 3.420951 0.141448 -2.888244 ESP Fit Center 9635 is at 3.016256 0.033010 -2.888244 ESP Fit Center 9636 is at 2.719998 -0.263247 -2.888244 ESP Fit Center 9637 is at 3.016256 -1.368895 -2.888244 ESP Fit Center 9638 is at 3.420951 -1.477333 -2.888244 ESP Fit Center 9639 is at 3.829451 -0.667942 -2.971550 ESP Fit Center 9640 is at 3.625201 -0.314171 -2.971550 ESP Fit Center 9641 is at 3.216701 -0.314171 -2.971550 ESP Fit Center 9642 is at 3.012451 -0.667942 -2.971550 ESP Fit Center 9643 is at 3.216701 -1.021714 -2.971550 ESP Fit Center 9644 is at 3.625201 -1.021714 -2.971550 ESP Fit Center 9645 is at 3.420951 -0.667942 -2.999492 ESP Fit Center 9646 is at 4.289054 -1.678951 2.990886 ESP Fit Center 9647 is at 4.697554 -1.678951 2.962944 ESP Fit Center 9648 is at 4.493304 -1.325180 2.962944 ESP Fit Center 9649 is at 4.084804 -1.325180 2.962944 ESP Fit Center 9650 is at 3.880554 -1.678951 2.962944 ESP Fit Center 9651 is at 4.084804 -2.032722 2.962944 ESP Fit Center 9652 is at 4.493304 -2.032722 2.962944 ESP Fit Center 9653 is at 4.693750 -0.977998 2.879638 ESP Fit Center 9654 is at 4.289054 -0.869561 2.879638 ESP Fit Center 9655 is at 3.479664 -1.678951 2.879638 ESP Fit Center 9656 is at 3.588102 -2.083646 2.879638 ESP Fit Center 9657 is at 3.884359 -2.379904 2.879638 ESP Fit Center 9658 is at 4.289054 -2.488341 2.879638 ESP Fit Center 9659 is at 4.693750 -2.379904 2.879638 ESP Fit Center 9660 is at 4.990007 -2.083646 2.879638 ESP Fit Center 9661 is at 3.165931 -2.087735 2.742520 ESP Fit Center 9662 is at 3.373476 -2.447213 2.742520 ESP Fit Center 9663 is at 3.691453 -2.714027 2.742520 ESP Fit Center 9664 is at 4.081509 -2.855996 2.742520 ESP Fit Center 9665 is at 4.496599 -2.855996 2.742520 ESP Fit Center 9666 is at 4.886656 -2.714027 2.742520 ESP Fit Center 9667 is at 2.859350 -2.299959 2.554144 ESP Fit Center 9668 is at 3.079913 -2.662660 2.554144 ESP Fit Center 9669 is at 3.390153 -2.952404 2.554144 ESP Fit Center 9670 is at 3.767060 -3.147702 2.554144 ESP Fit Center 9671 is at 4.182681 -3.234069 2.554144 ESP Fit Center 9672 is at 4.606192 -3.205100 2.554144 ESP Fit Center 9673 is at 5.006182 -3.062944 2.554144 ESP Fit Center 9674 is at 2.914553 -2.980947 2.318020 ESP Fit Center 9675 is at 3.226579 -3.245985 2.318020 ESP Fit Center 9676 is at 3.588285 -3.437749 2.318020 ESP Fit Center 9677 is at 3.982758 -3.547274 2.318020 ESP Fit Center 9678 is at 4.391554 -3.569438 2.318020 ESP Fit Center 9679 is at 4.795556 -3.503205 2.318020 ESP Fit Center 9680 is at 5.175875 -3.351672 2.318020 ESP Fit Center 9681 is at 4.393378 -3.868975 2.038546 ESP Fit Center 9682 is at 4.805958 -3.809655 2.038546 ESP Fit Center 9683 is at 5.199855 -3.673326 2.038546 ESP Fit Center 9684 is at 4.805410 -4.074851 1.720927 ESP Fit Center 9685 is at 5.202892 -3.953123 1.720927 ESP Fit Center 9686 is at 5.394622 -4.280570 0.995525 ESP Fit Center 9687 is at 5.498329 -4.052286 -1.389309 ESP Fit Center 9688 is at 5.202892 -3.953123 -1.739155 ESP Fit Center 9689 is at 4.805958 -3.809655 -2.056773 ESP Fit Center 9690 is at 5.199855 -3.673326 -2.056773 ESP Fit Center 9691 is at 3.226579 -3.245985 -2.336248 ESP Fit Center 9692 is at 3.588285 -3.437749 -2.336248 ESP Fit Center 9693 is at 3.982758 -3.547274 -2.336248 ESP Fit Center 9694 is at 4.391554 -3.569438 -2.336248 ESP Fit Center 9695 is at 4.795556 -3.503205 -2.336248 ESP Fit Center 9696 is at 5.175875 -3.351672 -2.336248 ESP Fit Center 9697 is at 3.079913 -2.662660 -2.572372 ESP Fit Center 9698 is at 3.390153 -2.952404 -2.572372 ESP Fit Center 9699 is at 3.767060 -3.147702 -2.572372 ESP Fit Center 9700 is at 4.182681 -3.234069 -2.572372 ESP Fit Center 9701 is at 4.606192 -3.205100 -2.572372 ESP Fit Center 9702 is at 5.006182 -3.062944 -2.572372 ESP Fit Center 9703 is at 4.886656 -0.643875 -2.760748 ESP Fit Center 9704 is at 3.165931 -2.087735 -2.760748 ESP Fit Center 9705 is at 3.373476 -2.447213 -2.760748 ESP Fit Center 9706 is at 3.691453 -2.714027 -2.760748 ESP Fit Center 9707 is at 4.081509 -2.855996 -2.760748 ESP Fit Center 9708 is at 4.496599 -2.855996 -2.760748 ESP Fit Center 9709 is at 4.886656 -2.714027 -2.760748 ESP Fit Center 9710 is at 5.204633 -2.447213 -2.760748 ESP Fit Center 9711 is at 5.098445 -1.678951 -2.897866 ESP Fit Center 9712 is at 4.990007 -1.274256 -2.897866 ESP Fit Center 9713 is at 4.693750 -0.977998 -2.897866 ESP Fit Center 9714 is at 4.289054 -0.869561 -2.897866 ESP Fit Center 9715 is at 3.479664 -1.678951 -2.897866 ESP Fit Center 9716 is at 3.588102 -2.083646 -2.897866 ESP Fit Center 9717 is at 3.884359 -2.379904 -2.897866 ESP Fit Center 9718 is at 4.289054 -2.488341 -2.897866 ESP Fit Center 9719 is at 4.693750 -2.379904 -2.897866 ESP Fit Center 9720 is at 4.990007 -2.083646 -2.897866 ESP Fit Center 9721 is at 4.697554 -1.678951 -2.981172 ESP Fit Center 9722 is at 4.493304 -1.325180 -2.981172 ESP Fit Center 9723 is at 4.084804 -1.325180 -2.981172 ESP Fit Center 9724 is at 3.880554 -1.678951 -2.981172 ESP Fit Center 9725 is at 4.084804 -2.032722 -2.981172 ESP Fit Center 9726 is at 4.493304 -2.032722 -2.981172 ESP Fit Center 9727 is at 4.289054 -1.678951 -3.009114 ESP Fit Center 9728 is at 5.727847 -1.416211 3.026692 ESP Fit Center 9729 is at 6.136347 -1.416211 2.998750 ESP Fit Center 9730 is at 5.932097 -1.062440 2.998750 ESP Fit Center 9731 is at 5.523597 -1.062440 2.998750 ESP Fit Center 9732 is at 5.319347 -1.416211 2.998750 ESP Fit Center 9733 is at 5.523597 -1.769982 2.998750 ESP Fit Center 9734 is at 5.932097 -1.769982 2.998750 ESP Fit Center 9735 is at 6.537237 -1.416211 2.915444 ESP Fit Center 9736 is at 5.323152 -0.715258 2.915444 ESP Fit Center 9737 is at 5.026894 -1.011516 2.915444 ESP Fit Center 9738 is at 4.918456 -1.416211 2.915444 ESP Fit Center 9739 is at 5.026894 -1.820906 2.915444 ESP Fit Center 9740 is at 5.323152 -2.117164 2.915444 ESP Fit Center 9741 is at 5.727847 -2.225601 2.915444 ESP Fit Center 9742 is at 6.132542 -2.117164 2.915444 ESP Fit Center 9743 is at 6.428799 -1.820906 2.915444 ESP Fit Center 9744 is at 6.923050 -1.416211 2.778326 ESP Fit Center 9745 is at 4.812268 -0.647949 2.778326 ESP Fit Center 9746 is at 5.130245 -2.451287 2.778326 ESP Fit Center 9747 is at 5.520302 -2.593257 2.778326 ESP Fit Center 9748 is at 5.935392 -2.593257 2.778326 ESP Fit Center 9749 is at 6.325448 -2.451287 2.778326 ESP Fit Center 9750 is at 6.643426 -2.184473 2.778326 ESP Fit Center 9751 is at 6.850970 -1.824995 2.778326 ESP Fit Center 9752 is at 7.286599 -1.416211 2.589950 ESP Fit Center 9753 is at 5.205853 -2.884962 2.589950 ESP Fit Center 9754 is at 5.621474 -2.971329 2.589950 ESP Fit Center 9755 is at 6.044984 -2.942360 2.589950 ESP Fit Center 9756 is at 6.444974 -2.800204 2.589950 ESP Fit Center 9757 is at 6.791778 -2.555403 2.589950 ESP Fit Center 9758 is at 7.059675 -2.226114 2.589950 ESP Fit Center 9759 is at 7.228796 -1.836757 2.589950 ESP Fit Center 9760 is at 5.421551 -3.284534 2.353826 ESP Fit Center 9761 is at 5.830346 -3.306698 2.353826 ESP Fit Center 9762 is at 6.234349 -3.240465 2.353826 ESP Fit Center 9763 is at 6.614668 -3.088932 2.353826 ESP Fit Center 9764 is at 6.953520 -2.859185 2.353826 ESP Fit Center 9765 is at 7.235061 -2.561966 2.353826 ESP Fit Center 9766 is at 7.446127 -2.211172 2.353826 ESP Fit Center 9767 is at 7.576847 -1.823207 2.353826 ESP Fit Center 9768 is at 5.415820 -3.586402 2.074352 ESP Fit Center 9769 is at 5.832171 -3.606236 2.074352 ESP Fit Center 9770 is at 6.244750 -3.546916 2.074352 ESP Fit Center 9771 is at 7.763301 -2.231084 2.074352 ESP Fit Center 9772 is at 7.880733 -1.831146 2.074352 ESP Fit Center 9773 is at 5.416538 -3.847269 1.756733 ESP Fit Center 9774 is at 5.831866 -3.864912 1.756733 ESP Fit Center 9775 is at 8.143502 -1.830417 1.756733 ESP Fit Center 9776 is at 5.727847 -4.079867 1.406887 ESP Fit Center 9777 is at 8.358708 -1.832899 1.406887 ESP Fit Center 9778 is at 5.727847 -4.079867 -1.353503 ESP Fit Center 9779 is at 8.358708 -1.832899 -1.353503 ESP Fit Center 9780 is at 5.831866 -3.864912 -1.703349 ESP Fit Center 9781 is at 8.143502 -1.830417 -1.703349 ESP Fit Center 9782 is at 5.832171 -3.606236 -2.020967 ESP Fit Center 9783 is at 6.244750 -3.546916 -2.020967 ESP Fit Center 9784 is at 7.763301 -2.231084 -2.020967 ESP Fit Center 9785 is at 7.880733 -1.831146 -2.020967 ESP Fit Center 9786 is at 7.621111 -1.416211 -2.300442 ESP Fit Center 9787 is at 5.421551 -3.284534 -2.300442 ESP Fit Center 9788 is at 5.830346 -3.306698 -2.300442 ESP Fit Center 9789 is at 6.234349 -3.240465 -2.300442 ESP Fit Center 9790 is at 6.614668 -3.088932 -2.300442 ESP Fit Center 9791 is at 6.953520 -2.859185 -2.300442 ESP Fit Center 9792 is at 7.235061 -2.561966 -2.300442 ESP Fit Center 9793 is at 7.446127 -2.211172 -2.300442 ESP Fit Center 9794 is at 7.576847 -1.823207 -2.300442 ESP Fit Center 9795 is at 7.286599 -1.416211 -2.536566 ESP Fit Center 9796 is at 5.621474 -2.971329 -2.536566 ESP Fit Center 9797 is at 6.044984 -2.942360 -2.536566 ESP Fit Center 9798 is at 6.444974 -2.800204 -2.536566 ESP Fit Center 9799 is at 6.791778 -2.555403 -2.536566 ESP Fit Center 9800 is at 7.059675 -2.226114 -2.536566 ESP Fit Center 9801 is at 7.228796 -1.836757 -2.536566 ESP Fit Center 9802 is at 6.923050 -1.416211 -2.724942 ESP Fit Center 9803 is at 5.520302 -2.593257 -2.724942 ESP Fit Center 9804 is at 5.935392 -2.593257 -2.724942 ESP Fit Center 9805 is at 6.325448 -2.451287 -2.724942 ESP Fit Center 9806 is at 6.643426 -2.184473 -2.724942 ESP Fit Center 9807 is at 6.850970 -1.824995 -2.724942 ESP Fit Center 9808 is at 6.537237 -1.416211 -2.862060 ESP Fit Center 9809 is at 6.428799 -1.011516 -2.862060 ESP Fit Center 9810 is at 5.323152 -0.715258 -2.862060 ESP Fit Center 9811 is at 5.026894 -1.011516 -2.862060 ESP Fit Center 9812 is at 5.323152 -2.117164 -2.862060 ESP Fit Center 9813 is at 5.727847 -2.225601 -2.862060 ESP Fit Center 9814 is at 6.132542 -2.117164 -2.862060 ESP Fit Center 9815 is at 6.428799 -1.820906 -2.862060 ESP Fit Center 9816 is at 6.136347 -1.416211 -2.945366 ESP Fit Center 9817 is at 5.932097 -1.062440 -2.945366 ESP Fit Center 9818 is at 5.523597 -1.062440 -2.945366 ESP Fit Center 9819 is at 5.319347 -1.416211 -2.945366 ESP Fit Center 9820 is at 5.523597 -1.769982 -2.945366 ESP Fit Center 9821 is at 5.932097 -1.769982 -2.945366 ESP Fit Center 9822 is at 5.727847 -1.416211 -2.973308 ESP Fit Center 9823 is at 6.176680 -0.163649 3.067181 ESP Fit Center 9824 is at 6.585180 -0.163649 3.039239 ESP Fit Center 9825 is at 6.380930 0.190123 3.039239 ESP Fit Center 9826 is at 5.972430 0.190123 3.039239 ESP Fit Center 9827 is at 5.768180 -0.163649 3.039239 ESP Fit Center 9828 is at 5.972430 -0.517420 3.039239 ESP Fit Center 9829 is at 6.380930 -0.517420 3.039239 ESP Fit Center 9830 is at 6.986071 -0.163649 2.955933 ESP Fit Center 9831 is at 6.877633 0.241046 2.955933 ESP Fit Center 9832 is at 6.581375 0.537304 2.955933 ESP Fit Center 9833 is at 6.176680 0.645741 2.955933 ESP Fit Center 9834 is at 5.367290 -0.163649 2.955933 ESP Fit Center 9835 is at 5.475728 -0.568344 2.955933 ESP Fit Center 9836 is at 6.581375 -0.864601 2.955933 ESP Fit Center 9837 is at 6.877633 -0.568344 2.955933 ESP Fit Center 9838 is at 7.371884 -0.163649 2.818815 ESP Fit Center 9839 is at 7.299804 0.245135 2.818815 ESP Fit Center 9840 is at 7.092259 0.604613 2.818815 ESP Fit Center 9841 is at 6.774282 0.871428 2.818815 ESP Fit Center 9842 is at 7.092259 -0.931911 2.818815 ESP Fit Center 9843 is at 7.299804 -0.572432 2.818815 ESP Fit Center 9844 is at 7.735432 -0.163649 2.630439 ESP Fit Center 9845 is at 7.677629 0.256897 2.630439 ESP Fit Center 9846 is at 7.508508 0.646254 2.630439 ESP Fit Center 9847 is at 7.240611 0.975543 2.630439 ESP Fit Center 9848 is at 6.893808 1.220344 2.630439 ESP Fit Center 9849 is at 7.240611 -1.302841 2.630439 ESP Fit Center 9850 is at 7.508508 -0.973551 2.630439 ESP Fit Center 9851 is at 7.677629 -0.584195 2.630439 ESP Fit Center 9852 is at 8.069944 -0.163649 2.394315 ESP Fit Center 9853 is at 8.025681 0.243347 2.394315 ESP Fit Center 9854 is at 7.894960 0.631312 2.394315 ESP Fit Center 9855 is at 7.683894 0.982106 2.394315 ESP Fit Center 9856 is at 7.402353 1.279325 2.394315 ESP Fit Center 9857 is at 7.063501 1.509073 2.394315 ESP Fit Center 9858 is at 7.683894 -1.309403 2.394315 ESP Fit Center 9859 is at 7.894960 -0.958610 2.394315 ESP Fit Center 9860 is at 8.025681 -0.570645 2.394315 ESP Fit Center 9861 is at 7.763473 1.349355 2.114840 ESP Fit Center 9862 is at 7.448460 1.622315 2.114840 ESP Fit Center 9863 is at 8.021135 -1.349008 2.114840 ESP Fit Center 9864 is at 8.212134 -0.978522 2.114840 ESP Fit Center 9865 is at 7.795934 1.676181 1.797222 ESP Fit Center 9866 is at 8.316359 -1.358945 1.797222 ESP Fit Center 9867 is at 7.742338 1.991294 1.447376 ESP Fit Center 9868 is at 7.742338 1.991294 -1.313014 ESP Fit Center 9869 is at 7.795934 1.676181 -1.662860 ESP Fit Center 9870 is at 8.316359 -1.358945 -1.662860 ESP Fit Center 9871 is at 8.021135 1.021710 -1.980479 ESP Fit Center 9872 is at 7.763473 1.349355 -1.980479 ESP Fit Center 9873 is at 7.448460 1.622315 -1.980479 ESP Fit Center 9874 is at 8.021135 -1.349008 -1.980479 ESP Fit Center 9875 is at 8.212134 -0.978522 -1.980479 ESP Fit Center 9876 is at 8.329567 -0.578584 -1.980479 ESP Fit Center 9877 is at 8.069944 -0.163649 -2.259953 ESP Fit Center 9878 is at 8.025681 0.243347 -2.259953 ESP Fit Center 9879 is at 7.894960 0.631312 -2.259953 ESP Fit Center 9880 is at 7.683894 0.982106 -2.259953 ESP Fit Center 9881 is at 7.402353 1.279325 -2.259953 ESP Fit Center 9882 is at 7.063501 1.509073 -2.259953 ESP Fit Center 9883 is at 7.683894 -1.309403 -2.259953 ESP Fit Center 9884 is at 7.894960 -0.958610 -2.259953 ESP Fit Center 9885 is at 8.025681 -0.570645 -2.259953 ESP Fit Center 9886 is at 7.735432 -0.163649 -2.496077 ESP Fit Center 9887 is at 7.677629 0.256897 -2.496077 ESP Fit Center 9888 is at 7.508508 0.646254 -2.496077 ESP Fit Center 9889 is at 7.240611 0.975543 -2.496077 ESP Fit Center 9890 is at 6.893808 1.220344 -2.496077 ESP Fit Center 9891 is at 7.508508 -0.973551 -2.496077 ESP Fit Center 9892 is at 7.677629 -0.584195 -2.496077 ESP Fit Center 9893 is at 7.371884 -0.163649 -2.684453 ESP Fit Center 9894 is at 7.299804 0.245135 -2.684453 ESP Fit Center 9895 is at 7.092259 0.604613 -2.684453 ESP Fit Center 9896 is at 6.774282 0.871428 -2.684453 ESP Fit Center 9897 is at 7.092259 -0.931911 -2.684453 ESP Fit Center 9898 is at 7.299804 -0.572432 -2.684453 ESP Fit Center 9899 is at 6.986071 -0.163649 -2.821571 ESP Fit Center 9900 is at 6.877633 0.241046 -2.821571 ESP Fit Center 9901 is at 6.581375 0.537304 -2.821571 ESP Fit Center 9902 is at 6.176680 0.645741 -2.821571 ESP Fit Center 9903 is at 5.367290 -0.163649 -2.821571 ESP Fit Center 9904 is at 6.581375 -0.864601 -2.821571 ESP Fit Center 9905 is at 6.877633 -0.568344 -2.821571 ESP Fit Center 9906 is at 6.585180 -0.163649 -2.904877 ESP Fit Center 9907 is at 6.380930 0.190123 -2.904877 ESP Fit Center 9908 is at 5.972430 0.190123 -2.904877 ESP Fit Center 9909 is at 5.768180 -0.163649 -2.904877 ESP Fit Center 9910 is at 5.972430 -0.517420 -2.904877 ESP Fit Center 9911 is at 6.380930 -0.517420 -2.904877 ESP Fit Center 9912 is at 6.176680 -0.163649 -2.932819 ESP Fit Center 9913 is at 5.230896 0.950773 3.077985 ESP Fit Center 9914 is at 5.639396 0.950773 3.050043 ESP Fit Center 9915 is at 5.435146 1.304545 3.050043 ESP Fit Center 9916 is at 5.026646 1.304545 3.050043 ESP Fit Center 9917 is at 4.822396 0.950773 3.050043 ESP Fit Center 9918 is at 5.026646 0.597002 3.050043 ESP Fit Center 9919 is at 5.435146 0.597002 3.050043 ESP Fit Center 9920 is at 6.040286 0.950773 2.966737 ESP Fit Center 9921 is at 5.931849 1.355468 2.966737 ESP Fit Center 9922 is at 5.635591 1.651726 2.966737 ESP Fit Center 9923 is at 5.230896 1.760164 2.966737 ESP Fit Center 9924 is at 4.826201 1.651726 2.966737 ESP Fit Center 9925 is at 4.529944 1.355468 2.966737 ESP Fit Center 9926 is at 4.826201 0.249821 2.966737 ESP Fit Center 9927 is at 5.230896 0.141383 2.966737 ESP Fit Center 9928 is at 6.354020 1.359557 2.829619 ESP Fit Center 9929 is at 6.146475 1.719035 2.829619 ESP Fit Center 9930 is at 5.828498 1.985850 2.829619 ESP Fit Center 9931 is at 5.438441 2.127819 2.829619 ESP Fit Center 9932 is at 5.023351 2.127819 2.829619 ESP Fit Center 9933 is at 4.633295 1.985850 2.829619 ESP Fit Center 9934 is at 6.731845 1.371320 2.641244 ESP Fit Center 9935 is at 6.562724 1.760676 2.641244 ESP Fit Center 9936 is at 6.294827 2.089965 2.641244 ESP Fit Center 9937 is at 5.948023 2.334766 2.641244 ESP Fit Center 9938 is at 5.548034 2.476922 2.641244 ESP Fit Center 9939 is at 5.124523 2.505891 2.641244 ESP Fit Center 9940 is at 4.708902 2.419524 2.641244 ESP Fit Center 9941 is at 4.331995 2.224227 2.641244 ESP Fit Center 9942 is at 6.949176 1.745734 2.405119 ESP Fit Center 9943 is at 6.738110 2.096528 2.405119 ESP Fit Center 9944 is at 6.456569 2.393747 2.405119 ESP Fit Center 9945 is at 6.117717 2.623495 2.405119 ESP Fit Center 9946 is at 5.737398 2.775028 2.405119 ESP Fit Center 9947 is at 5.333395 2.841261 2.405119 ESP Fit Center 9948 is at 4.924600 2.819096 2.405119 ESP Fit Center 9949 is at 4.530127 2.709571 2.405119 ESP Fit Center 9950 is at 7.266350 1.765646 2.125645 ESP Fit Center 9951 is at 7.075351 2.136133 2.125645 ESP Fit Center 9952 is at 6.817689 2.463777 2.125645 ESP Fit Center 9953 is at 4.918870 3.120965 2.125645 ESP Fit Center 9954 is at 4.513797 3.022695 2.125645 ESP Fit Center 9955 is at 7.370575 2.146070 1.808026 ESP Fit Center 9956 is at 4.513214 3.294252 1.808026 ESP Fit Center 9957 is at 4.127487 3.139254 1.808026 ESP Fit Center 9958 is at 7.604231 2.160048 1.458180 ESP Fit Center 9959 is at 7.604231 2.160048 -1.302210 ESP Fit Center 9960 is at 7.370575 2.146070 -1.652056 ESP Fit Center 9961 is at 7.137792 2.490484 -1.652056 ESP Fit Center 9962 is at 4.513214 3.294252 -1.652056 ESP Fit Center 9963 is at 7.266350 1.765646 -1.969674 ESP Fit Center 9964 is at 7.075351 2.136133 -1.969674 ESP Fit Center 9965 is at 6.817689 2.463777 -1.969674 ESP Fit Center 9966 is at 6.502676 2.736738 -1.969674 ESP Fit Center 9967 is at 5.335220 3.140798 -1.969674 ESP Fit Center 9968 is at 4.918870 3.120965 -1.969674 ESP Fit Center 9969 is at 4.513797 3.022695 -1.969674 ESP Fit Center 9970 is at 6.949176 1.745734 -2.249149 ESP Fit Center 9971 is at 6.738110 2.096528 -2.249149 ESP Fit Center 9972 is at 6.456569 2.393747 -2.249149 ESP Fit Center 9973 is at 6.117717 2.623495 -2.249149 ESP Fit Center 9974 is at 5.737398 2.775028 -2.249149 ESP Fit Center 9975 is at 5.333395 2.841261 -2.249149 ESP Fit Center 9976 is at 4.924600 2.819096 -2.249149 ESP Fit Center 9977 is at 4.530127 2.709571 -2.249149 ESP Fit Center 9978 is at 6.731845 1.371320 -2.485273 ESP Fit Center 9979 is at 6.562724 1.760676 -2.485273 ESP Fit Center 9980 is at 6.294827 2.089965 -2.485273 ESP Fit Center 9981 is at 5.948023 2.334766 -2.485273 ESP Fit Center 9982 is at 5.548034 2.476922 -2.485273 ESP Fit Center 9983 is at 5.124523 2.505891 -2.485273 ESP Fit Center 9984 is at 4.708902 2.419524 -2.485273 ESP Fit Center 9985 is at 6.354020 1.359557 -2.673649 ESP Fit Center 9986 is at 6.146475 1.719035 -2.673649 ESP Fit Center 9987 is at 5.828498 1.985850 -2.673649 ESP Fit Center 9988 is at 5.438441 2.127819 -2.673649 ESP Fit Center 9989 is at 5.023351 2.127819 -2.673649 ESP Fit Center 9990 is at 4.633295 1.985850 -2.673649 ESP Fit Center 9991 is at 6.040286 0.950773 -2.810767 ESP Fit Center 9992 is at 5.931849 1.355468 -2.810767 ESP Fit Center 9993 is at 5.635591 1.651726 -2.810767 ESP Fit Center 9994 is at 5.230896 1.760164 -2.810767 ESP Fit Center 9995 is at 4.826201 1.651726 -2.810767 ESP Fit Center 9996 is at 4.826201 0.249821 -2.810767 ESP Fit Center 9997 is at 5.230896 0.141383 -2.810767 ESP Fit Center 9998 is at 5.639396 0.950773 -2.894073 ESP Fit Center 9999 is at 5.435146 1.304545 -2.894073 ESP Fit Center **** is at 5.026646 1.304545 -2.894073 ESP Fit Center **** is at 4.822396 0.950773 -2.894073 ESP Fit Center **** is at 5.026646 0.597002 -2.894073 ESP Fit Center **** is at 5.435146 0.597002 -2.894073 ESP Fit Center **** is at 5.230896 0.950773 -2.922015 ESP Fit Center **** is at 3.920867 0.714642 3.046180 ESP Fit Center **** is at 4.329367 0.714642 3.018238 ESP Fit Center **** is at 4.125117 1.068413 3.018238 ESP Fit Center **** is at 3.716617 1.068413 3.018238 ESP Fit Center **** is at 3.512367 0.714642 3.018238 ESP Fit Center **** is at 3.716617 0.360871 3.018238 ESP Fit Center **** is at 4.125117 0.360871 3.018238 ESP Fit Center **** is at 4.325562 1.415594 2.934932 ESP Fit Center **** is at 3.920867 1.524032 2.934932 ESP Fit Center **** is at 3.516172 1.415594 2.934932 ESP Fit Center **** is at 3.219914 1.119337 2.934932 ESP Fit Center **** is at 3.111477 0.714642 2.934932 ESP Fit Center **** is at 3.219914 0.309947 2.934932 ESP Fit Center **** is at 3.516172 0.013689 2.934932 ESP Fit Center **** is at 3.920867 -0.094748 2.934932 ESP Fit Center **** is at 4.325562 0.013689 2.934932 ESP Fit Center **** is at 4.128412 1.891687 2.797814 ESP Fit Center **** is at 3.713322 1.891687 2.797814 ESP Fit Center **** is at 3.323265 1.749718 2.797814 ESP Fit Center **** is at 3.005288 1.482904 2.797814 ESP Fit Center **** is at 2.797743 1.123426 2.797814 ESP Fit Center **** is at 2.725664 0.714642 2.797814 ESP Fit Center **** is at 2.797743 0.305858 2.797814 ESP Fit Center **** is at 4.518469 -0.320434 2.797814 ESP Fit Center **** is at 4.238004 2.240791 2.609438 ESP Fit Center **** is at 3.814494 2.269760 2.609438 ESP Fit Center **** is at 3.398873 2.183393 2.609438 ESP Fit Center **** is at 4.023366 2.605129 2.373314 ESP Fit Center **** is at 3.614571 2.582965 2.373314 ESP Fit Center **** is at 4.025191 2.904666 2.093839 ESP Fit Center **** is at 3.608841 2.884833 2.093839 ESP Fit Center **** is at 4.024887 3.163343 1.776221 ESP Fit Center **** is at 3.920867 3.378298 1.426375 ESP Fit Center **** is at 3.920867 3.378298 -1.334015 ESP Fit Center **** is at 4.024887 3.163343 -1.683861 ESP Fit Center **** is at 3.609558 3.145700 -1.683861 ESP Fit Center **** is at 4.025191 2.904666 -2.001480 ESP Fit Center **** is at 3.608841 2.884833 -2.001480 ESP Fit Center **** is at 4.023366 2.605129 -2.280954 ESP Fit Center **** is at 3.614571 2.582965 -2.280954 ESP Fit Center **** is at 4.238004 2.240791 -2.517078 ESP Fit Center **** is at 3.814494 2.269760 -2.517078 ESP Fit Center **** is at 3.398873 2.183393 -2.517078 ESP Fit Center **** is at 4.128412 1.891687 -2.705454 ESP Fit Center **** is at 3.713322 1.891687 -2.705454 ESP Fit Center **** is at 3.323265 1.749718 -2.705454 ESP Fit Center **** is at 3.005288 1.482904 -2.705454 ESP Fit Center **** is at 2.797743 1.123426 -2.705454 ESP Fit Center **** is at 2.725664 0.714642 -2.705454 ESP Fit Center **** is at 4.325562 1.415594 -2.842572 ESP Fit Center **** is at 3.920867 1.524032 -2.842572 ESP Fit Center **** is at 3.516172 1.415594 -2.842572 ESP Fit Center **** is at 3.219914 1.119337 -2.842572 ESP Fit Center **** is at 3.111477 0.714642 -2.842572 ESP Fit Center **** is at 3.219914 0.309947 -2.842572 ESP Fit Center **** is at 4.325562 0.013689 -2.842572 ESP Fit Center **** is at 4.621820 0.309947 -2.842572 ESP Fit Center **** is at 4.329367 0.714642 -2.925878 ESP Fit Center **** is at 4.125117 1.068413 -2.925878 ESP Fit Center **** is at 3.716617 1.068413 -2.925878 ESP Fit Center **** is at 3.512367 0.714642 -2.925878 ESP Fit Center **** is at 3.716617 0.360871 -2.925878 ESP Fit Center **** is at 4.125117 0.360871 -2.925878 ESP Fit Center **** is at 3.920867 0.714642 -2.953820 ESP Fit Center **** is at 3.335286 -3.717966 2.036619 ESP Fit Center **** is at 3.726909 -3.860505 2.036619 ESP Fit Center **** is at 3.045647 -3.939067 1.796665 ESP Fit Center **** is at 3.418671 -4.132353 1.796665 ESP Fit Center **** is at 3.830009 -4.217830 1.796665 ESP Fit Center **** is at 4.249156 -4.189159 1.796665 ESP Fit Center **** is at 4.645024 -4.048468 1.796665 ESP Fit Center **** is at 3.016033 -4.270929 1.500848 ESP Fit Center **** is at 3.407997 -4.440006 1.500848 ESP Fit Center **** is at 3.828387 -4.514132 1.500848 ESP Fit Center **** is at 4.254540 -4.489312 1.500848 ESP Fit Center **** is at 4.663482 -4.366882 1.500848 ESP Fit Center **** is at 3.019944 -4.544788 1.158158 ESP Fit Center **** is at 3.414315 -4.690846 1.158158 ESP Fit Center **** is at 3.830014 -4.754529 1.158158 ESP Fit Center **** is at 4.250023 -4.733229 1.158158 ESP Fit Center **** is at 4.657147 -4.627817 1.158158 ESP Fit Center **** is at 5.034717 -4.442610 1.158158 ESP Fit Center **** is at 2.807655 -4.631850 0.779006 ESP Fit Center **** is at 3.197662 -4.809961 0.779006 ESP Fit Center **** is at 3.614329 -4.911043 0.779006 ESP Fit Center **** is at 4.042596 -4.931444 0.779006 ESP Fit Center **** is at 4.466985 -4.870426 0.779006 ESP Fit Center **** is at 4.872156 -4.730195 0.779006 ESP Fit Center **** is at 5.243467 -4.515818 0.779006 ESP Fit Center **** is at 3.006356 -4.852075 0.374913 ESP Fit Center **** is at 3.409350 -4.983016 0.374913 ESP Fit Center **** is at 3.829247 -5.039895 0.374913 ESP Fit Center **** is at 4.252552 -5.020884 0.374913 ESP Fit Center **** is at 4.665660 -4.926595 0.374913 ESP Fit Center **** is at 5.055293 -4.760057 0.374913 ESP Fit Center **** is at 5.408929 -4.526625 0.374913 ESP Fit Center **** is at 2.735286 -4.757197 -0.041842 ESP Fit Center **** is at 3.114438 -4.933998 -0.041842 ESP Fit Center **** is at 3.518531 -5.042275 -0.041842 ESP Fit Center **** is at 3.935286 -5.078736 -0.041842 ESP Fit Center **** is at 4.352042 -5.042275 -0.041842 ESP Fit Center **** is at 4.756135 -4.933998 -0.041842 ESP Fit Center **** is at 5.135286 -4.757197 -0.041842 ESP Fit Center **** is at 5.477977 -4.517243 -0.041842 ESP Fit Center **** is at 3.006356 -4.852075 -0.458598 ESP Fit Center **** is at 3.409350 -4.983016 -0.458598 ESP Fit Center **** is at 3.829247 -5.039895 -0.458598 ESP Fit Center **** is at 4.252552 -5.020884 -0.458598 ESP Fit Center **** is at 4.665660 -4.926595 -0.458598 ESP Fit Center **** is at 5.055293 -4.760057 -0.458598 ESP Fit Center **** is at 5.408929 -4.526625 -0.458598 ESP Fit Center **** is at 2.807655 -4.631850 -0.862690 ESP Fit Center **** is at 3.197662 -4.809961 -0.862690 ESP Fit Center **** is at 3.614329 -4.911043 -0.862690 ESP Fit Center **** is at 4.042596 -4.931444 -0.862690 ESP Fit Center **** is at 4.466985 -4.870426 -0.862690 ESP Fit Center **** is at 4.872156 -4.730195 -0.862690 ESP Fit Center **** is at 5.243467 -4.515818 -0.862690 ESP Fit Center **** is at 3.019944 -4.544788 -1.241842 ESP Fit Center **** is at 3.414315 -4.690846 -1.241842 ESP Fit Center **** is at 3.830014 -4.754529 -1.241842 ESP Fit Center **** is at 4.250023 -4.733229 -1.241842 ESP Fit Center **** is at 4.657147 -4.627817 -1.241842 ESP Fit Center **** is at 5.034717 -4.442610 -1.241842 ESP Fit Center **** is at 3.016033 -4.270929 -1.584532 ESP Fit Center **** is at 3.407997 -4.440006 -1.584532 ESP Fit Center **** is at 3.828387 -4.514132 -1.584532 ESP Fit Center **** is at 4.254540 -4.489312 -1.584532 ESP Fit Center **** is at 4.663482 -4.366882 -1.584532 ESP Fit Center **** is at 5.033166 -4.153445 -1.584532 ESP Fit Center **** is at 3.045647 -3.939067 -1.880349 ESP Fit Center **** is at 3.418671 -4.132353 -1.880349 ESP Fit Center **** is at 3.830009 -4.217830 -1.880349 ESP Fit Center **** is at 4.249156 -4.189159 -1.880349 ESP Fit Center **** is at 4.645024 -4.048468 -1.880349 ESP Fit Center **** is at 3.016033 -3.450081 -2.120303 ESP Fit Center **** is at 3.335286 -3.717966 -2.120303 ESP Fit Center **** is at 3.726909 -3.860505 -2.120303 ESP Fit Center **** is at 4.143664 -3.860505 -2.120303 ESP Fit Center **** is at 6.622643 -3.406571 2.097103 ESP Fit Center **** is at 7.014266 -3.264032 2.097103 ESP Fit Center **** is at 7.333519 -2.996147 2.097103 ESP Fit Center **** is at 7.541897 -2.635226 2.097103 ESP Fit Center **** is at 6.308989 -3.763895 1.857148 ESP Fit Center **** is at 6.728135 -3.735225 1.857148 ESP Fit Center **** is at 7.124003 -3.594533 1.857148 ESP Fit Center **** is at 7.467234 -3.352255 1.857148 ESP Fit Center **** is at 7.732370 -3.026359 1.857148 ESP Fit Center **** is at 7.899749 -2.641014 1.857148 ESP Fit Center **** is at 8.252772 -2.224801 1.561332 ESP Fit Center **** is at 6.307366 -4.060198 1.561332 ESP Fit Center **** is at 6.733519 -4.035377 1.561332 ESP Fit Center **** is at 7.142461 -3.912948 1.561332 ESP Fit Center **** is at 7.512146 -3.699510 1.561332 ESP Fit Center **** is at 7.822643 -3.406571 1.561332 ESP Fit Center **** is at 8.057215 -3.049922 1.561332 ESP Fit Center **** is at 8.203215 -2.648790 1.561332 ESP Fit Center **** is at 8.492727 -2.224801 1.218642 ESP Fit Center **** is at 5.893294 -4.236912 1.218642 ESP Fit Center **** is at 6.308993 -4.300595 1.218642 ESP Fit Center **** is at 6.729002 -4.279294 1.218642 ESP Fit Center **** is at 7.136126 -4.173883 1.218642 ESP Fit Center **** is at 7.513697 -3.988675 1.218642 ESP Fit Center **** is at 7.846256 -3.731255 1.218642 ESP Fit Center **** is at 8.120190 -3.412160 1.218642 ESP Fit Center **** is at 8.324284 -3.044455 1.218642 ESP Fit Center **** is at 8.450180 -2.643193 1.218642 ESP Fit Center **** is at 8.669528 -2.224801 0.839490 ESP Fit Center **** is at 8.628772 -1.797990 0.839490 ESP Fit Center **** is at 5.676642 -4.356026 0.839490 ESP Fit Center **** is at 6.093308 -4.457108 0.839490 ESP Fit Center **** is at 6.521575 -4.477509 0.839490 ESP Fit Center **** is at 6.945964 -4.416491 0.839490 ESP Fit Center **** is at 7.351135 -4.276260 0.839490 ESP Fit Center **** is at 7.722446 -4.061884 0.839490 ESP Fit Center **** is at 8.046476 -3.781111 0.839490 ESP Fit Center **** is at 8.311513 -3.444088 0.839490 ESP Fit Center **** is at 8.507979 -3.062998 0.839490 ESP Fit Center **** is at 8.628772 -2.651613 0.839490 ESP Fit Center **** is at 8.777804 -2.224801 0.435397 ESP Fit Center **** is at 8.739821 -1.802775 0.435397 ESP Fit Center **** is at 5.888329 -4.529081 0.435397 ESP Fit Center **** is at 6.308226 -4.585960 0.435397 ESP Fit Center **** is at 6.731531 -4.566949 0.435397 ESP Fit Center **** is at 7.144639 -4.472660 0.435397 ESP Fit Center **** is at 7.534272 -4.306123 0.435397 ESP Fit Center **** is at 7.887908 -4.072690 0.435397 ESP Fit Center **** is at 8.194179 -3.779865 0.435397 ESP Fit Center **** is at 8.443242 -3.437059 0.435397 ESP Fit Center **** is at 8.627093 -3.055289 0.435397 ESP Fit Center **** is at 8.739821 -2.646828 0.435397 ESP Fit Center **** is at 8.814266 -2.224801 0.018642 ESP Fit Center **** is at 8.777804 -1.808046 0.018642 ESP Fit Center **** is at 5.593417 -4.480064 0.018642 ESP Fit Center **** is at 5.997510 -4.588340 0.018642 ESP Fit Center **** is at 6.414266 -4.624801 0.018642 ESP Fit Center **** is at 6.831021 -4.588340 0.018642 ESP Fit Center **** is at 7.235114 -4.480064 0.018642 ESP Fit Center **** is at 7.614266 -4.303262 0.018642 ESP Fit Center **** is at 7.956956 -4.063308 0.018642 ESP Fit Center **** is at 8.252772 -3.767492 0.018642 ESP Fit Center **** is at 8.492727 -3.424801 0.018642 ESP Fit Center **** is at 8.669528 -3.045650 0.018642 ESP Fit Center **** is at 8.777804 -2.641557 0.018642 ESP Fit Center **** is at 8.777804 -2.224801 -0.398114 ESP Fit Center **** is at 8.739821 -1.802775 -0.398114 ESP Fit Center **** is at 5.888329 -4.529081 -0.398114 ESP Fit Center **** is at 6.308226 -4.585960 -0.398114 ESP Fit Center **** is at 6.731531 -4.566949 -0.398114 ESP Fit Center **** is at 7.144639 -4.472660 -0.398114 ESP Fit Center **** is at 7.534272 -4.306123 -0.398114 ESP Fit Center **** is at 7.887908 -4.072690 -0.398114 ESP Fit Center **** is at 8.194179 -3.779865 -0.398114 ESP Fit Center **** is at 8.443242 -3.437059 -0.398114 ESP Fit Center **** is at 8.627093 -3.055289 -0.398114 ESP Fit Center **** is at 8.739821 -2.646828 -0.398114 ESP Fit Center **** is at 8.669528 -2.224801 -0.802207 ESP Fit Center **** is at 8.628772 -1.797990 -0.802207 ESP Fit Center **** is at 5.676642 -4.356026 -0.802207 ESP Fit Center **** is at 6.093308 -4.457108 -0.802207 ESP Fit Center **** is at 6.521575 -4.477509 -0.802207 ESP Fit Center **** is at 6.945964 -4.416491 -0.802207 ESP Fit Center **** is at 7.351135 -4.276260 -0.802207 ESP Fit Center **** is at 7.722446 -4.061884 -0.802207 ESP Fit Center **** is at 8.046476 -3.781111 -0.802207 ESP Fit Center **** is at 8.311513 -3.444088 -0.802207 ESP Fit Center **** is at 8.507979 -3.062998 -0.802207 ESP Fit Center **** is at 8.628772 -2.651613 -0.802207 ESP Fit Center **** is at 8.492727 -2.224801 -1.181358 ESP Fit Center **** is at 8.450180 -1.806410 -1.181358 ESP Fit Center **** is at 5.893294 -4.236912 -1.181358 ESP Fit Center **** is at 6.308993 -4.300595 -1.181358 ESP Fit Center **** is at 6.729002 -4.279294 -1.181358 ESP Fit Center **** is at 7.136126 -4.173883 -1.181358 ESP Fit Center **** is at 7.513697 -3.988675 -1.181358 ESP Fit Center **** is at 7.846256 -3.731255 -1.181358 ESP Fit Center **** is at 8.120190 -3.412160 -1.181358 ESP Fit Center **** is at 8.324284 -3.044455 -1.181358 ESP Fit Center **** is at 8.450180 -2.643193 -1.181358 ESP Fit Center **** is at 8.252772 -2.224801 -1.524049 ESP Fit Center **** is at 5.886976 -3.986072 -1.524049 ESP Fit Center **** is at 6.307366 -4.060198 -1.524049 ESP Fit Center **** is at 6.733519 -4.035377 -1.524049 ESP Fit Center **** is at 7.142461 -3.912948 -1.524049 ESP Fit Center **** is at 7.512146 -3.699510 -1.524049 ESP Fit Center **** is at 7.822643 -3.406571 -1.524049 ESP Fit Center **** is at 8.057215 -3.049922 -1.524049 ESP Fit Center **** is at 8.203215 -2.648790 -1.524049 ESP Fit Center **** is at 7.956956 -2.224801 -1.819865 ESP Fit Center **** is at 6.308989 -3.763895 -1.819865 ESP Fit Center **** is at 6.728135 -3.735225 -1.819865 ESP Fit Center **** is at 7.124003 -3.594533 -1.819865 ESP Fit Center **** is at 7.467234 -3.352255 -1.819865 ESP Fit Center **** is at 7.732370 -3.026359 -1.819865 ESP Fit Center **** is at 7.899749 -2.641014 -1.819865 ESP Fit Center **** is at 6.622643 -3.406571 -2.059819 ESP Fit Center **** is at 7.014266 -3.264032 -2.059819 ESP Fit Center **** is at 7.333519 -2.996147 -2.059819 ESP Fit Center **** is at 7.541897 -2.635226 -2.059819 ESP Fit Center **** is at 8.420109 0.024744 2.171602 ESP Fit Center **** is at 8.347740 0.435169 2.171602 ESP Fit Center **** is at 8.139362 0.796090 2.171602 ESP Fit Center **** is at 8.347740 -0.385680 2.171602 ESP Fit Center **** is at 8.762799 0.024744 1.931647 ESP Fit Center **** is at 8.705592 0.440957 1.931647 ESP Fit Center **** is at 8.538213 0.826302 1.931647 ESP Fit Center **** is at 8.273077 1.152198 1.931647 ESP Fit Center **** is at 8.538213 -0.776813 1.931647 ESP Fit Center **** is at 8.705592 -0.391468 1.931647 ESP Fit Center **** is at 9.058615 0.024744 1.635831 ESP Fit Center **** is at 9.009058 0.448733 1.635831 ESP Fit Center **** is at 8.863058 0.849865 1.635831 ESP Fit Center **** is at 8.628487 1.206514 1.635831 ESP Fit Center **** is at 8.317989 1.499453 1.635831 ESP Fit Center **** is at 7.948304 1.712891 1.635831 ESP Fit Center **** is at 8.628487 -1.157025 1.635831 ESP Fit Center **** is at 8.863058 -0.800376 1.635831 ESP Fit Center **** is at 9.009058 -0.399244 1.635831 ESP Fit Center **** is at 9.298570 0.024744 1.293141 ESP Fit Center **** is at 9.256024 0.443136 1.293141 ESP Fit Center **** is at 9.130127 0.844398 1.293141 ESP Fit Center **** is at 8.926034 1.212103 1.293141 ESP Fit Center **** is at 8.652100 1.531198 1.293141 ESP Fit Center **** is at 8.319540 1.788618 1.293141 ESP Fit Center **** is at 7.941969 1.973826 1.293141 ESP Fit Center **** is at 8.652100 -1.481709 1.293141 ESP Fit Center **** is at 8.926034 -1.162614 1.293141 ESP Fit Center **** is at 9.130127 -0.794909 1.293141 ESP Fit Center **** is at 9.256024 -0.393647 1.293141 ESP Fit Center **** is at 9.475371 0.024744 0.913989 ESP Fit Center **** is at 9.434616 0.451556 0.913989 ESP Fit Center **** is at 9.313822 0.862941 0.913989 ESP Fit Center **** is at 9.117356 1.244031 0.913989 ESP Fit Center **** is at 8.852319 1.581054 0.913989 ESP Fit Center **** is at 8.528289 1.861827 0.913989 ESP Fit Center **** is at 8.156979 2.076203 0.913989 ESP Fit Center **** is at 8.852319 -1.531565 0.913989 ESP Fit Center **** is at 9.117356 -1.194542 0.913989 ESP Fit Center **** is at 9.313822 -0.813452 0.913989 ESP Fit Center **** is at 9.434616 -0.402067 0.913989 ESP Fit Center **** is at 9.583647 0.024744 0.509896 ESP Fit Center **** is at 9.545664 0.446771 0.509896 ESP Fit Center **** is at 9.432936 0.855232 0.509896 ESP Fit Center **** is at 9.249086 1.237002 0.509896 ESP Fit Center **** is at 9.000022 1.579808 0.509896 ESP Fit Center **** is at 8.693751 1.872633 0.509896 ESP Fit Center **** is at 8.340116 2.106066 0.509896 ESP Fit Center **** is at 7.950482 2.272603 0.509896 ESP Fit Center **** is at 9.000022 -1.530319 0.509896 ESP Fit Center **** is at 9.249086 -1.187513 0.509896 ESP Fit Center **** is at 9.432936 -0.805744 0.509896 ESP Fit Center **** is at 9.545664 -0.397282 0.509896 ESP Fit Center **** is at 9.620109 0.024744 0.093141 ESP Fit Center **** is at 9.583647 0.441500 0.093141 ESP Fit Center **** is at 9.475371 0.845593 0.093141 ESP Fit Center **** is at 9.298570 1.224744 0.093141 ESP Fit Center **** is at 9.058615 1.567435 0.093141 ESP Fit Center **** is at 8.762799 1.863251 0.093141 ESP Fit Center **** is at 8.420109 2.103205 0.093141 ESP Fit Center **** is at 8.040957 2.280007 0.093141 ESP Fit Center **** is at 9.058615 -1.517946 0.093141 ESP Fit Center **** is at 9.298570 -1.175256 0.093141 ESP Fit Center **** is at 9.475371 -0.796104 0.093141 ESP Fit Center **** is at 9.583647 -0.392011 0.093141 ESP Fit Center **** is at 9.583647 0.024744 -0.323615 ESP Fit Center **** is at 9.545664 0.446771 -0.323615 ESP Fit Center **** is at 9.432936 0.855232 -0.323615 ESP Fit Center **** is at 9.249086 1.237002 -0.323615 ESP Fit Center **** is at 9.000022 1.579808 -0.323615 ESP Fit Center **** is at 8.693751 1.872633 -0.323615 ESP Fit Center **** is at 8.340116 2.106066 -0.323615 ESP Fit Center **** is at 7.950482 2.272603 -0.323615 ESP Fit Center **** is at 9.000022 -1.530319 -0.323615 ESP Fit Center **** is at 9.249086 -1.187513 -0.323615 ESP Fit Center **** is at 9.432936 -0.805744 -0.323615 ESP Fit Center **** is at 9.545664 -0.397282 -0.323615 ESP Fit Center **** is at 9.475371 0.024744 -0.727708 ESP Fit Center **** is at 9.434616 0.451556 -0.727708 ESP Fit Center **** is at 9.313822 0.862941 -0.727708 ESP Fit Center **** is at 9.117356 1.244031 -0.727708 ESP Fit Center **** is at 8.852319 1.581054 -0.727708 ESP Fit Center **** is at 8.528289 1.861827 -0.727708 ESP Fit Center **** is at 8.156979 2.076203 -0.727708 ESP Fit Center **** is at 8.852319 -1.531565 -0.727708 ESP Fit Center **** is at 9.117356 -1.194542 -0.727708 ESP Fit Center **** is at 9.313822 -0.813452 -0.727708 ESP Fit Center **** is at 9.434616 -0.402067 -0.727708 ESP Fit Center **** is at 9.298570 0.024744 -1.106859 ESP Fit Center **** is at 9.256024 0.443136 -1.106859 ESP Fit Center **** is at 9.130127 0.844398 -1.106859 ESP Fit Center **** is at 8.926034 1.212103 -1.106859 ESP Fit Center **** is at 8.652100 1.531198 -1.106859 ESP Fit Center **** is at 8.319540 1.788618 -1.106859 ESP Fit Center **** is at 7.941969 1.973826 -1.106859 ESP Fit Center **** is at 8.652100 -1.481709 -1.106859 ESP Fit Center **** is at 8.926034 -1.162614 -1.106859 ESP Fit Center **** is at 9.130127 -0.794909 -1.106859 ESP Fit Center **** is at 9.256024 -0.393647 -1.106859 ESP Fit Center **** is at 9.058615 0.024744 -1.449549 ESP Fit Center **** is at 9.009058 0.448733 -1.449549 ESP Fit Center **** is at 8.863058 0.849865 -1.449549 ESP Fit Center **** is at 8.628487 1.206514 -1.449549 ESP Fit Center **** is at 8.317989 1.499453 -1.449549 ESP Fit Center **** is at 8.628487 -1.157025 -1.449549 ESP Fit Center **** is at 8.863058 -0.800376 -1.449549 ESP Fit Center **** is at 9.009058 -0.399244 -1.449549 ESP Fit Center **** is at 8.762799 0.024744 -1.745366 ESP Fit Center **** is at 8.705592 0.440957 -1.745366 ESP Fit Center **** is at 8.538213 0.826302 -1.745366 ESP Fit Center **** is at 8.273077 1.152198 -1.745366 ESP Fit Center **** is at 8.538213 -0.776813 -1.745366 ESP Fit Center **** is at 8.705592 -0.391468 -1.745366 ESP Fit Center **** is at 8.420109 0.024744 -1.985320 ESP Fit Center **** is at 8.347740 0.435169 -1.985320 ESP Fit Center **** is at 6.507740 2.720787 2.189548 ESP Fit Center **** is at 6.188487 2.988672 2.189548 ESP Fit Center **** is at 5.796865 3.131211 2.189548 ESP Fit Center **** is at 5.380109 3.131211 2.189548 ESP Fit Center **** is at 6.906591 2.750999 1.949594 ESP Fit Center **** is at 6.641455 3.076895 1.949594 ESP Fit Center **** is at 6.298225 3.319173 1.949594 ESP Fit Center **** is at 5.902356 3.459865 1.949594 ESP Fit Center **** is at 5.483210 3.488535 1.949594 ESP Fit Center **** is at 5.071871 3.403058 1.949594 ESP Fit Center **** is at 7.377436 2.373430 1.653778 ESP Fit Center **** is at 7.231436 2.774562 1.653778 ESP Fit Center **** is at 6.996865 3.131211 1.653778 ESP Fit Center **** is at 6.686367 3.424150 1.653778 ESP Fit Center **** is at 6.316682 3.637588 1.653778 ESP Fit Center **** is at 5.907740 3.760017 1.653778 ESP Fit Center **** is at 5.481587 3.784838 1.653778 ESP Fit Center **** is at 5.061197 3.710712 1.653778 ESP Fit Center **** is at 4.669234 3.541635 1.653778 ESP Fit Center **** is at 7.624402 2.367833 1.311088 ESP Fit Center **** is at 7.498505 2.769095 1.311088 ESP Fit Center **** is at 7.294412 3.136800 1.311088 ESP Fit Center **** is at 7.020478 3.455895 1.311088 ESP Fit Center **** is at 6.687918 3.713315 1.311088 ESP Fit Center **** is at 6.310347 3.898523 1.311088 ESP Fit Center **** is at 5.903224 4.003934 1.311088 ESP Fit Center **** is at 5.483215 4.025235 1.311088 ESP Fit Center **** is at 5.067515 3.961552 1.311088 ESP Fit Center **** is at 4.673145 3.815493 1.311088 ESP Fit Center **** is at 4.316248 3.593038 1.311088 ESP Fit Center **** is at 7.802994 2.376253 0.931936 ESP Fit Center **** is at 7.682200 2.787638 0.931936 ESP Fit Center **** is at 7.485734 3.168728 0.931936 ESP Fit Center **** is at 7.220697 3.505751 0.931936 ESP Fit Center **** is at 6.896667 3.786524 0.931936 ESP Fit Center **** is at 6.525357 4.000900 0.931936 ESP Fit Center **** is at 6.120185 4.141131 0.931936 ESP Fit Center **** is at 5.695797 4.202149 0.931936 ESP Fit Center **** is at 5.267530 4.181748 0.931936 ESP Fit Center **** is at 4.850863 4.080666 0.931936 ESP Fit Center **** is at 4.460856 3.902556 0.931936 ESP Fit Center **** is at 4.111604 3.653855 0.931936 ESP Fit Center **** is at 7.914042 2.371468 0.527843 ESP Fit Center **** is at 7.801314 2.779929 0.527843 ESP Fit Center **** is at 7.617464 3.161699 0.527843 ESP Fit Center **** is at 7.368400 3.504505 0.527843 ESP Fit Center **** is at 7.062129 3.797330 0.527843 ESP Fit Center **** is at 6.708494 4.030763 0.527843 ESP Fit Center **** is at 6.318860 4.197300 0.527843 ESP Fit Center **** is at 5.905752 4.291590 0.527843 ESP Fit Center **** is at 5.482447 4.310600 0.527843 ESP Fit Center **** is at 5.062550 4.253721 0.527843 ESP Fit Center **** is at 4.659557 4.122781 0.527843 ESP Fit Center **** is at 4.286421 3.921988 0.527843 ESP Fit Center **** is at 7.952025 2.366197 0.111088 ESP Fit Center **** is at 7.843749 2.770290 0.111088 ESP Fit Center **** is at 7.666948 3.149442 0.111088 ESP Fit Center **** is at 7.426994 3.492132 0.111088 ESP Fit Center **** is at 7.131177 3.787948 0.111088 ESP Fit Center **** is at 6.788487 4.027902 0.111088 ESP Fit Center **** is at 6.409335 4.204704 0.111088 ESP Fit Center **** is at 6.005243 4.312980 0.111088 ESP Fit Center **** is at 5.588487 4.349442 0.111088 ESP Fit Center **** is at 5.171731 4.312980 0.111088 ESP Fit Center **** is at 4.767639 4.204704 0.111088 ESP Fit Center **** is at 4.388487 4.027902 0.111088 ESP Fit Center **** is at 4.045797 3.787948 0.111088 ESP Fit Center **** is at 7.914042 2.371468 -0.305668 ESP Fit Center **** is at 7.801314 2.779929 -0.305668 ESP Fit Center **** is at 7.617464 3.161699 -0.305668 ESP Fit Center **** is at 7.368400 3.504505 -0.305668 ESP Fit Center **** is at 7.062129 3.797330 -0.305668 ESP Fit Center **** is at 6.708494 4.030763 -0.305668 ESP Fit Center **** is at 6.318860 4.197300 -0.305668 ESP Fit Center **** is at 5.905752 4.291590 -0.305668 ESP Fit Center **** is at 5.482447 4.310600 -0.305668 ESP Fit Center **** is at 5.062550 4.253721 -0.305668 ESP Fit Center **** is at 4.659557 4.122781 -0.305668 ESP Fit Center **** is at 4.286421 3.921988 -0.305668 ESP Fit Center **** is at 7.802994 2.376253 -0.709761 ESP Fit Center **** is at 7.682200 2.787638 -0.709761 ESP Fit Center **** is at 7.485734 3.168728 -0.709761 ESP Fit Center **** is at 7.220697 3.505751 -0.709761 ESP Fit Center **** is at 6.896667 3.786524 -0.709761 ESP Fit Center **** is at 6.525357 4.000900 -0.709761 ESP Fit Center **** is at 6.120185 4.141131 -0.709761 ESP Fit Center **** is at 5.695797 4.202149 -0.709761 ESP Fit Center **** is at 5.267530 4.181748 -0.709761 ESP Fit Center **** is at 4.850863 4.080666 -0.709761 ESP Fit Center **** is at 4.460856 3.902556 -0.709761 ESP Fit Center **** is at 4.111604 3.653855 -0.709761 ESP Fit Center **** is at 7.624402 2.367833 -1.088912 ESP Fit Center **** is at 7.498505 2.769095 -1.088912 ESP Fit Center **** is at 7.294412 3.136800 -1.088912 ESP Fit Center **** is at 7.020478 3.455895 -1.088912 ESP Fit Center **** is at 6.687918 3.713315 -1.088912 ESP Fit Center **** is at 6.310347 3.898523 -1.088912 ESP Fit Center **** is at 5.903224 4.003934 -1.088912 ESP Fit Center **** is at 5.483215 4.025235 -1.088912 ESP Fit Center **** is at 5.067515 3.961552 -1.088912 ESP Fit Center **** is at 4.673145 3.815493 -1.088912 ESP Fit Center **** is at 4.316248 3.593038 -1.088912 ESP Fit Center **** is at 7.231436 2.774562 -1.431603 ESP Fit Center **** is at 6.996865 3.131211 -1.431603 ESP Fit Center **** is at 6.686367 3.424150 -1.431603 ESP Fit Center **** is at 6.316682 3.637588 -1.431603 ESP Fit Center **** is at 5.907740 3.760017 -1.431603 ESP Fit Center **** is at 5.481587 3.784838 -1.431603 ESP Fit Center **** is at 5.061197 3.710712 -1.431603 ESP Fit Center **** is at 4.669234 3.541635 -1.431603 ESP Fit Center **** is at 6.906591 2.750999 -1.727419 ESP Fit Center **** is at 6.641455 3.076895 -1.727419 ESP Fit Center **** is at 6.298225 3.319173 -1.727419 ESP Fit Center **** is at 5.902356 3.459865 -1.727419 ESP Fit Center **** is at 5.483210 3.488535 -1.727419 ESP Fit Center **** is at 5.071871 3.403058 -1.727419 ESP Fit Center **** is at 6.188487 2.988672 -1.967373 ESP Fit Center **** is at 5.796865 3.131211 -1.967373 ESP Fit Center **** is at 3.962297 3.474748 1.253767 ESP Fit Center **** is at 3.970810 3.773525 0.470523 ESP Fit Center **** is at 3.970810 3.773525 -0.362988 ESP Fit Center **** is at 3.962297 3.474748 -1.146233 Entering OneElI... OneElI was handed 2147264477 working-precision words. Calculate electrostatic properties NBasis = 339 MinDer = 0 MaxDer = 0 NGrid = 10500 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 2 Levels= 1 BoxLen= 24.34 SMaxX= 25.16 Shift= 11.519604 5.593994 1.586302 Box 1 Number 0 centers from 1 to 110: Box 2 Number 4 centers from 111 to 112: ShPair: Thresh= 1.00D-06 NBox= 2 BxSize= 2.43D+01 RnKept= 1.26D+01 NSMCal= 6328 NSMKep= 2502 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 26271000 NTPThr= 100 NPartT= 12 Incr= 512 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178694386 working-precision words and 2502 shell-pairs PRISM was handed 178694386 working-precision words and 2502 shell-pairs PRISM was handed 178694386 working-precision words and 2502 shell-pairs PRISM was handed 178694386 working-precision words and 2502 shell-pairs PRISM was handed 178694386 working-precision words and 2502 shell-pairs PRISM was handed 178694386 working-precision words and 2502 shell-pairs PRISM was handed 178694386 working-precision words and 2502 shell-pairs PRISM was handed 178694386 working-precision words and 2502 shell-pairs PRISM was handed 178694386 working-precision words and 2502 shell-pairs PRISM was handed 178694386 working-precision words and 2502 shell-pairs PRISM was handed 178694386 working-precision words and 2502 shell-pairs PRISM was handed 178694386 working-precision words and 2502 shell-pairs IPart= 5 NShTot= 2142000 NBatch= 2193 AvBLen= 976.7 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 2131500 NBatch= 2182 AvBLen= 976.9 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 1 NShTot= 2478000 NBatch= 2597 AvBLen= 954.2 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 2688000 NBatch= 3234 AvBLen= 831.2 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 1900500 NBatch= 1875 AvBLen= 1013.6 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 9 NShTot= 1984500 NBatch= 1977 AvBLen= 1003.8 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 10 NShTot= 1953000 NBatch= 1951 AvBLen= 1001.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 2037000 NBatch= 2026 AvBLen= 1005.4 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 7 NShTot= 2068500 NBatch= 2065 AvBLen= 1001.7 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 4 NShTot= 2215500 NBatch= 2275 AvBLen= 973.8 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 3 NShTot= 2299500 NBatch= 2354 AvBLen= 976.8 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 2 NShTot= 2373000 NBatch= 2445 AvBLen= 970.6 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 10468 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00125 RRMS= 0.05475: ESP charges: 1 1 C 0.422892 2 C -0.424277 3 O -0.741218 4 N -0.594686 5 C 1.028246 6 N -0.666200 7 C 0.845707 8 O -0.610259 9 N -0.367005 10 C 0.516519 11 C -0.824817 12 H 0.069814 13 H 0.127594 14 H 0.113168 15 H 0.287834 16 C 0.605226 17 H 0.147601 18 Br -0.005545 19 H 0.105724 20 H 0.472033 21 O -0.549775 22 C -0.007175 23 C -0.087239 24 C -0.152841 25 C -0.120657 26 C -0.117283 27 C -0.216959 28 H 0.156058 29 H 0.146704 30 H 0.143215 31 H 0.142750 32 H 0.154852 Sum of ESP charges = -0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.492706 2 C -0.077791 3 O -0.269185 4 N -0.306852 5 C 1.028246 6 N -0.666200 7 C 0.845707 8 O -0.610259 9 N -0.367005 10 C 0.664120 11 C -0.824817 16 C 0.605226 18 Br -0.005545 21 O -0.549775 22 C -0.007175 23 C 0.068819 24 C -0.006137 25 C 0.022558 26 C 0.025466 27 C -0.062107 Charge= -0.00000 Dipole= -0.9956 5.8356 1.0108 Tot= 6.0056 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.600797 2 Atom -14.716429 3 Atom -22.273680 4 Atom -18.269196 5 Atom -14.576656 6 Atom -18.350706 7 Atom -14.563092 8 Atom -22.357422 9 Atom -18.249776 10 Atom -14.618071 11 Atom -14.626962 12 Atom -1.092310 13 Atom -1.099556 14 Atom -1.094969 15 Atom -0.968436 16 Atom -14.599141 17 Atom -1.029759 18 Atom -175.311612 19 Atom -1.096729 20 Atom -0.949989 21 Atom -22.362621 22 Atom -14.708477 23 Atom -14.714758 24 Atom -14.718691 25 Atom -14.713725 26 Atom -14.714800 27 Atom -14.707958 28 Atom -1.102527 29 Atom -1.097264 30 Atom -1.093300 31 Atom -1.093165 32 Atom -1.079680 33 Fit 0.002453 34 Fit -0.004280 35 Fit -0.000303 36 Fit 0.000166 37 Fit 0.009673 38 Fit 0.009751 39 Fit 0.010928 40 Fit 0.011057 41 Fit 0.009967 42 Fit 0.009437 43 Fit 0.011634 44 Fit 0.010632 45 Fit 0.009706 46 Fit 0.009423 47 Fit 0.012900 48 Fit 0.012220 49 Fit 0.011609 50 Fit 0.010274 51 Fit 0.009192 52 Fit 0.012805 53 Fit 0.014240 54 Fit 0.009565 55 Fit 0.014628 56 Fit 0.009333 57 Fit 0.017531 58 Fit 0.020182 59 Fit 0.008910 60 Fit 0.022507 61 Fit 0.009336 62 Fit 0.022101 63 Fit 0.031006 64 Fit 0.014554 65 Fit 0.009169 66 Fit 0.003509 67 Fit 0.018658 68 Fit 0.008292 69 Fit 0.010674 70 Fit 0.019498 71 Fit 0.012499 72 Fit 0.003670 73 Fit 0.003818 74 Fit 0.010776 75 Fit 0.005281 76 Fit -0.000965 77 Fit 0.001459 78 Fit 0.010436 79 Fit -0.001458 80 Fit -0.004134 81 Fit 0.000293 82 Fit 0.010477 83 Fit -0.004547 84 Fit -0.007182 85 Fit -0.003152 86 Fit 0.006375 87 Fit -0.002935 88 Fit -0.009723 89 Fit -0.009868 90 Fit -0.004545 91 Fit 0.005656 92 Fit -0.006369 93 Fit -0.012609 94 Fit -0.014193 95 Fit -0.011061 96 Fit -0.003534 97 Fit 0.008203 98 Fit -0.008143 99 Fit -0.013912 100 Fit -0.017638 101 Fit -0.017966 102 Fit -0.014250 103 Fit -0.006488 104 Fit 0.005111 105 Fit -0.011568 106 Fit -0.013454 107 Fit -0.016588 108 Fit -0.019978 109 Fit -0.022065 110 Fit -0.021548 111 Fit -0.017642 112 Fit -0.010215 113 Fit 0.000370 114 Fit 0.014710 115 Fit 0.007742 116 Fit -0.009735 117 Fit -0.020401 118 Fit -0.022693 119 Fit -0.024750 120 Fit -0.025371 121 Fit -0.023134 122 Fit -0.017320 123 Fit -0.008276 124 Fit 0.002537 125 Fit 0.007044 126 Fit -0.000708 127 Fit -0.006908 128 Fit -0.011436 129 Fit -0.014896 130 Fit -0.017896 131 Fit -0.025174 132 Fit -0.026899 133 Fit -0.026710 134 Fit -0.023202 135 Fit -0.016114 136 Fit -0.007484 137 Fit -0.001447 138 Fit -0.001600 139 Fit -0.006887 140 Fit -0.013300 141 Fit -0.018531 142 Fit -0.022377 143 Fit -0.025697 144 Fit -0.025549 145 Fit -0.019818 146 Fit -0.013821 147 Fit -0.015687 148 Fit -0.021658 149 Fit -0.021902 150 Fit 0.004410 151 Fit 0.006681 152 Fit 0.008487 153 Fit 0.008245 154 Fit 0.006071 155 Fit 0.001555 156 Fit 0.002719 157 Fit 0.012024 158 Fit 0.013718 159 Fit 0.014820 160 Fit -0.001626 161 Fit -0.002574 162 Fit 0.020488 163 Fit 0.023032 164 Fit 0.024231 165 Fit -0.011058 166 Fit 0.032047 167 Fit 0.027715 168 Fit 0.017366 169 Fit 0.018996 170 Fit 0.019831 171 Fit -0.016196 172 Fit 0.009465 173 Fit 0.010558 174 Fit 0.011324 175 Fit 0.011179 176 Fit 0.012466 177 Fit -0.004699 178 Fit -0.006029 179 Fit 0.004022 180 Fit 0.005647 181 Fit 0.005890 182 Fit 0.004087 183 Fit -0.000901 184 Fit 0.000090 185 Fit 0.001954 186 Fit 0.010845 187 Fit 0.008975 188 Fit 0.014573 189 Fit 0.015420 190 Fit 0.012752 191 Fit 0.005649 192 Fit 0.003336 193 Fit 0.016064 194 Fit 0.010360 195 Fit -0.006853 196 Fit 0.000436 197 Fit 0.022378 198 Fit 0.019376 199 Fit -0.015354 200 Fit 0.011912 201 Fit -0.012721 202 Fit -0.003823 203 Fit 0.005153 204 Fit 0.010944 205 Fit 0.011357 206 Fit 0.008150 207 Fit 0.000383 208 Fit -0.001717 209 Fit 0.006365 210 Fit -0.015913 211 Fit -0.022302 212 Fit -0.008537 213 Fit -0.002589 214 Fit -0.007136 215 Fit -0.021179 216 Fit -0.029738 217 Fit -0.026831 218 Fit 0.010332 219 Fit 0.010058 220 Fit -0.026004 221 Fit -0.038869 222 Fit -0.044257 223 Fit -0.040228 224 Fit -0.029773 225 Fit -0.042967 226 Fit -0.053400 227 Fit -0.059126 228 Fit -0.058888 229 Fit -0.049136 230 Fit -0.060623 231 Fit -0.067863 232 Fit -0.073870 233 Fit -0.077739 234 Fit -0.076444 235 Fit -0.080223 236 Fit -0.086216 237 Fit -0.091056 238 Fit -0.094541 239 Fit -0.099858 240 Fit -0.105125 241 Fit -0.103595 242 Fit -0.110061 243 Fit -0.101578 244 Fit -0.106054 245 Fit -0.094971 246 Fit -0.096809 247 Fit -0.084303 248 Fit -0.088858 249 Fit -0.066772 250 Fit -0.072172 251 Fit -0.077056 252 Fit -0.080342 253 Fit -0.035665 254 Fit 0.016972 255 Fit -0.048853 256 Fit -0.058058 257 Fit -0.062981 258 Fit -0.062602 259 Fit -0.053608 260 Fit -0.032340 261 Fit -0.016738 262 Fit 0.004150 263 Fit 0.004328 264 Fit -0.031428 265 Fit -0.043731 266 Fit -0.048691 267 Fit -0.044898 268 Fit -0.027673 269 Fit -0.014478 270 Fit -0.008361 271 Fit -0.012520 272 Fit -0.026319 273 Fit -0.034662 274 Fit -0.021258 275 Fit 0.005076 276 Fit -0.000686 277 Fit 0.010784 278 Fit 0.014335 279 Fit 0.009235 280 Fit -0.002815 281 Fit -0.007719 282 Fit 0.016092 283 Fit 0.020860 284 Fit -0.014594 285 Fit -0.023105 286 Fit -0.023358 287 Fit -0.018909 288 Fit -0.041720 289 Fit -0.062545 290 Fit 0.015990 291 Fit -0.004598 292 Fit -0.043548 293 Fit 0.007581 294 Fit 0.010122 295 Fit -0.002791 296 Fit -0.015142 297 Fit -0.028362 298 Fit -0.034237 299 Fit -0.031891 300 Fit -0.025303 301 Fit -0.008735 302 Fit 0.001515 303 Fit 0.002671 304 Fit -0.004123 305 Fit -0.014996 306 Fit -0.017201 307 Fit -0.005462 308 Fit -0.035093 309 Fit -0.039872 310 Fit -0.019425 311 Fit -0.030245 312 Fit -0.043360 313 Fit -0.047977 314 Fit -0.045957 315 Fit -0.039412 316 Fit -0.049583 317 Fit -0.055841 318 Fit -0.058511 319 Fit -0.056123 320 Fit -0.042575 321 Fit -0.051840 322 Fit -0.058392 323 Fit -0.063318 324 Fit -0.066698 325 Fit -0.067715 326 Fit -0.064708 327 Fit -0.034026 328 Fit -0.045549 329 Fit -0.053465 330 Fit -0.059426 331 Fit -0.064411 332 Fit -0.068868 333 Fit -0.072756 334 Fit -0.075660 335 Fit -0.076865 336 Fit -0.075182 337 Fit -0.039552 338 Fit -0.049225 339 Fit -0.056113 340 Fit -0.061496 341 Fit -0.066256 342 Fit -0.070861 343 Fit -0.075397 344 Fit -0.079682 345 Fit -0.083414 346 Fit -0.086288 347 Fit -0.087779 348 Fit -0.030249 349 Fit -0.043061 350 Fit -0.051676 351 Fit -0.057821 352 Fit -0.062706 353 Fit -0.067147 354 Fit -0.071601 355 Fit -0.076215 356 Fit -0.080923 357 Fit -0.085587 358 Fit -0.090168 359 Fit -0.094894 360 Fit -0.034891 361 Fit -0.046978 362 Fit -0.054740 363 Fit -0.060284 364 Fit -0.064860 365 Fit -0.069224 366 Fit -0.073750 367 Fit -0.078532 368 Fit -0.083493 369 Fit -0.088554 370 Fit -0.093835 371 Fit -0.099906 372 Fit -0.046646 373 Fit -0.054836 374 Fit -0.060504 375 Fit -0.065109 376 Fit -0.069470 377 Fit -0.073987 378 Fit -0.078756 379 Fit -0.083700 380 Fit -0.088725 381 Fit -0.093926 382 Fit -0.099810 383 Fit -0.041721 384 Fit -0.051931 385 Fit -0.058528 386 Fit -0.063511 387 Fit -0.067943 388 Fit -0.072361 389 Fit -0.076935 390 Fit -0.081596 391 Fit -0.086177 392 Fit -0.090578 393 Fit -0.094893 394 Fit -0.038977 395 Fit -0.050388 396 Fit -0.057684 397 Fit -0.063072 398 Fit -0.067739 399 Fit -0.072247 400 Fit -0.076701 401 Fit -0.080896 402 Fit -0.084473 403 Fit -0.087006 404 Fit -0.087795 405 Fit -0.037754 406 Fit -0.048871 407 Fit -0.056457 408 Fit -0.062080 409 Fit -0.066791 410 Fit -0.071057 411 Fit -0.074822 412 Fit -0.077627 413 Fit -0.078694 414 Fit -0.076789 415 Fit -0.058923 416 Fit -0.038444 417 Fit -0.048852 418 Fit -0.056504 419 Fit -0.062212 420 Fit -0.066683 421 Fit -0.069858 422 Fit -0.070859 423 Fit -0.068043 424 Fit -0.052100 425 Fit -0.027522 426 Fit -0.038159 427 Fit -0.048123 428 Fit -0.055745 429 Fit -0.060871 430 Fit -0.063188 431 Fit -0.061081 432 Fit -0.047742 433 Fit -0.034454 434 Fit -0.032589 435 Fit -0.041793 436 Fit -0.051351 437 Fit -0.054738 438 Fit -0.044646 439 Fit 0.018194 440 Fit 0.020588 441 Fit 0.016990 442 Fit 0.021242 443 Fit 0.022222 444 Fit 0.017715 445 Fit 0.000023 446 Fit 0.010093 447 Fit 0.009588 448 Fit -0.003367 449 Fit 0.001827 450 Fit 0.000734 451 Fit 0.003870 452 Fit 0.002712 453 Fit -0.001645 454 Fit -0.002512 455 Fit -0.000182 456 Fit 0.001744 457 Fit -0.000093 458 Fit 0.021636 459 Fit 0.016310 460 Fit 0.024576 461 Fit 0.027643 462 Fit 0.024273 463 Fit 0.020029 464 Fit 0.028143 465 Fit 0.032866 466 Fit 0.020919 467 Fit 0.017090 468 Fit 0.034019 469 Fit 0.038271 470 Fit 0.012350 471 Fit 0.004270 472 Fit 0.019088 473 Fit 0.010030 474 Fit 0.005850 475 Fit 0.001088 476 Fit 0.001645 477 Fit 0.011769 478 Fit 0.010604 479 Fit 0.007303 480 Fit 0.007416 481 Fit 0.008220 482 Fit 0.006195 483 Fit 0.006751 484 Fit 0.008561 485 Fit 0.007692 486 Fit 0.015511 487 Fit 0.015600 488 Fit 0.022753 489 Fit 0.020577 490 Fit 0.011143 491 Fit 0.012230 492 Fit 0.006243 493 Fit 0.002496 494 Fit -0.013232 495 Fit 0.029190 496 Fit 0.019064 497 Fit 0.008956 498 Fit -0.003727 499 Fit -0.021961 500 Fit 0.036985 501 Fit 0.026864 502 Fit 0.018071 503 Fit 0.008722 504 Fit -0.002982 505 Fit -0.019450 506 Fit 0.042801 507 Fit 0.031758 508 Fit 0.023126 509 Fit 0.014928 510 Fit 0.005656 511 Fit -0.006261 512 Fit -0.023012 513 Fit 0.045240 514 Fit 0.033711 515 Fit 0.025151 516 Fit 0.017473 517 Fit 0.009222 518 Fit -0.000895 519 Fit -0.014349 520 Fit -0.032944 521 Fit 0.040662 522 Fit 0.031853 523 Fit 0.024247 524 Fit 0.017082 525 Fit 0.009235 526 Fit -0.000365 527 Fit -0.012666 528 Fit -0.027951 529 Fit -0.002869 530 Fit 0.026617 531 Fit 0.023514 532 Fit 0.018046 533 Fit 0.011355 534 Fit 0.003123 535 Fit -0.006835 536 Fit -0.017228 537 Fit -0.023227 538 Fit -0.017686 539 Fit -0.002000 540 Fit 0.011683 541 Fit 0.016221 542 Fit 0.013723 543 Fit 0.007813 544 Fit 0.000107 545 Fit -0.006817 546 Fit -0.007940 547 Fit 0.000624 548 Fit 0.002141 549 Fit 0.004236 550 Fit 0.009138 551 Fit 0.006226 552 Fit 0.000511 553 Fit 0.004164 554 Fit 0.008460 555 Fit 0.008099 556 Fit 0.008807 557 Fit 0.009026 558 Fit 0.008674 559 Fit 0.008043 560 Fit 0.007605 561 Fit 0.007444 562 Fit 0.008680 563 Fit 0.009451 564 Fit 0.009020 565 Fit 0.008174 566 Fit 0.007383 567 Fit 0.006492 568 Fit 0.005877 569 Fit 0.006206 570 Fit 0.006521 571 Fit 0.008640 572 Fit 0.010034 573 Fit 0.009147 574 Fit 0.007861 575 Fit 0.006801 576 Fit 0.005553 577 Fit 0.004102 578 Fit 0.002931 579 Fit 0.002816 580 Fit 0.004197 581 Fit 0.005658 582 Fit 0.009114 583 Fit 0.011318 584 Fit 0.008454 585 Fit 0.006754 586 Fit 0.005178 587 Fit 0.003238 588 Fit 0.000932 589 Fit -0.001262 590 Fit -0.002420 591 Fit -0.001549 592 Fit 0.001539 593 Fit 0.005833 594 Fit 0.011102 595 Fit 0.013952 596 Fit 0.006127 597 Fit 0.003819 598 Fit 0.001040 599 Fit -0.002379 600 Fit -0.006117 601 Fit -0.009248 602 Fit -0.010232 603 Fit -0.007582 604 Fit -0.001388 605 Fit 0.016918 606 Fit 0.005026 607 Fit 0.001413 608 Fit -0.003042 609 Fit -0.008569 610 Fit -0.014755 611 Fit -0.020137 612 Fit -0.021801 613 Fit -0.016413 614 Fit -0.003934 615 Fit 0.002468 616 Fit -0.003842 617 Fit -0.011972 618 Fit -0.022010 619 Fit -0.032324 620 Fit -0.005453 621 Fit -0.018776 622 Fit -0.016524 623 Fit 0.013252 624 Fit 0.011784 625 Fit 0.014636 626 Fit 0.015463 627 Fit 0.015557 628 Fit 0.014324 629 Fit 0.012110 630 Fit 0.016767 631 Fit 0.018059 632 Fit 0.018603 633 Fit 0.018058 634 Fit 0.016431 635 Fit 0.013943 636 Fit 0.011146 637 Fit 0.018600 638 Fit 0.020368 639 Fit 0.021607 640 Fit 0.021926 641 Fit 0.021271 642 Fit 0.019699 643 Fit 0.017323 644 Fit 0.014342 645 Fit 0.011177 646 Fit 0.008945 647 Fit 0.021846 648 Fit 0.024003 649 Fit 0.025380 650 Fit 0.025792 651 Fit 0.025295 652 Fit 0.023988 653 Fit 0.021961 654 Fit 0.019304 655 Fit 0.016148 656 Fit 0.012746 657 Fit 0.009713 658 Fit 0.025966 659 Fit 0.028871 660 Fit 0.030461 661 Fit 0.030778 662 Fit 0.030094 663 Fit 0.028640 664 Fit 0.026557 665 Fit 0.023933 666 Fit 0.020848 667 Fit 0.017426 668 Fit 0.013926 669 Fit 0.010972 670 Fit 0.036494 671 Fit 0.038784 672 Fit 0.038622 673 Fit 0.037054 674 Fit 0.034741 675 Fit 0.031986 676 Fit 0.028902 677 Fit 0.025551 678 Fit 0.022032 679 Fit 0.018581 680 Fit 0.015744 681 Fit 0.049914 682 Fit 0.044647 683 Fit 0.039701 684 Fit 0.035147 685 Fit 0.030913 686 Fit 0.027068 687 Fit 0.024023 688 Fit 0.022907 689 Fit 0.058484 690 Fit 0.048388 691 Fit 0.041138 692 Fit 0.035925 693 Fit 0.033028 694 Fit 0.053391 695 Fit 0.046337 696 Fit 0.036589 697 Fit 0.034209 698 Fit -0.000384 699 Fit -0.000162 700 Fit 0.006286 701 Fit 0.005131 702 Fit -0.002455 703 Fit -0.010266 704 Fit -0.007996 705 Fit 0.011310 706 Fit 0.012436 707 Fit -0.005027 708 Fit -0.016370 709 Fit -0.024666 710 Fit -0.024125 711 Fit -0.016731 712 Fit -0.008858 713 Fit -0.013202 714 Fit -0.029935 715 Fit -0.027557 716 Fit -0.016931 717 Fit 0.015011 718 Fit -0.018952 719 Fit -0.020191 720 Fit 0.003091 721 Fit 0.009032 722 Fit 0.009632 723 Fit -0.009512 724 Fit -0.022666 725 Fit -0.031690 726 Fit -0.030521 727 Fit -0.021487 728 Fit -0.011766 729 Fit -0.003090 730 Fit 0.003485 731 Fit 0.001848 732 Fit -0.006805 733 Fit -0.015548 734 Fit -0.012325 735 Fit -0.004210 736 Fit 0.035232 737 Fit 0.039395 738 Fit 0.034144 739 Fit 0.036168 740 Fit 0.039986 741 Fit 0.033516 742 Fit 0.033855 743 Fit 0.034441 744 Fit 0.032048 745 Fit 0.031592 746 Fit 0.029503 747 Fit 0.026435 748 Fit 0.030469 749 Fit 0.029057 750 Fit 0.025193 751 Fit 0.018118 752 Fit 0.028552 753 Fit 0.026956 754 Fit 0.022388 755 Fit 0.013251 756 Fit 0.025480 757 Fit 0.021653 758 Fit 0.013186 759 Fit 0.022097 760 Fit 0.016447 761 Fit 0.004195 762 Fit 0.020672 763 Fit 0.016562 764 Fit 0.006537 765 Fit 0.015155 766 Fit 0.005645 767 Fit 0.013352 768 Fit 0.004810 769 Fit 0.001153 770 Fit 0.001326 771 Fit 0.000987 772 Fit 0.000957 773 Fit 0.001447 774 Fit 0.001788 775 Fit 0.001659 776 Fit 0.001971 777 Fit 0.001608 778 Fit 0.001292 779 Fit 0.001046 780 Fit 0.001027 781 Fit 0.001456 782 Fit 0.002221 783 Fit 0.002788 784 Fit 0.002854 785 Fit 0.002689 786 Fit 0.002520 787 Fit 0.002301 788 Fit 0.003113 789 Fit 0.002697 790 Fit 0.002347 791 Fit 0.002038 792 Fit 0.001713 793 Fit 0.001414 794 Fit 0.001318 795 Fit 0.001639 796 Fit 0.002444 797 Fit 0.003504 798 Fit 0.004332 799 Fit 0.004549 800 Fit 0.004283 801 Fit 0.003980 802 Fit 0.003838 803 Fit 0.003786 804 Fit 0.003714 805 Fit 0.003495 806 Fit 0.004803 807 Fit 0.004245 808 Fit 0.003797 809 Fit 0.003463 810 Fit 0.003160 811 Fit 0.002804 812 Fit 0.002381 813 Fit 0.001983 814 Fit 0.001782 815 Fit 0.001975 816 Fit 0.002689 817 Fit 0.003895 818 Fit 0.005333 819 Fit 0.006529 820 Fit 0.007012 821 Fit 0.006679 822 Fit 0.005974 823 Fit 0.005481 824 Fit 0.005358 825 Fit 0.005406 826 Fit 0.005502 827 Fit 0.005632 828 Fit 0.005633 829 Fit 0.005334 830 Fit 0.007119 831 Fit 0.006266 832 Fit 0.005598 833 Fit 0.005143 834 Fit 0.004821 835 Fit 0.004510 836 Fit 0.004112 837 Fit 0.003601 838 Fit 0.003034 839 Fit 0.002551 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0.013049 **** Fit 0.013362 **** Fit 0.013806 **** Fit 0.014473 **** Fit 0.015494 **** Fit 0.011061 **** Fit 0.011247 **** Fit 0.011460 **** Fit 0.011678 **** Fit 0.011898 **** Fit 0.012138 **** Fit 0.012438 **** Fit 0.012846 **** Fit 0.009568 **** Fit 0.009944 **** Fit 0.010229 **** Fit 0.010431 **** Fit 0.010558 **** Fit 0.010610 **** Fit 0.008457 **** Fit 0.008641 **** Fit 0.016951 **** Fit 0.019240 **** Fit 0.018886 **** Fit 0.016022 ----------------------------------------------------------------- Leave Link 602 at Tue May 7 12:13:49 2024, MaxMem= 2147483648 cpu: 2.7 elap: 0.3 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.027399734 -0.040714382 0.007118492 2 6 0.003860097 0.002127639 -0.001668567 3 8 0.019181307 -0.010364692 -0.007775786 4 7 0.005030397 -0.046260301 0.001612642 5 6 -0.013446290 0.000731718 0.007274659 6 7 0.001112277 -0.038213253 0.003179207 7 6 0.055762669 0.018452879 -0.035547591 8 8 -0.058426905 -0.006746675 0.034849822 9 7 -0.043012591 0.013581756 0.005217122 10 6 0.015092954 0.013001889 -0.008581544 11 6 -0.036132180 0.021861622 0.018537145 12 1 -0.014601574 0.005624997 0.008890728 13 1 -0.006198742 -0.009991165 -0.000319470 14 1 -0.002353124 0.009057204 0.004431780 15 1 -0.006036869 -0.005612138 0.003850155 16 6 0.094248214 0.025930335 -0.054851965 17 1 0.003322761 -0.011405548 -0.002116972 18 35 0.043253115 -0.002239246 -0.023742225 19 1 0.007506283 -0.000828287 -0.007699154 20 1 -0.016736561 0.038385652 0.005756558 21 8 -0.059600031 0.019278443 0.031296919 22 6 -0.058984226 -0.022083580 0.034652230 23 6 -0.006812967 0.057178110 -0.001419315 24 6 0.031504160 -0.040956488 -0.013825248 25 6 -0.032528328 -0.034141704 0.021390742 26 6 0.010025706 0.045956258 -0.009922127 27 6 0.045797730 -0.010602629 -0.024228491 28 1 0.007629851 -0.000660849 -0.004175855 29 1 0.007788268 0.007113952 -0.004914192 30 1 -0.007339064 0.008864986 0.003162401 31 1 -0.009531724 0.003334619 0.004922761 32 1 -0.006774348 -0.009661123 0.004645140 ------------------------------------------------------------------- Cartesian Forces: Max 0.094248214 RMS 0.025682690 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.070681058 RMS 0.015992126 Search for a local minimum. Step number 1 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Second derivative matrix not updated -- first step. ITU= 0 Eigenvalues --- 0.00283 0.01075 0.01270 0.01332 0.01544 Eigenvalues --- 0.01546 0.01592 0.01597 0.01670 0.01776 Eigenvalues --- 0.01787 0.01800 0.01851 0.01975 0.02040 Eigenvalues --- 0.02076 0.02094 0.02118 0.02124 0.02136 Eigenvalues --- 0.02476 0.02481 0.02583 0.02620 0.02666 Eigenvalues --- 0.05470 0.05750 0.05758 0.05858 0.07644 Eigenvalues --- 0.12162 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16954 0.19803 0.22000 Eigenvalues --- 0.22000 0.22000 0.23451 0.23477 0.25000 Eigenvalues --- 0.25000 0.25000 0.25000 0.25000 0.25000 Eigenvalues --- 0.25000 0.25000 0.25000 0.28827 0.33726 Eigenvalues --- 0.33730 0.33763 0.33876 0.34512 0.34863 Eigenvalues --- 0.34960 0.35207 0.36448 0.38355 0.38387 Eigenvalues --- 0.38433 0.38442 0.38544 0.38698 0.40716 Eigenvalues --- 0.41393 0.44166 0.44393 0.45320 0.47068 Eigenvalues --- 0.49735 0.50300 0.55958 0.56135 0.57050 Eigenvalues --- 0.57742 0.59097 0.72493 0.88596 0.88670 RFO step: Lambda=-9.44808875D-02 EMin= 2.82525244D-03 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.594 Iteration 1 RMS(Cart)= 0.23710918 RMS(Int)= 0.00848591 Iteration 2 RMS(Cart)= 0.02642124 RMS(Int)= 0.00013474 Iteration 3 RMS(Cart)= 0.00013388 RMS(Int)= 0.00013061 Iteration 4 RMS(Cart)= 0.00000002 RMS(Int)= 0.00013061 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90365 -0.00269 0.00000 -0.00418 -0.00418 2.89947 R2 2.69703 -0.02162 0.00000 -0.02525 -0.02525 2.67177 R3 2.70592 0.01260 0.00000 0.01491 0.01491 2.72083 R4 2.07540 -0.01544 0.00000 -0.02117 -0.02117 2.05424 R5 2.07732 -0.01143 0.00000 -0.01571 -0.01571 2.06161 R6 2.07789 -0.00969 0.00000 -0.01332 -0.01332 2.06456 R7 2.07794 -0.01056 0.00000 -0.01453 -0.01453 2.06341 R8 1.86834 -0.04216 0.00000 -0.04230 -0.04230 1.82604 R9 2.65988 -0.00976 0.00000 -0.01077 -0.01077 2.64911 R10 1.86264 0.00707 0.00000 0.00702 0.00702 1.86966 R11 2.53354 0.05289 0.00000 0.04723 0.04723 2.58077 R12 2.40748 -0.00145 0.00000 -0.00072 -0.00073 2.40675 R13 2.77837 -0.01854 0.00000 -0.02393 -0.02393 2.75444 R14 2.64169 -0.01724 0.00000 -0.01839 -0.01839 2.62330 R15 2.33587 -0.06782 0.00000 -0.04108 -0.04108 2.29479 R16 2.62869 -0.00602 0.00000 -0.00668 -0.00667 2.62202 R17 2.62354 -0.02886 0.00000 -0.03048 -0.03047 2.59307 R18 2.51368 -0.00493 0.00000 -0.00431 -0.00431 2.50937 R19 2.00281 0.00749 0.00000 0.00927 0.00927 2.01208 R20 3.89732 -0.04939 0.00000 -0.13572 -0.13572 3.76160 R21 2.33552 -0.06758 0.00000 -0.04090 -0.04090 2.29462 R22 2.79039 0.01398 0.00000 0.01870 0.01870 2.80910 R23 2.51826 0.03025 0.00000 0.02636 0.02635 2.54461 R24 2.77959 -0.02901 0.00000 -0.03816 -0.03817 2.74143 R25 2.76471 -0.03481 0.00000 -0.04485 -0.04485 2.71986 R26 2.00506 0.00872 0.00000 0.01083 0.01083 2.01589 R27 2.51554 0.02955 0.00000 0.02552 0.02552 2.54106 R28 2.00441 0.01103 0.00000 0.01368 0.01368 2.01808 R29 2.76221 -0.03238 0.00000 -0.04173 -0.04172 2.72049 R30 2.00428 0.01151 0.00000 0.01427 0.01427 2.01854 R31 2.51621 0.02619 0.00000 0.02264 0.02264 2.53885 R32 2.00552 0.01091 0.00000 0.01356 0.01356 2.01908 R33 2.00062 0.01261 0.00000 0.01555 0.01555 2.01616 A1 1.89041 0.00946 0.00000 0.02563 0.02595 1.91636 A2 1.89630 0.01416 0.00000 0.03070 0.03100 1.92730 A3 1.89778 -0.00220 0.00000 0.00462 0.00469 1.90246 A4 1.92111 -0.01795 0.00000 -0.04193 -0.04249 1.87862 A5 1.93755 0.00231 0.00000 0.00241 0.00155 1.93910 A6 1.91984 -0.00503 0.00000 -0.01936 -0.01981 1.90002 A7 1.91059 0.00248 0.00000 0.00586 0.00584 1.91643 A8 1.90990 0.00416 0.00000 0.00942 0.00940 1.91930 A9 1.91010 0.00162 0.00000 0.00402 0.00400 1.91410 A10 1.91206 -0.00369 0.00000 -0.00908 -0.00911 1.90295 A11 1.91121 -0.00159 0.00000 -0.00311 -0.00313 1.90809 A12 1.90993 -0.00298 0.00000 -0.00708 -0.00710 1.90283 A13 1.90919 -0.00570 0.00000 -0.01330 -0.01330 1.89589 A14 2.07449 -0.04068 0.00000 -0.07919 -0.07919 1.99530 A15 2.11220 0.07068 0.00000 0.13347 0.13347 2.24567 A16 2.09649 -0.03000 0.00000 -0.05428 -0.05428 2.04221 A17 2.10186 0.04017 0.00000 0.06861 0.06861 2.17047 A18 2.08564 -0.03561 0.00000 -0.06204 -0.06204 2.02360 A19 2.09568 -0.00456 0.00000 -0.00657 -0.00657 2.08911 A20 2.11178 0.00276 0.00000 0.00604 0.00604 2.11781 A21 2.09281 0.01223 0.00000 0.02132 0.02131 2.11413 A22 2.09295 -0.00473 0.00000 -0.00864 -0.00864 2.08431 A23 2.09742 -0.00751 0.00000 -0.01270 -0.01271 2.08471 A24 2.09969 -0.00603 0.00000 -0.00971 -0.00972 2.08998 A25 2.09797 0.00048 0.00000 0.00150 0.00150 2.09947 A26 2.08552 0.00555 0.00000 0.00821 0.00822 2.09374 A27 2.08823 -0.00107 0.00000 -0.00298 -0.00298 2.08525 A28 2.09898 -0.00886 0.00000 -0.02043 -0.02043 2.07855 A29 2.09598 0.00993 0.00000 0.02341 0.02341 2.11938 A30 2.09221 0.00205 0.00000 0.00393 0.00393 2.09614 A31 2.10191 -0.00006 0.00000 -0.00030 -0.00029 2.10161 A32 2.08906 -0.00199 0.00000 -0.00364 -0.00363 2.08543 A33 2.09615 0.04069 0.00000 0.07014 0.07014 2.16628 A34 2.11839 -0.03852 0.00000 -0.06640 -0.06640 2.05199 A35 2.06865 -0.00217 0.00000 -0.00374 -0.00374 2.06491 A36 2.07839 -0.00493 0.00000 -0.00858 -0.00857 2.06982 A37 2.11968 0.00695 0.00000 0.01190 0.01190 2.13158 A38 2.08511 -0.00203 0.00000 -0.00332 -0.00333 2.08179 A39 2.09928 0.00019 0.00000 0.00055 0.00054 2.09981 A40 2.09197 -0.00025 0.00000 -0.00063 -0.00062 2.09135 A41 2.09194 0.00005 0.00000 0.00007 0.00008 2.09202 A42 2.09592 0.00081 0.00000 0.00147 0.00147 2.09738 A43 2.09363 -0.00413 0.00000 -0.00943 -0.00943 2.08420 A44 2.09364 0.00332 0.00000 0.00796 0.00797 2.10160 A45 2.09377 0.00017 0.00000 0.00003 0.00004 2.09381 A46 2.09392 0.00309 0.00000 0.00740 0.00739 2.10132 A47 2.09550 -0.00326 0.00000 -0.00743 -0.00744 2.08806 A48 2.09580 -0.00085 0.00000 -0.00189 -0.00187 2.09393 A49 2.09399 -0.00226 0.00000 -0.00531 -0.00532 2.08868 A50 2.09339 0.00310 0.00000 0.00720 0.00719 2.10058 A51 2.09650 0.00170 0.00000 0.00315 0.00315 2.09965 A52 2.09654 0.00054 0.00000 0.00166 0.00165 2.09820 A53 2.09015 -0.00223 0.00000 -0.00481 -0.00481 2.08534 D1 -3.13602 0.00479 0.00000 0.01219 0.01204 -3.12398 D2 1.05149 0.00524 0.00000 0.01395 0.01381 1.06530 D3 -1.04127 0.00536 0.00000 0.01442 0.01427 -1.02699 D4 -1.04942 -0.00322 0.00000 -0.00584 -0.00572 -1.05515 D5 3.13809 -0.00277 0.00000 -0.00407 -0.00396 3.13413 D6 1.04533 -0.00265 0.00000 -0.00360 -0.00349 1.04184 D7 1.03991 -0.00231 0.00000 -0.00859 -0.00856 1.03135 D8 -1.05576 -0.00185 0.00000 -0.00683 -0.00679 -1.06256 D9 3.13466 -0.00173 0.00000 -0.00636 -0.00633 3.12834 D10 -1.04879 0.00235 0.00000 0.00028 -0.00002 -1.04881 D11 -3.11972 -0.01009 0.00000 -0.02801 -0.02773 3.13573 D12 1.03359 0.00696 0.00000 0.02343 0.02346 1.05704 D13 1.62721 -0.00263 0.00000 -0.00653 -0.00641 1.62080 D14 -1.51279 -0.00273 0.00000 -0.00702 -0.00689 -1.51968 D15 -2.58866 0.00687 0.00000 0.01853 0.01799 -2.57066 D16 0.55453 0.00678 0.00000 0.01805 0.01751 0.57204 D17 -0.44831 -0.00554 0.00000 -0.01928 -0.01886 -0.46717 D18 2.69487 -0.00564 0.00000 -0.01976 -0.01934 2.67553 D19 3.13974 -0.00007 0.00000 -0.00040 -0.00040 3.13934 D20 -0.00262 -0.00006 0.00000 -0.00028 -0.00028 -0.00290 D21 -0.00202 -0.00007 0.00000 -0.00043 -0.00043 -0.00245 D22 3.13880 -0.00006 0.00000 -0.00030 -0.00030 3.13850 D23 0.00038 -0.00008 0.00000 -0.00043 -0.00043 -0.00005 D24 3.14153 0.00000 0.00000 0.00005 0.00005 3.14158 D25 -3.14139 -0.00009 0.00000 -0.00046 -0.00046 3.14134 D26 -0.00023 -0.00000 0.00000 0.00002 0.00002 -0.00021 D27 -3.14143 0.00020 0.00000 0.00103 0.00105 -3.14038 D28 0.00094 0.00020 0.00000 0.00092 0.00094 0.00188 D29 -3.14130 -0.00015 0.00000 -0.00071 -0.00071 3.14118 D30 0.00087 0.00004 0.00000 0.00027 0.00028 0.00116 D31 -0.00047 -0.00012 0.00000 -0.00055 -0.00055 -0.00103 D32 -3.14149 0.00007 0.00000 0.00043 0.00044 -3.14105 D33 -3.14071 0.00104 0.00000 0.00547 0.00555 -3.13517 D34 -0.00144 -0.00025 0.00000 -0.00129 -0.00130 -0.00274 D35 -3.13859 0.00014 0.00000 0.00077 0.00077 -3.13781 D36 0.00143 0.00023 0.00000 0.00124 0.00125 0.00267 D37 0.00068 -0.00113 0.00000 -0.00595 -0.00591 -0.00523 D38 3.14070 -0.00103 0.00000 -0.00548 -0.00544 3.13526 D39 3.13904 -0.00007 0.00000 -0.00043 -0.00042 3.13862 D40 -0.00073 -0.00055 0.00000 -0.00274 -0.00271 -0.00343 D41 -0.00097 -0.00016 0.00000 -0.00089 -0.00088 -0.00186 D42 -3.14074 -0.00063 0.00000 -0.00320 -0.00317 3.13927 D43 0.00048 0.00010 0.00000 0.00052 0.00052 0.00100 D44 3.14150 -0.00009 0.00000 -0.00045 -0.00046 3.14104 D45 3.14025 0.00055 0.00000 0.00278 0.00281 -3.14012 D46 -0.00191 0.00036 0.00000 0.00181 0.00183 -0.00008 D47 3.14034 -0.00004 0.00000 -0.00022 -0.00021 3.14013 D48 -0.00103 -0.00005 0.00000 -0.00026 -0.00026 -0.00129 D49 -0.00169 0.00005 0.00000 0.00027 0.00026 -0.00142 D50 3.14013 0.00004 0.00000 0.00022 0.00021 3.14035 D51 -3.14040 -0.00004 0.00000 -0.00019 -0.00019 -3.14059 D52 0.00006 0.00001 0.00000 0.00002 0.00002 0.00009 D53 0.00097 -0.00003 0.00000 -0.00014 -0.00014 0.00083 D54 3.14143 0.00002 0.00000 0.00007 0.00007 3.14151 D55 3.14101 0.00002 0.00000 0.00009 0.00009 3.14111 D56 -0.00071 0.00001 0.00000 0.00004 0.00004 -0.00067 D57 -0.00035 0.00001 0.00000 0.00005 0.00004 -0.00031 D58 3.14111 0.00000 0.00000 -0.00001 -0.00001 3.14110 D59 -0.00168 0.00006 0.00000 0.00029 0.00029 -0.00139 D60 -3.14138 0.00000 0.00000 0.00001 0.00001 -3.14137 D61 3.14105 0.00002 0.00000 0.00007 0.00007 3.14112 D62 0.00135 -0.00004 0.00000 -0.00021 -0.00021 0.00114 D63 0.00166 -0.00005 0.00000 -0.00029 -0.00029 0.00137 D64 3.14154 0.00000 0.00000 -0.00000 -0.00000 3.14154 D65 3.14136 -0.00000 0.00000 -0.00003 -0.00003 3.14133 D66 -0.00194 0.00005 0.00000 0.00026 0.00026 -0.00168 D67 -0.00104 0.00004 0.00000 0.00020 0.00020 -0.00084 D68 3.14070 0.00004 0.00000 0.00021 0.00021 3.14090 D69 -3.14092 -0.00002 0.00000 -0.00011 -0.00011 -3.14103 D70 0.00082 -0.00002 0.00000 -0.00010 -0.00010 0.00072 D71 0.00034 -0.00001 0.00000 -0.00005 -0.00005 0.00029 D72 -3.14113 0.00000 0.00000 0.00001 0.00001 -3.14112 D73 -3.14140 -0.00001 0.00000 -0.00006 -0.00007 -3.14146 D74 0.00033 0.00000 0.00000 -0.00001 -0.00001 0.00032 Item Value Threshold Converged? Maximum Force 0.070681 0.000450 NO RMS Force 0.015992 0.000300 NO Maximum Displacement 0.770056 0.001800 NO RMS Displacement 0.247629 0.001200 NO Predicted change in Energy=-4.386271D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.693503 -6.533622 1.279348 2 6 0 7.539256 -6.921734 2.499286 3 8 0 5.597358 -7.417986 1.155593 4 7 0 4.672220 -1.376358 1.884671 5 6 0 5.248645 -2.639154 1.689071 6 7 0 6.350801 -2.840170 1.083352 7 6 0 6.864056 -4.120086 0.923811 8 8 0 7.918627 -4.306757 0.351374 9 7 0 6.165268 -5.203502 1.436736 10 6 0 4.976274 -5.004045 2.092042 11 6 0 4.505727 -3.770099 2.230923 12 1 0 7.319995 -6.560190 0.391378 13 1 0 8.375010 -6.228576 2.605262 14 1 0 7.929882 -7.934497 2.375505 15 1 0 3.811997 -1.392319 2.373181 16 6 0 5.140697 -0.154670 1.493385 17 1 0 4.450518 -5.845530 2.478269 18 35 0 2.780489 -3.480504 3.180650 19 1 0 6.923266 -6.885471 3.400123 20 1 0 5.936357 -8.315923 1.043700 21 8 0 6.179709 0.014436 0.888170 22 6 0 4.321039 1.037788 1.833845 23 6 0 4.764493 2.252833 1.459402 24 6 0 4.001002 3.432490 1.770918 25 6 0 2.837750 3.328183 2.437328 26 6 0 2.354559 2.033940 2.842263 27 6 0 3.065737 0.931375 2.553169 28 1 0 5.686471 2.341223 0.930130 29 1 0 4.366008 4.388949 1.466920 30 1 0 2.268243 4.201282 2.670441 31 1 0 1.429976 1.956561 3.372114 32 1 0 2.700067 -0.023866 2.856639 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.534333 0.000000 3 O 1.413842 2.413036 0.000000 4 N 5.572197 6.272866 6.155380 0.000000 5 C 4.174011 4.923803 4.821144 1.401849 0.000000 6 N 3.714492 4.480675 4.639967 2.366959 1.273597 7 C 2.445537 3.284394 3.540394 3.640803 2.321279 8 O 2.705733 3.405224 3.964190 4.634371 3.420400 9 N 1.439800 2.443189 2.303368 4.132417 2.734913 10 C 2.439048 3.226802 2.662666 3.646309 2.414390 11 C 3.650879 4.382592 3.956648 2.424378 1.457590 12 H 1.087055 2.149899 2.070584 6.009389 4.620500 13 H 2.162999 1.090955 3.351356 6.146050 4.847423 14 H 2.166251 1.092520 2.682468 7.339106 5.975021 15 H 5.994377 6.669542 6.401461 0.989384 2.021525 16 C 6.568718 7.249695 7.285493 1.365685 2.494515 17 H 2.634742 3.270926 2.353153 4.513869 3.397159 18 Br 5.314900 5.912037 5.247796 3.112176 3.004076 19 H 2.162008 1.091909 2.660737 6.141183 4.874757 20 H 1.950742 2.575224 0.966297 7.103720 5.754577 21 O 6.579823 7.249449 7.459997 2.280317 2.924015 22 C 7.953761 8.611256 8.578411 2.440085 3.794907 23 C 8.997516 9.641231 9.711370 3.655187 4.921249 24 C 10.335115 10.966299 10.984526 4.856798 6.199046 25 C 10.651899 11.276913 11.168635 5.079705 6.479306 26 C 9.729967 10.353878 10.134076 4.233044 5.616351 27 C 8.396993 9.038063 8.835957 2.890208 4.273222 28 H 8.938621 9.575877 9.762220 3.969919 5.056860 29 H 11.169377 11.792659 11.875052 5.788527 7.086793 30 H 11.694282 12.309928 12.181344 6.124263 7.525785 31 H 10.206253 10.812458 10.495817 4.881903 6.207694 32 H 7.798225 8.433625 8.121629 2.581345 3.833823 6 7 8 9 10 6 N 0.000000 7 C 1.388189 0.000000 8 O 2.268204 1.214351 0.000000 9 N 2.396797 1.387511 2.248650 0.000000 10 C 2.754838 2.389533 3.489065 1.372194 0.000000 11 C 2.363468 2.718961 3.933012 2.332263 1.327902 12 H 3.905984 2.538793 2.331934 2.065616 3.287381 13 H 4.230239 3.091276 2.996946 2.701701 3.648873 14 H 5.487743 4.218190 4.154242 3.384299 4.170336 15 H 3.194598 4.342402 5.426423 4.576017 3.805148 16 C 2.973952 4.361067 5.124540 5.152054 4.888953 17 H 3.819562 3.349428 4.349630 2.106504 1.064748 18 Br 4.189965 4.709343 5.923508 4.179316 2.885778 19 H 4.696765 3.712544 4.115261 2.694155 3.006928 20 H 5.491557 4.298842 4.525717 3.145479 3.604069 21 O 2.866382 4.190928 4.688784 5.246714 5.299313 22 C 4.440916 5.822265 6.610940 6.520167 6.082742 23 C 5.347567 6.731205 7.362371 7.586805 7.287480 24 C 6.733541 8.121335 8.789701 8.909325 8.498788 25 C 7.226573 8.601080 9.405255 9.212122 8.609212 26 C 6.543750 7.866897 8.795898 8.299251 7.547811 27 C 5.213114 6.526813 7.472380 6.963492 6.252359 28 H 5.226055 6.567744 7.036556 7.576857 7.470434 29 H 7.506443 8.884756 9.459431 9.759783 9.433533 30 H 8.292658 9.665267 10.473377 10.254696 9.612805 31 H 7.243036 8.511701 9.510868 8.799726 7.916114 32 H 4.940038 6.152532 7.200894 6.391586 5.528826 11 12 13 14 15 11 C 0.000000 12 H 4.369054 0.000000 13 H 4.599520 2.474733 0.000000 14 H 5.393324 2.489466 1.777947 0.000000 15 H 2.480996 6.552899 6.653144 7.730270 0.000000 16 C 3.744126 6.855249 6.970608 8.311642 2.017736 17 H 2.090847 3.619358 3.945186 4.059596 4.499983 18 Br 1.990551 6.153992 6.259523 6.855841 2.465062 19 H 4.113036 3.052171 1.780695 1.778644 6.396040 20 H 4.911284 2.328643 3.569667 2.427619 7.363200 21 O 4.350622 6.691245 6.836882 8.274105 3.128942 22 C 4.827791 8.294801 8.356423 9.686023 2.540754 23 C 6.077657 9.237999 9.288871 10.707036 3.876773 24 C 7.234891 10.619439 10.637869 12.042010 4.865924 25 C 7.294543 11.047911 11.046315 12.360485 4.820415 26 C 6.219978 10.223573 10.226004 11.431177 3.752787 27 C 4.927603 8.882318 8.913808 10.114106 2.447212 28 H 6.358811 9.066079 9.136507 10.616611 4.419885 29 H 8.195931 11.391508 11.406127 12.860561 5.878035 30 H 8.291105 12.104693 12.086305 13.394710 5.810327 31 H 6.599788 10.775535 10.761878 11.877501 4.229289 32 H 4.205496 8.375248 8.412288 9.495290 1.828328 16 17 18 19 20 16 C 0.000000 17 H 5.816548 0.000000 18 Br 4.413459 2.979208 0.000000 19 H 7.219202 2.836508 5.366989 0.000000 20 H 8.212267 3.220022 6.156893 2.927954 0.000000 21 O 1.214260 6.313297 5.387464 7.380481 8.335364 22 C 1.486509 6.914631 4.960055 8.485449 9.524993 23 C 2.436956 8.168241 6.306356 9.588289 10.641648 24 C 3.774076 9.315796 7.160061 10.846854 11.928941 25 C 4.280754 9.314489 6.849381 11.042515 12.129664 26 C 3.791049 8.161592 5.541210 10.036940 11.098818 27 C 2.570621 6.917345 4.465397 8.757907 9.799564 28 H 2.616220 8.423018 6.884916 9.631324 10.660679 29 H 4.609264 10.284674 8.208473 11.721321 12.808547 30 H 5.348903 10.282883 7.715733 12.046483 13.144647 31 H 4.664372 8.413992 5.605553 10.409541 11.456566 32 H 2.798615 6.090896 3.472722 8.075420 9.083971 21 22 23 24 25 21 O 0.000000 22 C 2.322973 0.000000 23 C 2.709162 1.346548 0.000000 24 C 4.148385 2.416812 1.439289 0.000000 25 C 4.954744 2.794681 2.413515 1.344669 0.000000 26 C 4.746435 2.424102 2.787114 2.411327 1.439622 27 C 3.648262 1.450701 2.414198 2.782483 2.410412 28 H 2.378861 2.092856 1.066764 2.176832 3.370600 29 H 4.770830 3.371488 2.172979 1.067922 2.098211 30 H 6.000477 3.862843 3.390329 2.098246 1.068168 31 H 5.701034 3.401273 3.855548 3.369327 2.176464 32 H 3.998030 2.191065 3.376016 3.849365 3.380977 26 27 28 29 30 26 C 0.000000 27 C 1.343503 0.000000 28 H 3.853870 3.389716 0.000000 29 H 3.388741 3.850385 2.494984 0.000000 30 H 2.175855 3.367795 4.262955 2.425758 0.000000 31 H 1.068448 2.096996 4.922296 4.262224 2.496759 32 H 2.086659 1.066908 4.268921 4.917276 4.251236 31 32 31 H 0.000000 32 H 2.408513 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.557381 -0.698723 -0.142850 2 6 0 -5.120430 -0.708441 1.284406 3 8 0 -5.063439 0.416250 -0.849737 4 7 0 0.997735 -0.277282 -0.031270 5 6 0 -0.390393 -0.470437 -0.062421 6 7 0 -0.956733 -1.610444 -0.103568 7 6 0 -2.339508 -1.729069 -0.134057 8 8 0 -2.875623 -2.818184 -0.166584 9 7 0 -3.122432 -0.583688 -0.116171 10 6 0 -2.527878 0.652216 -0.071892 11 6 0 -1.203127 0.739400 -0.044358 12 1 0 -4.826242 -1.629545 -0.635772 13 1 0 -4.716028 -1.558704 1.835490 14 1 0 -6.209637 -0.788289 1.255246 15 1 0 1.276590 0.671561 -0.002655 16 6 0 1.990090 -1.215532 -0.035231 17 1 0 -3.141918 1.521998 -0.060807 18 35 0 -0.340316 2.532120 0.018921 19 1 0 -4.844912 0.216847 1.794503 20 1 0 -6.026995 0.350528 -0.880889 21 8 0 1.794627 -2.413505 -0.068096 22 6 0 3.394970 -0.731243 0.003324 23 6 0 4.389719 -1.638804 0.001890 24 6 0 5.763417 -1.210939 0.039784 25 6 0 6.062319 0.099608 0.075286 26 6 0 5.006430 1.078182 0.077135 27 6 0 3.723368 0.681258 0.042410 28 1 0 4.158179 -2.679746 -0.026628 29 1 0 6.541009 -1.942927 0.037922 30 1 0 7.080548 0.421158 0.103521 31 1 0 5.249260 2.118268 0.106058 32 1 0 2.947110 1.413183 0.043622 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5085266 0.1418702 0.1130266 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1883.1516091268 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= 339 RedAO= T EigKep= 4.35D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999861 0.002418 0.000862 0.016458 Ang= 1.91 deg. 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) = -3457.10317146 A.U. after 16 cycles NFock= 16 Conv=0.22D-08 -V/T= 2.0039 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 0.013713120 -0.027792992 0.006662307 2 6 -0.000181667 0.003506622 -0.002314566 3 8 0.011384565 -0.006613097 -0.004065484 4 7 0.010589740 -0.029634982 -0.002872124 5 6 -0.012724393 0.005431478 0.006472324 6 7 -0.000627750 -0.005658300 0.000396021 7 6 0.035703725 0.010781329 -0.021573718 8 8 -0.028264768 0.001544295 0.016944675 9 7 -0.028431763 0.009612698 0.006041080 10 6 0.012533552 0.002922263 -0.006164306 11 6 -0.030879437 0.018227830 0.016085969 12 1 -0.007984467 0.005218939 0.003491705 13 1 -0.003530767 -0.004812262 -0.000102181 14 1 -0.000688340 0.004812845 0.001664408 15 1 0.000233315 -0.001366919 0.000012487 16 6 0.053428540 0.022353277 -0.032721560 17 1 0.002009326 -0.006064255 -0.001645887 18 35 0.025301495 -0.008267029 -0.013482414 19 1 0.003761737 -0.001312178 -0.003488841 20 1 -0.007261613 0.019139421 0.002089495 21 8 -0.031214435 -0.014638805 0.019270182 22 6 -0.042435147 -0.022841692 0.026286115 23 6 -0.009119566 0.040282017 0.001203847 24 6 0.026964544 -0.023338988 -0.013093570 25 6 -0.021093252 -0.026370855 0.014802456 26 6 0.001156704 0.035218028 -0.004300594 27 6 0.033724706 -0.005516680 -0.018450986 28 1 0.003548088 -0.000147564 -0.002010553 29 1 0.003081553 0.004025397 -0.002102723 30 1 -0.003818383 0.003682904 0.001730854 31 1 -0.004451805 0.000587241 0.002433053 32 1 -0.004427158 -0.002969984 0.002802529 ------------------------------------------------------------------- Cartesian Forces: Max 0.053428540 RMS 0.016481242 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.038352806 RMS 0.007983268 Search for a local minimum. Step number 2 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -3.38D-02 DEPred=-4.39D-02 R= 7.70D-01 TightC=F SS= 1.41D+00 RLast= 3.06D-01 DXNew= 5.0454D-01 9.1842D-01 Trust test= 7.70D-01 RLast= 3.06D-01 DXMaxT set to 5.05D-01 ITU= 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00283 0.01075 0.01270 0.01332 0.01540 Eigenvalues --- 0.01549 0.01592 0.01598 0.01685 0.01778 Eigenvalues --- 0.01819 0.01823 0.01849 0.01973 0.02044 Eigenvalues --- 0.02084 0.02095 0.02116 0.02127 0.02143 Eigenvalues --- 0.02476 0.02496 0.02583 0.02622 0.02671 Eigenvalues --- 0.05273 0.05646 0.05677 0.05695 0.07959 Eigenvalues --- 0.11473 0.15851 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16035 0.17258 0.19628 0.21999 Eigenvalues --- 0.22000 0.22708 0.23456 0.23513 0.23958 Eigenvalues --- 0.24999 0.25000 0.25000 0.25000 0.25000 Eigenvalues --- 0.25000 0.25000 0.28793 0.31896 0.33728 Eigenvalues --- 0.33746 0.33813 0.34088 0.34564 0.34715 Eigenvalues --- 0.35143 0.35273 0.38148 0.38371 0.38404 Eigenvalues --- 0.38437 0.38531 0.38653 0.40551 0.41089 Eigenvalues --- 0.42168 0.43967 0.44591 0.46576 0.48267 Eigenvalues --- 0.50181 0.52618 0.55908 0.56111 0.57280 Eigenvalues --- 0.57845 0.68016 0.72481 0.84970 0.88861 RFO step: Lambda=-4.54118223D-02 EMin= 2.82526659D-03 Quartic linear search produced a step of 0.68052. Iteration 1 RMS(Cart)= 0.06255607 RMS(Int)= 0.01298275 Iteration 2 RMS(Cart)= 0.01315965 RMS(Int)= 0.00086316 Iteration 3 RMS(Cart)= 0.00003357 RMS(Int)= 0.00086303 Iteration 4 RMS(Cart)= 0.00000002 RMS(Int)= 0.00086303 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.89947 -0.00428 -0.00285 -0.01949 -0.02234 2.87713 R2 2.67177 -0.01086 -0.01719 -0.02973 -0.04691 2.62486 R3 2.72083 0.01020 0.01015 0.03145 0.04160 2.76243 R4 2.05424 -0.00758 -0.01440 -0.02526 -0.03966 2.01457 R5 2.06161 -0.00577 -0.01069 -0.01943 -0.03013 2.03148 R6 2.06456 -0.00490 -0.00907 -0.01651 -0.02557 2.03899 R7 2.06341 -0.00504 -0.00989 -0.01675 -0.02664 2.03677 R8 1.82604 -0.02057 -0.02879 -0.04633 -0.07511 1.75092 R9 2.64911 -0.02625 -0.00733 -0.08297 -0.09030 2.55881 R10 1.86966 -0.00017 0.00478 -0.00299 0.00178 1.87145 R11 2.58077 0.01226 0.03214 0.01497 0.04711 2.62789 R12 2.40675 -0.00106 -0.00050 -0.00170 -0.00212 2.40463 R13 2.75444 -0.00380 -0.01628 -0.00669 -0.02295 2.73150 R14 2.62330 -0.01199 -0.01251 -0.03241 -0.04487 2.57842 R15 2.29479 -0.03277 -0.02796 -0.04072 -0.06867 2.22612 R16 2.62202 0.00408 -0.00454 0.01437 0.00981 2.63183 R17 2.59307 -0.01375 -0.02074 -0.03227 -0.05307 2.54000 R18 2.50937 0.00317 -0.00293 0.00992 0.00694 2.51631 R19 2.01208 0.00320 0.00631 0.00897 0.01528 2.02737 R20 3.76160 -0.02956 -0.09236 -0.26736 -0.35972 3.40188 R21 2.29462 -0.03835 -0.02783 -0.05041 -0.07825 2.21637 R22 2.80910 0.01353 0.01273 0.04939 0.06211 2.87121 R23 2.54461 0.02194 0.01793 0.04645 0.06434 2.60895 R24 2.74143 -0.02111 -0.02597 -0.07231 -0.09823 2.64320 R25 2.71986 -0.02517 -0.03052 -0.08445 -0.11506 2.60481 R26 2.01589 0.00405 0.00737 0.01171 0.01907 2.03497 R27 2.54106 0.01933 0.01737 0.03937 0.05669 2.59774 R28 2.01808 0.00526 0.00931 0.01529 0.02459 2.04267 R29 2.72049 -0.02392 -0.02839 -0.08048 -0.10884 2.61166 R30 2.01854 0.00542 0.00971 0.01572 0.02543 2.04397 R31 2.53885 0.01900 0.01541 0.03990 0.05539 2.59425 R32 2.01908 0.00502 0.00922 0.01446 0.02368 2.04276 R33 2.01616 0.00497 0.01058 0.01348 0.02406 2.04023 A1 1.91636 0.00525 0.01766 0.04788 0.06628 1.98265 A2 1.92730 0.00575 0.02110 0.03508 0.05766 1.98496 A3 1.90246 0.00029 0.00319 0.02973 0.03337 1.93583 A4 1.87862 -0.00787 -0.02892 -0.05360 -0.08555 1.79307 A5 1.93910 0.00031 0.00105 -0.00345 -0.00929 1.92981 A6 1.90002 -0.00378 -0.01348 -0.05695 -0.07285 1.82717 A7 1.91643 0.00116 0.00397 0.00818 0.01203 1.92846 A8 1.91930 0.00137 0.00640 0.00707 0.01338 1.93268 A9 1.91410 0.00166 0.00272 0.01399 0.01655 1.93064 A10 1.90295 -0.00177 -0.00620 -0.01556 -0.02180 1.88116 A11 1.90809 -0.00089 -0.00213 -0.00257 -0.00490 1.90318 A12 1.90283 -0.00159 -0.00483 -0.01148 -0.01642 1.88640 A13 1.89589 0.00009 -0.00905 0.00330 -0.00575 1.89014 A14 1.99530 -0.00009 -0.05389 0.01642 -0.03747 1.95784 A15 2.24567 -0.00240 0.09083 -0.04822 0.04261 2.28827 A16 2.04221 0.00248 -0.03694 0.03180 -0.00514 2.03708 A17 2.17047 -0.01350 0.04669 -0.09323 -0.04659 2.12389 A18 2.02360 0.00733 -0.04222 0.05621 0.01395 2.03755 A19 2.08911 0.00617 -0.00447 0.03701 0.03264 2.12175 A20 2.11781 0.00137 0.00411 0.00534 0.00963 2.12744 A21 2.11413 0.00746 0.01450 0.03605 0.05044 2.16457 A22 2.08431 -0.00655 -0.00588 -0.03566 -0.04158 2.04273 A23 2.08471 -0.00092 -0.00865 -0.00053 -0.00926 2.07545 A24 2.08998 -0.00608 -0.00661 -0.02964 -0.03621 2.05376 A25 2.09947 0.00000 0.00102 0.00059 0.00165 2.10111 A26 2.09374 0.00608 0.00559 0.02905 0.03456 2.12830 A27 2.08525 0.00232 -0.00203 0.01488 0.01273 2.09798 A28 2.07855 -0.00688 -0.01390 -0.04813 -0.06200 2.01655 A29 2.11938 0.00456 0.01593 0.03324 0.04919 2.16858 A30 2.09614 -0.00938 0.00267 -0.05063 -0.04799 2.04815 A31 2.10161 0.01226 -0.00020 0.06627 0.06607 2.16769 A32 2.08543 -0.00288 -0.00247 -0.01565 -0.01811 2.06731 A33 2.16628 -0.00759 0.04773 -0.06059 -0.01286 2.15343 A34 2.05199 -0.00646 -0.04519 -0.01729 -0.06247 1.98951 A35 2.06491 0.01406 -0.00254 0.07788 0.07533 2.14025 A36 2.06982 -0.00780 -0.00584 -0.04073 -0.04657 2.02325 A37 2.13158 0.01090 0.00810 0.05595 0.06404 2.19562 A38 2.08179 -0.00309 -0.00226 -0.01522 -0.01747 2.06432 A39 2.09981 0.00169 0.00037 0.01045 0.01070 2.11051 A40 2.09135 -0.00134 -0.00042 -0.00900 -0.00936 2.08199 A41 2.09202 -0.00036 0.00006 -0.00145 -0.00133 2.09069 A42 2.09738 0.00023 0.00100 0.00006 0.00092 2.09830 A43 2.08420 -0.00170 -0.00642 -0.01084 -0.01719 2.06701 A44 2.10160 0.00148 0.00542 0.01078 0.01627 2.11787 A45 2.09381 -0.00028 0.00003 -0.00319 -0.00317 2.09063 A46 2.10132 0.00146 0.00503 0.01056 0.01560 2.11691 A47 2.08806 -0.00119 -0.00506 -0.00737 -0.01242 2.07564 A48 2.09393 0.00043 -0.00127 0.00221 0.00106 2.09499 A49 2.08868 -0.00118 -0.00362 -0.00750 -0.01118 2.07750 A50 2.10058 0.00075 0.00489 0.00528 0.01011 2.11069 A51 2.09965 0.00102 0.00215 0.00568 0.00797 2.10762 A52 2.09820 0.00291 0.00113 0.02345 0.02451 2.12271 A53 2.08534 -0.00393 -0.00327 -0.02914 -0.03248 2.05286 D1 -3.12398 0.00191 0.00820 0.01594 0.02361 -3.10036 D2 1.06530 0.00251 0.00940 0.02559 0.03453 1.09983 D3 -1.02699 0.00258 0.00971 0.02660 0.03586 -0.99113 D4 -1.05515 -0.00099 -0.00390 0.00114 -0.00226 -1.05741 D5 3.13413 -0.00039 -0.00270 0.01079 0.00865 -3.14040 D6 1.04184 -0.00033 -0.00238 0.01180 0.00998 1.05182 D7 1.03135 -0.00197 -0.00582 -0.02894 -0.03486 0.99649 D8 -1.06256 -0.00136 -0.00462 -0.01929 -0.02395 -1.08650 D9 3.12834 -0.00130 -0.00431 -0.01828 -0.02262 3.10572 D10 -1.04881 0.00024 -0.00001 -0.01489 -0.01639 -1.06520 D11 3.13573 -0.00502 -0.01887 -0.05273 -0.06965 3.06608 D12 1.05704 0.00428 0.01596 0.05180 0.06730 1.12435 D13 1.62080 -0.00176 -0.00436 -0.02626 -0.03036 1.59043 D14 -1.51968 -0.00165 -0.00469 -0.02321 -0.02766 -1.54734 D15 -2.57066 0.00314 0.01224 0.01945 0.02827 -2.54239 D16 0.57204 0.00325 0.01192 0.02251 0.03098 0.60302 D17 -0.46717 -0.00324 -0.01284 -0.04849 -0.05813 -0.52530 D18 2.67553 -0.00313 -0.01316 -0.04543 -0.05542 2.62011 D19 3.13934 -0.00001 -0.00027 -0.00047 -0.00076 3.13858 D20 -0.00290 -0.00005 -0.00019 -0.00143 -0.00160 -0.00450 D21 -0.00245 0.00000 -0.00029 -0.00017 -0.00049 -0.00293 D22 3.13850 -0.00004 -0.00021 -0.00114 -0.00132 3.13717 D23 -0.00005 -0.00007 -0.00029 -0.00187 -0.00214 -0.00220 D24 3.14158 -0.00002 0.00003 -0.00036 -0.00034 3.14124 D25 3.14134 -0.00006 -0.00031 -0.00157 -0.00186 3.13947 D26 -0.00021 -0.00001 0.00002 -0.00006 -0.00006 -0.00028 D27 -3.14038 0.00005 0.00071 0.00114 0.00203 -3.13835 D28 0.00188 0.00010 0.00064 0.00213 0.00292 0.00480 D29 3.14118 -0.00013 -0.00048 -0.00364 -0.00412 3.13706 D30 0.00116 0.00009 0.00019 0.00233 0.00276 0.00392 D31 -0.00103 -0.00019 -0.00038 -0.00461 -0.00499 -0.00602 D32 -3.14105 0.00004 0.00030 0.00136 0.00189 -3.13916 D33 -3.13517 0.00072 0.00378 0.02021 0.02456 -3.11061 D34 -0.00274 0.00013 -0.00088 0.00279 0.00178 -0.00096 D35 -3.13781 -0.00012 0.00053 -0.00223 -0.00163 -3.13944 D36 0.00267 -0.00024 0.00085 -0.00530 -0.00440 -0.00173 D37 -0.00523 -0.00066 -0.00402 -0.01916 -0.02286 -0.02809 D38 3.13526 -0.00078 -0.00370 -0.02222 -0.02564 3.10962 D39 3.13862 0.00001 -0.00028 -0.00036 -0.00069 3.13793 D40 -0.00343 -0.00046 -0.00184 -0.01189 -0.01333 -0.01676 D41 -0.00186 0.00013 -0.00060 0.00274 0.00218 0.00033 D42 3.13927 -0.00034 -0.00216 -0.00879 -0.01045 3.12882 D43 0.00100 0.00007 0.00035 0.00203 0.00231 0.00331 D44 3.14104 -0.00014 -0.00031 -0.00381 -0.00408 3.13696 D45 -3.14012 0.00056 0.00191 0.01386 0.01614 -3.12398 D46 -0.00008 0.00034 0.00125 0.00802 0.00974 0.00966 D47 3.14013 -0.00003 -0.00014 -0.00076 -0.00092 3.13921 D48 -0.00129 -0.00004 -0.00018 -0.00101 -0.00121 -0.00250 D49 -0.00142 0.00002 0.00018 0.00066 0.00086 -0.00056 D50 3.14035 0.00001 0.00015 0.00041 0.00057 3.14092 D51 -3.14059 -0.00003 -0.00013 -0.00083 -0.00096 -3.14156 D52 0.00009 0.00000 0.00002 0.00007 0.00009 0.00017 D53 0.00083 -0.00002 -0.00010 -0.00058 -0.00068 0.00014 D54 3.14151 0.00001 0.00005 0.00032 0.00037 -3.14131 D55 3.14111 0.00002 0.00006 0.00039 0.00046 3.14156 D56 -0.00067 0.00001 0.00002 0.00015 0.00017 -0.00050 D57 -0.00031 0.00001 0.00003 0.00014 0.00016 -0.00015 D58 3.14110 -0.00000 -0.00001 -0.00010 -0.00012 3.14098 D59 -0.00139 0.00005 0.00020 0.00119 0.00138 -0.00001 D60 -3.14137 0.00000 0.00001 0.00001 0.00003 -3.14134 D61 3.14112 0.00001 0.00005 0.00029 0.00033 3.14145 D62 0.00114 -0.00003 -0.00014 -0.00088 -0.00102 0.00011 D63 0.00137 -0.00005 -0.00020 -0.00129 -0.00149 -0.00013 D64 3.14154 0.00000 -0.00000 -0.00000 -0.00000 3.14154 D65 3.14133 -0.00000 -0.00002 -0.00011 -0.00013 3.14120 D66 -0.00168 0.00005 0.00018 0.00117 0.00136 -0.00032 D67 -0.00084 0.00003 0.00013 0.00084 0.00097 0.00012 D68 3.14090 0.00004 0.00014 0.00089 0.00102 -3.14126 D69 -3.14103 -0.00002 -0.00007 -0.00045 -0.00051 -3.14154 D70 0.00072 -0.00001 -0.00007 -0.00039 -0.00046 0.00026 D71 0.00029 -0.00001 -0.00004 -0.00023 -0.00027 0.00002 D72 -3.14112 0.00000 0.00000 0.00000 -0.00001 -3.14113 D73 -3.14146 -0.00001 -0.00004 -0.00028 -0.00033 3.14140 D74 0.00032 -0.00000 -0.00001 -0.00005 -0.00006 0.00026 Item Value Threshold Converged? Maximum Force 0.038353 0.000450 NO RMS Force 0.007983 0.000300 NO Maximum Displacement 0.314235 0.001800 NO RMS Displacement 0.066347 0.001200 NO Predicted change in Energy=-2.071121D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.676608 -6.502465 1.325089 2 6 0 7.562279 -6.946077 2.481305 3 8 0 5.534810 -7.278091 1.169939 4 7 0 4.728299 -1.400040 1.867857 5 6 0 5.241426 -2.643904 1.716213 6 7 0 6.345913 -2.842832 1.116443 7 6 0 6.864952 -4.094714 0.958029 8 8 0 7.897109 -4.319129 0.436493 9 7 0 6.131866 -5.155351 1.484577 10 6 0 4.964950 -4.965174 2.123924 11 6 0 4.474098 -3.736121 2.270817 12 1 0 7.230008 -6.464244 0.414712 13 1 0 8.407380 -6.289257 2.581535 14 1 0 7.938179 -7.943485 2.313700 15 1 0 3.864373 -1.408530 2.351913 16 6 0 5.207000 -0.158130 1.464967 17 1 0 4.480845 -5.854928 2.477416 18 35 0 2.904019 -3.536603 3.128574 19 1 0 7.007286 -6.948591 3.405238 20 1 0 5.796659 -8.149637 0.995772 21 8 0 6.216934 -0.012406 0.886708 22 6 0 4.304296 1.004135 1.842826 23 6 0 4.743298 2.257155 1.464321 24 6 0 4.004654 3.384131 1.754714 25 6 0 2.812267 3.274974 2.429996 26 6 0 2.354469 2.030006 2.817912 27 6 0 3.089410 0.907019 2.529147 28 1 0 5.676330 2.350789 0.934884 29 1 0 4.386244 4.344989 1.439175 30 1 0 2.218864 4.147719 2.666843 31 1 0 1.415124 1.958238 3.348007 32 1 0 2.695054 -0.045447 2.849955 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.522511 0.000000 3 O 1.389017 2.437323 0.000000 4 N 5.488647 6.258297 5.974029 0.000000 5 C 4.135362 4.947769 4.675487 1.354065 0.000000 6 N 3.680463 4.492106 4.509132 2.294111 1.272473 7 C 2.442841 3.307099 3.456598 3.557294 2.305544 8 O 2.654465 3.345777 3.856664 4.539960 3.390681 9 N 1.461812 2.499249 2.227441 4.027315 2.674679 10 C 2.435400 3.286003 2.566011 3.582144 2.372965 11 C 3.660343 4.459258 3.857796 2.384170 1.445447 12 H 1.066067 2.147877 2.026428 5.832352 4.499262 13 H 2.149345 1.075013 3.349933 6.160310 4.905166 14 H 2.155331 1.078988 2.743560 7.301971 5.976206 15 H 5.908570 6.660005 6.216040 0.990328 1.956153 16 C 6.513824 7.256481 7.133606 1.390617 2.498676 17 H 2.562915 3.268922 2.201301 4.503202 3.386531 18 Br 5.126531 5.808859 4.975544 3.079335 2.873177 19 H 2.152997 1.077811 2.696908 6.192232 4.949889 20 H 1.896295 2.602457 0.926548 6.889048 5.580360 21 O 6.521069 7.240752 7.303128 2.259251 2.926512 22 C 7.889548 8.615566 8.400131 2.441406 3.768611 23 C 8.971512 9.678863 9.572568 3.679421 4.932743 24 C 10.250303 10.949787 10.787322 4.839913 6.153722 25 C 10.571295 11.270987 10.971197 5.083595 6.437656 26 C 9.680520 10.382902 9.973517 4.278188 5.603008 27 C 8.319747 9.037696 8.650054 2.906163 4.230967 28 H 8.918124 9.611449 9.632788 3.979689 5.074108 29 H 11.087202 11.775458 11.682794 5.771146 7.046468 30 H 11.623175 12.314983 11.991053 6.141113 7.494379 31 H 10.166558 10.854746 10.345315 4.944290 6.203470 32 H 7.737640 8.452483 7.949704 2.633159 3.810690 6 7 8 9 10 6 N 0.000000 7 C 1.364444 0.000000 8 O 2.246774 1.178011 0.000000 9 N 2.351401 1.392702 2.216716 0.000000 10 C 2.725145 2.393119 3.444177 1.344108 0.000000 11 C 2.373654 2.751033 3.927040 2.319608 1.331572 12 H 3.793240 2.458277 2.246557 2.015868 3.209221 13 H 4.274809 3.135422 2.956854 2.768939 3.716575 14 H 5.475893 4.219324 4.081857 3.424018 4.212653 15 H 3.121161 4.261686 5.329482 4.464579 3.730008 16 C 2.937042 4.301452 5.060470 5.082124 4.858033 17 H 3.795188 3.330294 4.265549 2.049636 1.072836 18 Br 4.046804 4.551015 5.726307 3.967627 2.701401 19 H 4.746920 3.762140 4.064394 2.769658 3.121994 20 H 5.336518 4.193456 4.404257 3.052383 3.479263 21 O 2.842661 4.134036 4.644732 5.178278 5.256242 22 C 4.415313 5.773915 6.574437 6.434876 6.012332 23 C 5.357169 6.715951 7.365492 7.541471 7.255773 24 C 6.683110 8.046685 8.730929 8.804588 8.412454 25 C 7.186072 8.538341 9.354148 9.109553 8.522193 26 C 6.524659 7.830442 8.758055 8.226535 7.498585 27 C 5.163518 6.460686 7.403093 6.862944 6.177742 28 H 5.239752 6.554226 7.047557 7.540015 7.446019 29 H 7.457160 8.809318 9.402047 9.659489 9.353230 30 H 8.264628 9.614774 10.435729 10.161518 9.533130 31 H 7.234834 8.488277 9.481475 8.736313 7.876120 32 H 4.915200 6.112610 7.151960 6.307698 5.466558 11 12 13 14 15 11 C 0.000000 12 H 4.299164 0.000000 13 H 4.699548 2.472235 0.000000 14 H 5.450102 2.509147 1.740217 0.000000 15 H 2.407492 6.374988 6.671816 7.700844 0.000000 16 C 3.740128 6.705421 7.005703 8.294061 2.037846 17 H 2.128867 3.490545 3.951855 4.042527 4.490685 18 Br 1.800195 5.886450 6.177648 6.739984 2.460524 19 H 4.245458 3.037671 1.753131 1.745804 6.455979 20 H 4.780589 2.287503 3.576524 2.523002 7.142504 21 O 4.338120 6.547923 6.860711 8.240207 3.103309 22 C 4.762566 8.147145 8.400867 9.668854 2.504726 23 C 6.053285 9.129524 9.365620 10.722956 3.872670 24 C 7.154350 10.449354 10.660304 12.004165 4.831762 25 C 7.207113 10.882563 11.081642 12.334599 4.800858 26 C 6.167687 10.084569 10.290955 11.441266 3.784243 27 C 4.852096 8.714981 8.948181 10.093978 2.448213 28 H 6.346696 8.966008 9.209804 10.629637 4.407226 29 H 8.124265 11.223904 11.426361 12.821374 5.848797 30 H 8.209619 11.949787 12.134063 13.380303 5.803343 31 H 6.553120 10.646844 10.839755 11.902275 4.280905 32 H 4.137810 8.227828 8.466869 9.495100 1.863692 16 17 18 19 20 16 C 0.000000 17 H 5.831455 0.000000 18 Br 4.414226 2.878371 0.000000 19 H 7.288075 2.905142 5.343687 0.000000 20 H 8.026956 3.031884 5.847759 2.951890 0.000000 21 O 1.172854 6.299160 5.331166 7.421476 8.148806 22 C 1.519379 6.890619 4.922624 8.543602 9.313227 23 C 2.459395 8.179312 6.302406 9.676702 10.470455 24 C 3.751960 9.279509 7.141110 10.886008 11.696798 25 C 4.295606 9.281246 6.847921 11.093717 11.894761 26 C 3.841267 8.173714 5.602290 10.129603 10.899266 27 C 2.598309 6.903818 4.487701 8.822011 9.576191 28 H 2.606901 8.434595 6.867268 9.713525 10.501292 29 H 4.577378 10.253059 8.195765 11.759260 12.581795 30 H 5.377155 10.256968 7.728612 12.107944 12.915806 31 H 4.733199 8.438136 5.697213 10.516993 11.264989 32 H 2.870673 6.089163 3.508485 8.158251 8.873321 21 22 23 24 25 21 O 0.000000 22 C 2.367637 0.000000 23 C 2.766975 1.380597 0.000000 24 C 4.145369 2.400402 1.378404 0.000000 25 C 4.977989 2.779862 2.386915 1.374667 0.000000 26 C 4.776990 2.409363 2.755051 2.384775 1.382029 27 C 3.650254 1.398720 2.385805 2.752000 2.386180 28 H 2.424720 2.126103 1.076857 2.129418 3.360408 29 H 4.758523 3.366148 2.118294 1.080937 2.145708 30 H 6.038219 3.861366 3.375360 2.145715 1.081622 31 H 5.744459 3.394583 3.835930 3.358187 2.128038 32 H 4.032254 2.169238 3.378944 3.831007 3.348926 26 27 28 29 30 26 C 0.000000 27 C 1.372816 0.000000 28 H 3.831900 3.364269 0.000000 29 H 3.374636 3.832683 2.428058 0.000000 30 H 2.127421 3.358415 4.264119 2.498724 0.000000 31 H 1.080981 2.139819 4.912752 4.262367 2.429776 32 H 2.103457 1.079642 4.277553 4.911859 4.224089 31 32 31 H 0.000000 32 H 2.429204 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.500588 -0.680379 -0.139714 2 6 0 -5.137976 -0.749311 1.241237 3 8 0 -4.894221 0.427636 -0.879122 4 7 0 0.973811 -0.301202 -0.028228 5 6 0 -0.373411 -0.434499 -0.055001 6 7 0 -0.931310 -1.577285 -0.099446 7 6 0 -2.288301 -1.716317 -0.130314 8 8 0 -2.844362 -2.754769 -0.141403 9 7 0 -3.045143 -0.547390 -0.109882 10 6 0 -2.474434 0.668516 -0.059966 11 6 0 -1.148367 0.785365 -0.028713 12 1 0 -4.678866 -1.578077 -0.686387 13 1 0 -4.768712 -1.600536 1.784113 14 1 0 -6.209579 -0.848003 1.162862 15 1 0 1.254988 0.647862 0.002855 16 6 0 1.987167 -1.253485 -0.037298 17 1 0 -3.153883 1.498772 -0.060820 18 35 0 -0.434167 2.436764 0.030470 19 1 0 -4.924613 0.145550 1.802821 20 1 0 -5.811473 0.384038 -1.002577 21 8 0 1.786915 -2.408637 -0.070632 22 6 0 3.387664 -0.665663 0.002511 23 6 0 4.424974 -1.576714 -0.002057 24 6 0 5.737225 -1.156197 0.031993 25 6 0 6.033058 0.185686 0.071236 26 6 0 5.009638 1.114443 0.076337 27 6 0 3.702395 0.696602 0.042438 28 1 0 4.201248 -2.629625 -0.032834 29 1 0 6.517615 -1.904119 0.026736 30 1 0 7.056442 0.534764 0.098378 31 1 0 5.256117 2.166500 0.107051 32 1 0 2.934162 1.455166 0.047367 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5341263 0.1440674 0.1156242 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1911.6845616349 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= 339 RedAO= T EigKep= 4.03D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999990 -0.001884 0.001138 -0.003987 Ang= -0.52 deg. 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) = -3457.11115145 A.U. after 16 cycles NFock= 16 Conv=0.58D-08 -V/T= 2.0036 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 -0.008136658 0.010411319 -0.001473191 2 6 -0.006114833 0.003092496 -0.002149452 3 8 -0.005073033 0.005084068 0.005803656 4 7 -0.014162521 0.006339446 0.007300179 5 6 0.004760948 -0.008644201 -0.001750896 6 7 0.008624400 0.002672629 -0.007632770 7 6 -0.023795830 0.010976425 0.018182129 8 8 0.033921609 -0.005038987 -0.018570702 9 7 0.006683923 -0.006156831 0.005200158 10 6 0.009855773 -0.006994992 -0.003766772 11 6 0.025332920 -0.004604280 -0.013674708 12 1 0.006716765 -0.002491658 -0.006033216 13 1 0.003854923 0.004422090 -0.000662827 14 1 0.000864348 -0.004937905 -0.002550366 15 1 -0.000222244 0.005787338 -0.000420632 16 6 -0.023522273 -0.003108936 0.013561680 17 1 -0.001308891 0.005108880 0.000361948 18 35 -0.045402562 0.009217894 0.024458031 19 1 -0.003114884 0.000155418 0.004617586 20 1 0.003410779 -0.026459629 -0.005158173 21 8 0.020346800 0.007532720 -0.012195404 22 6 0.000055023 -0.007012940 0.000645281 23 6 0.009373844 0.001847098 -0.005416623 24 6 0.006734934 0.011327971 -0.004972101 25 6 -0.008775797 0.008106297 0.004024273 26 6 -0.008931687 0.004325474 0.004509801 27 6 0.004898787 -0.015248333 -0.001117448 28 1 -0.002462354 -0.001826257 0.001566442 29 1 -0.003780450 -0.002597727 0.002397567 30 1 0.004226085 -0.002306603 -0.002114929 31 1 0.004295866 -0.002605723 -0.002106858 32 1 0.000846290 0.003627439 -0.000861663 ------------------------------------------------------------------- Cartesian Forces: Max 0.045402562 RMS 0.010516302 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.052274216 RMS 0.007485286 Search for a local minimum. Step number 3 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 3 DE= -7.98D-03 DEPred=-2.07D-02 R= 3.85D-01 Trust test= 3.85D-01 RLast= 5.65D-01 DXMaxT set to 5.05D-01 ITU= 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00283 0.01075 0.01269 0.01332 0.01517 Eigenvalues --- 0.01550 0.01592 0.01597 0.01680 0.01780 Eigenvalues --- 0.01782 0.01814 0.01833 0.01947 0.02050 Eigenvalues --- 0.02078 0.02108 0.02114 0.02129 0.02156 Eigenvalues --- 0.02476 0.02537 0.02579 0.02626 0.02673 Eigenvalues --- 0.04811 0.05082 0.05516 0.05559 0.08856 Eigenvalues --- 0.14957 0.15679 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16004 0.16613 0.18330 0.20845 0.21126 Eigenvalues --- 0.22000 0.22060 0.23469 0.23658 0.24160 Eigenvalues --- 0.24991 0.24999 0.25000 0.25000 0.25000 Eigenvalues --- 0.25000 0.25706 0.28680 0.31645 0.33728 Eigenvalues --- 0.33746 0.33803 0.34030 0.34667 0.34949 Eigenvalues --- 0.35122 0.35235 0.38319 0.38373 0.38415 Eigenvalues --- 0.38438 0.38540 0.38655 0.40386 0.41316 Eigenvalues --- 0.42290 0.44120 0.45516 0.46423 0.49431 Eigenvalues --- 0.50350 0.52691 0.55793 0.56085 0.56740 Eigenvalues --- 0.58075 0.68064 0.72718 0.87768 0.91288 RFO step: Lambda=-6.64593748D-03 EMin= 2.82532580D-03 Quartic linear search produced a step of -0.38862. Iteration 1 RMS(Cart)= 0.04587435 RMS(Int)= 0.00122471 Iteration 2 RMS(Cart)= 0.00154222 RMS(Int)= 0.00024421 Iteration 3 RMS(Cart)= 0.00000107 RMS(Int)= 0.00024420 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00024420 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87713 -0.00399 0.00868 -0.01688 -0.00820 2.86893 R2 2.62486 0.01323 0.01823 0.00067 0.01890 2.64376 R3 2.76243 0.00788 -0.01617 0.02747 0.01130 2.77373 R4 2.01457 0.00855 0.01541 -0.00094 0.01447 2.02904 R5 2.03148 0.00567 0.01171 -0.00211 0.00959 2.04107 R6 2.03899 0.00526 0.00994 -0.00099 0.00895 2.04794 R7 2.03677 0.00556 0.01035 -0.00094 0.00941 2.04618 R8 1.75092 0.02682 0.02919 0.00324 0.03243 1.78335 R9 2.55881 0.01777 0.03509 -0.00826 0.02683 2.58565 R10 1.87145 -0.00006 -0.00069 0.00111 0.00041 1.87186 R11 2.62789 0.00358 -0.01831 0.02356 0.00525 2.63313 R12 2.40463 0.01300 0.00083 0.00984 0.01064 2.41526 R13 2.73150 0.00715 0.00892 0.00213 0.01106 2.74256 R14 2.57842 0.00448 0.01744 -0.01121 0.00619 2.58461 R15 2.22612 0.03890 0.02669 0.00083 0.02752 2.25364 R16 2.63183 0.01207 -0.00381 0.01803 0.01420 2.64602 R17 2.54000 0.00861 0.02063 -0.01009 0.01055 2.55055 R18 2.51631 0.01460 -0.00270 0.01683 0.01417 2.53048 R19 2.02737 -0.00353 -0.00594 0.00068 -0.00526 2.02211 R20 3.40188 0.05227 0.13979 0.07298 0.21277 3.61465 R21 2.21637 0.02447 0.03041 -0.01215 0.01825 2.23463 R22 2.87121 -0.00652 -0.02414 0.01270 -0.01144 2.85977 R23 2.60895 0.00870 -0.02500 0.03271 0.00772 2.61667 R24 2.64320 -0.00284 0.03817 -0.04335 -0.00520 2.63800 R25 2.60481 0.00804 0.04471 -0.03140 0.01335 2.61816 R26 2.03497 -0.00306 -0.00741 0.00286 -0.00455 2.03041 R27 2.59774 0.00727 -0.02203 0.02874 0.00674 2.60448 R28 2.04267 -0.00434 -0.00956 0.00305 -0.00650 2.03617 R29 2.61166 0.00742 0.04230 -0.03005 0.01223 2.62389 R30 2.04397 -0.00464 -0.00988 0.00293 -0.00695 2.03702 R31 2.59425 0.00895 -0.02153 0.02954 0.00798 2.60222 R32 2.04276 -0.00459 -0.00920 0.00232 -0.00689 2.03587 R33 2.04023 -0.00377 -0.00935 0.00395 -0.00540 2.03482 A1 1.98265 -0.00821 -0.02576 0.00572 -0.01986 1.96279 A2 1.98496 -0.01252 -0.02241 -0.01005 -0.03296 1.95201 A3 1.93583 0.00282 -0.01297 0.00658 -0.00687 1.92896 A4 1.79307 0.01781 0.03324 0.02820 0.06241 1.85548 A5 1.92981 -0.00061 0.00361 -0.00256 0.00298 1.93279 A6 1.82717 0.00222 0.02831 -0.02973 -0.00120 1.82597 A7 1.92846 -0.00186 -0.00468 -0.00153 -0.00618 1.92228 A8 1.93268 -0.00245 -0.00520 -0.00388 -0.00908 1.92360 A9 1.93064 0.00043 -0.00643 0.01035 0.00398 1.93463 A10 1.88116 0.00191 0.00847 -0.00590 0.00253 1.88368 A11 1.90318 0.00092 0.00191 0.00337 0.00536 1.90854 A12 1.88640 0.00119 0.00638 -0.00275 0.00368 1.89009 A13 1.89014 0.00761 0.00224 0.02438 0.02661 1.91675 A14 1.95784 0.00977 0.01456 0.01009 0.02465 1.98249 A15 2.28827 -0.00867 -0.01656 0.00395 -0.01261 2.27566 A16 2.03708 -0.00110 0.00200 -0.01404 -0.01204 2.02503 A17 2.12389 -0.00285 0.01810 -0.01925 -0.00111 2.12278 A18 2.03755 0.00126 -0.00542 0.00323 -0.00215 2.03539 A19 2.12175 0.00159 -0.01268 0.01602 0.00326 2.12501 A20 2.12744 0.00253 -0.00374 0.00998 0.00605 2.13349 A21 2.16457 -0.00273 -0.01960 0.01508 -0.00456 2.16001 A22 2.04273 -0.00012 0.01616 -0.01752 -0.00158 2.04115 A23 2.07545 0.00291 0.00360 0.00300 0.00657 2.08202 A24 2.05376 0.00039 0.01407 -0.01314 0.00091 2.05467 A25 2.10111 0.00384 -0.00064 0.01040 0.00973 2.11084 A26 2.12830 -0.00423 -0.01343 0.00266 -0.01089 2.11741 A27 2.09798 0.00708 -0.00495 0.02301 0.01805 2.11603 A28 2.01655 0.00045 0.02409 -0.02223 0.00185 2.01840 A29 2.16858 -0.00753 -0.01912 -0.00097 -0.02008 2.14849 A30 2.04815 -0.00685 0.01865 -0.03425 -0.01562 2.03253 A31 2.16769 -0.00246 -0.02568 0.01929 -0.00640 2.16129 A32 2.06731 0.00931 0.00704 0.01486 0.02188 2.08920 A33 2.15343 0.00310 0.00500 0.00805 0.01305 2.16648 A34 1.98951 0.00389 0.02428 -0.01989 0.00439 1.99390 A35 2.14025 -0.00699 -0.02928 0.01184 -0.01744 2.12281 A36 2.02325 -0.00101 0.01810 -0.02066 -0.00256 2.02069 A37 2.19562 -0.00197 -0.02489 0.02087 -0.00401 2.19161 A38 2.06432 0.00298 0.00679 -0.00021 0.00657 2.07088 A39 2.11051 -0.00028 -0.00416 0.00371 -0.00039 2.11011 A40 2.08199 -0.00146 0.00364 -0.00944 -0.00583 2.07616 A41 2.09069 0.00174 0.00052 0.00573 0.00622 2.09691 A42 2.09830 -0.00205 -0.00036 -0.00425 -0.00454 2.09376 A43 2.06701 0.00390 0.00668 0.00488 0.01153 2.07854 A44 2.11787 -0.00185 -0.00632 -0.00064 -0.00699 2.11088 A45 2.09063 -0.00055 0.00123 -0.00207 -0.00082 2.08981 A46 2.11691 -0.00225 -0.00606 -0.00169 -0.00776 2.10915 A47 2.07564 0.00280 0.00483 0.00376 0.00858 2.08422 A48 2.09499 0.00146 -0.00041 0.00417 0.00371 2.09870 A49 2.07750 0.00227 0.00434 0.00387 0.00824 2.08574 A50 2.11069 -0.00372 -0.00393 -0.00804 -0.01195 2.09874 A51 2.10762 -0.00156 -0.00310 -0.00136 -0.00452 2.10310 A52 2.12271 0.00146 -0.00953 0.01547 0.00598 2.12868 A53 2.05286 0.00010 0.01262 -0.01411 -0.00146 2.05140 D1 -3.10036 -0.00463 -0.00918 -0.00749 -0.01654 -3.11690 D2 1.09983 -0.00425 -0.01342 0.00334 -0.01001 1.08982 D3 -0.99113 -0.00442 -0.01394 0.00256 -0.01129 -1.00242 D4 -1.05741 0.00379 0.00088 0.02624 0.02696 -1.03045 D5 -3.14040 0.00417 -0.00336 0.03707 0.03348 -3.10692 D6 1.05182 0.00400 -0.00388 0.03630 0.03220 1.08403 D7 0.99649 0.00029 0.01355 -0.01380 -0.00011 0.99638 D8 -1.08650 0.00068 0.00931 -0.00297 0.00642 -1.08008 D9 3.10572 0.00051 0.00879 -0.00375 0.00514 3.11086 D10 -1.06520 -0.00156 0.00637 -0.00649 0.00026 -1.06494 D11 3.06608 0.00640 0.02707 -0.01628 0.01042 3.07650 D12 1.12435 -0.00462 -0.02616 0.00467 -0.02150 1.10285 D13 1.59043 0.00020 0.01180 -0.06180 -0.04983 1.54060 D14 -1.54734 0.00085 0.01075 -0.04060 -0.02961 -1.57695 D15 -2.54239 -0.00486 -0.01099 -0.04141 -0.05166 -2.59405 D16 0.60302 -0.00421 -0.01204 -0.02020 -0.03144 0.57158 D17 -0.52530 0.00240 0.02259 -0.04416 -0.02257 -0.54787 D18 2.62011 0.00305 0.02154 -0.02295 -0.00235 2.61776 D19 3.13858 0.00005 0.00029 0.00002 0.00036 3.13895 D20 -0.00450 -0.00000 0.00062 -0.00146 -0.00088 -0.00538 D21 -0.00293 0.00005 0.00019 0.00036 0.00060 -0.00234 D22 3.13717 0.00000 0.00051 -0.00112 -0.00065 3.13653 D23 -0.00220 -0.00001 0.00083 -0.00222 -0.00140 -0.00359 D24 3.14124 -0.00007 0.00013 -0.00173 -0.00159 3.13965 D25 3.13947 -0.00001 0.00072 -0.00187 -0.00116 3.13832 D26 -0.00028 -0.00007 0.00003 -0.00138 -0.00135 -0.00162 D27 -3.13835 -0.00044 -0.00079 -0.00579 -0.00664 3.13819 D28 0.00480 -0.00039 -0.00113 -0.00423 -0.00533 -0.00054 D29 3.13706 -0.00027 0.00160 -0.01385 -0.01223 3.12483 D30 0.00392 -0.00006 -0.00107 0.00004 -0.00121 0.00270 D31 -0.00602 -0.00033 0.00194 -0.01536 -0.01348 -0.01949 D32 -3.13916 -0.00011 -0.00074 -0.00146 -0.00246 3.14156 D33 -3.11061 -0.00073 -0.00954 0.01110 0.00158 -3.10903 D34 -0.00096 0.00129 -0.00069 0.03188 0.03138 0.03042 D35 -3.13944 -0.00086 0.00063 -0.02040 -0.01988 3.12387 D36 -0.00173 -0.00150 0.00171 -0.04194 -0.04013 -0.04186 D37 -0.02809 0.00094 0.00889 -0.00047 0.00833 -0.01977 D38 3.10962 0.00030 0.00996 -0.02201 -0.01193 3.09769 D39 3.13793 0.00014 0.00027 0.00117 0.00155 3.13948 D40 -0.01676 -0.00007 0.00518 -0.01414 -0.00916 -0.02592 D41 0.00033 0.00081 -0.00085 0.02333 0.02248 0.02280 D42 3.12882 0.00060 0.00406 0.00803 0.01176 3.14058 D43 0.00331 0.00012 -0.00090 0.00534 0.00441 0.00772 D44 3.13696 -0.00014 0.00159 -0.00769 -0.00626 3.13069 D45 -3.12398 0.00026 -0.00627 0.02219 0.01573 -3.10825 D46 0.00966 0.00001 -0.00379 0.00916 0.00507 0.01473 D47 3.13921 0.00002 0.00036 -0.00086 -0.00050 3.13871 D48 -0.00250 0.00002 0.00047 -0.00127 -0.00078 -0.00328 D49 -0.00056 -0.00005 -0.00034 -0.00037 -0.00072 -0.00128 D50 3.14092 -0.00005 -0.00022 -0.00077 -0.00100 3.13992 D51 -3.14156 0.00000 0.00037 -0.00095 -0.00058 3.14105 D52 0.00017 -0.00000 -0.00003 0.00005 0.00001 0.00019 D53 0.00014 0.00000 0.00027 -0.00058 -0.00031 -0.00017 D54 -3.14131 0.00000 -0.00014 0.00042 0.00028 -3.14104 D55 3.14156 -0.00000 -0.00018 0.00046 0.00028 -3.14134 D56 -0.00050 -0.00000 -0.00007 0.00016 0.00010 -0.00040 D57 -0.00015 -0.00000 -0.00006 0.00005 -0.00001 -0.00016 D58 3.14098 -0.00000 0.00005 -0.00025 -0.00019 3.14078 D59 -0.00001 -0.00000 -0.00054 0.00133 0.00080 0.00079 D60 -3.14134 -0.00001 -0.00001 -0.00011 -0.00013 -3.14147 D61 3.14145 0.00000 -0.00013 0.00033 0.00020 -3.14154 D62 0.00011 -0.00000 0.00040 -0.00111 -0.00072 -0.00061 D63 -0.00013 0.00000 0.00058 -0.00153 -0.00094 -0.00107 D64 3.14154 0.00000 0.00000 0.00004 0.00004 3.14157 D65 3.14120 0.00001 0.00005 -0.00004 0.00000 3.14120 D66 -0.00032 0.00001 -0.00053 0.00152 0.00098 0.00066 D67 0.00012 -0.00000 -0.00038 0.00100 0.00063 0.00075 D68 -3.14126 -0.00000 -0.00040 0.00105 0.00066 -3.14060 D69 -3.14154 -0.00000 0.00020 -0.00053 -0.00034 3.14130 D70 0.00026 -0.00000 0.00018 -0.00048 -0.00031 -0.00005 D71 0.00002 0.00000 0.00011 -0.00026 -0.00015 -0.00013 D72 -3.14113 0.00000 0.00000 0.00002 0.00003 -3.14110 D73 3.14140 0.00000 0.00013 -0.00031 -0.00018 3.14122 D74 0.00026 0.00000 0.00002 -0.00003 -0.00000 0.00025 Item Value Threshold Converged? Maximum Force 0.052274 0.000450 NO RMS Force 0.007485 0.000300 NO Maximum Displacement 0.240295 0.001800 NO RMS Displacement 0.046508 0.001200 NO Predicted change in Energy=-1.109912D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.671943 -6.525064 1.300543 2 6 0 7.582396 -6.922215 2.448672 3 8 0 5.573767 -7.381679 1.168344 4 7 0 4.695883 -1.401269 1.895837 5 6 0 5.219033 -2.656196 1.742147 6 7 0 6.332238 -2.849702 1.144754 7 6 0 6.868589 -4.098005 0.987533 8 8 0 7.919429 -4.306639 0.463664 9 7 0 6.122944 -5.175760 1.480543 10 6 0 4.952833 -4.982897 2.124992 11 6 0 4.447711 -3.754411 2.294652 12 1 0 7.225606 -6.472096 0.382102 13 1 0 8.401937 -6.223660 2.532137 14 1 0 7.999829 -7.906637 2.272275 15 1 0 3.828354 -1.389277 2.373781 16 6 0 5.187629 -0.162234 1.490220 17 1 0 4.458389 -5.869778 2.462601 18 35 0 2.776861 -3.533250 3.199147 19 1 0 7.035741 -6.947274 3.383004 20 1 0 5.872042 -8.259515 0.992203 21 8 0 6.208663 -0.010155 0.913419 22 6 0 4.298737 1.007813 1.852182 23 6 0 4.759173 2.255595 1.466975 24 6 0 4.029115 3.400068 1.743955 25 6 0 2.827562 3.305141 2.412374 26 6 0 2.353857 2.060130 2.804146 27 6 0 3.080167 0.923282 2.527958 28 1 0 5.696261 2.326244 0.946099 29 1 0 4.414829 4.356138 1.430665 30 1 0 2.247970 4.186258 2.635239 31 1 0 1.413729 1.990199 3.325611 32 1 0 2.671784 -0.019154 2.851222 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518174 0.000000 3 O 1.399020 2.425889 0.000000 4 N 5.523808 6.254472 6.088122 0.000000 5 C 4.156212 4.927837 4.773392 1.368265 0.000000 6 N 3.694314 4.455161 4.595068 2.310788 1.278103 7 C 2.455048 3.258928 3.534371 3.580230 2.317173 8 O 2.679179 3.300770 3.931231 4.569852 3.413301 9 N 1.467794 2.473333 2.294590 4.056569 2.689553 10 C 2.452210 3.283341 2.656104 3.598137 2.372966 11 C 3.689441 4.459255 3.961521 2.399566 1.451301 12 H 1.073724 2.144905 2.043059 5.865507 4.520746 13 H 2.144889 1.080090 3.346563 6.115158 4.845798 14 H 2.148556 1.083722 2.716620 7.305996 5.964981 15 H 5.967758 6.686691 6.356762 0.990546 1.984448 16 C 6.536419 7.235391 7.236926 1.393394 2.506851 17 H 2.584492 3.296549 2.281450 4.510565 3.380051 18 Br 5.265673 5.928023 5.172741 3.150652 2.975950 19 H 2.155749 1.082791 2.689013 6.200384 4.940261 20 H 1.934744 2.614381 0.943710 7.016797 5.690871 21 O 6.542823 7.212539 7.403205 2.277904 2.944095 22 C 7.917111 8.603694 8.513338 2.441989 3.779420 23 C 8.988123 9.652280 9.676249 3.682469 4.940939 24 C 10.280535 10.939468 10.907032 4.849793 6.172054 25 C 10.613593 11.278677 11.103935 5.089964 6.458009 26 C 9.726882 10.399351 10.108977 4.276844 5.619680 27 C 8.359740 9.045892 8.777184 2.900630 4.243219 28 H 8.911971 9.557678 9.711239 3.974558 5.068150 29 H 11.113597 11.758871 11.797809 5.783002 7.065168 30 H 11.665563 12.324329 12.125588 6.144872 7.512923 31 H 10.210750 10.874401 10.478159 4.931414 6.211013 32 H 7.793121 8.481061 8.090758 2.630586 3.830472 6 7 8 9 10 6 N 0.000000 7 C 1.367717 0.000000 8 O 2.259586 1.192574 0.000000 9 N 2.359471 1.400215 2.239816 0.000000 10 C 2.722892 2.397284 3.466703 1.349693 0.000000 11 C 2.385834 2.772592 3.963622 2.342950 1.339071 12 H 3.808081 2.475948 2.275356 2.025567 3.228138 13 H 4.194291 3.042263 2.861182 2.719881 3.688032 14 H 5.442863 4.175638 4.029581 3.406938 4.225416 15 H 3.148457 4.301386 5.375542 4.516688 3.773652 16 C 2.941421 4.309131 5.068791 5.100034 4.867941 17 H 3.790632 3.335277 4.291614 2.053495 1.070053 18 Br 4.162749 4.685342 5.875969 4.104597 2.826684 19 H 4.721734 3.726198 4.034402 2.755143 3.127280 20 H 5.431494 4.279170 4.482898 3.132247 3.586695 21 O 2.851634 4.141438 4.646373 5.197351 5.270026 22 C 4.417692 5.781101 6.578814 6.457742 6.032485 23 C 5.351861 6.711760 7.352331 7.555468 7.270918 24 C 6.687529 8.053315 8.727372 8.831667 8.442307 25 C 7.195256 8.553750 9.362894 9.146231 8.561012 26 C 6.533570 7.848918 8.774349 8.265352 7.537914 27 C 5.169586 6.475984 7.418345 6.895932 6.209042 28 H 5.218654 6.530470 7.012158 7.533110 7.440834 29 H 7.462059 8.814183 9.394733 9.683864 9.380250 30 H 8.270884 9.627776 10.440809 10.197850 9.573402 31 H 7.236885 8.502254 9.495528 8.771086 7.911435 32 H 4.931831 6.141949 7.184758 6.354515 5.510838 11 12 13 14 15 11 C 0.000000 12 H 4.331323 0.000000 13 H 4.667922 2.463356 0.000000 14 H 5.464342 2.496014 1.749752 0.000000 15 H 2.446164 6.429864 6.656876 7.738701 0.000000 16 C 3.754773 6.722770 6.939614 8.276223 2.033210 17 H 2.122051 3.514079 3.960005 4.089843 4.525453 18 Br 1.912790 6.030248 6.270940 6.874955 2.526556 19 H 4.251680 3.044216 1.764677 1.756008 6.495936 20 H 4.901128 2.323623 3.593950 2.508104 7.299697 21 O 4.362133 6.563014 6.785156 8.210311 3.114564 22 C 4.785055 8.165582 8.342229 9.661366 2.497873 23 C 6.074720 9.134157 9.289890 10.696790 3.869601 24 C 7.187841 10.465745 10.599950 11.995302 4.834751 25 C 7.244033 10.911423 11.040201 12.348115 4.800066 26 C 6.201023 10.119244 10.260333 11.467185 3.775945 27 C 4.879079 8.745340 8.910669 10.111178 2.435464 28 H 6.352309 8.948060 9.106978 10.572465 4.396868 29 H 8.156503 11.236129 11.359682 12.803757 5.851770 30 H 8.246762 11.977228 12.093317 13.396035 5.801084 31 H 6.577877 10.679541 10.813516 11.934555 4.261133 32 H 4.173228 8.274920 8.451767 9.536018 1.855490 16 17 18 19 20 16 C 0.000000 17 H 5.835527 0.000000 18 Br 4.482855 2.971431 0.000000 19 H 7.282507 2.941238 5.461448 0.000000 20 H 8.141400 3.141866 6.065338 2.965148 0.000000 21 O 1.182513 6.308614 5.423470 7.409894 8.256601 22 C 1.513326 6.906473 4.975106 8.550907 9.439185 23 C 2.455608 8.191668 6.359301 9.671955 10.584489 24 C 3.754535 9.307566 7.194208 10.899255 11.828245 25 C 4.294528 9.318866 6.883689 11.124877 12.042716 26 C 3.833480 8.211525 5.623243 10.168010 11.052413 27 C 2.587787 6.931770 4.516987 8.850046 9.719921 28 H 2.597556 8.426558 6.923352 9.681469 10.587318 29 H 4.584370 10.277945 8.249419 11.766389 12.707101 30 H 5.372341 10.297554 7.758127 12.142382 13.066397 31 H 4.716349 8.473133 5.690572 10.558822 11.418317 32 H 2.863961 6.129665 3.532841 8.205227 9.033335 21 22 23 24 25 21 O 0.000000 22 C 2.359100 0.000000 23 C 2.746100 1.384682 0.000000 24 C 4.131566 2.409832 1.385468 0.000000 25 C 4.966880 2.784939 2.393000 1.378233 0.000000 26 C 4.766598 2.407522 2.758945 2.392892 1.388501 27 C 3.642187 1.395970 2.391611 2.765798 2.398004 28 H 2.392150 2.124222 1.074448 2.137533 3.367141 29 H 4.748673 3.376748 2.128890 1.077494 2.141907 30 H 6.021763 3.862814 3.376158 2.141252 1.077944 31 H 5.728130 3.385166 3.836269 3.365949 2.135883 32 H 4.032948 2.167884 3.383462 3.841805 3.356753 26 27 28 29 30 26 C 0.000000 27 C 1.377037 0.000000 28 H 3.833382 3.363708 0.000000 29 H 3.377234 3.843160 2.448947 0.000000 30 H 2.135454 3.369136 4.266563 2.484982 0.000000 31 H 1.077338 2.133443 4.910711 4.265570 2.448520 32 H 2.103976 1.076783 4.275260 4.919285 4.232229 31 32 31 H 0.000000 32 H 2.417694 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.528539 -0.709263 -0.168655 2 6 0 -5.128479 -0.821707 1.221410 3 8 0 -5.011540 0.400029 -0.871106 4 7 0 0.977628 -0.292200 -0.024985 5 6 0 -0.383387 -0.430744 -0.049346 6 7 0 -0.939341 -1.580831 -0.091337 7 6 0 -2.298295 -1.733998 -0.112154 8 8 0 -2.845780 -2.793454 -0.118957 9 7 0 -3.068582 -0.564751 -0.123272 10 6 0 -2.493393 0.654880 -0.065577 11 6 0 -1.162249 0.793542 -0.021546 12 1 0 -4.694299 -1.612909 -0.724381 13 1 0 -4.712451 -1.674054 1.738150 14 1 0 -6.201079 -0.962132 1.156094 15 1 0 1.279602 0.650726 0.004744 16 6 0 1.983593 -1.256287 -0.035748 17 1 0 -3.167289 1.485931 -0.080809 18 35 0 -0.393239 2.543805 0.041457 19 1 0 -4.937560 0.075210 1.797192 20 1 0 -5.946209 0.327911 -0.979654 21 8 0 1.785399 -2.421663 -0.066668 22 6 0 3.386793 -0.690567 -0.001903 23 6 0 4.411715 -1.621611 -0.007959 24 6 0 5.737538 -1.220470 0.020325 25 6 0 6.050115 0.121376 0.055995 26 6 0 5.032233 1.065734 0.062106 27 6 0 3.714847 0.665844 0.033586 28 1 0 4.164742 -2.666920 -0.035744 29 1 0 6.511822 -1.969767 0.014601 30 1 0 7.076721 0.449317 0.078315 31 1 0 5.280852 2.113645 0.089102 32 1 0 2.960986 1.434690 0.039200 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5071621 0.1429402 0.1135450 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1890.6912909887 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= 339 RedAO= T EigKep= 4.14D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999998 -0.001014 -0.000665 0.001677 Ang= -0.24 deg. 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) = -3457.12040563 A.U. after 14 cycles NFock= 14 Conv=0.74D-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 -0.001669337 0.001622647 -0.002691417 2 6 -0.000496123 0.000378231 0.000070995 3 8 -0.001838471 0.005905645 0.003231394 4 7 -0.003220991 0.000836910 0.001364763 5 6 -0.002042161 0.000166318 0.002223939 6 7 0.002872399 0.000225538 -0.001871728 7 6 -0.006172380 0.005070733 0.002497918 8 8 0.006092118 -0.001129526 -0.002263416 9 7 -0.002499412 -0.004463195 0.002936048 10 6 0.000620286 -0.003522380 -0.001440179 11 6 -0.002452957 -0.000121365 0.001262162 12 1 0.002200086 -0.001868241 -0.001886608 13 1 0.001040259 0.001404515 -0.000059813 14 1 0.000361249 -0.001805839 -0.000669060 15 1 0.000324038 0.001158966 -0.000278363 16 6 -0.007527309 -0.001007725 0.004354028 17 1 -0.001035728 0.000994353 0.000823658 18 35 0.007147955 -0.000030324 -0.003840478 19 1 -0.001246075 0.000172017 0.001187822 20 1 0.002066572 -0.003647194 -0.000762036 21 8 0.004761776 0.000270326 -0.002703941 22 6 0.000668595 -0.003506777 -0.000013948 23 6 0.003004739 0.004434102 -0.002204890 24 6 0.005397835 0.001779272 -0.003002622 25 6 -0.005615155 0.000303146 0.002912627 26 6 -0.003658826 0.005655101 0.001437841 27 6 0.002130210 -0.006848776 -0.000471970 28 1 -0.001298136 -0.000876634 0.000819465 29 1 -0.001855154 -0.001107159 0.001119975 30 1 0.001917800 -0.000988737 -0.000924382 31 1 0.001787177 -0.001243773 -0.000828749 32 1 0.000235123 0.001789824 -0.000329035 ------------------------------------------------------------------- Cartesian Forces: Max 0.007527309 RMS 0.002763964 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.008063387 RMS 0.001664202 Search for a local minimum. Step number 4 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 3 4 DE= -9.25D-03 DEPred=-1.11D-02 R= 8.34D-01 TightC=F SS= 1.41D+00 RLast= 2.78D-01 DXNew= 8.4853D-01 8.3470D-01 Trust test= 8.34D-01 RLast= 2.78D-01 DXMaxT set to 8.35D-01 ITU= 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00283 0.01075 0.01238 0.01332 0.01518 Eigenvalues --- 0.01547 0.01592 0.01595 0.01681 0.01773 Eigenvalues --- 0.01796 0.01816 0.01830 0.01963 0.02043 Eigenvalues --- 0.02072 0.02110 0.02121 0.02122 0.02146 Eigenvalues --- 0.02476 0.02531 0.02578 0.02622 0.02675 Eigenvalues --- 0.05069 0.05295 0.05513 0.05640 0.08525 Eigenvalues --- 0.15256 0.15832 0.15998 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16003 Eigenvalues --- 0.16075 0.16895 0.19154 0.21365 0.22000 Eigenvalues --- 0.22068 0.22994 0.23480 0.23683 0.24416 Eigenvalues --- 0.24990 0.24997 0.24998 0.25000 0.25000 Eigenvalues --- 0.25008 0.27284 0.28549 0.31552 0.33720 Eigenvalues --- 0.33729 0.33764 0.33871 0.34608 0.35032 Eigenvalues --- 0.35147 0.35479 0.38309 0.38376 0.38412 Eigenvalues --- 0.38438 0.38549 0.38666 0.40429 0.41186 Eigenvalues --- 0.42639 0.44135 0.45408 0.46134 0.49581 Eigenvalues --- 0.50304 0.51225 0.54644 0.55930 0.56156 Eigenvalues --- 0.58502 0.67415 0.72500 0.86592 0.88724 RFO step: Lambda=-1.57993978D-03 EMin= 2.82615939D-03 Quartic linear search produced a step of -0.04821. Iteration 1 RMS(Cart)= 0.02968645 RMS(Int)= 0.00024751 Iteration 2 RMS(Cart)= 0.00053496 RMS(Int)= 0.00003837 Iteration 3 RMS(Cart)= 0.00000008 RMS(Int)= 0.00003837 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86893 0.00016 0.00040 -0.00124 -0.00084 2.86809 R2 2.64376 -0.00180 -0.00091 -0.00111 -0.00202 2.64175 R3 2.77373 -0.00164 -0.00054 -0.00085 -0.00140 2.77233 R4 2.02904 0.00266 -0.00070 0.00911 0.00842 2.03746 R5 2.04107 0.00169 -0.00046 0.00581 0.00535 2.04642 R6 2.04794 0.00189 -0.00043 0.00630 0.00587 2.05381 R7 2.04618 0.00165 -0.00045 0.00571 0.00525 2.05143 R8 1.78335 0.00419 -0.00156 0.01254 0.01098 1.79433 R9 2.58565 0.00186 -0.00129 0.00884 0.00755 2.59320 R10 1.87186 -0.00040 -0.00002 -0.00038 -0.00040 1.87147 R11 2.63313 -0.00126 -0.00025 0.00076 0.00051 2.63364 R12 2.41526 0.00211 -0.00051 0.00467 0.00415 2.41942 R13 2.74256 -0.00195 -0.00053 -0.00393 -0.00447 2.73809 R14 2.58461 -0.00031 -0.00030 0.00015 -0.00014 2.58447 R15 2.25364 0.00656 -0.00133 0.01085 0.00952 2.26316 R16 2.64602 0.00389 -0.00068 0.01020 0.00952 2.65554 R17 2.55055 -0.00163 -0.00051 -0.00213 -0.00264 2.54791 R18 2.53048 0.00002 -0.00068 0.00255 0.00186 2.53234 R19 2.02211 -0.00009 0.00025 -0.00089 -0.00063 2.02147 R20 3.61465 -0.00806 -0.01026 -0.02534 -0.03559 3.57906 R21 2.23463 0.00547 -0.00088 0.00787 0.00699 2.24161 R22 2.85977 -0.00242 0.00055 -0.00786 -0.00731 2.85246 R23 2.61667 0.00437 -0.00037 0.00921 0.00884 2.62551 R24 2.63800 -0.00043 0.00025 -0.00351 -0.00326 2.63474 R25 2.61816 0.00034 -0.00064 0.00186 0.00122 2.61938 R26 2.03041 -0.00159 0.00022 -0.00422 -0.00400 2.02641 R27 2.60448 0.00418 -0.00032 0.00861 0.00829 2.61277 R28 2.03617 -0.00197 0.00031 -0.00540 -0.00509 2.03108 R29 2.62389 -0.00030 -0.00059 0.00010 -0.00049 2.62340 R30 2.03702 -0.00203 0.00034 -0.00560 -0.00527 2.03175 R31 2.60222 0.00450 -0.00038 0.00926 0.00888 2.61110 R32 2.03587 -0.00188 0.00033 -0.00527 -0.00494 2.03093 R33 2.03482 -0.00175 0.00026 -0.00457 -0.00431 2.03052 A1 1.96279 -0.00001 0.00096 -0.01246 -0.01171 1.95107 A2 1.95201 -0.00075 0.00159 -0.01390 -0.01247 1.93954 A3 1.92896 -0.00074 0.00033 -0.00134 -0.00091 1.92805 A4 1.85548 -0.00122 -0.00301 -0.00542 -0.00868 1.84680 A5 1.93279 0.00070 -0.00014 0.00966 0.00956 1.94235 A6 1.82597 0.00217 0.00006 0.02606 0.02619 1.85216 A7 1.92228 -0.00032 0.00030 -0.00251 -0.00221 1.92007 A8 1.92360 -0.00049 0.00044 -0.00361 -0.00318 1.92042 A9 1.93463 -0.00058 -0.00019 -0.00302 -0.00322 1.93141 A10 1.88368 0.00054 -0.00012 0.00434 0.00422 1.88790 A11 1.90854 0.00040 -0.00026 0.00236 0.00209 1.91063 A12 1.89009 0.00050 -0.00018 0.00277 0.00259 1.89267 A13 1.91675 -0.00140 -0.00128 -0.00353 -0.00482 1.91193 A14 1.98249 0.00384 -0.00119 0.01802 0.01683 1.99932 A15 2.27566 -0.00551 0.00061 -0.01806 -0.01746 2.25821 A16 2.02503 0.00166 0.00058 0.00004 0.00062 2.02565 A17 2.12278 -0.00067 0.00005 0.00112 0.00117 2.12395 A18 2.03539 0.00178 0.00010 0.00288 0.00297 2.03837 A19 2.12501 -0.00111 -0.00016 -0.00399 -0.00415 2.12086 A20 2.13349 -0.00131 -0.00029 -0.00252 -0.00278 2.13071 A21 2.16001 -0.00063 0.00022 -0.00275 -0.00262 2.15739 A22 2.04115 0.00135 0.00008 0.00507 0.00511 2.04626 A23 2.08202 -0.00072 -0.00032 -0.00236 -0.00277 2.07925 A24 2.05467 0.00184 -0.00004 0.00626 0.00619 2.06086 A25 2.11084 -0.00103 -0.00047 -0.00198 -0.00247 2.10837 A26 2.11741 -0.00081 0.00052 -0.00447 -0.00391 2.11350 A27 2.11603 -0.00148 -0.00087 -0.00307 -0.00393 2.11210 A28 2.01840 0.00239 -0.00009 0.01202 0.01191 2.03031 A29 2.14849 -0.00090 0.00097 -0.00876 -0.00782 2.14068 A30 2.03253 0.00336 0.00075 0.00889 0.00965 2.04218 A31 2.16129 -0.00331 0.00031 -0.01317 -0.01286 2.14843 A32 2.08920 -0.00005 -0.00105 0.00434 0.00328 2.09248 A33 2.16648 -0.00227 -0.00063 -0.00205 -0.00268 2.16380 A34 1.99390 0.00358 -0.00021 0.01071 0.01049 2.00440 A35 2.12281 -0.00131 0.00084 -0.00865 -0.00781 2.11499 A36 2.02069 0.00012 0.00012 -0.00038 -0.00026 2.02043 A37 2.19161 -0.00077 0.00019 -0.00333 -0.00314 2.18847 A38 2.07088 0.00065 -0.00032 0.00372 0.00340 2.07428 A39 2.11011 -0.00046 0.00002 -0.00179 -0.00177 2.10835 A40 2.07616 -0.00056 0.00028 -0.00468 -0.00440 2.07176 A41 2.09691 0.00102 -0.00030 0.00648 0.00617 2.10308 A42 2.09376 -0.00009 0.00022 -0.00112 -0.00090 2.09286 A43 2.07854 0.00150 -0.00056 0.01007 0.00951 2.08805 A44 2.11088 -0.00141 0.00034 -0.00894 -0.00861 2.10228 A45 2.08981 0.00020 0.00004 0.00060 0.00064 2.09045 A46 2.10915 -0.00130 0.00037 -0.00824 -0.00787 2.10129 A47 2.08422 0.00110 -0.00041 0.00764 0.00723 2.09145 A48 2.09870 0.00014 -0.00018 0.00111 0.00093 2.09963 A49 2.08574 0.00133 -0.00040 0.00893 0.00853 2.09427 A50 2.09874 -0.00147 0.00058 -0.01004 -0.00947 2.08928 A51 2.10310 -0.00044 0.00022 -0.00252 -0.00230 2.10079 A52 2.12868 0.00077 -0.00029 0.00501 0.00472 2.13341 A53 2.05140 -0.00032 0.00007 -0.00249 -0.00242 2.04898 D1 -3.11690 0.00090 0.00080 0.00640 0.00715 -3.10975 D2 1.08982 0.00073 0.00048 0.00487 0.00530 1.09512 D3 -1.00242 0.00080 0.00054 0.00570 0.00620 -0.99622 D4 -1.03045 -0.00121 -0.00130 -0.01899 -0.02024 -1.05069 D5 -3.10692 -0.00137 -0.00161 -0.02053 -0.02209 -3.12901 D6 1.08403 -0.00130 -0.00155 -0.01970 -0.02120 1.06283 D7 0.99638 0.00055 0.00001 0.00394 0.00394 1.00032 D8 -1.08008 0.00039 -0.00031 0.00240 0.00209 -1.07799 D9 3.11086 0.00045 -0.00025 0.00324 0.00299 3.11385 D10 -1.06494 -0.00044 -0.00001 -0.00875 -0.00870 -1.07364 D11 3.07650 0.00133 -0.00050 0.01987 0.01931 3.09581 D12 1.10285 -0.00090 0.00104 -0.01240 -0.01137 1.09148 D13 1.54060 -0.00015 0.00240 -0.02701 -0.02469 1.51591 D14 -1.57695 -0.00001 0.00143 -0.01825 -0.01688 -1.59383 D15 -2.59405 -0.00144 0.00249 -0.05456 -0.05203 -2.64609 D16 0.57158 -0.00130 0.00152 -0.04580 -0.04422 0.52736 D17 -0.54787 -0.00018 0.00109 -0.03395 -0.03285 -0.58072 D18 2.61776 -0.00004 0.00011 -0.02518 -0.02504 2.59272 D19 3.13895 -0.00007 -0.00002 -0.00366 -0.00370 3.13525 D20 -0.00538 0.00009 0.00004 0.00436 0.00442 -0.00096 D21 -0.00234 -0.00007 -0.00003 -0.00348 -0.00352 -0.00586 D22 3.13653 0.00009 0.00003 0.00454 0.00459 3.14112 D23 -0.00359 0.00001 0.00007 0.00029 0.00036 -0.00324 D24 3.13965 -0.00004 0.00008 -0.00176 -0.00168 3.13797 D25 3.13832 0.00001 0.00006 0.00047 0.00053 3.13884 D26 -0.00162 -0.00003 0.00006 -0.00157 -0.00151 -0.00313 D27 3.13819 0.00009 0.00032 0.00470 0.00503 -3.13997 D28 -0.00054 -0.00009 0.00026 -0.00374 -0.00348 -0.00402 D29 3.12483 -0.00014 0.00059 -0.00834 -0.00775 3.11708 D30 0.00270 -0.00026 0.00006 -0.01192 -0.01182 -0.00912 D31 -0.01949 0.00002 0.00065 -0.00030 0.00036 -0.01914 D32 3.14156 -0.00010 0.00012 -0.00388 -0.00371 3.13785 D33 -3.10903 0.00057 -0.00008 0.02651 0.02643 -3.08260 D34 0.03042 0.00002 -0.00151 0.00453 0.00300 0.03343 D35 3.12387 0.00021 0.00096 0.00734 0.00834 3.13221 D36 -0.04186 0.00007 0.00193 -0.00142 0.00052 -0.04134 D37 -0.01977 -0.00031 -0.00040 -0.01361 -0.01400 -0.03377 D38 3.09769 -0.00045 0.00057 -0.02237 -0.02181 3.07588 D39 3.13948 -0.00025 -0.00007 -0.01148 -0.01154 3.12794 D40 -0.02592 -0.00001 0.00044 -0.00290 -0.00238 -0.02830 D41 0.02280 -0.00014 -0.00108 -0.00255 -0.00364 0.01917 D42 3.14058 0.00010 -0.00057 0.00603 0.00553 -3.13708 D43 0.00772 0.00007 -0.00021 0.00329 0.00309 0.01081 D44 3.13069 0.00014 0.00030 0.00651 0.00684 3.13753 D45 -3.10825 -0.00023 -0.00076 -0.00624 -0.00694 -3.11519 D46 0.01473 -0.00016 -0.00024 -0.00302 -0.00319 0.01153 D47 3.13871 -0.00000 0.00002 -0.00075 -0.00073 3.13798 D48 -0.00328 -0.00000 0.00004 -0.00067 -0.00063 -0.00391 D49 -0.00128 -0.00005 0.00003 -0.00274 -0.00271 -0.00398 D50 3.13992 -0.00004 0.00005 -0.00266 -0.00261 3.13731 D51 3.14105 0.00002 0.00003 0.00066 0.00069 -3.14144 D52 0.00019 -0.00001 -0.00000 -0.00020 -0.00019 -0.00001 D53 -0.00017 0.00002 0.00002 0.00059 0.00060 0.00043 D54 -3.14104 -0.00001 -0.00001 -0.00028 -0.00028 -3.14132 D55 -3.14134 -0.00001 -0.00001 -0.00021 -0.00022 -3.14156 D56 -0.00040 -0.00000 -0.00000 -0.00017 -0.00017 -0.00057 D57 -0.00016 -0.00000 0.00000 -0.00012 -0.00012 -0.00028 D58 3.14078 -0.00000 0.00001 -0.00008 -0.00007 3.14071 D59 0.00079 -0.00003 -0.00004 -0.00116 -0.00120 -0.00041 D60 -3.14147 -0.00001 0.00001 -0.00029 -0.00028 3.14144 D61 -3.14154 -0.00001 -0.00001 -0.00030 -0.00031 3.14134 D62 -0.00061 0.00002 0.00003 0.00058 0.00062 0.00001 D63 -0.00107 0.00003 0.00005 0.00126 0.00130 0.00023 D64 3.14157 0.00000 -0.00000 0.00020 0.00020 -3.14141 D65 3.14120 0.00001 -0.00000 0.00036 0.00036 3.14156 D66 0.00066 -0.00002 -0.00005 -0.00070 -0.00074 -0.00008 D67 0.00075 -0.00002 -0.00003 -0.00080 -0.00083 -0.00008 D68 -3.14060 -0.00002 -0.00003 -0.00080 -0.00083 -3.14143 D69 3.14130 0.00001 0.00002 0.00023 0.00025 3.14156 D70 -0.00005 0.00001 0.00001 0.00023 0.00025 0.00021 D71 -0.00013 0.00001 0.00001 0.00023 0.00024 0.00011 D72 -3.14110 0.00000 -0.00000 0.00019 0.00019 -3.14091 D73 3.14122 0.00001 0.00001 0.00023 0.00024 3.14146 D74 0.00025 0.00000 0.00000 0.00019 0.00019 0.00044 Item Value Threshold Converged? Maximum Force 0.008063 0.000450 NO RMS Force 0.001664 0.000300 NO Maximum Displacement 0.096997 0.001800 NO RMS Displacement 0.029744 0.001200 NO Predicted change in Energy=-8.276694D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.678145 -6.528876 1.282408 2 6 0 7.601792 -6.897072 2.429058 3 8 0 5.580346 -7.390749 1.203141 4 7 0 4.661757 -1.415073 1.918147 5 6 0 5.199729 -2.666897 1.754984 6 7 0 6.317235 -2.845974 1.156417 7 6 0 6.859730 -4.090041 0.987766 8 8 0 7.929130 -4.284299 0.484850 9 7 0 6.118923 -5.184868 1.464524 10 6 0 4.945781 -5.006112 2.104593 11 6 0 4.438679 -3.779192 2.286976 12 1 0 7.223305 -6.502829 0.352576 13 1 0 8.423286 -6.193597 2.483738 14 1 0 8.015442 -7.889435 2.269970 15 1 0 3.791685 -1.399499 2.390904 16 6 0 5.162326 -0.178130 1.516035 17 1 0 4.447964 -5.891933 2.438951 18 35 0 2.784818 -3.565358 3.184798 19 1 0 7.061993 -6.896958 3.370909 20 1 0 5.882782 -8.276550 1.043531 21 8 0 6.190968 -0.033717 0.943206 22 6 0 4.289044 1.002895 1.863913 23 6 0 4.772238 2.246327 1.475687 24 6 0 4.054477 3.401662 1.742765 25 6 0 2.842059 3.323074 2.402691 26 6 0 2.349641 2.085804 2.795001 27 6 0 3.065455 0.934316 2.528782 28 1 0 5.713423 2.296352 0.964260 29 1 0 4.445934 4.353862 1.434097 30 1 0 2.278791 4.214238 2.613678 31 1 0 1.407536 2.020622 3.308050 32 1 0 2.640585 0.002011 2.852593 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.517729 0.000000 3 O 1.397952 2.415126 0.000000 4 N 5.533621 6.241566 6.088000 0.000000 5 C 4.162202 4.911076 4.771182 1.372261 0.000000 6 N 3.702688 4.436338 4.604364 2.316963 1.280300 7 C 2.463271 3.241512 3.546530 3.584990 2.317232 8 O 2.690574 3.273175 3.960146 4.578485 3.417435 9 N 1.467056 2.461883 2.285672 4.066997 2.696194 10 C 2.448649 3.276493 2.627124 3.607075 2.378790 11 C 3.685800 4.443720 3.939727 2.403093 1.448935 12 H 1.078177 2.147198 2.052115 5.907436 4.558068 13 H 2.145022 1.082921 3.339971 6.107642 4.833220 14 H 2.148200 1.086830 2.704904 7.299887 5.955532 15 H 5.989234 6.688923 6.364367 0.990337 1.998320 16 C 6.533319 7.206163 7.231494 1.393661 2.500491 17 H 2.591716 3.310141 2.248547 4.512119 3.381393 18 Br 5.249716 5.905480 5.135714 3.122663 2.946760 19 H 2.155147 1.085571 2.671764 6.158142 4.896188 20 H 1.934949 2.603391 0.949519 7.023939 5.695695 21 O 6.522230 7.162669 7.386903 2.279724 2.928340 22 C 7.922975 8.585055 8.518060 2.447126 3.782669 23 C 8.981872 9.618578 9.674738 3.689692 4.939689 24 C 10.281593 10.914136 10.913093 4.858033 6.175691 25 C 10.631627 11.274180 11.123090 5.098639 6.469767 26 C 9.758924 10.412064 10.137876 4.286128 5.638511 27 C 8.384760 9.050908 8.797085 2.905285 4.257067 28 H 8.883499 9.498980 9.690960 3.973736 5.052026 29 H 11.110345 11.727442 11.801530 5.793228 7.068396 30 H 11.685079 12.321916 12.147658 6.152351 7.524576 31 H 10.245802 10.893424 10.507944 4.932117 6.226201 32 H 7.837082 8.508249 8.125010 2.639403 3.857076 6 7 8 9 10 6 N 0.000000 7 C 1.367643 0.000000 8 O 2.262297 1.197613 0.000000 9 N 2.367421 1.405254 2.246694 0.000000 10 C 2.728758 2.397851 3.470584 1.348297 0.000000 11 C 2.382862 2.765151 3.960560 2.339994 1.340055 12 H 3.852235 2.521349 2.331858 2.047708 3.239883 13 H 4.171788 3.017878 2.808053 2.714114 3.694173 14 H 5.436949 4.173142 4.023818 3.400031 4.214703 15 H 3.161432 4.315173 5.391991 4.539079 3.797574 16 C 2.929254 4.296894 5.057586 5.097564 4.868542 17 H 3.796964 3.342060 4.303663 2.059503 1.069718 18 Br 4.136400 4.659093 5.854104 4.086369 2.812894 19 H 4.676442 3.687691 3.988389 2.730373 3.107605 20 H 5.449096 4.299348 4.520811 3.129137 3.563648 21 O 2.823153 4.111325 4.615057 5.177965 5.255856 22 C 4.407709 5.771833 6.565551 6.465012 6.049578 23 C 5.331086 6.689189 7.320984 7.552241 7.281724 24 C 6.670595 8.035240 8.698810 8.835602 8.462624 25 C 7.189380 8.549735 9.350322 9.165319 8.595920 26 C 6.538287 7.857994 8.777569 8.297008 7.583659 27 C 5.171851 6.481930 7.420710 6.921035 6.245338 28 H 5.181219 6.488497 6.960184 7.508885 7.430721 29 H 7.444226 8.793470 9.362241 9.684379 9.397261 30 H 8.263124 9.622351 10.425132 10.218139 9.611808 31 H 7.240056 8.511776 9.500193 8.804251 7.958798 32 H 4.950331 6.166332 7.207452 6.397600 5.563697 11 12 13 14 15 11 C 0.000000 12 H 4.349051 0.000000 13 H 4.663170 2.465244 0.000000 14 H 5.448635 2.495307 1.757242 0.000000 15 H 2.468267 6.478795 6.666613 7.744290 0.000000 16 C 3.753087 6.753006 6.910583 8.256689 2.033665 17 H 2.118221 3.525432 3.987003 4.092123 4.540372 18 Br 1.893955 6.029128 6.260307 6.847918 2.516941 19 H 4.216296 3.048227 1.770566 1.762425 6.471274 20 H 4.884447 2.328198 3.587066 2.490431 7.313135 21 O 4.347967 6.577536 6.730572 8.173207 3.117331 22 C 4.803096 8.199386 8.322598 9.650102 2.509299 23 C 6.089034 9.155154 9.250872 10.671595 3.884733 24 C 7.211688 10.491570 10.569037 11.977315 4.851834 25 C 7.280437 10.952016 11.032846 12.349164 4.817117 26 C 6.246627 10.172643 10.273000 11.484005 3.793431 27 C 4.915422 8.794016 8.917148 10.120669 2.448083 28 H 6.347187 8.948715 9.040543 10.523993 4.403147 29 H 8.177654 11.258384 11.321218 12.780391 5.868959 30 H 8.286541 12.017334 12.086965 13.398739 5.818291 31 H 6.623312 10.733462 10.833911 11.956223 4.268787 32 H 4.224992 8.340525 8.482997 9.565744 1.871474 16 17 18 19 20 16 C 0.000000 17 H 5.831778 0.000000 18 Br 4.462132 2.955553 0.000000 19 H 7.224399 2.951571 5.424797 0.000000 20 H 8.144122 3.113245 6.031396 2.951355 0.000000 21 O 1.186210 6.292378 5.394356 7.331883 8.249203 22 C 1.509457 6.920591 4.987622 8.506936 9.450986 23 C 2.455970 8.201482 6.375467 9.614286 10.590137 24 C 3.754151 9.327938 7.227092 10.851617 11.841126 25 C 4.292811 9.353962 6.932926 11.099295 12.068330 26 C 3.830450 8.256756 5.681281 10.160116 11.087341 27 C 2.580709 6.965420 4.555895 8.832347 9.745940 28 H 2.594461 8.415707 6.918610 9.598310 10.574556 29 H 4.588996 10.294953 8.278786 11.712214 12.717877 30 H 5.367726 10.337820 7.816927 12.120689 13.094804 31 H 4.705770 8.521036 5.754587 10.559359 11.453716 32 H 2.859722 6.178697 3.585706 8.210559 9.072988 21 22 23 24 25 21 O 0.000000 22 C 2.353632 0.000000 23 C 2.737687 1.389359 0.000000 24 C 4.123799 2.413251 1.386114 0.000000 25 C 4.961182 2.786983 2.396729 1.382619 0.000000 26 C 4.762070 2.408506 2.763211 2.396904 1.388243 27 C 3.635928 1.394247 2.396558 2.771964 2.402492 28 H 2.378595 2.123973 1.072329 2.140066 3.371642 29 H 4.747311 3.382060 2.133051 1.074801 2.138483 30 H 6.011716 3.862122 3.374163 2.138184 1.075156 31 H 5.717868 3.379998 3.837931 3.371007 2.138671 32 H 4.031408 2.167181 3.387738 3.845574 3.357449 26 27 28 29 30 26 C 0.000000 27 C 1.381734 0.000000 28 H 3.835489 3.363720 0.000000 29 H 3.374995 3.846733 2.461833 0.000000 30 H 2.137318 3.374009 4.265626 2.471318 0.000000 31 H 1.074723 2.129792 4.910198 4.264689 2.460323 32 H 2.104795 1.074504 4.274592 4.920368 4.234481 31 32 31 H 0.000000 32 H 2.408867 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.526916 -0.731333 -0.184239 2 6 0 -5.102574 -0.874276 1.212788 3 8 0 -5.014595 0.407222 -0.832416 4 7 0 0.983455 -0.250748 -0.023582 5 6 0 -0.379390 -0.409088 -0.049669 6 7 0 -0.921099 -1.568184 -0.096736 7 6 0 -2.278225 -1.735109 -0.124904 8 8 0 -2.814911 -2.805636 -0.110135 9 7 0 -3.068984 -0.573579 -0.141819 10 6 0 -2.508507 0.651289 -0.082924 11 6 0 -1.177828 0.799819 -0.028346 12 1 0 -4.714997 -1.621700 -0.762459 13 1 0 -4.682223 -1.745586 1.699451 14 1 0 -6.180504 -1.002634 1.159937 15 1 0 1.287796 0.691174 0.006875 16 6 0 1.986509 -1.218249 -0.034356 17 1 0 -3.181919 1.482328 -0.096613 18 35 0 -0.424202 2.535748 0.046914 19 1 0 -4.890664 0.009397 1.806656 20 1 0 -5.957221 0.340670 -0.925232 21 8 0 1.780827 -2.386041 -0.066736 22 6 0 3.393745 -0.673189 -0.001830 23 6 0 4.408971 -1.621663 -0.007442 24 6 0 5.740212 -1.236543 0.020679 25 6 0 6.069002 0.105993 0.054302 26 6 0 5.062658 1.062267 0.060002 27 6 0 3.735713 0.678043 0.032146 28 1 0 4.143336 -2.660234 -0.033852 29 1 0 6.510536 -1.986060 0.015914 30 1 0 7.099041 0.413410 0.076090 31 1 0 5.314243 2.106805 0.085951 32 1 0 2.995274 1.456685 0.037301 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5101657 0.1427789 0.1135303 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.4820400481 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= 339 RedAO= T EigKep= 4.21D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999998 -0.001546 -0.000172 -0.001562 Ang= -0.25 deg. 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) = -3457.12114681 A.U. after 13 cycles NFock= 13 Conv=0.33D-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 -0.000990021 0.001172262 0.001241957 2 6 0.002440261 -0.000261838 0.000478749 3 8 0.000806131 -0.002183478 -0.001142622 4 7 0.001386405 0.000744748 -0.000568433 5 6 -0.001579746 -0.000130044 0.000123305 6 7 0.000418490 -0.000219960 -0.001367067 7 6 0.002515851 0.001723293 0.003394450 8 8 -0.003355208 -0.001019357 0.000161923 9 7 -0.000541973 -0.000290539 -0.002017482 10 6 0.000445857 -0.000290366 -0.000720553 11 6 0.000742858 0.000329625 -0.000257399 12 1 -0.000840929 0.000142340 -0.000004574 13 1 -0.000322714 -0.000441261 0.000184263 14 1 0.000055830 0.000214814 0.000232954 15 1 0.000260763 -0.000419456 0.000020108 16 6 -0.000379165 -0.000308165 -0.000028224 17 1 -0.000220238 0.000494263 0.000103147 18 35 -0.000247743 -0.000158667 0.000185208 19 1 -0.000047090 0.000039200 -0.000701826 20 1 -0.000564437 0.002319085 0.000371604 21 8 -0.000519691 -0.001081095 0.000505928 22 6 -0.000023062 -0.001184483 0.000180036 23 6 -0.000453170 0.003084638 -0.000022653 24 6 0.002232432 -0.002155259 -0.001016344 25 6 -0.001904432 -0.002144661 0.001279570 26 6 -0.000325382 0.003069093 -0.000162460 27 6 0.001259805 -0.000893739 -0.000580892 28 1 -0.000096585 -0.000229577 0.000071774 29 1 -0.000235220 0.000127877 0.000111841 30 1 0.000153475 0.000172176 -0.000101568 31 1 -0.000082460 -0.000200116 0.000059736 32 1 0.000011108 -0.000021354 -0.000014455 ------------------------------------------------------------------- Cartesian Forces: Max 0.003394450 RMS 0.001107434 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002898661 RMS 0.000725709 Search for a local minimum. Step number 5 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 2 3 4 5 DE= -7.41D-04 DEPred=-8.28D-04 R= 8.96D-01 TightC=F SS= 1.41D+00 RLast= 1.30D-01 DXNew= 1.4038D+00 3.8994D-01 Trust test= 8.96D-01 RLast= 1.30D-01 DXMaxT set to 8.35D-01 ITU= 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00283 0.01074 0.01126 0.01332 0.01519 Eigenvalues --- 0.01533 0.01592 0.01593 0.01682 0.01798 Eigenvalues --- 0.01813 0.01828 0.01890 0.02006 0.02040 Eigenvalues --- 0.02066 0.02112 0.02115 0.02125 0.02136 Eigenvalues --- 0.02476 0.02522 0.02577 0.02619 0.02671 Eigenvalues --- 0.05076 0.05546 0.05660 0.05871 0.08659 Eigenvalues --- 0.14576 0.15659 0.15859 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16003 Eigenvalues --- 0.16142 0.16793 0.19008 0.21135 0.22000 Eigenvalues --- 0.22037 0.22481 0.23466 0.23741 0.24299 Eigenvalues --- 0.24421 0.24991 0.24997 0.24999 0.24999 Eigenvalues --- 0.26262 0.27664 0.29056 0.30112 0.33710 Eigenvalues --- 0.33748 0.33817 0.34010 0.34406 0.35118 Eigenvalues --- 0.35278 0.35352 0.38303 0.38371 0.38416 Eigenvalues --- 0.38439 0.38585 0.38686 0.40440 0.40989 Eigenvalues --- 0.42600 0.44082 0.45482 0.46457 0.49678 Eigenvalues --- 0.50578 0.52855 0.54317 0.55911 0.56199 Eigenvalues --- 0.58521 0.66348 0.72759 0.87772 0.92079 RFO step: Lambda=-4.59354670D-04 EMin= 2.82708190D-03 Quartic linear search produced a step of -0.08561. Iteration 1 RMS(Cart)= 0.02120399 RMS(Int)= 0.00019584 Iteration 2 RMS(Cart)= 0.00043145 RMS(Int)= 0.00011584 Iteration 3 RMS(Cart)= 0.00000007 RMS(Int)= 0.00011584 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86809 0.00155 0.00007 0.00379 0.00386 2.87195 R2 2.64175 -0.00023 0.00017 -0.00146 -0.00128 2.64046 R3 2.77233 -0.00079 0.00012 -0.00080 -0.00068 2.77165 R4 2.03746 -0.00042 -0.00072 0.00203 0.00131 2.03877 R5 2.04642 -0.00052 -0.00046 0.00048 0.00003 2.04645 R6 2.05381 -0.00021 -0.00050 0.00164 0.00113 2.05494 R7 2.05143 -0.00059 -0.00045 0.00033 -0.00012 2.05132 R8 1.79433 -0.00241 -0.00094 -0.00019 -0.00113 1.79320 R9 2.59320 -0.00185 -0.00065 -0.00057 -0.00121 2.59198 R10 1.87147 -0.00023 0.00003 -0.00034 -0.00030 1.87116 R11 2.63364 -0.00178 -0.00004 -0.00055 -0.00059 2.63305 R12 2.41942 -0.00026 -0.00036 0.00194 0.00158 2.42099 R13 2.73809 -0.00036 0.00038 -0.00277 -0.00246 2.73563 R14 2.58447 -0.00175 0.00001 -0.00444 -0.00436 2.58011 R15 2.26316 -0.00290 -0.00082 0.00053 -0.00028 2.26288 R16 2.65554 -0.00155 -0.00082 0.00133 0.00059 2.65613 R17 2.54791 -0.00067 0.00023 -0.00322 -0.00298 2.54493 R18 2.53234 -0.00016 -0.00016 0.00146 0.00123 2.53356 R19 2.02147 -0.00027 0.00005 -0.00079 -0.00073 2.02074 R20 3.57906 0.00029 0.00305 -0.00758 -0.00453 3.57453 R21 2.24161 -0.00083 -0.00060 0.00102 0.00042 2.24203 R22 2.85246 -0.00065 0.00063 -0.00410 -0.00347 2.84899 R23 2.62551 0.00091 -0.00076 0.00692 0.00616 2.63167 R24 2.63474 -0.00047 0.00028 -0.00498 -0.00470 2.63005 R25 2.61938 -0.00202 -0.00010 -0.00646 -0.00656 2.61281 R26 2.02641 -0.00013 0.00034 -0.00166 -0.00132 2.02509 R27 2.61277 0.00147 -0.00071 0.00735 0.00664 2.61941 R28 2.03108 -0.00000 0.00044 -0.00177 -0.00133 2.02975 R29 2.62340 -0.00213 0.00004 -0.00727 -0.00723 2.61617 R30 2.03175 0.00004 0.00045 -0.00173 -0.00127 2.03048 R31 2.61110 0.00119 -0.00076 0.00719 0.00643 2.61753 R32 2.03093 0.00011 0.00042 -0.00146 -0.00104 2.02990 R33 2.03052 0.00001 0.00037 -0.00130 -0.00093 2.02958 A1 1.95107 0.00044 0.00100 0.00182 0.00282 1.95390 A2 1.93954 0.00078 0.00107 0.00156 0.00263 1.94217 A3 1.92805 -0.00016 0.00008 -0.00299 -0.00292 1.92513 A4 1.84680 -0.00008 0.00074 0.00190 0.00265 1.84945 A5 1.94235 -0.00037 -0.00082 -0.00281 -0.00363 1.93872 A6 1.85216 -0.00064 -0.00224 0.00070 -0.00154 1.85062 A7 1.92007 0.00042 0.00019 0.00183 0.00202 1.92209 A8 1.92042 0.00041 0.00027 0.00129 0.00156 1.92198 A9 1.93141 -0.00071 0.00028 -0.00557 -0.00530 1.92611 A10 1.88790 -0.00026 -0.00036 0.00116 0.00079 1.88869 A11 1.91063 0.00009 -0.00018 0.00095 0.00077 1.91140 A12 1.89267 0.00007 -0.00022 0.00048 0.00026 1.89294 A13 1.91193 -0.00039 0.00041 -0.00315 -0.00274 1.90919 A14 1.99932 0.00020 -0.00144 0.00526 0.00382 2.00315 A15 2.25821 -0.00119 0.00149 -0.00768 -0.00619 2.25202 A16 2.02565 0.00100 -0.00005 0.00242 0.00237 2.02802 A17 2.12395 -0.00164 -0.00010 -0.00393 -0.00401 2.11994 A18 2.03837 0.00120 -0.00025 0.00343 0.00321 2.04157 A19 2.12086 0.00045 0.00036 0.00051 0.00081 2.12167 A20 2.13071 -0.00098 0.00024 -0.00483 -0.00445 2.12626 A21 2.15739 0.00105 0.00022 0.00473 0.00410 2.16149 A22 2.04626 0.00110 -0.00044 0.00489 0.00385 2.05011 A23 2.07925 -0.00211 0.00024 -0.00807 -0.00867 2.07059 A24 2.06086 -0.00201 -0.00053 -0.00535 -0.00594 2.05492 A25 2.10837 0.00193 0.00021 0.00703 0.00717 2.11554 A26 2.11350 0.00008 0.00033 -0.00200 -0.00159 2.11191 A27 2.11210 -0.00050 0.00034 -0.00244 -0.00214 2.10996 A28 2.03031 0.00074 -0.00102 0.00736 0.00636 2.03667 A29 2.14068 -0.00023 0.00067 -0.00490 -0.00420 2.13647 A30 2.04218 -0.00018 -0.00083 0.00251 0.00156 2.04374 A31 2.14843 0.00044 0.00110 -0.00363 -0.00248 2.14595 A32 2.09248 -0.00026 -0.00028 0.00102 0.00079 2.09327 A33 2.16380 -0.00113 0.00023 -0.00225 -0.00202 2.16177 A34 2.00440 0.00002 -0.00090 0.00170 0.00080 2.00519 A35 2.11499 0.00111 0.00067 0.00055 0.00122 2.11621 A36 2.02043 0.00088 0.00002 0.00222 0.00224 2.02267 A37 2.18847 -0.00081 0.00027 -0.00354 -0.00327 2.18521 A38 2.07428 -0.00007 -0.00029 0.00132 0.00103 2.07531 A39 2.10835 -0.00040 0.00015 -0.00233 -0.00218 2.10616 A40 2.07176 -0.00003 0.00038 -0.00268 -0.00230 2.06946 A41 2.10308 0.00042 -0.00053 0.00501 0.00448 2.10757 A42 2.09286 0.00048 0.00008 0.00126 0.00134 2.09420 A43 2.08805 0.00006 -0.00081 0.00479 0.00398 2.09203 A44 2.10228 -0.00053 0.00074 -0.00605 -0.00531 2.09696 A45 2.09045 0.00021 -0.00005 0.00094 0.00088 2.09134 A46 2.10129 -0.00036 0.00067 -0.00504 -0.00437 2.09691 A47 2.09145 0.00015 -0.00062 0.00411 0.00349 2.09493 A48 2.09963 -0.00047 -0.00008 -0.00140 -0.00148 2.09815 A49 2.09427 0.00043 -0.00073 0.00573 0.00500 2.09927 A50 2.08928 0.00004 0.00081 -0.00432 -0.00351 2.08576 A51 2.10079 0.00025 0.00020 0.00022 0.00042 2.10121 A52 2.13341 -0.00015 -0.00040 0.00174 0.00134 2.13475 A53 2.04898 -0.00010 0.00021 -0.00197 -0.00176 2.04723 D1 -3.10975 -0.00021 -0.00061 0.00375 0.00314 -3.10661 D2 1.09512 -0.00040 -0.00045 0.00039 -0.00007 1.09505 D3 -0.99622 -0.00029 -0.00053 0.00251 0.00198 -0.99425 D4 -1.05069 0.00048 0.00173 0.00834 0.01008 -1.04062 D5 -3.12901 0.00029 0.00189 0.00498 0.00687 -3.12214 D6 1.06283 0.00040 0.00181 0.00710 0.00891 1.07175 D7 1.00032 0.00007 -0.00034 0.00830 0.00796 1.00828 D8 -1.07799 -0.00012 -0.00018 0.00494 0.00476 -1.07323 D9 3.11385 -0.00001 -0.00026 0.00706 0.00680 3.12065 D10 -1.07364 0.00042 0.00074 0.00134 0.00209 -1.07155 D11 3.09581 -0.00073 -0.00165 -0.00281 -0.00447 3.09134 D12 1.09148 0.00026 0.00097 -0.00332 -0.00234 1.08913 D13 1.51591 -0.00072 0.00211 -0.04431 -0.04221 1.47370 D14 -1.59383 -0.00061 0.00145 -0.03273 -0.03127 -1.62510 D15 -2.64609 0.00021 0.00445 -0.04003 -0.03558 -2.68167 D16 0.52736 0.00032 0.00379 -0.02844 -0.02464 0.50272 D17 -0.58072 -0.00056 0.00281 -0.04200 -0.03920 -0.61992 D18 2.59272 -0.00045 0.00214 -0.03041 -0.02826 2.56446 D19 3.13525 0.00011 0.00032 0.00331 0.00361 3.13886 D20 -0.00096 -0.00003 -0.00038 0.00072 0.00035 -0.00060 D21 -0.00586 0.00007 0.00030 0.00176 0.00205 -0.00381 D22 3.14112 -0.00007 -0.00039 -0.00083 -0.00121 3.13991 D23 -0.00324 -0.00006 -0.00003 -0.00239 -0.00242 -0.00565 D24 3.13797 0.00003 0.00014 0.00098 0.00113 3.13910 D25 3.13884 -0.00009 -0.00005 -0.00395 -0.00400 3.13485 D26 -0.00313 -0.00001 0.00013 -0.00058 -0.00045 -0.00359 D27 -3.13997 -0.00040 -0.00043 -0.01233 -0.01277 3.13045 D28 -0.00402 -0.00024 0.00030 -0.00960 -0.00935 -0.01337 D29 3.11708 -0.00006 0.00066 -0.01055 -0.00985 3.10723 D30 -0.00912 0.00008 0.00101 -0.00323 -0.00224 -0.01136 D31 -0.01914 -0.00020 -0.00003 -0.01312 -0.01310 -0.03223 D32 3.13785 -0.00006 0.00032 -0.00581 -0.00548 3.13236 D33 -3.08260 -0.00092 -0.00226 -0.03796 -0.04057 -3.12317 D34 0.03343 0.00069 -0.00026 0.03380 0.03358 0.06700 D35 3.13221 -0.00064 -0.00071 -0.02535 -0.02612 3.10609 D36 -0.04134 -0.00072 -0.00004 -0.03680 -0.03687 -0.07821 D37 -0.03377 0.00094 0.00120 0.04325 0.04423 0.01046 D38 3.07588 0.00087 0.00187 0.03180 0.03348 3.10936 D39 3.12794 0.00011 0.00099 0.00304 0.00389 3.13183 D40 -0.02830 0.00008 0.00020 0.00481 0.00493 -0.02338 D41 0.01917 0.00026 0.00031 0.01504 0.01526 0.03443 D42 -3.13708 0.00023 -0.00047 0.01680 0.01630 -3.12078 D43 0.01081 0.00018 -0.00026 0.00974 0.00947 0.02028 D44 3.13753 0.00005 -0.00059 0.00262 0.00206 3.13959 D45 -3.11519 0.00020 0.00059 0.00775 0.00828 -3.10691 D46 0.01153 0.00007 0.00027 0.00064 0.00087 0.01241 D47 3.13798 -0.00006 0.00006 -0.00425 -0.00419 3.13379 D48 -0.00391 -0.00007 0.00005 -0.00442 -0.00436 -0.00828 D49 -0.00398 0.00002 0.00023 -0.00098 -0.00075 -0.00473 D50 3.13731 0.00001 0.00022 -0.00115 -0.00093 3.13638 D51 -3.14144 -0.00001 -0.00006 -0.00010 -0.00016 3.14159 D52 -0.00001 -0.00000 0.00002 -0.00011 -0.00009 -0.00010 D53 0.00043 -0.00000 -0.00005 0.00006 0.00001 0.00044 D54 -3.14132 0.00000 0.00002 0.00005 0.00007 -3.14125 D55 -3.14156 0.00001 0.00002 0.00022 0.00024 -3.14132 D56 -0.00057 -0.00000 0.00001 -0.00018 -0.00017 -0.00074 D57 -0.00028 0.00000 0.00001 0.00005 0.00006 -0.00022 D58 3.14071 -0.00001 0.00001 -0.00035 -0.00034 3.14036 D59 -0.00041 0.00001 0.00010 -0.00008 0.00002 -0.00039 D60 3.14144 0.00000 0.00002 0.00001 0.00004 3.14148 D61 3.14134 0.00000 0.00003 -0.00008 -0.00005 3.14129 D62 0.00001 -0.00000 -0.00005 0.00002 -0.00003 -0.00002 D63 0.00023 -0.00001 -0.00011 0.00001 -0.00011 0.00013 D64 -3.14141 -0.00000 -0.00002 0.00001 -0.00001 -3.14141 D65 3.14156 -0.00001 -0.00003 -0.00009 -0.00012 3.14144 D66 -0.00008 0.00000 0.00006 -0.00008 -0.00002 -0.00010 D67 -0.00008 0.00001 0.00007 0.00010 0.00017 0.00009 D68 -3.14143 0.00001 0.00007 0.00011 0.00018 -3.14125 D69 3.14156 -0.00000 -0.00002 0.00009 0.00007 -3.14156 D70 0.00021 -0.00000 -0.00002 0.00011 0.00008 0.00029 D71 0.00011 -0.00000 -0.00002 -0.00013 -0.00015 -0.00004 D72 -3.14091 0.00000 -0.00002 0.00025 0.00024 -3.14067 D73 3.14146 -0.00000 -0.00002 -0.00014 -0.00016 3.14130 D74 0.00044 0.00000 -0.00002 0.00024 0.00022 0.00067 Item Value Threshold Converged? Maximum Force 0.002899 0.000450 NO RMS Force 0.000726 0.000300 NO Maximum Displacement 0.085545 0.001800 NO RMS Displacement 0.021260 0.001200 NO Predicted change in Energy=-2.403358D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.672192 -6.524042 1.280090 2 6 0 7.626793 -6.893030 2.403607 3 8 0 5.581726 -7.395182 1.213999 4 7 0 4.647167 -1.418461 1.931807 5 6 0 5.186408 -2.669708 1.773890 6 7 0 6.309675 -2.844067 1.182982 7 6 0 6.859374 -4.084829 1.033034 8 8 0 7.914246 -4.287397 0.503762 9 7 0 6.107479 -5.185206 1.479620 10 6 0 4.932361 -5.010881 2.113940 11 6 0 4.427468 -3.783296 2.302637 12 1 0 7.197992 -6.488390 0.338697 13 1 0 8.440546 -6.180036 2.450440 14 1 0 8.048941 -7.879486 2.226972 15 1 0 3.775031 -1.398637 2.400245 16 6 0 5.156335 -0.186130 1.527418 17 1 0 4.427468 -5.894826 2.441344 18 35 0 2.772964 -3.569923 3.194311 19 1 0 7.103087 -6.908534 3.354303 20 1 0 5.891545 -8.275091 1.040160 21 8 0 6.190995 -0.051537 0.962630 22 6 0 4.289307 1.000205 1.864743 23 6 0 4.783145 2.243718 1.478503 24 6 0 4.068394 3.398328 1.738708 25 6 0 2.846904 3.325098 2.389836 26 6 0 2.346282 2.094124 2.778025 27 6 0 3.061943 0.937076 2.517881 28 1 0 5.728541 2.286055 0.975683 29 1 0 4.461612 4.350639 1.435115 30 1 0 2.289281 4.220768 2.593163 31 1 0 1.400332 2.028873 3.282775 32 1 0 2.629464 0.007803 2.838678 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519772 0.000000 3 O 1.397272 2.418600 0.000000 4 N 5.531041 6.250734 6.091785 0.000000 5 C 4.160203 4.918178 4.774920 1.371618 0.000000 6 N 3.699062 4.429315 4.609069 2.314525 1.281134 7 C 2.458828 3.217670 3.552967 3.579269 2.313061 8 O 2.673568 3.237494 3.950116 4.576452 3.416320 9 N 1.466696 2.465509 2.287131 4.065138 2.694939 10 C 2.451932 3.299448 2.629916 3.608322 2.379342 11 C 3.687286 4.462771 3.945018 2.403794 1.447633 12 H 1.078869 2.147431 2.049571 5.894818 4.548470 13 H 2.148287 1.082935 3.343385 6.109934 4.834205 14 H 2.151569 1.087430 2.710685 7.307806 5.961642 15 H 5.993168 6.710025 6.374157 0.990177 1.999982 16 C 6.521359 7.200930 7.228390 1.393350 2.495960 17 H 2.604459 3.351644 2.256048 4.510625 3.379774 18 Br 5.253098 5.935311 5.142314 3.120151 2.941546 19 H 2.153106 1.085510 2.670631 6.180286 4.913147 20 H 1.932136 2.603875 0.948919 7.025445 5.697008 21 O 6.498127 7.137504 7.373162 2.278418 2.919273 22 C 7.914180 8.586754 8.519175 2.445916 3.779061 23 C 8.971148 9.613653 9.675541 3.692632 4.938789 24 C 10.268570 10.909462 10.911707 4.855278 6.170272 25 C 10.624026 11.280854 11.125927 5.094320 6.464547 26 C 9.758591 10.430385 10.146981 4.283505 5.636373 27 C 8.380592 9.064298 8.802042 2.899134 4.251561 28 H 8.865718 9.481453 9.685283 3.975800 5.048825 29 H 11.098170 11.720770 11.801181 5.793415 7.065789 30 H 11.678400 12.330510 12.152061 6.148002 7.519522 31 H 10.244785 10.915224 10.515546 4.924547 6.219949 32 H 7.838230 8.531360 8.133857 2.632066 3.852376 6 7 8 9 10 6 N 0.000000 7 C 1.365336 0.000000 8 O 2.262562 1.197463 0.000000 9 N 2.368503 1.405565 2.241153 0.000000 10 C 2.731073 2.395685 3.465219 1.346719 0.000000 11 C 2.382957 2.759888 3.955716 2.337765 1.340705 12 H 3.844868 2.524652 2.320482 2.046757 3.235367 13 H 4.156410 2.983125 2.765615 2.715766 3.713154 14 H 5.428665 4.152105 3.986314 3.403962 4.237303 15 H 3.161554 4.312547 5.392095 4.541582 3.803905 16 C 2.917784 4.283061 5.047211 5.088980 4.865429 17 H 3.799120 3.342692 4.300659 2.061773 1.069331 18 Br 4.132873 4.651343 5.846931 4.082682 2.811860 19 H 4.675899 3.663467 3.956503 2.734142 3.138732 20 H 5.448968 4.300586 4.503415 3.128441 3.567646 21 O 2.803723 4.088903 4.595940 5.160311 5.244499 22 C 4.396034 5.757999 6.553715 6.458589 6.050518 23 C 5.320074 6.675304 7.308172 7.546044 7.283904 24 C 6.655800 8.017804 8.682513 8.826213 8.461799 25 C 7.176760 8.535095 9.337307 9.158881 8.597314 26 C 6.529808 7.848086 8.769168 8.295848 7.590120 27 C 5.160114 6.468755 7.409227 6.916329 6.248187 28 H 5.167093 6.470722 6.943363 7.497819 7.427975 29 H 7.432544 8.778841 9.348998 9.676941 9.397897 30 H 8.250096 9.607429 10.411278 10.212294 9.614514 31 H 7.228854 8.499401 9.489429 8.800655 7.962383 32 H 4.941503 6.156470 7.199271 6.396168 5.569181 11 12 13 14 15 11 C 0.000000 12 H 4.341704 0.000000 13 H 4.676644 2.469511 0.000000 14 H 5.468050 2.494964 1.758245 0.000000 15 H 2.474227 6.470875 6.680668 7.765162 0.000000 16 C 3.751242 6.730520 6.896733 8.248896 2.034700 17 H 2.116081 3.528348 4.023210 4.135202 4.543465 18 Br 1.891558 6.021034 6.283909 6.880699 2.519754 19 H 4.246416 3.046212 1.771009 1.763027 6.507315 20 H 4.890152 2.321886 3.588252 2.493869 7.322232 21 O 4.339548 6.544953 6.695712 8.144158 3.117419 22 C 4.805489 8.177304 8.314546 9.649610 2.511113 23 C 6.093489 9.131284 9.234764 10.663250 3.890072 24 C 7.212675 10.464301 10.553072 11.969639 4.851244 25 C 7.282517 10.929029 11.029056 12.354368 4.814063 26 C 6.253111 10.156227 10.281493 11.502038 3.792549 27 C 4.918628 8.774582 8.921166 10.133438 2.444973 28 H 6.347490 8.919413 9.011358 10.501820 4.407101 29 H 8.180138 11.232740 11.303005 12.769962 5.870013 30 H 8.289831 11.994337 12.084500 13.406116 5.815702 31 H 6.626125 10.715606 10.846362 11.978911 4.262145 32 H 4.229964 8.325976 8.497574 9.589278 1.866179 16 17 18 19 20 16 C 0.000000 17 H 5.827154 0.000000 18 Br 4.461955 2.951190 0.000000 19 H 7.233123 3.003337 5.470090 0.000000 20 H 8.136907 3.126099 6.041897 2.947978 0.000000 21 O 1.186433 6.280179 5.389098 7.319181 8.229369 22 C 1.507619 6.920478 4.995309 8.525508 9.448715 23 C 2.458826 8.203016 6.386177 9.626239 10.586125 24 C 3.751879 9.326594 7.235568 10.865123 11.835563 25 C 4.290216 9.354562 6.942187 11.125309 12.068796 26 C 3.828835 8.262447 5.695330 10.198389 11.095481 27 C 2.574701 6.967454 4.566630 8.864764 9.749581 28 H 2.596831 8.412359 6.924610 9.596233 10.562601 29 H 4.590581 10.294815 8.287436 11.723039 12.712583 30 H 5.364379 10.340220 7.828805 12.149626 13.097123 31 H 4.700539 8.523882 5.765281 10.602064 11.461762 32 H 2.853435 6.183181 3.598221 8.253175 9.081970 21 22 23 24 25 21 O 0.000000 22 C 2.352953 0.000000 23 C 2.741599 1.392618 0.000000 24 C 4.124233 2.411573 1.382642 0.000000 25 C 4.962008 2.785925 2.397695 1.386134 0.000000 26 C 4.762493 2.409583 2.765762 2.397248 1.384417 27 C 3.631409 1.391760 2.397949 2.770887 2.401101 28 H 2.382934 2.124908 1.071631 2.139029 3.373910 29 H 4.753227 3.382260 2.131755 1.074097 2.137875 30 H 6.011206 3.860405 3.372025 2.138164 1.074481 31 H 5.715035 3.378631 3.839919 3.373145 2.137781 32 H 4.025864 2.165292 3.389357 3.843971 3.354576 26 27 28 29 30 26 C 0.000000 27 C 1.385137 0.000000 28 H 3.837311 3.362866 0.000000 29 H 3.371926 3.844979 2.465501 0.000000 30 H 2.135424 3.374212 4.264723 2.465150 0.000000 31 H 1.074175 2.130266 4.911437 4.263318 2.463777 32 H 2.106325 1.074010 4.273812 4.918026 4.233801 31 32 31 H 0.000000 32 H 2.406805 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.519486 -0.739158 -0.198973 2 6 0 -5.107470 -0.924356 1.190158 3 8 0 -5.018039 0.404027 -0.829007 4 7 0 0.985933 -0.237549 -0.022448 5 6 0 -0.376338 -0.395811 -0.044958 6 7 0 -0.913913 -1.557937 -0.087139 7 6 0 -2.269021 -1.724459 -0.096871 8 8 0 -2.809541 -2.792791 -0.117451 9 7 0 -3.064120 -0.566281 -0.142224 10 6 0 -2.508635 0.659182 -0.084529 11 6 0 -1.177864 0.809451 -0.021635 12 1 0 -4.691850 -1.619196 -0.798791 13 1 0 -4.675721 -1.797037 1.664255 14 1 0 -6.183074 -1.070276 1.124691 15 1 0 1.293901 0.703038 0.007581 16 6 0 1.982706 -1.211056 -0.034834 17 1 0 -3.179142 1.491939 -0.104674 18 35 0 -0.426333 2.543605 0.055202 19 1 0 -4.916133 -0.047770 1.801157 20 1 0 -5.957874 0.322631 -0.931634 21 8 0 1.767267 -2.377423 -0.063059 22 6 0 3.392072 -0.676529 -0.005134 23 6 0 4.405041 -1.632182 -0.007112 24 6 0 5.733984 -1.251472 0.018738 25 6 0 6.069032 0.093274 0.046514 26 6 0 5.070155 1.051840 0.048427 27 6 0 3.738618 0.671107 0.022799 28 1 0 4.132142 -2.668252 -0.029003 29 1 0 6.504771 -1.999516 0.016979 30 1 0 7.100978 0.391938 0.066470 31 1 0 5.321526 2.095975 0.069550 32 1 0 3.002566 1.453234 0.024620 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5094745 0.1429045 0.1135307 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1893.1789922316 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= 339 RedAO= T EigKep= 4.21D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999999 -0.001300 0.000047 -0.000028 Ang= -0.15 deg. 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) = -3457.12113714 A.U. after 12 cycles NFock= 12 Conv=0.74D-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 0.000939097 0.000294750 -0.000102613 2 6 0.000926779 -0.000139975 0.000372338 3 8 0.000353219 -0.001306328 -0.000110058 4 7 0.001194980 0.000579478 -0.001193739 5 6 -0.000089636 0.000303736 0.001307067 6 7 0.001231647 -0.000103241 0.002325224 7 6 -0.002755614 -0.001530885 -0.009175925 8 8 0.000458366 0.000941628 0.004139214 9 7 0.000798919 0.000022653 0.001768636 10 6 -0.000056194 0.000302540 0.000132440 11 6 0.000694427 0.000412114 -0.000867153 12 1 -0.001025280 0.000230775 0.000460921 13 1 -0.000499106 -0.000605221 -0.000027106 14 1 -0.000239302 0.000662151 0.000092452 15 1 0.000122337 -0.000672307 -0.000055598 16 6 0.000848736 -0.000375679 -0.000001270 17 1 0.000077416 -0.000224542 -0.000137030 18 35 -0.001220459 -0.000156372 0.000695109 19 1 0.000210862 -0.000070348 -0.000366338 20 1 -0.000588196 0.001636087 0.000280490 21 8 -0.001011695 -0.000379807 0.000404859 22 6 0.000170651 0.000144462 -0.000187114 23 6 -0.000797733 0.000056051 0.000450843 24 6 -0.000279347 -0.001010676 0.000227202 25 6 0.000429893 -0.000640137 -0.000139963 26 6 0.000416996 -0.000288475 -0.000184952 27 6 -0.000076243 0.001083978 -0.000097528 28 1 0.000366560 0.000075320 -0.000208924 29 1 0.000316612 0.000427793 -0.000207462 30 1 -0.000345820 0.000434785 0.000133656 31 1 -0.000479699 0.000192801 0.000231916 32 1 -0.000093174 -0.000297107 0.000040408 ------------------------------------------------------------------- Cartesian Forces: Max 0.009175925 RMS 0.001247113 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002650741 RMS 0.000579094 Search for a local minimum. Step number 6 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 3 4 5 6 DE= 9.67D-06 DEPred=-2.40D-04 R=-4.02D-02 Trust test=-4.02D-02 RLast= 1.33D-01 DXMaxT set to 4.17D-01 ITU= -1 1 1 0 1 0 Eigenvalues --- 0.00282 0.00706 0.01076 0.01332 0.01520 Eigenvalues --- 0.01552 0.01592 0.01592 0.01689 0.01796 Eigenvalues --- 0.01813 0.01828 0.01925 0.02039 0.02063 Eigenvalues --- 0.02110 0.02115 0.02119 0.02131 0.02475 Eigenvalues --- 0.02515 0.02576 0.02577 0.02617 0.05043 Eigenvalues --- 0.05276 0.05574 0.05639 0.06577 0.08669 Eigenvalues --- 0.14061 0.15723 0.15891 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16003 0.16057 Eigenvalues --- 0.16217 0.17046 0.19370 0.21320 0.21848 Eigenvalues --- 0.22000 0.22861 0.23455 0.23797 0.24087 Eigenvalues --- 0.24412 0.24984 0.24991 0.24998 0.25045 Eigenvalues --- 0.26085 0.27572 0.28856 0.29959 0.33728 Eigenvalues --- 0.33750 0.33815 0.34046 0.34267 0.35113 Eigenvalues --- 0.35237 0.35349 0.38360 0.38371 0.38430 Eigenvalues --- 0.38443 0.38607 0.38689 0.40270 0.41076 Eigenvalues --- 0.42640 0.43748 0.45358 0.46396 0.49556 Eigenvalues --- 0.50397 0.52898 0.53858 0.55913 0.56209 Eigenvalues --- 0.58393 0.65344 0.72693 0.87782 0.91351 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 6 5 RFO step: Lambda=-5.21659733D-04. DidBck=T Rises=T En-DIIS coefs: 0.49499 0.50501 Iteration 1 RMS(Cart)= 0.02721177 RMS(Int)= 0.00029170 Iteration 2 RMS(Cart)= 0.00042480 RMS(Int)= 0.00004593 Iteration 3 RMS(Cart)= 0.00000007 RMS(Int)= 0.00004593 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87195 0.00034 -0.00195 0.00421 0.00226 2.87421 R2 2.64046 -0.00003 0.00065 -0.00127 -0.00062 2.63984 R3 2.77165 -0.00069 0.00034 -0.00087 -0.00053 2.77113 R4 2.03877 -0.00089 -0.00066 0.00105 0.00039 2.03916 R5 2.04645 -0.00077 -0.00001 -0.00051 -0.00053 2.04592 R6 2.05494 -0.00071 -0.00057 0.00083 0.00026 2.05520 R7 2.05132 -0.00042 0.00006 -0.00018 -0.00012 2.05119 R8 1.79320 -0.00176 0.00057 -0.00147 -0.00090 1.79230 R9 2.59198 -0.00101 0.00061 -0.00166 -0.00104 2.59094 R10 1.87116 -0.00015 0.00015 -0.00048 -0.00033 1.87083 R11 2.63305 -0.00084 0.00030 -0.00078 -0.00048 2.63257 R12 2.42099 0.00002 -0.00080 0.00240 0.00160 2.42259 R13 2.73563 -0.00005 0.00124 -0.00283 -0.00162 2.73401 R14 2.58011 -0.00037 0.00220 -0.00529 -0.00306 2.57705 R15 2.26288 -0.00159 0.00014 0.00002 0.00016 2.26304 R16 2.65613 -0.00029 -0.00030 0.00167 0.00141 2.65754 R17 2.54493 -0.00003 0.00151 -0.00350 -0.00199 2.54294 R18 2.53356 -0.00009 -0.00062 0.00200 0.00136 2.53492 R19 2.02074 0.00011 0.00037 -0.00079 -0.00042 2.02032 R20 3.57453 0.00138 0.00229 0.00266 0.00494 3.57947 R21 2.24203 -0.00112 -0.00021 0.00042 0.00021 2.24224 R22 2.84899 0.00037 0.00175 -0.00374 -0.00198 2.84701 R23 2.63167 -0.00045 -0.00311 0.00781 0.00470 2.63637 R24 2.63005 0.00026 0.00237 -0.00600 -0.00363 2.62642 R25 2.61281 -0.00050 0.00331 -0.00816 -0.00485 2.60796 R26 2.02509 0.00042 0.00067 -0.00124 -0.00058 2.02451 R27 2.61941 -0.00016 -0.00335 0.00843 0.00507 2.62449 R28 2.02975 0.00055 0.00067 -0.00121 -0.00054 2.02921 R29 2.61617 -0.00031 0.00365 -0.00875 -0.00509 2.61107 R30 2.03048 0.00057 0.00064 -0.00116 -0.00051 2.02996 R31 2.61753 -0.00026 -0.00325 0.00822 0.00497 2.62250 R32 2.02990 0.00052 0.00052 -0.00094 -0.00042 2.02948 R33 2.02958 0.00031 0.00047 -0.00099 -0.00051 2.02907 A1 1.95390 0.00006 -0.00143 0.00252 0.00110 1.95499 A2 1.94217 0.00083 -0.00133 0.00319 0.00187 1.94404 A3 1.92513 0.00005 0.00147 -0.00209 -0.00062 1.92451 A4 1.84945 -0.00064 -0.00134 0.00207 0.00074 1.85019 A5 1.93872 0.00008 0.00183 -0.00351 -0.00168 1.93705 A6 1.85062 -0.00042 0.00078 -0.00226 -0.00148 1.84914 A7 1.92209 0.00012 -0.00102 0.00232 0.00130 1.92338 A8 1.92198 -0.00005 -0.00079 0.00095 0.00017 1.92214 A9 1.92611 0.00004 0.00267 -0.00554 -0.00287 1.92324 A10 1.88869 -0.00008 -0.00040 0.00069 0.00029 1.88899 A11 1.91140 -0.00002 -0.00039 0.00137 0.00098 1.91238 A12 1.89294 -0.00002 -0.00013 0.00032 0.00019 1.89312 A13 1.90919 0.00002 0.00138 -0.00234 -0.00096 1.90823 A14 2.00315 -0.00101 -0.00193 0.00359 0.00166 2.00481 A15 2.25202 0.00077 0.00313 -0.00687 -0.00374 2.24827 A16 2.02802 0.00024 -0.00120 0.00328 0.00208 2.03010 A17 2.11994 -0.00014 0.00202 -0.00527 -0.00325 2.11669 A18 2.04157 -0.00005 -0.00162 0.00376 0.00213 2.04371 A19 2.12167 0.00019 -0.00041 0.00151 0.00112 2.12279 A20 2.12626 0.00021 0.00225 -0.00411 -0.00176 2.12450 A21 2.16149 -0.00024 -0.00207 0.00448 0.00216 2.16365 A22 2.05011 -0.00029 -0.00195 0.00439 0.00238 2.05249 A23 2.07059 0.00070 0.00438 -0.00779 -0.00365 2.06694 A24 2.05492 -0.00010 0.00300 -0.00658 -0.00362 2.05130 A25 2.11554 -0.00018 -0.00362 0.00755 0.00390 2.11944 A26 2.11191 0.00029 0.00080 -0.00133 -0.00043 2.11148 A27 2.10996 0.00014 0.00108 -0.00134 -0.00023 2.10973 A28 2.03667 -0.00031 -0.00321 0.00645 0.00322 2.03989 A29 2.13647 0.00017 0.00212 -0.00507 -0.00296 2.13351 A30 2.04374 -0.00042 -0.00079 0.00086 0.00006 2.04379 A31 2.14595 0.00078 0.00125 -0.00187 -0.00062 2.14533 A32 2.09327 -0.00035 -0.00040 0.00109 0.00069 2.09396 A33 2.16177 -0.00030 0.00102 -0.00279 -0.00177 2.16000 A34 2.00519 0.00007 -0.00040 0.00154 0.00114 2.00633 A35 2.11621 0.00024 -0.00062 0.00125 0.00064 2.11685 A36 2.02267 -0.00000 -0.00113 0.00194 0.00081 2.02348 A37 2.18521 0.00030 0.00165 -0.00284 -0.00119 2.18401 A38 2.07531 -0.00029 -0.00052 0.00090 0.00038 2.07569 A39 2.10616 0.00007 0.00110 -0.00235 -0.00125 2.10491 A40 2.06946 0.00003 0.00116 -0.00298 -0.00182 2.06764 A41 2.10757 -0.00009 -0.00226 0.00533 0.00307 2.11063 A42 2.09420 0.00020 -0.00068 0.00161 0.00093 2.09513 A43 2.09203 -0.00024 -0.00201 0.00472 0.00272 2.09474 A44 2.09696 0.00004 0.00268 -0.00633 -0.00365 2.09331 A45 2.09134 -0.00001 -0.00045 0.00093 0.00048 2.09182 A46 2.09691 0.00008 0.00221 -0.00529 -0.00308 2.09383 A47 2.09493 -0.00006 -0.00176 0.00436 0.00260 2.09753 A48 2.09815 -0.00024 0.00075 -0.00185 -0.00110 2.09705 A49 2.09927 -0.00011 -0.00252 0.00585 0.00333 2.10260 A50 2.08576 0.00035 0.00177 -0.00400 -0.00223 2.08354 A51 2.10121 0.00027 -0.00021 0.00077 0.00056 2.10177 A52 2.13475 -0.00019 -0.00068 0.00176 0.00108 2.13583 A53 2.04723 -0.00008 0.00089 -0.00253 -0.00164 2.04558 D1 -3.10661 0.00009 -0.00158 0.00369 0.00211 -3.10451 D2 1.09505 0.00014 0.00003 0.00080 0.00083 1.09588 D3 -0.99425 0.00018 -0.00100 0.00331 0.00231 -0.99194 D4 -1.04062 -0.00012 -0.00509 0.01011 0.00502 -1.03560 D5 -3.12214 -0.00007 -0.00347 0.00722 0.00375 -3.11839 D6 1.07175 -0.00003 -0.00450 0.00973 0.00522 1.07697 D7 1.00828 -0.00009 -0.00402 0.00797 0.00395 1.01223 D8 -1.07323 -0.00004 -0.00240 0.00507 0.00267 -1.07056 D9 3.12065 -0.00001 -0.00343 0.00758 0.00415 3.12480 D10 -1.07155 0.00013 -0.00105 0.00082 -0.00024 -1.07179 D11 3.09134 -0.00051 0.00226 -0.00591 -0.00365 3.08769 D12 1.08913 0.00030 0.00118 -0.00267 -0.00149 1.08765 D13 1.47370 -0.00023 0.02132 -0.05725 -0.03593 1.43777 D14 -1.62510 -0.00032 0.01579 -0.04787 -0.03209 -1.65719 D15 -2.68167 -0.00008 0.01797 -0.05101 -0.03303 -2.71470 D16 0.50272 -0.00017 0.01245 -0.04163 -0.02919 0.47353 D17 -0.61992 -0.00049 0.01980 -0.05511 -0.03530 -0.65522 D18 2.56446 -0.00059 0.01427 -0.04573 -0.03146 2.53300 D19 3.13886 -0.00013 -0.00182 0.00097 -0.00085 3.13802 D20 -0.00060 0.00001 -0.00018 -0.00003 -0.00022 -0.00082 D21 -0.00381 -0.00012 -0.00104 -0.00057 -0.00159 -0.00540 D22 3.13991 0.00001 0.00061 -0.00156 -0.00097 3.13894 D23 -0.00565 0.00004 0.00122 -0.00159 -0.00037 -0.00603 D24 3.13910 -0.00008 -0.00057 -0.00080 -0.00137 3.13773 D25 3.13485 0.00004 0.00202 -0.00314 -0.00113 3.13372 D26 -0.00359 -0.00007 0.00023 -0.00236 -0.00213 -0.00571 D27 3.13045 0.00087 0.00645 0.00045 0.00691 3.13735 D28 -0.01337 0.00073 0.00472 0.00149 0.00625 -0.00712 D29 3.10723 0.00031 0.00498 -0.00002 0.00493 3.11216 D30 -0.01136 -0.00015 0.00113 -0.00390 -0.00275 -0.01411 D31 -0.03223 0.00044 0.00661 -0.00101 0.00556 -0.02667 D32 3.13236 -0.00002 0.00277 -0.00488 -0.00212 3.13025 D33 -3.12317 0.00265 0.02049 0.02567 0.04647 -3.07670 D34 0.06700 -0.00176 -0.01696 -0.00072 -0.01771 0.04929 D35 3.10609 0.00160 0.01319 0.00864 0.02186 3.12794 D36 -0.07821 0.00168 0.01862 -0.00049 0.01815 -0.06005 D37 0.01046 -0.00256 -0.02234 -0.01666 -0.03882 -0.02836 D38 3.10936 -0.00247 -0.01691 -0.02579 -0.04253 3.06683 D39 3.13183 -0.00046 -0.00196 -0.00915 -0.01101 3.12082 D40 -0.02338 -0.00040 -0.00249 -0.00631 -0.00874 -0.03212 D41 0.03443 -0.00055 -0.00770 0.00065 -0.00697 0.02746 D42 -3.12078 -0.00049 -0.00823 0.00350 -0.00470 -3.12548 D43 0.02028 -0.00050 -0.00478 -0.00014 -0.00492 0.01536 D44 3.13959 -0.00004 -0.00104 0.00357 0.00250 -3.14109 D45 -3.10691 -0.00057 -0.00418 -0.00324 -0.00737 -3.11428 D46 0.01241 -0.00011 -0.00044 0.00047 0.00006 0.01247 D47 3.13379 0.00001 0.00212 -0.00507 -0.00295 3.13084 D48 -0.00828 0.00000 0.00220 -0.00541 -0.00320 -0.01148 D49 -0.00473 -0.00010 0.00038 -0.00429 -0.00391 -0.00865 D50 3.13638 -0.00011 0.00047 -0.00463 -0.00417 3.13221 D51 3.14159 0.00000 0.00008 -0.00008 0.00000 3.14159 D52 -0.00010 0.00000 0.00005 -0.00008 -0.00003 -0.00013 D53 0.00044 0.00001 -0.00000 0.00024 0.00024 0.00068 D54 -3.14125 0.00001 -0.00004 0.00024 0.00020 -3.14104 D55 -3.14132 -0.00000 -0.00012 0.00013 0.00001 -3.14131 D56 -0.00074 -0.00001 0.00008 -0.00056 -0.00048 -0.00122 D57 -0.00022 -0.00001 -0.00003 -0.00022 -0.00025 -0.00047 D58 3.14036 -0.00002 0.00017 -0.00092 -0.00074 3.13962 D59 -0.00039 0.00000 -0.00001 0.00001 -0.00000 -0.00040 D60 3.14148 -0.00000 -0.00002 -0.00006 -0.00008 3.14140 D61 3.14129 0.00000 0.00003 0.00001 0.00003 3.14133 D62 -0.00002 -0.00000 0.00002 -0.00006 -0.00004 -0.00006 D63 0.00013 -0.00001 0.00005 -0.00028 -0.00023 -0.00010 D64 -3.14141 0.00000 0.00000 0.00001 0.00001 -3.14140 D65 3.14144 -0.00001 0.00006 -0.00021 -0.00015 3.14129 D66 -0.00010 0.00000 0.00001 0.00008 0.00009 -0.00001 D67 0.00009 0.00001 -0.00009 0.00030 0.00022 0.00031 D68 -3.14125 0.00001 -0.00009 0.00047 0.00037 -3.14088 D69 -3.14156 -0.00000 -0.00004 0.00002 -0.00002 -3.14158 D70 0.00029 0.00000 -0.00004 0.00018 0.00014 0.00042 D71 -0.00004 0.00000 0.00007 -0.00005 0.00002 -0.00002 D72 -3.14067 0.00001 -0.00012 0.00061 0.00049 -3.14018 D73 3.14130 -0.00000 0.00008 -0.00021 -0.00013 3.14117 D74 0.00067 0.00001 -0.00011 0.00045 0.00034 0.00100 Item Value Threshold Converged? Maximum Force 0.002651 0.000450 NO RMS Force 0.000579 0.000300 NO Maximum Displacement 0.099441 0.001800 NO RMS Displacement 0.027230 0.001200 NO Predicted change in Energy=-2.647342D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.665772 -6.525969 1.282738 2 6 0 7.656523 -6.863143 2.386397 3 8 0 5.587016 -7.413184 1.258509 4 7 0 4.630998 -1.425465 1.932467 5 6 0 5.166542 -2.677294 1.771408 6 7 0 6.292873 -2.848795 1.183671 7 6 0 6.836273 -4.089186 1.022840 8 8 0 7.912852 -4.290380 0.538461 9 7 0 6.087798 -5.191661 1.472333 10 6 0 4.910862 -5.019595 2.101638 11 6 0 4.403844 -3.792031 2.289880 12 1 0 7.165801 -6.499395 0.326878 13 1 0 8.459519 -6.137141 2.402582 14 1 0 8.089572 -7.845646 2.213314 15 1 0 3.756645 -1.403230 2.396275 16 6 0 5.150934 -0.195538 1.535401 17 1 0 4.404204 -5.902299 2.428935 18 35 0 2.745309 -3.579365 3.179784 19 1 0 7.155709 -6.872912 3.349351 20 1 0 5.905633 -8.290375 1.089505 21 8 0 6.190512 -0.068189 0.977779 22 6 0 4.290817 0.995615 1.868730 23 6 0 4.798416 2.239319 1.492078 24 6 0 4.089712 3.394958 1.750622 25 6 0 2.859080 3.327367 2.390772 26 6 0 2.346369 2.100935 2.767792 27 6 0 3.058318 0.938264 2.508506 28 1 0 5.748834 2.274894 0.998946 29 1 0 4.489335 4.347337 1.456771 30 1 0 2.308375 4.227619 2.591266 31 1 0 1.395425 2.037096 3.262774 32 1 0 2.615128 0.011391 2.820598 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520966 0.000000 3 O 1.396944 2.420235 0.000000 4 N 5.529701 6.239246 6.100899 0.000000 5 C 4.159181 4.909129 4.782104 1.371066 0.000000 6 N 3.697360 4.406935 4.619251 2.312659 1.281979 7 C 2.456528 3.197958 3.558813 3.575761 2.311232 8 O 2.665897 3.177999 3.959783 4.574009 3.415322 9 N 1.466417 2.467846 2.287284 4.064261 2.694476 10 C 2.453461 3.319400 2.626275 3.608977 2.379243 11 C 3.688505 4.474479 3.946691 2.404158 1.446776 12 H 1.079075 2.148194 2.048294 5.894736 4.548864 13 H 2.150061 1.082655 3.344916 6.089209 4.817947 14 H 2.152841 1.087567 2.713202 7.297899 5.954095 15 H 5.995451 6.709679 6.384693 0.990003 2.000377 16 C 6.514056 7.173502 7.236107 1.393096 2.493002 17 H 2.611020 3.391550 2.247602 4.509985 3.378485 18 Br 5.258450 5.960931 5.144392 3.122645 2.942724 19 H 2.152045 1.085445 2.669141 6.168987 4.904070 20 H 1.930876 2.604714 0.948443 7.032942 5.702449 21 O 6.482421 7.092587 7.375090 2.277215 2.913038 22 C 7.909363 8.564814 8.529971 2.445694 3.777119 23 C 8.964436 9.582453 9.687479 3.694945 4.938282 24 C 10.260594 10.879108 10.922455 4.854125 6.167028 25 C 10.621058 11.263302 11.139259 5.093049 6.462503 26 C 9.761460 10.425828 10.163571 4.284016 5.637165 27 C 8.380394 9.056509 8.814958 2.896957 4.249727 28 H 8.853050 9.437585 9.692905 3.976641 5.045783 29 H 11.090354 11.686323 11.813300 5.794101 7.064209 30 H 11.676421 12.314612 12.166923 6.147028 7.517919 31 H 10.248082 10.917126 10.530636 4.922193 6.218599 32 H 7.842818 8.536007 8.148408 2.630031 3.852212 6 7 8 9 10 6 N 0.000000 7 C 1.363715 0.000000 8 O 2.262475 1.197549 0.000000 9 N 2.369473 1.406311 2.239474 0.000000 10 C 2.732214 2.395136 3.462257 1.345664 0.000000 11 C 2.383657 2.758695 3.953347 2.337316 1.341422 12 H 3.850062 2.530230 2.341495 2.045563 3.228674 13 H 4.122295 2.955121 2.680358 2.717417 3.732619 14 H 5.408956 4.135092 3.933990 3.405846 4.254790 15 H 3.161095 4.311008 5.390841 4.543143 3.807508 16 C 2.909899 4.273591 5.038831 5.083595 4.863105 17 H 3.800216 3.343568 4.299161 2.062664 1.069108 18 Br 4.135627 4.652775 5.846848 4.084988 2.815365 19 H 4.650610 3.641954 3.891508 2.736829 3.167161 20 H 5.456154 4.303549 4.509161 3.127582 3.565388 21 O 2.790096 4.072769 4.581086 5.148310 5.236123 22 C 4.388283 5.748920 6.544502 6.455127 6.051567 23 C 5.312008 6.665059 7.296991 7.542040 7.285331 24 C 6.645284 8.005352 8.668919 8.820420 8.461808 25 C 7.168892 8.526110 9.327473 9.156527 8.600301 26 C 6.525654 7.843576 8.763821 8.298100 7.597521 27 C 5.153576 6.461841 7.401776 6.915734 6.252483 28 H 5.155802 6.456361 6.928048 7.489221 7.424803 29 H 7.423723 8.767630 9.336698 9.672012 9.398562 30 H 8.242159 9.598493 10.400985 10.210724 9.618921 31 H 7.223545 8.494201 9.483443 8.802214 7.968903 32 H 4.938218 6.153432 7.195781 6.399141 5.576568 11 12 13 14 15 11 C 0.000000 12 H 4.337235 0.000000 13 H 4.686228 2.472545 0.000000 14 H 5.479256 2.494871 1.758315 0.000000 15 H 2.477207 6.471140 6.672853 7.766109 0.000000 16 C 3.749953 6.727469 6.855756 8.223097 2.035600 17 H 2.114845 3.521589 4.062194 4.171933 4.545550 18 Br 1.894175 6.017176 6.308602 6.906256 2.524331 19 H 4.264630 3.045482 1.771341 1.763205 6.509947 20 H 4.891970 2.318886 3.589279 2.496061 7.332023 21 O 4.333680 6.537222 6.634051 8.100729 3.117398 22 C 4.807463 8.174229 8.278845 9.628976 2.513584 23 C 6.096668 9.128381 9.186826 10.632893 3.895000 24 C 7.214034 10.458852 10.506244 11.940022 4.852876 25 C 7.285761 10.925785 10.997362 12.337981 4.814998 26 C 6.260084 10.156312 10.264983 11.498969 3.795534 27 C 4.922797 8.772097 8.901996 10.127079 2.445987 28 H 6.346896 8.913340 8.948762 10.458445 4.410209 29 H 8.182340 11.229058 11.250831 12.735891 5.872694 30 H 8.294373 11.991284 12.054063 13.391371 5.817386 31 H 6.631428 10.713935 10.837873 11.982552 4.261693 32 H 4.236412 8.325719 8.493296 9.595382 1.866618 16 17 18 19 20 16 C 0.000000 17 H 5.824357 0.000000 18 Br 4.465570 2.951565 0.000000 19 H 7.203948 3.059418 5.507072 0.000000 20 H 8.142161 3.122703 6.045704 2.945980 0.000000 21 O 1.186542 6.271650 5.389490 7.270502 8.227878 22 C 1.506570 6.921554 5.003789 8.503738 9.457507 23 C 2.460625 8.204819 6.396928 9.593698 10.595398 24 C 3.750222 9.327272 7.245074 10.834455 11.844056 25 C 4.288952 9.358184 6.952584 11.109707 12.080841 26 C 3.828597 8.270506 5.709176 10.197935 11.111451 27 C 2.571280 6.972162 4.577942 8.860592 9.761585 28 H 2.597749 8.409482 6.931779 9.549139 10.566821 29 H 4.591471 10.295990 8.297168 11.686976 12.722129 30 H 5.362771 10.345729 7.841317 12.136438 13.110902 31 H 4.698118 8.531239 5.776998 10.610212 11.477009 32 H 2.850414 6.190793 3.611023 8.263781 9.096341 21 22 23 24 25 21 O 0.000000 22 C 2.352512 0.000000 23 C 2.743543 1.395106 0.000000 24 C 4.123595 2.410650 1.380075 0.000000 25 C 4.962337 2.785582 2.398442 1.388818 0.000000 26 C 4.763053 2.410585 2.767513 2.397576 1.381721 27 C 3.628596 1.389841 2.398711 2.770109 2.400286 28 H 2.384443 2.125768 1.071325 2.138281 3.375731 29 H 4.756082 3.382774 2.130849 1.073813 2.137856 30 H 6.010682 3.859791 3.370735 2.138497 1.074210 31 H 5.713693 3.378067 3.841433 3.374844 2.137165 32 H 4.023143 2.163951 3.390483 3.842886 3.352605 26 27 28 29 30 26 C 0.000000 27 C 1.387770 0.000000 28 H 3.838729 3.362176 0.000000 29 H 3.370074 3.843922 2.467988 0.000000 30 H 2.134336 3.374777 4.264432 2.461300 0.000000 31 H 1.073954 2.131095 4.912599 4.262762 2.466332 32 H 2.107419 1.073738 4.273403 4.916615 4.233589 31 32 31 H 0.000000 32 H 2.405551 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.516650 -0.743081 -0.200654 2 6 0 -5.085481 -0.991185 1.187947 3 8 0 -5.033616 0.419042 -0.778295 4 7 0 0.986318 -0.228100 -0.028256 5 6 0 -0.375364 -0.385784 -0.056174 6 7 0 -0.909702 -1.550074 -0.104953 7 6 0 -2.262882 -1.717658 -0.128149 8 8 0 -2.805327 -2.785139 -0.109090 9 7 0 -3.062210 -0.560984 -0.157995 10 6 0 -2.509924 0.664461 -0.094143 11 6 0 -1.178690 0.817225 -0.031727 12 1 0 -4.689789 -1.599420 -0.833986 13 1 0 -4.638362 -1.876293 1.622470 14 1 0 -6.160334 -1.146486 1.129870 15 1 0 1.295979 0.711608 0.005888 16 6 0 1.978977 -1.205452 -0.039511 17 1 0 -3.179670 1.497693 -0.106650 18 35 0 -0.428619 2.554235 0.058199 19 1 0 -4.895773 -0.135952 1.828868 20 1 0 -5.973264 0.331490 -0.872856 21 8 0 1.756805 -2.370581 -0.071089 22 6 0 3.390039 -0.678677 -0.005344 23 6 0 4.400546 -1.640544 -0.002443 24 6 0 5.728127 -1.264750 0.027766 25 6 0 6.069280 0.081237 0.055167 26 6 0 5.076778 1.042528 0.051990 27 6 0 3.741483 0.665720 0.021873 28 1 0 4.121317 -2.674615 -0.024053 29 1 0 6.498347 -2.012967 0.029917 30 1 0 7.103013 0.372408 0.078488 31 1 0 5.329367 2.086157 0.072353 32 1 0 3.009668 1.451439 0.019375 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5075457 0.1430725 0.1134816 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1893.1529479954 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= 339 RedAO= T EigKep= 4.21D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999998 -0.002044 -0.000199 -0.000117 Ang= -0.24 deg. 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) = -3457.12129663 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 0.001778626 -0.000000614 -0.000463247 2 6 0.000256677 0.000052905 0.000293288 3 8 0.000237505 -0.000847424 0.000041453 4 7 0.001249506 0.000590461 -0.000823787 5 6 -0.000022241 0.000463850 -0.000003863 6 7 -0.000987795 -0.000615990 -0.000082263 7 6 0.002678227 -0.001830522 0.001544884 8 8 -0.001454074 0.000956009 -0.000755207 9 7 -0.000347546 0.000413393 -0.000429859 10 6 -0.001166642 0.000833343 0.000381028 11 6 0.000330836 0.000445771 -0.000366849 12 1 -0.000683279 0.000019713 0.000450837 13 1 -0.000711596 -0.000676422 -0.000103048 14 1 -0.000441609 0.000683455 -0.000012327 15 1 -0.000002348 -0.000688324 0.000183975 16 6 0.001306269 -0.000513475 -0.000482874 17 1 0.000363103 -0.000578451 -0.000192584 18 35 -0.000217062 -0.000314867 0.000035731 19 1 0.000241426 -0.000142731 -0.000248663 20 1 -0.000487371 0.001103646 0.000248770 21 8 -0.001154772 0.000191890 0.000506122 22 6 0.000567042 0.001213664 -0.000445376 23 6 -0.000884296 -0.002146573 0.000703448 24 6 -0.002123262 -0.000013414 0.001087540 25 6 0.002113926 0.000491644 -0.001133377 26 6 0.000900574 -0.002650355 -0.000222915 27 6 -0.001197680 0.002362113 0.000369062 28 1 0.000566662 0.000290140 -0.000327880 29 1 0.000639337 0.000502991 -0.000372559 30 1 -0.000618449 0.000492273 0.000272779 31 1 -0.000638190 0.000433112 0.000292353 32 1 -0.000091506 -0.000521211 0.000055409 ------------------------------------------------------------------- Cartesian Forces: Max 0.002678227 RMS 0.000881716 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002151408 RMS 0.000507221 Search for a local minimum. Step number 7 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 3 4 5 6 7 DE= -1.59D-04 DEPred=-2.65D-04 R= 6.02D-01 TightC=F SS= 1.41D+00 RLast= 1.19D-01 DXNew= 7.0190D-01 3.5765D-01 Trust test= 6.02D-01 RLast= 1.19D-01 DXMaxT set to 4.17D-01 ITU= 1 -1 1 1 0 1 0 Eigenvalues --- 0.00282 0.00729 0.01081 0.01332 0.01520 Eigenvalues --- 0.01581 0.01591 0.01592 0.01691 0.01797 Eigenvalues --- 0.01827 0.01828 0.01930 0.02039 0.02061 Eigenvalues --- 0.02108 0.02115 0.02119 0.02129 0.02474 Eigenvalues --- 0.02518 0.02575 0.02616 0.02618 0.05067 Eigenvalues --- 0.05582 0.05634 0.05828 0.08257 0.08638 Eigenvalues --- 0.15151 0.15656 0.15893 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16003 0.16006 0.16123 Eigenvalues --- 0.16395 0.17001 0.19302 0.21356 0.21999 Eigenvalues --- 0.22009 0.23424 0.23597 0.23876 0.24369 Eigenvalues --- 0.24672 0.24990 0.24998 0.25005 0.25477 Eigenvalues --- 0.27172 0.27887 0.29582 0.30533 0.33732 Eigenvalues --- 0.33766 0.33820 0.34185 0.34791 0.34998 Eigenvalues --- 0.35254 0.35643 0.38369 0.38402 0.38438 Eigenvalues --- 0.38572 0.38673 0.38902 0.40429 0.41614 Eigenvalues --- 0.42672 0.43802 0.45385 0.46247 0.49841 Eigenvalues --- 0.50447 0.52144 0.53785 0.55898 0.56140 Eigenvalues --- 0.58154 0.65980 0.72738 0.87913 0.90035 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 7 6 5 RFO step: Lambda=-1.49976483D-04. DidBck=T Rises=F RFO-DIIS coefs: 0.73486 0.20914 0.05601 Iteration 1 RMS(Cart)= 0.01156626 RMS(Int)= 0.00003833 Iteration 2 RMS(Cart)= 0.00007184 RMS(Int)= 0.00001401 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00001401 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87421 -0.00046 -0.00081 -0.00037 -0.00118 2.87303 R2 2.63984 0.00003 0.00024 0.00012 0.00036 2.64020 R3 2.77113 -0.00013 0.00018 -0.00075 -0.00057 2.77056 R4 2.03916 -0.00072 -0.00018 -0.00179 -0.00197 2.03719 R5 2.04592 -0.00098 0.00014 -0.00185 -0.00171 2.04421 R6 2.05520 -0.00079 -0.00013 -0.00167 -0.00180 2.05340 R7 2.05119 -0.00033 0.00004 -0.00088 -0.00084 2.05036 R8 1.79230 -0.00123 0.00030 -0.00228 -0.00198 1.79032 R9 2.59094 -0.00025 0.00034 -0.00129 -0.00095 2.58999 R10 1.87083 0.00007 0.00010 -0.00003 0.00007 1.87091 R11 2.63257 -0.00020 0.00016 -0.00108 -0.00092 2.63165 R12 2.42259 -0.00030 -0.00051 -0.00072 -0.00123 2.42136 R13 2.73401 -0.00010 0.00057 0.00028 0.00086 2.73487 R14 2.57705 0.00044 0.00106 0.00065 0.00169 2.57874 R15 2.26304 -0.00116 -0.00003 -0.00147 -0.00150 2.26154 R16 2.65754 -0.00034 -0.00041 -0.00124 -0.00166 2.65588 R17 2.54294 0.00026 0.00070 0.00069 0.00139 2.54433 R18 2.53492 -0.00041 -0.00043 -0.00078 -0.00120 2.53372 R19 2.02032 0.00025 0.00015 0.00036 0.00051 2.02084 R20 3.57947 0.00017 -0.00106 0.00294 0.00189 3.58136 R21 2.24224 -0.00123 -0.00008 -0.00108 -0.00116 2.24108 R22 2.84701 0.00086 0.00072 0.00170 0.00242 2.84942 R23 2.63637 -0.00146 -0.00159 -0.00254 -0.00413 2.63224 R24 2.62642 0.00078 0.00123 0.00219 0.00341 2.62983 R25 2.60796 0.00063 0.00165 0.00119 0.00284 2.61081 R26 2.02451 0.00066 0.00023 0.00112 0.00135 2.02586 R27 2.62449 -0.00139 -0.00172 -0.00234 -0.00406 2.62043 R28 2.02921 0.00079 0.00022 0.00137 0.00158 2.03080 R29 2.61107 0.00095 0.00176 0.00177 0.00353 2.61460 R30 2.02996 0.00078 0.00021 0.00138 0.00158 2.03155 R31 2.62250 -0.00141 -0.00168 -0.00239 -0.00407 2.61844 R32 2.02948 0.00067 0.00017 0.00122 0.00139 2.03087 R33 2.02907 0.00050 0.00019 0.00085 0.00104 2.03011 A1 1.95499 -0.00019 -0.00045 -0.00038 -0.00082 1.95417 A2 1.94404 0.00064 -0.00064 0.00249 0.00185 1.94589 A3 1.92451 0.00014 0.00033 0.00201 0.00234 1.92685 A4 1.85019 -0.00061 -0.00034 -0.00293 -0.00327 1.84692 A5 1.93705 0.00014 0.00065 -0.00039 0.00026 1.93730 A6 1.84914 -0.00014 0.00048 -0.00100 -0.00053 1.84861 A7 1.92338 -0.00004 -0.00046 0.00016 -0.00030 1.92308 A8 1.92214 -0.00033 -0.00013 -0.00108 -0.00121 1.92093 A9 1.92324 0.00026 0.00106 0.00112 0.00217 1.92541 A10 1.88899 0.00012 -0.00012 -0.00021 -0.00033 1.88866 A11 1.91238 0.00001 -0.00030 0.00034 0.00004 1.91242 A12 1.89312 -0.00001 -0.00006 -0.00035 -0.00042 1.89271 A13 1.90823 0.00015 0.00041 0.00045 0.00086 1.90909 A14 2.00481 -0.00173 -0.00065 -0.00503 -0.00568 1.99912 A15 2.24827 0.00215 0.00134 0.00417 0.00551 2.25378 A16 2.03010 -0.00042 -0.00068 0.00086 0.00018 2.03028 A17 2.11669 0.00122 0.00109 0.00128 0.00236 2.11905 A18 2.04371 -0.00092 -0.00075 -0.00101 -0.00175 2.04195 A19 2.12279 -0.00031 -0.00034 -0.00028 -0.00062 2.12217 A20 2.12450 0.00067 0.00072 0.00143 0.00212 2.12662 A21 2.16365 -0.00062 -0.00080 -0.00158 -0.00227 2.16138 A22 2.05249 -0.00070 -0.00085 -0.00155 -0.00233 2.05016 A23 2.06694 0.00134 0.00145 0.00313 0.00470 2.07163 A24 2.05130 0.00043 0.00129 0.00077 0.00207 2.05337 A25 2.11944 -0.00063 -0.00144 -0.00151 -0.00294 2.11650 A26 2.11148 0.00020 0.00020 0.00096 0.00114 2.11262 A27 2.10973 0.00014 0.00018 0.00025 0.00043 2.11016 A28 2.03989 -0.00074 -0.00121 -0.00270 -0.00391 2.03598 A29 2.13351 0.00060 0.00102 0.00242 0.00344 2.13695 A30 2.04379 -0.00001 -0.00010 -0.00051 -0.00060 2.04319 A31 2.14533 0.00060 0.00030 0.00234 0.00264 2.14797 A32 2.09396 -0.00058 -0.00023 -0.00183 -0.00206 2.09190 A33 2.16000 0.00052 0.00058 -0.00030 0.00029 2.16029 A34 2.00633 -0.00029 -0.00035 -0.00017 -0.00051 2.00582 A35 2.11685 -0.00023 -0.00024 0.00047 0.00023 2.11708 A36 2.02348 -0.00032 -0.00034 -0.00034 -0.00068 2.02280 A37 2.18401 0.00064 0.00050 0.00142 0.00192 2.18593 A38 2.07569 -0.00032 -0.00016 -0.00109 -0.00125 2.07445 A39 2.10491 0.00029 0.00045 0.00070 0.00115 2.10606 A40 2.06764 0.00013 0.00061 0.00103 0.00164 2.06928 A41 2.11063 -0.00042 -0.00106 -0.00173 -0.00279 2.10784 A42 2.09513 0.00000 -0.00032 0.00017 -0.00015 2.09498 A43 2.09474 -0.00043 -0.00094 -0.00211 -0.00306 2.09169 A44 2.09331 0.00043 0.00126 0.00194 0.00320 2.09652 A45 2.09182 -0.00013 -0.00018 -0.00027 -0.00045 2.09137 A46 2.09383 0.00037 0.00106 0.00164 0.00270 2.09653 A47 2.09753 -0.00024 -0.00088 -0.00137 -0.00225 2.09528 A48 2.09705 -0.00005 0.00038 -0.00025 0.00013 2.09718 A49 2.10260 -0.00046 -0.00116 -0.00216 -0.00332 2.09928 A50 2.08354 0.00051 0.00079 0.00240 0.00319 2.08673 A51 2.10177 0.00022 -0.00017 0.00073 0.00056 2.10233 A52 2.13583 -0.00028 -0.00036 -0.00134 -0.00170 2.13413 A53 2.04558 0.00006 0.00053 0.00060 0.00114 2.04672 D1 -3.10451 0.00012 -0.00073 0.00130 0.00057 -3.10394 D2 1.09588 0.00022 -0.00022 0.00214 0.00192 1.09780 D3 -0.99194 0.00027 -0.00072 0.00256 0.00183 -0.99011 D4 -1.03560 -0.00034 -0.00190 -0.00098 -0.00288 -1.03847 D5 -3.11839 -0.00024 -0.00138 -0.00015 -0.00153 -3.11992 D6 1.07697 -0.00019 -0.00188 0.00027 -0.00161 1.07536 D7 1.01223 -0.00002 -0.00149 0.00059 -0.00090 1.01133 D8 -1.07056 0.00007 -0.00097 0.00143 0.00045 -1.07011 D9 3.12480 0.00013 -0.00148 0.00185 0.00037 3.12516 D10 -1.07179 0.00006 -0.00005 0.00015 0.00010 -1.07169 D11 3.08769 -0.00022 0.00122 -0.00078 0.00043 3.08813 D12 1.08765 0.00021 0.00053 0.00221 0.00273 1.09038 D13 1.43777 0.00024 0.01189 0.00185 0.01374 1.45151 D14 -1.65719 0.00011 0.01026 -0.00342 0.00684 -1.65035 D15 -2.71470 -0.00000 0.01075 0.00097 0.01171 -2.70298 D16 0.47353 -0.00014 0.00912 -0.00430 0.00482 0.47834 D17 -0.65522 -0.00020 0.01156 -0.00135 0.01020 -0.64502 D18 2.53300 -0.00034 0.00993 -0.00662 0.00331 2.53631 D19 3.13802 -0.00003 0.00002 -0.00125 -0.00122 3.13679 D20 -0.00082 0.00008 0.00004 0.00158 0.00161 0.00079 D21 -0.00540 -0.00006 0.00031 -0.00186 -0.00155 -0.00695 D22 3.13894 0.00005 0.00032 0.00096 0.00129 3.14023 D23 -0.00603 -0.00000 0.00023 0.00054 0.00077 -0.00526 D24 3.13773 -0.00005 0.00030 -0.00138 -0.00108 3.13665 D25 3.13372 -0.00004 0.00052 -0.00009 0.00043 3.13415 D26 -0.00571 -0.00008 0.00059 -0.00201 -0.00142 -0.00713 D27 3.13735 -0.00010 -0.00112 0.00247 0.00136 3.13871 D28 -0.00712 -0.00021 -0.00113 -0.00048 -0.00161 -0.00873 D29 3.11216 -0.00009 -0.00076 0.00122 0.00047 3.11263 D30 -0.01411 0.00006 0.00086 0.00115 0.00201 -0.01210 D31 -0.02667 0.00002 -0.00074 0.00405 0.00331 -0.02336 D32 3.13025 0.00016 0.00087 0.00398 0.00485 3.13509 D33 -3.07670 -0.00085 -0.01005 -0.00452 -0.01456 -3.09127 D34 0.04929 0.00034 0.00282 -0.00407 -0.00126 0.04803 D35 3.12794 -0.00039 -0.00433 0.00005 -0.00429 3.12366 D36 -0.06005 -0.00028 -0.00275 0.00522 0.00248 -0.05758 D37 -0.02836 0.00071 0.00782 0.00043 0.00825 -0.02011 D38 3.06683 0.00082 0.00940 0.00561 0.01502 3.08184 D39 3.12082 0.00028 0.00270 0.00382 0.00652 3.12733 D40 -0.03212 0.00015 0.00204 0.00139 0.00344 -0.02868 D41 0.02746 0.00014 0.00099 -0.00162 -0.00063 0.02682 D42 -3.12548 0.00001 0.00033 -0.00405 -0.00371 -3.12919 D43 0.01536 0.00003 0.00077 -0.00284 -0.00206 0.01329 D44 -3.14109 -0.00010 -0.00078 -0.00273 -0.00351 3.13859 D45 -3.11428 0.00017 0.00149 -0.00024 0.00125 -3.11303 D46 0.01247 0.00004 -0.00007 -0.00014 -0.00020 0.01227 D47 3.13084 -0.00004 0.00102 -0.00203 -0.00102 3.12983 D48 -0.01148 -0.00005 0.00109 -0.00223 -0.00114 -0.01262 D49 -0.00865 -0.00008 0.00108 -0.00390 -0.00282 -0.01146 D50 3.13221 -0.00009 0.00116 -0.00410 -0.00294 3.12928 D51 3.14159 -0.00000 0.00001 0.00003 0.00004 -3.14156 D52 -0.00013 0.00000 0.00001 0.00002 0.00004 -0.00010 D53 0.00068 0.00001 -0.00006 0.00021 0.00015 0.00083 D54 -3.14104 0.00001 -0.00006 0.00021 0.00015 -3.14089 D55 -3.14131 0.00000 -0.00002 -0.00002 -0.00004 -3.14135 D56 -0.00122 -0.00001 0.00014 -0.00041 -0.00027 -0.00149 D57 -0.00047 -0.00001 0.00006 -0.00023 -0.00016 -0.00063 D58 3.13962 -0.00002 0.00022 -0.00061 -0.00040 3.13922 D59 -0.00040 -0.00000 -0.00000 -0.00001 -0.00001 -0.00041 D60 3.14140 -0.00000 0.00002 -0.00011 -0.00009 3.14131 D61 3.14133 -0.00000 -0.00001 -0.00001 -0.00001 3.14131 D62 -0.00006 -0.00000 0.00001 -0.00010 -0.00008 -0.00015 D63 -0.00010 -0.00000 0.00007 -0.00018 -0.00011 -0.00021 D64 -3.14140 0.00000 -0.00000 -0.00001 -0.00001 -3.14141 D65 3.14129 -0.00000 0.00005 -0.00009 -0.00004 3.14125 D66 -0.00001 0.00000 -0.00002 0.00008 0.00006 0.00005 D67 0.00031 0.00000 -0.00007 0.00017 0.00010 0.00041 D68 -3.14088 0.00000 -0.00011 0.00027 0.00017 -3.14071 D69 -3.14158 -0.00000 0.00000 -0.00000 -0.00000 -3.14158 D70 0.00042 0.00000 -0.00004 0.00010 0.00006 0.00049 D71 -0.00002 0.00000 0.00000 0.00004 0.00004 0.00002 D72 -3.14018 0.00001 -0.00014 0.00041 0.00026 -3.13992 D73 3.14117 -0.00000 0.00004 -0.00007 -0.00003 3.14114 D74 0.00100 0.00001 -0.00010 0.00030 0.00020 0.00120 Item Value Threshold Converged? Maximum Force 0.002151 0.000450 NO RMS Force 0.000507 0.000300 NO Maximum Displacement 0.044549 0.001800 NO RMS Displacement 0.011557 0.001200 NO Predicted change in Energy=-7.510913D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.665778 -6.526461 1.284804 2 6 0 7.647963 -6.877519 2.390924 3 8 0 5.577557 -7.402170 1.254859 4 7 0 4.645308 -1.420815 1.930109 5 6 0 5.180281 -2.672573 1.770879 6 7 0 6.303991 -2.848479 1.180854 7 6 0 6.846363 -4.090353 1.020402 8 8 0 7.914805 -4.291368 0.520151 9 7 0 6.097164 -5.188698 1.476015 10 6 0 4.920990 -5.013007 2.107315 11 6 0 4.415556 -3.785025 2.292528 12 1 0 7.167447 -6.500911 0.330952 13 1 0 8.457850 -6.160716 2.412306 14 1 0 8.071031 -7.862783 2.214867 15 1 0 3.771981 -1.403090 2.396122 16 6 0 5.158338 -0.188685 1.532597 17 1 0 4.415480 -5.896727 2.434534 18 35 0 2.755014 -3.572322 3.180808 19 1 0 7.145145 -6.886640 3.352339 20 1 0 5.886277 -8.281645 1.085220 21 8 0 6.195147 -0.055949 0.972383 22 6 0 4.291348 0.998618 1.867629 23 6 0 4.792162 2.242946 1.492041 24 6 0 4.078541 3.397229 1.751152 25 6 0 2.850298 3.325015 2.390732 26 6 0 2.342129 2.094658 2.767953 27 6 0 3.057595 0.936762 2.508491 28 1 0 5.742690 2.285026 0.998084 29 1 0 4.477573 4.350339 1.455808 30 1 0 2.293722 4.222274 2.592914 31 1 0 1.390597 2.030169 3.263319 32 1 0 2.618881 0.006900 2.819913 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520339 0.000000 3 O 1.397135 2.419191 0.000000 4 N 5.528683 6.245311 6.091113 0.000000 5 C 4.158777 4.914823 4.774222 1.370565 0.000000 6 N 3.697194 4.416298 4.611863 2.313188 1.281327 7 C 2.457060 3.207676 3.554289 3.577519 2.312822 8 O 2.672153 3.202994 3.959749 4.573584 3.415032 9 N 1.466115 2.468634 2.284373 4.063377 2.694161 10 C 2.451806 3.315603 2.620279 3.607111 2.378666 11 C 3.687069 4.474557 3.938368 2.402836 1.447229 12 H 1.078035 2.148538 2.047834 5.892866 4.547350 13 H 2.148617 1.081749 3.343199 6.102020 4.829185 14 H 2.150700 1.086613 2.711308 7.301755 5.957504 15 H 5.988156 6.707655 6.368009 0.990041 1.996452 16 C 6.519293 7.188565 7.230993 1.392610 2.495388 17 H 2.604282 3.378284 2.237949 4.510106 3.379427 18 Br 5.255078 5.957281 5.132617 3.125131 2.946077 19 H 2.152725 1.085002 2.668805 6.176339 4.911219 20 H 1.930836 2.603838 0.947398 7.023164 5.694757 21 O 6.495124 7.117356 7.377546 2.276423 2.917922 22 C 7.912296 8.577543 8.520743 2.445986 3.778519 23 C 8.969720 9.599295 9.679946 3.692778 4.938695 24 C 10.266007 10.895895 10.914228 4.854564 6.169012 25 C 10.622266 11.274275 11.126574 5.094814 6.464062 26 C 9.757938 10.430436 10.146289 4.285460 5.636998 27 C 8.379504 9.063569 8.801113 2.900608 4.251725 28 H 8.864345 9.461623 9.692006 3.975698 5.048891 29 H 11.096047 11.704299 11.805584 5.793040 7.065009 30 H 11.677385 12.325343 12.153257 6.149286 7.519765 31 H 10.244900 10.920742 10.513494 4.927462 6.221323 32 H 7.837011 8.536447 8.130035 2.633728 3.852377 6 7 8 9 10 6 N 0.000000 7 C 1.364610 0.000000 8 O 2.261234 1.196757 0.000000 9 N 2.367809 1.405433 2.241137 0.000000 10 C 2.730604 2.395773 3.464502 1.346400 0.000000 11 C 2.383091 2.760498 3.955053 2.337691 1.340786 12 H 3.848135 2.527692 2.340174 2.044157 3.227366 13 H 4.138417 2.969965 2.714702 2.719246 3.730902 14 H 5.416166 4.142196 3.956195 3.404818 4.249182 15 H 3.158655 4.308806 5.387430 4.536948 3.799359 16 C 2.917319 4.281914 5.045311 5.087703 4.864229 17 H 3.798684 3.342446 4.299688 2.061098 1.069380 18 Br 4.137512 4.655625 5.849749 4.085212 2.814145 19 H 4.661505 3.653275 3.917793 2.738953 3.163455 20 H 5.450039 4.300337 4.511822 3.124663 3.558153 21 O 2.802416 4.086907 4.593530 5.158329 5.242516 22 C 4.395743 5.757041 6.552030 6.457338 6.049259 23 C 5.320251 6.674792 7.307032 7.545370 7.283132 24 C 6.654828 8.016153 8.680254 8.824323 8.459825 25 C 7.176617 8.534285 9.335823 9.157628 8.595970 26 C 6.530685 7.848338 8.768618 8.295581 7.589853 27 C 5.160403 6.468466 7.408058 6.915652 6.247634 28 H 5.167334 6.470243 6.942296 7.497374 7.427440 29 H 7.431984 8.777586 9.347145 9.675573 9.396453 30 H 8.250559 9.607241 10.410332 10.211759 9.613987 31 H 7.230443 8.500402 9.489578 8.801038 7.962810 32 H 4.941633 6.156080 7.197973 6.395213 5.568390 11 12 13 14 15 11 C 0.000000 12 H 4.335519 0.000000 13 H 4.690245 2.472429 0.000000 14 H 5.476919 2.494053 1.756601 0.000000 15 H 2.469521 6.463891 6.677771 7.761593 0.000000 16 C 3.750051 6.732360 6.879376 8.236569 2.035300 17 H 2.116472 3.516165 4.051042 4.156523 4.539641 18 Br 1.895174 6.013973 6.309732 6.899358 2.521016 19 H 4.265427 3.045991 1.770261 1.761807 6.508602 20 H 4.882644 2.319770 3.587825 2.494935 7.314590 21 O 4.337711 6.549377 6.667937 8.124616 3.116658 22 C 4.804083 8.177790 8.301354 9.640074 2.513414 23 C 6.092540 9.134830 9.214428 10.648907 3.892520 24 C 7.210509 10.465728 10.534219 11.955872 4.853146 25 C 7.280958 10.928371 11.019264 12.347219 4.817106 26 C 6.252663 10.154136 10.280064 11.501168 3.796970 27 C 4.917923 8.772203 8.918867 10.131770 2.449058 28 H 6.346841 8.925676 8.983467 10.482355 4.409128 29 H 8.178514 11.236118 11.280060 12.753410 5.872308 30 H 8.289104 11.994013 12.076239 13.400329 5.819682 31 H 6.626409 10.712147 10.851769 11.983237 4.267352 32 H 4.229051 8.320816 8.502893 9.592911 1.870110 16 17 18 19 20 16 C 0.000000 17 H 5.826412 0.000000 18 Br 4.465599 2.952445 0.000000 19 H 7.219520 3.045220 5.503397 0.000000 20 H 8.137939 3.109940 6.031088 2.944591 0.000000 21 O 1.185930 6.278518 5.392267 7.295549 8.232267 22 C 1.507848 6.919724 4.997826 8.516209 9.448770 23 C 2.459381 8.202710 6.388994 9.609712 10.589127 24 C 3.751333 9.325135 7.236731 10.850153 11.836700 25 C 4.290633 9.353729 6.943095 11.119725 12.067978 26 C 3.830247 8.262699 5.696981 10.201676 11.093252 27 C 2.575291 6.967488 4.568961 8.867117 9.747111 28 H 2.597386 8.412251 6.928133 9.572297 10.568006 29 H 4.590433 10.293888 8.289234 11.703951 12.715692 30 H 5.365338 10.340267 7.830334 12.145822 13.096854 31 H 4.702615 8.524816 5.766832 10.612833 11.458131 32 H 2.853818 6.182968 3.599946 8.263863 9.076620 21 22 23 24 25 21 O 0.000000 22 C 2.353301 0.000000 23 C 2.742868 1.392922 0.000000 24 C 4.124431 2.410847 1.381580 0.000000 25 C 4.962926 2.786105 2.397781 1.386671 0.000000 26 C 4.763919 2.410672 2.766334 2.397019 1.383586 27 C 3.631712 1.391646 2.397501 2.769439 2.400123 28 H 2.384437 2.125405 1.072039 2.138574 3.374459 29 H 4.753854 3.382057 2.131053 1.074651 2.138550 30 H 6.012522 3.861153 3.372219 2.138887 1.075048 31 H 5.716990 3.380296 3.841008 3.373506 2.137466 32 H 4.025791 2.165062 3.389143 3.842809 3.353750 26 27 28 29 30 26 C 0.000000 27 C 1.385617 0.000000 28 H 3.838293 3.362868 0.000000 29 H 3.371935 3.844085 2.464863 0.000000 30 H 2.135353 3.374199 4.265183 2.465485 0.000000 31 H 1.074690 2.131710 4.912937 4.263767 2.463818 32 H 2.106662 1.074289 4.274003 4.917416 4.233985 31 32 31 H 0.000000 32 H 2.408092 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.519084 -0.735260 -0.199667 2 6 0 -5.099016 -0.967144 1.186457 3 8 0 -5.021491 0.427865 -0.788492 4 7 0 0.984502 -0.239292 -0.023891 5 6 0 -0.376951 -0.394809 -0.050482 6 7 0 -0.915592 -1.556356 -0.100198 7 6 0 -2.269961 -1.721573 -0.123683 8 8 0 -2.811277 -2.788901 -0.119921 9 7 0 -3.064020 -0.562279 -0.151088 10 6 0 -2.507583 0.662114 -0.087596 11 6 0 -1.176495 0.811282 -0.027085 12 1 0 -4.693992 -1.593215 -0.828537 13 1 0 -4.663261 -1.852294 1.630088 14 1 0 -6.173685 -1.113921 1.121099 15 1 0 1.290315 0.701723 0.010040 16 6 0 1.980658 -1.212378 -0.035646 17 1 0 -3.178059 1.495077 -0.102028 18 35 0 -0.424666 2.548938 0.056499 19 1 0 -4.907765 -0.109660 1.823147 20 1 0 -5.960352 0.349488 -0.888284 21 8 0 1.763521 -2.377826 -0.067459 22 6 0 3.390595 -0.678811 -0.004175 23 6 0 4.403139 -1.635353 -0.000556 24 6 0 5.731212 -1.255611 0.027384 25 6 0 6.068148 0.089282 0.051697 26 6 0 5.071214 1.048666 0.047636 27 6 0 3.739125 0.668270 0.019849 28 1 0 4.129306 -2.671651 -0.019789 29 1 0 6.501709 -2.004746 0.030100 30 1 0 7.101103 0.386379 0.073284 31 1 0 5.324109 2.093023 0.065546 32 1 0 3.003622 1.451290 0.016268 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5083066 0.1430190 0.1134923 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1893.0434892957 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= 339 RedAO= T EigKep= 4.20D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000475 0.000124 0.000244 Ang= 0.06 deg. 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) = -3457.12137786 A.U. after 12 cycles NFock= 12 Conv=0.29D-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 0.000430949 0.000201873 0.000085314 2 6 0.000094358 0.000104433 -0.000026084 3 8 0.000096530 -0.000414810 0.000005872 4 7 0.000274663 0.000406311 -0.000094546 5 6 -0.000151887 0.000044724 -0.000215540 6 7 -0.000119323 -0.000108585 0.000280525 7 6 0.000266558 -0.000396651 -0.000065287 8 8 -0.000133837 -0.000053495 0.000010607 9 7 0.000128308 0.000247494 0.000258566 10 6 -0.000618154 0.000193506 -0.000031771 11 6 0.000042058 0.000260516 0.000027235 12 1 -0.000158117 -0.000080087 -0.000090234 13 1 -0.000095302 -0.000104300 -0.000030435 14 1 -0.000084895 0.000087641 -0.000056761 15 1 -0.000065169 -0.000082510 0.000174147 16 6 -0.000033476 -0.000314268 -0.000175323 17 1 0.000158507 -0.000006591 -0.000036505 18 35 0.000169147 -0.000110154 -0.000093182 19 1 -0.000018588 -0.000010875 -0.000082957 20 1 -0.000078782 -0.000027727 0.000008649 21 8 -0.000033127 0.000161302 0.000082672 22 6 0.000092193 0.000332458 -0.000027197 23 6 -0.000143910 -0.000655463 0.000194637 24 6 -0.000600398 0.000125662 0.000297380 25 6 0.000570304 0.000212163 -0.000320143 26 6 0.000250972 -0.000761590 -0.000069508 27 6 -0.000270328 0.000580351 0.000068311 28 1 0.000104147 0.000082707 -0.000070724 29 1 0.000137911 0.000084333 -0.000078917 30 1 -0.000118940 0.000082278 0.000054938 31 1 -0.000101893 0.000095926 0.000046552 32 1 0.000009518 -0.000176570 -0.000030290 ------------------------------------------------------------------- Cartesian Forces: Max 0.000761590 RMS 0.000225139 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000527711 RMS 0.000144614 Search for a local minimum. Step number 8 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 3 4 5 6 7 8 DE= -8.12D-05 DEPred=-7.51D-05 R= 1.08D+00 TightC=F SS= 1.41D+00 RLast= 4.04D-02 DXNew= 7.0190D-01 1.2127D-01 Trust test= 1.08D+00 RLast= 4.04D-02 DXMaxT set to 4.17D-01 ITU= 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00282 0.00723 0.01075 0.01332 0.01519 Eigenvalues --- 0.01525 0.01592 0.01592 0.01696 0.01799 Eigenvalues --- 0.01827 0.01859 0.01919 0.02038 0.02063 Eigenvalues --- 0.02110 0.02115 0.02127 0.02131 0.02466 Eigenvalues --- 0.02524 0.02576 0.02617 0.02620 0.05034 Eigenvalues --- 0.05560 0.05646 0.06193 0.08401 0.08717 Eigenvalues --- 0.14337 0.15638 0.15799 0.15964 0.16000 Eigenvalues --- 0.16000 0.16000 0.16001 0.16003 0.16126 Eigenvalues --- 0.16182 0.17381 0.19348 0.21335 0.21998 Eigenvalues --- 0.22002 0.23274 0.23459 0.23771 0.24248 Eigenvalues --- 0.24420 0.24856 0.24994 0.24998 0.25257 Eigenvalues --- 0.27540 0.28531 0.29304 0.30686 0.33732 Eigenvalues --- 0.33743 0.33865 0.34230 0.34310 0.35170 Eigenvalues --- 0.35438 0.35564 0.38316 0.38374 0.38413 Eigenvalues --- 0.38440 0.38609 0.38713 0.40339 0.40758 Eigenvalues --- 0.42950 0.43959 0.45617 0.47185 0.49652 Eigenvalues --- 0.50454 0.52200 0.54414 0.55910 0.56162 Eigenvalues --- 0.58410 0.65703 0.72920 0.88138 0.91839 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 8 7 6 5 RFO step: Lambda=-2.92246553D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.81671 -0.40895 -0.16215 -0.24561 Iteration 1 RMS(Cart)= 0.01705004 RMS(Int)= 0.00009642 Iteration 2 RMS(Cart)= 0.00015111 RMS(Int)= 0.00001286 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00001286 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87303 -0.00023 0.00090 -0.00203 -0.00113 2.87190 R2 2.64020 0.00026 -0.00027 0.00123 0.00095 2.64116 R3 2.77056 0.00032 -0.00085 0.00173 0.00088 2.77144 R4 2.03719 0.00000 -0.00113 0.00090 -0.00023 2.03696 R5 2.04421 -0.00014 -0.00161 0.00056 -0.00105 2.04316 R6 2.05340 -0.00010 -0.00109 0.00033 -0.00076 2.05264 R7 2.05036 -0.00006 -0.00076 0.00034 -0.00043 2.04993 R8 1.79032 -0.00000 -0.00226 0.00178 -0.00048 1.78984 R9 2.58999 0.00014 -0.00150 0.00127 -0.00022 2.58977 R10 1.87091 0.00014 -0.00015 0.00046 0.00031 1.87121 R11 2.63165 -0.00018 -0.00109 -0.00011 -0.00120 2.63045 R12 2.42136 -0.00001 0.00003 -0.00013 -0.00010 2.42126 R13 2.73487 -0.00007 -0.00057 0.00027 -0.00030 2.73457 R14 2.57874 0.00023 -0.00094 0.00163 0.00070 2.57944 R15 2.26154 -0.00011 -0.00123 0.00081 -0.00042 2.26112 R16 2.65588 -0.00025 -0.00064 -0.00024 -0.00087 2.65501 R17 2.54433 0.00023 -0.00041 0.00125 0.00084 2.54516 R18 2.53372 0.00001 -0.00013 0.00007 -0.00006 2.53366 R19 2.02084 -0.00008 0.00007 -0.00038 -0.00031 2.02053 R20 3.58136 -0.00020 0.00245 -0.00482 -0.00238 3.57898 R21 2.24108 -0.00005 -0.00076 0.00055 -0.00021 2.24088 R22 2.84942 0.00006 0.00031 0.00017 0.00048 2.84990 R23 2.63224 -0.00041 0.00006 -0.00140 -0.00134 2.63090 R24 2.62983 0.00001 0.00015 0.00020 0.00036 2.63019 R25 2.61081 0.00023 -0.00127 0.00220 0.00094 2.61175 R26 2.02586 0.00013 0.00054 0.00011 0.00065 2.02651 R27 2.62043 -0.00042 0.00039 -0.00168 -0.00129 2.61914 R28 2.03080 0.00015 0.00075 0.00003 0.00078 2.03158 R29 2.61460 0.00031 -0.00097 0.00235 0.00137 2.61597 R30 2.03155 0.00014 0.00077 -0.00002 0.00075 2.03230 R31 2.61844 -0.00044 0.00029 -0.00165 -0.00136 2.61707 R32 2.03087 0.00011 0.00071 -0.00012 0.00059 2.03146 R33 2.03011 0.00014 0.00041 0.00019 0.00060 2.03071 A1 1.95417 -0.00017 0.00047 -0.00182 -0.00135 1.95282 A2 1.94589 -0.00008 0.00292 -0.00216 0.00076 1.94665 A3 1.92685 0.00009 0.00094 -0.00072 0.00023 1.92708 A4 1.84692 0.00030 -0.00172 0.00462 0.00290 1.84982 A5 1.93730 -0.00007 -0.00136 -0.00071 -0.00208 1.93523 A6 1.84861 -0.00006 -0.00141 0.00110 -0.00032 1.84829 A7 1.92308 0.00002 0.00078 -0.00032 0.00046 1.92354 A8 1.92093 -0.00012 -0.00054 -0.00122 -0.00176 1.91917 A9 1.92541 -0.00005 -0.00070 0.00028 -0.00042 1.92499 A10 1.88866 0.00004 0.00005 0.00029 0.00034 1.88900 A11 1.91242 0.00004 0.00062 0.00045 0.00107 1.91349 A12 1.89271 0.00007 -0.00020 0.00053 0.00033 1.89304 A13 1.90909 0.00015 -0.00036 0.00183 0.00146 1.91056 A14 1.99912 -0.00035 -0.00303 0.00040 -0.00263 1.99649 A15 2.25378 0.00053 0.00145 0.00090 0.00235 2.25613 A16 2.03028 -0.00017 0.00157 -0.00130 0.00027 2.03055 A17 2.11905 0.00040 -0.00038 0.00171 0.00133 2.12038 A18 2.04195 -0.00022 0.00022 -0.00059 -0.00037 2.04158 A19 2.12217 -0.00018 0.00015 -0.00109 -0.00095 2.12122 A20 2.12662 0.00014 -0.00008 0.00104 0.00097 2.12760 A21 2.16138 0.00009 0.00003 0.00030 0.00024 2.16162 A22 2.05016 -0.00003 0.00002 -0.00023 -0.00028 2.04988 A23 2.07163 -0.00007 0.00022 -0.00008 0.00005 2.07168 A24 2.05337 -0.00046 -0.00125 -0.00166 -0.00292 2.05045 A25 2.11650 0.00051 0.00095 0.00210 0.00303 2.11953 A26 2.11262 -0.00005 0.00036 -0.00036 0.00001 2.11264 A27 2.11016 -0.00001 -0.00027 0.00016 -0.00011 2.11005 A28 2.03598 -0.00013 -0.00032 -0.00111 -0.00143 2.03455 A29 2.13695 0.00014 0.00057 0.00099 0.00156 2.13851 A30 2.04319 0.00012 -0.00008 0.00071 0.00061 2.04381 A31 2.14797 0.00010 0.00129 -0.00003 0.00127 2.14924 A32 2.09190 -0.00022 -0.00121 -0.00066 -0.00187 2.09003 A33 2.16029 0.00033 -0.00099 0.00157 0.00058 2.16087 A34 2.00582 -0.00029 0.00024 -0.00117 -0.00094 2.00488 A35 2.11708 -0.00004 0.00075 -0.00040 0.00034 2.11741 A36 2.02280 0.00002 0.00033 -0.00023 0.00010 2.02290 A37 2.18593 -0.00003 0.00028 -0.00011 0.00017 2.18610 A38 2.07445 0.00001 -0.00061 0.00034 -0.00027 2.07418 A39 2.10606 0.00004 -0.00011 0.00048 0.00037 2.10644 A40 2.06928 0.00006 0.00003 0.00065 0.00068 2.06997 A41 2.10784 -0.00010 0.00007 -0.00113 -0.00106 2.10678 A42 2.09498 -0.00005 0.00059 -0.00075 -0.00016 2.09482 A43 2.09169 -0.00008 -0.00041 -0.00062 -0.00103 2.09066 A44 2.09652 0.00013 -0.00018 0.00136 0.00119 2.09771 A45 2.09137 -0.00004 0.00005 -0.00026 -0.00021 2.09116 A46 2.09653 0.00008 -0.00012 0.00089 0.00077 2.09730 A47 2.09528 -0.00005 0.00008 -0.00063 -0.00055 2.09472 A48 2.09718 0.00002 -0.00071 0.00070 -0.00001 2.09717 A49 2.09928 -0.00011 -0.00013 -0.00109 -0.00122 2.09806 A50 2.08673 0.00010 0.00084 0.00039 0.00123 2.08796 A51 2.10233 0.00002 0.00079 -0.00052 0.00027 2.10260 A52 2.13413 -0.00012 -0.00062 -0.00060 -0.00121 2.13292 A53 2.04672 0.00010 -0.00017 0.00111 0.00094 2.04766 D1 -3.10394 -0.00014 0.00209 -0.00438 -0.00229 -3.10623 D2 1.09780 -0.00013 0.00189 -0.00378 -0.00189 1.09591 D3 -0.99011 -0.00010 0.00292 -0.00385 -0.00093 -0.99103 D4 -1.03847 0.00007 0.00217 -0.00119 0.00099 -1.03749 D5 -3.11992 0.00009 0.00197 -0.00059 0.00138 -3.11853 D6 1.07536 0.00011 0.00300 -0.00065 0.00235 1.07771 D7 1.01133 0.00001 0.00283 -0.00162 0.00121 1.01254 D8 -1.07011 0.00003 0.00263 -0.00102 0.00161 -1.06850 D9 3.12516 0.00005 0.00366 -0.00108 0.00258 3.12774 D10 -1.07169 0.00002 0.00049 0.00131 0.00180 -1.06989 D11 3.08813 0.00003 -0.00223 0.00201 -0.00022 3.08791 D12 1.09038 -0.00004 0.00105 -0.00148 -0.00043 1.08995 D13 1.45151 -0.00006 -0.01380 -0.00156 -0.01536 1.43616 D14 -1.65035 -0.00009 -0.01518 -0.00407 -0.01924 -1.66959 D15 -2.70298 -0.00013 -0.01264 -0.00206 -0.01471 -2.71769 D16 0.47834 -0.00016 -0.01402 -0.00457 -0.01860 0.45975 D17 -0.64502 -0.00009 -0.01569 -0.00017 -0.01585 -0.66087 D18 2.53631 -0.00013 -0.01707 -0.00268 -0.01974 2.51656 D19 3.13679 0.00005 -0.00046 0.00423 0.00377 3.14056 D20 0.00079 -0.00001 0.00132 -0.00213 -0.00082 -0.00003 D21 -0.00695 0.00001 -0.00141 0.00168 0.00027 -0.00669 D22 3.14023 -0.00005 0.00036 -0.00468 -0.00432 3.13591 D23 -0.00526 -0.00007 -0.00012 -0.00519 -0.00531 -0.01056 D24 3.13665 0.00001 -0.00116 0.00240 0.00124 3.13789 D25 3.13415 -0.00012 -0.00109 -0.00778 -0.00887 3.12529 D26 -0.00713 -0.00004 -0.00214 -0.00019 -0.00232 -0.00945 D27 3.13871 -0.00002 0.00079 -0.00308 -0.00229 3.13642 D28 -0.00873 0.00004 -0.00107 0.00357 0.00250 -0.00623 D29 3.11263 0.00006 -0.00003 0.00530 0.00527 3.11790 D30 -0.01210 0.00005 -0.00003 0.00433 0.00429 -0.00781 D31 -0.02336 -0.00000 0.00175 -0.00108 0.00068 -0.02269 D32 3.13509 -0.00002 0.00175 -0.00205 -0.00030 3.13479 D33 -3.09127 -0.00005 -0.00291 -0.00243 -0.00536 -3.09663 D34 0.04803 -0.00006 -0.00000 -0.00557 -0.00557 0.04246 D35 3.12366 0.00002 -0.00101 0.00280 0.00178 3.12544 D36 -0.05758 0.00007 0.00037 0.00536 0.00573 -0.05185 D37 -0.02011 0.00000 0.00177 -0.00017 0.00159 -0.01852 D38 3.08184 0.00005 0.00315 0.00239 0.00553 3.08738 D39 3.12733 -0.00001 0.00179 -0.00054 0.00123 3.12857 D40 -0.02868 0.00003 0.00045 0.00225 0.00269 -0.02599 D41 0.02682 -0.00003 0.00039 -0.00311 -0.00273 0.02409 D42 -3.12919 0.00000 -0.00095 -0.00032 -0.00127 -3.13046 D43 0.01329 0.00000 -0.00137 0.00089 -0.00048 0.01281 D44 3.13859 0.00002 -0.00134 0.00183 0.00050 3.13909 D45 -3.11303 -0.00003 0.00005 -0.00204 -0.00200 -3.11503 D46 0.01227 -0.00001 0.00008 -0.00110 -0.00103 0.01124 D47 3.12983 -0.00011 -0.00306 -0.01086 -0.01392 3.11591 D48 -0.01262 -0.00011 -0.00331 -0.01137 -0.01467 -0.02729 D49 -0.01146 -0.00003 -0.00408 -0.00348 -0.00756 -0.01902 D50 3.12928 -0.00003 -0.00433 -0.00398 -0.00831 3.12097 D51 -3.14156 -0.00000 -0.00001 -0.00021 -0.00022 3.14140 D52 -0.00010 -0.00000 -0.00001 -0.00010 -0.00011 -0.00020 D53 0.00083 0.00000 0.00022 0.00026 0.00048 0.00131 D54 -3.14089 0.00001 0.00022 0.00037 0.00060 -3.14030 D55 -3.14135 0.00001 0.00003 0.00055 0.00058 -3.14077 D56 -0.00149 -0.00001 -0.00046 -0.00069 -0.00115 -0.00264 D57 -0.00063 -0.00000 -0.00022 0.00003 -0.00020 -0.00083 D58 3.13922 -0.00002 -0.00071 -0.00121 -0.00192 3.13730 D59 -0.00041 -0.00000 -0.00001 -0.00032 -0.00032 -0.00074 D60 3.14131 -0.00000 -0.00009 -0.00013 -0.00022 3.14109 D61 3.14131 -0.00001 -0.00001 -0.00043 -0.00044 3.14088 D62 -0.00015 -0.00000 -0.00009 -0.00024 -0.00034 -0.00049 D63 -0.00021 -0.00000 -0.00021 0.00008 -0.00013 -0.00034 D64 -3.14141 0.00000 -0.00001 0.00012 0.00011 -3.14130 D65 3.14125 -0.00000 -0.00012 -0.00011 -0.00023 3.14102 D66 0.00005 -0.00000 0.00008 -0.00007 0.00001 0.00006 D67 0.00041 0.00000 0.00021 0.00020 0.00041 0.00082 D68 -3.14071 0.00000 0.00033 0.00029 0.00063 -3.14008 D69 -3.14158 0.00000 0.00001 0.00017 0.00018 -3.14140 D70 0.00049 0.00000 0.00013 0.00026 0.00039 0.00088 D71 0.00002 -0.00000 0.00001 -0.00026 -0.00025 -0.00023 D72 -3.13992 0.00002 0.00047 0.00092 0.00140 -3.13852 D73 3.14114 -0.00000 -0.00011 -0.00035 -0.00046 3.14068 D74 0.00120 0.00002 0.00035 0.00083 0.00119 0.00239 Item Value Threshold Converged? Maximum Force 0.000528 0.000450 NO RMS Force 0.000145 0.000300 YES Maximum Displacement 0.067247 0.001800 NO RMS Displacement 0.017043 0.001200 NO Predicted change in Energy=-1.357333D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.660398 -6.530030 1.291230 2 6 0 7.662712 -6.867779 2.382520 3 8 0 5.576997 -7.412993 1.287421 4 7 0 4.644104 -1.419810 1.921917 5 6 0 5.175576 -2.672930 1.762702 6 7 0 6.299025 -2.853529 1.173714 7 6 0 6.838995 -4.097178 1.015782 8 8 0 7.904672 -4.302024 0.511732 9 7 0 6.090284 -5.191949 1.479308 10 6 0 4.913782 -5.011830 2.109693 11 6 0 4.409796 -3.782376 2.288747 12 1 0 7.144709 -6.512001 0.328413 13 1 0 8.469896 -6.148450 2.383956 14 1 0 8.085479 -7.852610 2.205797 15 1 0 3.772013 -1.402030 2.390580 16 6 0 5.157939 -0.188109 1.526339 17 1 0 4.409101 -5.894039 2.441703 18 35 0 2.750562 -3.566906 3.176120 19 1 0 7.176228 -6.871697 3.352085 20 1 0 5.887025 -8.292313 1.120805 21 8 0 6.197227 -0.054278 0.971234 22 6 0 4.291434 0.998894 1.864820 23 6 0 4.799784 2.244678 1.507248 24 6 0 4.087349 3.399313 1.770666 25 6 0 2.852793 3.324966 2.396210 26 6 0 2.336340 2.091839 2.755372 27 6 0 3.050519 0.934917 2.491907 28 1 0 5.755671 2.289376 1.023210 29 1 0 4.493903 4.353748 1.488657 30 1 0 2.296353 4.221956 2.602041 31 1 0 1.378785 2.026686 3.239595 32 1 0 2.605548 0.002489 2.787474 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519744 0.000000 3 O 1.397640 2.417996 0.000000 4 N 5.529698 6.245360 6.098452 0.000000 5 C 4.159832 4.915972 4.780714 1.370446 0.000000 6 N 3.696086 4.408521 4.617679 2.313898 1.281273 7 C 2.454900 3.197297 3.558238 3.578677 2.313728 8 O 2.668303 3.184571 3.962056 4.574613 3.415675 9 N 1.466582 2.469155 2.287645 4.064034 2.694895 10 C 2.454685 3.328002 2.623275 3.607020 2.378948 11 C 3.689153 4.484414 3.942891 2.402329 1.447070 12 H 1.077914 2.148083 2.046754 5.892596 4.546772 13 H 2.148007 1.081195 3.342203 6.100017 4.828845 14 H 2.148605 1.086211 2.707241 7.300998 5.957596 15 H 5.987296 6.709099 6.372331 0.990204 1.994845 16 C 6.521703 7.185049 7.240969 1.391975 2.496100 17 H 2.606993 3.396713 2.236867 4.510447 3.379951 18 Br 5.255448 5.971162 5.133060 3.125467 2.945782 19 H 2.151730 1.084775 2.667092 6.179005 4.915119 20 H 1.932044 2.602746 0.947144 7.029789 5.700496 21 O 6.500176 7.110779 7.391573 2.276108 2.920194 22 C 7.913640 8.574268 8.529122 2.444947 3.778151 23 C 8.972405 9.591628 9.691388 3.691159 4.938557 24 C 10.268510 10.889020 10.925133 4.853535 6.168990 25 C 10.622607 11.270651 11.133484 5.093785 6.463081 26 C 9.755912 10.429958 10.148821 4.283935 5.634685 27 C 8.378441 9.064566 8.804628 2.899852 4.250196 28 H 8.869740 9.451879 9.707611 3.975087 5.050529 29 H 11.099067 11.694572 11.818197 5.791739 7.064983 30 H 11.677684 12.321859 12.159888 6.148498 7.518900 31 H 10.242507 10.924002 10.513967 4.927161 6.219584 32 H 7.832902 8.540461 8.128287 2.632078 3.848775 6 7 8 9 10 6 N 0.000000 7 C 1.364981 0.000000 8 O 2.261517 1.196534 0.000000 9 N 2.367523 1.404972 2.240573 0.000000 10 C 2.730058 2.395762 3.464495 1.346843 0.000000 11 C 2.382276 2.760534 3.954993 2.337975 1.340753 12 H 3.848913 2.529290 2.344173 2.044238 3.224982 13 H 4.127211 2.956257 2.689608 2.719528 3.743404 14 H 5.408088 4.131964 3.938173 3.404072 4.258982 15 H 3.158070 4.308163 5.386920 4.535227 3.796470 16 C 2.920768 4.285725 5.049580 5.090176 4.864997 17 H 3.797935 3.341608 4.298641 2.060465 1.069218 18 Br 4.136438 4.654410 5.848436 4.083342 2.811510 19 H 4.654080 3.642800 3.898904 2.740095 3.181400 20 H 5.454623 4.303073 4.512679 3.127634 3.561835 21 O 2.808410 4.093763 4.601071 5.163839 5.246012 22 C 4.398774 5.760285 6.556376 6.458407 6.047817 23 C 5.324536 6.679750 7.313733 7.547820 7.282365 24 C 6.659272 8.021146 8.687201 8.826461 8.458443 25 C 7.179472 8.537190 9.340434 9.157505 8.592551 26 C 6.531553 7.848822 8.770503 8.293009 7.584341 27 C 5.161661 6.469426 7.410090 6.914045 6.243527 28 H 5.173719 6.477787 6.951717 7.502681 7.429457 29 H 7.436565 8.783008 9.354684 9.678267 9.395533 30 H 8.253726 9.610401 10.415415 10.211564 9.610210 31 H 7.231399 8.500644 9.491101 8.798041 7.956983 32 H 4.939922 6.153717 7.196426 6.390373 5.561540 11 12 13 14 15 11 C 0.000000 12 H 4.332841 0.000000 13 H 4.700190 2.472558 0.000000 14 H 5.484918 2.491355 1.756040 0.000000 15 H 2.466411 6.460605 6.678222 7.762095 0.000000 16 C 3.749632 6.736014 6.872425 8.232662 2.035021 17 H 2.117195 3.511613 4.069167 4.172219 4.537250 18 Br 1.893915 6.007624 6.324766 6.911593 2.519349 19 H 4.281091 3.045154 1.770293 1.761506 6.513864 20 H 4.887313 2.319303 3.586491 2.490732 7.318579 21 O 4.339293 6.558440 6.655805 8.118105 3.116511 22 C 4.801486 8.180176 8.295395 9.636398 2.512103 23 C 6.090009 9.141540 9.202333 10.641381 3.890382 24 C 7.207568 10.471948 10.523432 11.949065 4.851456 25 C 7.276683 10.929879 11.013520 12.343236 4.815547 26 C 6.246868 10.150695 10.279145 11.499856 3.794911 27 C 4.913426 8.769246 8.919383 10.131797 2.447885 28 H 6.346585 8.937361 8.967472 10.473128 4.408070 29 H 8.175802 11.244441 11.265267 12.743974 5.870569 30 H 8.284571 11.995573 12.070854 13.396497 5.818205 31 H 6.620902 10.706542 10.855820 11.985365 4.266668 32 H 4.222469 8.312012 8.508082 9.595341 1.868379 16 17 18 19 20 16 C 0.000000 17 H 5.827202 0.000000 18 Br 4.464696 2.950536 0.000000 19 H 7.216452 3.072719 5.526221 0.000000 20 H 8.147033 3.111391 6.032511 2.942585 0.000000 21 O 1.185821 6.281917 5.392548 7.287256 8.245230 22 C 1.508104 6.918032 4.994029 8.513531 9.456532 23 C 2.459084 8.201497 6.384274 9.599958 10.599982 24 C 3.751727 9.323100 7.231217 10.841389 11.847163 25 C 4.290929 9.349557 6.936614 11.116552 12.074535 26 C 3.830158 8.256450 5.689464 10.204193 11.095485 27 C 2.575797 6.962966 4.563390 8.871561 9.750254 28 H 2.597760 8.413897 6.925441 9.558604 10.582955 29 H 4.590298 10.292357 8.283932 11.690930 12.727882 30 H 5.366049 10.335509 7.823186 12.142688 13.103202 31 H 4.703464 8.518058 5.759693 10.620933 11.458413 32 H 2.853329 6.175872 3.593418 8.274318 9.074669 21 22 23 24 25 21 O 0.000000 22 C 2.353659 0.000000 23 C 2.743238 1.392212 0.000000 24 C 4.125284 2.410918 1.382076 0.000000 25 C 4.963374 2.786158 2.397510 1.385988 0.000000 26 C 4.763970 2.410395 2.765815 2.396908 1.384313 27 C 3.632179 1.391834 2.396864 2.769198 2.400123 28 H 2.385453 2.125474 1.072385 2.138679 3.374059 29 H 4.753918 3.381942 2.131217 1.075063 2.138992 30 H 6.013528 3.861602 3.372739 2.139063 1.075445 31 H 5.717802 3.380812 3.840805 3.373156 2.137646 32 H 4.025184 2.164793 3.388372 3.842921 3.354560 26 27 28 29 30 26 C 0.000000 27 C 1.384895 0.000000 28 H 3.838128 3.362957 0.000000 29 H 3.372814 3.844253 2.463804 0.000000 30 H 2.136002 3.374244 4.265495 2.467026 0.000000 31 H 1.075002 2.132063 4.913095 4.264383 2.463254 32 H 2.106867 1.074607 4.273845 4.917953 4.234842 31 32 31 H 0.000000 32 H 2.409716 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.521108 -0.728119 -0.196595 2 6 0 -5.095190 -0.990744 1.185823 3 8 0 -5.030753 0.445977 -0.757985 4 7 0 0.984798 -0.243348 -0.030595 5 6 0 -0.376867 -0.395581 -0.059164 6 7 0 -0.919719 -1.555009 -0.111136 7 6 0 -2.274904 -1.716641 -0.133940 8 8 0 -2.819091 -2.782259 -0.137559 9 7 0 -3.065454 -0.555313 -0.151076 10 6 0 -2.504878 0.667562 -0.085360 11 6 0 -1.173145 0.812334 -0.029266 12 1 0 -4.698230 -1.571764 -0.843734 13 1 0 -4.657072 -1.884188 1.608661 14 1 0 -6.169372 -1.137656 1.119463 15 1 0 1.290315 0.697739 0.008380 16 6 0 1.980497 -1.215992 -0.042531 17 1 0 -3.174027 1.501472 -0.093102 18 35 0 -0.419310 2.547553 0.058269 19 1 0 -4.903657 -0.146402 1.839381 20 1 0 -5.969713 0.367921 -0.854649 21 8 0 1.764017 -2.381533 -0.071225 22 6 0 3.390111 -0.681135 -0.006606 23 6 0 4.402717 -1.636355 0.014373 24 6 0 5.730932 -1.255724 0.047555 25 6 0 6.066942 0.088864 0.059396 26 6 0 5.068922 1.047927 0.037491 27 6 0 3.737998 0.666473 0.004814 28 1 0 4.130329 -2.673520 0.004258 29 1 0 6.501120 -2.005594 0.063902 30 1 0 7.099744 0.387610 0.084936 31 1 0 5.322372 2.092596 0.045102 32 1 0 3.001113 1.448407 -0.014139 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5087023 0.1430003 0.1134677 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1893.1334938599 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= 339 RedAO= T EigKep= 4.20D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999999 -0.001006 -0.000075 0.000295 Ang= -0.12 deg. 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) = -3457.12139544 A.U. after 12 cycles NFock= 12 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 0.000168113 -0.000492282 -0.000189952 2 6 -0.000046029 0.000137242 0.000022905 3 8 -0.000364907 0.000747686 0.000240806 4 7 -0.000434962 -0.000228607 -0.000176848 5 6 0.000511887 -0.000246635 0.000290048 6 7 0.000053995 0.000115757 -0.000126777 7 6 -0.000444577 0.000161403 0.000096439 8 8 0.000267935 0.000042845 -0.000200519 9 7 -0.000300080 -0.000130389 0.000345563 10 6 0.000290585 -0.000149186 -0.000335466 11 6 0.000075213 -0.000143946 -0.000190245 12 1 0.000040897 -0.000003281 -0.000160159 13 1 0.000132887 0.000068096 0.000050740 14 1 0.000085656 -0.000175894 -0.000012149 15 1 0.000090933 0.000168145 0.000106828 16 6 0.000162711 0.000111920 0.000702780 17 1 -0.000045169 -0.000027695 0.000024858 18 35 -0.000374823 0.000123367 0.000159532 19 1 -0.000054909 0.000003628 0.000063799 20 1 0.000224015 -0.000140754 -0.000042779 21 8 0.000036407 0.000051306 -0.000381556 22 6 0.000102418 0.000142674 -0.000292415 23 6 0.000192647 -0.000105356 -0.000031190 24 6 -0.000039714 0.000211615 0.000019173 25 6 -0.000003444 0.000092924 -0.000014607 26 6 -0.000020015 0.000013288 0.000028983 27 6 -0.000284083 -0.000133878 0.000064136 28 1 -0.000116452 -0.000012063 0.000051697 29 1 -0.000075051 -0.000141621 0.000052062 30 1 0.000072827 -0.000146417 -0.000027341 31 1 0.000126154 -0.000025251 -0.000053845 32 1 -0.000031063 0.000111357 -0.000084502 ------------------------------------------------------------------- Cartesian Forces: Max 0.000747686 RMS 0.000208356 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000493533 RMS 0.000122870 Search for a local minimum. Step number 9 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 2 3 4 5 6 7 8 9 DE= -1.76D-05 DEPred=-1.36D-05 R= 1.29D+00 TightC=F SS= 1.41D+00 RLast= 5.34D-02 DXNew= 7.0190D-01 1.6014D-01 Trust test= 1.29D+00 RLast= 5.34D-02 DXMaxT set to 4.17D-01 ITU= 1 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00274 0.00307 0.01096 0.01331 0.01480 Eigenvalues --- 0.01520 0.01592 0.01593 0.01698 0.01808 Eigenvalues --- 0.01828 0.01893 0.02032 0.02062 0.02098 Eigenvalues --- 0.02111 0.02117 0.02132 0.02220 0.02443 Eigenvalues --- 0.02525 0.02576 0.02618 0.02618 0.05076 Eigenvalues --- 0.05577 0.05675 0.06648 0.08335 0.08667 Eigenvalues --- 0.14357 0.15680 0.15891 0.15996 0.16000 Eigenvalues --- 0.16000 0.16000 0.16003 0.16092 0.16174 Eigenvalues --- 0.16594 0.18680 0.19527 0.21223 0.22000 Eigenvalues --- 0.22043 0.23435 0.23712 0.23748 0.24267 Eigenvalues --- 0.24696 0.24965 0.24997 0.25095 0.26421 Eigenvalues --- 0.27532 0.28411 0.29582 0.31454 0.33729 Eigenvalues --- 0.33800 0.33902 0.34263 0.34739 0.35234 Eigenvalues --- 0.35386 0.35822 0.38371 0.38401 0.38438 Eigenvalues --- 0.38593 0.38706 0.39291 0.40527 0.42644 Eigenvalues --- 0.43029 0.44079 0.45790 0.48004 0.49534 Eigenvalues --- 0.50414 0.52600 0.54659 0.55959 0.56175 Eigenvalues --- 0.58531 0.65705 0.72975 0.88127 0.91713 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 9 8 7 6 5 RFO step: Lambda=-3.85508358D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.31380 0.80783 -0.67055 -0.25084 -0.20024 Iteration 1 RMS(Cart)= 0.01573905 RMS(Int)= 0.00008606 Iteration 2 RMS(Cart)= 0.00013239 RMS(Int)= 0.00001773 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00001773 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87190 0.00016 0.00011 -0.00014 -0.00003 2.87187 R2 2.64116 -0.00027 0.00017 -0.00005 0.00011 2.64127 R3 2.77144 -0.00006 -0.00074 0.00097 0.00023 2.77167 R4 2.03696 0.00016 -0.00184 0.00209 0.00025 2.03721 R5 2.04316 0.00014 -0.00248 0.00203 -0.00045 2.04271 R6 2.05264 0.00019 -0.00192 0.00184 -0.00007 2.05257 R7 2.04993 0.00008 -0.00115 0.00108 -0.00008 2.04985 R8 1.78984 0.00021 -0.00300 0.00292 -0.00008 1.78976 R9 2.58977 0.00018 -0.00185 0.00193 0.00008 2.58985 R10 1.87121 -0.00003 -0.00003 0.00012 0.00009 1.87131 R11 2.63045 0.00019 -0.00174 0.00108 -0.00066 2.62979 R12 2.42126 -0.00007 -0.00038 0.00053 0.00015 2.42141 R13 2.73457 0.00007 -0.00036 -0.00000 -0.00037 2.73419 R14 2.57944 -0.00011 -0.00014 0.00001 -0.00011 2.57933 R15 2.26112 0.00032 -0.00179 0.00189 0.00009 2.26122 R16 2.65501 0.00015 -0.00138 0.00129 -0.00008 2.65493 R17 2.54516 -0.00023 0.00033 -0.00036 -0.00003 2.54513 R18 2.53366 0.00007 -0.00051 0.00070 0.00018 2.53383 R19 2.02053 0.00005 0.00014 -0.00031 -0.00017 2.02036 R20 3.57898 0.00042 0.00269 -0.00219 0.00051 3.57949 R21 2.24088 0.00022 -0.00118 0.00135 0.00017 2.24104 R22 2.84990 -0.00002 0.00127 -0.00141 -0.00014 2.84976 R23 2.63090 -0.00005 -0.00170 0.00154 -0.00015 2.63075 R24 2.63019 0.00017 0.00136 -0.00127 0.00009 2.63028 R25 2.61175 0.00008 -0.00002 0.00014 0.00012 2.61187 R26 2.02651 -0.00013 0.00119 -0.00110 0.00009 2.02661 R27 2.61914 -0.00008 -0.00134 0.00124 -0.00009 2.61904 R28 2.03158 -0.00017 0.00151 -0.00140 0.00011 2.03169 R29 2.61597 -0.00004 0.00064 -0.00048 0.00016 2.61613 R30 2.03230 -0.00017 0.00152 -0.00143 0.00010 2.03239 R31 2.61707 -0.00010 -0.00146 0.00130 -0.00016 2.61692 R32 2.03146 -0.00014 0.00135 -0.00129 0.00006 2.03152 R33 2.03071 -0.00011 0.00094 -0.00086 0.00008 2.03079 A1 1.95282 0.00019 -0.00029 -0.00043 -0.00072 1.95210 A2 1.94665 0.00015 0.00368 -0.00315 0.00052 1.94717 A3 1.92708 -0.00007 0.00183 -0.00115 0.00068 1.92776 A4 1.84982 -0.00049 -0.00189 0.00129 -0.00061 1.84921 A5 1.93523 0.00010 -0.00185 0.00129 -0.00055 1.93467 A6 1.84829 0.00010 -0.00167 0.00237 0.00070 1.84899 A7 1.92354 0.00010 0.00080 -0.00007 0.00073 1.92427 A8 1.91917 0.00002 -0.00153 0.00053 -0.00100 1.91816 A9 1.92499 -0.00005 -0.00005 -0.00084 -0.00089 1.92410 A10 1.88900 -0.00004 0.00003 0.00026 0.00028 1.88928 A11 1.91349 -0.00002 0.00097 -0.00024 0.00073 1.91422 A12 1.89304 -0.00000 -0.00023 0.00040 0.00016 1.89320 A13 1.91056 -0.00029 0.00044 -0.00075 -0.00031 1.91024 A14 1.99649 0.00024 -0.00569 0.00509 -0.00060 1.99590 A15 2.25613 -0.00019 0.00399 -0.00366 0.00032 2.25645 A16 2.03055 -0.00005 0.00169 -0.00144 0.00026 2.03080 A17 2.12038 -0.00015 0.00080 -0.00060 0.00021 2.12058 A18 2.04158 -0.00000 -0.00048 0.00050 0.00003 2.04161 A19 2.12122 0.00015 -0.00033 0.00010 -0.00024 2.12098 A20 2.12760 -0.00012 0.00100 -0.00100 0.00002 2.12762 A21 2.16162 -0.00014 -0.00068 0.00081 -0.00000 2.16162 A22 2.04988 0.00004 -0.00086 0.00122 0.00027 2.05015 A23 2.07168 0.00010 0.00190 -0.00203 -0.00027 2.07141 A24 2.05045 0.00026 -0.00142 0.00001 -0.00144 2.04901 A25 2.11953 -0.00029 0.00085 0.00078 0.00160 2.12114 A26 2.11264 0.00003 0.00077 -0.00084 -0.00006 2.11257 A27 2.11005 0.00001 -0.00008 -0.00010 -0.00019 2.10986 A28 2.03455 0.00002 -0.00211 0.00199 -0.00012 2.03442 A29 2.13851 -0.00003 0.00217 -0.00186 0.00032 2.13883 A30 2.04381 -0.00011 -0.00014 0.00055 0.00039 2.04420 A31 2.14924 -0.00009 0.00258 -0.00236 0.00023 2.14947 A32 2.09003 0.00020 -0.00243 0.00180 -0.00062 2.08942 A33 2.16087 0.00000 -0.00070 0.00077 0.00007 2.16094 A34 2.00488 0.00012 -0.00020 0.00029 0.00009 2.00497 A35 2.11741 -0.00012 0.00089 -0.00104 -0.00014 2.11727 A36 2.02290 -0.00003 0.00009 0.00006 0.00015 2.02305 A37 2.18610 0.00001 0.00102 -0.00115 -0.00014 2.18596 A38 2.07418 0.00002 -0.00110 0.00109 -0.00001 2.07417 A39 2.10644 -0.00003 0.00041 -0.00044 -0.00003 2.10640 A40 2.06997 0.00001 0.00077 -0.00066 0.00011 2.07008 A41 2.10678 0.00002 -0.00118 0.00110 -0.00008 2.10670 A42 2.09482 -0.00001 0.00047 -0.00045 0.00003 2.09485 A43 2.09066 0.00002 -0.00173 0.00167 -0.00006 2.09060 A44 2.09771 -0.00001 0.00126 -0.00123 0.00003 2.09774 A45 2.09116 0.00004 -0.00017 0.00019 0.00001 2.09117 A46 2.09730 -0.00000 0.00101 -0.00107 -0.00006 2.09724 A47 2.09472 -0.00003 -0.00083 0.00088 0.00005 2.09477 A48 2.09717 0.00004 -0.00065 0.00056 -0.00009 2.09708 A49 2.09806 0.00001 -0.00160 0.00152 -0.00009 2.09797 A50 2.08796 -0.00006 0.00226 -0.00208 0.00018 2.08813 A51 2.10260 -0.00006 0.00105 -0.00095 0.00010 2.10270 A52 2.13292 0.00008 -0.00153 0.00120 -0.00033 2.13260 A53 2.04766 -0.00002 0.00048 -0.00026 0.00022 2.04788 D1 -3.10623 0.00021 0.00150 -0.00057 0.00092 -3.10531 D2 1.09591 0.00019 0.00192 -0.00118 0.00074 1.09665 D3 -0.99103 0.00021 0.00320 -0.00147 0.00173 -0.98930 D4 -1.03749 -0.00018 0.00136 -0.00134 0.00002 -1.03747 D5 -3.11853 -0.00021 0.00179 -0.00195 -0.00016 -3.11869 D6 1.07771 -0.00019 0.00307 -0.00224 0.00083 1.07854 D7 1.01254 -0.00000 0.00274 -0.00110 0.00165 1.01419 D8 -1.06850 -0.00003 0.00317 -0.00170 0.00147 -1.06703 D9 3.12774 -0.00001 0.00445 -0.00200 0.00246 3.13020 D10 -1.06989 -0.00005 0.00098 -0.00093 0.00006 -1.06984 D11 3.08791 -0.00002 -0.00212 0.00235 0.00023 3.08814 D12 1.08995 0.00008 0.00179 -0.00178 0.00001 1.08996 D13 1.43616 -0.00000 -0.01407 -0.00012 -0.01419 1.42197 D14 -1.66959 -0.00006 -0.01910 0.00159 -0.01751 -1.68711 D15 -2.71769 0.00001 -0.01350 -0.00166 -0.01516 -2.73285 D16 0.45975 -0.00005 -0.01854 0.00005 -0.01848 0.44127 D17 -0.66087 -0.00007 -0.01730 0.00156 -0.01574 -0.67662 D18 2.51656 -0.00013 -0.02234 0.00327 -0.01907 2.49750 D19 3.14056 -0.00007 0.00015 -0.00013 0.00002 3.14058 D20 -0.00003 0.00009 0.00153 0.00058 0.00210 0.00207 D21 -0.00669 -0.00011 -0.00196 -0.00095 -0.00291 -0.00959 D22 3.13591 0.00006 -0.00059 -0.00024 -0.00083 3.13509 D23 -0.01056 0.00005 -0.00145 0.00040 -0.00105 -0.01161 D24 3.13789 -0.00021 -0.00122 -0.00332 -0.00454 3.13335 D25 3.12529 0.00001 -0.00360 -0.00042 -0.00403 3.12126 D26 -0.00945 -0.00025 -0.00337 -0.00414 -0.00752 -0.01697 D27 3.13642 0.00012 0.00136 0.00015 0.00151 3.13793 D28 -0.00623 -0.00005 -0.00008 -0.00059 -0.00066 -0.00689 D29 3.11790 -0.00007 0.00243 -0.00179 0.00064 3.11854 D30 -0.00781 -0.00007 0.00191 -0.00187 0.00004 -0.00777 D31 -0.02269 0.00009 0.00381 -0.00109 0.00272 -0.01996 D32 3.13479 0.00009 0.00329 -0.00116 0.00213 3.13692 D33 -3.09663 -0.00002 -0.00518 0.00206 -0.00313 -3.09976 D34 0.04246 -0.00003 -0.00442 0.00152 -0.00290 0.03956 D35 3.12544 0.00003 0.00038 0.00087 0.00124 3.12668 D36 -0.05185 0.00008 0.00538 -0.00079 0.00458 -0.04727 D37 -0.01852 0.00002 0.00110 0.00036 0.00145 -0.01707 D38 3.08738 0.00007 0.00610 -0.00130 0.00479 3.09217 D39 3.12857 0.00002 0.00351 -0.00267 0.00083 3.12940 D40 -0.02599 0.00000 0.00174 -0.00035 0.00139 -0.02460 D41 0.02409 -0.00005 -0.00166 -0.00092 -0.00259 0.02150 D42 -3.13046 -0.00006 -0.00342 0.00140 -0.00202 -3.13249 D43 0.01281 -0.00004 -0.00279 0.00178 -0.00101 0.01181 D44 3.13909 -0.00005 -0.00224 0.00181 -0.00042 3.13866 D45 -3.11503 -0.00002 -0.00089 -0.00071 -0.00160 -3.11663 D46 0.01124 -0.00003 -0.00034 -0.00068 -0.00102 0.01022 D47 3.11591 -0.00001 -0.00768 -0.00344 -0.01111 3.10479 D48 -0.02729 -0.00002 -0.00820 -0.00366 -0.01186 -0.03915 D49 -0.01902 -0.00027 -0.00745 -0.00706 -0.01451 -0.03353 D50 3.12097 -0.00028 -0.00797 -0.00728 -0.01525 3.10571 D51 3.14140 0.00001 -0.00006 0.00032 0.00026 -3.14152 D52 -0.00020 0.00000 -0.00003 -0.00003 -0.00006 -0.00027 D53 0.00131 0.00002 0.00043 0.00053 0.00096 0.00227 D54 -3.14030 0.00001 0.00046 0.00017 0.00064 -3.13966 D55 -3.14077 -0.00001 0.00019 -0.00019 -0.00000 -3.14077 D56 -0.00264 -0.00004 -0.00091 -0.00080 -0.00171 -0.00435 D57 -0.00083 -0.00002 -0.00035 -0.00042 -0.00077 -0.00160 D58 3.13730 -0.00005 -0.00145 -0.00102 -0.00248 3.13482 D59 -0.00074 -0.00001 -0.00011 -0.00035 -0.00046 -0.00120 D60 3.14109 -0.00001 -0.00019 -0.00024 -0.00044 3.14065 D61 3.14088 0.00000 -0.00015 0.00002 -0.00013 3.14075 D62 -0.00049 0.00000 -0.00023 0.00012 -0.00011 -0.00059 D63 -0.00034 -0.00000 -0.00029 0.00005 -0.00024 -0.00058 D64 -3.14130 0.00000 0.00002 0.00010 0.00012 -3.14118 D65 3.14102 -0.00001 -0.00021 -0.00005 -0.00026 3.14076 D66 0.00006 0.00000 0.00011 -0.00000 0.00010 0.00016 D67 0.00082 0.00000 0.00037 0.00006 0.00043 0.00125 D68 -3.14008 0.00001 0.00059 0.00027 0.00086 -3.13922 D69 -3.14140 -0.00000 0.00006 0.00001 0.00006 -3.14134 D70 0.00088 0.00000 0.00027 0.00022 0.00050 0.00138 D71 -0.00023 0.00001 -0.00005 0.00013 0.00008 -0.00015 D72 -3.13852 0.00003 0.00100 0.00070 0.00171 -3.13681 D73 3.14068 0.00000 -0.00027 -0.00008 -0.00035 3.14033 D74 0.00239 0.00003 0.00079 0.00049 0.00128 0.00366 Item Value Threshold Converged? Maximum Force 0.000494 0.000450 NO RMS Force 0.000123 0.000300 YES Maximum Displacement 0.060151 0.001800 NO RMS Displacement 0.015745 0.001200 NO Predicted change in Energy=-1.359380D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.654913 -6.532107 1.292647 2 6 0 7.676715 -6.862093 2.368104 3 8 0 5.573037 -7.416781 1.314105 4 7 0 4.644797 -1.419532 1.926942 5 6 0 5.174389 -2.673401 1.766988 6 7 0 6.296064 -2.855917 1.175039 7 6 0 6.833095 -4.100493 1.014935 8 8 0 7.895763 -4.307396 0.505288 9 7 0 6.085235 -5.193986 1.482701 10 6 0 4.909748 -5.012108 2.114440 11 6 0 4.407615 -3.781768 2.293318 12 1 0 7.121407 -6.519983 0.320833 13 1 0 8.482644 -6.141895 2.352125 14 1 0 8.097379 -7.847287 2.188645 15 1 0 3.773991 -1.401053 2.398063 16 6 0 5.159967 -0.188491 1.532284 17 1 0 4.404828 -5.893497 2.447977 18 35 0 2.749121 -3.564639 3.182241 19 1 0 7.206218 -6.862103 3.345489 20 1 0 5.881728 -8.296547 1.147602 21 8 0 6.199905 -0.055349 0.978043 22 6 0 4.292198 0.998802 1.866143 23 6 0 4.807897 2.245218 1.521858 24 6 0 4.094934 3.400154 1.782850 25 6 0 2.852326 3.325340 2.392073 26 6 0 2.328099 2.091393 2.737204 27 6 0 3.042879 0.934343 2.476375 28 1 0 5.770002 2.290386 1.050233 29 1 0 4.507463 4.355198 1.511563 30 1 0 2.295480 4.222612 2.595837 31 1 0 1.363872 2.025933 3.208031 32 1 0 2.591291 0.001044 2.759024 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519730 0.000000 3 O 1.397701 2.417449 0.000000 4 N 5.530038 6.245688 6.099524 0.000000 5 C 4.160115 4.916108 4.781598 1.370489 0.000000 6 N 3.695535 4.402165 4.619913 2.314139 1.281355 7 C 2.453898 3.188917 3.560199 3.578821 2.313759 8 O 2.666267 3.169313 3.964533 4.574892 3.415802 9 N 1.466704 2.469682 2.287267 4.064322 2.695145 10 C 2.455879 3.338098 2.619722 3.607209 2.379140 11 C 3.689994 4.492329 3.940861 2.402217 1.446874 12 H 1.078047 2.148657 2.046531 5.893028 4.547355 13 H 2.148339 1.080954 3.341951 6.100046 4.828808 14 H 2.147841 1.086173 2.706004 7.301017 5.957412 15 H 5.987434 6.712311 6.371853 0.990252 1.994552 16 C 6.521790 7.181197 7.243370 1.391623 2.496011 17 H 2.608734 3.413181 2.229523 4.510590 3.380087 18 Br 5.256581 5.984748 5.128687 3.125836 2.946043 19 H 2.151045 1.084734 2.664858 6.180189 4.915813 20 H 1.931865 2.601781 0.947102 7.030697 5.701205 21 O 6.500338 7.102465 7.395714 2.275909 2.920328 22 C 7.913653 8.573249 8.530378 2.444660 3.777985 23 C 8.972482 9.585894 9.694474 3.690675 4.938342 24 C 10.268573 10.885100 10.927516 4.853090 6.168756 25 C 10.622508 11.272050 11.133618 5.093438 6.462786 26 C 9.755656 10.435941 10.146931 4.283715 5.634355 27 C 8.378298 9.070203 8.803059 2.899784 4.249987 28 H 8.870074 9.441410 9.712750 3.974694 5.050512 29 H 11.099229 11.687833 11.821757 5.791279 7.064789 30 H 11.677626 12.323970 12.159798 6.148211 7.518651 31 H 10.242258 10.934097 10.510418 4.927158 6.219356 32 H 7.832327 8.550849 8.124207 2.631974 3.848271 6 7 8 9 10 6 N 0.000000 7 C 1.364920 0.000000 8 O 2.261503 1.196584 0.000000 9 N 2.367630 1.404929 2.240400 0.000000 10 C 2.730112 2.395666 3.464430 1.346827 0.000000 11 C 2.382014 2.760218 3.954809 2.337920 1.340848 12 H 3.851784 2.533541 2.351424 2.044959 3.222134 13 H 4.118776 2.945574 2.668450 2.720662 3.754797 14 H 5.402399 4.124860 3.924942 3.403981 4.266701 15 H 3.158048 4.307916 5.386876 4.534984 3.796065 16 C 2.921216 4.286114 5.050216 5.090536 4.865059 17 H 3.797899 3.341399 4.298416 2.060301 1.069129 18 Br 4.136660 4.654374 5.848563 4.083242 2.811348 19 H 4.646371 3.632794 3.881848 2.740292 3.195581 20 H 5.456454 4.304598 4.514669 3.127234 3.559081 21 O 2.809134 4.094568 4.602101 5.164631 5.246462 22 C 4.399086 5.760515 6.556931 6.458532 6.047650 23 C 5.325082 6.680303 7.314716 7.548170 7.282191 24 C 6.659792 8.021654 8.688198 8.826700 8.458134 25 C 7.179724 8.537332 9.341032 9.157378 8.592038 26 C 6.531538 7.848609 8.770681 8.292563 7.583699 27 C 5.161663 6.469245 7.410229 6.913736 6.243115 28 H 5.174625 6.478793 6.953168 7.503481 7.429603 29 H 7.437239 8.783731 9.355945 9.678694 9.395304 30 H 8.254024 9.610582 10.416074 10.211446 9.609693 31 H 7.231323 8.500305 9.491126 8.797458 7.956331 32 H 4.939289 6.152834 7.195791 6.389443 5.560794 11 12 13 14 15 11 C 0.000000 12 H 4.330495 0.000000 13 H 4.709514 2.474280 0.000000 14 H 5.491244 2.490578 1.755995 0.000000 15 H 2.465817 6.459374 6.681999 7.764630 0.000000 16 C 3.749246 6.738149 6.866975 8.228995 2.034897 17 H 2.117386 3.506711 4.086499 4.185628 4.536794 18 Br 1.894183 6.003216 6.340712 6.923307 2.519206 19 H 4.292751 3.045124 1.770518 1.761546 6.519269 20 H 4.885581 2.318735 3.585828 2.488918 7.318063 21 O 4.339176 6.562970 6.644173 8.110503 3.116478 22 C 4.801005 8.180742 8.293707 9.635181 2.512127 23 C 6.089330 9.144590 9.194388 10.635974 3.889986 24 C 7.206827 10.474070 10.517927 11.945257 4.851091 25 C 7.275965 10.929111 11.015018 12.344212 4.815423 26 C 6.246235 10.147436 10.286581 11.504907 3.795103 27 C 4.913015 8.766284 8.926345 10.136459 2.448415 28 H 6.346055 8.943205 8.953028 10.463512 4.407655 29 H 8.175043 11.248115 11.256002 12.737605 5.870119 30 H 8.283884 11.994522 12.073251 13.398146 5.818137 31 H 6.620458 10.701299 10.868436 11.994155 4.267195 32 H 4.222035 8.306053 8.521110 9.604095 1.869478 16 17 18 19 20 16 C 0.000000 17 H 5.827162 0.000000 18 Br 4.464629 2.950269 0.000000 19 H 7.211931 3.097017 5.546678 0.000000 20 H 8.149202 3.105939 6.028594 2.939832 0.000000 21 O 1.185910 6.282275 5.392728 7.276632 8.249080 22 C 1.508028 6.917731 4.993816 8.513155 9.457612 23 C 2.459065 8.201148 6.383562 9.592751 10.602923 24 C 3.751727 9.322573 7.230342 10.836783 11.849430 25 C 4.290857 9.348815 6.935909 11.119774 12.074529 26 C 3.830037 8.255600 5.689114 10.214263 11.093441 27 C 2.575680 6.962407 4.563483 8.881066 9.748540 28 H 2.597951 8.413877 6.924774 9.544578 10.587970 29 H 4.590349 10.291898 8.282920 11.682227 12.731368 30 H 5.366028 10.334741 7.822464 12.146944 13.102973 31 H 4.703418 8.517186 5.759694 10.637156 11.454693 32 H 2.852878 6.175053 3.594178 8.291217 9.070484 21 22 23 24 25 21 O 0.000000 22 C 2.353572 0.000000 23 C 2.743361 1.392131 0.000000 24 C 4.125424 2.410880 1.382140 0.000000 25 C 4.963348 2.786147 2.397540 1.385938 0.000000 26 C 4.763826 2.410433 2.765887 2.396947 1.384397 27 C 3.631984 1.391883 2.396828 2.769119 2.400059 28 H 2.385896 2.125512 1.072434 2.138730 3.374092 29 H 4.754149 3.381931 2.131287 1.075122 2.139015 30 H 6.013547 3.861643 3.372797 2.139023 1.075497 31 H 5.717674 3.380940 3.840908 3.373177 2.137695 32 H 4.024571 2.164681 3.388250 3.842891 3.354659 26 27 28 29 30 26 C 0.000000 27 C 1.384813 0.000000 28 H 3.838250 3.363025 0.000000 29 H 3.372927 3.844232 2.463794 0.000000 30 H 2.136151 3.374254 4.265524 2.467002 0.000000 31 H 1.075033 2.132124 4.913248 4.264464 2.463346 32 H 2.106966 1.074648 4.273787 4.917981 4.235065 31 32 31 H 0.000000 32 H 2.410050 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.521504 -0.724987 -0.201370 2 6 0 -5.095156 -1.014738 1.175781 3 8 0 -5.032130 0.459944 -0.738741 4 7 0 0.984801 -0.243620 -0.027596 5 6 0 -0.377003 -0.394607 -0.058148 6 7 0 -0.921044 -1.553345 -0.114856 7 6 0 -2.276285 -1.713424 -0.141411 8 8 0 -2.821574 -2.778481 -0.152594 9 7 0 -3.065893 -0.551443 -0.153421 10 6 0 -2.504139 0.670708 -0.084693 11 6 0 -1.172176 0.813780 -0.027447 12 1 0 -4.698941 -1.555288 -0.865675 13 1 0 -4.656587 -1.915400 1.581893 14 1 0 -6.169132 -1.161129 1.105658 15 1 0 1.290521 0.697291 0.015093 16 6 0 1.979700 -1.216588 -0.038820 17 1 0 -3.172520 1.505135 -0.090516 18 35 0 -0.417267 2.548643 0.063633 19 1 0 -4.904709 -0.182131 1.844469 20 1 0 -5.971065 0.383104 -0.836204 21 8 0 1.762638 -2.382109 -0.067587 22 6 0 3.389642 -0.682562 -0.006780 23 6 0 4.401426 -1.638104 0.028743 24 6 0 5.729892 -1.257968 0.060174 25 6 0 6.066866 0.086371 0.055099 26 6 0 5.069582 1.045844 0.017790 27 6 0 3.738561 0.664864 -0.012903 28 1 0 4.128389 -2.675195 0.031528 29 1 0 6.499494 -2.008173 0.088293 30 1 0 7.099898 0.384635 0.079127 31 1 0 5.323927 2.090337 0.011440 32 1 0 3.002096 1.446787 -0.045863 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5085675 0.1430220 0.1134412 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1893.1439825350 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= 339 RedAO= T EigKep= 4.20D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 -0.000905 -0.000010 0.000148 Ang= -0.11 deg. 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) = -3457.12141068 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 -0.000064441 -0.000646120 -0.000107727 2 6 -0.000173575 0.000088523 -0.000019883 3 8 -0.000272822 0.000709411 0.000128877 4 7 -0.000461435 -0.000490674 0.000145494 5 6 0.000465751 -0.000302302 -0.000014936 6 7 0.000052673 0.000199629 -0.000046751 7 6 -0.000505444 0.000237357 0.000082641 8 8 0.000251185 0.000046449 -0.000231840 9 7 -0.000194781 0.000065832 0.000337136 10 6 0.000421215 -0.000155191 -0.000314489 11 6 -0.000015499 -0.000229171 -0.000035955 12 1 0.000110188 0.000032468 -0.000116809 13 1 0.000176657 0.000106462 0.000059266 14 1 0.000129792 -0.000211835 0.000016835 15 1 0.000164969 0.000253596 0.000202898 16 6 0.000025275 0.000251990 -0.000093262 17 1 -0.000082564 -0.000005194 0.000032743 18 35 -0.000294160 0.000155614 0.000123263 19 1 -0.000029503 0.000012042 0.000088798 20 1 0.000215494 -0.000193817 -0.000050246 21 8 0.000095396 0.000042821 -0.000080517 22 6 0.000129507 0.000166111 -0.000094304 23 6 0.000257733 -0.000034237 0.000013400 24 6 0.000008034 0.000223658 -0.000011429 25 6 -0.000050192 0.000094338 0.000001494 26 6 -0.000046318 0.000108785 0.000002204 27 6 -0.000261157 -0.000236793 0.000066007 28 1 -0.000153880 -0.000023340 0.000056857 29 1 -0.000097635 -0.000178745 0.000060978 30 1 0.000087549 -0.000184226 -0.000027419 31 1 0.000151604 -0.000038585 -0.000061793 32 1 -0.000039616 0.000135143 -0.000111532 ------------------------------------------------------------------- Cartesian Forces: Max 0.000709411 RMS 0.000202333 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000407760 RMS 0.000128947 Search for a local minimum. Step number 10 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 3 4 5 6 7 8 9 10 DE= -1.52D-05 DEPred=-1.36D-05 R= 1.12D+00 TightC=F SS= 1.41D+00 RLast= 5.15D-02 DXNew= 7.0190D-01 1.5450D-01 Trust test= 1.12D+00 RLast= 5.15D-02 DXMaxT set to 4.17D-01 ITU= 1 1 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00084 0.00284 0.01331 0.01403 0.01492 Eigenvalues --- 0.01520 0.01592 0.01602 0.01702 0.01828 Eigenvalues --- 0.01866 0.01913 0.02043 0.02068 0.02112 Eigenvalues --- 0.02115 0.02120 0.02132 0.02445 0.02527 Eigenvalues --- 0.02575 0.02596 0.02618 0.04052 0.05108 Eigenvalues --- 0.05600 0.05679 0.06763 0.08360 0.08711 Eigenvalues --- 0.14758 0.15771 0.15958 0.16000 0.16000 Eigenvalues --- 0.16000 0.16003 0.16012 0.16100 0.16178 Eigenvalues --- 0.16942 0.18764 0.19769 0.21657 0.22000 Eigenvalues --- 0.22070 0.23446 0.23666 0.23874 0.24372 Eigenvalues --- 0.24727 0.24965 0.25012 0.25259 0.27293 Eigenvalues --- 0.27536 0.28467 0.30018 0.31836 0.33727 Eigenvalues --- 0.33824 0.33904 0.34329 0.34802 0.35163 Eigenvalues --- 0.35490 0.35971 0.38371 0.38401 0.38438 Eigenvalues --- 0.38601 0.38712 0.39230 0.40703 0.43037 Eigenvalues --- 0.43739 0.44223 0.46006 0.48605 0.49464 Eigenvalues --- 0.50546 0.52451 0.55849 0.56143 0.57074 Eigenvalues --- 0.58424 0.65737 0.73723 0.87760 0.90676 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 10 9 8 7 6 5 RFO step: Lambda=-8.81847962D-05. DidBck=F Rises=F RFO-DIIS coefs: 2.47310 -0.81958 0.56207 -0.77649 -0.28301 RFO-DIIS coefs: -0.15610 Iteration 1 RMS(Cart)= 0.04314945 RMS(Int)= 0.00062355 Iteration 2 RMS(Cart)= 0.00098532 RMS(Int)= 0.00002051 Iteration 3 RMS(Cart)= 0.00000032 RMS(Int)= 0.00002051 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87187 0.00017 -0.00062 0.00024 -0.00038 2.87149 R2 2.64127 -0.00028 0.00076 -0.00027 0.00049 2.64176 R3 2.77167 0.00013 -0.00011 0.00106 0.00094 2.77261 R4 2.03721 0.00015 -0.00179 0.00246 0.00067 2.03788 R5 2.04271 0.00020 -0.00366 0.00249 -0.00117 2.04154 R6 2.05257 0.00024 -0.00250 0.00230 -0.00020 2.05237 R7 2.04985 0.00009 -0.00148 0.00130 -0.00018 2.04967 R8 1.78976 0.00026 -0.00340 0.00338 -0.00002 1.78974 R9 2.58985 0.00016 -0.00183 0.00220 0.00037 2.59022 R10 1.87131 -0.00004 0.00023 0.00006 0.00029 1.87160 R11 2.62979 0.00041 -0.00318 0.00150 -0.00168 2.62811 R12 2.42141 -0.00015 -0.00039 0.00069 0.00030 2.42171 R13 2.73419 0.00009 -0.00080 -0.00004 -0.00085 2.73334 R14 2.57933 -0.00013 0.00032 -0.00032 0.00001 2.57933 R15 2.26122 0.00031 -0.00193 0.00224 0.00031 2.26153 R16 2.65493 0.00021 -0.00200 0.00171 -0.00027 2.65466 R17 2.54513 -0.00025 0.00085 -0.00069 0.00016 2.54530 R18 2.53383 0.00005 -0.00045 0.00088 0.00042 2.53426 R19 2.02036 0.00005 -0.00012 -0.00034 -0.00046 2.01990 R20 3.57949 0.00033 0.00295 -0.00170 0.00125 3.58074 R21 2.24104 0.00013 -0.00114 0.00158 0.00045 2.24149 R22 2.84976 0.00001 0.00163 -0.00182 -0.00019 2.84957 R23 2.63075 -0.00002 -0.00309 0.00227 -0.00082 2.62993 R24 2.63028 0.00015 0.00219 -0.00169 0.00050 2.63077 R25 2.61187 0.00005 0.00109 -0.00030 0.00080 2.61266 R26 2.02661 -0.00016 0.00174 -0.00144 0.00031 2.02691 R27 2.61904 -0.00006 -0.00265 0.00195 -0.00070 2.61834 R28 2.03169 -0.00021 0.00215 -0.00181 0.00034 2.03203 R29 2.61613 -0.00008 0.00205 -0.00111 0.00094 2.61707 R30 2.03239 -0.00020 0.00214 -0.00183 0.00031 2.03270 R31 2.61692 -0.00006 -0.00288 0.00203 -0.00085 2.61607 R32 2.03152 -0.00016 0.00182 -0.00162 0.00019 2.03171 R33 2.03079 -0.00013 0.00140 -0.00114 0.00026 2.03105 A1 1.95210 0.00017 -0.00202 -0.00017 -0.00219 1.94991 A2 1.94717 0.00008 0.00475 -0.00360 0.00114 1.94831 A3 1.92776 -0.00005 0.00327 -0.00149 0.00177 1.92953 A4 1.84921 -0.00036 -0.00224 0.00134 -0.00090 1.84831 A5 1.93467 0.00007 -0.00316 0.00158 -0.00158 1.93310 A6 1.84899 0.00008 -0.00071 0.00257 0.00185 1.85084 A7 1.92427 0.00009 0.00190 -0.00006 0.00184 1.92611 A8 1.91816 0.00009 -0.00379 0.00104 -0.00275 1.91541 A9 1.92410 -0.00002 -0.00103 -0.00108 -0.00212 1.92199 A10 1.88928 -0.00007 0.00049 0.00023 0.00072 1.89000 A11 1.91422 -0.00005 0.00237 -0.00047 0.00190 1.91612 A12 1.89320 -0.00004 0.00007 0.00037 0.00043 1.89363 A13 1.91024 -0.00025 0.00069 -0.00114 -0.00045 1.90979 A14 1.99590 0.00035 -0.00818 0.00652 -0.00168 1.99422 A15 2.25645 -0.00027 0.00610 -0.00487 0.00121 2.25767 A16 2.03080 -0.00008 0.00205 -0.00166 0.00037 2.03117 A17 2.12058 -0.00022 0.00199 -0.00116 0.00084 2.12142 A18 2.04161 0.00002 -0.00089 0.00077 -0.00011 2.04150 A19 2.12098 0.00020 -0.00111 0.00039 -0.00074 2.12024 A20 2.12762 -0.00015 0.00178 -0.00151 0.00027 2.12789 A21 2.16162 -0.00016 -0.00102 0.00096 -0.00019 2.16142 A22 2.05015 0.00006 -0.00097 0.00164 0.00055 2.05070 A23 2.07141 0.00009 0.00239 -0.00260 -0.00035 2.07106 A24 2.04901 0.00038 -0.00403 0.00041 -0.00366 2.04535 A25 2.12114 -0.00038 0.00360 0.00056 0.00412 2.12526 A26 2.11257 0.00000 0.00086 -0.00105 -0.00023 2.11235 A27 2.10986 0.00003 -0.00026 -0.00012 -0.00039 2.10947 A28 2.03442 0.00006 -0.00347 0.00282 -0.00064 2.03378 A29 2.13883 -0.00008 0.00372 -0.00268 0.00105 2.13988 A30 2.04420 -0.00013 0.00052 0.00051 0.00100 2.04519 A31 2.14947 -0.00015 0.00372 -0.00305 0.00068 2.15015 A32 2.08942 0.00028 -0.00421 0.00253 -0.00166 2.08776 A33 2.16094 -0.00001 -0.00026 0.00069 0.00043 2.16137 A34 2.00497 0.00008 -0.00048 0.00050 0.00001 2.00498 A35 2.11727 -0.00007 0.00076 -0.00119 -0.00044 2.11683 A36 2.02305 -0.00002 0.00016 0.00016 0.00032 2.02337 A37 2.18596 -0.00002 0.00121 -0.00150 -0.00029 2.18567 A38 2.07417 0.00003 -0.00138 0.00134 -0.00004 2.07414 A39 2.10640 -0.00004 0.00071 -0.00067 0.00004 2.10644 A40 2.07008 0.00000 0.00145 -0.00099 0.00046 2.07054 A41 2.10670 0.00003 -0.00216 0.00166 -0.00050 2.10620 A42 2.09485 -0.00001 0.00037 -0.00042 -0.00005 2.09480 A43 2.09060 0.00003 -0.00266 0.00226 -0.00040 2.09020 A44 2.09774 -0.00002 0.00229 -0.00184 0.00044 2.09818 A45 2.09117 0.00004 -0.00031 0.00029 -0.00002 2.09115 A46 2.09724 0.00000 0.00165 -0.00153 0.00012 2.09736 A47 2.09477 -0.00005 -0.00134 0.00124 -0.00010 2.09467 A48 2.09708 0.00006 -0.00070 0.00058 -0.00012 2.09695 A49 2.09797 0.00002 -0.00272 0.00217 -0.00055 2.09743 A50 2.08813 -0.00008 0.00342 -0.00275 0.00067 2.08880 A51 2.10270 -0.00009 0.00131 -0.00113 0.00018 2.10288 A52 2.13260 0.00010 -0.00265 0.00166 -0.00099 2.13160 A53 2.04788 -0.00002 0.00133 -0.00054 0.00078 2.04866 D1 -3.10531 0.00016 0.00196 -0.00029 0.00167 -3.10365 D2 1.09665 0.00014 0.00254 -0.00119 0.00136 1.09801 D3 -0.98930 0.00015 0.00549 -0.00162 0.00387 -0.98544 D4 -1.03747 -0.00012 0.00095 -0.00112 -0.00017 -1.03764 D5 -3.11869 -0.00015 0.00153 -0.00201 -0.00048 -3.11917 D6 1.07854 -0.00014 0.00448 -0.00244 0.00203 1.08057 D7 1.01419 -0.00000 0.00510 -0.00112 0.00399 1.01818 D8 -1.06703 -0.00003 0.00568 -0.00201 0.00368 -1.06335 D9 3.13020 -0.00002 0.00863 -0.00245 0.00619 3.13639 D10 -1.06984 -0.00004 0.00160 -0.00117 0.00043 -1.06941 D11 3.08814 -0.00001 -0.00158 0.00247 0.00089 3.08903 D12 1.08996 0.00006 0.00204 -0.00206 -0.00002 1.08994 D13 1.42197 0.00007 -0.03660 0.00167 -0.03494 1.38703 D14 -1.68711 0.00001 -0.04903 0.00441 -0.04462 -1.73172 D15 -2.73285 0.00009 -0.03776 0.00022 -0.03754 -2.77038 D16 0.44127 0.00003 -0.05019 0.00297 -0.04721 0.39405 D17 -0.67662 0.00003 -0.04277 0.00388 -0.03889 -0.71551 D18 2.49750 -0.00003 -0.05520 0.00663 -0.04857 2.44893 D19 3.14058 -0.00001 0.00119 0.00032 0.00150 -3.14111 D20 0.00207 0.00008 0.00448 0.00089 0.00537 0.00744 D21 -0.00959 -0.00009 -0.00637 -0.00098 -0.00735 -0.01694 D22 3.13509 0.00000 -0.00308 -0.00042 -0.00349 3.13160 D23 -0.01161 -0.00013 -0.00462 -0.00164 -0.00625 -0.01786 D24 3.13335 -0.00011 -0.00762 -0.00220 -0.00981 3.12354 D25 3.12126 -0.00021 -0.01232 -0.00293 -0.01526 3.10600 D26 -0.01697 -0.00019 -0.01532 -0.00349 -0.01882 -0.03579 D27 3.13793 0.00006 0.00342 -0.00037 0.00305 3.14098 D28 -0.00689 -0.00003 -0.00002 -0.00097 -0.00098 -0.00788 D29 3.11854 -0.00004 0.00558 -0.00258 0.00301 3.12154 D30 -0.00777 -0.00003 0.00375 -0.00228 0.00147 -0.00630 D31 -0.01996 0.00005 0.00887 -0.00201 0.00686 -0.01310 D32 3.13692 0.00006 0.00704 -0.00171 0.00533 -3.14094 D33 -3.09976 -0.00005 -0.01174 0.00196 -0.00978 -3.10953 D34 0.03956 -0.00003 -0.01198 0.00325 -0.00873 0.03083 D35 3.12668 0.00002 0.00330 0.00006 0.00338 3.13006 D36 -0.04727 0.00007 0.01572 -0.00264 0.01307 -0.03420 D37 -0.01707 0.00004 0.00307 0.00128 0.00437 -0.01270 D38 3.09217 0.00009 0.01549 -0.00142 0.01406 3.10623 D39 3.12940 0.00002 0.00572 -0.00316 0.00259 3.13198 D40 -0.02460 0.00001 0.00492 -0.00065 0.00429 -0.02031 D41 0.02150 -0.00005 -0.00705 -0.00034 -0.00740 0.01410 D42 -3.13249 -0.00006 -0.00785 0.00216 -0.00570 -3.13819 D43 0.01181 -0.00001 -0.00499 0.00256 -0.00243 0.00938 D44 3.13866 -0.00002 -0.00314 0.00222 -0.00093 3.13773 D45 -3.11663 -0.00001 -0.00409 -0.00014 -0.00423 -3.12086 D46 0.01022 -0.00002 -0.00225 -0.00048 -0.00273 0.00750 D47 3.10479 -0.00020 -0.02865 -0.00661 -0.03526 3.06954 D48 -0.03915 -0.00022 -0.03053 -0.00698 -0.03751 -0.07666 D49 -0.03353 -0.00018 -0.03157 -0.00715 -0.03872 -0.07225 D50 3.10571 -0.00020 -0.03345 -0.00752 -0.04097 3.06474 D51 -3.14152 -0.00000 0.00027 0.00019 0.00046 -3.14106 D52 -0.00027 -0.00000 -0.00015 -0.00008 -0.00023 -0.00049 D53 0.00227 0.00002 0.00202 0.00054 0.00256 0.00483 D54 -3.13966 0.00002 0.00161 0.00027 0.00187 -3.13779 D55 -3.14077 0.00001 0.00037 0.00003 0.00040 -3.14038 D56 -0.00435 -0.00004 -0.00384 -0.00089 -0.00473 -0.00908 D57 -0.00160 -0.00001 -0.00156 -0.00035 -0.00191 -0.00351 D58 3.13482 -0.00006 -0.00577 -0.00127 -0.00703 3.12779 D59 -0.00120 -0.00001 -0.00091 -0.00039 -0.00130 -0.00250 D60 3.14065 -0.00000 -0.00093 -0.00024 -0.00117 3.13948 D61 3.14075 -0.00001 -0.00048 -0.00012 -0.00060 3.14014 D62 -0.00059 -0.00000 -0.00051 0.00004 -0.00047 -0.00106 D63 -0.00058 -0.00000 -0.00069 0.00006 -0.00063 -0.00122 D64 -3.14118 0.00000 0.00024 0.00013 0.00037 -3.14081 D65 3.14076 -0.00001 -0.00067 -0.00010 -0.00077 3.13999 D66 0.00016 -0.00000 0.00027 -0.00003 0.00024 0.00040 D67 0.00125 0.00001 0.00115 0.00012 0.00127 0.00252 D68 -3.13922 0.00001 0.00207 0.00034 0.00242 -3.13680 D69 -3.14134 0.00000 0.00021 0.00006 0.00027 -3.14107 D70 0.00138 0.00001 0.00114 0.00028 0.00141 0.00279 D71 -0.00015 -0.00000 -0.00001 0.00002 0.00002 -0.00013 D72 -3.13681 0.00005 0.00400 0.00090 0.00491 -3.13190 D73 3.14033 -0.00001 -0.00093 -0.00019 -0.00112 3.13921 D74 0.00366 0.00004 0.00308 0.00068 0.00377 0.00743 Item Value Threshold Converged? Maximum Force 0.000408 0.000450 YES RMS Force 0.000129 0.000300 YES Maximum Displacement 0.165590 0.001800 NO RMS Displacement 0.043261 0.001200 NO Predicted change in Energy=-2.020633D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.640857 -6.538209 1.298426 2 6 0 7.712539 -6.846236 2.330696 3 8 0 5.565913 -7.427515 1.387451 4 7 0 4.645701 -1.418787 1.936185 5 6 0 5.170292 -2.674761 1.774580 6 7 0 6.286395 -2.863022 1.173629 7 6 0 6.816055 -4.110183 1.009108 8 8 0 7.869345 -4.322733 0.482221 9 7 0 6.072225 -5.199615 1.492096 10 6 0 4.900213 -5.012348 2.128881 11 6 0 4.402489 -3.779645 2.305475 12 1 0 7.059754 -6.543197 0.304720 13 1 0 8.513634 -6.124153 2.267720 14 1 0 8.127523 -7.832680 2.145618 15 1 0 3.779553 -1.398187 2.416047 16 6 0 5.163188 -0.189508 1.542197 17 1 0 4.396027 -5.891282 2.469159 18 35 0 2.747402 -3.557349 3.200862 19 1 0 7.284964 -6.834262 3.327428 20 1 0 5.871624 -8.308627 1.222643 21 8 0 6.205408 -0.057516 0.991473 22 6 0 4.293218 0.998519 1.867132 23 6 0 4.829172 2.246466 1.563483 24 6 0 4.115845 3.402440 1.821103 25 6 0 2.852332 3.326331 2.384604 26 6 0 2.306653 2.089944 2.687106 27 6 0 3.021828 0.932748 2.430435 28 1 0 5.807523 2.293121 1.126316 29 1 0 4.545167 4.358954 1.582270 30 1 0 2.294978 4.224160 2.585366 31 1 0 1.324912 2.023952 3.120405 32 1 0 2.552274 -0.002819 2.674163 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519528 0.000000 3 O 1.397961 2.415699 0.000000 4 N 5.531354 6.246467 6.103500 0.000000 5 C 4.161192 4.916655 4.784878 1.370687 0.000000 6 N 3.694350 4.386193 4.625950 2.314991 1.281511 7 C 2.451471 3.168006 3.565205 3.579598 2.314070 8 O 2.661524 3.132015 3.970506 4.575893 3.416269 9 N 1.467203 2.470879 2.287103 4.065323 2.695955 10 C 2.459217 3.363489 2.612644 3.607713 2.379661 11 C 3.692440 4.512322 3.937420 2.401912 1.446423 12 H 1.078402 2.150009 2.045943 5.894821 4.549215 13 H 2.149016 1.080335 3.341061 6.100107 4.829020 14 H 2.145592 1.086065 2.702003 7.301026 5.957098 15 H 5.987985 6.719889 6.371961 0.990405 1.993809 16 C 6.522955 7.171677 7.250854 1.390735 2.496104 17 H 2.613119 3.454036 2.213309 4.511055 3.380523 18 Br 5.259637 6.018850 5.119634 3.126722 2.946801 19 H 2.149272 1.084637 2.659059 6.182931 4.917786 20 H 1.931797 2.599103 0.947090 7.034340 5.704117 21 O 6.502555 7.081785 7.408281 2.275571 2.921419 22 C 7.914361 8.570113 8.535098 2.443845 3.777673 23 C 8.973460 9.569726 9.703592 3.688719 4.937550 24 C 10.269634 10.873420 10.935203 4.851620 6.168176 25 C 10.622705 11.274114 11.135665 5.092484 6.462056 26 C 9.754937 10.450165 10.143663 4.283249 5.633431 27 C 8.378187 9.084344 8.800805 2.900165 4.249724 28 H 8.872230 9.413154 9.727144 3.972905 5.050362 29 H 11.100480 11.668276 11.832190 5.789442 7.064057 30 H 11.677819 12.327550 12.161231 6.147371 7.517972 31 H 10.241557 10.959273 10.503306 4.927724 6.219011 32 H 7.830740 8.577801 8.115649 2.632871 3.847407 6 7 8 9 10 6 N 0.000000 7 C 1.364925 0.000000 8 O 2.261533 1.196749 0.000000 9 N 2.367902 1.404785 2.240181 0.000000 10 C 2.730130 2.395463 3.464507 1.346914 0.000000 11 C 2.381255 2.759551 3.954528 2.337930 1.341071 12 H 3.859635 2.544623 2.370107 2.047019 3.214760 13 H 4.097878 2.919239 2.616913 2.723388 3.783147 14 H 5.388137 4.107139 3.892721 3.403582 4.286034 15 H 3.158101 4.307522 5.386933 4.534412 3.794799 16 C 2.923202 4.288105 5.052760 5.092154 4.865505 17 H 3.797664 3.340748 4.297931 2.059780 1.068886 18 Br 4.137177 4.654390 5.849027 4.083058 2.810829 19 H 4.626741 3.607642 3.839854 2.740665 3.231551 20 H 5.461599 4.308651 4.519565 3.127107 3.553923 21 O 2.812579 4.098452 4.606528 5.168127 5.248579 22 C 4.400591 5.761923 6.559145 6.459287 6.047105 23 C 5.327509 6.682966 7.318891 7.549464 7.281147 24 C 6.662321 8.024336 8.692506 8.827855 8.456868 25 C 7.181040 8.538433 9.343322 9.157294 8.590272 26 C 6.531526 7.848055 8.770832 8.291276 7.581604 27 C 5.161862 6.468962 7.410400 6.913123 6.242069 28 H 5.178548 6.483300 6.959561 7.506328 7.429550 29 H 7.440147 8.787020 9.361194 9.680200 9.393941 30 H 8.255456 9.611763 10.418549 10.211286 9.607741 31 H 7.231097 8.499285 9.490523 8.795925 7.954584 32 H 4.937208 6.150014 7.192879 6.387020 5.559274 11 12 13 14 15 11 C 0.000000 12 H 4.324500 0.000000 13 H 4.732828 2.478454 0.000000 14 H 5.507134 2.488333 1.755863 0.000000 15 H 2.464066 6.456667 6.690910 7.770501 0.000000 16 C 3.748378 6.745197 6.853604 8.220066 2.034444 17 H 2.117981 3.493599 4.129104 4.218740 4.535501 18 Br 1.894847 5.991603 6.380334 6.952532 2.518581 19 H 4.322468 3.045028 1.771120 1.761652 6.532184 20 H 4.882885 2.317537 3.583899 2.483442 7.318140 21 O 4.339511 6.577659 6.615194 8.091956 3.116340 22 C 4.799473 8.183663 8.288839 9.631694 2.511844 23 C 6.086594 9.155226 9.172703 10.621073 3.887423 24 C 7.204105 10.482448 10.502190 11.934270 4.849027 25 C 7.273524 10.928673 11.017062 12.345375 4.814748 26 C 6.244217 10.138977 10.304072 11.516693 3.796046 27 C 4.912075 8.758610 8.943504 10.148003 2.451042 28 H 6.343739 8.962344 8.914950 10.438066 4.404749 29 H 8.171914 11.261091 11.230054 12.719535 5.867368 30 H 8.281354 11.993348 12.077258 13.400722 5.817509 31 H 6.619466 10.687027 10.899377 12.015778 4.269943 32 H 4.221805 8.289040 8.554165 9.626499 1.876137 16 17 18 19 20 16 C 0.000000 17 H 5.827351 0.000000 18 Br 4.464251 2.949677 0.000000 19 H 7.200120 3.157815 5.598539 0.000000 20 H 8.156230 3.094309 6.020695 2.932814 0.000000 21 O 1.186145 6.284126 5.393332 7.248890 8.261094 22 C 1.507926 6.916818 4.992426 8.510903 9.462014 23 C 2.458860 8.199440 6.379580 9.570895 10.611922 24 C 3.751907 9.320501 7.225997 10.821386 11.857066 25 C 4.290784 9.346365 6.932700 11.125412 12.076363 26 C 3.829688 8.253057 5.687717 10.238899 11.089813 27 C 2.575625 6.961128 4.563971 8.905355 9.745928 28 H 2.598379 8.413085 6.920699 9.504569 10.602379 29 H 4.590431 10.289613 8.277659 11.655047 12.741916 30 H 5.366125 10.331992 7.818913 12.154805 13.104204 31 H 4.703457 8.515092 5.760284 10.678625 11.447108 32 H 2.851854 6.173771 3.598634 8.336289 9.061537 21 22 23 24 25 21 O 0.000000 22 C 2.353393 0.000000 23 C 2.744004 1.391697 0.000000 24 C 4.126240 2.410895 1.382562 0.000000 25 C 4.963301 2.786151 2.397549 1.385566 0.000000 26 C 4.763092 2.410396 2.765887 2.397037 1.384892 27 C 3.631310 1.392145 2.396654 2.769032 2.400015 28 H 2.387884 2.125540 1.072596 2.138946 3.374013 29 H 4.755066 3.381885 2.131575 1.075303 2.139097 30 H 6.013710 3.861810 3.373078 2.138897 1.075660 31 H 5.717001 3.381279 3.841010 3.373088 2.137898 32 H 4.022415 2.164454 3.387795 3.842949 3.355163 26 27 28 29 30 26 C 0.000000 27 C 1.384363 0.000000 28 H 3.838416 3.363248 0.000000 29 H 3.373427 3.844324 2.463555 0.000000 30 H 2.136671 3.374271 4.265643 2.467331 0.000000 31 H 1.075136 2.132208 4.913516 4.264754 2.463373 32 H 2.107167 1.074788 4.273618 4.918222 4.235733 31 32 31 H 0.000000 32 H 2.411089 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.523304 -0.715623 -0.210830 2 6 0 -5.093980 -1.074686 1.150921 3 8 0 -5.037458 0.495025 -0.684402 4 7 0 0.984808 -0.245123 -0.023181 5 6 0 -0.377468 -0.392564 -0.058511 6 7 0 -0.925160 -1.549082 -0.127585 7 6 0 -2.280736 -1.704694 -0.162477 8 8 0 -2.828880 -2.768033 -0.194967 9 7 0 -3.067494 -0.540900 -0.158152 10 6 0 -2.502011 0.679152 -0.081480 11 6 0 -1.169350 0.817320 -0.023236 12 1 0 -4.702801 -1.509806 -0.917940 13 1 0 -4.654208 -1.992826 1.512505 14 1 0 -6.167574 -1.218804 1.072427 15 1 0 1.291100 0.695196 0.030568 16 6 0 1.977790 -1.218791 -0.033248 17 1 0 -3.168326 1.514939 -0.080365 18 35 0 -0.411075 2.550901 0.077572 19 1 0 -4.905048 -0.273861 1.857620 20 1 0 -5.976595 0.421528 -0.782384 21 8 0 1.759637 -2.384415 -0.059135 22 6 0 3.388425 -0.686483 -0.008800 23 6 0 4.397820 -1.641179 0.071806 24 6 0 5.727037 -1.261979 0.101262 25 6 0 6.066393 0.080306 0.047412 26 6 0 5.070904 1.039338 -0.037361 27 6 0 3.740005 0.659351 -0.065278 28 1 0 4.123334 -2.677296 0.111581 29 1 0 6.494772 -2.012119 0.165668 30 1 0 7.099821 0.377939 0.069443 31 1 0 5.327844 2.082282 -0.083914 32 1 0 3.004688 1.439586 -0.140853 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5082634 0.1430566 0.1133770 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1893.1008600024 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= 339 RedAO= T EigKep= 4.20D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999997 -0.002243 -0.000044 0.000424 Ang= -0.26 deg. 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) = -3457.12142970 A.U. after 13 cycles NFock= 13 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 -0.000692957 -0.001085063 0.000123789 2 6 -0.000415401 -0.000054102 -0.000064711 3 8 -0.000118314 0.000713650 -0.000160339 4 7 -0.000649396 -0.001233876 0.000722821 5 6 0.000423172 -0.000436709 -0.000551065 6 7 0.000084863 0.000425297 0.000068681 7 6 -0.000698884 0.000531136 -0.000106093 8 8 0.000098361 0.000084865 -0.000213999 9 7 0.000050879 0.000435344 0.000272695 10 6 0.000887788 -0.000216706 -0.000312304 11 6 -0.000287107 -0.000499040 0.000304084 12 1 0.000285294 0.000156714 -0.000007196 13 1 0.000298413 0.000190563 0.000098528 14 1 0.000254906 -0.000309341 0.000100443 15 1 0.000313534 0.000513548 0.000439128 16 6 0.000040851 0.000733441 -0.001406466 17 1 -0.000217558 0.000043204 0.000068460 18 35 -0.000096414 0.000241551 0.000026572 19 1 0.000041356 0.000034141 0.000139196 20 1 0.000204804 -0.000195755 -0.000052227 21 8 0.000074033 -0.000070811 0.000409464 22 6 0.000099319 0.000124369 0.000215607 23 6 0.000424372 0.000358731 0.000107537 24 6 0.000327472 0.000146381 -0.000151215 25 6 -0.000351698 -0.000033961 0.000125742 26 6 -0.000132710 0.000621707 -0.000037393 27 6 -0.000163344 -0.000647323 -0.000002617 28 1 -0.000267351 -0.000068214 0.000075972 29 1 -0.000189905 -0.000284383 0.000095382 30 1 0.000150827 -0.000289842 -0.000043758 31 1 0.000234187 -0.000095742 -0.000083808 32 1 -0.000013391 0.000166227 -0.000200909 ------------------------------------------------------------------- Cartesian Forces: Max 0.001406466 RMS 0.000383018 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000924425 RMS 0.000232365 Search for a local minimum. Step number 11 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 3 4 5 6 7 8 9 10 11 DE= -1.90D-05 DEPred=-2.02D-05 R= 9.41D-01 TightC=F SS= 1.41D+00 RLast= 1.36D-01 DXNew= 7.0190D-01 4.0814D-01 Trust test= 9.41D-01 RLast= 1.36D-01 DXMaxT set to 4.17D-01 ITU= 1 1 1 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00075 0.00284 0.01331 0.01473 0.01520 Eigenvalues --- 0.01536 0.01592 0.01622 0.01701 0.01828 Eigenvalues --- 0.01852 0.01912 0.02050 0.02072 0.02112 Eigenvalues --- 0.02115 0.02121 0.02133 0.02462 0.02530 Eigenvalues --- 0.02575 0.02585 0.02618 0.03809 0.05095 Eigenvalues --- 0.05598 0.05695 0.06815 0.08312 0.08727 Eigenvalues --- 0.14979 0.15755 0.15960 0.16000 0.16000 Eigenvalues --- 0.16000 0.16002 0.16025 0.16106 0.16211 Eigenvalues --- 0.17065 0.18810 0.19949 0.21668 0.22000 Eigenvalues --- 0.22049 0.23432 0.23657 0.23857 0.24390 Eigenvalues --- 0.24831 0.24976 0.25010 0.25326 0.27358 Eigenvalues --- 0.27655 0.28884 0.30933 0.32352 0.33728 Eigenvalues --- 0.33824 0.33922 0.34387 0.34850 0.35129 Eigenvalues --- 0.35604 0.36334 0.38370 0.38402 0.38438 Eigenvalues --- 0.38601 0.38709 0.39310 0.40819 0.43005 Eigenvalues --- 0.43619 0.44530 0.46659 0.49103 0.49729 Eigenvalues --- 0.50804 0.52157 0.55917 0.56144 0.57949 Eigenvalues --- 0.58117 0.65817 0.74374 0.87984 0.90732 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 11 10 9 8 7 6 5 RFO step: Lambda=-8.93628619D-05. DIIS inversion failure, remove point 7. RFO-DIIS uses 6 points instead of 7 DidBck=T Rises=F RFO-DIIS coefs: 0.71273 1.65433 -0.37791 -0.07745 -0.71260 RFO-DIIS coefs: -0.19910 0.00000 Iteration 1 RMS(Cart)= 0.02887972 RMS(Int)= 0.00027200 Iteration 2 RMS(Cart)= 0.00042680 RMS(Int)= 0.00002095 Iteration 3 RMS(Cart)= 0.00000006 RMS(Int)= 0.00002095 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87149 0.00034 -0.00167 0.00114 -0.00053 2.87096 R2 2.64176 -0.00041 0.00116 -0.00083 0.00034 2.64210 R3 2.77261 0.00042 0.00029 0.00064 0.00093 2.77354 R4 2.03788 0.00012 -0.00179 0.00231 0.00052 2.03841 R5 2.04154 0.00034 -0.00299 0.00250 -0.00049 2.04105 R6 2.05237 0.00036 -0.00238 0.00241 0.00003 2.05239 R7 2.04967 0.00011 -0.00126 0.00123 -0.00003 2.04964 R8 1.78974 0.00026 -0.00256 0.00289 0.00033 1.79008 R9 2.59022 0.00002 -0.00129 0.00183 0.00054 2.59076 R10 1.87160 -0.00005 0.00035 -0.00018 0.00017 1.87176 R11 2.62811 0.00092 -0.00255 0.00174 -0.00080 2.62731 R12 2.42171 -0.00037 -0.00078 0.00076 -0.00002 2.42168 R13 2.73334 0.00014 -0.00010 -0.00015 -0.00026 2.73309 R14 2.57933 -0.00027 0.00147 -0.00111 0.00035 2.57969 R15 2.26153 0.00017 -0.00171 0.00205 0.00034 2.26187 R16 2.65466 0.00037 -0.00213 0.00185 -0.00027 2.65439 R17 2.54530 -0.00038 0.00161 -0.00133 0.00028 2.54558 R18 2.53426 -0.00003 -0.00077 0.00097 0.00021 2.53446 R19 2.01990 0.00009 -0.00002 -0.00024 -0.00026 2.01965 R20 3.58074 0.00013 0.00069 0.00048 0.00117 3.58191 R21 2.24149 -0.00013 -0.00112 0.00143 0.00032 2.24181 R22 2.84957 -0.00005 0.00215 -0.00188 0.00027 2.84983 R23 2.62993 0.00016 -0.00413 0.00304 -0.00109 2.62884 R24 2.63077 0.00004 0.00272 -0.00188 0.00085 2.63162 R25 2.61266 -0.00014 0.00249 -0.00133 0.00116 2.61383 R26 2.02691 -0.00028 0.00180 -0.00163 0.00017 2.02708 R27 2.61834 0.00013 -0.00389 0.00276 -0.00114 2.61720 R28 2.03203 -0.00035 0.00216 -0.00200 0.00016 2.03219 R29 2.61707 -0.00032 0.00351 -0.00232 0.00119 2.61825 R30 2.03270 -0.00033 0.00213 -0.00199 0.00014 2.03284 R31 2.61607 0.00015 -0.00404 0.00283 -0.00121 2.61486 R32 2.03171 -0.00024 0.00179 -0.00172 0.00007 2.03179 R33 2.03105 -0.00018 0.00147 -0.00134 0.00014 2.03119 A1 1.94991 0.00018 -0.00222 0.00085 -0.00136 1.94854 A2 1.94831 0.00005 0.00319 -0.00296 0.00023 1.94853 A3 1.92953 -0.00005 0.00265 -0.00136 0.00127 1.93080 A4 1.84831 -0.00023 -0.00054 -0.00022 -0.00075 1.84756 A5 1.93310 0.00003 -0.00245 0.00180 -0.00065 1.93245 A6 1.85084 0.00002 -0.00066 0.00199 0.00130 1.85214 A7 1.92611 0.00011 0.00091 0.00016 0.00107 1.92718 A8 1.91541 0.00026 -0.00339 0.00177 -0.00163 1.91378 A9 1.92199 0.00004 0.00038 -0.00144 -0.00107 1.92092 A10 1.89000 -0.00016 0.00028 0.00005 0.00033 1.89033 A11 1.91612 -0.00013 0.00174 -0.00070 0.00104 1.91716 A12 1.89363 -0.00013 0.00008 0.00019 0.00026 1.89389 A13 1.90979 -0.00023 0.00174 -0.00209 -0.00035 1.90945 A14 1.99422 0.00074 -0.00779 0.00682 -0.00099 1.99323 A15 2.25767 -0.00059 0.00669 -0.00559 0.00108 2.25875 A16 2.03117 -0.00015 0.00108 -0.00125 -0.00020 2.03098 A17 2.12142 -0.00056 0.00286 -0.00204 0.00084 2.12226 A18 2.04150 0.00018 -0.00147 0.00102 -0.00043 2.04107 A19 2.12024 0.00038 -0.00139 0.00100 -0.00043 2.11982 A20 2.12789 -0.00029 0.00250 -0.00217 0.00028 2.12817 A21 2.16142 -0.00021 -0.00135 0.00106 -0.00036 2.16106 A22 2.05070 0.00014 -0.00171 0.00198 0.00015 2.05085 A23 2.07106 0.00008 0.00333 -0.00304 0.00021 2.07128 A24 2.04535 0.00082 -0.00264 0.00067 -0.00202 2.04333 A25 2.12526 -0.00076 0.00210 0.00018 0.00223 2.12749 A26 2.11235 -0.00006 0.00094 -0.00094 -0.00009 2.11225 A27 2.10947 0.00006 0.00010 -0.00020 -0.00014 2.10933 A28 2.03378 0.00018 -0.00433 0.00350 -0.00081 2.03297 A29 2.13988 -0.00024 0.00423 -0.00328 0.00096 2.14084 A30 2.04519 -0.00023 0.00032 0.00017 0.00046 2.04565 A31 2.15015 -0.00030 0.00366 -0.00325 0.00042 2.15057 A32 2.08776 0.00053 -0.00395 0.00307 -0.00087 2.08689 A33 2.16137 -0.00003 0.00046 0.00003 0.00049 2.16186 A34 2.00498 -0.00014 -0.00105 0.00119 0.00014 2.00512 A35 2.11683 0.00017 0.00060 -0.00122 -0.00063 2.11621 A36 2.02337 0.00016 -0.00025 0.00004 -0.00021 2.02316 A37 2.18567 -0.00028 0.00157 -0.00126 0.00031 2.18599 A38 2.07414 0.00012 -0.00133 0.00122 -0.00011 2.07403 A39 2.10644 -0.00011 0.00112 -0.00087 0.00025 2.10669 A40 2.07054 -0.00000 0.00183 -0.00136 0.00047 2.07101 A41 2.10620 0.00011 -0.00295 0.00223 -0.00072 2.10548 A42 2.09480 0.00001 -0.00006 -0.00015 -0.00021 2.09459 A43 2.09020 0.00006 -0.00323 0.00266 -0.00057 2.08963 A44 2.09818 -0.00007 0.00329 -0.00251 0.00078 2.09896 A45 2.09115 0.00008 -0.00050 0.00042 -0.00008 2.09107 A46 2.09736 -0.00001 0.00248 -0.00195 0.00053 2.09789 A47 2.09467 -0.00007 -0.00199 0.00153 -0.00046 2.09422 A48 2.09695 0.00006 -0.00020 0.00038 0.00017 2.09713 A49 2.09743 0.00008 -0.00353 0.00276 -0.00077 2.09666 A50 2.08880 -0.00015 0.00373 -0.00314 0.00059 2.08940 A51 2.10288 -0.00016 0.00097 -0.00100 -0.00003 2.10284 A52 2.13160 0.00011 -0.00269 0.00229 -0.00041 2.13119 A53 2.04866 0.00005 0.00172 -0.00130 0.00040 2.04907 D1 -3.10365 0.00012 -0.00055 0.00152 0.00097 -3.10268 D2 1.09801 0.00008 0.00066 0.00025 0.00092 1.09893 D3 -0.98544 0.00005 0.00247 -0.00020 0.00227 -0.98317 D4 -1.03764 -0.00002 -0.00058 -0.00016 -0.00074 -1.03838 D5 -3.11917 -0.00007 0.00064 -0.00143 -0.00079 -3.11996 D6 1.08057 -0.00009 0.00244 -0.00187 0.00056 1.08112 D7 1.01818 -0.00000 0.00227 -0.00042 0.00185 1.02003 D8 -1.06335 -0.00005 0.00349 -0.00170 0.00181 -1.06154 D9 3.13639 -0.00007 0.00529 -0.00214 0.00315 3.13954 D10 -1.06941 -0.00001 0.00177 -0.00169 0.00008 -1.06932 D11 3.08903 -0.00003 -0.00049 0.00157 0.00108 3.09011 D12 1.08994 0.00006 0.00179 -0.00152 0.00028 1.09022 D13 1.38703 0.00025 -0.01918 0.00051 -0.01866 1.36836 D14 -1.73172 0.00017 -0.03031 0.00446 -0.02585 -1.75758 D15 -2.77038 0.00035 -0.02038 -0.00030 -0.02068 -2.79107 D16 0.39405 0.00027 -0.03151 0.00364 -0.02787 0.36618 D17 -0.71551 0.00028 -0.02376 0.00260 -0.02117 -0.73667 D18 2.44893 0.00020 -0.03489 0.00654 -0.02835 2.42057 D19 -3.14111 0.00011 0.00203 -0.00024 0.00178 -3.13933 D20 0.00744 0.00008 0.00195 0.00204 0.00397 0.01141 D21 -0.01694 -0.00007 -0.00333 -0.00153 -0.00484 -0.02179 D22 3.13160 -0.00011 -0.00341 0.00075 -0.00265 3.12895 D23 -0.01786 -0.00043 -0.00426 -0.00328 -0.00752 -0.02538 D24 3.12354 -0.00000 -0.00342 -0.00025 -0.00365 3.11989 D25 3.10600 -0.00061 -0.00972 -0.00453 -0.01427 3.09173 D26 -0.03579 -0.00018 -0.00888 -0.00150 -0.01040 -0.04619 D27 3.14098 -0.00002 0.00154 0.00044 0.00198 -3.14023 D28 -0.00788 0.00001 0.00162 -0.00194 -0.00032 -0.00819 D29 3.12154 0.00003 0.00663 -0.00423 0.00241 3.12395 D30 -0.00630 0.00003 0.00516 -0.00361 0.00155 -0.00474 D31 -0.01310 -0.00000 0.00654 -0.00194 0.00459 -0.00851 D32 -3.14094 0.00001 0.00507 -0.00132 0.00374 -3.13720 D33 -3.10953 -0.00009 -0.01080 0.00328 -0.00748 -3.11701 D34 0.03083 -0.00005 -0.01164 0.00504 -0.00659 0.02424 D35 3.13006 0.00001 0.00293 -0.00054 0.00244 3.13250 D36 -0.03420 0.00008 0.01405 -0.00443 0.00960 -0.02460 D37 -0.01270 0.00005 0.00209 0.00113 0.00328 -0.00942 D38 3.10623 0.00012 0.01321 -0.00277 0.01043 3.11666 D39 3.13198 0.00001 0.00536 -0.00346 0.00195 3.13393 D40 -0.02031 0.00002 0.00473 -0.00168 0.00309 -0.01722 D41 0.01410 -0.00008 -0.00608 0.00061 -0.00549 0.00861 D42 -3.13819 -0.00007 -0.00671 0.00239 -0.00436 3.14064 D43 0.00938 0.00003 -0.00401 0.00249 -0.00152 0.00786 D44 3.13773 0.00002 -0.00252 0.00185 -0.00069 3.13704 D45 -3.12086 0.00002 -0.00328 0.00056 -0.00272 -3.12357 D46 0.00750 0.00001 -0.00179 -0.00009 -0.00188 0.00561 D47 3.06954 -0.00056 -0.02034 -0.00784 -0.02818 3.04135 D48 -0.07666 -0.00061 -0.02163 -0.00830 -0.02992 -0.10658 D49 -0.07225 -0.00014 -0.01953 -0.00489 -0.02442 -0.09667 D50 3.06474 -0.00019 -0.02081 -0.00535 -0.02616 3.03858 D51 -3.14106 -0.00003 0.00005 0.00000 0.00006 -3.14100 D52 -0.00049 -0.00001 -0.00010 -0.00015 -0.00025 -0.00074 D53 0.00483 0.00002 0.00124 0.00043 0.00168 0.00650 D54 -3.13779 0.00003 0.00110 0.00028 0.00137 -3.13642 D55 -3.14038 0.00004 0.00042 0.00024 0.00066 -3.13972 D56 -0.00908 -0.00006 -0.00246 -0.00084 -0.00329 -0.01237 D57 -0.00351 -0.00000 -0.00090 -0.00023 -0.00113 -0.00464 D58 3.12779 -0.00010 -0.00378 -0.00131 -0.00508 3.12271 D59 -0.00250 -0.00001 -0.00059 -0.00033 -0.00092 -0.00341 D60 3.13948 0.00000 -0.00058 -0.00017 -0.00076 3.13873 D61 3.14014 -0.00003 -0.00044 -0.00017 -0.00061 3.13954 D62 -0.00106 -0.00002 -0.00043 -0.00002 -0.00045 -0.00151 D63 -0.00122 -0.00000 -0.00042 0.00001 -0.00041 -0.00163 D64 -3.14081 0.00001 0.00016 0.00012 0.00029 -3.14052 D65 3.13999 -0.00002 -0.00043 -0.00014 -0.00058 3.13941 D66 0.00040 -0.00001 0.00015 -0.00003 0.00013 0.00052 D67 0.00252 0.00002 0.00077 0.00019 0.00096 0.00348 D68 -3.13680 0.00002 0.00133 0.00040 0.00173 -3.13507 D69 -3.14107 0.00001 0.00018 0.00008 0.00026 -3.14081 D70 0.00279 0.00001 0.00074 0.00029 0.00103 0.00382 D71 -0.00013 -0.00001 -0.00010 -0.00008 -0.00018 -0.00031 D72 -3.13190 0.00008 0.00265 0.00093 0.00359 -3.12831 D73 3.13921 -0.00002 -0.00066 -0.00028 -0.00095 3.13826 D74 0.00743 0.00008 0.00209 0.00073 0.00282 0.01025 Item Value Threshold Converged? Maximum Force 0.000924 0.000450 NO RMS Force 0.000232 0.000300 YES Maximum Displacement 0.117090 0.001800 NO RMS Displacement 0.028915 0.001200 NO Predicted change in Energy=-1.425225D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.632928 -6.542730 1.303463 2 6 0 7.734139 -6.835830 2.308220 3 8 0 5.563806 -7.433987 1.435501 4 7 0 4.645324 -1.418774 1.938615 5 6 0 5.167393 -2.676052 1.776558 6 7 0 6.278851 -2.868271 1.168321 7 6 0 6.804228 -4.117167 1.001682 8 8 0 7.850091 -4.333264 0.461213 9 7 0 6.064962 -5.203461 1.498138 10 6 0 4.895970 -5.012445 2.139657 11 6 0 4.400391 -3.778374 2.313531 12 1 0 7.021978 -6.559731 0.297531 13 1 0 8.531366 -6.113117 2.215066 14 1 0 8.145484 -7.823512 2.121545 15 1 0 3.783390 -1.396711 2.426120 16 6 0 5.162528 -0.190396 1.542952 17 1 0 4.393735 -5.889815 2.486368 18 35 0 2.748506 -3.552208 3.215146 19 1 0 7.333634 -6.814420 3.315960 20 1 0 5.867771 -8.316342 1.273108 21 8 0 6.206752 -0.058110 0.995743 22 6 0 4.292192 0.998192 1.865507 23 6 0 4.842103 2.246470 1.592348 24 6 0 4.129987 3.403781 1.850615 25 6 0 2.853730 3.327572 2.383050 26 6 0 2.293142 2.089781 2.653756 27 6 0 3.006798 0.932374 2.397245 28 1 0 5.830530 2.293778 1.178313 29 1 0 4.571348 4.360613 1.635829 30 1 0 2.296797 4.225666 2.584183 31 1 0 1.300437 2.024442 3.061515 32 1 0 2.524708 -0.003952 2.612202 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519246 0.000000 3 O 1.398139 2.414492 0.000000 4 N 5.532532 6.246749 6.105696 0.000000 5 C 4.162068 4.916767 4.786587 1.370972 0.000000 6 N 3.693952 4.377071 4.629086 2.315773 1.281499 7 C 2.450260 3.156407 3.567652 3.580507 2.314406 8 O 2.659439 3.112510 3.973767 4.576844 3.416629 9 N 1.467694 2.471237 2.286991 4.066109 2.696469 10 C 2.461303 3.377624 2.608775 3.608006 2.379967 11 C 3.694066 4.523487 3.935477 2.401721 1.446287 12 H 1.078679 2.150878 2.045866 5.896700 4.550821 13 H 2.149338 1.080076 3.340484 6.100377 4.829288 14 H 2.144175 1.086080 2.699527 7.301044 5.956878 15 H 5.988467 6.723565 6.371806 0.990494 1.993516 16 C 6.524690 7.166631 7.255493 1.390310 2.496614 17 H 2.615253 3.476345 2.204054 4.511489 3.380924 18 Br 5.261796 6.038313 5.114808 3.127137 2.947575 19 H 2.148243 1.084621 2.655613 6.183613 4.918175 20 H 1.931860 2.597441 0.947267 7.036598 5.705862 21 O 6.505891 7.070572 7.416895 2.275625 2.922937 22 C 7.915835 8.568248 8.538357 2.443721 3.778089 23 C 8.974439 9.558479 9.708590 3.686820 4.936697 24 C 10.271182 10.865033 10.940082 4.850810 6.168150 25 C 10.624063 11.274694 11.137931 5.092655 6.462536 26 C 9.755884 10.458985 10.143153 4.284174 5.634177 27 C 8.379878 9.093991 8.801093 2.902242 4.251372 28 H 8.873747 9.394155 9.734819 3.970620 5.049442 29 H 11.101507 11.653998 11.837977 5.787786 7.063266 30 H 11.679069 12.328728 12.163073 6.147524 7.518397 31 H 10.243176 10.975627 10.501530 4.930002 6.220861 32 H 7.832362 8.596809 8.113332 2.636750 3.849961 6 7 8 9 10 6 N 0.000000 7 C 1.365111 0.000000 8 O 2.261637 1.196928 0.000000 9 N 2.368045 1.404641 2.240344 0.000000 10 C 2.730079 2.395403 3.464865 1.347062 0.000000 11 C 2.380841 2.759376 3.954670 2.338062 1.341179 12 H 3.864892 2.551346 2.381117 2.048611 3.210519 13 H 4.086382 2.905017 2.589983 2.724813 3.799114 14 H 5.380276 4.097567 3.876312 3.403216 4.296716 15 H 3.158302 4.307594 5.387231 4.534100 3.793868 16 C 2.925327 4.290417 5.055344 5.093840 4.866135 17 H 3.797451 3.340217 4.297732 2.059291 1.068750 18 Br 4.137704 4.654834 5.849818 4.083336 2.810796 19 H 4.614868 3.593233 3.817387 2.740291 3.251616 20 H 5.464562 4.310881 4.522574 3.127227 3.551202 21 O 2.816378 4.102798 4.611206 5.171764 5.250916 22 C 4.402546 5.763975 6.561639 6.460508 6.047103 23 C 5.329599 6.685409 7.322592 7.550214 7.279718 24 C 6.664967 8.027260 8.696636 8.829099 8.455953 25 C 7.183000 8.540418 9.345881 9.158253 8.589870 26 C 6.532585 7.848913 8.771683 8.291770 7.581598 27 C 5.163476 6.470389 7.411656 6.914422 6.243092 28 H 5.181491 6.486871 6.964951 7.507719 7.428222 29 H 7.442506 8.789803 9.365541 9.680978 9.392201 30 H 8.257443 9.613746 10.421198 10.212101 9.607081 31 H 7.232388 8.500234 9.491047 8.797012 7.955845 32 H 4.937884 6.150333 7.192315 6.388226 5.561581 11 12 13 14 15 11 C 0.000000 12 H 4.321218 0.000000 13 H 4.746122 2.480858 0.000000 14 H 5.515951 2.487254 1.755877 0.000000 15 H 2.462862 6.455705 6.695693 7.773314 0.000000 16 C 3.748097 6.751078 6.846855 8.215671 2.034011 17 H 2.118514 3.485320 4.152524 4.236496 4.534770 18 Br 1.895465 5.985002 6.403115 6.969030 2.517879 19 H 4.338934 3.045145 1.771541 1.761817 6.538166 20 H 4.881478 2.317246 3.582768 2.480062 7.318153 21 O 4.340492 6.589626 6.599522 8.082548 3.116169 22 C 4.798751 8.187336 8.286344 9.629947 2.511717 23 C 6.083910 9.163929 9.158665 10.611170 3.884433 24 C 7.202137 10.490341 10.491726 11.926850 4.847274 25 C 7.272652 10.930802 11.017730 12.345757 4.815077 26 C 6.244317 10.135469 10.314815 11.524172 3.798458 27 C 4.913274 8.755690 8.955053 10.156163 2.455314 28 H 6.340745 8.976633 8.890740 10.421529 4.400854 29 H 8.168942 11.271669 11.212327 12.706820 5.864487 30 H 8.280279 11.995037 12.078764 13.401637 5.817737 31 H 6.621320 10.680060 10.918914 12.029980 4.274701 32 H 4.225358 8.280180 8.576686 9.642582 1.886447 16 17 18 19 20 16 C 0.000000 17 H 5.827903 0.000000 18 Br 4.463800 2.949967 0.000000 19 H 7.192701 3.191570 5.628107 0.000000 20 H 8.160954 3.087525 6.016502 2.928783 0.000000 21 O 1.186313 6.286316 5.393879 7.231942 8.269838 22 C 1.508068 6.916677 4.991055 8.508294 9.465406 23 C 2.458339 8.197527 6.375052 9.553967 10.617293 24 C 3.752188 9.319049 7.221926 10.808433 11.862322 25 C 4.290969 9.345722 6.930716 11.126538 12.078788 26 C 3.829683 8.253148 5.688106 10.253285 11.089253 27 C 2.576354 6.962313 4.565868 8.920670 9.746158 28 H 2.598136 8.411099 6.915426 9.475659 10.610608 29 H 4.590185 10.287188 8.272226 11.633332 12.748233 30 H 5.366394 10.331006 7.816488 12.156838 13.106210 31 H 4.703966 8.516734 5.763638 10.704657 11.445119 32 H 2.852394 6.176769 3.606071 8.366810 9.058977 21 22 23 24 25 21 O 0.000000 22 C 2.353253 0.000000 23 C 2.743956 1.391121 0.000000 24 C 4.126554 2.411098 1.383178 0.000000 25 C 4.962884 2.786223 2.397419 1.384965 0.000000 26 C 4.762224 2.410208 2.765563 2.397005 1.385521 27 C 3.631111 1.392593 2.396466 2.769154 2.400126 28 H 2.388776 2.125386 1.072685 2.139146 3.373642 29 H 4.754931 3.381798 2.131853 1.075388 2.139094 30 H 6.013454 3.861954 3.373357 2.138738 1.075733 31 H 5.716324 3.381453 3.840722 3.372716 2.138032 32 H 4.021606 2.164681 3.387450 3.843121 3.355565 26 27 28 29 30 26 C 0.000000 27 C 1.383724 0.000000 28 H 3.838185 3.363433 0.000000 29 H 3.373881 3.844527 2.463060 0.000000 30 H 2.137022 3.374140 4.265669 2.468029 0.000000 31 H 1.075175 2.132026 4.913323 4.264872 2.462919 32 H 2.106909 1.074860 4.273647 4.918482 4.235847 31 32 31 H 0.000000 32 H 2.411453 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.525327 -0.709255 -0.214044 2 6 0 -5.092524 -1.108833 1.137523 3 8 0 -5.041138 0.515650 -0.648027 4 7 0 0.984519 -0.246471 -0.023405 5 6 0 -0.378210 -0.391873 -0.060731 6 7 0 -0.928359 -1.546697 -0.137921 7 6 0 -2.284337 -1.699394 -0.177099 8 8 0 -2.834026 -2.761572 -0.224593 9 7 0 -3.069081 -0.534537 -0.159735 10 6 0 -2.500980 0.684133 -0.078009 11 6 0 -1.167845 0.819170 -0.020766 12 1 0 -4.707330 -1.480737 -0.945645 13 1 0 -4.652358 -2.036903 1.471443 14 1 0 -6.166208 -1.250483 1.055627 15 1 0 1.291088 0.693352 0.038452 16 6 0 1.976833 -1.220208 -0.033970 17 1 0 -3.166252 1.520550 -0.071110 18 35 0 -0.406923 2.551900 0.086143 19 1 0 -4.902751 -0.328144 1.866161 20 1 0 -5.980761 0.444814 -0.745007 21 8 0 1.758734 -2.386113 -0.054871 22 6 0 3.387894 -0.688534 -0.011709 23 6 0 4.394928 -1.641334 0.103497 24 6 0 5.724999 -1.262996 0.134340 25 6 0 6.066459 0.076311 0.046079 26 6 0 5.072541 1.033984 -0.074978 27 6 0 3.741992 0.655150 -0.103588 28 1 0 4.119254 -2.675904 0.169230 29 1 0 6.490610 -2.012535 0.226478 30 1 0 7.099968 0.373880 0.068767 31 1 0 5.332071 2.074671 -0.149919 32 1 0 3.008307 1.433230 -0.211394 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5080779 0.1430438 0.1133344 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.9499941832 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= 339 RedAO= T EigKep= 4.21D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999999 -0.001269 -0.000037 0.000289 Ang= -0.15 deg. 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) = -3457.12144266 A.U. after 12 cycles NFock= 12 Conv=0.98D-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 -0.001198972 -0.001190749 0.000352602 2 6 -0.000389119 -0.000191317 -0.000050345 3 8 0.000070198 0.000494951 -0.000421500 4 7 -0.000786387 -0.001638039 0.000807155 5 6 0.000228436 -0.000465105 -0.000751190 6 7 0.000187063 0.000544199 0.000065875 7 6 -0.000773718 0.000820768 -0.000329830 8 8 -0.000162348 0.000105223 -0.000060738 9 7 0.000263773 0.000600210 0.000119395 10 6 0.001213533 -0.000287618 -0.000314046 11 6 -0.000466182 -0.000650828 0.000509036 12 1 0.000349861 0.000235129 0.000097233 13 1 0.000323322 0.000190235 0.000127882 14 1 0.000316307 -0.000320234 0.000165573 15 1 0.000300248 0.000706999 0.000587589 16 6 0.000455468 0.001141913 -0.001376975 17 1 -0.000336612 0.000106779 0.000106203 18 35 0.000117966 0.000260153 -0.000079807 19 1 0.000088223 0.000045110 0.000127013 20 1 0.000122571 -0.000011828 -0.000017709 21 8 -0.000152138 -0.000287588 0.000405955 22 6 -0.000085793 -0.000088229 0.000197133 23 6 0.000498082 0.000896813 0.000168257 24 6 0.000780222 -0.000091705 -0.000311977 25 6 -0.000769028 -0.000274647 0.000288596 26 6 -0.000215443 0.001260528 -0.000018326 27 6 0.000048515 -0.001069826 -0.000177445 28 1 -0.000329857 -0.000114184 0.000081498 29 1 -0.000270189 -0.000317107 0.000120042 30 1 0.000206047 -0.000315933 -0.000066082 31 1 0.000267419 -0.000159357 -0.000084076 32 1 0.000098530 0.000065284 -0.000266992 ------------------------------------------------------------------- Cartesian Forces: Max 0.001638039 RMS 0.000506810 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001098291 RMS 0.000327623 Search for a local minimum. Step number 12 out of a maximum of 170 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 9 10 11 12 DE= -1.30D-05 DEPred=-1.43D-05 R= 9.09D-01 TightC=F SS= 1.41D+00 RLast= 8.64D-02 DXNew= 7.0190D-01 2.5909D-01 Trust test= 9.09D-01 RLast= 8.64D-02 DXMaxT set to 4.17D-01 ITU= 1 1 1 1 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00055 0.00283 0.01331 0.01480 0.01520 Eigenvalues --- 0.01575 0.01593 0.01688 0.01710 0.01828 Eigenvalues --- 0.01847 0.01939 0.02060 0.02081 0.02113 Eigenvalues --- 0.02114 0.02133 0.02137 0.02513 0.02570 Eigenvalues --- 0.02576 0.02617 0.02824 0.03622 0.05086 Eigenvalues --- 0.05592 0.05708 0.06847 0.08280 0.08741 Eigenvalues --- 0.15016 0.15767 0.15960 0.16000 0.16000 Eigenvalues --- 0.16000 0.16011 0.16043 0.16104 0.16312 Eigenvalues --- 0.17115 0.18846 0.19942 0.21674 0.22000 Eigenvalues --- 0.22079 0.23420 0.23657 0.23840 0.24354 Eigenvalues --- 0.24951 0.25009 0.25062 0.25733 0.27143 Eigenvalues --- 0.27789 0.29353 0.31645 0.33659 0.33728 Eigenvalues --- 0.33821 0.34069 0.34475 0.35124 0.35429 Eigenvalues --- 0.35737 0.37969 0.38372 0.38405 0.38440 Eigenvalues --- 0.38606 0.38722 0.39820 0.41265 0.43018 Eigenvalues --- 0.44015 0.45217 0.47625 0.49032 0.50765 Eigenvalues --- 0.51522 0.53017 0.55969 0.56129 0.57855 Eigenvalues --- 0.63052 0.65926 0.76606 0.88524 0.93784 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 12 11 10 9 8 7 6 5 RFO step: Lambda=-1.09870165D-04. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. RFO-DIIS uses 3 points instead of 8 DidBck=F Rises=F RFO-DIIS coefs: 3.00000 -1.93230 -0.06770 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.10797519 RMS(Int)= 0.00369817 Iteration 2 RMS(Cart)= 0.00629628 RMS(Int)= 0.00003661 Iteration 3 RMS(Cart)= 0.00001829 RMS(Int)= 0.00003567 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00003567 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87096 0.00054 -0.00109 -0.00043 -0.00152 2.86944 R2 2.64210 -0.00050 0.00071 0.00054 0.00125 2.64335 R3 2.77354 0.00051 0.00192 0.00162 0.00355 2.77709 R4 2.03841 0.00003 0.00109 0.00025 0.00134 2.03975 R5 2.04105 0.00035 -0.00106 -0.00119 -0.00224 2.03880 R6 2.05239 0.00038 0.00004 -0.00029 -0.00024 2.05215 R7 2.04964 0.00009 -0.00008 -0.00014 -0.00022 2.04942 R8 1.79008 0.00005 0.00067 -0.00002 0.00065 1.79072 R9 2.59076 -0.00024 0.00110 0.00031 0.00142 2.59218 R10 1.87176 0.00004 0.00035 0.00059 0.00095 1.87271 R11 2.62731 0.00106 -0.00172 -0.00096 -0.00268 2.62463 R12 2.42168 -0.00048 -0.00003 -0.00012 -0.00014 2.42154 R13 2.73309 0.00012 -0.00057 -0.00056 -0.00111 2.73198 R14 2.57969 -0.00046 0.00071 0.00045 0.00114 2.58082 R15 2.26187 -0.00013 0.00070 0.00021 0.00090 2.26277 R16 2.65439 0.00045 -0.00056 0.00016 -0.00043 2.65396 R17 2.54558 -0.00049 0.00057 0.00047 0.00104 2.54662 R18 2.53446 -0.00012 0.00044 0.00005 0.00051 2.53497 R19 2.01965 0.00010 -0.00055 -0.00024 -0.00079 2.01886 R20 3.58191 -0.00011 0.00242 0.00090 0.00331 3.58522 R21 2.24181 -0.00035 0.00066 0.00014 0.00080 2.24261 R22 2.84983 -0.00031 0.00052 -0.00043 0.00009 2.84992 R23 2.62884 0.00038 -0.00223 -0.00153 -0.00376 2.62507 R24 2.63162 -0.00022 0.00173 0.00066 0.00239 2.63401 R25 2.61383 -0.00040 0.00238 0.00147 0.00385 2.61767 R26 2.02708 -0.00034 0.00035 0.00037 0.00072 2.02780 R27 2.61720 0.00046 -0.00232 -0.00129 -0.00361 2.61359 R28 2.03219 -0.00042 0.00034 0.00037 0.00071 2.03290 R29 2.61825 -0.00058 0.00244 0.00177 0.00421 2.62246 R30 2.03284 -0.00038 0.00030 0.00036 0.00065 2.03350 R31 2.61486 0.00047 -0.00247 -0.00138 -0.00385 2.61101 R32 2.03179 -0.00027 0.00016 0.00028 0.00044 2.03223 R33 2.03119 -0.00015 0.00029 0.00050 0.00079 2.03198 A1 1.94854 0.00016 -0.00287 -0.00303 -0.00590 1.94264 A2 1.94853 0.00010 0.00053 0.00130 0.00181 1.95034 A3 1.93080 -0.00006 0.00267 0.00183 0.00448 1.93528 A4 1.84756 -0.00014 -0.00157 0.00007 -0.00150 1.84606 A5 1.93245 -0.00001 -0.00140 -0.00170 -0.00309 1.92936 A6 1.85214 -0.00006 0.00273 0.00167 0.00438 1.85652 A7 1.92718 0.00014 0.00226 0.00165 0.00392 1.93110 A8 1.91378 0.00038 -0.00345 -0.00230 -0.00576 1.90802 A9 1.92092 0.00005 -0.00228 -0.00094 -0.00323 1.91769 A10 1.89033 -0.00022 0.00071 0.00039 0.00111 1.89144 A11 1.91716 -0.00018 0.00221 0.00122 0.00343 1.92059 A12 1.89389 -0.00019 0.00055 -0.00003 0.00049 1.89438 A13 1.90945 -0.00020 -0.00073 0.00048 -0.00024 1.90920 A14 1.99323 0.00106 -0.00210 -0.00048 -0.00269 1.99054 A15 2.25875 -0.00090 0.00224 0.00139 0.00352 2.26227 A16 2.03098 -0.00016 -0.00037 -0.00115 -0.00162 2.02935 A17 2.12226 -0.00092 0.00173 0.00060 0.00235 2.12461 A18 2.04107 0.00042 -0.00086 -0.00002 -0.00085 2.04022 A19 2.11982 0.00050 -0.00090 -0.00058 -0.00154 2.11827 A20 2.12817 -0.00041 0.00058 0.00059 0.00103 2.12920 A21 2.16106 -0.00022 -0.00074 -0.00151 -0.00220 2.15886 A22 2.05085 0.00023 0.00034 0.00009 0.00031 2.05116 A23 2.07128 -0.00001 0.00041 0.00143 0.00189 2.07317 A24 2.04333 0.00110 -0.00429 -0.00047 -0.00484 2.03849 A25 2.12749 -0.00099 0.00474 0.00110 0.00575 2.13324 A26 2.11225 -0.00010 -0.00020 -0.00044 -0.00088 2.11138 A27 2.10933 0.00006 -0.00030 0.00012 -0.00025 2.10909 A28 2.03297 0.00032 -0.00167 -0.00080 -0.00245 2.03052 A29 2.14084 -0.00038 0.00200 0.00070 0.00272 2.14357 A30 2.04565 -0.00027 0.00099 0.00058 0.00153 2.04718 A31 2.15057 -0.00036 0.00088 0.00051 0.00141 2.15198 A32 2.08689 0.00063 -0.00185 -0.00107 -0.00291 2.08398 A33 2.16186 -0.00001 0.00100 0.00145 0.00245 2.16431 A34 2.00512 -0.00060 0.00027 -0.00238 -0.00212 2.00300 A35 2.11621 0.00061 -0.00129 0.00094 -0.00036 2.11585 A36 2.02316 0.00058 -0.00040 0.00180 0.00139 2.02455 A37 2.18599 -0.00084 0.00061 -0.00235 -0.00175 2.18424 A38 2.07403 0.00026 -0.00022 0.00053 0.00031 2.07433 A39 2.10669 -0.00023 0.00050 -0.00021 0.00029 2.10698 A40 2.07101 0.00002 0.00097 0.00090 0.00187 2.07288 A41 2.10548 0.00022 -0.00147 -0.00069 -0.00216 2.10332 A42 2.09459 0.00006 -0.00042 -0.00012 -0.00054 2.09406 A43 2.08963 0.00009 -0.00117 -0.00078 -0.00194 2.08769 A44 2.09896 -0.00015 0.00159 0.00089 0.00248 2.10144 A45 2.09107 0.00011 -0.00016 0.00000 -0.00016 2.09091 A46 2.09789 -0.00006 0.00108 0.00058 0.00166 2.09955 A47 2.09422 -0.00005 -0.00092 -0.00059 -0.00151 2.09271 A48 2.09713 0.00000 0.00034 -0.00007 0.00028 2.09741 A49 2.09666 0.00018 -0.00158 -0.00087 -0.00245 2.09421 A50 2.08940 -0.00018 0.00123 0.00093 0.00216 2.09155 A51 2.10284 -0.00020 -0.00005 -0.00016 -0.00024 2.10261 A52 2.13119 -0.00004 -0.00089 -0.00243 -0.00336 2.12784 A53 2.04907 0.00023 0.00086 0.00251 0.00332 2.05239 D1 -3.10268 0.00007 0.00205 -0.00119 0.00086 -3.10182 D2 1.09893 0.00000 0.00193 -0.00124 0.00069 1.09962 D3 -0.98317 -0.00003 0.00479 0.00080 0.00558 -0.97759 D4 -1.03838 0.00006 -0.00149 -0.00225 -0.00374 -1.04213 D5 -3.11996 -0.00000 -0.00161 -0.00230 -0.00391 -3.12387 D6 1.08112 -0.00003 0.00125 -0.00026 0.00098 1.08211 D7 1.02003 0.00001 0.00398 0.00186 0.00584 1.02588 D8 -1.06154 -0.00006 0.00386 0.00180 0.00567 -1.05587 D9 3.13954 -0.00009 0.00672 0.00384 0.01057 -3.13308 D10 -1.06932 0.00004 0.00019 0.00131 0.00150 -1.06782 D11 3.09011 -0.00009 0.00222 0.00143 0.00364 3.09375 D12 1.09022 0.00007 0.00055 0.00026 0.00082 1.09104 D13 1.36836 0.00035 -0.03969 -0.01228 -0.05196 1.31640 D14 -1.75758 0.00026 -0.05473 -0.02585 -0.08058 -1.83816 D15 -2.79107 0.00051 -0.04391 -0.01519 -0.05908 -2.85015 D16 0.36618 0.00043 -0.05894 -0.02876 -0.08770 0.27848 D17 -0.73667 0.00041 -0.04496 -0.01631 -0.06127 -0.79794 D18 2.42057 0.00032 -0.05999 -0.02988 -0.08988 2.33069 D19 -3.13933 0.00015 0.00366 0.00473 0.00838 -3.13094 D20 0.01141 0.00005 0.00831 0.00464 0.01295 0.02436 D21 -0.02179 -0.00008 -0.01018 -0.00826 -0.01843 -0.04022 D22 3.12895 -0.00017 -0.00553 -0.00835 -0.01387 3.11508 D23 -0.02538 -0.00046 -0.01547 -0.01206 -0.02753 -0.05291 D24 3.11989 -0.00013 -0.00796 -0.01399 -0.02195 3.09794 D25 3.09173 -0.00067 -0.02957 -0.02527 -0.05485 3.03688 D26 -0.04619 -0.00035 -0.02207 -0.02720 -0.04927 -0.09546 D27 -3.14023 -0.00007 0.00416 0.00076 0.00492 -3.13531 D28 -0.00819 0.00003 -0.00070 0.00086 0.00016 -0.00804 D29 3.12395 0.00006 0.00502 0.00673 0.01174 3.13569 D30 -0.00474 0.00006 0.00321 0.00528 0.00850 0.00375 D31 -0.00851 -0.00002 0.00965 0.00663 0.01626 0.00775 D32 -3.13720 -0.00002 0.00784 0.00518 0.01302 -3.12419 D33 -3.11701 -0.00009 -0.01561 -0.01288 -0.02846 3.13771 D34 0.02424 -0.00006 -0.01378 -0.01239 -0.02615 -0.00191 D35 3.13250 0.00001 0.00511 0.00362 0.00883 3.14133 D36 -0.02460 0.00009 0.02008 0.01708 0.03713 0.01253 D37 -0.00942 0.00004 0.00685 0.00409 0.01102 0.00160 D38 3.11666 0.00011 0.02181 0.01755 0.03932 -3.12720 D39 3.13393 0.00000 0.00408 0.00414 0.00830 -3.14095 D40 -0.01722 0.00002 0.00647 0.00580 0.01233 -0.00489 D41 0.00861 -0.00010 -0.01149 -0.00997 -0.02146 -0.01286 D42 3.14064 -0.00008 -0.00910 -0.00830 -0.01743 3.12321 D43 0.00786 0.00006 -0.00321 -0.00181 -0.00500 0.00286 D44 3.13704 0.00005 -0.00144 -0.00041 -0.00185 3.13519 D45 -3.12357 0.00003 -0.00572 -0.00357 -0.00927 -3.13284 D46 0.00561 0.00002 -0.00395 -0.00217 -0.00612 -0.00051 D47 3.04135 -0.00062 -0.05875 -0.05468 -0.11343 2.92792 D48 -0.10658 -0.00066 -0.06238 -0.05773 -0.12011 -0.22669 D49 -0.09667 -0.00030 -0.05146 -0.05656 -0.10803 -0.20470 D50 3.03858 -0.00035 -0.05509 -0.05961 -0.11471 2.92388 D51 -3.14100 -0.00002 0.00014 0.00033 0.00048 -3.14052 D52 -0.00074 -0.00000 -0.00051 -0.00011 -0.00062 -0.00136 D53 0.00650 0.00002 0.00352 0.00319 0.00672 0.01322 D54 -3.13642 0.00004 0.00287 0.00275 0.00562 -3.13080 D55 -3.13972 0.00004 0.00135 0.00093 0.00227 -3.13745 D56 -0.01237 -0.00007 -0.00690 -0.00605 -0.01293 -0.02530 D57 -0.00464 -0.00001 -0.00238 -0.00220 -0.00458 -0.00922 D58 3.12271 -0.00012 -0.01063 -0.00918 -0.01978 3.10293 D59 -0.00341 -0.00002 -0.00192 -0.00176 -0.00369 -0.00710 D60 3.13873 -0.00000 -0.00159 -0.00144 -0.00303 3.13570 D61 3.13954 -0.00004 -0.00126 -0.00131 -0.00257 3.13696 D62 -0.00151 -0.00002 -0.00093 -0.00099 -0.00192 -0.00343 D63 -0.00163 -0.00000 -0.00087 -0.00069 -0.00157 -0.00320 D64 -3.14052 0.00001 0.00060 0.00050 0.00110 -3.13942 D65 3.13941 -0.00002 -0.00121 -0.00103 -0.00224 3.13718 D66 0.00052 -0.00001 0.00027 0.00017 0.00044 0.00096 D67 0.00348 0.00002 0.00200 0.00168 0.00369 0.00717 D68 -3.13507 0.00002 0.00363 0.00300 0.00663 -3.12844 D69 -3.14081 0.00001 0.00054 0.00049 0.00103 -3.13978 D70 0.00382 0.00001 0.00216 0.00181 0.00397 0.00779 D71 -0.00031 -0.00001 -0.00036 -0.00022 -0.00058 -0.00089 D72 -3.12831 0.00009 0.00752 0.00648 0.01403 -3.11428 D73 3.13826 -0.00002 -0.00198 -0.00153 -0.00352 3.13473 D74 0.01025 0.00009 0.00590 0.00517 0.01109 0.02134 Item Value Threshold Converged? Maximum Force 0.001098 0.000450 NO RMS Force 0.000328 0.000300 NO Maximum Displacement 0.480996 0.001800 NO RMS Displacement 0.109974 0.001200 NO Predicted change in Energy=-6.008666D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.602507 -6.557510 1.323289 2 6 0 7.800260 -6.806206 2.222848 3 8 0 5.561972 -7.449091 1.604371 4 7 0 4.651485 -1.414305 1.952715 5 6 0 5.160673 -2.677011 1.785619 6 7 0 6.248722 -2.885148 1.141514 7 6 0 6.756709 -4.140627 0.965745 8 8 0 7.767694 -4.370276 0.366621 9 7 0 6.041823 -5.213755 1.522267 10 6 0 4.890215 -5.007386 2.191046 11 6 0 4.403125 -3.768395 2.355752 12 1 0 6.883343 -6.618986 0.282887 13 1 0 8.580594 -6.088075 2.024442 14 1 0 8.193194 -7.800297 2.031339 15 1 0 3.810909 -1.383883 2.476716 16 6 0 5.166957 -0.190473 1.545840 17 1 0 4.398803 -5.877637 2.568557 18 35 0 2.772806 -3.525744 3.295230 19 1 0 7.498381 -6.749195 3.262930 20 1 0 5.857514 -8.336151 1.450281 21 8 0 6.213993 -0.058734 1.002973 22 6 0 4.292530 0.998198 1.857047 23 6 0 4.884872 2.245734 1.707164 24 6 0 4.171181 3.403915 1.968081 25 6 0 2.851534 3.325741 2.374599 26 6 0 2.245748 2.085224 2.515968 27 6 0 2.959901 0.930442 2.259979 28 1 0 5.907867 2.296597 1.387211 29 1 0 4.649162 4.360569 1.851411 30 1 0 2.291767 4.222266 2.576718 31 1 0 1.216243 2.021303 2.820168 32 1 0 2.442515 -0.007103 2.357670 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518442 0.000000 3 O 1.398798 2.409512 0.000000 4 N 5.536716 6.249828 6.113016 0.000000 5 C 4.165442 4.920248 4.792351 1.371721 0.000000 6 N 3.693839 4.353303 4.638473 2.317885 1.281423 7 C 2.448048 3.126439 3.575077 3.583142 2.315534 8 O 2.656476 3.062743 3.984512 4.578669 3.417201 9 N 1.469570 2.473624 2.287733 4.068678 2.698305 10 C 2.467354 3.421276 2.599494 3.608881 2.380791 11 C 3.698976 4.559220 3.931287 2.401220 1.445700 12 H 1.079391 2.153888 2.044850 5.904084 4.556858 13 H 2.150537 1.078888 3.337799 6.106322 4.836141 14 H 2.139191 1.085951 2.688676 7.302792 5.958576 15 H 5.990812 6.736539 6.372907 0.990995 1.992902 16 C 6.530658 7.152661 7.269594 1.388893 2.498081 17 H 2.620922 3.542833 2.179928 4.512697 3.381928 18 Br 5.267520 6.098092 5.102068 3.128891 2.949776 19 H 2.145119 1.084505 2.643927 6.187287 4.922398 20 H 1.932539 2.590724 0.947611 7.044068 5.711734 21 O 6.518255 7.037949 7.443399 2.276184 2.928719 22 C 7.918940 8.564269 8.545876 2.440937 3.777027 23 C 8.977457 9.523814 9.718984 3.675684 4.931089 24 C 10.274098 10.838897 10.947799 4.842125 6.163607 25 C 10.623263 11.276935 11.137177 5.087814 6.458487 26 C 9.751958 10.487900 10.135655 4.283868 5.631081 27 C 8.379462 9.126126 8.798702 2.907526 4.252309 28 H 8.881544 9.334906 9.754241 3.958419 5.045177 29 H 11.104005 11.608801 11.847460 5.775763 7.056451 30 H 11.677205 12.332717 12.159780 6.142360 7.513753 31 H 10.239557 11.028644 10.490561 4.935258 6.221171 32 H 7.828366 8.657448 8.104422 2.650237 3.852796 6 7 8 9 10 6 N 0.000000 7 C 1.365713 0.000000 8 O 2.261269 1.197405 0.000000 9 N 2.368584 1.404416 2.241786 0.000000 10 C 2.729643 2.395086 3.466168 1.347611 0.000000 11 C 2.379228 2.758629 3.954646 2.338609 1.341448 12 H 3.883494 2.573829 2.417806 2.053994 3.195448 13 H 4.059055 2.870531 2.521906 2.731662 3.848967 14 H 5.360172 4.073348 3.836324 3.402610 4.328457 15 H 3.159034 4.308179 5.387688 4.533858 3.791606 16 C 2.931718 4.297388 5.062129 5.098952 4.867805 17 H 3.796530 3.338552 4.297684 2.057906 1.068334 18 Br 4.138943 4.655756 5.851400 4.084023 2.810320 19 H 4.581802 3.554119 3.757710 2.740263 3.314418 20 H 5.473738 4.318072 4.533351 3.128659 3.544726 21 O 2.830021 4.117982 4.626913 5.183971 5.258618 22 C 4.406705 5.768372 6.566479 6.462233 6.044486 23 C 5.339101 6.696199 7.340252 7.550940 7.269244 24 C 6.674706 8.038018 8.714219 8.829625 8.444921 25 C 7.185856 8.542945 9.350363 9.155731 8.580845 26 C 6.528210 7.843033 8.762708 8.286900 7.576535 27 C 5.160042 6.465797 7.402519 6.913293 6.244090 28 H 5.198753 6.506613 6.996267 7.512761 7.418216 29 H 7.454057 8.803209 9.389222 9.680678 9.377208 30 H 8.260305 9.616076 10.426028 10.208490 9.596204 31 H 7.226132 8.491468 9.475953 8.792999 7.955899 32 H 4.924367 6.134798 7.166525 6.384524 5.569724 11 12 13 14 15 11 C 0.000000 12 H 4.309770 0.000000 13 H 4.789773 2.489085 0.000000 14 H 5.543113 2.483605 1.755514 0.000000 15 H 2.459928 6.454381 6.714452 7.782876 0.000000 16 C 3.747122 6.772504 6.831083 8.203856 2.032147 17 H 2.119954 3.456418 4.222289 4.287497 4.532976 18 Br 1.897219 5.961448 6.473858 7.017822 2.516981 19 H 4.391896 3.045633 1.772601 1.761930 6.557603 20 H 4.878476 2.315985 3.577523 2.465800 7.319576 21 O 4.344058 6.633511 6.557222 8.056462 3.114924 22 C 4.793886 8.198279 8.284369 9.625958 2.508038 23 C 6.068153 9.198136 9.122028 10.581721 3.862606 24 C 7.186523 10.519232 10.466326 11.904409 4.828200 25 C 7.261856 10.932901 11.025637 12.346655 4.807430 26 C 6.240576 10.112230 10.352520 11.546883 3.806044 27 C 4.916415 8.734766 8.994845 10.181622 2.475336 28 H 6.323483 9.036521 8.823393 10.372314 4.373807 29 H 8.148309 11.313817 11.165136 12.668038 5.838870 30 H 8.267848 11.994872 12.089561 13.403965 5.809191 31 H 6.625141 10.639944 10.983117 12.073273 4.294827 32 H 4.241617 8.230593 8.646692 9.690752 1.944787 16 17 18 19 20 16 C 0.000000 17 H 5.829223 0.000000 18 Br 4.462774 2.950138 0.000000 19 H 7.169433 3.293805 5.720379 0.000000 20 H 8.175456 3.069638 6.004938 2.914887 0.000000 21 O 1.186737 6.293298 5.395959 7.177696 8.297156 22 C 1.508114 6.913366 4.984374 8.501534 9.473368 23 C 2.457783 8.183361 6.347656 9.495239 10.629596 24 C 3.753595 9.303740 7.192840 10.762552 11.871857 25 C 4.290895 9.334550 6.913509 11.130438 12.078494 26 C 3.827976 8.248973 5.689288 10.305098 11.080866 27 C 2.576342 6.965313 4.578684 8.976666 9.742768 28 H 2.599928 8.395889 6.882499 9.374135 10.633054 29 H 4.590584 10.266345 8.234031 11.555833 12.760397 30 H 5.366720 10.317349 7.796109 12.163579 13.103330 31 H 4.703615 8.519697 5.780857 10.797357 11.432185 32 H 2.848732 6.191502 3.656357 8.475676 9.047575 21 22 23 24 25 21 O 0.000000 22 C 2.353416 0.000000 23 C 2.751911 1.389129 0.000000 24 C 4.134543 2.411333 1.385213 0.000000 25 C 4.964087 2.785999 2.397154 1.383053 0.000000 26 C 4.757381 2.409381 2.764941 2.397168 1.387748 27 C 3.625968 1.393860 2.396061 2.769561 2.400487 28 H 2.406020 2.125065 1.073068 2.140009 3.372720 29 H 4.764323 3.381236 2.132814 1.075763 2.139173 30 H 6.015603 3.862071 3.374462 2.138301 1.076080 31 H 5.710188 3.381994 3.840310 3.371842 2.138753 32 H 4.007732 2.164211 3.385785 3.843840 3.357891 26 27 28 29 30 26 C 0.000000 27 C 1.381689 0.000000 28 H 3.837953 3.364313 0.000000 29 H 3.375682 3.845296 2.461666 0.000000 30 H 2.138400 3.373845 4.266064 2.470326 0.000000 31 H 1.075409 2.131697 4.913296 4.265628 2.461758 32 H 2.107512 1.075278 4.272878 4.919568 4.237720 31 32 31 H 0.000000 32 H 2.414970 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.531738 -0.683274 -0.225899 2 6 0 -5.092960 -1.208150 1.083757 3 8 0 -5.049624 0.579828 -0.530864 4 7 0 0.984484 -0.254696 -0.018941 5 6 0 -0.379583 -0.391036 -0.067433 6 7 0 -0.938747 -1.539000 -0.174933 7 6 0 -2.295966 -1.680390 -0.230942 8 8 0 -2.850041 -2.736771 -0.335055 9 7 0 -3.073416 -0.512718 -0.163893 10 6 0 -2.495422 0.700462 -0.063032 11 6 0 -1.160764 0.824041 -0.009185 12 1 0 -4.723076 -1.375712 -1.031507 13 1 0 -4.656927 -2.164179 1.328469 14 1 0 -6.167147 -1.336141 0.988736 15 1 0 1.293648 0.682200 0.074416 16 6 0 1.972918 -1.230380 -0.026840 17 1 0 -3.156188 1.539467 -0.034804 18 35 0 -0.389927 2.552626 0.122112 19 1 0 -4.899463 -0.496859 1.879229 20 1 0 -5.990589 0.519603 -0.625330 21 8 0 1.754161 -2.396779 -0.028367 22 6 0 3.384531 -0.699604 -0.020882 23 6 0 4.383712 -1.629723 0.236406 24 6 0 5.715000 -1.248164 0.266390 25 6 0 6.061704 0.069754 0.030329 26 6 0 5.072915 1.005253 -0.239825 27 6 0 3.744943 0.624561 -0.264879 28 1 0 4.105465 -2.650736 0.414136 29 1 0 6.473881 -1.982179 0.472757 30 1 0 7.094465 0.371330 0.050404 31 1 0 5.340013 2.028367 -0.435785 32 1 0 3.015401 1.377497 -0.503794 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5076019 0.1430187 0.1133481 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.5216694518 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= 339 RedAO= T EigKep= 4.24D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999993 -0.003500 -0.000079 0.001115 Ang= -0.42 deg. 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) = -3457.12151934 A.U. after 14 cycles NFock= 14 Conv=0.29D-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 -0.002669263 -0.001658050 0.001277724 2 6 -0.000533884 -0.000544463 -0.000042727 3 8 0.000138371 0.000256766 -0.001129584 4 7 -0.001304257 -0.003172342 0.001437051 5 6 0.000026836 -0.000602561 -0.001019859 6 7 0.000339932 0.000963183 -0.000018968 7 6 -0.000972622 0.001767173 -0.001135628 8 8 -0.000945203 -0.000101458 0.000591659 9 7 0.000962846 0.000746512 -0.000582090 10 6 0.002284258 -0.000484018 -0.000334823 11 6 -0.001193882 -0.001221977 0.001168521 12 1 0.000730756 0.000629086 0.000291372 13 1 0.000645494 0.000417046 0.000176280 14 1 0.000594764 -0.000440879 0.000313556 15 1 0.000063376 0.001454710 0.000912582 16 6 0.001043258 0.002462580 -0.002591086 17 1 -0.000684921 0.000274069 0.000243302 18 35 0.000735022 0.000358660 -0.000427535 19 1 0.000231456 0.000124935 0.000103894 20 1 0.000032341 0.000404248 0.000018215 21 8 -0.000566484 -0.000714191 0.000838825 22 6 -0.000416899 -0.000680032 0.000399448 23 6 0.000820829 0.002541256 0.000549998 24 6 0.002404773 -0.000763055 -0.000762873 25 6 -0.002350747 -0.001150207 0.000647315 26 6 -0.000444680 0.003520951 0.000137270 27 6 0.000567333 -0.002569338 -0.000765399 28 1 -0.000522150 -0.000242883 0.000050399 29 1 -0.000588532 -0.000478982 0.000162739 30 1 0.000443538 -0.000467358 -0.000137300 31 1 0.000445462 -0.000360626 -0.000125762 32 1 0.000682881 -0.000268757 -0.000246519 ------------------------------------------------------------------- Cartesian Forces: Max 0.003520951 RMS 0.001095593 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002726803 RMS 0.000723001 Search for a local minimum. Step number 13 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 9 10 11 12 13 DE= -7.67D-05 DEPred=-6.01D-05 R= 1.28D+00 TightC=F SS= 1.41D+00 RLast= 3.16D-01 DXNew= 7.0190D-01 9.4896D-01 Trust test= 1.28D+00 RLast= 3.16D-01 DXMaxT set to 7.02D-01 ITU= 1 1 1 1 1 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00102 0.00283 0.01331 0.01477 0.01522 Eigenvalues --- 0.01582 0.01604 0.01689 0.01702 0.01828 Eigenvalues --- 0.01833 0.01928 0.02064 0.02076 0.02112 Eigenvalues --- 0.02115 0.02132 0.02136 0.02509 0.02564 Eigenvalues --- 0.02579 0.02618 0.02759 0.03626 0.05072 Eigenvalues --- 0.05584 0.05750 0.06880 0.08275 0.08756 Eigenvalues --- 0.15021 0.15761 0.15959 0.15999 0.16000 Eigenvalues --- 0.16000 0.16013 0.16058 0.16095 0.16378 Eigenvalues --- 0.17203 0.18751 0.19888 0.21629 0.22000 Eigenvalues --- 0.22077 0.23418 0.23666 0.23844 0.24353 Eigenvalues --- 0.24943 0.25016 0.25084 0.25681 0.27048 Eigenvalues --- 0.27745 0.29328 0.31545 0.33708 0.33744 Eigenvalues --- 0.33810 0.34069 0.34464 0.35123 0.35459 Eigenvalues --- 0.35731 0.38370 0.38399 0.38427 0.38450 Eigenvalues --- 0.38604 0.38711 0.40509 0.41368 0.42983 Eigenvalues --- 0.44090 0.45511 0.48159 0.48852 0.50795 Eigenvalues --- 0.51503 0.54657 0.55997 0.56121 0.57897 Eigenvalues --- 0.65896 0.71151 0.83861 0.88856 1.35398 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 13 12 11 10 9 8 7 6 5 RFO step: Lambda=-8.64119851D-05. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. RFO-DIIS uses 4 points instead of 9 DidBck=F Rises=F RFO-DIIS coefs: 1.14872 -0.58361 -0.63740 1.07228 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.04232280 RMS(Int)= 0.00061955 Iteration 2 RMS(Cart)= 0.00096107 RMS(Int)= 0.00003619 Iteration 3 RMS(Cart)= 0.00000029 RMS(Int)= 0.00003619 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86944 0.00114 0.00042 0.00042 0.00084 2.87028 R2 2.64335 -0.00077 -0.00049 -0.00023 -0.00072 2.64262 R3 2.77709 0.00029 -0.00089 -0.00059 -0.00148 2.77560 R4 2.03975 -0.00013 -0.00075 0.00018 -0.00056 2.03919 R5 2.03880 0.00071 0.00113 0.00049 0.00162 2.04042 R6 2.05215 0.00056 0.00017 0.00030 0.00047 2.05262 R7 2.04942 0.00004 0.00018 0.00011 0.00029 2.04971 R8 1.79072 -0.00037 -0.00003 0.00014 0.00012 1.79084 R9 2.59218 -0.00086 -0.00043 0.00003 -0.00040 2.59178 R10 1.87271 0.00047 -0.00024 0.00038 0.00014 1.87285 R11 2.62463 0.00183 0.00175 0.00051 0.00226 2.62689 R12 2.42154 -0.00076 -0.00033 0.00015 -0.00018 2.42136 R13 2.73198 0.00017 0.00086 0.00003 0.00087 2.73285 R14 2.58082 -0.00097 0.00001 -0.00028 -0.00026 2.58056 R15 2.26277 -0.00107 -0.00035 0.00003 -0.00032 2.26245 R16 2.65396 0.00047 0.00035 0.00024 0.00061 2.65457 R17 2.54662 -0.00081 -0.00014 -0.00028 -0.00042 2.54619 R18 2.53497 -0.00036 -0.00047 0.00009 -0.00039 2.53458 R19 2.01886 0.00018 0.00049 0.00008 0.00057 2.01943 R20 3.58522 -0.00080 -0.00136 0.00039 -0.00096 3.58426 R21 2.24261 -0.00096 -0.00050 0.00002 -0.00047 2.24214 R22 2.84992 -0.00135 0.00010 -0.00122 -0.00111 2.84881 R23 2.62507 0.00108 0.00079 0.00057 0.00136 2.62644 R24 2.63401 -0.00106 -0.00054 -0.00081 -0.00136 2.63265 R25 2.61767 -0.00127 -0.00079 -0.00061 -0.00139 2.61628 R26 2.02780 -0.00052 -0.00029 -0.00012 -0.00042 2.02739 R27 2.61359 0.00161 0.00071 0.00086 0.00158 2.61517 R28 2.03290 -0.00071 -0.00033 -0.00029 -0.00063 2.03227 R29 2.62246 -0.00154 -0.00089 -0.00076 -0.00166 2.62081 R30 2.03350 -0.00065 -0.00029 -0.00030 -0.00059 2.03290 R31 2.61101 0.00155 0.00087 0.00080 0.00166 2.61267 R32 2.03223 -0.00044 -0.00017 -0.00024 -0.00042 2.03181 R33 2.03198 -0.00012 -0.00022 -0.00003 -0.00026 2.03172 A1 1.94264 0.00045 0.00207 0.00081 0.00288 1.94552 A2 1.95034 0.00013 -0.00105 -0.00043 -0.00146 1.94889 A3 1.93528 -0.00019 -0.00179 -0.00005 -0.00182 1.93346 A4 1.84606 -0.00013 0.00107 -0.00145 -0.00038 1.84568 A5 1.92936 -0.00006 0.00151 0.00105 0.00255 1.93191 A6 1.85652 -0.00022 -0.00190 -0.00002 -0.00189 1.85463 A7 1.93110 0.00025 -0.00185 0.00026 -0.00160 1.92950 A8 1.90802 0.00078 0.00280 0.00032 0.00314 1.91116 A9 1.91769 0.00009 0.00225 -0.00014 0.00213 1.91982 A10 1.89144 -0.00042 -0.00075 -0.00004 -0.00080 1.89064 A11 1.92059 -0.00035 -0.00198 -0.00035 -0.00234 1.91824 A12 1.89438 -0.00036 -0.00050 -0.00004 -0.00051 1.89387 A13 1.90920 -0.00029 0.00060 -0.00075 -0.00016 1.90905 A14 1.99054 0.00224 0.00183 0.00216 0.00408 1.99462 A15 2.26227 -0.00189 -0.00125 -0.00110 -0.00226 2.26002 A16 2.02935 -0.00036 -0.00055 -0.00103 -0.00149 2.02786 A17 2.12461 -0.00204 -0.00091 -0.00104 -0.00197 2.12264 A18 2.04022 0.00114 0.00018 0.00056 0.00072 2.04094 A19 2.11827 0.00091 0.00075 0.00042 0.00124 2.11951 A20 2.12920 -0.00082 -0.00026 -0.00035 -0.00048 2.12873 A21 2.15886 0.00011 0.00004 0.00054 0.00053 2.15939 A22 2.05116 0.00049 -0.00060 0.00009 -0.00040 2.05075 A23 2.07317 -0.00060 0.00056 -0.00063 -0.00013 2.07304 A24 2.03849 0.00175 0.00409 0.00063 0.00479 2.04328 A25 2.13324 -0.00162 -0.00454 -0.00069 -0.00515 2.12809 A26 2.11138 -0.00013 0.00015 0.00005 0.00043 2.11180 A27 2.10909 0.00005 0.00044 0.00010 0.00061 2.10969 A28 2.03052 0.00073 0.00068 0.00056 0.00121 2.03173 A29 2.14357 -0.00078 -0.00114 -0.00066 -0.00183 2.14174 A30 2.04718 -0.00050 -0.00104 -0.00034 -0.00134 2.04584 A31 2.15198 -0.00058 -0.00071 -0.00036 -0.00109 2.15090 A32 2.08398 0.00108 0.00173 0.00070 0.00241 2.08639 A33 2.16431 0.00030 -0.00031 0.00092 0.00061 2.16491 A34 2.00300 -0.00208 -0.00039 -0.00168 -0.00207 2.00092 A35 2.11585 0.00178 0.00069 0.00077 0.00145 2.11730 A36 2.02455 0.00188 -0.00004 0.00149 0.00145 2.02600 A37 2.18424 -0.00273 -0.00009 -0.00243 -0.00250 2.18173 A38 2.07433 0.00085 0.00013 0.00095 0.00108 2.07541 A39 2.10698 -0.00071 -0.00011 -0.00075 -0.00085 2.10613 A40 2.07288 0.00013 -0.00042 0.00010 -0.00033 2.07256 A41 2.10332 0.00058 0.00053 0.00065 0.00118 2.10450 A42 2.09406 0.00018 0.00006 0.00009 0.00016 2.09421 A43 2.08769 0.00024 0.00039 0.00052 0.00090 2.08859 A44 2.10144 -0.00042 -0.00045 -0.00061 -0.00106 2.10038 A45 2.09091 0.00028 0.00004 0.00033 0.00037 2.09128 A46 2.09955 -0.00027 -0.00012 -0.00058 -0.00070 2.09885 A47 2.09271 -0.00001 0.00008 0.00025 0.00034 2.09305 A48 2.09741 -0.00018 0.00010 -0.00022 -0.00013 2.09728 A49 2.09421 0.00049 0.00056 0.00063 0.00119 2.09540 A50 2.09155 -0.00030 -0.00065 -0.00040 -0.00105 2.09051 A51 2.10261 -0.00041 -0.00022 -0.00039 -0.00059 2.10202 A52 2.12784 -0.00057 0.00075 -0.00126 -0.00049 2.12735 A53 2.05239 0.00098 -0.00052 0.00171 0.00123 2.05361 D1 -3.10182 0.00006 -0.00208 0.00098 -0.00109 -3.10291 D2 1.09962 -0.00007 -0.00175 0.00067 -0.00109 1.09853 D3 -0.97759 -0.00015 -0.00430 0.00061 -0.00367 -0.98126 D4 -1.04213 0.00028 -0.00005 -0.00058 -0.00063 -1.04275 D5 -3.12387 0.00015 0.00027 -0.00089 -0.00063 -3.12450 D6 1.08211 0.00006 -0.00227 -0.00095 -0.00321 1.07890 D7 1.02588 -0.00004 -0.00422 -0.00092 -0.00514 1.02074 D8 -1.05587 -0.00017 -0.00389 -0.00123 -0.00514 -1.06101 D9 -3.13308 -0.00025 -0.00644 -0.00129 -0.00772 -3.14080 D10 -1.06782 0.00010 -0.00027 -0.00085 -0.00113 -1.06895 D11 3.09375 -0.00023 -0.00088 0.00012 -0.00076 3.09299 D12 1.09104 0.00013 0.00002 0.00042 0.00043 1.09147 D13 1.31640 0.00053 0.03785 0.00200 0.03984 1.35624 D14 -1.83816 0.00044 0.04710 0.00133 0.04843 -1.78973 D15 -2.85015 0.00106 0.04046 0.00183 0.04227 -2.80788 D16 0.27848 0.00098 0.04970 0.00115 0.05086 0.32934 D17 -0.79794 0.00082 0.04179 0.00233 0.04412 -0.75382 D18 2.33069 0.00074 0.05104 0.00165 0.05271 2.38340 D19 -3.13094 0.00017 -0.00114 -0.00403 -0.00515 -3.13609 D20 0.02436 0.00001 -0.00556 0.00116 -0.00440 0.01996 D21 -0.04022 -0.00011 0.00724 -0.00334 0.00390 -0.03632 D22 3.11508 -0.00027 0.00283 0.00184 0.00465 3.11973 D23 -0.05291 -0.00069 0.00587 -0.00110 0.00477 -0.04814 D24 3.09794 -0.00026 0.00884 -0.00276 0.00607 3.10401 D25 3.03688 -0.00092 0.01441 -0.00033 0.01410 3.05097 D26 -0.09546 -0.00049 0.01738 -0.00199 0.01540 -0.08006 D27 -3.13531 -0.00011 -0.00340 0.00342 0.00003 -3.13529 D28 -0.00804 0.00006 0.00122 -0.00199 -0.00077 -0.00881 D29 3.13569 0.00008 -0.00253 -0.00299 -0.00550 3.13019 D30 0.00375 0.00007 -0.00099 -0.00293 -0.00394 -0.00018 D31 0.00775 -0.00005 -0.00694 0.00219 -0.00473 0.00303 D32 -3.12419 -0.00006 -0.00540 0.00224 -0.00316 -3.12734 D33 3.13771 -0.00001 0.00950 0.00066 0.01010 -3.13537 D34 -0.00191 -0.00009 0.00834 0.00050 0.00882 0.00691 D35 3.14133 0.00003 -0.00337 0.00013 -0.00337 3.13795 D36 0.01253 0.00012 -0.01266 0.00081 -0.01183 0.00069 D37 0.00160 -0.00005 -0.00447 -0.00001 -0.00459 -0.00299 D38 -3.12720 0.00004 -0.01376 0.00066 -0.01305 -3.14025 D39 -3.14095 -0.00004 -0.00239 0.00016 -0.00234 3.13989 D40 -0.00489 -0.00001 -0.00411 -0.00039 -0.00459 -0.00948 D41 -0.01286 -0.00012 0.00713 -0.00054 0.00661 -0.00625 D42 3.12321 -0.00009 0.00541 -0.00109 0.00436 3.12757 D43 0.00286 0.00009 0.00252 -0.00088 0.00162 0.00447 D44 3.13519 0.00008 0.00102 -0.00093 0.00009 3.13528 D45 -3.13284 0.00005 0.00434 -0.00030 0.00400 -3.12885 D46 -0.00051 0.00005 0.00283 -0.00036 0.00247 0.00196 D47 2.92792 -0.00084 0.03319 -0.00096 0.03223 2.96015 D48 -0.22669 -0.00086 0.03537 -0.00041 0.03496 -0.19173 D49 -0.20470 -0.00041 0.03607 -0.00258 0.03350 -0.17120 D50 2.92388 -0.00043 0.03825 -0.00202 0.03622 2.96010 D51 -3.14052 -0.00006 -0.00044 -0.00065 -0.00110 3.14156 D52 -0.00136 0.00001 0.00026 0.00040 0.00066 -0.00070 D53 0.01322 -0.00001 -0.00247 -0.00114 -0.00362 0.00960 D54 -3.13080 0.00005 -0.00177 -0.00009 -0.00186 -3.13266 D55 -3.13745 0.00005 -0.00038 0.00056 0.00019 -3.13726 D56 -0.02530 0.00001 0.00457 0.00306 0.00761 -0.01769 D57 -0.00922 0.00003 0.00186 0.00113 0.00299 -0.00622 D58 3.10293 -0.00001 0.00681 0.00363 0.01041 3.11334 D59 -0.00710 -0.00001 0.00124 0.00033 0.00158 -0.00553 D60 3.13570 0.00002 0.00113 0.00053 0.00166 3.13736 D61 3.13696 -0.00007 0.00053 -0.00074 -0.00021 3.13675 D62 -0.00343 -0.00005 0.00041 -0.00053 -0.00012 -0.00355 D63 -0.00320 0.00001 0.00063 0.00052 0.00115 -0.00205 D64 -3.13942 0.00001 -0.00036 -0.00009 -0.00045 -3.13987 D65 3.13718 -0.00002 0.00074 0.00032 0.00107 3.13824 D66 0.00096 -0.00002 -0.00024 -0.00029 -0.00054 0.00042 D67 0.00717 0.00002 -0.00123 -0.00053 -0.00177 0.00540 D68 -3.12844 -0.00000 -0.00236 -0.00142 -0.00379 -3.13224 D69 -3.13978 0.00002 -0.00025 0.00007 -0.00017 -3.13996 D70 0.00779 -0.00000 -0.00138 -0.00082 -0.00219 0.00560 D71 -0.00089 -0.00004 -0.00003 -0.00030 -0.00033 -0.00121 D72 -3.11428 0.00002 -0.00474 -0.00265 -0.00741 -3.12169 D73 3.13473 -0.00002 0.00110 0.00059 0.00170 3.13643 D74 0.02134 0.00004 -0.00362 -0.00176 -0.00539 0.01595 Item Value Threshold Converged? Maximum Force 0.002727 0.000450 NO RMS Force 0.000723 0.000300 NO Maximum Displacement 0.164613 0.001800 NO RMS Displacement 0.042437 0.001200 NO Predicted change in Energy=-6.577850D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.613008 -6.550259 1.313367 2 6 0 7.766586 -6.823668 2.262848 3 8 0 5.553072 -7.437092 1.526979 4 7 0 4.655087 -1.412334 1.949253 5 6 0 5.168364 -2.673351 1.783652 6 7 0 6.259272 -2.875754 1.142751 7 6 0 6.772934 -4.128827 0.967393 8 8 0 7.791732 -4.353378 0.380021 9 7 0 6.054503 -5.206338 1.511560 10 6 0 4.901940 -5.005031 2.179787 11 6 0 4.412045 -3.768123 2.350074 12 1 0 6.943846 -6.591680 0.287077 13 1 0 8.560026 -6.107141 2.111552 14 1 0 8.163240 -7.817230 2.074892 15 1 0 3.810075 -1.380874 2.466152 16 6 0 5.169279 -0.187706 1.539075 17 1 0 4.409340 -5.877521 2.551384 18 35 0 2.780938 -3.529228 3.288115 19 1 0 7.420158 -6.779762 3.289759 20 1 0 5.848195 -8.323707 1.369185 21 8 0 6.213658 -0.055635 0.991733 22 6 0 4.295269 0.998995 1.856062 23 6 0 4.870754 2.249781 1.666237 24 6 0 4.153183 3.404458 1.928126 25 6 0 2.847010 3.320207 2.377526 26 6 0 2.259878 2.077345 2.561873 27 6 0 2.978201 0.924526 2.303977 28 1 0 5.882426 2.304124 1.313294 29 1 0 4.615709 4.363876 1.779325 30 1 0 2.284982 4.214671 2.580827 31 1 0 1.242507 2.007573 2.902635 32 1 0 2.477783 -0.016918 2.442511 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518884 0.000000 3 O 1.398416 2.411936 0.000000 4 N 5.534987 6.249984 6.105932 0.000000 5 C 4.163962 4.919910 4.786137 1.371511 0.000000 6 N 3.695433 4.371800 4.631648 2.316345 1.281328 7 C 2.451245 3.150827 3.570128 3.581712 2.315024 8 O 2.662106 3.106123 3.979497 4.577201 3.416830 9 N 1.468786 2.472128 2.286468 4.067482 2.697276 10 C 2.462959 3.394191 2.600972 3.608539 2.380049 11 C 3.695846 4.538381 3.929474 2.401973 1.446160 12 H 1.079092 2.152763 2.046052 5.901430 4.554709 13 H 2.150427 1.079745 3.339501 6.108691 4.837541 14 H 2.142045 1.086199 2.694009 7.303808 5.959328 15 H 5.992318 6.731962 6.371645 0.991070 1.995307 16 C 6.528199 7.162809 7.259549 1.390091 2.497649 17 H 2.615610 3.499935 2.188560 4.512300 3.381159 18 Br 5.264126 6.063101 5.104678 3.128295 2.948854 19 H 2.147158 1.084659 2.650563 6.184809 4.919507 20 H 1.932142 2.594027 0.947672 7.037547 5.706179 21 O 6.514834 7.059290 7.430260 2.277414 2.927834 22 C 7.915659 8.567938 8.535686 2.439807 3.775402 23 C 8.977787 9.543022 9.711872 3.679360 4.933517 24 C 10.272539 10.852800 10.938913 4.842916 6.163703 25 C 10.617969 11.274465 11.125003 5.084240 6.454774 26 C 9.743924 10.470973 10.121297 4.276703 5.624414 27 C 8.370516 9.108503 8.783527 2.898049 4.244087 28 H 8.884472 9.368473 9.749124 3.965206 5.050384 29 H 11.105163 11.632839 11.840826 5.778842 7.058895 30 H 11.671417 12.328585 12.147205 6.138360 7.509609 31 H 10.227636 10.998352 10.472588 4.924470 6.210920 32 H 7.814064 8.621807 8.084218 2.632706 3.837963 6 7 8 9 10 6 N 0.000000 7 C 1.365574 0.000000 8 O 2.261319 1.197237 0.000000 9 N 2.368454 1.404738 2.241848 0.000000 10 C 2.729765 2.395464 3.466223 1.347388 0.000000 11 C 2.380379 2.759658 3.955491 2.338640 1.341244 12 H 3.874136 2.560798 2.395318 2.051698 3.204557 13 H 4.083370 2.901124 2.581503 2.729301 3.821112 14 H 5.377004 4.094364 3.874129 3.403068 4.307614 15 H 3.159845 4.309995 5.388998 4.536835 3.795877 16 C 2.927586 4.293130 5.057023 5.096179 4.867094 17 H 3.796986 3.339691 4.298651 2.058709 1.068634 18 Br 4.138650 4.656319 5.851862 4.084737 2.811590 19 H 4.604192 3.583258 3.806833 2.739100 3.274619 20 H 5.468131 4.314348 4.529823 3.127432 3.544868 21 O 2.824527 4.111481 4.618993 5.179313 5.256291 22 C 4.402249 5.763950 6.561390 6.459082 6.043275 23 C 5.336021 6.692781 7.334042 7.551085 7.273032 24 C 6.670343 8.033461 8.707450 8.828043 8.446507 25 C 7.180399 8.537533 9.344741 9.150949 8.577378 26 C 6.522442 7.837514 8.758771 8.279757 7.568787 27 C 5.153252 6.459322 7.397834 6.905002 6.235050 28 H 5.196366 6.503500 6.988474 7.515048 7.425355 29 H 7.451091 8.799935 9.382733 9.681467 9.381828 30 H 8.254524 9.610351 10.420139 10.203334 9.592299 31 H 7.218864 8.484468 9.471938 8.782420 7.942957 32 H 4.915484 6.126345 7.162178 6.371002 5.552191 11 12 13 14 15 11 C 0.000000 12 H 4.317227 0.000000 13 H 4.767981 2.485061 0.000000 14 H 5.526522 2.487001 1.755901 0.000000 15 H 2.464711 6.459209 6.710095 7.780090 0.000000 16 C 3.748402 6.762209 6.845773 8.213436 2.032378 17 H 2.118984 3.472871 4.180236 4.252209 4.537203 18 Br 1.896708 5.976173 6.436443 6.987707 2.519954 19 H 4.359096 3.046037 1.771974 1.761934 6.546680 20 H 4.876271 2.317612 3.580266 2.472645 7.318484 21 O 4.344360 6.614348 6.586362 8.075671 3.115666 22 C 4.794069 8.191155 8.291598 9.629896 2.504276 23 C 6.073979 9.185381 9.145883 10.599631 3.866078 24 C 7.189644 10.507313 10.484485 11.917566 4.827691 25 C 7.259098 10.927010 11.026521 12.344893 4.799532 26 C 6.232671 10.112678 10.338301 11.532105 3.790983 27 C 4.907035 8.734277 8.979874 10.166386 2.456255 28 H 6.333176 9.017486 8.863189 10.403073 4.382115 29 H 8.154547 11.299169 11.194204 12.690613 5.841483 30 H 8.264542 11.989309 12.088680 13.400616 5.800792 31 H 6.611351 10.643945 10.955386 12.046097 4.273699 32 H 4.221546 8.235236 8.613596 9.659422 1.906814 16 17 18 19 20 16 C 0.000000 17 H 5.828917 0.000000 18 Br 4.464200 2.951093 0.000000 19 H 7.182378 3.228662 5.664657 0.000000 20 H 8.166046 3.074366 6.006446 2.922915 0.000000 21 O 1.186487 6.291457 5.396552 7.207666 8.284748 22 C 1.507526 6.912521 4.984854 8.504674 9.463689 23 C 2.458989 8.188371 6.355687 9.521971 10.622725 24 C 3.753326 9.306407 7.197821 10.781721 11.863193 25 C 4.289683 9.331093 6.910014 11.124532 12.066673 26 C 3.826380 8.240157 5.677375 10.276510 11.067087 27 C 2.573511 6.955373 4.565453 8.947559 9.728337 28 H 2.601686 8.404889 6.895443 9.422739 10.628033 29 H 4.591411 10.272530 8.242810 11.589953 12.753901 30 H 5.365197 10.313394 7.791931 12.155253 13.091046 31 H 4.700860 8.504523 5.759473 10.748511 11.414867 32 H 2.844208 6.171663 3.625364 8.419083 9.028536 21 22 23 24 25 21 O 0.000000 22 C 2.353620 0.000000 23 C 2.751961 1.389850 0.000000 24 C 4.134565 2.410733 1.384475 0.000000 25 C 4.964982 2.785211 2.397349 1.383888 0.000000 26 C 4.758920 2.409112 2.765604 2.397388 1.386871 27 C 3.626414 1.393140 2.396825 2.769821 2.400397 28 H 2.404491 2.125330 1.072848 2.139868 3.373242 29 H 4.765062 3.380975 2.132424 1.075432 2.139015 30 H 6.016246 3.860972 3.373941 2.138373 1.075766 31 H 5.711454 3.381109 3.840770 3.372387 2.138499 32 H 4.007869 2.163159 3.386272 3.844135 3.358118 26 27 28 29 30 26 C 0.000000 27 C 1.382566 0.000000 28 H 3.838389 3.364412 0.000000 29 H 3.374988 3.845233 2.462587 0.000000 30 H 2.137557 3.373759 4.265962 2.469201 0.000000 31 H 1.075189 2.131669 4.913532 4.265264 2.462031 32 H 2.108950 1.075141 4.272466 4.919543 4.238237 31 32 31 H 0.000000 32 H 2.415820 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.528511 -0.692999 -0.222277 2 6 0 -5.096722 -1.146881 1.111191 3 8 0 -5.039051 0.553306 -0.598626 4 7 0 0.985294 -0.254482 -0.017973 5 6 0 -0.378399 -0.393968 -0.061867 6 7 0 -0.933095 -1.544742 -0.161035 7 6 0 -2.289798 -1.691336 -0.212614 8 8 0 -2.841110 -2.750574 -0.298909 9 7 0 -3.070663 -0.524754 -0.161390 10 6 0 -2.496950 0.690633 -0.065782 11 6 0 -1.163107 0.819657 -0.009660 12 1 0 -4.716005 -1.429056 -0.988767 13 1 0 -4.664050 -2.091233 1.405884 14 1 0 -6.171460 -1.276607 1.022101 15 1 0 1.296688 0.682790 0.064329 16 6 0 1.974553 -1.231025 -0.027157 17 1 0 -3.159596 1.528767 -0.045527 18 35 0 -0.395291 2.549575 0.114217 19 1 0 -4.902082 -0.398172 1.871478 20 1 0 -5.979705 0.491498 -0.695748 21 8 0 1.756518 -2.397302 -0.030359 22 6 0 3.384524 -0.697602 -0.018494 23 6 0 4.390108 -1.632252 0.198098 24 6 0 5.719374 -1.246112 0.224910 25 6 0 6.058230 0.081178 0.028380 26 6 0 5.063485 1.020789 -0.197507 27 6 0 3.735940 0.635305 -0.220248 28 1 0 4.117048 -2.659332 0.344892 29 1 0 6.484128 -1.982219 0.397691 30 1 0 7.089839 0.385674 0.046760 31 1 0 5.323044 2.051567 -0.359234 32 1 0 2.999367 1.393289 -0.417351 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5079764 0.1431579 0.1134704 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.9461449135 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= 339 RedAO= T EigKep= 4.23D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999998 0.001973 0.000058 -0.000470 Ang= 0.23 deg. 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) = -3457.12163697 A.U. after 13 cycles NFock= 13 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 -0.001956756 -0.000959389 0.000919777 2 6 -0.000320754 -0.000426275 -0.000126804 3 8 0.000388844 -0.000199756 -0.000961921 4 7 -0.000736051 -0.002269219 0.000946029 5 6 -0.000444978 -0.000355198 -0.000984519 6 7 0.000353940 0.000574783 0.000025991 7 6 -0.000624911 0.001232572 -0.000785898 8 8 -0.000687212 -0.000287618 0.000644809 9 7 0.000476946 0.000658129 -0.000476852 10 6 0.001516493 -0.000325909 -0.000111613 11 6 -0.000692269 -0.000701328 0.000890015 12 1 0.000440580 0.000415347 0.000303225 13 1 0.000404118 0.000338580 0.000085436 14 1 0.000444655 -0.000245197 0.000246265 15 1 0.000681015 0.000641832 0.000736432 16 6 0.000777931 0.001640349 -0.001512065 17 1 -0.000454686 0.000283951 0.000148288 18 35 0.000634642 0.000245720 -0.000359734 19 1 0.000153520 0.000104418 0.000023194 20 1 -0.000048847 0.000402143 0.000041866 21 8 -0.000498384 -0.000588927 0.000543070 22 6 -0.000274771 -0.000522917 0.000276121 23 6 0.000436540 0.001913423 0.000254610 24 6 0.001732097 -0.000668587 -0.000608286 25 6 -0.001645256 -0.000943602 0.000538488 26 6 -0.000369705 0.002423883 0.000128497 27 6 0.000453916 -0.001588781 -0.000404118 28 1 -0.000358667 -0.000214417 0.000069760 29 1 -0.000394752 -0.000294897 0.000147132 30 1 0.000288303 -0.000289907 -0.000102267 31 1 0.000265171 -0.000230251 -0.000103021 32 1 0.000059286 0.000237043 -0.000431907 ------------------------------------------------------------------- Cartesian Forces: Max 0.002423883 RMS 0.000763363 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001328845 RMS 0.000443022 Search for a local minimum. Step number 14 out of a maximum of 170 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 6 7 8 9 10 11 12 13 14 DE= -1.18D-04 DEPred=-6.58D-05 R= 1.79D+00 TightC=F SS= 1.41D+00 RLast= 1.40D-01 DXNew= 1.1804D+00 4.2076D-01 Trust test= 1.79D+00 RLast= 1.40D-01 DXMaxT set to 7.02D-01 ITU= 1 1 1 1 1 1 1 1 -1 1 1 0 1 0 Eigenvalues --- -0.02281 0.00150 0.00283 0.01213 0.01333 Eigenvalues --- 0.01505 0.01525 0.01597 0.01624 0.01710 Eigenvalues --- 0.01830 0.01890 0.01913 0.02070 0.02106 Eigenvalues --- 0.02114 0.02120 0.02134 0.02140 0.02363 Eigenvalues --- 0.02518 0.02573 0.02591 0.02619 0.03740 Eigenvalues --- 0.05000 0.05554 0.05738 0.07750 0.08791 Eigenvalues --- 0.13276 0.14378 0.15706 0.15787 0.15992 Eigenvalues --- 0.15999 0.16000 0.16000 0.16060 0.16218 Eigenvalues --- 0.16304 0.16811 0.18775 0.21391 0.21755 Eigenvalues --- 0.22003 0.22668 0.23225 0.23612 0.23965 Eigenvalues --- 0.24346 0.24473 0.24986 0.25309 0.25625 Eigenvalues --- 0.27452 0.29056 0.30303 0.31837 0.33613 Eigenvalues --- 0.33760 0.33816 0.34180 0.35005 0.35355 Eigenvalues --- 0.35499 0.36429 0.38372 0.38401 0.38437 Eigenvalues --- 0.38482 0.38730 0.39231 0.40587 0.41458 Eigenvalues --- 0.43082 0.43997 0.45494 0.46714 0.48746 Eigenvalues --- 0.50758 0.52969 0.55123 0.56022 0.56120 Eigenvalues --- 0.58048 0.65680 0.73253 0.86796 0.88891 Use linear search instead of GDIIS. RFO step: Lambda=-2.31630261D-02 EMin=-2.28117968D-02 I= 1 Eig= -2.28D-02 Dot1= 1.71D-03 I= 1 Stepn= 6.00D-01 RXN= 6.00D-01 EDone=F Mixed 1 eigenvectors in step. Raw Step.Grad= 1.71D-03. RFO eigenvector is Hessian eigenvector with negative curvature. Taking step of 6.00D-01 in eigenvector direction(s). Step.Grad= 7.34D-05. Quartic linear search produced a step of 0.36019. Iteration 1 RMS(Cart)= 0.16104196 RMS(Int)= 0.00732292 Iteration 2 RMS(Cart)= 0.01221295 RMS(Int)= 0.00058572 Iteration 3 RMS(Cart)= 0.00007588 RMS(Int)= 0.00058492 Iteration 4 RMS(Cart)= 0.00000003 RMS(Int)= 0.00058492 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87028 0.00070 0.00030 -0.00916 -0.00886 2.86141 R2 2.64262 -0.00053 -0.00026 0.00717 0.00691 2.64953 R3 2.77560 0.00026 -0.00053 -0.01201 -0.01255 2.76306 R4 2.03919 -0.00017 -0.00020 -0.02965 -0.02985 2.00934 R5 2.04042 0.00051 0.00058 -0.00744 -0.00685 2.03357 R6 2.05262 0.00034 0.00017 -0.02141 -0.02124 2.03138 R7 2.04971 -0.00002 0.00010 -0.01324 -0.01313 2.03658 R8 1.79084 -0.00040 0.00004 -0.03466 -0.03462 1.75622 R9 2.59178 -0.00079 -0.00014 -0.03535 -0.03550 2.55628 R10 1.87285 -0.00018 0.00005 0.00271 0.00276 1.87561 R11 2.62689 0.00130 0.00082 0.01874 0.01956 2.64645 R12 2.42136 -0.00049 -0.00006 0.00369 0.00367 2.42503 R13 2.73285 0.00001 0.00031 -0.01037 -0.01012 2.72273 R14 2.58056 -0.00078 -0.00009 -0.00741 -0.00738 2.57318 R15 2.26245 -0.00085 -0.00011 -0.02876 -0.02888 2.23357 R16 2.65457 0.00004 0.00022 -0.01354 -0.01325 2.64132 R17 2.54619 -0.00056 -0.00015 0.00348 0.00327 2.54947 R18 2.53458 -0.00023 -0.00014 -0.00483 -0.00510 2.52949 R19 2.01943 0.00003 0.00020 -0.00006 0.00014 2.01957 R20 3.58426 -0.00069 -0.00035 -0.09829 -0.09863 3.48563 R21 2.24214 -0.00075 -0.00017 -0.02585 -0.02602 2.21611 R22 2.84881 -0.00030 -0.00040 -0.00502 -0.00542 2.84339 R23 2.62644 0.00079 0.00049 0.01443 0.01489 2.64133 R24 2.63265 -0.00027 -0.00049 -0.02065 -0.02117 2.61149 R25 2.61628 -0.00100 -0.00050 -0.03809 -0.03859 2.57769 R26 2.02739 -0.00037 -0.00015 0.01415 0.01400 2.04139 R27 2.61517 0.00107 0.00057 0.02848 0.02908 2.64425 R28 2.03227 -0.00045 -0.00023 0.01389 0.01366 2.04593 R29 2.62081 -0.00126 -0.00060 -0.03160 -0.03217 2.58864 R30 2.03290 -0.00041 -0.00021 0.01391 0.01370 2.04660 R31 2.61267 0.00106 0.00060 0.02801 0.02861 2.64128 R32 2.03181 -0.00027 -0.00015 0.01317 0.01302 2.04483 R33 2.03172 -0.00029 -0.00009 0.00701 0.00692 2.03864 A1 1.94552 0.00035 0.00104 0.02769 0.02715 1.97267 A2 1.94889 -0.00023 -0.00052 -0.01643 -0.02040 1.92848 A3 1.93346 -0.00010 -0.00065 -0.03178 -0.03400 1.89946 A4 1.84568 0.00033 -0.00014 0.10092 0.10031 1.94598 A5 1.93191 -0.00018 0.00092 -0.02289 -0.02015 1.91176 A6 1.85463 -0.00017 -0.00068 -0.05626 -0.05785 1.79678 A7 1.92950 0.00002 -0.00058 -0.02604 -0.02649 1.90301 A8 1.91116 0.00065 0.00113 0.01903 0.01998 1.93114 A9 1.91982 0.00004 0.00077 0.01952 0.02008 1.93990 A10 1.89064 -0.00028 -0.00029 -0.00324 -0.00338 1.88726 A11 1.91824 -0.00019 -0.00084 -0.00918 -0.00991 1.90833 A12 1.89387 -0.00025 -0.00018 0.00015 -0.00051 1.89336 A13 1.90905 -0.00015 -0.00006 0.03738 0.03733 1.94637 A14 1.99462 0.00120 0.00147 -0.01899 -0.01781 1.97681 A15 2.26002 -0.00133 -0.00081 0.01863 0.01753 2.27754 A16 2.02786 0.00012 -0.00054 -0.00131 -0.00214 2.02572 A17 2.12264 -0.00131 -0.00071 -0.01104 -0.01283 2.10981 A18 2.04094 0.00070 0.00026 0.00979 0.00889 2.04984 A19 2.11951 0.00062 0.00045 0.00234 0.00185 2.12136 A20 2.12873 -0.00068 -0.00017 0.00319 0.00350 2.13223 A21 2.15939 0.00030 0.00019 0.03952 0.03833 2.19772 A22 2.05075 0.00047 -0.00015 -0.00786 -0.00872 2.04203 A23 2.07304 -0.00077 -0.00005 -0.03161 -0.03283 2.04021 A24 2.04328 0.00037 0.00173 -0.04272 -0.04140 2.00188 A25 2.12809 -0.00035 -0.00186 0.03352 0.03122 2.15931 A26 2.11180 -0.00002 0.00015 0.00937 0.00938 2.12118 A27 2.10969 -0.00013 0.00022 -0.00382 -0.00363 2.10606 A28 2.03173 0.00062 0.00044 0.00752 0.00795 2.03968 A29 2.14174 -0.00049 -0.00066 -0.00375 -0.00441 2.13733 A30 2.04584 -0.00025 -0.00048 -0.00289 -0.00340 2.04244 A31 2.15090 -0.00047 -0.00039 0.00585 0.00548 2.15637 A32 2.08639 0.00072 0.00087 -0.00297 -0.00208 2.08431 A33 2.16491 -0.00054 0.00022 -0.00355 -0.00343 2.16148 A34 2.00092 -0.00013 -0.00075 -0.02183 -0.02269 1.97824 A35 2.11730 0.00067 0.00052 0.02513 0.02554 2.14283 A36 2.02600 0.00052 0.00052 0.01875 0.01921 2.04521 A37 2.18173 -0.00071 -0.00090 -0.02415 -0.02510 2.15663 A38 2.07541 0.00019 0.00039 0.00518 0.00544 2.08085 A39 2.10613 -0.00028 -0.00031 -0.00999 -0.01033 2.09580 A40 2.07256 -0.00006 -0.00012 -0.00045 -0.00056 2.07200 A41 2.10450 0.00034 0.00043 0.01044 0.01087 2.11537 A42 2.09421 0.00018 0.00006 0.00868 0.00877 2.10298 A43 2.08859 0.00016 0.00032 0.00207 0.00238 2.09097 A44 2.10038 -0.00034 -0.00038 -0.01075 -0.01115 2.08924 A45 2.09128 0.00018 0.00013 0.00525 0.00542 2.09670 A46 2.09885 -0.00018 -0.00025 -0.01012 -0.01041 2.08844 A47 2.09305 0.00001 0.00012 0.00484 0.00492 2.09796 A48 2.09728 -0.00011 -0.00005 -0.01504 -0.01507 2.08221 A49 2.09540 0.00031 0.00043 0.00374 0.00415 2.09954 A50 2.09051 -0.00020 -0.00038 0.01127 0.01087 2.10137 A51 2.10202 -0.00015 -0.00021 0.00575 0.00546 2.10748 A52 2.12735 0.00001 -0.00017 -0.03837 -0.03859 2.08876 A53 2.05361 0.00014 0.00044 0.03219 0.03257 2.08618 D1 -3.10291 -0.00009 -0.00039 -0.05213 -0.05237 3.12790 D2 1.09853 -0.00017 -0.00039 -0.04405 -0.04412 1.05441 D3 -0.98126 -0.00029 -0.00132 -0.06780 -0.06912 -1.05038 D4 -1.04275 0.00040 -0.00023 0.08258 0.08182 -0.96093 D5 -3.12450 0.00032 -0.00023 0.09065 0.09007 -3.03442 D6 1.07890 0.00020 -0.00116 0.06690 0.06507 1.14397 D7 1.02074 -0.00004 -0.00185 -0.01936 -0.02086 0.99988 D8 -1.06101 -0.00012 -0.00185 -0.01128 -0.01261 -1.07362 D9 -3.14080 -0.00023 -0.00278 -0.03503 -0.03761 3.10478 D10 -1.06895 0.00004 -0.00041 0.02972 0.03131 -1.03764 D11 3.09299 -0.00008 -0.00027 -0.03016 -0.03237 3.06062 D12 1.09147 0.00003 0.00016 -0.00809 -0.00800 1.08347 D13 1.35624 0.00016 0.01435 -0.00001 0.01478 1.37102 D14 -1.78973 0.00018 0.01744 0.04435 0.06192 -1.72781 D15 -2.80788 0.00066 0.01523 0.08869 0.10501 -2.70286 D16 0.32934 0.00068 0.01832 0.13304 0.15215 0.48149 D17 -0.75382 0.00053 0.01589 0.08416 0.09899 -0.65483 D18 2.38340 0.00055 0.01898 0.12852 0.14613 2.52952 D19 -3.13609 0.00024 -0.00186 0.04203 0.04004 -3.09605 D20 0.01996 -0.00000 -0.00158 -0.04263 -0.04426 -0.02430 D21 -0.03632 -0.00008 0.00140 -0.00897 -0.00753 -0.04385 D22 3.11973 -0.00032 0.00168 -0.09364 -0.09183 3.02791 D23 -0.04814 -0.00059 0.00172 -0.10594 -0.10403 -0.15217 D24 3.10401 -0.00032 0.00219 -0.07932 -0.07718 3.02683 D25 3.05097 -0.00090 0.00508 -0.15809 -0.15297 2.89800 D26 -0.08006 -0.00063 0.00555 -0.13147 -0.12612 -0.20618 D27 -3.13529 -0.00015 0.00001 -0.04186 -0.04094 3.10695 D28 -0.00881 0.00010 -0.00028 0.04666 0.04689 0.03809 D29 3.13019 0.00012 -0.00198 0.04240 0.04099 -3.11201 D30 -0.00018 0.00012 -0.00142 0.04273 0.04170 0.04152 D31 0.00303 -0.00011 -0.00170 -0.04199 -0.04377 -0.04074 D32 -3.12734 -0.00011 -0.00114 -0.04166 -0.04306 3.11278 D33 -3.13537 0.00010 0.00364 0.07571 0.08116 -3.05420 D34 0.00691 -0.00006 0.00318 -0.01163 -0.00873 -0.00183 D35 3.13795 0.00005 -0.00122 0.01527 0.01291 -3.13232 D36 0.00069 0.00003 -0.00426 -0.02872 -0.03315 -0.03246 D37 -0.00299 -0.00011 -0.00165 -0.06764 -0.06873 -0.07172 D38 -3.14025 -0.00013 -0.00470 -0.11162 -0.11479 3.02814 D39 3.13989 -0.00006 -0.00084 -0.01363 -0.01492 3.12497 D40 -0.00948 -0.00004 -0.00165 -0.02113 -0.02329 -0.03276 D41 -0.00625 -0.00004 0.00238 0.03233 0.03521 0.02896 D42 3.12757 -0.00002 0.00157 0.02482 0.02684 -3.12877 D43 0.00447 0.00008 0.00058 0.00169 0.00216 0.00664 D44 3.13528 0.00007 0.00003 0.00144 0.00153 3.13681 D45 -3.12885 0.00005 0.00144 0.00963 0.01096 -3.11789 D46 0.00196 0.00004 0.00089 0.00938 0.01033 0.01229 D47 2.96015 -0.00080 0.01161 -0.16520 -0.15379 2.80636 D48 -0.19173 -0.00090 0.01259 -0.19036 -0.17782 -0.36956 D49 -0.17120 -0.00053 0.01207 -0.13920 -0.12708 -0.29828 D50 2.96010 -0.00063 0.01305 -0.16435 -0.15111 2.80899 D51 3.14156 -0.00002 -0.00040 -0.00450 -0.00511 3.13646 D52 -0.00070 -0.00003 0.00024 -0.01054 -0.01052 -0.01122 D53 0.00960 0.00008 -0.00130 0.01923 0.01804 0.02764 D54 -3.13266 0.00007 -0.00067 0.01319 0.01262 -3.12004 D55 -3.13726 0.00005 0.00007 0.01470 0.01441 -3.12285 D56 -0.01769 -0.00014 0.00274 -0.00852 -0.00568 -0.02337 D57 -0.00622 -0.00005 0.00108 -0.01104 -0.01002 -0.01624 D58 3.11334 -0.00024 0.00375 -0.03427 -0.03011 3.08324 D59 -0.00553 -0.00004 0.00057 -0.01169 -0.01124 -0.01677 D60 3.13736 -0.00003 0.00060 -0.01135 -0.01082 3.12654 D61 3.13675 -0.00003 -0.00008 -0.00554 -0.00569 3.13106 D62 -0.00355 -0.00002 -0.00004 -0.00520 -0.00527 -0.00882 D63 -0.00205 -0.00002 0.00042 -0.00429 -0.00389 -0.00594 D64 -3.13987 0.00003 -0.00016 0.00619 0.00604 -3.13383 D65 3.13824 -0.00003 0.00038 -0.00462 -0.00430 3.13394 D66 0.00042 0.00001 -0.00019 0.00586 0.00563 0.00605 D67 0.00540 0.00005 -0.00064 0.01242 0.01188 0.01728 D68 -3.13224 0.00008 -0.00137 0.02096 0.01970 -3.11253 D69 -3.13996 0.00000 -0.00006 0.00195 0.00187 -3.13809 D70 0.00560 0.00004 -0.00079 0.01048 0.00969 0.01528 D71 -0.00121 -0.00001 -0.00012 -0.00469 -0.00490 -0.00611 D72 -3.12169 0.00017 -0.00267 0.01843 0.01604 -3.10565 D73 3.13643 -0.00004 0.00061 -0.01322 -0.01274 3.12369 D74 0.01595 0.00014 -0.00194 0.00990 0.00820 0.02415 Item Value Threshold Converged? Maximum Force 0.001329 0.000450 NO RMS Force 0.000443 0.000300 NO Maximum Displacement 0.713989 0.001800 NO RMS Displacement 0.163196 0.001200 NO Predicted change in Energy=-5.780215D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.528336 -6.543334 1.327099 2 6 0 7.751449 -6.744206 2.196831 3 8 0 5.563254 -7.545944 1.497961 4 7 0 4.694594 -1.405674 1.977640 5 6 0 5.127394 -2.673377 1.789268 6 7 0 6.154804 -2.917122 1.060021 7 6 0 6.636603 -4.178584 0.884732 8 8 0 7.621154 -4.469658 0.299108 9 7 0 5.961733 -5.212368 1.540083 10 6 0 4.904086 -4.968070 2.341224 11 6 0 4.446660 -3.721055 2.506827 12 1 0 6.832634 -6.512557 0.308740 13 1 0 8.452474 -5.950538 2.005296 14 1 0 8.231691 -7.677745 1.965733 15 1 0 3.918200 -1.343864 2.592868 16 6 0 5.220142 -0.188733 1.525876 17 1 0 4.451559 -5.812617 2.814613 18 35 0 2.993553 -3.427209 3.604262 19 1 0 7.489423 -6.744396 3.242202 20 1 0 5.904959 -8.386105 1.295316 21 8 0 6.260978 -0.083347 0.995953 22 6 0 4.338675 0.991675 1.831885 23 6 0 4.932890 2.256501 1.804101 24 6 0 4.187186 3.368120 2.066527 25 6 0 2.820536 3.256724 2.345510 26 6 0 2.217711 2.026657 2.350344 27 6 0 2.985997 0.887350 2.094814 28 1 0 5.986623 2.330068 1.577850 29 1 0 4.655068 4.344420 2.057548 30 1 0 2.239806 4.148873 2.544864 31 1 0 1.155780 1.939938 2.539221 32 1 0 2.509048 -0.079824 2.064685 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.514195 0.000000 3 O 1.402071 2.432982 0.000000 4 N 5.493757 6.155675 6.219934 0.000000 5 C 4.141595 4.860393 4.900689 1.352727 0.000000 6 N 3.655170 4.299788 4.686973 2.293189 1.283271 7 C 2.408205 3.089806 3.587094 3.557369 2.315501 8 O 2.559521 2.965114 3.890467 4.557435 3.415558 9 N 1.462146 2.445594 2.367728 4.035841 2.684156 10 C 2.479535 3.359015 2.791242 3.587024 2.370683 11 C 3.700053 4.489674 4.110276 2.387990 1.440805 12 H 1.063296 2.112527 2.023230 5.782447 4.454112 13 H 2.124539 1.076119 3.339207 5.897306 4.673608 14 H 2.143865 1.074957 2.712330 7.200699 5.891647 15 H 5.953946 6.634331 6.509288 0.992529 1.968636 16 C 6.490904 7.059173 7.365260 1.400441 2.500286 17 H 2.657000 3.484076 2.444149 4.492298 3.370892 18 Br 5.233584 5.968326 5.291867 3.102587 2.900990 19 H 2.152146 1.077710 2.719372 6.157283 4.925789 20 H 1.945615 2.630226 0.929353 7.117371 5.786524 21 O 6.473991 6.930415 7.511936 2.272843 2.936428 22 C 7.862937 8.463100 8.631456 2.428004 3.749199 23 C 8.956008 9.439875 9.827462 3.674020 4.933735 24 C 10.211007 10.722877 11.015154 4.801507 6.120502 25 C 10.527396 11.151440 11.177588 5.038390 6.387260 26 C 9.647448 10.371782 10.176144 4.249088 5.556201 27 C 8.267564 8.997810 8.838492 2.861991 4.166259 28 H 8.893458 9.264998 9.885405 3.973026 5.081085 29 H 11.071850 11.513670 11.938119 5.750785 7.038788 30 H 11.584375 12.213046 12.202871 6.099239 7.446622 31 H 10.114322 10.910291 10.511518 4.902214 6.133418 32 H 7.646939 8.480225 8.086551 2.557747 3.695688 6 7 8 9 10 6 N 0.000000 7 C 1.361668 0.000000 8 O 2.267054 1.181956 0.000000 9 N 2.352847 1.397728 2.201208 0.000000 10 C 2.722529 2.397138 3.435274 1.349120 0.000000 11 C 2.378510 2.763398 3.938507 2.335391 1.338547 12 H 3.735107 2.411976 2.189816 1.991273 3.199332 13 H 3.921026 2.773603 2.407317 2.639149 3.697181 14 H 5.272314 3.994621 3.666363 3.378161 4.307701 15 H 3.134831 4.282882 5.361324 4.499968 3.764328 16 C 2.921425 4.282094 5.059262 5.078097 4.858677 17 H 3.789925 3.341994 4.263524 2.065272 1.068709 18 Br 4.089849 4.607843 5.781473 4.032086 2.760373 19 H 4.603384 3.587249 3.722041 2.752845 3.263597 20 H 5.479741 4.290352 4.390481 3.183668 3.711958 21 O 2.836487 4.113931 4.644931 5.166476 5.245133 22 C 4.378675 5.736649 6.553642 6.419471 6.008134 23 C 5.367784 6.719984 7.398174 7.544019 7.244567 24 C 6.662496 8.021784 8.737658 8.777866 8.371467 25 C 7.133457 8.484105 9.323661 9.068701 8.484599 26 C 6.450317 7.757553 8.695221 8.190098 7.492856 27 C 5.058275 6.360417 7.307994 6.809500 6.166500 28 H 5.275362 6.577647 7.109370 7.542572 7.417374 29 H 7.481595 8.828565 9.464551 9.659572 9.320136 30 H 8.213420 9.562133 10.405835 10.123989 9.500448 31 H 7.125259 8.379323 9.375611 8.674730 7.861907 32 H 4.727700 5.935388 6.965739 6.207999 5.450471 11 12 13 14 15 11 C 0.000000 12 H 4.279829 0.000000 13 H 4.611797 2.412064 0.000000 14 H 5.502239 2.461838 1.741710 0.000000 15 H 2.436742 6.358188 6.490480 7.688794 0.000000 16 C 3.746710 6.638697 6.623912 8.083823 2.041532 17 H 2.114093 3.526873 4.084280 4.299849 4.505929 18 Br 1.844514 5.926077 6.222837 6.941896 2.493636 19 H 4.351985 3.015016 1.757161 1.746847 6.506998 20 H 5.035582 2.311730 3.595260 2.522879 7.431287 21 O 4.336750 6.491055 6.343922 7.905635 3.102845 22 C 4.762040 8.053154 8.071414 9.504332 2.492114 23 C 6.038329 9.096236 8.932157 10.468880 3.822875 24 C 7.107573 10.378632 10.248601 11.763474 4.748913 25 C 7.166568 10.755659 10.798525 12.206041 4.736186 26 C 6.166757 9.918862 10.130497 11.423278 3.782973 27 C 4.851875 8.529086 8.754833 10.044641 2.468881 28 H 6.312731 8.973204 8.650524 10.263874 4.336636 29 H 8.080666 11.210445 10.973111 12.543249 5.760738 30 H 8.173580 11.822031 11.869561 13.270530 5.743646 31 H 6.548113 10.423358 10.760410 11.953963 4.291526 32 H 4.148300 7.947125 8.354228 9.512457 1.965320 16 17 18 19 20 16 C 0.000000 17 H 5.820621 0.000000 18 Br 4.445797 2.905082 0.000000 19 H 7.146476 3.206191 5.598899 0.000000 20 H 8.229158 3.323173 6.196626 2.999351 0.000000 21 O 1.172716 6.277424 5.353574 7.136125 8.315778 22 C 1.504655 6.875819 4.947445 8.471304 9.522810 23 C 2.477719 8.146378 6.269463 9.466791 10.699011 24 C 3.743061 9.214958 7.068655 10.702801 11.904088 25 C 4.277977 9.226767 6.803627 11.073615 12.090163 26 C 3.821294 8.164547 5.649681 10.272182 11.096598 27 C 2.544219 6.896053 4.570985 8.935373 9.754820 28 H 2.633354 8.377907 6.797871 9.347426 10.720208 29 H 4.599072 10.187245 8.096367 11.506468 12.814425 30 H 5.360557 10.207639 7.686838 12.112310 13.119466 31 H 4.698632 8.428530 5.772174 10.771577 11.433686 32 H 2.766262 6.099234 3.716185 8.402809 9.006578 21 22 23 24 25 21 O 0.000000 22 C 2.355780 0.000000 23 C 2.809236 1.397730 0.000000 24 C 4.166458 2.392801 1.364053 0.000000 25 C 4.981367 2.774708 2.399086 1.399276 0.000000 26 C 4.757573 2.416294 2.779102 2.399772 1.369848 27 C 3.588210 1.381939 2.397808 2.756425 2.388338 28 H 2.497689 2.138121 1.080256 2.134088 3.387049 29 H 4.828152 3.375193 2.121515 1.082661 2.152095 30 H 6.039920 3.857654 3.373797 2.151899 1.083014 31 H 5.704244 3.395637 3.860981 3.384164 2.131398 32 H 3.901176 2.133036 3.376585 3.834640 3.362802 26 27 28 29 30 26 C 0.000000 27 C 1.397705 0.000000 28 H 3.859210 3.369339 0.000000 29 H 3.376161 3.839078 2.461861 0.000000 30 H 2.131227 3.375926 4.275723 2.471681 0.000000 31 H 1.082077 2.157575 4.940999 4.273002 2.460596 32 H 2.145632 1.078801 4.258886 4.917253 4.264380 31 32 31 H 0.000000 32 H 2.477087 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.493497 -0.656620 -0.255347 2 6 0 -5.014434 -1.120245 1.088701 3 8 0 -5.149594 0.486658 -0.733110 4 7 0 0.981840 -0.275358 -0.017275 5 6 0 -0.364507 -0.368416 -0.109779 6 7 0 -0.939394 -1.509731 -0.226793 7 6 0 -2.293984 -1.636864 -0.282123 8 8 0 -2.894539 -2.654612 -0.305453 9 7 0 -3.045436 -0.460958 -0.203319 10 6 0 -2.457661 0.742488 -0.040954 11 6 0 -1.124616 0.848993 0.016981 12 1 0 -4.601901 -1.448114 -0.957048 13 1 0 -4.478626 -2.004631 1.386698 14 1 0 -6.058770 -1.367104 1.025783 15 1 0 1.302610 0.655193 0.110382 16 6 0 1.961943 -1.274909 0.021857 17 1 0 -3.104153 1.591151 0.021958 18 35 0 -0.357022 2.512345 0.232134 19 1 0 -4.888431 -0.356850 1.838907 20 1 0 -6.061935 0.339833 -0.831978 21 8 0 1.724504 -2.418807 0.123765 22 6 0 3.365772 -0.735736 -0.028600 23 6 0 4.389898 -1.579217 0.411121 24 6 0 5.685304 -1.152718 0.385398 25 6 0 6.003958 0.121079 -0.098207 26 6 0 5.014496 0.949618 -0.557526 27 6 0 3.686222 0.516396 -0.517712 28 1 0 4.131966 -2.563821 0.773031 29 1 0 6.473594 -1.804573 0.740135 30 1 0 7.037748 0.443191 -0.119219 31 1 0 5.260690 1.924674 -0.956959 32 1 0 2.907594 1.152269 -0.909140 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5169430 0.1436861 0.1151800 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1902.7024754767 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= 339 RedAO= T EigKep= 4.24D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999996 0.002280 -0.001060 0.001436 Ang= 0.33 deg. 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) = -3457.11226110 A.U. after 15 cycles NFock= 15 Conv=0.66D-08 -V/T= 2.0036 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 0.008484707 -0.012504390 -0.005022108 2 6 -0.001617138 0.003205483 0.003027290 3 8 -0.018720947 0.037042467 0.014699381 4 7 -0.012247989 0.009084701 0.002876933 5 6 0.019321958 -0.007726168 0.002668151 6 7 -0.000074676 0.001404052 -0.010385064 7 6 -0.017373366 0.007077162 0.026038607 8 8 0.024602250 0.006573105 -0.025715010 9 7 -0.019494944 -0.011421184 0.008279661 10 6 0.007662784 -0.005841923 -0.007787216 11 6 0.008471526 -0.005839060 -0.010168614 12 1 0.003800713 -0.004188575 -0.010204303 13 1 0.002887745 0.000908183 0.000490453 14 1 0.002711282 -0.007649833 -0.002091924 15 1 0.000513855 0.004352929 -0.000326374 16 6 -0.019640512 -0.005623229 0.012843625 17 1 0.000158506 -0.002381504 0.000575906 18 35 -0.019206458 0.005027469 0.013852660 19 1 -0.002455167 -0.000588615 0.005555931 20 1 0.012603279 -0.016179249 -0.005633115 21 8 0.020084481 0.004554509 -0.011883440 22 6 0.002091973 0.001854500 -0.002108160 23 6 0.011495777 -0.011013890 -0.002098247 24 6 -0.007800382 0.016574853 0.003521293 25 6 0.005250931 0.013117426 -0.000482267 26 6 -0.003565416 -0.011779197 -0.000620308 27 6 -0.006496299 -0.002071721 -0.000111413 28 1 -0.005288324 -0.000101208 0.001041185 29 1 -0.002862447 -0.004881728 -0.000025580 30 1 0.003134030 -0.004730293 -0.000964921 31 1 0.005683889 -0.000984719 -0.000683968 32 1 -0.002115623 0.004729648 0.000840954 ------------------------------------------------------------------- Cartesian Forces: Max 0.037042467 RMS 0.010166758 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.031615593 RMS 0.006870025 Search for a local minimum. Step number 15 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 6 7 8 9 10 11 12 13 15 14 ITU= 0 1 1 1 1 1 1 1 1 -1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- -0.00625 0.00152 0.00283 0.01035 0.01333 Eigenvalues --- 0.01501 0.01557 0.01580 0.01700 0.01763 Eigenvalues --- 0.01826 0.01837 0.01930 0.02034 0.02083 Eigenvalues --- 0.02106 0.02117 0.02127 0.02133 0.02189 Eigenvalues --- 0.02523 0.02570 0.02601 0.02619 0.05123 Eigenvalues --- 0.05441 0.05704 0.05976 0.06685 0.08422 Eigenvalues --- 0.11046 0.15214 0.15776 0.15808 0.15983 Eigenvalues --- 0.15997 0.16000 0.16009 0.16069 0.16190 Eigenvalues --- 0.16366 0.18342 0.20097 0.20992 0.21715 Eigenvalues --- 0.22007 0.22080 0.23333 0.23707 0.24042 Eigenvalues --- 0.24297 0.24714 0.24994 0.25340 0.27203 Eigenvalues --- 0.27357 0.28715 0.29662 0.33189 0.33457 Eigenvalues --- 0.33792 0.33845 0.34229 0.35085 0.35350 Eigenvalues --- 0.35500 0.35633 0.37899 0.38372 0.38403 Eigenvalues --- 0.38438 0.38682 0.38726 0.40228 0.40499 Eigenvalues --- 0.43177 0.43942 0.45369 0.48643 0.49988 Eigenvalues --- 0.51327 0.51584 0.55368 0.55940 0.56074 Eigenvalues --- 0.58077 0.64813 0.73175 0.88460 0.90804 RFO step: Lambda=-7.57083774D-03 EMin=-6.25091970D-03 Quartic linear search produced a step of -0.92142. Iteration 1 RMS(Cart)= 0.22182339 RMS(Int)= 0.01535185 Iteration 2 RMS(Cart)= 0.05277998 RMS(Int)= 0.00141462 Iteration 3 RMS(Cart)= 0.00121385 RMS(Int)= 0.00127704 Iteration 4 RMS(Cart)= 0.00000128 RMS(Int)= 0.00127704 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00127704 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86141 0.00579 0.00816 0.03078 0.03894 2.90036 R2 2.64953 -0.00960 -0.00637 -0.02869 -0.03505 2.61448 R3 2.76306 0.00282 0.01156 -0.00570 0.00586 2.76892 R4 2.00934 0.01074 0.02750 0.01519 0.04269 2.05203 R5 2.03357 0.00246 0.00631 0.03467 0.04099 2.07456 R6 2.03138 0.00830 0.01957 0.02935 0.04892 2.08030 R7 2.03658 0.00599 0.01210 0.01439 0.02649 2.06306 R8 1.75622 0.02049 0.03190 0.01960 0.05150 1.80772 R9 2.55628 0.01628 0.03271 0.00567 0.03838 2.59466 R10 1.87561 -0.00033 -0.00254 -0.01636 -0.01890 1.85670 R11 2.64645 -0.00008 -0.01802 0.04821 0.03018 2.67663 R12 2.42503 0.00149 -0.00338 0.01319 0.00969 2.43473 R13 2.72273 0.00594 0.00932 -0.01080 -0.00170 2.72103 R14 2.57318 0.00099 0.00680 -0.03638 -0.02943 2.54375 R15 2.23357 0.03162 0.02661 0.01956 0.04616 2.27974 R16 2.64132 0.01875 0.01221 0.03265 0.04500 2.68632 R17 2.54947 -0.00535 -0.00302 -0.03487 -0.03778 2.51169 R18 2.52949 0.00532 0.00470 0.01123 0.01585 2.54534 R19 2.01957 0.00207 -0.00013 0.00152 0.00139 2.02096 R20 3.48563 0.02417 0.09088 0.00977 0.10065 3.58628 R21 2.21611 0.02360 0.02398 0.00774 0.03172 2.24783 R22 2.84339 0.00049 0.00500 -0.01528 -0.01028 2.83310 R23 2.64133 0.00059 -0.01372 0.06591 0.05222 2.69354 R24 2.61149 0.00389 0.01950 -0.01859 0.00102 2.61250 R25 2.57769 0.01205 0.03556 -0.05035 -0.01489 2.56280 R26 2.04139 -0.00538 -0.01290 -0.02467 -0.03757 2.00382 R27 2.64425 -0.00600 -0.02679 0.06697 0.04005 2.68430 R28 2.04593 -0.00564 -0.01259 -0.02968 -0.04226 2.00367 R29 2.58864 0.00915 0.02964 -0.06751 -0.03788 2.55076 R30 2.04660 -0.00575 -0.01262 -0.02875 -0.04137 2.00523 R31 2.64128 -0.00586 -0.02636 0.07000 0.04373 2.68501 R32 2.04483 -0.00562 -0.01199 -0.02274 -0.03474 2.01009 R33 2.03864 -0.00333 -0.00637 -0.02775 -0.03413 2.00451 A1 1.97267 0.00180 -0.02502 0.03594 0.00826 1.98093 A2 1.92848 0.01338 0.01880 -0.04843 -0.02834 1.90014 A3 1.89946 -0.00252 0.03133 -0.02796 0.00459 1.90405 A4 1.94598 -0.02180 -0.09242 -0.00276 -0.09549 1.85049 A5 1.91176 0.00451 0.01856 0.03019 0.04837 1.96013 A6 1.79678 0.00524 0.05331 0.01054 0.06612 1.86289 A7 1.90301 0.00332 0.02441 -0.01724 0.00675 1.90976 A8 1.93114 -0.00181 -0.01841 0.05486 0.03651 1.96765 A9 1.93990 -0.00162 -0.01851 -0.00624 -0.02448 1.91542 A10 1.88726 -0.00041 0.00312 -0.00556 -0.00302 1.88424 A11 1.90833 -0.00021 0.00914 -0.02113 -0.01221 1.89612 A12 1.89336 0.00074 0.00047 -0.00533 -0.00419 1.88917 A13 1.94637 -0.01002 -0.03439 -0.03602 -0.07042 1.87596 A14 1.97681 0.00704 0.01641 0.08728 0.10349 2.08030 A15 2.27754 -0.00587 -0.01615 -0.09189 -0.10812 2.16942 A16 2.02572 -0.00118 0.00197 -0.00173 0.00026 2.02598 A17 2.10981 -0.00019 0.01182 -0.04486 -0.03314 2.07667 A18 2.04984 -0.00033 -0.00819 0.01622 0.00787 2.05771 A19 2.12136 0.00079 -0.00170 0.02967 0.02718 2.14854 A20 2.13223 0.00156 -0.00323 -0.04657 -0.04986 2.08237 A21 2.19772 -0.01685 -0.03532 0.01776 -0.02080 2.17692 A22 2.04203 -0.00152 0.00803 0.03328 0.03833 2.08036 A23 2.04021 0.01893 0.03025 -0.04441 -0.01718 2.02302 A24 2.00188 0.02443 0.03815 0.02437 0.06269 2.06457 A25 2.15931 -0.02114 -0.02877 -0.01959 -0.04821 2.11110 A26 2.12118 -0.00327 -0.00864 -0.00728 -0.01556 2.10562 A27 2.10606 0.00471 0.00335 -0.00966 -0.00639 2.09967 A28 2.03968 -0.00366 -0.00733 0.07501 0.06771 2.10739 A29 2.13733 -0.00106 0.00406 -0.06552 -0.06139 2.07594 A30 2.04244 -0.00223 0.00314 -0.00201 0.00063 2.04307 A31 2.15637 -0.00106 -0.00505 -0.06351 -0.06845 2.08793 A32 2.08431 0.00329 0.00192 0.06520 0.06711 2.15142 A33 2.16148 0.00070 0.00316 -0.03593 -0.03913 2.12235 A34 1.97824 0.00432 0.02090 0.07003 0.08470 2.06294 A35 2.14283 -0.00500 -0.02353 -0.02786 -0.05759 2.08524 A36 2.04521 -0.00368 -0.01770 -0.01697 -0.03472 2.01049 A37 2.15663 0.00366 0.02313 0.01038 0.03344 2.19007 A38 2.08085 0.00002 -0.00501 0.00525 0.00033 2.08117 A39 2.09580 0.00082 0.00952 -0.01369 -0.00433 2.09147 A40 2.07200 -0.00015 0.00051 -0.03400 -0.03359 2.03841 A41 2.11537 -0.00067 -0.01002 0.04749 0.03732 2.15270 A42 2.10298 -0.00256 -0.00808 0.00803 -0.00022 2.10276 A43 2.09097 0.00173 -0.00219 0.04823 0.04612 2.13709 A44 2.08924 0.00083 0.01027 -0.05626 -0.04590 2.04334 A45 2.09670 -0.00037 -0.00500 0.00924 0.00414 2.10084 A46 2.08844 0.00015 0.00959 -0.03903 -0.02943 2.05901 A47 2.09796 0.00022 -0.00453 0.02947 0.02494 2.12291 A48 2.08221 0.00346 0.01388 -0.00318 0.01072 2.09293 A49 2.09954 -0.00029 -0.00382 0.05282 0.04888 2.14843 A50 2.10137 -0.00316 -0.01001 -0.04997 -0.06011 2.04126 A51 2.10748 -0.00136 -0.00503 -0.00709 -0.01252 2.09496 A52 2.08876 0.00482 0.03555 0.05062 0.08505 2.17381 A53 2.08618 -0.00346 -0.03001 -0.04675 -0.07721 2.00898 D1 3.12790 0.00720 0.04825 0.04156 0.08999 -3.06529 D2 1.05441 0.00673 0.04065 0.02609 0.06650 1.12091 D3 -1.05038 0.00810 0.06369 0.00010 0.06411 -0.98628 D4 -0.96093 -0.00980 -0.07539 0.02705 -0.04797 -1.00889 D5 -3.03442 -0.01027 -0.08299 0.01158 -0.07146 -3.10588 D6 1.14397 -0.00891 -0.05996 -0.01441 -0.07386 1.07012 D7 0.99988 0.00205 0.01922 -0.00093 0.01802 1.01789 D8 -1.07362 0.00158 0.01162 -0.01640 -0.00548 -1.07910 D9 3.10478 0.00294 0.03465 -0.04240 -0.00787 3.09690 D10 -1.03764 0.00027 -0.02885 -0.02272 -0.05318 -1.09082 D11 3.06062 -0.00165 0.02983 0.01621 0.04678 3.10740 D12 1.08347 0.00150 0.00737 -0.01257 -0.00433 1.07913 D13 1.37102 0.00422 -0.01362 0.08370 0.06813 1.43915 D14 -1.72781 0.00340 -0.05705 0.14966 0.09091 -1.63690 D15 -2.70286 0.00035 -0.09676 0.09168 -0.00399 -2.70685 D16 0.48149 -0.00048 -0.14019 0.15765 0.01879 0.50028 D17 -0.65483 -0.00151 -0.09121 0.13165 0.04094 -0.61389 D18 2.52952 -0.00234 -0.13464 0.19762 0.06372 2.59324 D19 -3.09605 -0.00212 -0.03689 0.02637 -0.00879 -3.10484 D20 -0.02430 0.00226 0.04078 0.04421 0.08480 0.06051 D21 -0.04385 -0.00234 0.00694 -0.06299 -0.05587 -0.09972 D22 3.02791 0.00204 0.08461 -0.04515 0.03772 3.06563 D23 -0.15217 -0.00022 0.09585 -0.03054 0.06468 -0.08749 D24 3.02683 -0.00061 0.07111 -0.21409 -0.14394 2.88289 D25 2.89800 -0.00011 0.14095 -0.11843 0.02348 2.92149 D26 -0.20618 -0.00050 0.11621 -0.30198 -0.18513 -0.39132 D27 3.10695 0.00122 0.03773 -0.01671 0.01998 3.12693 D28 0.03809 -0.00329 -0.04321 -0.03458 -0.07781 -0.03973 D29 -3.11201 -0.00302 -0.03777 -0.05535 -0.09370 3.07747 D30 0.04152 -0.00213 -0.03842 -0.02421 -0.06494 -0.02343 D31 -0.04074 0.00135 0.04033 -0.04055 0.00143 -0.03931 D32 3.11278 0.00224 0.03968 -0.00941 0.03019 -3.14021 D33 -3.05420 -0.00542 -0.07479 0.02082 -0.05601 -3.11022 D34 -0.00183 0.00337 0.00805 0.11027 0.11817 0.11634 D35 -3.13232 -0.00190 -0.01189 -0.05179 -0.06361 3.08725 D36 -0.03246 -0.00160 0.03055 -0.11652 -0.08721 -0.11967 D37 -0.07172 0.00430 0.06333 0.03225 0.09500 0.02328 D38 3.02814 0.00460 0.10577 -0.03247 0.07140 3.09954 D39 3.12497 0.00134 0.01374 -0.02411 -0.01051 3.11446 D40 -0.03276 0.00110 0.02146 -0.03641 -0.01494 -0.04770 D41 0.02896 -0.00014 -0.03244 0.04550 0.01099 0.03995 D42 -3.12877 -0.00038 -0.02473 0.03320 0.00656 -3.12221 D43 0.00664 0.00025 -0.00199 0.03196 0.02980 0.03644 D44 3.13681 -0.00063 -0.00141 0.00127 -0.00109 3.13573 D45 -3.11789 0.00053 -0.01010 0.04361 0.03293 -3.08496 D46 0.01229 -0.00036 -0.00952 0.01292 0.00205 0.01433 D47 2.80636 -0.00081 0.14170 -0.22419 -0.08286 2.72351 D48 -0.36956 -0.00074 0.16385 -0.27013 -0.10719 -0.47675 D49 -0.29828 -0.00133 0.11709 -0.40528 -0.28727 -0.58555 D50 2.80899 -0.00126 0.13924 -0.45122 -0.31161 2.49738 D51 3.13646 0.00000 0.00470 0.01809 0.02246 -3.12426 D52 -0.01122 0.00016 0.00969 -0.01820 -0.00776 -0.01898 D53 0.02764 -0.00014 -0.01662 0.06182 0.04443 0.07207 D54 -3.12004 0.00002 -0.01163 0.02553 0.01421 -3.10583 D55 -3.12285 -0.00001 -0.01328 -0.00454 -0.01610 -3.13894 D56 -0.02337 -0.00005 0.00523 -0.09481 -0.09146 -0.11482 D57 -0.01624 -0.00001 0.00923 -0.05178 -0.04195 -0.05819 D58 3.08324 -0.00004 0.02774 -0.14205 -0.11731 2.96593 D59 -0.01677 0.00013 0.01036 -0.02864 -0.01783 -0.03460 D60 3.12654 0.00018 0.00997 -0.03019 -0.02004 3.10649 D61 3.13106 -0.00003 0.00524 0.00886 0.01473 -3.13740 D62 -0.00882 0.00001 0.00485 0.00731 0.01252 0.00370 D63 -0.00594 0.00008 0.00358 -0.01561 -0.01148 -0.01741 D64 -3.13383 -0.00012 -0.00556 0.01138 0.00550 -3.12833 D65 3.13394 0.00004 0.00396 -0.01396 -0.00929 3.12465 D66 0.00605 -0.00016 -0.00519 0.01302 0.00768 0.01374 D67 0.01728 -0.00021 -0.01095 0.02592 0.01415 0.03143 D68 -3.11253 -0.00029 -0.01815 0.05849 0.03991 -3.07263 D69 -3.13809 -0.00001 -0.00172 -0.00176 -0.00390 3.14120 D70 0.01528 -0.00009 -0.00892 0.03082 0.02186 0.03714 D71 -0.00611 0.00019 0.00451 0.00815 0.01311 0.00700 D72 -3.10565 0.00003 -0.01478 0.09596 0.07786 -3.02779 D73 3.12369 0.00029 0.01174 -0.02375 -0.01037 3.11331 D74 0.02415 0.00013 -0.00755 0.06406 0.05438 0.07853 Item Value Threshold Converged? Maximum Force 0.031616 0.000450 NO RMS Force 0.006870 0.000300 NO Maximum Displacement 0.844733 0.001800 NO RMS Displacement 0.229732 0.001200 NO Predicted change in Energy=-6.441220D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.557365 -6.512233 1.179456 2 6 0 7.792689 -6.783123 2.049063 3 8 0 5.532809 -7.420454 1.378342 4 7 0 4.600424 -1.494731 2.352916 5 6 0 5.123708 -2.734331 2.079428 6 7 0 6.066568 -2.835408 1.207203 7 6 0 6.596082 -4.045186 0.946391 8 8 0 7.500425 -4.247545 0.174005 9 7 0 6.008639 -5.199972 1.531334 10 6 0 5.037361 -5.084000 2.431195 11 6 0 4.564175 -3.868626 2.767634 12 1 0 6.861303 -6.455169 0.138535 13 1 0 8.529018 -5.983298 1.896473 14 1 0 8.278651 -7.741799 1.811065 15 1 0 3.903122 -1.409845 3.039881 16 6 0 5.103773 -0.281318 1.823296 17 1 0 4.606412 -5.951050 2.885307 18 35 0 3.174851 -3.606266 4.033535 19 1 0 7.506268 -6.797405 3.102450 20 1 0 5.859936 -8.282850 1.124667 21 8 0 6.089981 -0.252838 1.158842 22 6 0 4.248665 0.945716 1.927319 23 6 0 4.955489 2.182873 1.888639 24 6 0 4.276067 3.351677 1.995841 25 6 0 2.859754 3.354417 2.104433 26 6 0 2.171358 2.193568 2.081995 27 6 0 2.867565 0.958576 1.987664 28 1 0 6.011425 2.127776 1.808906 29 1 0 4.762488 4.293783 2.003507 30 1 0 2.367709 4.291994 2.173889 31 1 0 1.108769 2.148010 2.098668 32 1 0 2.252153 0.103058 1.867121 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.534804 0.000000 3 O 1.383522 2.441948 0.000000 4 N 5.511984 6.184657 6.077280 0.000000 5 C 4.139791 4.849444 4.755905 1.373037 0.000000 6 N 3.709542 4.390066 4.619181 2.293393 1.288402 7 C 2.478334 3.184973 3.565047 3.530693 2.273764 8 O 2.651246 3.167083 3.922918 4.553642 3.401359 9 N 1.465247 2.440747 2.276040 4.048071 2.676359 10 C 2.432512 3.259583 2.610169 3.616614 2.377423 11 C 3.672026 4.408395 3.934954 2.410121 1.439906 12 H 1.085888 2.150616 2.057618 5.883963 4.542130 13 H 2.163631 1.097809 3.363204 5.982427 4.710138 14 H 2.207621 1.100845 2.798242 7.269720 5.924561 15 H 6.044879 6.706905 6.445465 0.982525 2.041216 16 C 6.430534 7.039511 7.165844 1.416414 2.466429 17 H 2.651617 3.397648 2.299631 4.488013 3.356236 18 Br 5.294507 5.946005 5.211338 3.052101 2.894278 19 H 2.163249 1.091726 2.693562 6.092954 4.819931 20 H 1.903810 2.615191 0.956604 7.012385 5.677999 21 O 6.276855 6.807080 7.192589 2.277475 2.817618 22 C 7.842856 8.503522 8.481933 2.502128 3.785707 23 C 8.869827 9.405559 9.634189 3.723761 4.923778 24 C 10.157142 10.727705 10.862758 4.870357 6.145321 25 C 10.577273 11.274158 11.125209 5.158091 6.496073 26 C 9.789924 10.591574 10.209010 4.424625 5.744611 27 C 8.371429 9.175758 8.813793 3.025710 4.328529 28 H 8.680093 9.090363 9.569909 3.925484 4.949880 29 H 10.985019 11.483991 11.756172 5.801314 7.037800 30 H 11.630711 12.333053 12.158626 6.205098 7.548091 31 H 10.272876 11.155376 10.566291 5.052312 6.321183 32 H 7.922740 8.840257 8.222216 2.881545 4.042484 6 7 8 9 10 6 N 0.000000 7 C 1.346095 0.000000 8 O 2.262206 1.206386 0.000000 9 N 2.387380 1.421540 2.230445 0.000000 10 C 2.759274 2.390269 3.444017 1.329128 0.000000 11 C 2.399931 2.734364 3.935995 2.321077 1.346934 12 H 3.856985 2.555581 2.298551 2.059720 3.234682 13 H 4.055610 2.897443 2.652874 2.664439 3.645042 14 H 5.415777 4.152547 3.936421 3.419370 4.237266 15 H 3.173553 4.310424 5.404293 4.590641 3.893124 16 C 2.798199 4.142783 4.918848 5.009709 4.841457 17 H 3.828227 3.369050 4.316063 2.088924 1.069444 18 Br 4.116358 4.629031 5.832478 4.102592 2.867077 19 H 4.621917 3.612719 3.882990 2.695012 3.079260 20 H 5.451985 4.304822 4.458548 3.113138 3.551942 21 O 2.583129 3.831864 4.349361 4.961804 5.105587 22 C 4.256786 5.601936 6.373226 6.404982 6.101918 23 C 5.184785 6.509079 7.125093 7.466137 7.287559 24 C 6.489057 7.822877 8.453624 8.737750 8.481141 25 C 7.028699 8.369906 9.113298 9.133536 8.720987 26 C 6.420943 7.732388 8.574807 8.348196 7.829362 27 C 5.023650 6.326431 7.201143 6.928369 6.435640 28 H 4.999828 6.260289 6.747944 7.333004 7.303818 29 H 7.291096 8.603370 9.154107 9.586826 9.391554 30 H 8.088009 9.428386 10.162088 10.186592 9.752051 31 H 7.085826 8.354282 9.244497 8.850053 8.236892 32 H 4.860024 6.076627 7.024155 6.507386 5.914485 11 12 13 14 15 11 C 0.000000 12 H 4.345017 0.000000 13 H 4.577198 2.468660 0.000000 14 H 5.451039 2.541978 1.778286 0.000000 15 H 2.560608 6.528702 6.604754 7.794158 0.000000 16 C 3.748562 6.636549 6.652085 8.107946 2.048222 17 H 2.086174 3.589350 4.045451 4.224467 4.597941 18 Br 1.897777 6.072660 6.235737 6.934751 2.518332 19 H 4.164824 3.052523 1.778529 1.776550 6.481696 20 H 4.885050 2.305561 3.606608 2.571782 7.398336 21 O 4.241488 6.332842 6.271457 7.829445 3.107945 22 C 4.897301 8.049766 8.144544 9.577433 2.627900 23 C 6.127512 9.017249 8.913839 10.466544 3.916689 24 C 7.267148 10.310542 10.258617 11.794916 4.888885 25 C 7.450989 10.775209 10.925965 12.352187 4.966072 26 C 6.553309 10.028623 10.359314 11.665502 4.111099 27 C 5.175782 8.621650 8.958236 10.247320 2.790870 28 H 6.242638 8.785180 8.493260 10.126640 4.298256 29 H 8.200496 11.109596 10.946077 12.540162 5.860371 30 H 8.471877 11.825251 11.984169 13.412048 5.968115 31 H 6.970456 10.533209 11.009957 12.218767 4.620890 32 H 4.683016 8.200160 8.743205 9.892604 2.527833 16 17 18 19 20 16 C 0.000000 17 H 5.789741 0.000000 18 Br 4.434092 2.977550 0.000000 19 H 7.061700 3.028636 5.459987 0.000000 20 H 8.067489 3.179382 6.127122 2.971293 0.000000 21 O 1.189502 6.136064 5.292194 6.972434 8.033380 22 C 1.499214 6.972166 5.129304 8.482265 9.402493 23 C 2.469513 8.202190 6.425371 9.414096 10.532476 24 C 3.730083 9.350990 7.333338 10.708064 11.774116 25 C 4.281732 9.500121 7.229926 11.209175 12.057654 26 C 3.845912 8.538712 6.201095 10.504294 11.147978 27 C 2.562222 7.181385 5.011766 9.105798 9.752077 28 H 2.574446 8.270437 6.773062 9.141480 10.434188 29 H 4.591351 10.283897 8.309777 11.478260 12.654978 30 H 5.340799 10.508942 8.154280 12.257315 13.092869 31 H 4.683751 8.857036 6.412808 11.043370 11.503266 32 H 2.877742 6.575064 4.393610 8.760602 9.159192 21 22 23 24 25 21 O 0.000000 22 C 2.327559 0.000000 23 C 2.784307 1.425362 0.000000 24 C 4.121089 2.407093 1.356174 0.000000 25 C 4.933639 2.786088 2.410640 1.420472 0.000000 26 C 4.710914 2.428222 2.790858 2.403838 1.349802 27 C 3.540965 1.382478 2.422424 2.776847 2.398697 28 H 2.469023 2.125703 1.060375 2.131748 3.394851 29 H 4.811180 3.388123 2.122825 1.060297 2.124380 30 H 5.961637 3.846605 3.350576 2.134883 1.061123 31 H 5.608905 3.366574 3.852607 3.389862 2.126359 32 H 3.918832 2.167892 3.410883 3.829663 3.316147 26 27 28 29 30 26 C 0.000000 27 C 1.420847 0.000000 28 H 3.850328 3.358995 0.000000 29 H 3.336319 3.835961 2.507848 0.000000 30 H 2.109595 3.375827 4.253671 2.400833 0.000000 31 H 1.063696 2.126132 4.911254 4.238286 2.487419 32 H 2.103076 1.060742 4.270246 4.886979 4.201743 31 32 31 H 0.000000 32 H 2.354309 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.433623 -0.914669 -0.414328 2 6 0 -5.033298 -1.239442 0.960640 3 8 0 -4.989687 0.204302 -1.008322 4 7 0 0.971760 0.001638 0.155041 5 6 0 -0.375012 -0.244517 0.050910 6 7 0 -0.778080 -1.459341 -0.096457 7 6 0 -2.097865 -1.709942 -0.182128 8 8 0 -2.583129 -2.809190 -0.289553 9 7 0 -3.007587 -0.619832 -0.251724 10 6 0 -2.581022 0.629437 -0.096960 11 6 0 -1.270372 0.882714 0.082696 12 1 0 -4.500867 -1.794018 -1.047870 13 1 0 -4.493575 -2.086719 1.403365 14 1 0 -6.099820 -1.506917 0.907270 15 1 0 1.280784 0.923162 0.298754 16 6 0 1.964099 -1.006418 0.227936 17 1 0 -3.266631 1.449475 -0.131437 18 35 0 -0.568788 2.632273 0.302651 19 1 0 -4.930061 -0.376401 1.621222 20 1 0 -5.917571 0.021902 -1.152721 21 8 0 1.678028 -2.159282 0.291057 22 6 0 3.392450 -0.612204 -0.000209 23 6 0 4.361717 -1.478189 0.584811 24 6 0 5.682353 -1.198943 0.453858 25 6 0 6.109387 -0.071982 -0.298034 26 6 0 5.205622 0.723494 -0.908273 27 6 0 3.817219 0.456282 -0.767772 28 1 0 3.992748 -2.304236 1.137896 29 1 0 6.436987 -1.796840 0.898015 30 1 0 7.152512 0.102211 -0.384806 31 1 0 5.478618 1.541367 -1.531176 32 1 0 3.180175 1.059841 -1.363646 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4886127 0.1424825 0.1143394 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1891.8907730693 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= 339 RedAO= T EigKep= 4.55D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999830 0.015230 0.002045 -0.010204 Ang= 2.11 deg. B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999811 0.014986 0.003872 -0.011773 Ang= 2.23 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) = -3457.10467818 A.U. after 15 cycles NFock= 15 Conv=0.63D-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 0.019582121 0.009616125 -0.000354667 2 6 0.005925279 0.000049261 0.001620193 3 8 0.003382855 -0.016419503 -0.002984253 4 7 0.016973335 0.022077243 -0.010874673 5 6 -0.002086581 0.010466907 0.002626617 6 7 -0.005560763 -0.009304053 0.011991876 7 6 0.010561439 -0.026071284 -0.027669540 8 8 -0.004850117 0.008213399 0.010968132 9 7 0.004943574 0.004378861 -0.003696076 10 6 -0.018948467 0.010774044 0.015514977 11 6 0.000341789 0.008712098 -0.002241136 12 1 -0.005430278 -0.000015845 0.004582549 13 1 -0.007528788 -0.008890892 0.000418504 14 1 -0.006777772 0.008086546 -0.000151857 15 1 -0.009522764 -0.002989828 0.007285466 16 6 -0.005572234 -0.018468965 -0.033944130 17 1 0.005592732 -0.005600801 -0.003991019 18 35 0.001243082 -0.008126620 -0.000013114 19 1 0.001110866 -0.001055397 -0.004133448 20 1 -0.006710194 0.006969105 0.003491972 21 8 0.000717924 0.009997734 0.015479138 22 6 -0.000415822 0.011192577 0.009863010 23 6 -0.013301459 -0.025493909 0.007346452 24 6 -0.028129008 0.003315483 0.002474155 25 6 0.029631201 0.009269938 -0.002358168 26 6 0.009305060 -0.034801347 -0.004636419 27 6 0.000921707 0.025194748 -0.001318521 28 1 0.009867639 0.003854489 -0.001574257 29 1 0.009932297 0.008019697 -0.001059724 30 1 -0.007379697 0.008919124 0.001230023 31 1 -0.008981158 0.004416002 0.001522499 32 1 0.001162203 -0.016284936 0.004585438 ------------------------------------------------------------------- Cartesian Forces: Max 0.034801347 RMS 0.011605733 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.032570907 RMS 0.007537760 Search for a local minimum. Step number 16 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Iteration 1 RMS(Cart)= 0.20228652 RMS(Int)= 0.01261038 Iteration 2 RMS(Cart)= 0.03843043 RMS(Int)= 0.00028706 Iteration 3 RMS(Cart)= 0.00071110 RMS(Int)= 0.00000013 Iteration 4 RMS(Cart)= 0.00000024 RMS(Int)= 0.00000000 Update second derivatives using D2CorX and points 6 7 8 9 10 11 12 13 15 14 DE= 9.38D-03 DEPred=-6.44D-03 R=-1.46D+00 Trust test=-1.46D+00 RLast= 6.01D-01 DXMaxT set to 3.51D-01 ITU= -1 0 1 1 1 1 1 1 1 1 -1 1 1 0 1 0 Use linear search instead of GDIIS. Energy rises -- skip Quadratic/GDIIS search. Quartic linear search produced a step of -0.92142. Iteration 1 RMS(Cart)= 0.14488432 RMS(Int)= 0.00590300 Iteration 2 RMS(Cart)= 0.01012222 RMS(Int)= 0.00112822 Iteration 3 RMS(Cart)= 0.00005892 RMS(Int)= 0.00112801 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00112801 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86141 0.00579 0.00816 0.00000 0.04711 2.90852 R2 2.64953 -0.00960 -0.00637 0.00000 -0.04142 2.60811 R3 2.76306 0.00282 0.01156 0.00000 0.01742 2.78048 R4 2.00934 0.01074 0.02750 0.00000 0.07020 2.07953 R5 2.03357 0.00246 0.00631 0.00000 0.04730 2.08087 R6 2.03138 0.00830 0.01957 0.00000 0.06849 2.09987 R7 2.03658 0.00599 0.01210 0.00000 0.03859 2.07516 R8 1.75622 0.02049 0.03190 0.00000 0.08339 1.83962 R9 2.55628 0.01628 0.03271 0.00000 0.07109 2.62737 R10 1.87561 -0.00033 -0.00254 0.00000 -0.02145 1.85416 R11 2.64645 -0.00008 -0.01802 0.00000 0.01216 2.65861 R12 2.42503 0.00149 -0.00338 0.00000 0.00637 2.43140 R13 2.72273 0.00594 0.00932 0.00000 0.00729 2.73002 R14 2.57318 0.00099 0.00680 0.00000 -0.02228 2.55090 R15 2.23357 0.03162 0.02661 0.00000 0.07277 2.30635 R16 2.64132 0.01875 0.01221 0.00000 0.05758 2.69890 R17 2.54947 -0.00535 -0.00302 0.00000 -0.04083 2.50864 R18 2.52949 0.00532 0.00470 0.00000 0.02014 2.54963 R19 2.01957 0.00207 -0.00013 0.00000 0.00126 2.02083 R20 3.48563 0.02417 0.09088 0.00000 0.19153 3.67716 R21 2.21611 0.02360 0.02398 0.00000 0.05570 2.27181 R22 2.84339 0.00049 0.00500 0.00000 -0.00529 2.83810 R23 2.64133 0.00059 -0.01372 0.00000 0.03852 2.67985 R24 2.61149 0.00389 0.01950 0.00000 0.02052 2.63200 R25 2.57769 0.01205 0.03556 0.00000 0.02070 2.59838 R26 2.04139 -0.00538 -0.01290 0.00000 -0.05047 1.99092 R27 2.64425 -0.00600 -0.02679 0.00000 0.01326 2.65751 R28 2.04593 -0.00564 -0.01259 0.00000 -0.05485 1.99108 R29 2.58864 0.00915 0.02964 0.00000 -0.00826 2.58038 R30 2.04660 -0.00575 -0.01262 0.00000 -0.05399 1.99261 R31 2.64128 -0.00586 -0.02636 0.00000 0.01735 2.65863 R32 2.04483 -0.00562 -0.01199 0.00000 -0.04673 1.99810 R33 2.03864 -0.00333 -0.00637 0.00000 -0.04050 1.99814 A1 1.97267 0.00180 -0.02502 0.00000 -0.02171 1.95096 A2 1.92848 0.01338 0.01880 0.00000 -0.01382 1.91466 A3 1.89946 -0.00252 0.03133 0.00000 0.03510 1.93457 A4 1.94598 -0.02180 -0.09242 0.00000 -0.18952 1.75646 A5 1.91176 0.00451 0.01856 0.00000 0.06953 1.98130 A6 1.79678 0.00524 0.05331 0.00000 0.12097 1.91775 A7 1.90301 0.00332 0.02441 0.00000 0.03112 1.93413 A8 1.93114 -0.00181 -0.01841 0.00000 0.01802 1.94916 A9 1.93990 -0.00162 -0.01851 0.00000 -0.04268 1.89722 A10 1.88726 -0.00041 0.00312 0.00000 -0.00028 1.88698 A11 1.90833 -0.00021 0.00914 0.00000 -0.00273 1.90560 A12 1.89336 0.00074 0.00047 0.00000 -0.00347 1.88989 A13 1.94637 -0.01002 -0.03439 0.00000 -0.10481 1.84156 A14 1.97681 0.00704 0.01641 0.00000 0.12056 2.09737 A15 2.27754 -0.00587 -0.01615 0.00000 -0.12365 2.15389 A16 2.02572 -0.00118 0.00197 0.00000 0.00281 2.02853 A17 2.10981 -0.00019 0.01182 0.00000 -0.02368 2.08614 A18 2.04984 -0.00033 -0.00819 0.00000 -0.00264 2.04720 A19 2.12136 0.00079 -0.00170 0.00000 0.02389 2.14525 A20 2.13223 0.00156 -0.00323 0.00000 -0.05135 2.08088 A21 2.19772 -0.01685 -0.03532 0.00000 -0.06023 2.13749 A22 2.04203 -0.00152 0.00803 0.00000 0.04416 2.08620 A23 2.04021 0.01893 0.03025 0.00000 0.00829 2.04849 A24 2.00188 0.02443 0.03815 0.00000 0.10058 2.10246 A25 2.15931 -0.02114 -0.02877 0.00000 -0.07723 2.08208 A26 2.12118 -0.00327 -0.00864 0.00000 -0.02275 2.09843 A27 2.10606 0.00471 0.00335 0.00000 -0.00264 2.10342 A28 2.03968 -0.00366 -0.00733 0.00000 0.06021 2.09989 A29 2.13733 -0.00106 0.00406 0.00000 -0.05752 2.07981 A30 2.04244 -0.00223 0.00314 0.00000 0.00384 2.04628 A31 2.15637 -0.00106 -0.00505 0.00000 -0.07353 2.08284 A32 2.08431 0.00329 0.00192 0.00000 0.06901 2.15332 A33 2.16148 0.00070 0.00316 0.00000 -0.03759 2.12389 A34 1.97824 0.00432 0.02090 0.00000 0.10419 2.08243 A35 2.14283 -0.00500 -0.02353 0.00000 -0.08238 2.06046 A36 2.04521 -0.00368 -0.01770 0.00000 -0.05227 1.99293 A37 2.15663 0.00366 0.02313 0.00000 0.05674 2.21337 A38 2.08085 0.00002 -0.00501 0.00000 -0.00453 2.07632 A39 2.09580 0.00082 0.00952 0.00000 0.00528 2.10107 A40 2.07200 -0.00015 0.00051 0.00000 -0.03306 2.03894 A41 2.11537 -0.00067 -0.01002 0.00000 0.02734 2.14272 A42 2.10298 -0.00256 -0.00808 0.00000 -0.00829 2.09469 A43 2.09097 0.00173 -0.00219 0.00000 0.04393 2.13489 A44 2.08924 0.00083 0.01027 0.00000 -0.03563 2.05360 A45 2.09670 -0.00037 -0.00500 0.00000 -0.00084 2.09586 A46 2.08844 0.00015 0.00959 0.00000 -0.01977 2.06867 A47 2.09796 0.00022 -0.00453 0.00000 0.02048 2.11844 A48 2.08221 0.00346 0.01388 0.00000 0.02459 2.10680 A49 2.09954 -0.00029 -0.00382 0.00000 0.04516 2.14470 A50 2.10137 -0.00316 -0.01001 0.00000 -0.07005 2.03132 A51 2.10748 -0.00136 -0.00503 0.00000 -0.01720 2.09028 A52 2.08876 0.00482 0.03555 0.00000 0.12096 2.20973 A53 2.08618 -0.00346 -0.03001 0.00000 -0.10675 1.97943 D1 -3.15528 0.00720 0.04825 0.00000 0.13849 -3.01679 D2 1.05441 0.00673 0.04065 0.00000 0.10704 1.16145 D3 -1.05038 0.00810 0.06369 0.00000 0.12781 -0.92257 D4 -0.96093 -0.00980 -0.07539 0.00000 -0.12295 -1.08388 D5 -3.03442 -0.01027 -0.08299 0.00000 -0.15441 3.09435 D6 1.14397 -0.00891 -0.05996 0.00000 -0.13363 1.01034 D7 0.99988 0.00205 0.01922 0.00000 0.03717 1.03705 D8 -1.07362 0.00158 0.01162 0.00000 0.00571 -1.06790 D9 3.10478 0.00294 0.03465 0.00000 0.02649 3.13127 D10 -1.03764 0.00027 -0.02885 0.00000 -0.07963 -1.11727 D11 3.06062 -0.00165 0.02983 0.00000 0.07393 3.13455 D12 1.08347 0.00150 0.00737 0.00000 0.00333 1.08680 D13 1.37102 0.00422 -0.01362 0.00000 0.05340 1.42442 D14 -1.72781 0.00340 -0.05705 0.00000 0.03246 -1.69535 D15 -2.70286 0.00035 -0.09676 0.00000 -0.09774 -2.80060 D16 0.48149 -0.00048 -0.14019 0.00000 -0.11869 0.36281 D17 -0.65483 -0.00151 -0.09121 0.00000 -0.05174 -0.70657 D18 2.52952 -0.00234 -0.13464 0.00000 -0.07268 2.45684 D19 -3.09605 -0.00212 -0.03689 0.00000 -0.04539 -3.14144 D20 -0.02430 0.00226 0.04078 0.00000 0.12444 0.10014 D21 -0.04385 -0.00234 0.00694 0.00000 -0.04779 -0.09163 D22 3.02791 0.00204 0.08461 0.00000 0.12204 -3.13324 D23 -0.15217 -0.00022 0.09585 0.00000 0.16174 0.00957 D24 3.02683 -0.00061 0.07111 0.00000 -0.07311 2.95373 D25 2.89800 -0.00011 0.14095 0.00000 0.16471 3.06271 D26 -0.20618 -0.00050 0.11621 0.00000 -0.07013 -0.27632 D27 3.10695 0.00122 0.03773 0.00000 0.05862 -3.11761 D28 0.03809 -0.00329 -0.04321 0.00000 -0.11997 -0.08188 D29 3.17118 -0.00302 -0.03777 0.00000 -0.13158 3.03960 D30 0.04152 -0.00213 -0.03842 0.00000 -0.10350 -0.06199 D31 -0.04074 0.00135 0.04033 0.00000 0.04240 0.00165 D32 -3.17040 0.00224 0.03968 0.00000 0.07047 -3.09993 D33 -3.05420 -0.00542 -0.07479 0.00000 -0.12698 3.10200 D34 -0.00183 0.00337 0.00805 0.00000 0.12536 0.12354 D35 3.15086 -0.00190 -0.01189 0.00000 -0.07631 3.07455 D36 -0.03246 -0.00160 0.03055 0.00000 -0.05661 -0.08906 D37 -0.07172 0.00430 0.06333 0.00000 0.15959 0.08787 D38 3.02814 0.00460 0.10577 0.00000 0.17930 -3.07575 D39 3.12497 0.00134 0.01374 0.00000 0.00320 3.12817 D40 -0.03276 0.00110 0.02146 0.00000 0.00658 -0.02618 D41 0.02896 -0.00014 -0.03244 0.00000 -0.02062 0.00834 D42 -3.12877 -0.00038 -0.02473 0.00000 -0.01723 3.13718 D43 0.00664 0.00025 -0.00199 0.00000 0.02781 0.03445 D44 3.13681 -0.00063 -0.00141 0.00000 -0.00253 3.13428 D45 -3.11789 0.00053 -0.01010 0.00000 0.02336 -3.09453 D46 0.01229 -0.00036 -0.00952 0.00000 -0.00699 0.00530 D47 2.80636 -0.00081 0.14170 0.00000 0.05803 2.86439 D48 -0.36956 -0.00074 0.16385 0.00000 0.05568 -0.31388 D49 -0.29828 -0.00133 0.11709 0.00000 -0.16921 -0.46748 D50 2.80899 -0.00126 0.13924 0.00000 -0.17156 2.63743 D51 -3.14673 0.00000 0.00470 0.00000 0.02703 -3.11970 D52 -0.01122 0.00016 0.00969 0.00000 0.00164 -0.00958 D53 0.02764 -0.00014 -0.01662 0.00000 0.02781 0.05545 D54 -3.12004 0.00002 -0.01163 0.00000 0.00243 -3.11761 D55 -3.12285 -0.00001 -0.01328 0.00000 -0.02941 3.13093 D56 -0.02337 -0.00005 0.00523 0.00000 -0.08672 -0.11008 D57 -0.01624 -0.00001 0.00923 0.00000 -0.03266 -0.04891 D58 3.08324 -0.00004 0.02774 0.00000 -0.08997 2.99327 D59 -0.01677 0.00013 0.01036 0.00000 -0.00741 -0.02418 D60 3.12654 0.00018 0.00997 0.00000 -0.00999 3.11655 D61 -3.15212 -0.00003 0.00524 0.00000 0.01975 -3.13237 D62 -0.00882 0.00001 0.00485 0.00000 0.01717 0.00835 D63 -0.00594 0.00008 0.00358 0.00000 -0.00801 -0.01395 D64 -3.13383 -0.00012 -0.00556 0.00000 -0.00003 -3.13386 D65 3.13394 0.00004 0.00396 0.00000 -0.00547 3.12847 D66 0.00605 -0.00016 -0.00519 0.00000 0.00251 0.00856 D67 0.01728 -0.00021 -0.01095 0.00000 0.00307 0.02035 D68 -3.11253 -0.00029 -0.01815 0.00000 0.02136 -3.09118 D69 3.14509 -0.00001 -0.00172 0.00000 -0.00546 3.13963 D70 0.01528 -0.00009 -0.00892 0.00000 0.01282 0.02811 D71 -0.00611 0.00019 0.00451 0.00000 0.01778 0.01167 D72 -3.10565 0.00003 -0.01478 0.00000 0.06266 -3.04299 D73 3.12369 0.00029 0.01174 0.00000 0.00139 3.12507 D74 0.02415 0.00013 -0.00755 0.00000 0.04627 0.07041 Item Value Threshold Converged? Maximum Force 0.032571 0.000450 NO RMS Force 0.007538 0.000300 NO Maximum Displacement 0.642246 0.001800 NO RMS Displacement 0.147322 0.001200 NO Predicted change in Energy=-1.297657D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.644965 -6.513433 1.168308 2 6 0 7.823080 -6.843774 2.102022 3 8 0 5.550517 -7.315296 1.421338 4 7 0 4.547435 -1.511552 2.325775 5 6 0 5.149110 -2.739986 2.076782 6 7 0 6.157746 -2.802217 1.280401 7 6 0 6.719752 -4.001840 1.021132 8 8 0 7.651844 -4.134589 0.244525 9 7 0 6.097435 -5.191005 1.509349 10 6 0 5.031927 -5.112658 2.297289 11 6 0 4.518787 -3.912348 2.638311 12 1 0 6.964473 -6.525928 0.115344 13 1 0 8.639166 -6.115475 1.975073 14 1 0 8.231435 -7.858177 1.904521 15 1 0 3.777799 -1.453187 2.931555 16 6 0 5.045662 -0.291141 1.834178 17 1 0 4.562486 -6.002259 2.660329 18 35 0 2.954932 -3.701086 3.776791 19 1 0 7.468826 -6.811287 3.140934 20 1 0 5.836890 -8.221224 1.209313 21 8 0 6.033095 -0.241731 1.150220 22 6 0 4.202644 0.946567 1.948098 23 6 0 4.917650 2.156197 1.756748 24 6 0 4.275031 3.367500 1.858842 25 6 0 2.894993 3.411450 2.125718 26 6 0 2.188019 2.251896 2.267657 27 6 0 2.829477 1.003255 2.174104 28 1 0 5.950485 2.072894 1.566277 29 1 0 4.780602 4.284815 1.744478 30 1 0 2.424673 4.352855 2.192118 31 1 0 1.142545 2.232519 2.424487 32 1 0 2.161517 0.184245 2.206983 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.539124 0.000000 3 O 1.380154 2.418720 0.000000 4 N 5.546005 6.261990 5.958827 0.000000 5 C 4.159545 4.898146 4.639418 1.390345 0.000000 6 N 3.744739 4.447762 4.555927 2.313379 1.286640 7 C 2.517012 3.234540 3.536419 3.552828 2.274553 8 O 2.743369 3.289270 3.989656 4.566101 3.400848 9 N 1.471365 2.461861 2.195330 4.075221 2.688642 10 C 2.416332 3.290202 2.426487 3.633663 2.385776 11 C 3.667041 4.449632 3.758397 2.421223 1.444664 12 H 1.100442 2.187492 2.080382 5.989327 4.634236 13 H 2.187711 1.101150 3.359456 6.169390 4.856415 14 H 2.206180 1.111203 2.777680 7.350439 5.977147 15 H 6.077481 6.790498 6.307742 0.981180 2.065667 16 C 6.458953 7.121994 7.054365 1.406877 2.463006 17 H 2.612306 3.413404 2.058001 4.503177 3.365573 18 Br 5.322576 6.031600 5.034653 3.071737 2.937372 19 H 2.158406 1.098130 2.625061 6.106243 4.805101 20 H 1.889766 2.576674 0.973483 6.923069 5.591915 21 O 6.301504 6.906297 7.095189 2.280693 2.807352 22 C 7.888258 8.591896 8.387647 2.510751 3.808284 23 C 8.859591 9.463626 9.498536 3.730045 4.912087 24 C 10.184609 10.812859 10.767563 4.908908 6.173564 25 C 10.652804 11.377884 11.072987 5.196781 6.551610 26 C 9.894641 10.701055 10.176139 4.442270 5.807183 27 C 8.489415 9.301459 8.784589 3.049367 4.404772 28 H 8.623555 9.126917 9.397824 3.923473 4.905775 29 H 10.973148 11.542531 11.630123 5.830107 7.042304 30 H 11.701935 12.430424 12.104163 6.238209 7.598964 31 H 10.408952 11.274424 10.563962 5.061728 6.395253 32 H 8.126441 9.025374 8.267144 2.929580 4.182557 6 7 8 9 10 6 N 0.000000 7 C 1.349877 0.000000 8 O 2.254015 1.220466 0.000000 9 N 2.400492 1.428197 2.265388 0.000000 10 C 2.763995 2.389821 3.469066 1.327514 0.000000 11 C 2.400520 2.732677 3.949133 2.324145 1.349205 12 H 3.984242 2.692835 2.491519 2.115897 3.239281 13 H 4.197344 3.010251 2.809539 2.744439 3.757877 14 H 5.500222 4.235197 4.117841 3.438593 4.234264 15 H 3.195362 4.335947 5.423862 4.623274 3.920059 16 C 2.801589 4.151254 4.908286 5.021993 4.843727 17 H 3.832666 3.367854 4.343781 2.083016 1.069375 18 Br 4.159079 4.675251 5.892860 4.151683 2.914682 19 H 4.610114 3.598286 3.948086 2.677330 3.087969 20 H 5.428963 4.314865 4.574435 3.056163 3.390404 21 O 2.566821 3.824471 4.312189 4.962703 5.103335 22 C 4.280377 5.628662 6.373170 6.438364 6.125672 23 C 5.133285 6.458337 7.024003 7.445433 7.289822 24 C 6.476466 7.809327 8.383927 8.757358 8.525152 25 C 7.068930 8.414616 9.116426 9.199879 8.789559 26 C 6.502112 7.823020 8.644862 8.441288 7.894641 27 C 5.133975 6.443179 7.305884 7.034935 6.501566 28 H 4.887882 6.147467 6.570731 7.265609 7.280817 29 H 7.234495 8.541205 9.021101 9.569770 9.417073 30 H 8.121707 9.466776 10.156434 10.248933 9.818594 31 H 7.197898 8.481856 9.362867 8.972019 8.312346 32 H 5.074185 6.301353 7.255843 6.698616 6.025329 11 12 13 14 15 11 C 0.000000 12 H 4.379217 0.000000 13 H 4.719236 2.536072 0.000000 14 H 5.467337 2.565391 1.791153 0.000000 15 H 2.585058 6.619565 6.803285 7.868518 0.000000 16 C 3.746648 6.746021 6.845144 8.210611 2.040114 17 H 2.090485 3.538462 4.135422 4.180534 4.624215 18 Br 1.945869 6.120648 6.433193 6.973398 2.538619 19 H 4.166439 3.080583 1.792507 1.790606 6.509743 20 H 4.727139 2.311328 3.587941 2.519715 7.280955 21 O 4.240397 6.436580 6.478646 7.963159 3.118836 22 C 4.917865 8.174648 8.340018 9.682798 2.628022 23 C 6.145200 9.069894 9.072922 10.549440 3.963216 24 C 7.325515 10.399654 10.439636 11.902564 4.963565 25 C 7.519140 10.924914 11.125670 12.471208 5.009332 26 C 6.600588 10.222385 10.569570 11.784240 4.086049 27 C 5.218468 8.833192 9.190670 10.381657 2.739918 28 H 6.246770 8.779130 8.628182 10.195259 4.360940 29 H 8.249907 11.148791 11.095392 12.624821 5.944698 30 H 8.538031 11.969574 12.175918 13.524441 6.007316 31 H 7.014565 10.767422 11.228994 12.342806 4.559179 32 H 4.746033 8.512917 9.038816 10.080473 2.412168 16 17 18 19 20 16 C 0.000000 17 H 5.790757 0.000000 18 Br 4.446642 3.020946 0.000000 19 H 7.077545 3.054885 5.518415 0.000000 20 H 7.993918 2.941658 5.943843 2.895220 0.000000 21 O 1.202191 6.134069 5.323635 7.013082 7.982123 22 C 1.501858 6.994494 5.147969 8.501476 9.341571 23 C 2.451906 8.216022 6.499277 9.425510 10.432428 24 C 3.739002 9.408369 7.442184 10.744849 11.711525 25 C 4.291801 9.575190 7.301904 11.245219 12.033855 26 C 3.849814 8.597870 6.188993 10.525722 11.140942 27 C 2.588916 7.233047 4.971435 9.139222 9.750198 28 H 2.545415 8.266293 6.870120 9.149512 10.300932 29 H 4.584504 10.330066 8.440260 11.502178 12.561973 30 H 5.344568 10.583849 8.225469 12.287465 13.065856 31 H 4.685259 8.919821 6.349893 11.060088 11.523639 32 H 2.946739 6.651542 4.264927 8.830473 9.227980 21 22 23 24 25 21 O 0.000000 22 C 2.323621 0.000000 23 C 2.713329 1.418116 0.000000 24 C 4.076700 2.423659 1.375005 0.000000 25 C 4.913758 2.795916 2.408930 1.406293 0.000000 26 C 4.717145 2.421717 2.778682 2.401525 1.365476 27 C 3.586293 1.392795 2.421555 2.789027 2.409572 28 H 2.353172 2.114083 1.053549 2.137462 3.382416 29 H 4.734079 3.394024 2.133061 1.053636 2.112732 30 H 5.934348 3.850133 3.351088 2.122693 1.054445 31 H 5.627002 3.353330 3.834465 3.379439 2.133123 32 H 4.035755 2.194164 3.418710 3.836829 3.310505 26 27 28 29 30 26 C 0.000000 27 C 1.406885 0.000000 28 H 3.831465 3.354738 0.000000 29 H 3.335861 3.841888 2.508580 0.000000 30 H 2.115595 3.374020 4.245144 2.399044 0.000000 31 H 1.057349 2.102266 4.886542 4.231996 2.488709 32 H 2.068711 1.057369 4.281796 4.887555 4.176935 31 32 31 H 0.000000 32 H 2.298051 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.466054 -0.936094 -0.399617 2 6 0 -5.106671 -1.272955 0.958705 3 8 0 -4.892241 0.286441 -0.877735 4 7 0 0.969308 0.013928 0.159380 5 6 0 -0.390566 -0.268834 0.097351 6 7 0 -0.779042 -1.487084 -0.045465 7 6 0 -2.099824 -1.751719 -0.133038 8 8 0 -2.531798 -2.879448 -0.309566 9 7 0 -3.030036 -0.671395 -0.218781 10 6 0 -2.609322 0.583053 -0.110831 11 6 0 -1.300045 0.853314 0.071123 12 1 0 -4.607433 -1.760713 -1.114451 13 1 0 -4.662691 -2.185972 1.385101 14 1 0 -6.202678 -1.431791 0.867527 15 1 0 1.276041 0.939547 0.268285 16 6 0 1.966604 -0.978157 0.181095 17 1 0 -3.304099 1.393127 -0.178865 18 35 0 -0.591384 2.658756 0.227927 19 1 0 -4.936206 -0.433803 1.646203 20 1 0 -5.848556 0.187308 -1.030388 21 8 0 1.694447 -2.148299 0.136807 22 6 0 3.403830 -0.580011 0.003790 23 6 0 4.334941 -1.577475 0.389989 24 6 0 5.686213 -1.337736 0.304965 25 6 0 6.152581 -0.108613 -0.194452 26 6 0 5.265213 0.842046 -0.610805 27 6 0 3.878980 0.617936 -0.524450 28 1 0 3.938160 -2.478743 0.764483 29 1 0 6.404332 -2.048296 0.604225 30 1 0 7.193582 0.047539 -0.255992 31 1 0 5.566899 1.762630 -1.034475 32 1 0 3.300936 1.386481 -0.964032 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4838534 0.1425633 0.1128207 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1885.2746925872 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= 339 RedAO= T EigKep= 4.55D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999909 0.008085 0.002715 -0.010428 Ang= 1.54 deg. B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999979 -0.006357 0.001365 -0.000408 Ang= -0.75 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) = -3457.09229600 A.U. after 15 cycles NFock= 15 Conv=0.59D-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 0.011880785 0.018882191 0.007849495 2 6 0.006813263 -0.003603137 -0.000322245 3 8 0.016000426 -0.057918079 -0.019607135 4 7 0.029700540 0.014605529 -0.010983773 5 6 -0.020733185 0.014186701 -0.000679195 6 7 -0.004774194 -0.011235586 0.020931593 7 6 0.021547651 -0.023885238 -0.052341571 8 8 -0.021229690 -0.001963987 0.033052383 9 7 0.022555643 0.018399331 -0.009997323 10 6 -0.027485408 0.016612992 0.022561887 11 6 -0.004649618 0.011985946 0.006022800 12 1 -0.008486117 0.003913103 0.013415355 13 1 -0.010557875 -0.008753638 0.000055478 14 1 -0.007136660 0.014756136 0.001082422 15 1 -0.009711925 -0.005769361 0.008493747 16 6 0.008115882 -0.012742723 -0.048212878 17 1 0.005355939 -0.000310403 -0.002982162 18 35 0.015975864 -0.010103677 -0.010629424 19 1 0.003991719 -0.000911212 -0.008665784 20 1 -0.015540184 0.020002144 0.007426072 21 8 -0.014401110 0.006086657 0.027294635 22 6 -0.002995647 0.010058098 0.010794989 23 6 -0.023167774 -0.010735615 0.011264348 24 6 -0.021057288 -0.014373600 0.004088693 25 6 0.021979756 -0.006083243 -0.004323141 26 6 0.014276161 -0.021373867 -0.004171105 27 6 0.007965417 0.026283777 -0.002935867 28 1 0.014540031 0.002810149 -0.003708535 29 1 0.012782926 0.012217560 -0.003121492 30 1 -0.009570071 0.014060728 0.001810227 31 1 -0.014104953 0.005859810 0.002558952 32 1 0.002119698 -0.020957487 0.003978555 ------------------------------------------------------------------- Cartesian Forces: Max 0.057918079 RMS 0.016464141 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.038701086 RMS 0.010801902 Search for a local minimum. Step number 17 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 6 7 8 9 10 11 12 13 17 14 ITU= 0 -1 0 1 1 1 1 1 1 1 1 -1 1 1 0 1 0 Use linear search instead of GDIIS. Energy rises -- skip Quadratic/GDIIS search. Quartic linear search produced a step of -0.97483. Iteration 1 RMS(Cart)= 0.20973754 RMS(Int)= 0.01317776 Iteration 2 RMS(Cart)= 0.04014697 RMS(Int)= 0.00032894 Iteration 3 RMS(Cart)= 0.00074371 RMS(Int)= 0.00003048 Iteration 4 RMS(Cart)= 0.00000026 RMS(Int)= 0.00003048 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.90852 -0.01036 -0.03729 0.00000 -0.03729 2.87124 R2 2.60811 0.01943 0.03364 0.00000 0.03364 2.64175 R3 2.78048 0.01084 -0.00475 0.00000 -0.00475 2.77573 R4 2.07953 -0.01534 -0.03933 0.00000 -0.03933 2.04020 R5 2.08087 -0.01362 -0.03943 0.00000 -0.03943 2.04144 R6 2.09987 -0.01629 -0.04606 0.00000 -0.04606 2.05381 R7 2.07516 -0.00951 -0.02481 0.00000 -0.02481 2.05035 R8 1.83962 -0.02480 -0.04755 0.00000 -0.04755 1.79207 R9 2.62737 -0.00846 -0.03470 0.00000 -0.03470 2.59268 R10 1.85416 0.01252 0.01822 0.00000 0.01822 1.87238 R11 2.65861 -0.00732 -0.03092 0.00000 -0.03092 2.62769 R12 2.43140 -0.00111 -0.00979 0.00000 -0.00979 2.42161 R13 2.73002 -0.00209 0.00276 0.00000 0.00276 2.73278 R14 2.55090 0.01046 0.02892 0.00000 0.02891 2.57981 R15 2.30635 -0.03703 -0.04279 0.00000 -0.04279 2.26355 R16 2.69890 -0.01853 -0.04322 0.00000 -0.04322 2.65568 R17 2.50864 0.01899 0.03661 0.00000 0.03661 2.54525 R18 2.54963 -0.00566 -0.01467 0.00000 -0.01466 2.53497 R19 2.02083 -0.00311 -0.00137 0.00000 -0.00137 2.01946 R20 3.67716 -0.02016 -0.09056 0.00000 -0.09056 3.58660 R21 2.27181 -0.02711 -0.02893 0.00000 -0.02893 2.24288 R22 2.83810 -0.00216 0.01044 0.00000 0.01044 2.84854 R23 2.67985 -0.01363 -0.05207 0.00000 -0.05207 2.62778 R24 2.63200 -0.01396 0.00064 0.00000 0.00063 2.63264 R25 2.59838 -0.00230 0.01745 0.00000 0.01745 2.61583 R26 1.99092 0.01470 0.03555 0.00000 0.03555 2.02647 R27 2.65751 -0.00901 -0.04127 0.00000 -0.04127 2.61624 R28 1.99108 0.01711 0.04015 0.00000 0.04015 2.03123 R29 2.58038 0.00879 0.03941 0.00000 0.03941 2.61979 R30 1.99261 0.01694 0.03928 0.00000 0.03928 2.03189 R31 2.65863 -0.00848 -0.04480 0.00000 -0.04480 2.61383 R32 1.99810 0.01422 0.03286 0.00000 0.03286 2.03096 R33 1.99814 0.01502 0.03274 0.00000 0.03274 2.03088 A1 1.95096 -0.00866 -0.00530 0.00000 -0.00522 1.94574 A2 1.91466 -0.00652 0.03336 0.00000 0.03340 1.94807 A3 1.93457 0.00629 -0.00108 0.00000 -0.00107 1.93349 A4 1.75646 0.02773 0.08697 0.00000 0.08699 1.84345 A5 1.98130 -0.00747 -0.04814 0.00000 -0.04817 1.93313 A6 1.91775 -0.01037 -0.06153 0.00000 -0.06156 1.85619 A7 1.93413 -0.00186 -0.00452 0.00000 -0.00451 1.92962 A8 1.94916 -0.00331 -0.03704 0.00000 -0.03704 1.91212 A9 1.89722 0.00273 0.02203 0.00000 0.02203 1.91925 A10 1.88698 0.00166 0.00357 0.00000 0.00358 1.89056 A11 1.90560 0.00039 0.01232 0.00000 0.01233 1.91793 A12 1.88989 0.00047 0.00388 0.00000 0.00387 1.89377 A13 1.84156 0.01661 0.06578 0.00000 0.06578 1.90735 A14 2.09737 -0.02533 -0.10017 0.00000 -0.10016 1.99722 A15 2.15389 0.03870 0.10345 0.00000 0.10346 2.25735 A16 2.02853 -0.01328 -0.00065 0.00000 -0.00064 2.02789 A17 2.08614 0.01746 0.03558 0.00000 0.03561 2.12174 A18 2.04720 -0.00580 -0.00610 0.00000 -0.00607 2.04113 A19 2.14525 -0.01134 -0.02509 0.00000 -0.02505 2.12019 A20 2.08088 0.01247 0.04664 0.00000 0.04664 2.12752 A21 2.13749 0.01052 0.02135 0.00000 0.02144 2.15893 A22 2.08620 -0.00457 -0.03455 0.00000 -0.03447 2.05173 A23 2.04849 -0.00428 0.02393 0.00000 0.02402 2.07251 A24 2.10246 -0.02540 -0.05769 0.00000 -0.05769 2.04478 A25 2.08208 0.02741 0.04485 0.00000 0.04486 2.12694 A26 2.09843 -0.00203 0.01303 0.00000 0.01303 2.11147 A27 2.10342 0.00123 0.00612 0.00000 0.00612 2.10954 A28 2.09989 -0.00591 -0.06645 0.00000 -0.06645 2.03344 A29 2.07981 0.00469 0.06037 0.00000 0.06037 2.14018 A30 2.04628 0.00476 -0.00043 0.00000 -0.00041 2.04587 A31 2.08284 0.01232 0.06634 0.00000 0.06634 2.14918 A32 2.15332 -0.01702 -0.06524 0.00000 -0.06524 2.08807 A33 2.12389 0.02342 0.03999 0.00000 0.04014 2.16403 A34 2.08243 -0.03550 -0.07945 0.00000 -0.07931 2.00312 A35 2.06046 0.01390 0.05541 0.00000 0.05556 2.11602 A36 1.99293 0.01409 0.03223 0.00000 0.03224 2.02517 A37 2.21337 -0.01787 -0.03084 0.00000 -0.03084 2.18253 A38 2.07632 0.00380 -0.00089 0.00000 -0.00089 2.07543 A39 2.10107 0.00012 0.00493 0.00000 0.00493 2.10601 A40 2.03894 0.00394 0.03277 0.00000 0.03277 2.07171 A41 2.14272 -0.00402 -0.03725 0.00000 -0.03725 2.10547 A42 2.09469 -0.00015 -0.00046 0.00000 -0.00046 2.09423 A43 2.13489 -0.00533 -0.04514 0.00000 -0.04514 2.08975 A44 2.05360 0.00548 0.04560 0.00000 0.04560 2.09920 A45 2.09586 -0.00250 -0.00447 0.00000 -0.00447 2.09140 A46 2.06867 0.00363 0.02942 0.00000 0.02942 2.09809 A47 2.11844 -0.00111 -0.02475 0.00000 -0.02475 2.09369 A48 2.10680 -0.00305 -0.00928 0.00000 -0.00928 2.09751 A49 2.14470 -0.00455 -0.04806 0.00000 -0.04806 2.09664 A50 2.03132 0.00762 0.05769 0.00000 0.05770 2.08902 A51 2.09028 0.00186 0.01145 0.00000 0.01146 2.10174 A52 2.20973 -0.01502 -0.08030 0.00000 -0.08028 2.12945 A53 1.97943 0.01328 0.07232 0.00000 0.07234 2.05177 D1 -3.01679 -0.01309 -0.08396 0.00000 -0.08396 -3.10075 D2 1.16145 -0.01169 -0.06133 0.00000 -0.06133 1.10011 D3 -0.92257 -0.01201 -0.05722 0.00000 -0.05722 -0.97979 D4 -1.08388 0.01194 0.04009 0.00000 0.04009 -1.04379 D5 3.09435 0.01335 0.06272 0.00000 0.06272 -3.12611 D6 1.01034 0.01302 0.06683 0.00000 0.06683 1.07717 D7 1.03705 -0.00129 -0.01590 0.00000 -0.01590 1.02114 D8 -1.06790 0.00011 0.00672 0.00000 0.00673 -1.06118 D9 3.13127 -0.00021 0.01084 0.00000 0.01084 -3.14108 D10 -1.11727 0.00274 0.04711 0.00000 0.04711 -1.07017 D11 3.13455 -0.00118 -0.04051 0.00000 -0.04049 3.09406 D12 1.08680 -0.00201 0.00455 0.00000 0.00454 1.09133 D13 1.42442 -0.00126 -0.06646 0.00000 -0.06643 1.35799 D14 -1.69535 -0.00058 -0.09200 0.00000 -0.09196 -1.78732 D15 -2.80060 0.00027 -0.00709 0.00000 -0.00713 -2.80774 D16 0.36281 0.00096 -0.03262 0.00000 -0.03267 0.33014 D17 -0.70657 0.00189 -0.04606 0.00000 -0.04605 -0.75262 D18 2.45684 0.00257 -0.07160 0.00000 -0.07159 2.38525 D19 -3.14144 0.00036 0.00521 0.00000 0.00517 -3.13627 D20 0.10014 -0.00238 -0.07816 0.00000 -0.07816 0.02198 D21 -0.09163 0.00082 0.05392 0.00000 0.05392 -0.03772 D22 -3.13324 -0.00192 -0.02945 0.00000 -0.02941 3.12053 D23 0.00957 -0.00611 -0.05626 0.00000 -0.05625 -0.04668 D24 2.95373 0.00609 0.14650 0.00000 0.14653 3.10026 D25 3.06271 -0.00639 -0.01145 0.00000 -0.01147 3.05124 D26 -0.27632 0.00580 0.19132 0.00000 0.19131 -0.08501 D27 -3.11761 0.00062 -0.01723 0.00000 -0.01722 -3.13483 D28 -0.08188 0.00398 0.07123 0.00000 0.07123 -0.01065 D29 3.03960 0.00352 0.08831 0.00000 0.08831 3.12791 D30 -0.06199 0.00237 0.06025 0.00000 0.06030 -0.00169 D31 0.00165 -0.00111 0.00134 0.00000 0.00131 0.00296 D32 -3.09993 -0.00226 -0.02672 0.00000 -0.02671 -3.12664 D33 3.10200 0.00675 0.04467 0.00000 0.04469 -3.13650 D34 0.12354 -0.00513 -0.11370 0.00000 -0.11369 0.00985 D35 3.07455 0.00488 0.06181 0.00000 0.06183 3.13638 D36 -0.08906 0.00456 0.08750 0.00000 0.08753 -0.00153 D37 0.08787 -0.00779 -0.08858 0.00000 -0.08857 -0.00070 D38 -3.07575 -0.00811 -0.06288 0.00000 -0.06287 -3.13861 D39 3.12817 -0.00161 0.01142 0.00000 0.01144 3.13961 D40 -0.02618 -0.00051 0.01629 0.00000 0.01630 -0.00988 D41 0.00834 -0.00063 -0.01422 0.00000 -0.01419 -0.00584 D42 3.13718 0.00047 -0.00936 0.00000 -0.00932 3.12785 D43 0.03445 -0.00066 -0.02922 0.00000 -0.02922 0.00524 D44 3.13428 0.00130 0.00097 0.00000 0.00100 3.13528 D45 -3.09453 -0.00167 -0.03345 0.00000 -0.03344 -3.12797 D46 0.00530 0.00029 -0.00326 0.00000 -0.00322 0.00207 D47 2.86439 -0.00619 0.09335 0.00000 0.09335 2.95774 D48 -0.31388 -0.00521 0.11907 0.00000 0.11908 -0.19480 D49 -0.46748 0.00691 0.28883 0.00000 0.28881 -0.17867 D50 2.63743 0.00789 0.31455 0.00000 0.31454 2.95198 D51 -3.11970 -0.00115 -0.02137 0.00000 -0.02136 -3.14106 D52 -0.00958 0.00017 0.00865 0.00000 0.00864 -0.00094 D53 0.05545 -0.00152 -0.04469 0.00000 -0.04468 0.01077 D54 -3.11761 -0.00020 -0.01467 0.00000 -0.01468 -3.13229 D55 3.13093 0.00044 0.01462 0.00000 0.01459 -3.13767 D56 -0.11008 0.00284 0.09007 0.00000 0.09011 -0.01997 D57 -0.04891 0.00162 0.04161 0.00000 0.04159 -0.00731 D58 2.99327 0.00402 0.11705 0.00000 0.11712 3.11039 D59 -0.02418 0.00066 0.01818 0.00000 0.01817 -0.00600 D60 3.11655 0.00093 0.02029 0.00000 0.02029 3.13683 D61 -3.13237 -0.00090 -0.01371 0.00000 -0.01372 3.13709 D62 0.00835 -0.00062 -0.01160 0.00000 -0.01161 -0.00326 D63 -0.01395 0.00034 0.01160 0.00000 0.01159 -0.00236 D64 -3.13386 -0.00023 -0.00585 0.00000 -0.00585 -3.13971 D65 3.12847 0.00008 0.00952 0.00000 0.00951 3.13798 D66 0.00856 -0.00049 -0.00793 0.00000 -0.00793 0.00063 D67 0.02035 -0.00024 -0.01458 0.00000 -0.01456 0.00579 D68 -3.09118 -0.00119 -0.04003 0.00000 -0.04002 -3.13119 D69 3.13963 0.00041 0.00351 0.00000 0.00352 -3.14004 D70 0.02811 -0.00055 -0.02194 0.00000 -0.02194 0.00616 D71 0.01167 -0.00086 -0.01256 0.00000 -0.01256 -0.00090 D72 -3.04299 -0.00148 -0.07672 0.00000 -0.07665 -3.11964 D73 3.12507 -0.00015 0.01107 0.00000 0.01103 3.13611 D74 0.07041 -0.00077 -0.05309 0.00000 -0.05305 0.01737 Item Value Threshold Converged? Maximum Force 0.038701 0.000450 NO RMS Force 0.010802 0.000300 NO Maximum Displacement 0.886554 0.001800 NO RMS Displacement 0.239092 0.001200 NO Predicted change in Energy=-3.853341D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.617591 -6.550024 1.317963 2 6 0 7.773550 -6.821341 2.265962 3 8 0 5.557930 -7.435343 1.536157 4 7 0 4.651177 -1.415387 1.957407 5 6 0 5.167755 -2.675614 1.792124 6 7 0 6.256167 -2.875024 1.145796 7 6 0 6.772124 -4.126746 0.970612 8 8 0 7.788489 -4.349555 0.377203 9 7 0 6.058112 -5.206623 1.517415 10 6 0 4.908373 -5.007907 2.190257 11 6 0 4.416607 -3.771805 2.362578 12 1 0 6.946626 -6.592794 0.290584 13 1 0 8.566528 -6.103980 2.112367 14 1 0 8.171317 -7.815430 2.079507 15 1 0 3.808817 -1.382806 2.478074 16 6 0 5.163173 -0.191359 1.541302 17 1 0 4.417840 -5.880451 2.564506 18 35 0 2.788125 -3.532871 3.307647 19 1 0 7.428440 -6.775689 3.293598 20 1 0 5.853582 -8.322532 1.378677 21 8 0 6.205292 -0.061485 0.988301 22 6 0 4.289456 0.997110 1.851730 23 6 0 4.867357 2.246854 1.657225 24 6 0 4.151191 3.403417 1.913320 25 6 0 2.843621 3.322858 2.361075 26 6 0 2.254297 2.082171 2.548987 27 6 0 2.971273 0.926489 2.296949 28 1 0 5.879377 2.297250 1.306176 29 1 0 4.614107 4.361633 1.761981 30 1 0 2.283475 4.218962 2.559450 31 1 0 1.236452 2.014092 2.887249 32 1 0 2.466779 -0.012068 2.436823 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519394 0.000000 3 O 1.397956 2.412175 0.000000 4 N 5.535356 6.250501 6.102419 0.000000 5 C 4.163881 4.919527 4.782549 1.371985 0.000000 6 N 3.696740 4.373859 4.629948 2.316300 1.281462 7 C 2.452918 3.153035 3.569442 3.581012 2.314015 8 O 2.664224 3.110846 3.980032 4.577021 3.416479 9 N 1.468851 2.471916 2.284234 4.067743 2.697074 10 C 2.461797 3.391683 2.596577 3.609234 2.380207 11 C 3.695139 4.536307 3.925188 2.402476 1.446125 12 H 1.079630 2.153638 2.046904 5.903637 4.556677 13 H 2.151369 1.080284 3.340091 6.110392 4.838172 14 H 2.143657 1.086828 2.696198 7.305261 5.960007 15 H 5.994599 6.733630 6.370228 0.990821 1.997146 16 C 6.526701 7.162114 7.254734 1.390514 2.496889 17 H 2.615550 3.497884 2.185176 4.512185 3.380819 18 Br 5.265630 6.062475 5.102870 3.126955 2.948617 19 H 2.147449 1.084998 2.650010 6.183157 4.916883 20 H 1.931109 2.593671 0.948322 7.034868 5.703419 21 O 6.509977 7.056027 7.422466 2.277606 2.925112 22 C 7.916081 8.569637 8.533163 2.441751 3.776752 23 C 8.975716 9.541943 9.707548 3.680876 4.933469 24 C 10.271736 10.853180 10.936173 4.844873 6.164633 25 C 10.620957 11.279097 11.125954 5.087354 6.458093 26 C 9.750309 10.479255 10.125358 4.281111 5.630061 27 C 8.375696 9.115465 8.785774 2.902025 4.249061 28 H 8.878026 9.362574 9.740615 3.964372 5.046971 29 H 11.102943 11.631638 11.836825 5.780443 7.059056 30 H 11.674626 12.333505 12.148745 6.141201 7.512858 31 H 10.235399 11.008384 10.478188 4.928111 6.216734 32 H 7.824702 8.634652 8.091442 2.640216 3.847777 6 7 8 9 10 6 N 0.000000 7 C 1.365177 0.000000 8 O 2.261192 1.197822 0.000000 9 N 2.369321 1.405326 2.242511 0.000000 10 C 2.730685 2.395318 3.466362 1.346887 0.000000 11 C 2.380915 2.758988 3.955389 2.338278 1.341446 12 H 3.876846 2.564036 2.397573 2.053300 3.205480 13 H 4.086341 2.903953 2.587304 2.729719 3.819625 14 H 5.380262 4.098020 3.880294 3.404035 4.305955 15 H 3.160887 4.310782 5.390089 4.539138 3.799108 16 C 2.924572 4.289719 5.053515 5.094543 4.866745 17 H 3.797997 3.340454 4.299909 2.059354 1.068653 18 Br 4.139285 4.656895 5.853043 4.086464 2.814204 19 H 4.604614 3.583841 3.810659 2.737626 3.270038 20 H 5.467326 4.314494 4.531155 3.125695 3.541020 21 O 2.818403 4.104627 4.611671 5.174367 5.252979 22 C 4.399968 5.761416 6.557766 6.459583 6.046312 23 C 5.331415 6.687477 7.326943 7.549289 7.274432 24 C 6.666246 8.028782 8.700470 8.827563 8.449875 25 C 7.178866 8.535990 9.340953 9.154057 8.584523 26 C 6.523626 7.839176 8.758483 8.286113 7.579051 27 C 5.154336 6.460714 7.397813 6.910232 6.243460 28 H 5.188459 6.494407 6.977659 7.508973 7.422248 29 H 7.446157 8.794082 9.374386 9.679695 9.383938 30 H 8.252596 9.608497 10.415703 10.206634 9.600078 31 H 7.220364 8.486875 9.472356 8.789970 7.954701 32 H 4.921660 6.133217 7.167736 6.381723 5.566021 11 12 13 14 15 11 C 0.000000 12 H 4.318812 0.000000 13 H 4.766916 2.486346 0.000000 14 H 5.525294 2.488965 1.756796 0.000000 15 H 2.467806 6.463354 6.712603 7.782603 0.000000 16 C 3.748526 6.761906 6.846023 8.213711 2.032576 17 H 2.118293 3.474610 4.179235 4.250641 4.539515 18 Br 1.897945 5.979877 6.436554 6.987659 2.520473 19 H 4.354453 3.046915 1.772497 1.762653 6.545987 20 H 4.872584 2.317474 3.580552 2.473906 7.317755 21 O 4.342178 6.610173 6.584125 8.073391 3.115831 22 C 4.797883 8.191726 8.293778 9.632319 2.507452 23 C 6.076590 9.183161 9.144804 10.599246 3.868944 24 C 7.194170 10.505806 10.484532 11.918538 4.831572 25 C 7.266948 10.928940 11.030811 12.350104 4.805056 26 C 6.243345 10.117972 10.346398 11.540971 3.798371 27 C 4.916021 8.738910 8.987126 10.173931 2.463154 28 H 6.331596 9.011289 8.857278 10.397947 4.382165 29 H 8.157974 11.296244 11.192562 12.689973 5.844643 30 H 8.272929 11.991113 12.092963 13.406103 5.806297 31 H 6.623086 10.650223 10.965105 12.056711 4.280584 32 H 4.235914 8.245079 8.626911 9.672739 1.918773 16 17 18 19 20 16 C 0.000000 17 H 5.828228 0.000000 18 Br 4.463914 2.952856 0.000000 19 H 7.180208 3.224397 5.661147 0.000000 20 H 8.162052 3.071043 6.004898 2.922298 0.000000 21 O 1.186882 6.288066 5.395083 7.203542 8.277741 22 C 1.507383 6.915590 4.989430 8.505798 9.461818 23 C 2.458826 8.190135 6.360214 9.520669 10.618952 24 C 3.752987 9.310497 7.205150 10.782380 11.860938 25 C 4.289763 9.339189 6.920990 11.129727 12.068143 26 C 3.826999 8.251334 5.691154 10.285323 11.071690 27 C 2.573909 6.964092 4.576128 8.954506 9.731152 28 H 2.600270 8.402040 6.895798 9.416351 10.620061 29 H 4.591286 10.275352 8.249030 11.589058 12.750344 30 H 5.364719 10.322484 7.804190 12.161085 13.093088 31 H 4.700502 8.517582 5.775225 10.759465 11.421010 32 H 2.846865 6.185537 3.641106 8.432005 9.036256 21 22 23 24 25 21 O 0.000000 22 C 2.352989 0.000000 23 C 2.750628 1.390562 0.000000 24 C 4.132860 2.411063 1.384238 0.000000 25 C 4.963780 2.785494 2.397643 1.384453 0.000000 26 C 4.758293 2.409439 2.765942 2.397492 1.386333 27 C 3.625952 1.393131 2.397445 2.770298 2.400624 28 H 2.402268 2.125051 1.072362 2.139827 3.373499 29 H 4.763866 3.381341 2.132463 1.074883 2.138361 30 H 6.014265 3.860720 3.373376 2.137980 1.075230 31 H 5.709938 3.380441 3.840652 3.372605 2.138393 32 H 4.009630 2.164006 3.387222 3.844064 3.357004 26 27 28 29 30 26 C 0.000000 27 C 1.383177 0.000000 28 H 3.838234 3.364177 0.000000 29 H 3.374022 3.845167 2.463807 0.000000 30 H 2.137016 3.373774 4.265464 2.467419 0.000000 31 H 1.074740 2.130948 4.912914 4.264473 2.462755 32 H 2.107976 1.074694 4.272837 4.918911 4.236773 31 32 31 H 0.000000 32 H 2.412863 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.527822 -0.698774 -0.226957 2 6 0 -5.097741 -1.149857 1.107312 3 8 0 -5.036313 0.547045 -0.605970 4 7 0 0.984999 -0.247905 -0.013193 5 6 0 -0.378793 -0.390860 -0.057680 6 7 0 -0.929552 -1.543543 -0.158333 7 6 0 -2.285499 -1.693027 -0.210979 8 8 0 -2.834165 -2.754087 -0.299824 9 7 0 -3.070309 -0.528250 -0.162921 10 6 0 -2.500299 0.688268 -0.066615 11 6 0 -1.166729 0.820704 -0.007192 12 1 0 -4.714132 -1.437077 -0.992332 13 1 0 -4.664628 -2.093602 1.405259 14 1 0 -6.173009 -1.280413 1.018161 15 1 0 1.296350 0.689034 0.070073 16 6 0 1.974405 -1.224904 -0.021848 17 1 0 -3.163803 1.525797 -0.048523 18 35 0 -0.400166 2.552458 0.117732 19 1 0 -4.903764 -0.398807 1.865941 20 1 0 -5.977419 0.484364 -0.704487 21 8 0 1.755075 -2.391336 -0.026338 22 6 0 3.385499 -0.694809 -0.017967 23 6 0 4.388927 -1.632011 0.202138 24 6 0 5.719126 -1.249747 0.225866 25 6 0 6.061905 0.076046 0.022181 26 6 0 5.070294 1.017136 -0.207983 27 6 0 3.740863 0.635814 -0.227660 28 1 0 4.112060 -2.656743 0.354548 29 1 0 6.482327 -1.985953 0.401644 30 1 0 7.094147 0.376610 0.038144 31 1 0 5.331563 2.045973 -0.376204 32 1 0 3.008570 1.395834 -0.430351 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5074243 0.1431064 0.1134228 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.6322873791 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= 339 RedAO= T EigKep= 4.23D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 0.000088 0.000052 -0.000229 Ang= 0.03 deg. B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999912 -0.008010 -0.002662 0.010196 Ang= -1.52 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) = -3457.12165628 A.U. after 9 cycles NFock= 9 Conv=0.65D-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 -0.001631084 -0.000447237 0.001072565 2 6 -0.000139611 -0.000515774 -0.000152077 3 8 0.000866124 -0.001604647 -0.001319308 4 7 0.000054300 -0.001815685 0.000769321 5 6 -0.000942754 0.000064092 -0.001015877 6 7 0.000157169 0.000370683 0.000532876 7 6 0.000099553 0.000464570 -0.001971728 8 8 -0.001399745 -0.000248876 0.001438220 9 7 0.001047208 0.001052978 -0.000710189 10 6 0.000766439 0.000138080 0.000323006 11 6 -0.000839394 -0.000375185 0.001016625 12 1 0.000201642 0.000522525 0.000641136 13 1 0.000115697 0.000100385 0.000088022 14 1 0.000242594 0.000159392 0.000265829 15 1 0.000348626 0.000503054 0.000932066 16 6 0.001076463 0.001409776 -0.002712105 17 1 -0.000293926 0.000240275 0.000075058 18 35 0.001109653 -0.000042531 -0.000606229 19 1 0.000251209 0.000078926 -0.000203175 20 1 -0.000469176 0.000965342 0.000203215 21 8 -0.000956188 -0.000601432 0.001206360 22 6 -0.000349302 -0.000313340 0.000555703 23 6 -0.000076866 0.001491463 0.000580327 24 6 0.001180064 -0.001042689 -0.000430321 25 6 -0.001053015 -0.001017778 0.000328155 26 6 0.000024655 0.001840314 -0.000074521 27 6 0.000529585 -0.000871791 -0.000454859 28 1 -0.000035489 -0.000094362 -0.000062398 29 1 -0.000100287 0.000011844 0.000039078 30 1 0.000027528 0.000017952 0.000000308 31 1 -0.000069494 -0.000096506 0.000021593 32 1 0.000257823 -0.000343818 -0.000376675 ------------------------------------------------------------------- Cartesian Forces: Max 0.002712105 RMS 0.000794602 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001853910 RMS 0.000485045 Search for a local minimum. Step number 18 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 6 7 8 9 10 11 12 13 15 14 18 ITU= 0 0 -1 0 1 1 1 1 1 1 1 1 -1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- -0.04623 -0.00771 0.00000 0.00283 0.00824 Eigenvalues --- 0.01332 0.01416 0.01522 0.01592 0.01644 Eigenvalues --- 0.01717 0.01818 0.01859 0.01881 0.02065 Eigenvalues --- 0.02098 0.02112 0.02119 0.02133 0.02154 Eigenvalues --- 0.02500 0.02563 0.02597 0.02618 0.03718 Eigenvalues --- 0.04907 0.05550 0.05750 0.06006 0.08402 Eigenvalues --- 0.09941 0.12795 0.14865 0.15699 0.15829 Eigenvalues --- 0.15993 0.15998 0.16001 0.16010 0.16110 Eigenvalues --- 0.16221 0.17751 0.18192 0.19487 0.20636 Eigenvalues --- 0.21891 0.22002 0.22322 0.23261 0.23812 Eigenvalues --- 0.24243 0.24320 0.24703 0.24928 0.25525 Eigenvalues --- 0.26825 0.27553 0.29540 0.29953 0.31863 Eigenvalues --- 0.33626 0.33756 0.33808 0.34117 0.34806 Eigenvalues --- 0.35286 0.35541 0.37099 0.38357 0.38403 Eigenvalues --- 0.38437 0.38560 0.38687 0.39275 0.41092 Eigenvalues --- 0.42500 0.43391 0.44772 0.47088 0.48580 Eigenvalues --- 0.49596 0.50446 0.54333 0.55827 0.56097 Eigenvalues --- 0.57770 0.65174 0.73030 0.83677 0.88769 RFO step: Lambda=-4.62350217D-02 EMin=-4.62348339D-02 I= 1 Eig= -4.62D-02 Dot1= -5.62D-05 I= 1 Stepn= -6.00D-01 RXN= 6.00D-01 EDone=F I= 2 Eig= -7.71D-03 Dot1= 3.40D-04 I= 2 Stepn= 3.00D-01 RXN= 6.71D-01 EDone=F Mixed 2 eigenvectors in step. Raw Step.Grad= 3.96D-04. RFO eigenvector is Hessian eigenvector with negative curvature. Taking step of 6.00D-01 in eigenvector direction(s). Step.Grad= 1.01D-04. Quartic linear search produced a step of -0.01421. Iteration 1 RMS(Cart)= 0.21171242 RMS(Int)= 0.00906166 Iteration 2 RMS(Cart)= 0.02798367 RMS(Int)= 0.00254225 Iteration 3 RMS(Cart)= 0.00019433 RMS(Int)= 0.00254154 Iteration 4 RMS(Cart)= 0.00000143 RMS(Int)= 0.00254154 Iteration 5 RMS(Cart)= 0.00000001 RMS(Int)= 0.00254154 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87124 0.00039 -0.00001 -0.00088 -0.00089 2.87034 R2 2.64175 -0.00007 0.00001 0.00670 0.00671 2.64847 R3 2.77573 0.00038 -0.00000 0.06873 0.06873 2.84445 R4 2.04020 -0.00057 -0.00001 0.05568 0.05567 2.09587 R5 2.04144 0.00014 -0.00001 0.04206 0.04204 2.08348 R6 2.05381 -0.00010 -0.00002 0.04848 0.04846 2.10227 R7 2.05035 -0.00027 -0.00001 0.02413 0.02412 2.07447 R8 1.79207 -0.00108 -0.00002 0.07944 0.07942 1.87149 R9 2.59268 -0.00113 -0.00001 0.05638 0.05637 2.64905 R10 1.87238 0.00021 0.00001 0.00293 0.00294 1.87532 R11 2.62769 0.00092 -0.00001 0.01223 0.01222 2.63991 R12 2.42161 -0.00051 -0.00000 0.00271 0.00275 2.42436 R13 2.73278 -0.00007 0.00000 0.01054 0.01053 2.74332 R14 2.57981 -0.00053 0.00001 0.00849 0.00857 2.58838 R15 2.26355 -0.00185 -0.00002 0.04980 0.04979 2.31334 R16 2.65568 -0.00049 -0.00002 0.02674 0.02671 2.68239 R17 2.54525 -0.00013 0.00001 0.00023 0.00021 2.54546 R18 2.53497 -0.00040 -0.00001 0.01807 0.01800 2.55297 R19 2.01946 -0.00003 -0.00000 -0.01301 -0.01301 2.00645 R20 3.58660 -0.00126 -0.00003 0.00527 0.00523 3.59183 R21 2.24288 -0.00147 -0.00001 0.03753 0.03752 2.28041 R22 2.84854 -0.00050 0.00000 -0.01448 -0.01448 2.83407 R23 2.62778 0.00037 -0.00002 0.01597 0.01593 2.64371 R24 2.63264 -0.00070 0.00000 -0.02515 -0.02516 2.60748 R25 2.61583 -0.00104 0.00001 0.02624 0.02623 2.64206 R26 2.02647 -0.00002 0.00001 -0.02935 -0.02934 1.99714 R27 2.61624 0.00081 -0.00002 -0.00325 -0.00325 2.61298 R28 2.03123 -0.00004 0.00001 -0.03254 -0.03252 1.99871 R29 2.61979 -0.00102 0.00001 0.01396 0.01399 2.63378 R30 2.03189 0.00000 0.00001 -0.03258 -0.03256 1.99933 R31 2.61383 0.00077 -0.00002 -0.00150 -0.00151 2.61231 R32 2.03096 0.00008 0.00001 -0.03003 -0.03002 2.00094 R33 2.03088 0.00013 0.00001 -0.01559 -0.01557 2.01530 A1 1.94574 0.00012 -0.00000 -0.02684 -0.02635 1.91939 A2 1.94807 -0.00038 0.00001 -0.04677 -0.04626 1.90180 A3 1.93349 0.00004 -0.00000 -0.00294 -0.00268 1.93081 A4 1.84345 0.00093 0.00003 0.05175 0.05087 1.89432 A5 1.93313 -0.00031 -0.00002 -0.00953 -0.01101 1.92212 A6 1.85619 -0.00040 -0.00002 0.03903 0.03853 1.89472 A7 1.92962 -0.00004 -0.00000 0.01663 0.01659 1.94621 A8 1.91212 0.00055 -0.00001 0.00890 0.00881 1.92093 A9 1.91925 0.00011 0.00001 -0.02882 -0.02875 1.89050 A10 1.89056 -0.00023 0.00000 -0.00253 -0.00269 1.88787 A11 1.91793 -0.00017 0.00000 0.00139 0.00149 1.91942 A12 1.89377 -0.00023 0.00000 0.00471 0.00473 1.89850 A13 1.90735 0.00025 0.00002 -0.01002 -0.01000 1.89735 A14 1.99722 0.00066 -0.00004 0.09512 0.09486 2.09207 A15 2.25735 -0.00053 0.00004 -0.06656 -0.06669 2.19066 A16 2.02789 -0.00014 -0.00000 -0.02976 -0.02989 1.99800 A17 2.12174 -0.00097 0.00001 -0.00525 -0.00562 2.11613 A18 2.04113 0.00061 -0.00000 0.00819 0.00780 2.04892 A19 2.12019 0.00037 -0.00001 -0.00217 -0.00260 2.11760 A20 2.12752 -0.00039 0.00002 -0.01877 -0.01868 2.10884 A21 2.15893 0.00058 0.00001 -0.00394 -0.00536 2.15357 A22 2.05173 0.00031 -0.00001 0.03500 0.03352 2.08524 A23 2.07251 -0.00089 0.00001 -0.03066 -0.03198 2.04054 A24 2.04478 -0.00025 -0.00002 -0.00613 -0.00617 2.03860 A25 2.12694 0.00025 0.00002 0.03672 0.03664 2.16358 A26 2.11147 0.00000 0.00000 -0.03067 -0.03079 2.08068 A27 2.10954 -0.00012 0.00000 0.00496 0.00451 2.11405 A28 2.03344 0.00044 -0.00002 0.02755 0.02718 2.06062 A29 2.14018 -0.00032 0.00002 -0.03217 -0.03236 2.10782 A30 2.04587 -0.00016 -0.00000 0.01184 0.01166 2.05753 A31 2.14918 -0.00012 0.00002 -0.03879 -0.03874 2.11044 A32 2.08807 0.00029 -0.00002 0.02713 0.02713 2.11520 A33 2.16403 0.00007 0.00001 0.02361 0.00481 2.16884 A34 2.00312 -0.00129 -0.00003 -0.00848 -0.02587 1.97726 A35 2.11602 0.00122 0.00002 -0.01677 -0.03372 2.08229 A36 2.02517 0.00103 0.00001 -0.01030 -0.01030 2.01487 A37 2.18253 -0.00138 -0.00001 -0.00434 -0.00435 2.17818 A38 2.07543 0.00035 -0.00000 0.01466 0.01466 2.09009 A39 2.10601 -0.00032 0.00000 0.00351 0.00349 2.10949 A40 2.07171 0.00007 0.00001 -0.00913 -0.00914 2.06258 A41 2.10547 0.00026 -0.00001 0.00563 0.00559 2.11106 A42 2.09423 0.00017 -0.00000 -0.01751 -0.01749 2.07674 A43 2.08975 0.00002 -0.00002 0.02087 0.02083 2.11059 A44 2.09920 -0.00019 0.00002 -0.00337 -0.00337 2.09583 A45 2.09140 0.00012 -0.00000 -0.00423 -0.00418 2.08721 A46 2.09809 -0.00009 0.00001 -0.00188 -0.00189 2.09620 A47 2.09369 -0.00003 -0.00001 0.00612 0.00608 2.09977 A48 2.09751 -0.00021 -0.00000 0.02483 0.02487 2.12239 A49 2.09664 0.00020 -0.00002 0.01645 0.01641 2.11305 A50 2.08902 0.00001 0.00002 -0.04127 -0.04127 2.04775 A51 2.10174 -0.00010 0.00000 -0.02116 -0.02131 2.08043 A52 2.12945 -0.00045 -0.00003 0.05320 0.05291 2.18235 A53 2.05177 0.00054 0.00003 -0.03279 -0.03291 2.01886 D1 -3.10075 -0.00037 -0.00003 -0.01528 -0.01550 -3.11625 D2 1.10011 -0.00041 -0.00002 -0.02804 -0.02837 1.07174 D3 -0.97979 -0.00053 -0.00002 -0.02172 -0.02203 -1.00182 D4 -1.04379 0.00064 0.00001 0.00166 0.00192 -1.04187 D5 -3.12611 0.00060 0.00002 -0.01110 -0.01095 -3.13706 D6 1.07717 0.00048 0.00002 -0.00478 -0.00461 1.07257 D7 1.02114 -0.00008 -0.00001 0.01854 0.01870 1.03984 D8 -1.06118 -0.00012 0.00000 0.00578 0.00582 -1.05536 D9 -3.14108 -0.00024 0.00000 0.01210 0.01217 -3.12891 D10 -1.07017 0.00009 0.00002 -0.00013 -0.00061 -1.07078 D11 3.09406 -0.00011 -0.00002 0.03926 0.03938 3.13344 D12 1.09133 0.00000 0.00000 -0.03021 -0.02985 1.06148 D13 1.35799 0.00011 -0.00002 0.03080 0.03091 1.38891 D14 -1.78732 0.00015 -0.00003 0.00672 0.00675 -1.78057 D15 -2.80774 0.00064 -0.00000 0.00437 0.00344 -2.80430 D16 0.33014 0.00067 -0.00001 -0.01971 -0.02072 0.30942 D17 -0.75262 0.00054 -0.00002 0.03660 0.03749 -0.71513 D18 2.38525 0.00057 -0.00003 0.01252 0.01333 2.39858 D19 -3.13627 0.00027 0.00000 0.07131 0.07174 -3.06453 D20 0.02198 -0.00006 -0.00003 0.01952 0.02022 0.04220 D21 -0.03772 -0.00004 0.00002 0.03598 0.03527 -0.00244 D22 3.12053 -0.00037 -0.00001 -0.01581 -0.01625 3.10428 D23 -0.04668 -0.00075 -0.00002 -0.14644 -0.14769 -0.19437 D24 3.10026 -0.00015 0.00005 0.20073 0.20078 -2.98214 D25 3.05124 -0.00105 -0.00000 -0.17976 -0.17977 2.87147 D26 -0.08501 -0.00045 0.00007 0.16741 0.16871 0.08370 D27 -3.13483 -0.00014 -0.00001 -0.02168 -0.02161 3.12674 D28 -0.01065 0.00020 0.00003 0.03255 0.03204 0.02139 D29 3.12791 0.00019 0.00003 0.04041 0.04012 -3.11515 D30 -0.00169 0.00015 0.00002 0.02198 0.02269 0.02099 D31 0.00296 -0.00012 0.00000 -0.01130 -0.01142 -0.00846 D32 -3.12664 -0.00016 -0.00001 -0.02973 -0.02885 3.12769 D33 -3.13650 0.00029 0.00002 0.03565 0.03656 -3.09994 D34 0.00985 -0.00021 -0.00004 -0.06442 -0.06518 -0.05533 D35 3.13638 0.00017 0.00002 0.05479 0.05602 -3.09079 D36 -0.00153 0.00013 0.00003 0.07849 0.07883 0.07730 D37 -0.00070 -0.00031 -0.00003 -0.04024 -0.03929 -0.03999 D38 -3.13861 -0.00034 -0.00002 -0.01654 -0.01647 3.12810 D39 3.13961 -0.00010 0.00000 -0.03601 -0.03539 3.10421 D40 -0.00988 -0.00006 0.00001 0.01078 0.01209 0.00221 D41 -0.00584 -0.00007 -0.00001 -0.06094 -0.06005 -0.06589 D42 3.12785 -0.00002 -0.00000 -0.01415 -0.01256 3.11529 D43 0.00524 0.00005 -0.00001 0.02601 0.02659 0.03182 D44 3.13528 0.00009 0.00000 0.04329 0.04360 -3.10431 D45 -3.12797 0.00000 -0.00001 -0.02400 -0.02246 3.13276 D46 0.00207 0.00004 -0.00000 -0.00672 -0.00545 -0.00337 D47 2.95774 -0.00093 0.00003 -0.14963 -0.14593 2.81181 D48 -0.19480 -0.00100 0.00004 -0.14812 -0.14454 -0.33933 D49 -0.17867 -0.00035 0.00011 0.18690 0.18347 0.00480 D50 2.95198 -0.00042 0.00012 0.18841 0.18486 3.13684 D51 -3.14106 -0.00005 -0.00001 -0.01072 -0.01106 3.13107 D52 -0.00094 -0.00002 0.00000 0.00158 0.00135 0.00041 D53 0.01077 0.00003 -0.00002 -0.01201 -0.01226 -0.00149 D54 -3.13229 0.00006 -0.00001 0.00028 0.00015 -3.13215 D55 -3.13767 0.00006 0.00001 0.01079 0.01090 -3.12677 D56 -0.01997 -0.00008 0.00003 -0.02703 -0.02773 -0.04770 D57 -0.00731 -0.00001 0.00002 0.01220 0.01220 0.00488 D58 3.11039 -0.00015 0.00004 -0.02563 -0.02643 3.08396 D59 -0.00600 -0.00002 0.00001 0.00522 0.00523 -0.00077 D60 3.13683 -0.00001 0.00001 0.01103 0.01112 -3.13523 D61 3.13709 -0.00005 -0.00000 -0.00730 -0.00751 3.12958 D62 -0.00326 -0.00003 -0.00000 -0.00149 -0.00163 -0.00489 D63 -0.00236 -0.00001 0.00000 0.00192 0.00195 -0.00041 D64 -3.13971 0.00002 -0.00000 -0.00132 -0.00143 -3.14114 D65 3.13798 -0.00003 0.00000 -0.00390 -0.00386 3.13412 D66 0.00063 -0.00000 -0.00000 -0.00715 -0.00725 -0.00661 D67 0.00579 0.00004 -0.00001 -0.00171 -0.00186 0.00393 D68 -3.13119 0.00005 -0.00001 -0.00424 -0.00460 -3.13579 D69 -3.14004 0.00001 0.00000 0.00150 0.00151 -3.13853 D70 0.00616 0.00002 -0.00001 -0.00102 -0.00123 0.00493 D71 -0.00090 -0.00003 -0.00000 -0.00542 -0.00528 -0.00618 D72 -3.11964 0.00012 -0.00003 0.02961 0.02865 -3.09098 D73 3.13611 -0.00004 0.00000 -0.00275 -0.00250 3.13361 D74 0.01737 0.00011 -0.00002 0.03228 0.03144 0.04881 Item Value Threshold Converged? Maximum Force 0.001854 0.000450 NO RMS Force 0.000485 0.000300 NO Maximum Displacement 0.728602 0.001800 NO RMS Displacement 0.219777 0.001200 NO Predicted change in Energy=-6.885762D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.707311 -6.573156 1.371186 2 6 0 7.833413 -6.623984 2.389238 3 8 0 5.780941 -7.592318 1.630746 4 7 0 4.382149 -1.458412 1.742790 5 6 0 4.955320 -2.729598 1.599102 6 7 0 6.068550 -2.891774 0.982421 7 6 0 6.629577 -4.135503 0.862015 8 8 0 7.708931 -4.338220 0.321195 9 7 0 6.004305 -5.247079 1.485148 10 6 0 4.822627 -5.072856 2.107794 11 6 0 4.262821 -3.847868 2.213390 12 1 0 7.106736 -6.673607 0.341407 13 1 0 8.564675 -5.815599 2.223870 14 1 0 8.369123 -7.596329 2.317471 15 1 0 3.554862 -1.347121 2.279465 16 6 0 4.923703 -0.264691 1.259772 17 1 0 4.359347 -5.921445 2.546677 18 35 0 2.625319 -3.590733 3.143544 19 1 0 7.396102 -6.534685 3.392168 20 1 0 6.239141 -8.466484 1.548996 21 8 0 6.044292 -0.153451 0.826039 22 6 0 4.201842 0.955047 1.750000 23 6 0 4.914263 2.155062 1.652003 24 6 0 4.344393 3.363267 2.064589 25 6 0 3.058731 3.358533 2.573508 26 6 0 2.359078 2.156583 2.664603 27 6 0 2.920376 0.959297 2.261591 28 1 0 5.890522 2.124303 1.248418 29 1 0 4.879978 4.271887 1.985643 30 1 0 2.610192 4.262767 2.890577 31 1 0 1.371632 2.126623 3.045681 32 1 0 2.284747 0.105543 2.327951 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518921 0.000000 3 O 1.401508 2.392827 0.000000 4 N 5.630726 6.245979 6.292374 0.000000 5 C 4.230172 4.906524 4.932413 1.401815 0.000000 6 N 3.756558 4.361567 4.753752 2.340221 1.282917 7 C 2.491475 3.158191 3.641524 3.604652 2.307164 8 O 2.664707 3.084966 4.002652 4.624035 3.435561 9 N 1.505219 2.461480 2.360346 4.129379 2.729664 10 C 2.519033 3.398536 2.737450 3.659433 2.401506 11 C 3.756600 4.526243 4.082288 2.438278 1.451700 12 H 1.109087 2.173507 2.064983 6.048595 4.665361 13 H 2.179625 1.102532 3.355250 6.058881 4.789695 14 H 2.168861 1.112471 2.677741 7.341679 5.987920 15 H 6.170442 6.794360 6.661738 0.992376 2.082167 16 C 6.556707 7.083976 7.386920 1.396981 2.488355 17 H 2.705447 3.547884 2.377325 4.534911 3.382450 18 Br 5.357123 6.074030 5.315938 3.097637 2.925023 19 H 2.135482 1.097763 2.613415 6.129675 4.863249 20 H 1.958441 2.577308 0.990352 7.252520 5.878993 21 O 6.476835 6.892920 7.486899 2.303492 2.901727 22 C 7.943219 8.428443 8.692826 2.420196 3.763922 23 C 8.914913 9.280980 9.785857 3.653571 4.885119 24 C 10.237026 10.584132 11.057881 4.832554 6.141085 25 C 10.648763 11.067167 11.323443 5.064039 6.450725 26 C 9.838109 10.350967 10.383596 4.243906 5.634761 27 C 8.477709 9.036613 9.039409 2.872499 4.264720 28 H 8.736590 9.033760 9.724757 3.918602 4.955596 29 H 11.015065 11.296268 11.903657 5.757008 7.012552 30 H 11.683842 12.085310 12.336282 6.098290 7.487370 31 H 10.342125 10.897644 10.765772 4.859343 6.206310 32 H 8.067186 8.722270 8.483309 2.680944 3.962475 6 7 8 9 10 6 N 0.000000 7 C 1.369713 0.000000 8 O 2.284792 1.224167 0.000000 9 N 2.409217 1.419458 2.255340 0.000000 10 C 2.752437 2.386559 3.473093 1.346999 0.000000 11 C 2.385384 2.740527 3.961884 2.349659 1.350974 12 H 3.973788 2.634517 2.411862 2.135059 3.301466 13 H 4.039875 2.902064 2.556388 2.724779 3.816814 14 H 5.404428 4.137837 3.877660 3.435710 4.357697 15 H 3.222872 4.386128 5.480674 4.673370 3.939264 16 C 2.879090 4.248695 5.023152 5.103204 4.883422 17 H 3.814077 3.343893 4.321931 2.070628 1.061767 18 Br 4.124905 4.640715 5.862381 4.112337 2.845634 19 H 4.565093 3.570057 3.788561 2.689192 3.226351 20 H 5.606024 4.402474 4.550861 3.228589 3.719607 21 O 2.742892 4.024996 4.531907 5.136251 5.228375 22 C 4.344169 5.709301 6.508443 6.464162 6.070338 23 C 5.220275 6.567922 7.193325 7.483831 7.242854 24 C 6.577944 7.930940 8.583266 8.788011 8.449778 25 C 7.117366 8.475891 9.270236 9.160649 8.626502 26 C 6.486587 7.815167 8.734698 8.336246 7.657930 27 C 5.135954 6.455539 7.399938 6.973707 6.326854 28 H 5.026278 6.315116 6.777209 7.376060 7.326529 29 H 7.330565 8.660707 9.214516 9.598194 9.345717 30 H 8.172439 9.528980 10.323558 10.194725 9.626083 31 H 7.176516 8.463368 9.454013 8.846943 8.038749 32 H 5.011140 6.246038 7.293550 6.572366 5.771059 11 12 13 14 15 11 C 0.000000 12 H 4.424588 0.000000 13 H 4.730542 2.530895 0.000000 14 H 5.560892 2.519894 1.793879 0.000000 15 H 2.599866 6.689045 6.713316 7.888673 0.000000 16 C 3.766339 6.832513 6.708110 8.169613 2.021176 17 H 2.102409 3.602375 4.219027 4.351560 4.652208 18 Br 1.900715 6.118757 6.408728 7.051134 2.577688 19 H 4.292547 3.067601 1.802101 1.796895 6.550119 20 H 5.067433 2.329248 3.590370 2.425809 7.643577 21 O 4.329792 6.623903 6.353439 7.938870 3.120025 22 C 4.825603 8.283653 8.068489 9.529654 2.449264 23 C 6.064214 9.190756 8.785441 10.366703 3.808801 24 C 7.213131 10.551717 10.103848 11.677978 4.780930 25 C 7.315171 11.045924 10.705249 12.176815 4.740863 26 C 6.315160 10.291246 10.112337 11.461258 3.722119 27 C 4.991323 8.914815 8.818092 10.143506 2.392165 28 H 6.264775 8.927769 8.434728 10.088460 4.309193 29 H 8.146359 11.290075 10.742025 12.374926 5.780615 30 H 8.304948 12.096340 11.724923 13.195905 5.721600 31 H 6.689261 10.846592 10.746819 12.001290 4.173784 32 H 4.422144 8.553058 8.631816 9.815222 1.930227 16 17 18 19 20 16 C 0.000000 17 H 5.828678 0.000000 18 Br 4.460238 2.965692 0.000000 19 H 7.069137 3.211355 5.611510 0.000000 20 H 8.311644 3.317562 6.274970 2.909930 0.000000 21 O 1.206739 6.250552 5.373557 7.009462 8.346685 22 C 1.499723 6.924280 5.009142 8.306390 9.641382 23 C 2.451354 8.144835 6.362241 9.203228 10.704352 24 C 3.761039 9.297232 7.244134 10.442455 11.991619 25 C 4.281562 9.370716 6.986063 10.833225 12.288029 26 C 3.796500 8.322831 5.773379 10.071698 11.364374 27 C 2.552471 7.035376 4.644100 8.801710 10.018350 28 H 2.577239 8.292408 6.849429 9.046574 10.600785 29 H 4.594490 10.222027 8.261054 11.184417 12.818115 30 H 5.339451 10.339052 7.857587 11.821231 13.304245 31 H 4.639511 8.599235 5.854012 10.556161 11.753579 32 H 2.870917 6.377805 3.800478 8.446960 9.472257 21 22 23 24 25 21 O 0.000000 22 C 2.340319 0.000000 23 C 2.699706 1.398993 0.000000 24 C 4.097679 2.432861 1.398120 0.000000 25 C 4.929630 2.785967 2.395936 1.382731 0.000000 26 C 4.722009 2.382428 2.748514 2.399495 1.393735 27 C 3.613568 1.379819 2.403547 2.801020 2.423380 28 H 2.321683 2.114328 1.056839 2.142821 3.361283 29 H 4.720585 3.393644 2.143231 1.057674 2.120552 30 H 5.963081 3.843862 3.359350 2.121039 1.057998 31 H 5.653255 3.325878 3.807017 3.365879 2.141694 32 H 4.056722 2.175072 3.401732 3.863194 3.352803 26 27 28 29 30 26 C 0.000000 27 C 1.382377 0.000000 28 H 3.804959 3.347466 0.000000 29 H 3.360124 3.858684 2.485320 0.000000 30 H 2.133104 3.377092 4.246207 2.443546 0.000000 31 H 1.058852 2.091902 4.863180 4.246685 2.474106 32 H 2.079813 1.066453 4.271111 4.920449 4.207727 31 32 31 H 0.000000 32 H 2.331025 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.561259 -0.782086 -0.049155 2 6 0 -4.899330 -1.276744 1.346603 3 8 0 -5.240704 0.415584 -0.310235 4 7 0 1.027751 -0.129786 -0.255411 5 6 0 -0.362367 -0.310468 -0.252227 6 7 0 -0.881539 -1.480476 -0.338365 7 6 0 -2.240729 -1.648586 -0.317050 8 8 0 -2.784659 -2.744667 -0.353510 9 7 0 -3.081232 -0.520093 -0.130179 10 6 0 -2.529703 0.707203 -0.067211 11 6 0 -1.189445 0.873213 -0.102991 12 1 0 -4.826823 -1.545035 -0.809063 13 1 0 -4.357387 -2.205917 1.588498 14 1 0 -5.990076 -1.480857 1.425347 15 1 0 1.408565 0.776842 -0.121928 16 6 0 1.978446 -1.149417 -0.345350 17 1 0 -3.177360 1.540569 0.048507 18 35 0 -0.406959 2.598962 0.046084 19 1 0 -4.634285 -0.490159 2.065018 20 1 0 -6.215102 0.244408 -0.265029 21 8 0 1.726305 -2.324743 -0.239274 22 6 0 3.381030 -0.675070 -0.106767 23 6 0 4.304898 -1.672475 0.223130 24 6 0 5.647020 -1.358074 0.456799 25 6 0 6.053896 -0.040377 0.356439 26 6 0 5.124010 0.943706 0.025700 27 6 0 3.795330 0.637625 -0.202095 28 1 0 3.962391 -2.670607 0.280831 29 1 0 6.347475 -2.112105 0.700671 30 1 0 7.065387 0.217299 0.529211 31 1 0 5.410965 1.959105 -0.062567 32 1 0 3.176624 1.455190 -0.495542 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4941956 0.1427760 0.1131817 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1885.2332308278 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= 339 RedAO= T EigKep= 4.37D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999992 -0.003477 -0.001449 -0.001018 Ang= -0.45 deg. 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) = -3457.09991232 A.U. after 16 cycles NFock= 16 Conv=0.45D-08 -V/T= 2.0039 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 0.007391110 0.001998007 -0.008672280 2 6 0.014285440 -0.001436490 0.005191076 3 8 0.012512759 -0.023828334 -0.004927714 4 7 0.017719959 -0.012322959 -0.026397810 5 6 -0.012587488 0.009738957 0.011958461 6 7 -0.006272925 -0.010095027 -0.003587242 7 6 0.047642374 -0.013954225 -0.005909295 8 8 -0.042597587 0.009982612 0.014320598 9 7 0.000156855 -0.002210924 -0.016479291 10 6 0.000037078 0.009596649 0.004160687 11 6 0.001686717 0.002873304 -0.004149741 12 1 -0.010786247 0.009126051 0.018354161 13 1 -0.010886322 -0.011379590 0.002021036 14 1 -0.008353402 0.014824438 0.001283831 15 1 0.001471311 -0.011143070 -0.000301228 16 6 0.052184070 0.005084824 0.038235661 17 1 -0.000973284 -0.008442097 0.000801622 18 35 0.002082278 -0.004317883 -0.001317418 19 1 0.006247391 -0.001513350 -0.007263152 20 1 -0.019139237 0.038476461 0.003315024 21 8 -0.038936060 -0.009269419 -0.008134334 22 6 0.005573023 0.006443454 -0.017684114 23 6 -0.019268363 0.008216342 0.007712174 24 6 -0.003313419 -0.026791751 -0.002346732 25 6 0.000894077 -0.019100836 -0.002563061 26 6 0.008683643 0.005733861 -0.000583136 27 6 -0.006450572 0.016821686 0.000513270 28 1 0.010937398 0.000208191 -0.004182821 29 1 0.008621465 0.010393269 -0.001532485 30 1 -0.006876511 0.011143032 0.004162488 31 1 -0.012308523 0.004291679 0.005236096 32 1 0.000622991 -0.009146860 -0.001234331 ------------------------------------------------------------------- Cartesian Forces: Max 0.052184070 RMS 0.014510551 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.045538209 RMS 0.009035770 Search for a local minimum. Step number 19 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 6 7 8 9 10 11 12 13 15 14 19 18 ITU= 0 0 0 -1 0 1 1 1 1 1 1 1 1 -1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- -0.00457 0.00001 0.00284 0.00750 0.01333 Eigenvalues --- 0.01511 0.01553 0.01575 0.01666 0.01736 Eigenvalues --- 0.01774 0.01842 0.01903 0.02038 0.02089 Eigenvalues --- 0.02098 0.02118 0.02122 0.02149 0.02473 Eigenvalues --- 0.02563 0.02592 0.02612 0.03228 0.05133 Eigenvalues --- 0.05550 0.05778 0.06553 0.07010 0.08366 Eigenvalues --- 0.12885 0.14328 0.15705 0.15772 0.15875 Eigenvalues --- 0.15999 0.16001 0.16006 0.16020 0.16099 Eigenvalues --- 0.16266 0.17782 0.19661 0.20557 0.21598 Eigenvalues --- 0.21917 0.22012 0.23094 0.23456 0.24036 Eigenvalues --- 0.24254 0.24576 0.24911 0.25424 0.26000 Eigenvalues --- 0.26681 0.27925 0.29618 0.31520 0.33551 Eigenvalues --- 0.33739 0.33788 0.33968 0.34569 0.34925 Eigenvalues --- 0.35388 0.35651 0.38351 0.38394 0.38436 Eigenvalues --- 0.38527 0.38631 0.39163 0.39697 0.41052 Eigenvalues --- 0.42952 0.43699 0.45146 0.47402 0.48759 Eigenvalues --- 0.49702 0.51619 0.54560 0.55871 0.56175 Eigenvalues --- 0.57978 0.64584 0.73066 0.87294 0.89839 RFO step: Lambda=-4.80528643D-03 EMin=-4.56960669D-03 I= 1 Eig= -4.57D-03 Dot1= -5.87D-04 I= 1 Stepn= -6.00D-01 RXN= 6.00D-01 EDone=F Mixed 1 eigenvectors in step. Raw Step.Grad= 5.87D-04. RFO eigenvector is Hessian eigenvector with negative curvature. Taking step of 6.00D-01 in eigenvector direction(s). Step.Grad= -5.02D-05. Quartic linear search produced a step of -0.99225. Iteration 1 RMS(Cart)= 0.15687591 RMS(Int)= 0.00689856 Iteration 2 RMS(Cart)= 0.01697941 RMS(Int)= 0.00182299 Iteration 3 RMS(Cart)= 0.00007742 RMS(Int)= 0.00182257 Iteration 4 RMS(Cart)= 0.00000003 RMS(Int)= 0.00182257 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87034 0.00177 0.00089 -0.00560 -0.00471 2.86563 R2 2.64847 -0.00657 -0.00666 -0.01001 -0.01667 2.63179 R3 2.84445 -0.02792 -0.06819 0.00215 -0.06604 2.77841 R4 2.09587 -0.02175 -0.05524 -0.02743 -0.08267 2.01321 R5 2.08348 -0.01587 -0.04172 -0.01169 -0.05341 2.03008 R6 2.10227 -0.01706 -0.04808 -0.01428 -0.06237 2.03990 R7 2.07447 -0.00925 -0.02393 -0.00681 -0.03074 2.04373 R8 1.87149 -0.04309 -0.07881 -0.02627 -0.10508 1.76641 R9 2.64905 -0.02656 -0.05593 -0.01904 -0.07497 2.57408 R10 1.87532 -0.00264 -0.00292 -0.01819 -0.02110 1.85421 R11 2.63991 -0.00250 -0.01213 0.01423 0.00210 2.64202 R12 2.42436 -0.00310 -0.00273 -0.01197 -0.01463 2.40973 R13 2.74332 -0.00644 -0.01045 0.00291 -0.00754 2.73578 R14 2.58838 -0.00897 -0.00850 -0.00106 -0.00948 2.57890 R15 2.31334 -0.04554 -0.04940 -0.01465 -0.06405 2.24929 R16 2.68239 -0.01278 -0.02650 -0.00652 -0.03303 2.64936 R17 2.54546 -0.00564 -0.00021 -0.00278 -0.00306 2.54239 R18 2.55297 -0.01266 -0.01786 -0.01099 -0.02893 2.52404 R19 2.00645 0.00750 0.01291 0.00799 0.02090 2.02735 R20 3.59183 -0.00302 -0.00519 0.00712 0.00193 3.59376 R21 2.28041 -0.03409 -0.03723 -0.01935 -0.05658 2.22383 R22 2.83407 0.00879 0.01436 0.04795 0.06231 2.89637 R23 2.64371 -0.00800 -0.01581 -0.01675 -0.03242 2.61129 R24 2.60748 0.01232 0.02496 0.04103 0.06598 2.67346 R25 2.64206 -0.01308 -0.02603 0.00424 -0.02165 2.62041 R26 1.99714 0.01169 0.02911 0.00515 0.03426 2.03140 R27 2.61298 0.00407 0.00323 -0.02126 -0.01802 2.59497 R28 1.99871 0.01341 0.03227 0.00871 0.04098 2.03969 R29 2.63378 -0.01037 -0.01388 0.00704 -0.00698 2.62680 R30 1.99933 0.01369 0.03231 0.00974 0.04205 2.04138 R31 2.61231 0.00313 0.00150 -0.01671 -0.01535 2.59696 R32 2.00094 0.01324 0.02979 0.01061 0.04040 2.04134 R33 2.01530 0.00687 0.01545 -0.00158 0.01387 2.02918 A1 1.91939 0.00693 0.02615 0.00006 0.02565 1.94504 A2 1.90180 0.01015 0.04590 0.00887 0.05445 1.95626 A3 1.93081 -0.00179 0.00266 -0.00434 -0.00116 1.92966 A4 1.89432 -0.01509 -0.05048 0.02530 -0.02592 1.86841 A5 1.92212 0.00348 0.01092 -0.00793 0.00325 1.92536 A6 1.89472 -0.00403 -0.03823 -0.02143 -0.05942 1.83530 A7 1.94621 -0.00151 -0.01647 -0.02355 -0.03976 1.90645 A8 1.92093 -0.00055 -0.00874 0.01708 0.00777 1.92870 A9 1.89050 0.00446 0.02853 0.03611 0.06440 1.95490 A10 1.88787 0.00044 0.00267 -0.01213 -0.00955 1.87832 A11 1.91942 -0.00116 -0.00148 -0.00838 -0.00932 1.91010 A12 1.89850 -0.00176 -0.00470 -0.00914 -0.01481 1.88369 A13 1.89735 -0.00176 0.00992 0.01812 0.02804 1.92539 A14 2.09207 -0.01797 -0.09412 -0.05669 -0.15056 1.94151 A15 2.19066 0.01580 0.06617 0.03528 0.10164 2.29231 A16 1.99800 0.00227 0.02966 0.01842 0.04820 2.04620 A17 2.11613 -0.00019 0.00557 0.01053 0.01448 2.13060 A18 2.04892 -0.00291 -0.00774 -0.02353 -0.03276 2.01616 A19 2.11760 0.00317 0.00258 0.00806 0.00971 2.12730 A20 2.10884 0.00202 0.01853 0.00314 0.02249 2.13133 A21 2.15357 0.00060 0.00532 -0.02212 -0.01727 2.13630 A22 2.08524 -0.00893 -0.03326 -0.01502 -0.04808 2.03716 A23 2.04054 0.00887 0.03173 0.03789 0.06911 2.10965 A24 2.03860 0.00416 0.00613 0.03037 0.03642 2.07502 A25 2.16358 -0.01440 -0.03636 -0.04314 -0.07958 2.08400 A26 2.08068 0.01023 0.03055 0.01195 0.04285 2.12352 A27 2.11405 -0.00186 -0.00448 0.00016 -0.00437 2.10968 A28 2.06062 -0.00293 -0.02697 -0.01293 -0.04029 2.02034 A29 2.10782 0.00486 0.03211 0.01339 0.04507 2.15289 A30 2.05753 -0.00445 -0.01157 -0.01017 -0.02148 2.03605 A31 2.11044 0.00919 0.03844 0.00428 0.04253 2.15297 A32 2.11520 -0.00474 -0.02691 0.00592 -0.02118 2.09402 A33 2.16884 -0.00533 -0.00477 -0.05436 -0.04625 2.12259 A34 1.97726 0.00517 0.02567 0.03933 0.07775 2.05500 A35 2.08229 0.00709 0.03346 -0.03582 0.01044 2.09273 A36 2.01487 0.00529 0.01022 -0.04469 -0.03454 1.98033 A37 2.17818 -0.00061 0.00432 0.07501 0.07921 2.25739 A38 2.09009 -0.00469 -0.01455 -0.03047 -0.04495 2.04514 A39 2.10949 -0.00060 -0.00346 0.01964 0.01638 2.12588 A40 2.06258 0.00089 0.00906 -0.00274 0.00621 2.06879 A41 2.11106 -0.00028 -0.00555 -0.01688 -0.02255 2.08852 A42 2.07674 0.00660 0.01735 0.00339 0.02085 2.09759 A43 2.11059 -0.00548 -0.02067 -0.02155 -0.04227 2.06831 A44 2.09583 -0.00111 0.00334 0.01814 0.02144 2.11727 A45 2.08721 0.00110 0.00415 -0.00605 -0.00210 2.08511 A46 2.09620 0.00063 0.00188 0.02312 0.02507 2.12127 A47 2.09977 -0.00173 -0.00604 -0.01707 -0.02304 2.07673 A48 2.12239 -0.00732 -0.02468 0.00321 -0.02180 2.10058 A49 2.11305 -0.00103 -0.01628 -0.02094 -0.03708 2.07597 A50 2.04775 0.00835 0.04095 0.01773 0.05883 2.10658 A51 2.08043 0.00492 0.02115 0.01028 0.03141 2.11183 A52 2.18235 -0.00863 -0.05250 0.02971 -0.02243 2.15992 A53 2.01886 0.00377 0.03265 -0.04238 -0.00953 2.00933 D1 -3.11625 0.00497 0.01538 -0.03377 -0.01841 -3.13465 D2 1.07174 0.00576 0.02815 -0.01463 0.01358 1.08532 D3 -1.00182 0.00553 0.02186 -0.03506 -0.01378 -1.01560 D4 -1.04187 -0.00316 -0.00191 0.00244 0.00086 -1.04101 D5 -3.13706 -0.00237 0.01087 0.02158 0.03284 -3.10422 D6 1.07257 -0.00260 0.00457 0.00115 0.00548 1.07805 D7 1.03984 -0.00286 -0.01855 -0.02097 -0.03933 1.00051 D8 -1.05536 -0.00207 -0.00578 -0.00182 -0.00735 -1.06270 D9 -3.12891 -0.00230 -0.01207 -0.02226 -0.03471 3.11957 D10 -1.07078 0.00087 0.00061 0.02438 0.02507 -1.04571 D11 3.13344 -0.00643 -0.03908 -0.00167 -0.04075 3.09269 D12 1.06148 0.00551 0.02962 0.01374 0.04328 1.10476 D13 1.38891 -0.00116 -0.03067 0.16443 0.13317 1.52208 D14 -1.78057 -0.00126 -0.00669 0.12990 0.12322 -1.65735 D15 -2.80430 0.00426 -0.00342 0.18453 0.18099 -2.62330 D16 0.30942 0.00416 0.02056 0.14999 0.17104 0.48045 D17 -0.71513 -0.00260 -0.03720 0.17724 0.13984 -0.57529 D18 2.39858 -0.00270 -0.01322 0.14270 0.12989 2.52847 D19 -3.06453 -0.00281 -0.07118 0.11486 0.04269 -3.02184 D20 0.04220 -0.00068 -0.02006 -0.04412 -0.06468 -0.02248 D21 -0.00244 -0.00134 -0.03500 0.06701 0.03251 0.03007 D22 3.10428 0.00079 0.01612 -0.09196 -0.07485 3.02943 D23 -0.19437 0.01019 0.14655 -0.09690 0.05012 -0.14425 D24 -2.98214 -0.01306 -0.19923 0.06647 -0.13180 -3.11394 D25 2.87147 0.01073 0.17838 -0.14558 0.03184 2.90331 D26 0.08370 -0.01253 -0.16740 0.01779 -0.15008 -0.06638 D27 3.12674 0.00050 0.02144 -0.09830 -0.07778 3.04896 D28 0.02139 -0.00159 -0.03179 0.06757 0.03721 0.05860 D29 -3.11515 -0.00139 -0.03981 0.11969 0.07942 -3.03574 D30 0.02099 -0.00066 -0.02251 0.12573 0.10297 0.12397 D31 -0.00846 0.00067 0.01133 -0.03937 -0.02762 -0.03608 D32 3.12769 0.00140 0.02862 -0.03334 -0.00407 3.12362 D33 -3.09994 -0.00432 -0.03627 -0.07191 -0.10636 3.07688 D34 -0.05533 0.00298 0.06467 -0.06021 0.00361 -0.05172 D35 -3.09079 -0.00327 -0.05558 -0.00847 -0.06482 3.12758 D36 0.07730 -0.00276 -0.07822 0.02530 -0.05258 0.02472 D37 -0.03999 0.00319 0.03898 -0.00060 0.03875 -0.00124 D38 3.12810 0.00369 0.01634 0.03316 0.05098 -3.10410 D39 3.10421 0.00175 0.03512 0.03570 0.07069 -3.10828 D40 0.00221 -0.00035 -0.01200 0.01770 0.00630 0.00851 D41 -0.06589 0.00154 0.05958 0.00063 0.06028 -0.00561 D42 3.11529 -0.00056 0.01247 -0.01737 -0.00411 3.11117 D43 0.03182 -0.00098 -0.02638 0.00408 -0.02252 0.00930 D44 -3.10431 -0.00175 -0.04326 -0.00197 -0.04544 3.13343 D45 3.13276 0.00100 0.02228 0.02196 0.04488 -3.10555 D46 -0.00337 0.00023 0.00541 0.01592 0.02196 0.01859 D47 2.81181 0.00824 0.14480 -0.07819 0.06601 2.87782 D48 -0.33933 0.00839 0.14342 -0.09576 0.04680 -0.29253 D49 0.00480 -0.01100 -0.18205 0.08146 -0.09973 -0.09493 D50 3.13684 -0.01085 -0.18343 0.06389 -0.11894 3.01790 D51 3.13107 0.00112 0.01097 -0.00400 0.00803 3.13910 D52 0.00041 0.00029 -0.00134 -0.00613 -0.00681 -0.00640 D53 -0.00149 0.00096 0.01217 0.01199 0.02400 0.02251 D54 -3.13215 0.00014 -0.00014 0.00986 0.00916 -3.12299 D55 -3.12677 -0.00124 -0.01081 0.01064 0.00001 -3.12677 D56 -0.04770 0.00021 0.02752 -0.03907 -0.01053 -0.05823 D57 0.00488 -0.00104 -0.01210 -0.00767 -0.01972 -0.01483 D58 3.08396 0.00041 0.02622 -0.05738 -0.03025 3.05371 D59 -0.00077 -0.00032 -0.00519 -0.00633 -0.01172 -0.01249 D60 -3.13523 -0.00058 -0.01103 -0.00418 -0.01544 3.13251 D61 3.12958 0.00053 0.00745 -0.00405 0.00347 3.13305 D62 -0.00489 0.00028 0.00161 -0.00189 -0.00025 -0.00513 D63 -0.00041 -0.00020 -0.00194 -0.00331 -0.00566 -0.00607 D64 -3.14114 0.00003 0.00142 0.00515 0.00659 -3.13454 D65 3.13412 0.00004 0.00383 -0.00561 -0.00210 3.13202 D66 -0.00661 0.00027 0.00719 0.00285 0.01016 0.00355 D67 0.00393 0.00007 0.00185 0.00762 0.00959 0.01352 D68 -3.13579 0.00024 0.00457 0.01384 0.01866 -3.11713 D69 -3.13853 -0.00016 -0.00150 -0.00083 -0.00233 -3.14086 D70 0.00493 0.00001 0.00122 0.00538 0.00675 0.01168 D71 -0.00618 0.00055 0.00524 -0.00208 0.00332 -0.00286 D72 -3.09098 -0.00031 -0.02843 0.04072 0.01361 -3.07738 D73 3.13361 0.00038 0.00248 -0.00811 -0.00602 3.12759 D74 0.04881 -0.00049 -0.03120 0.03469 0.00427 0.05308 Item Value Threshold Converged? Maximum Force 0.045538 0.000450 NO RMS Force 0.009036 0.000300 NO Maximum Displacement 0.525343 0.001800 NO RMS Displacement 0.150123 0.001200 NO Predicted change in Energy=-1.262204D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.702706 -6.556156 1.374627 2 6 0 7.764340 -6.808339 2.427665 3 8 0 5.649771 -7.460818 1.486349 4 7 0 4.554485 -1.503257 1.772470 5 6 0 5.079906 -2.742859 1.565700 6 7 0 6.172856 -2.918079 0.932592 7 6 0 6.754807 -4.146955 0.816028 8 8 0 7.739804 -4.327760 0.172724 9 7 0 6.126109 -5.207990 1.482732 10 6 0 4.988841 -5.029862 2.179102 11 6 0 4.419119 -3.824835 2.264668 12 1 0 7.126338 -6.600413 0.398138 13 1 0 8.553746 -6.088677 2.313725 14 1 0 8.196137 -7.789656 2.301894 15 1 0 3.773986 -1.542439 2.365812 16 6 0 4.989884 -0.236919 1.370620 17 1 0 4.573796 -5.911681 2.627531 18 35 0 2.804358 -3.604604 3.244791 19 1 0 7.363348 -6.747076 3.430202 20 1 0 5.961141 -8.335863 1.381018 21 8 0 6.039786 -0.077765 0.863440 22 6 0 4.163868 0.975558 1.814187 23 6 0 4.827601 2.178212 1.664004 24 6 0 4.239467 3.385579 2.009254 25 6 0 2.958200 3.413334 2.502461 26 6 0 2.254592 2.223082 2.645474 27 6 0 2.840400 1.025617 2.311584 28 1 0 5.828204 2.166920 1.271289 29 1 0 4.809662 4.292551 1.877755 30 1 0 2.476546 4.341869 2.772233 31 1 0 1.239254 2.256871 3.012688 32 1 0 2.201940 0.166411 2.396244 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.516427 0.000000 3 O 1.392684 2.404831 0.000000 4 N 5.504990 6.235089 6.064161 0.000000 5 C 4.148641 4.947453 4.752913 1.362143 0.000000 6 N 3.702937 4.461187 4.606164 2.307864 1.275173 7 C 2.473660 3.271008 3.556983 3.570061 2.310582 8 O 2.736036 3.352407 3.988723 4.547885 3.395195 9 N 1.470273 2.477461 2.302639 4.034724 2.679234 10 C 2.431890 3.305777 2.612716 3.576444 2.369586 11 C 3.669749 4.485351 3.916716 2.377037 1.447711 12 H 1.065342 2.137583 2.026019 5.872325 4.520155 13 H 2.127625 1.074271 3.316685 6.108446 4.880738 14 H 2.147483 1.079468 2.693925 7.284280 5.976876 15 H 5.890433 6.607303 6.270505 0.981208 1.945922 16 C 6.547253 7.210999 7.254899 1.398094 2.515133 17 H 2.552915 3.320168 2.204505 4.490624 3.380099 18 Br 5.235102 5.960959 5.104790 3.105854 2.956361 19 H 2.167553 1.081494 2.687813 6.175388 4.972346 20 H 1.928035 2.584633 0.934746 6.986875 5.665013 21 O 6.532253 7.121904 7.419543 2.250440 2.918436 22 C 7.960253 8.598186 8.572504 2.509750 3.837642 23 C 8.938061 9.485025 9.675662 3.693179 4.928515 24 C 10.261988 10.794247 10.950193 4.904694 6.201680 25 C 10.709065 11.295450 11.248299 5.220526 6.578592 26 C 9.923496 10.581650 10.327087 4.465115 5.814540 27 C 8.560291 9.253622 8.977369 3.102247 4.446700 28 H 8.767410 9.254247 9.631793 3.917109 4.975194 29 H 11.024119 11.500534 11.789855 5.802379 7.047511 30 H 11.772029 12.345308 12.289275 6.283539 7.643728 31 H 10.497714 11.184679 10.780346 5.164055 6.468515 32 H 8.154354 8.921233 8.419624 2.951500 4.175685 6 7 8 9 10 6 N 0.000000 7 C 1.364695 0.000000 8 O 2.240519 1.190272 0.000000 9 N 2.355532 1.401981 2.257197 0.000000 10 C 2.723106 2.399194 3.476535 1.345377 0.000000 11 C 2.381644 2.767266 3.956781 2.332029 1.335663 12 H 3.841139 2.516370 2.364763 2.028704 3.194895 13 H 4.198673 3.041309 2.889155 2.712854 3.721258 14 H 5.449855 4.189809 4.089784 3.408965 4.233000 15 H 3.114656 4.250956 5.319338 4.443937 3.697682 16 C 2.963091 4.325611 5.072671 5.100502 4.860652 17 H 3.793609 3.339553 4.307957 2.053149 1.072826 18 Br 4.142989 4.668949 5.858257 4.087754 2.817627 19 H 4.724039 3.736958 4.075043 2.773479 3.186276 20 H 5.440432 4.300706 4.548462 3.133871 3.537224 21 O 2.844271 4.131806 4.629213 5.168190 5.230556 22 C 4.469189 5.826614 6.603551 6.495885 6.072792 23 C 5.321358 6.666403 7.282342 7.501664 7.228254 24 C 6.680816 8.030554 8.667225 8.813971 8.450447 25 C 7.272228 8.626486 9.392335 9.241360 8.689973 26 C 6.687173 8.011004 8.894693 8.459400 7.765231 27 C 5.344120 6.656934 7.565548 7.095121 6.426677 28 H 5.107907 6.397724 6.858711 7.383952 7.302213 29 H 7.398974 8.725602 9.262971 9.599446 9.329003 30 H 8.351875 9.705173 10.470042 10.304462 9.720739 31 H 7.446297 8.732448 9.678838 9.052418 8.237157 32 H 5.236843 6.467674 7.470578 6.716978 5.900442 11 12 13 14 15 11 C 0.000000 12 H 4.303115 0.000000 13 H 4.714078 2.443121 0.000000 14 H 5.476045 2.486576 1.738205 0.000000 15 H 2.373975 6.379114 6.596749 7.654229 0.000000 16 C 3.741421 6.782640 6.916186 8.257794 2.042840 17 H 2.123799 3.458325 3.996224 4.093188 4.449547 18 Br 1.901735 5.979784 6.331901 6.890211 2.442397 19 H 4.308880 3.044848 1.759846 1.747453 6.411293 20 H 4.848510 2.309876 3.555473 2.478218 7.204448 21 O 4.316310 6.628879 6.674908 8.135864 3.088080 22 C 4.828235 8.256921 8.332105 9.660540 2.607030 23 C 6.046836 9.162470 9.091080 10.540984 3.930125 24 C 7.217173 10.519019 10.414761 11.858616 4.962779 25 C 7.387958 11.048832 11.028780 12.368638 5.024328 26 C 6.434865 10.326591 10.434305 11.647958 4.070125 27 C 5.101121 8.954712 9.124445 10.314701 2.733027 28 H 6.234857 8.905822 8.756148 10.286042 4.379170 29 H 8.135981 11.234452 11.044371 12.554993 5.946254 30 H 8.409890 12.123960 12.080516 13.420464 6.039339 31 H 6.903493 10.951945 11.119286 12.240759 4.612817 32 H 4.567629 8.604186 8.915064 9.961842 2.322159 16 17 18 19 20 16 C 0.000000 17 H 5.827167 0.000000 18 Br 4.430614 2.972294 0.000000 19 H 7.228924 3.020557 5.540207 0.000000 20 H 8.156981 3.058624 5.985294 2.947810 0.000000 21 O 1.176798 6.268630 5.345785 7.267723 8.274676 22 C 1.532695 6.947203 4.987261 8.513944 9.493176 23 C 2.438292 8.151023 6.327191 9.445116 10.578788 24 C 3.754128 9.323792 7.242150 10.698057 11.863855 25 C 4.328182 9.464762 7.058766 11.113054 12.178626 26 C 3.893415 8.458924 5.884160 10.352725 11.261824 27 C 2.664525 7.157555 4.723464 9.062180 9.911725 28 H 2.547761 8.287142 6.807998 9.299295 10.504197 29 H 4.561334 10.234460 8.261664 11.436991 12.690528 30 H 5.408021 10.466837 7.967258 12.135833 13.221300 31 H 4.794018 8.831351 6.071269 10.897243 11.711729 32 H 2.997868 6.528583 3.911967 8.689389 9.351520 21 22 23 24 25 21 O 0.000000 22 C 2.352121 0.000000 23 C 2.683230 1.381837 0.000000 24 C 4.068020 2.419084 1.386663 0.000000 25 C 4.936632 2.805372 2.392321 1.373197 0.000000 26 C 4.774644 2.427486 2.754210 2.386609 1.390043 27 C 3.681119 1.414736 2.386797 2.760111 2.398230 28 H 2.291226 2.117568 1.074969 2.133965 3.362478 29 H 4.652064 3.379872 2.125193 1.079358 2.142707 30 H 5.989434 3.885480 3.381869 2.145813 1.080251 31 H 5.754555 3.410505 3.834237 3.358890 2.133663 32 H 4.139827 2.200607 3.387863 3.829402 3.335525 26 27 28 29 30 26 C 0.000000 27 C 1.374254 0.000000 28 H 3.829130 3.363296 0.000000 29 H 3.376460 3.839149 2.433832 0.000000 30 H 2.134149 3.367806 4.268119 2.499190 0.000000 31 H 1.080232 2.138037 4.909076 4.263788 2.436376 32 H 2.072386 1.073794 4.291544 4.908572 4.201336 31 32 31 H 0.000000 32 H 2.382602 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.544484 -0.714177 -0.060277 2 6 0 -5.059874 -1.012257 1.334382 3 8 0 -5.073545 0.475264 -0.555143 4 7 0 0.937813 -0.229212 -0.179199 5 6 0 -0.411999 -0.399288 -0.246385 6 7 0 -0.946717 -1.555425 -0.305464 7 6 0 -2.299352 -1.732069 -0.265895 8 8 0 -2.806571 -2.802218 -0.385299 9 7 0 -3.080596 -0.581009 -0.091907 10 6 0 -2.526337 0.641288 0.002039 11 6 0 -1.201651 0.799933 -0.061490 12 1 0 -4.765159 -1.520272 -0.720935 13 1 0 -4.625362 -1.930643 1.683414 14 1 0 -6.131468 -1.141796 1.321861 15 1 0 1.170513 0.712411 -0.030992 16 6 0 1.986723 -1.153517 -0.190095 17 1 0 -3.213964 1.458353 0.104659 18 35 0 -0.446155 2.540868 0.060830 19 1 0 -4.828749 -0.217359 2.030333 20 1 0 -6.006028 0.423927 -0.594996 21 8 0 1.789108 -2.311673 -0.123179 22 6 0 3.415130 -0.613286 -0.059870 23 6 0 4.345453 -1.586839 0.250232 24 6 0 5.690791 -1.288973 0.405727 25 6 0 6.136654 -0.001076 0.237815 26 6 0 5.230061 0.998363 -0.095996 27 6 0 3.895405 0.704970 -0.241571 28 1 0 4.006751 -2.599288 0.375872 29 1 0 6.370006 -2.089506 0.656385 30 1 0 7.180557 0.254302 0.347318 31 1 0 5.593429 2.004152 -0.248482 32 1 0 3.280327 1.525438 -0.560232 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5079663 0.1405702 0.1124527 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1887.3531466276 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= 339 RedAO= T EigKep= 4.27D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999990 0.004278 0.000031 -0.000921 Ang= 0.50 deg. B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999962 0.008632 0.001308 -0.000048 Ang= 1.00 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. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3457.11070667 A.U. after 14 cycles NFock= 14 Conv=0.99D-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 0.001671796 0.001024153 0.003766499 2 6 0.000630465 0.003111591 -0.000723180 3 8 -0.012393103 0.014548227 0.002408571 4 7 -0.013935114 0.010457152 -0.009054380 5 6 0.012273558 0.003824940 0.019550643 6 7 -0.000630079 0.001101985 -0.006846491 7 6 -0.010844316 0.007347660 -0.002833829 8 8 0.009893796 -0.010377372 -0.000610582 9 7 0.002205066 -0.012073761 0.000710065 10 6 -0.002908201 -0.003091960 0.001754291 11 6 -0.006258598 -0.002220795 -0.002745869 12 1 0.005861825 -0.000462075 -0.008589052 13 1 0.005181922 0.004374095 0.000827020 14 1 0.001036341 -0.004966062 -0.001830405 15 1 -0.013324585 0.009676886 0.005333262 16 6 -0.004452063 -0.002430147 0.028879943 17 1 0.000231860 0.003788281 0.000385623 18 35 0.002122516 -0.001746427 -0.001360880 19 1 -0.003125383 0.001363786 0.001146244 20 1 0.006478257 -0.013162416 -0.001995689 21 8 0.011772426 0.003097181 -0.018546689 22 6 -0.012736642 -0.005904225 -0.002922038 23 6 0.007651799 0.004219238 -0.000508499 24 6 0.008202162 0.003997650 -0.002548520 25 6 -0.008626838 0.002473014 0.003538715 26 6 -0.001252789 0.008816694 0.002209361 27 6 0.007543520 -0.012253623 -0.008371843 28 1 -0.002376394 0.000066651 0.000998041 29 1 -0.003395941 -0.001623173 0.001054856 30 1 0.003738697 -0.001890625 -0.001461657 31 1 0.003699559 -0.003184896 -0.001584604 32 1 0.006064484 -0.007901628 -0.000028926 ------------------------------------------------------------------- Cartesian Forces: Max 0.028879943 RMS 0.007271479 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.027106458 RMS 0.006200713 Search for a local minimum. Step number 20 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 6 7 8 9 10 11 12 13 15 14 19 20 18 ITU= 0 0 0 0 -1 0 1 1 1 1 1 1 1 1 -1 1 1 0 1 0 Use linear search instead of GDIIS. Energy rises -- skip Quadratic/GDIIS search. Quartic linear search produced a step of -0.97646. Iteration 1 RMS(Cart)= 0.15566255 RMS(Int)= 0.00519395 Iteration 2 RMS(Cart)= 0.01527319 RMS(Int)= 0.00003305 Iteration 3 RMS(Cart)= 0.00004622 RMS(Int)= 0.00001912 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00001912 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86563 0.00156 0.00547 0.00000 0.00547 2.87111 R2 2.63179 0.00360 0.00973 0.00000 0.00973 2.64152 R3 2.77841 -0.00289 -0.00262 0.00000 -0.00262 2.77579 R4 2.01321 0.01022 0.02636 0.00000 0.02636 2.03957 R5 2.03008 0.00665 0.01110 0.00000 0.01110 2.04117 R6 2.03990 0.00514 0.01358 0.00000 0.01358 2.05348 R7 2.04373 0.00230 0.00647 0.00000 0.00647 2.05019 R8 1.76641 0.01470 0.02505 0.00000 0.02505 1.79147 R9 2.57408 0.01088 0.01816 0.00000 0.01816 2.59224 R10 1.85421 0.01344 0.01774 0.00000 0.01774 1.87195 R11 2.64202 -0.00661 -0.01399 0.00000 -0.01399 2.62803 R12 2.40973 0.00783 0.01160 0.00000 0.01160 2.42133 R13 2.73578 0.00547 -0.00293 0.00000 -0.00294 2.73284 R14 2.57890 0.00490 0.00089 0.00000 0.00089 2.57979 R15 2.24929 0.01009 0.01393 0.00000 0.01393 2.26322 R16 2.64936 -0.00166 0.00617 0.00000 0.00618 2.65554 R17 2.54239 0.00564 0.00279 0.00000 0.00279 2.54519 R18 2.52404 0.00496 0.01067 0.00000 0.01067 2.53471 R19 2.02735 -0.00304 -0.00770 0.00000 -0.00770 2.01965 R20 3.59376 -0.00271 -0.00699 0.00000 -0.00699 3.58677 R21 2.22383 0.01892 0.01861 0.00000 0.01861 2.24243 R22 2.89637 -0.01780 -0.04671 0.00000 -0.04671 2.84967 R23 2.61129 0.00636 0.01610 0.00000 0.01610 2.62739 R24 2.67346 -0.01935 -0.03987 0.00000 -0.03987 2.63360 R25 2.62041 0.00155 -0.00447 0.00000 -0.00448 2.61594 R26 2.03140 -0.00258 -0.00481 0.00000 -0.00481 2.02659 R27 2.59497 0.00643 0.02077 0.00000 0.02077 2.61574 R28 2.03969 -0.00329 -0.00826 0.00000 -0.00826 2.03143 R29 2.62680 0.00233 -0.00685 0.00000 -0.00684 2.61996 R30 2.04138 -0.00366 -0.00927 0.00000 -0.00927 2.03211 R31 2.59696 0.00522 0.01646 0.00000 0.01646 2.61343 R32 2.04134 -0.00412 -0.01013 0.00000 -0.01013 2.03121 R33 2.02918 0.00271 0.00166 0.00000 0.00166 2.03084 A1 1.94504 0.00420 0.00069 0.00000 0.00069 1.94573 A2 1.95626 -0.00232 -0.00800 0.00000 -0.00799 1.94826 A3 1.92966 -0.00156 0.00375 0.00000 0.00375 1.93340 A4 1.86841 -0.00296 -0.02437 0.00000 -0.02436 1.84404 A5 1.92536 0.00022 0.00758 0.00000 0.00758 1.93294 A6 1.83530 0.00225 0.02039 0.00000 0.02039 1.85569 A7 1.90645 0.00301 0.02262 0.00000 0.02262 1.92907 A8 1.92870 -0.00182 -0.01619 0.00000 -0.01618 1.91252 A9 1.95490 -0.00404 -0.03481 0.00000 -0.03481 1.92009 A10 1.87832 0.00028 0.01195 0.00000 0.01195 1.89027 A11 1.91010 0.00021 0.00765 0.00000 0.00764 1.91774 A12 1.88369 0.00250 0.00984 0.00000 0.00985 1.89355 A13 1.92539 -0.00304 -0.01762 0.00000 -0.01762 1.90777 A14 1.94151 0.01477 0.05439 0.00000 0.05440 1.99591 A15 2.29231 -0.01001 -0.03413 0.00000 -0.03412 2.25818 A16 2.04620 -0.00469 -0.01788 0.00000 -0.01788 2.02833 A17 2.13060 -0.00494 -0.00865 0.00000 -0.00855 2.12205 A18 2.01616 0.01047 0.02438 0.00000 0.02448 2.04064 A19 2.12730 -0.00463 -0.00694 0.00000 -0.00688 2.12042 A20 2.13133 0.00119 -0.00372 0.00000 -0.00374 2.12759 A21 2.13630 0.00954 0.02211 0.00000 0.02210 2.15840 A22 2.03716 0.00278 0.01422 0.00000 0.01423 2.05139 A23 2.10965 -0.01228 -0.03626 0.00000 -0.03627 2.07339 A24 2.07502 -0.00807 -0.02953 0.00000 -0.02953 2.04549 A25 2.08400 0.01008 0.04193 0.00000 0.04193 2.12593 A26 2.12352 -0.00201 -0.01177 0.00000 -0.01176 2.11176 A27 2.10968 0.00116 -0.00013 0.00000 -0.00014 2.10954 A28 2.02034 0.00144 0.01280 0.00000 0.01280 2.03314 A29 2.15289 -0.00259 -0.01241 0.00000 -0.01241 2.14048 A30 2.03605 0.00157 0.00958 0.00000 0.00956 2.04562 A31 2.15297 0.00175 -0.00370 0.00000 -0.00369 2.14928 A32 2.09402 -0.00332 -0.00581 0.00000 -0.00580 2.08823 A33 2.12259 0.01510 0.04047 0.00000 0.04056 2.16315 A34 2.05500 -0.02617 -0.05066 0.00000 -0.05057 2.00444 A35 2.09273 0.01234 0.02274 0.00000 0.02283 2.11556 A36 1.98033 0.01720 0.04378 0.00000 0.04379 2.02412 A37 2.25739 -0.02711 -0.07309 0.00000 -0.07309 2.18430 A38 2.04514 0.00993 0.02958 0.00000 0.02958 2.07472 A39 2.12588 -0.00524 -0.01940 0.00000 -0.01941 2.10647 A40 2.06879 0.00267 0.00286 0.00000 0.00286 2.07164 A41 2.08852 0.00257 0.01655 0.00000 0.01655 2.10507 A42 2.09759 -0.00240 -0.00328 0.00000 -0.00328 2.09431 A43 2.06831 0.00336 0.02093 0.00000 0.02093 2.08925 A44 2.11727 -0.00095 -0.01764 0.00000 -0.01764 2.09963 A45 2.08511 0.00002 0.00614 0.00000 0.00614 2.09125 A46 2.12127 -0.00257 -0.02263 0.00000 -0.02263 2.09864 A47 2.07673 0.00255 0.01655 0.00000 0.01655 2.09329 A48 2.10058 0.00045 -0.00300 0.00000 -0.00300 2.09759 A49 2.07597 0.00291 0.02018 0.00000 0.02018 2.09615 A50 2.10658 -0.00336 -0.01714 0.00000 -0.01714 2.08943 A51 2.11183 -0.00275 -0.00986 0.00000 -0.00985 2.10198 A52 2.15992 -0.00779 -0.02976 0.00000 -0.02975 2.13017 A53 2.00933 0.01063 0.04144 0.00000 0.04144 2.05078 D1 -3.13465 0.00200 0.03311 0.00000 0.03310 -3.10155 D2 1.08532 0.00091 0.01445 0.00000 0.01444 1.09976 D3 -1.01560 0.00169 0.03497 0.00000 0.03497 -0.98063 D4 -1.04101 -0.00047 -0.00271 0.00000 -0.00272 -1.04372 D5 -3.10422 -0.00157 -0.02137 0.00000 -0.02138 -3.12560 D6 1.07805 -0.00079 -0.00086 0.00000 -0.00085 1.07720 D7 1.00051 -0.00012 0.02015 0.00000 0.02015 1.02066 D8 -1.06270 -0.00122 0.00149 0.00000 0.00149 -1.06122 D9 3.11957 -0.00044 0.02201 0.00000 0.02201 3.14158 D10 -1.04571 -0.00119 -0.02388 0.00000 -0.02388 -1.06959 D11 3.09269 0.00107 0.00133 0.00000 0.00133 3.09403 D12 1.10476 -0.00009 -0.01311 0.00000 -0.01311 1.09165 D13 1.52208 -0.00138 -0.16023 0.00000 -0.16022 1.36186 D14 -1.65735 -0.00105 -0.12691 0.00000 -0.12691 -1.78426 D15 -2.62330 0.00040 -0.18009 0.00000 -0.18009 -2.80340 D16 0.48045 0.00073 -0.14677 0.00000 -0.14678 0.33367 D17 -0.57529 0.00037 -0.17316 0.00000 -0.17316 -0.74845 D18 2.52847 0.00070 -0.13984 0.00000 -0.13984 2.38862 D19 -3.02184 -0.00436 -0.11173 0.00000 -0.11172 -3.13356 D20 -0.02248 0.00236 0.04342 0.00000 0.04342 0.02094 D21 0.03007 -0.00330 -0.06619 0.00000 -0.06619 -0.03612 D22 3.02943 0.00342 0.08896 0.00000 0.08895 3.11837 D23 -0.14425 0.00417 0.09528 0.00000 0.09525 -0.04900 D24 -3.11394 -0.00531 -0.06737 0.00000 -0.06736 3.10188 D25 2.90331 0.00605 0.14445 0.00000 0.14444 3.04776 D26 -0.06638 -0.00343 -0.01819 0.00000 -0.01817 -0.08455 D27 3.04896 0.00600 0.09706 0.00000 0.09709 -3.13714 D28 0.05860 -0.00235 -0.06762 0.00000 -0.06764 -0.00904 D29 -3.03574 -0.00384 -0.11672 0.00000 -0.11671 3.13074 D30 0.12397 -0.00397 -0.12270 0.00000 -0.12269 0.00128 D31 -0.03608 0.00284 0.03812 0.00000 0.03812 0.00204 D32 3.12362 0.00270 0.03214 0.00000 0.03214 -3.12742 D33 3.07688 0.00304 0.06816 0.00000 0.06817 -3.13814 D34 -0.05172 0.00021 0.06012 0.00000 0.06013 0.00841 D35 3.12758 0.00175 0.00860 0.00000 0.00861 3.13619 D36 0.02472 0.00115 -0.02563 0.00000 -0.02564 -0.00092 D37 -0.00124 -0.00121 0.00053 0.00000 0.00054 -0.00070 D38 -3.10410 -0.00182 -0.03370 0.00000 -0.03371 -3.13781 D39 -3.10828 -0.00073 -0.03447 0.00000 -0.03446 3.14045 D40 0.00851 -0.00059 -0.01796 0.00000 -0.01795 -0.00944 D41 -0.00561 -0.00052 -0.00023 0.00000 -0.00022 -0.00584 D42 3.11117 -0.00038 0.01629 0.00000 0.01628 3.12746 D43 0.00930 -0.00127 -0.00397 0.00000 -0.00396 0.00534 D44 3.13343 -0.00109 0.00180 0.00000 0.00181 3.13524 D45 -3.10555 -0.00149 -0.02190 0.00000 -0.02189 -3.12744 D46 0.01859 -0.00131 -0.01612 0.00000 -0.01612 0.00247 D47 2.87782 0.00421 0.07804 0.00000 0.07805 2.95587 D48 -0.29253 0.00535 0.09544 0.00000 0.09545 -0.19708 D49 -0.09493 -0.00547 -0.08177 0.00000 -0.08179 -0.17672 D50 3.01790 -0.00433 -0.06438 0.00000 -0.06438 2.95352 D51 3.13910 0.00014 0.00295 0.00000 0.00295 -3.14114 D52 -0.00640 0.00022 0.00533 0.00000 0.00532 -0.00107 D53 0.02251 -0.00017 -0.01146 0.00000 -0.01146 0.01106 D54 -3.12299 -0.00009 -0.00909 0.00000 -0.00908 -3.13206 D55 -3.12677 -0.00122 -0.01065 0.00000 -0.01066 -3.13743 D56 -0.05823 0.00093 0.03736 0.00000 0.03737 -0.02086 D57 -0.01483 0.00002 0.00734 0.00000 0.00734 -0.00749 D58 3.05371 0.00218 0.05535 0.00000 0.05537 3.10908 D59 -0.01249 0.00023 0.00633 0.00000 0.00633 -0.00616 D60 3.13251 0.00016 0.00422 0.00000 0.00422 3.13673 D61 3.13305 0.00015 0.00394 0.00000 0.00394 3.13699 D62 -0.00513 0.00008 0.00183 0.00000 0.00183 -0.00330 D63 -0.00607 0.00011 0.00362 0.00000 0.00362 -0.00245 D64 -3.13454 -0.00020 -0.00504 0.00000 -0.00504 -3.13958 D65 3.13202 0.00019 0.00582 0.00000 0.00582 3.13784 D66 0.00355 -0.00012 -0.00284 0.00000 -0.00284 0.00070 D67 0.01352 -0.00020 -0.00755 0.00000 -0.00754 0.00598 D68 -3.11713 -0.00044 -0.01373 0.00000 -0.01372 -3.13085 D69 -3.14086 0.00006 0.00080 0.00000 0.00080 -3.14006 D70 0.01168 -0.00017 -0.00539 0.00000 -0.00539 0.00630 D71 -0.00286 0.00011 0.00192 0.00000 0.00191 -0.00095 D72 -3.07738 -0.00118 -0.04127 0.00000 -0.04125 -3.11863 D73 3.12759 0.00039 0.00831 0.00000 0.00831 3.13590 D74 0.05308 -0.00090 -0.03487 0.00000 -0.03486 0.01822 Item Value Threshold Converged? Maximum Force 0.027106 0.000450 NO RMS Force 0.006201 0.000300 NO Maximum Displacement 0.491772 0.001800 NO RMS Displacement 0.156921 0.001200 NO Predicted change in Energy=-4.757893D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.617023 -6.551450 1.319530 2 6 0 7.773414 -6.821822 2.267161 3 8 0 5.557645 -7.436593 1.539012 4 7 0 4.649369 -1.417240 1.953434 5 6 0 5.165484 -2.677256 1.787026 6 7 0 6.252184 -2.877055 1.138243 7 6 0 6.768890 -4.128635 0.964335 8 8 0 7.782918 -4.351221 0.367214 9 7 0 6.058077 -5.207508 1.517068 10 6 0 4.910509 -5.008336 2.193408 11 6 0 4.417705 -3.772519 2.363734 12 1 0 6.945483 -6.595414 0.292371 13 1 0 8.566169 -6.104853 2.111592 14 1 0 8.171172 -7.815961 2.081971 15 1 0 3.809782 -1.385672 2.478195 16 6 0 5.158652 -0.192689 1.534948 17 1 0 4.422519 -5.880712 2.571634 18 35 0 2.792202 -3.532668 3.313865 19 1 0 7.429852 -6.774648 3.295160 20 1 0 5.852970 -8.323775 1.382809 21 8 0 6.199456 -0.062801 0.979989 22 6 0 4.287078 0.996960 1.849745 23 6 0 4.866782 2.245395 1.653681 24 6 0 4.154461 3.403738 1.912746 25 6 0 2.848535 3.326481 2.365036 26 6 0 2.256719 2.087115 2.554484 27 6 0 2.969762 0.929867 2.299640 28 1 0 5.877685 2.293762 1.298957 29 1 0 4.619770 4.360671 1.759881 30 1 0 2.290895 4.223763 2.565772 31 1 0 1.239664 2.021958 2.896093 32 1 0 2.462175 -0.006884 2.440264 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519324 0.000000 3 O 1.397832 2.412007 0.000000 4 N 5.534764 6.250407 6.101584 0.000000 5 C 4.163520 4.920290 4.781903 1.371753 0.000000 6 N 3.696911 4.376046 4.629513 2.316164 1.281310 7 C 2.453417 3.155896 3.569307 3.580831 2.313922 8 O 2.665937 3.116690 3.980511 4.576404 3.415990 9 N 1.468884 2.472050 2.284673 4.067064 2.696623 10 C 2.461109 3.389749 2.596816 3.608567 2.379936 11 C 3.694566 4.535235 3.924929 2.401949 1.446157 12 H 1.079293 2.153259 2.046409 5.902945 4.555694 13 H 2.150809 1.080142 3.339550 6.110651 4.839258 14 H 2.143754 1.086655 2.696154 7.305015 5.960490 15 H 5.992359 6.731021 6.367946 0.990595 1.995954 16 C 6.527411 7.163695 7.254885 1.390692 2.497331 17 H 2.614097 3.493836 2.185311 4.511786 3.380790 18 Br 5.264947 6.060247 5.102784 3.126480 2.948803 19 H 2.147934 1.084916 2.650922 6.183295 4.918379 20 H 1.931041 2.593463 0.948002 7.033811 5.702562 21 O 6.510931 7.058224 7.422752 2.277031 2.925027 22 C 7.917592 8.571005 8.534384 2.443433 3.778279 23 C 8.975493 9.541451 9.707282 3.681305 4.933507 24 C 10.272384 10.852857 10.937155 4.846484 6.165748 25 C 10.623940 11.280605 11.129481 5.090707 6.461207 26 C 9.755110 10.482635 10.130563 4.285620 5.634637 27 C 8.380527 9.119474 8.790526 2.906862 4.253858 28 H 8.876081 9.360827 9.738576 3.963412 5.045440 29 H 11.102130 11.629744 11.836546 5.781227 7.059104 30 H 11.677916 12.334996 12.152769 6.144775 7.516233 31 H 10.242308 11.013532 10.485743 4.933840 6.222918 32 H 7.832634 8.641910 8.099060 2.647626 3.855579 6 7 8 9 10 6 N 0.000000 7 C 1.365167 0.000000 8 O 2.260707 1.197644 0.000000 9 N 2.369008 1.405253 2.242871 0.000000 10 C 2.730536 2.395428 3.466630 1.346855 0.000000 11 C 2.380966 2.759204 3.955458 2.338131 1.341308 12 H 3.875868 2.562755 2.396518 2.052719 3.205289 13 H 4.089084 2.907206 2.594525 2.729324 3.817446 14 H 5.382000 4.100228 3.885300 3.404161 4.304312 15 H 3.159909 4.309517 5.388556 4.537072 3.796893 16 C 2.925579 4.290704 5.054084 5.094870 4.866786 17 H 3.797926 3.340455 4.300127 2.059214 1.068751 18 Br 4.139401 4.657200 5.853206 4.086503 2.814292 19 H 4.607648 3.587618 3.817135 2.738486 3.268150 20 H 5.466804 4.314305 4.531812 3.125894 3.540825 21 O 2.819194 4.105547 4.612309 5.174598 5.252817 22 C 4.401803 5.763251 6.559103 6.460846 6.047342 23 C 5.331464 6.687412 7.326267 7.548749 7.273914 24 C 6.666982 8.029406 8.700216 8.828016 8.450642 25 C 7.181483 8.538729 9.342726 9.156919 8.587802 26 C 6.527823 7.843712 8.762146 8.290843 7.584088 27 C 5.159050 6.465668 7.402070 6.915019 6.248203 28 H 5.186852 6.492566 6.975232 7.506609 7.419980 29 H 7.445528 8.793175 9.372411 9.678726 9.383536 30 H 8.255378 9.611431 10.417597 10.209815 9.603784 31 H 7.226045 8.493164 9.477701 8.796817 7.962028 32 H 4.929231 6.141254 7.175034 6.389781 5.574029 11 12 13 14 15 11 C 0.000000 12 H 4.318442 0.000000 13 H 4.765827 2.485324 0.000000 14 H 5.524249 2.488919 1.756357 0.000000 15 H 2.465707 6.461568 6.710312 7.779931 0.000000 16 C 3.748477 6.762518 6.848166 8.215156 2.032824 17 H 2.118424 3.474361 4.175131 4.247041 4.537572 18 Br 1.898035 5.979931 6.434305 6.985518 2.518612 19 H 4.353546 3.046880 1.772196 1.762304 6.543195 20 H 4.871974 2.317299 3.579971 2.474018 7.315173 21 O 4.341820 6.610931 6.586976 8.075489 3.115310 22 C 4.798873 8.193697 8.295476 9.633674 2.509920 23 C 6.076276 9.183358 9.144494 10.598740 3.870623 24 C 7.195231 10.507066 10.484083 11.918231 4.834975 25 C 7.270357 10.932745 11.032027 12.351704 4.810529 26 C 6.248325 10.123634 10.349572 11.544476 3.805007 27 C 4.920679 8.744446 8.991241 10.177993 2.469664 28 H 6.329697 9.009487 8.855792 10.396138 4.382358 29 H 8.158079 11.295942 11.190395 12.688048 5.847436 30 H 8.276755 11.995338 12.094033 13.407709 5.812095 31 H 6.630183 10.658088 10.969876 12.062058 4.288600 32 H 4.243815 8.253619 8.634350 9.680016 1.928352 16 17 18 19 20 16 C 0.000000 17 H 5.828397 0.000000 18 Br 4.463193 2.953328 0.000000 19 H 7.181844 3.219731 5.658496 0.000000 20 H 8.162095 3.070514 6.004330 2.922916 0.000000 21 O 1.186645 6.287999 5.394103 7.205747 8.278044 22 C 1.507979 6.916779 4.989572 8.506712 9.462882 23 C 2.458360 8.189848 6.359725 9.519714 10.618535 24 C 3.753054 9.311659 7.206429 10.781409 11.861717 25 C 4.290715 9.343045 6.924693 11.130427 12.071448 26 C 3.828599 8.256951 5.696084 10.287893 11.076664 27 C 2.576068 6.969108 4.579782 8.957847 9.735675 28 H 2.599065 8.399955 6.894008 9.414357 10.617898 29 H 4.590650 10.275396 8.249829 11.586586 12.749829 30 H 5.365787 10.326871 7.808533 12.161658 13.096889 31 H 4.702748 8.525727 5.782628 10.763734 11.428334 32 H 2.850457 6.193711 3.647363 8.438679 9.043583 21 22 23 24 25 21 O 0.000000 22 C 2.353032 0.000000 23 C 2.749118 1.390355 0.000000 24 C 4.131456 2.411252 1.384295 0.000000 25 C 4.963291 2.785965 2.397518 1.384189 0.000000 26 C 4.758818 2.409866 2.765669 2.397237 1.386421 27 C 3.627368 1.393639 2.397199 2.770061 2.400568 28 H 2.399722 2.124875 1.072424 2.139692 3.373245 29 H 4.761380 3.381318 2.132296 1.074989 2.138465 30 H 6.013833 3.861308 3.373580 2.138168 1.075348 31 H 5.711148 3.381153 3.840507 3.372288 2.138285 32 H 4.012830 2.164875 3.387271 3.843754 3.356523 26 27 28 29 30 26 C 0.000000 27 C 1.382967 0.000000 28 H 3.838026 3.364163 0.000000 29 H 3.374086 3.845033 2.463110 0.000000 30 H 2.136951 3.373638 4.265534 2.468169 0.000000 31 H 1.074869 2.131116 4.912836 4.264466 2.462142 32 H 2.107152 1.074673 4.273320 4.918706 4.235972 31 32 31 H 0.000000 32 H 2.412159 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.528543 -0.699132 -0.223144 2 6 0 -5.097431 -1.146671 1.112678 3 8 0 -5.037272 0.545580 -0.605008 4 7 0 0.983914 -0.247501 -0.017070 5 6 0 -0.379553 -0.391164 -0.062095 6 7 0 -0.929972 -1.543925 -0.161786 7 6 0 -2.285924 -1.694018 -0.212281 8 8 0 -2.833555 -2.755355 -0.301805 9 7 0 -3.070799 -0.529500 -0.161250 10 6 0 -2.501176 0.687168 -0.064986 11 6 0 -1.167677 0.820178 -0.008435 12 1 0 -4.715698 -1.439130 -0.986197 13 1 0 -4.664425 -2.089911 1.411863 14 1 0 -6.172666 -1.277201 1.025206 15 1 0 1.293394 0.689676 0.067775 16 6 0 1.974800 -1.223254 -0.025835 17 1 0 -3.165343 1.524252 -0.044947 18 35 0 -0.401374 2.552145 0.116486 19 1 0 -4.902573 -0.394584 1.869934 20 1 0 -5.978210 0.483184 -0.702219 21 8 0 1.756108 -2.389569 -0.028696 22 6 0 3.386413 -0.692875 -0.018949 23 6 0 4.388252 -1.630918 0.203499 24 6 0 5.719000 -1.250573 0.230343 25 6 0 6.064240 0.074396 0.027255 26 6 0 5.074438 1.016857 -0.205599 27 6 0 3.744696 0.637556 -0.228269 28 1 0 4.109925 -2.655391 0.355423 29 1 0 6.480400 -1.988319 0.408116 30 1 0 7.096864 0.373945 0.045433 31 1 0 5.338099 2.045240 -0.373692 32 1 0 3.014872 1.399106 -0.433986 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5074857 0.1430294 0.1133871 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.4617284637 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= 339 RedAO= T EigKep= 4.23D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 1.000000 0.000100 0.000005 -0.000029 Ang= 0.01 deg. B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999991 -0.004176 -0.000026 0.000892 Ang= -0.49 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -3457.12166304 A.U. after 7 cycles NFock= 7 Conv=0.96D-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 -0.001537309 -0.000419221 0.001131863 2 6 -0.000127813 -0.000425623 -0.000175229 3 8 0.000575665 -0.001239334 -0.001192094 4 7 -0.000264015 -0.001488032 0.000521445 5 6 -0.000653794 0.000125925 -0.000493568 6 7 0.000132455 0.000401507 0.000358827 7 6 -0.000142098 0.000638647 -0.001991401 8 8 -0.001144737 -0.000519513 0.001420230 9 7 0.001049261 0.000742648 -0.000694617 10 6 0.000680979 0.000060962 0.000342572 11 6 -0.000955209 -0.000382585 0.000923138 12 1 0.000308213 0.000502292 0.000425075 13 1 0.000242269 0.000211658 0.000090618 14 1 0.000258958 0.000045737 0.000211726 15 1 -0.000010874 0.000760436 0.001012798 16 6 0.000931002 0.001379527 -0.001963581 17 1 -0.000273174 0.000324110 0.000087469 18 35 0.001134948 -0.000081473 -0.000629825 19 1 0.000173861 0.000111396 -0.000169944 20 1 -0.000318798 0.000649477 0.000130817 21 8 -0.000695813 -0.000544714 0.000756532 22 6 -0.000640751 -0.000515296 0.000470145 23 6 0.000105802 0.001560883 0.000555915 24 6 0.001327366 -0.000909587 -0.000480581 25 6 -0.001232643 -0.000949441 0.000393231 26 6 -0.000023246 0.001995609 -0.000033731 27 6 0.000767213 -0.001161897 -0.000632379 28 1 -0.000087967 -0.000097140 -0.000041270 29 1 -0.000174232 -0.000035321 0.000062355 30 1 0.000120129 -0.000022821 -0.000029391 31 1 0.000029989 -0.000160546 -0.000010220 32 1 0.000444362 -0.000558272 -0.000356926 ------------------------------------------------------------------- Cartesian Forces: Max 0.001995609 RMS 0.000739100 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002171128 RMS 0.000540500 Search for a local minimum. Step number 21 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 6 7 8 9 10 11 12 13 15 14 19 20 18 21 ITU= 0 0 0 0 0 -1 0 1 1 1 1 1 1 1 1 -1 1 1 0 1 ITU= 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00000 0.00283 0.00538 0.01264 0.01336 Eigenvalues --- 0.01494 0.01543 0.01629 0.01695 0.01716 Eigenvalues --- 0.01840 0.01877 0.02025 0.02068 0.02110 Eigenvalues --- 0.02115 0.02123 0.02135 0.02260 0.02518 Eigenvalues --- 0.02549 0.02581 0.02619 0.04478 0.05543 Eigenvalues --- 0.05695 0.05992 0.06478 0.07222 0.08772 Eigenvalues --- 0.13460 0.15549 0.15739 0.15862 0.15984 Eigenvalues --- 0.15999 0.16006 0.16019 0.16127 0.16272 Eigenvalues --- 0.16346 0.17600 0.19911 0.21620 0.21875 Eigenvalues --- 0.22013 0.22873 0.23232 0.23484 0.24267 Eigenvalues --- 0.24408 0.24860 0.25096 0.25368 0.26462 Eigenvalues --- 0.27674 0.29528 0.31665 0.32435 0.33464 Eigenvalues --- 0.33747 0.33821 0.34126 0.34521 0.35086 Eigenvalues --- 0.35356 0.38341 0.38371 0.38434 0.38450 Eigenvalues --- 0.38508 0.38764 0.39578 0.40290 0.42473 Eigenvalues --- 0.42866 0.44149 0.45232 0.48779 0.49036 Eigenvalues --- 0.50845 0.51901 0.55164 0.55965 0.56112 Eigenvalues --- 0.57975 0.64681 0.73099 0.88267 0.89855 RFO step: Lambda=-1.75999659D-03 EMin= 3.89155170D-07 Quartic linear search produced a step of -0.02229. Iteration 1 RMS(Cart)= 0.20385395 RMS(Int)= 0.03376269 Iteration 2 RMS(Cart)= 0.12958171 RMS(Int)= 0.00496482 Iteration 3 RMS(Cart)= 0.00859189 RMS(Int)= 0.00021315 Iteration 4 RMS(Cart)= 0.00003888 RMS(Int)= 0.00021233 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00021233 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87111 0.00040 0.00000 -0.00151 -0.00151 2.86960 R2 2.64152 0.00001 0.00001 0.00101 0.00102 2.64254 R3 2.77579 0.00029 -0.00000 0.00540 0.00540 2.78119 R4 2.03957 -0.00033 0.00001 -0.00209 -0.00207 2.03750 R5 2.04117 0.00031 0.00001 -0.00015 -0.00015 2.04103 R6 2.05348 0.00002 0.00001 -0.00098 -0.00097 2.05251 R7 2.05019 -0.00021 0.00000 -0.00114 -0.00113 2.04906 R8 1.79147 -0.00073 0.00001 -0.00174 -0.00173 1.78974 R9 2.59224 -0.00088 0.00001 -0.00275 -0.00274 2.58950 R10 1.87195 0.00057 0.00001 0.00480 0.00481 1.87676 R11 2.62803 0.00070 -0.00001 0.00782 0.00782 2.63584 R12 2.42133 -0.00032 0.00001 0.00051 0.00053 2.42186 R13 2.73284 0.00004 -0.00000 -0.00253 -0.00247 2.73038 R14 2.57979 -0.00041 0.00000 -0.00019 -0.00024 2.57955 R15 2.26322 -0.00158 0.00001 -0.00212 -0.00212 2.26110 R16 2.65554 -0.00055 0.00000 0.00126 0.00120 2.65674 R17 2.54519 -0.00001 0.00000 0.00124 0.00123 2.54642 R18 2.53471 -0.00027 0.00001 0.00004 0.00010 2.53480 R19 2.01965 -0.00011 -0.00000 -0.00069 -0.00070 2.01895 R20 3.58677 -0.00130 -0.00000 -0.01116 -0.01117 3.57560 R21 2.24243 -0.00102 0.00001 -0.00338 -0.00337 2.23907 R22 2.84967 -0.00106 -0.00003 -0.00861 -0.00863 2.84104 R23 2.62739 0.00048 0.00001 -0.00109 -0.00108 2.62631 R24 2.63360 -0.00123 -0.00002 -0.00435 -0.00433 2.62927 R25 2.61594 -0.00098 -0.00000 -0.00196 -0.00201 2.61393 R26 2.02659 -0.00007 -0.00000 0.00224 0.00223 2.02882 R27 2.61574 0.00095 0.00001 0.00385 0.00381 2.61955 R28 2.03143 -0.00012 -0.00000 0.00085 0.00085 2.03228 R29 2.61996 -0.00093 -0.00000 -0.00140 -0.00140 2.61855 R30 2.03211 -0.00009 -0.00000 0.00083 0.00083 2.03294 R31 2.61343 0.00087 0.00001 0.00322 0.00328 2.61671 R32 2.03121 -0.00002 -0.00001 0.00096 0.00095 2.03216 R33 2.03084 0.00023 0.00000 0.00194 0.00194 2.03277 A1 1.94573 0.00023 0.00000 -0.00104 -0.00103 1.94471 A2 1.94826 -0.00046 -0.00000 -0.00718 -0.00720 1.94106 A3 1.93340 -0.00000 0.00000 -0.00024 -0.00026 1.93314 A4 1.84404 0.00086 -0.00001 0.01500 0.01499 1.85904 A5 1.93294 -0.00030 0.00000 -0.00360 -0.00360 1.92934 A6 1.85569 -0.00033 0.00001 -0.00250 -0.00251 1.85319 A7 1.92907 0.00002 0.00001 0.00093 0.00095 1.93002 A8 1.91252 0.00050 -0.00001 0.00102 0.00101 1.91353 A9 1.92009 0.00001 -0.00002 0.00052 0.00050 1.92059 A10 1.89027 -0.00021 0.00001 -0.00042 -0.00042 1.88985 A11 1.91774 -0.00015 0.00000 -0.00156 -0.00156 1.91618 A12 1.89355 -0.00017 0.00000 -0.00053 -0.00052 1.89302 A13 1.90777 0.00017 -0.00001 0.00302 0.00301 1.91078 A14 1.99591 0.00100 0.00003 0.01246 0.01133 2.00724 A15 2.25818 -0.00073 -0.00002 0.00036 -0.00077 2.25742 A16 2.02833 -0.00028 -0.00001 -0.01603 -0.01712 2.01121 A17 2.12205 -0.00108 -0.00001 -0.00586 -0.00581 2.11624 A18 2.04064 0.00082 0.00001 0.00464 0.00470 2.04534 A19 2.12042 0.00026 -0.00001 0.00112 0.00096 2.12138 A20 2.12759 -0.00037 -0.00000 0.00005 -0.00032 2.12727 A21 2.15840 0.00082 0.00001 0.00245 0.00260 2.16100 A22 2.05139 0.00037 0.00001 -0.00020 -0.00056 2.05083 A23 2.07339 -0.00119 -0.00002 -0.00219 -0.00207 2.07131 A24 2.04549 -0.00050 -0.00002 -0.00427 -0.00449 2.04100 A25 2.12593 0.00053 0.00002 0.00528 0.00510 2.13102 A26 2.11176 -0.00003 -0.00001 -0.00120 -0.00186 2.10990 A27 2.10954 -0.00010 -0.00000 0.00102 0.00083 2.11037 A28 2.03314 0.00047 0.00001 0.00279 0.00289 2.03602 A29 2.14048 -0.00037 -0.00001 -0.00377 -0.00369 2.13679 A30 2.04562 -0.00012 0.00001 -0.00070 -0.00080 2.04482 A31 2.14928 -0.00008 -0.00000 -0.00242 -0.00237 2.14691 A32 2.08823 0.00021 -0.00000 0.00313 0.00318 2.09141 A33 2.16315 0.00052 0.00002 0.01109 0.01104 2.17418 A34 2.00444 -0.00211 -0.00003 -0.02278 -0.02289 1.98155 A35 2.11556 0.00159 0.00001 0.01150 0.01143 2.12700 A36 2.02412 0.00153 0.00002 0.01807 0.01795 2.04206 A37 2.18430 -0.00217 -0.00004 -0.02748 -0.02765 2.15664 A38 2.07472 0.00064 0.00002 0.00916 0.00917 2.08389 A39 2.10647 -0.00048 -0.00001 -0.00660 -0.00663 2.09984 A40 2.07164 0.00014 0.00000 0.00384 0.00384 2.07549 A41 2.10507 0.00033 0.00001 0.00276 0.00278 2.10785 A42 2.09431 0.00010 -0.00000 0.00061 0.00055 2.09486 A43 2.08925 0.00010 0.00001 0.00093 0.00097 2.09021 A44 2.09963 -0.00020 -0.00001 -0.00154 -0.00152 2.09811 A45 2.09125 0.00012 0.00000 0.00293 0.00290 2.09415 A46 2.09864 -0.00015 -0.00001 -0.00206 -0.00207 2.09656 A47 2.09329 0.00003 0.00001 -0.00091 -0.00090 2.09239 A48 2.09759 -0.00021 -0.00000 -0.00298 -0.00292 2.09467 A49 2.09615 0.00027 0.00001 0.00066 0.00061 2.09677 A50 2.08943 -0.00006 -0.00001 0.00229 0.00223 2.09166 A51 2.10198 -0.00018 -0.00001 -0.00335 -0.00353 2.09845 A52 2.13017 -0.00067 -0.00002 -0.02245 -0.02280 2.10737 A53 2.05078 0.00084 0.00002 0.02481 0.02442 2.07520 D1 -3.10155 -0.00031 0.00002 -0.00788 -0.00786 -3.10941 D2 1.09976 -0.00037 0.00001 -0.00858 -0.00857 1.09119 D3 -0.98063 -0.00048 0.00002 -0.00888 -0.00886 -0.98949 D4 -1.04372 0.00062 -0.00000 0.00562 0.00561 -1.03811 D5 -3.12560 0.00056 -0.00001 0.00492 0.00491 -3.12069 D6 1.07720 0.00045 -0.00000 0.00462 0.00462 1.08181 D7 1.02066 -0.00009 0.00001 -0.00230 -0.00228 1.01837 D8 -1.06122 -0.00015 0.00000 -0.00300 -0.00299 -1.06421 D9 3.14158 -0.00026 0.00001 -0.00330 -0.00328 3.13830 D10 -1.06959 0.00005 -0.00001 0.00471 0.00470 -1.06489 D11 3.09403 -0.00007 0.00000 0.00454 0.00453 3.09856 D12 1.09165 -0.00000 -0.00001 0.00103 0.00103 1.09267 D13 1.36186 0.00005 -0.00009 0.00819 0.00813 1.36999 D14 -1.78426 0.00010 -0.00007 -0.04083 -0.04090 -1.82515 D15 -2.80340 0.00062 -0.00010 0.01235 0.01226 -2.79114 D16 0.33367 0.00067 -0.00008 -0.03667 -0.03677 0.29690 D17 -0.74845 0.00053 -0.00009 0.01423 0.01414 -0.73430 D18 2.38862 0.00057 -0.00008 -0.03479 -0.03488 2.35374 D19 -3.13356 0.00016 -0.00006 0.02136 0.02159 -3.11197 D20 0.02094 -0.00000 0.00002 0.03089 0.03120 0.05214 D21 -0.03612 -0.00011 -0.00004 -0.07135 -0.07166 -0.10779 D22 3.11837 -0.00028 0.00005 -0.06181 -0.06205 3.05632 D23 -0.04900 -0.00062 0.00005 -0.12766 -0.12795 -0.17695 D24 3.10188 -0.00028 -0.00004 -0.10467 -0.10504 2.99684 D25 3.04776 -0.00087 0.00008 -0.22119 -0.22078 2.82698 D26 -0.08455 -0.00053 -0.00001 -0.19820 -0.19787 -0.28242 D27 -3.13714 -0.00002 0.00005 0.01300 0.01302 -3.12412 D28 -0.00904 0.00016 -0.00004 0.00305 0.00301 -0.00603 D29 3.13074 0.00009 -0.00006 0.01674 0.01664 -3.13580 D30 0.00128 0.00005 -0.00007 0.01475 0.01468 0.01596 D31 0.00204 -0.00006 0.00002 0.02632 0.02634 0.02838 D32 -3.12742 -0.00010 0.00002 0.02433 0.02438 -3.10304 D33 -3.13814 0.00037 0.00004 -0.03429 -0.03420 3.11084 D34 0.00841 -0.00020 0.00003 -0.04880 -0.04877 -0.04037 D35 3.13619 0.00020 0.00000 0.01914 0.01928 -3.12772 D36 -0.00092 0.00015 -0.00001 0.06771 0.06766 0.06674 D37 -0.00070 -0.00034 -0.00000 0.00535 0.00547 0.00477 D38 -3.13781 -0.00039 -0.00002 0.05393 0.05385 -3.08396 D39 3.14045 -0.00012 -0.00002 0.01101 0.01109 -3.13164 D40 -0.00944 -0.00007 -0.00001 0.01588 0.01597 0.00653 D41 -0.00584 -0.00007 -0.00000 -0.03985 -0.03984 -0.04568 D42 3.12746 -0.00003 0.00001 -0.03498 -0.03497 3.09249 D43 0.00534 0.00002 -0.00000 -0.00685 -0.00682 -0.00148 D44 3.13524 0.00006 0.00000 -0.00497 -0.00497 3.13028 D45 -3.12744 -0.00003 -0.00001 -0.01206 -0.01201 -3.13945 D46 0.00247 0.00000 -0.00001 -0.01018 -0.01016 -0.00769 D47 2.95587 -0.00080 0.00004 -0.38272 -0.38279 2.57308 D48 -0.19708 -0.00084 0.00005 -0.40884 -0.40868 -0.60575 D49 -0.17672 -0.00046 -0.00004 -0.36042 -0.36058 -0.53729 D50 2.95352 -0.00050 -0.00003 -0.38654 -0.38647 2.56705 D51 -3.14114 -0.00004 0.00000 -0.00159 -0.00177 3.14028 D52 -0.00107 -0.00001 0.00000 -0.00423 -0.00444 -0.00552 D53 0.01106 0.00002 -0.00001 0.02306 0.02325 0.03431 D54 -3.13206 0.00005 -0.00001 0.02041 0.02058 -3.11149 D55 -3.13743 0.00004 -0.00001 0.01222 0.01179 -3.12564 D56 -0.02086 -0.00006 0.00002 -0.03502 -0.03473 -0.05559 D57 -0.00749 -0.00000 0.00000 -0.01455 -0.01464 -0.02214 D58 3.10908 -0.00010 0.00003 -0.06178 -0.06117 3.04791 D59 -0.00616 -0.00002 0.00000 -0.01358 -0.01366 -0.01982 D60 3.13673 -0.00000 0.00000 -0.01070 -0.01073 3.12600 D61 3.13699 -0.00005 0.00000 -0.01089 -0.01094 3.12606 D62 -0.00330 -0.00003 0.00000 -0.00801 -0.00800 -0.01130 D63 -0.00245 -0.00001 0.00000 -0.00465 -0.00465 -0.00710 D64 -3.13958 0.00001 -0.00000 0.00496 0.00504 -3.13454 D65 3.13784 -0.00002 0.00000 -0.00754 -0.00759 3.13025 D66 0.00070 -0.00000 -0.00000 0.00207 0.00210 0.00280 D67 0.00598 0.00003 -0.00000 0.01311 0.01324 0.01921 D68 -3.13085 0.00003 -0.00001 0.02268 0.02284 -3.10802 D69 -3.14006 0.00001 0.00000 0.00352 0.00357 -3.13649 D70 0.00630 0.00002 -0.00000 0.01310 0.01317 0.01946 D71 -0.00095 -0.00002 0.00000 -0.00342 -0.00355 -0.00449 D72 -3.11863 0.00009 -0.00002 0.04236 0.04278 -3.07585 D73 3.13590 -0.00003 0.00000 -0.01296 -0.01312 3.12278 D74 0.01822 0.00008 -0.00002 0.03282 0.03320 0.05142 Item Value Threshold Converged? Maximum Force 0.002171 0.000450 NO RMS Force 0.000540 0.000300 NO Maximum Displacement 1.560004 0.001800 NO RMS Displacement 0.323063 0.001200 NO Predicted change in Energy=-1.544866D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.516284 -6.571249 1.348506 2 6 0 7.841193 -6.785359 2.058927 3 8 0 5.535861 -7.449571 1.820484 4 7 0 4.716454 -1.382960 2.046613 5 6 0 5.177128 -2.659477 1.856824 6 7 0 6.125266 -2.908299 1.031233 7 6 0 6.580528 -4.177275 0.817285 8 8 0 7.441735 -4.452483 0.033542 9 7 0 6.003665 -5.210591 1.576233 10 6 0 4.985831 -4.961347 2.423382 11 6 0 4.529901 -3.712914 2.604465 12 1 0 6.633813 -6.673382 0.281612 13 1 0 8.579038 -6.079353 1.707245 14 1 0 8.205831 -7.788304 1.856834 15 1 0 3.998190 -1.292586 2.726509 16 6 0 5.206316 -0.181040 1.535762 17 1 0 4.568043 -5.803195 2.931502 18 35 0 3.086877 -3.400323 3.787725 19 1 0 7.710408 -6.676832 3.129842 20 1 0 5.807550 -8.342386 1.659107 21 8 0 6.238646 -0.063624 0.966192 22 6 0 4.313227 0.996610 1.811039 23 6 0 4.931438 2.227086 1.998757 24 6 0 4.175072 3.356566 2.254724 25 6 0 2.792407 3.269477 2.301813 26 6 0 2.167355 2.052107 2.084036 27 6 0 2.924431 0.918243 1.841997 28 1 0 6.002235 2.283561 1.945524 29 1 0 4.663493 4.301557 2.412853 30 1 0 2.202323 4.148144 2.494326 31 1 0 1.093923 1.987764 2.089365 32 1 0 2.420540 -0.004566 1.614746 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518527 0.000000 3 O 1.398371 2.410931 0.000000 4 N 5.535800 6.240998 6.125874 0.000000 5 C 4.165776 4.915383 4.803646 1.370305 0.000000 6 N 3.697399 4.362586 4.646878 2.311364 1.281592 7 C 2.453046 3.151675 3.578500 3.576900 2.313847 8 O 2.659842 3.115134 3.975935 4.571825 3.415798 9 N 1.471743 2.467670 2.300333 4.065579 2.696309 10 C 2.467677 3.407776 2.618641 3.608236 2.378274 11 C 3.700437 4.549965 3.948315 2.403057 1.444852 12 H 1.078196 2.151547 2.043549 5.897462 4.551337 13 H 2.150723 1.080065 3.339348 6.090224 4.826066 14 H 2.143406 1.086141 2.691617 7.296588 5.956334 15 H 6.008658 6.736831 6.410443 0.993141 2.003655 16 C 6.525784 7.129748 7.281567 1.394828 2.499316 17 H 2.625153 3.526974 2.209432 4.510380 3.377703 18 Br 5.269288 6.086931 5.124839 3.123580 2.940473 19 H 2.147146 1.084316 2.653338 6.177558 4.917035 20 H 1.932796 2.592276 0.947088 7.055087 5.721187 21 O 6.524755 6.995994 7.468329 2.285831 2.942532 22 C 7.895561 8.547925 8.534219 2.424962 3.757045 23 C 8.963552 9.470716 9.697155 3.616758 4.894794 24 C 10.240314 10.785983 10.900134 4.774884 6.111891 25 C 10.564845 11.253841 11.075026 5.041056 6.406044 26 C 9.685890 10.502089 10.084552 4.277733 5.595479 27 C 8.320903 9.141503 8.765862 2.923824 4.227876 28 H 8.889788 9.254184 9.745101 3.886750 5.012214 29 H 11.080775 11.538749 11.798345 5.696549 7.002069 30 H 11.611570 12.309667 12.086089 6.092160 7.456512 31 H 10.159113 11.067713 10.433907 4.948368 6.190596 32 H 7.743858 8.692521 8.073144 2.712509 3.834831 6 7 8 9 10 6 N 0.000000 7 C 1.365041 0.000000 8 O 2.261190 1.196524 0.000000 9 N 2.369042 1.405886 2.241131 0.000000 10 C 2.729724 2.395282 3.464353 1.347505 0.000000 11 C 2.380683 2.759477 3.954160 2.339290 1.341361 12 H 3.872519 2.553495 2.376273 2.052532 3.199076 13 H 4.066149 2.898960 2.596429 2.721113 3.830656 14 H 5.368875 4.094118 3.877620 3.401893 4.322160 15 H 3.163690 4.316831 5.393980 4.549267 3.811446 16 C 2.921808 4.286556 5.049652 5.092523 4.867013 17 H 3.796892 3.341201 4.298918 2.061297 1.068382 18 Br 4.131845 4.651104 5.845145 4.083555 2.811450 19 H 4.595506 3.587804 3.821909 2.734326 3.296255 20 H 5.479459 4.319063 4.521545 3.139023 3.562410 21 O 2.847676 4.130518 4.645356 5.188317 5.261239 22 C 4.374917 5.735616 6.529906 6.437551 6.026990 23 C 5.360365 6.717977 7.401372 7.526436 7.201169 24 C 6.674483 8.038110 8.751342 8.786369 8.359034 25 C 7.133529 8.485740 9.294620 9.096713 8.518940 26 C 6.432657 7.738602 8.621676 8.229333 7.566208 27 C 5.054216 6.354634 7.247154 6.864031 6.257551 28 H 5.273184 6.584052 7.148574 7.503245 7.331446 29 H 7.485163 8.838068 9.487516 9.642456 9.268516 30 H 8.205090 9.554776 10.367144 10.142929 9.525532 31 H 7.099682 8.350373 9.273506 8.728413 7.971741 32 H 4.743116 5.945834 6.891776 6.320045 5.639529 11 12 13 14 15 11 C 0.000000 12 H 4.311203 0.000000 13 H 4.774992 2.483787 0.000000 14 H 5.538973 2.489099 1.755613 0.000000 15 H 2.481047 6.471244 6.703446 7.788127 0.000000 16 C 3.751506 6.764699 6.796672 8.183560 2.028049 17 H 2.116054 3.470814 4.202755 4.281246 4.551082 18 Br 1.892125 5.965442 6.455186 7.013302 2.529670 19 H 4.379094 3.044911 1.770672 1.761069 6.552354 20 H 4.894701 2.316414 3.578377 2.469383 7.356141 21 O 4.349834 6.656854 6.497351 8.020831 3.103015 22 C 4.780804 8.158005 8.262999 9.608807 2.485508 23 C 5.984289 9.223069 9.076722 10.538019 3.713310 24 C 7.087014 10.513727 10.427426 11.858055 4.676375 25 C 7.201684 10.848874 11.010868 12.319808 4.737794 26 C 6.252035 9.966552 10.362060 11.547663 3.866743 27 C 4.960494 8.592269 8.997726 10.183190 2.612104 28 H 6.209643 9.132049 8.754142 10.310488 4.173123 29 H 8.017874 11.352253 11.117223 12.610395 5.642290 30 H 8.199145 11.901245 12.078231 13.376371 5.734160 31 H 6.676002 10.439052 11.011418 12.091518 4.427349 32 H 4.379588 8.000127 8.650935 9.701277 2.320344 16 17 18 19 20 16 C 0.000000 17 H 5.827874 0.000000 18 Br 4.463984 2.949706 0.000000 19 H 7.141911 3.267574 5.704855 0.000000 20 H 8.184392 3.098848 6.029681 2.925406 0.000000 21 O 1.184863 6.292537 5.387788 7.112101 8.318886 22 C 1.503411 6.896210 4.974358 8.494810 9.459013 23 C 2.467589 8.092434 6.186320 9.395839 10.611158 24 C 3.754335 9.193132 7.013545 10.673965 11.827308 25 C 4.280170 9.266216 6.839655 11.126609 12.014138 26 C 3.810884 8.257559 5.785938 10.392956 11.021664 27 C 2.551314 7.004727 4.739437 9.069139 9.700776 28 H 2.622145 8.271921 6.648274 9.198321 10.631589 29 H 4.599741 10.118503 7.980912 11.415901 12.717951 30 H 5.355805 10.238012 7.709389 12.162359 13.027225 31 H 4.682090 8.571916 5.990640 10.951516 11.362895 32 H 2.792478 6.322161 4.086198 8.648547 8.999614 21 22 23 24 25 21 O 0.000000 22 C 2.354805 0.000000 23 C 2.832374 1.389783 0.000000 24 C 4.197185 2.405273 1.383233 0.000000 25 C 4.976948 2.778430 2.398724 1.386205 0.000000 26 C 4.722426 2.406942 2.770929 2.400349 1.385679 27 C 3.565827 1.391349 2.401192 2.771258 2.399409 28 H 2.554263 2.127693 1.073605 2.141371 3.376680 29 H 4.860941 3.377505 2.132299 1.075438 2.139739 30 H 6.030430 3.854213 3.374036 2.139098 1.075786 31 H 5.651362 3.379907 3.846038 3.375566 2.138404 32 H 3.873248 2.150151 3.381176 3.845148 3.365962 26 27 28 29 30 26 C 0.000000 27 C 1.384701 0.000000 28 H 3.844354 3.368633 0.000000 29 H 3.376218 3.846690 2.466360 0.000000 30 H 2.136102 3.373312 4.268159 2.467292 0.000000 31 H 1.075372 2.134438 4.919321 4.266159 2.461664 32 H 2.124674 1.075698 4.263036 4.920417 4.250445 31 32 31 H 0.000000 32 H 2.440196 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.522507 -0.653084 -0.285236 2 6 0 -5.103956 -1.206142 1.003937 3 8 0 -5.040586 0.612438 -0.577625 4 7 0 0.990251 -0.267295 0.039957 5 6 0 -0.372237 -0.386369 -0.044778 6 7 0 -0.930154 -1.526057 -0.224552 7 6 0 -2.284736 -1.656943 -0.330916 8 8 0 -2.839599 -2.698356 -0.529050 9 7 0 -3.062646 -0.494858 -0.186241 10 6 0 -2.482210 0.710862 -0.027801 11 6 0 -1.148221 0.828856 0.048359 12 1 0 -4.696267 -1.331661 -1.104899 13 1 0 -4.671113 -2.168693 1.233465 14 1 0 -6.177291 -1.332343 0.895646 15 1 0 1.321625 0.654061 0.206163 16 6 0 1.964616 -1.264800 0.073797 17 1 0 -3.136124 1.553815 0.029353 18 35 0 -0.364784 2.539029 0.252492 19 1 0 -4.919909 -0.516760 1.820405 20 1 0 -5.979188 0.551556 -0.688506 21 8 0 1.739178 -2.420732 0.203795 22 6 0 3.368427 -0.736430 -0.028114 23 6 0 4.357377 -1.437457 0.651617 24 6 0 5.672847 -1.012553 0.603347 25 6 0 6.014261 0.103637 -0.144397 26 6 0 5.038725 0.789042 -0.850552 27 6 0 3.719398 0.372814 -0.791167 28 1 0 4.081893 -2.308589 1.215414 29 1 0 6.428712 -1.553387 1.144394 30 1 0 7.037877 0.431662 -0.188282 31 1 0 5.305702 1.636692 -1.456059 32 1 0 2.986728 0.879680 -1.393999 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5063074 0.1428988 0.1150544 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.8238188073 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= 339 RedAO= T EigKep= 4.37D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999987 0.004822 -0.000077 0.001875 Ang= 0.59 deg. 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) = -3457.12204619 A.U. after 16 cycles NFock= 16 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 -0.000255415 -0.000608389 0.001252606 2 6 0.000325596 -0.000415021 0.000035668 3 8 -0.001321264 0.003058770 0.000124139 4 7 -0.000239798 -0.000522653 0.000948767 5 6 0.000272260 -0.000466989 -0.000190036 6 7 -0.000154897 0.000249124 -0.001155936 7 6 -0.000436624 0.000683610 0.000886627 8 8 0.000636486 0.000005620 -0.000141017 9 7 -0.002225345 -0.001634868 -0.001593734 10 6 0.001999420 -0.000419426 0.000208565 11 6 0.000151853 -0.000422955 0.000319302 12 1 0.000559777 0.000464387 -0.000319261 13 1 0.000275529 0.000258821 -0.000104440 14 1 0.000402800 -0.000285757 -0.000013573 15 1 -0.002236034 0.000957646 -0.000934942 16 6 -0.000301946 0.000918853 -0.001582228 17 1 -0.000124565 -0.000568009 0.000026391 18 35 -0.000411113 -0.000062043 0.000745637 19 1 -0.000056269 0.000120371 0.000194201 20 1 0.000473607 0.000067961 -0.000264615 21 8 0.000860823 -0.000442609 0.000204507 22 6 0.000048759 0.000331936 0.000071348 23 6 0.000303457 0.000477300 0.001217649 24 6 0.000913038 0.000200176 0.000092467 25 6 -0.000945451 -0.000360660 -0.000019025 26 6 0.000094212 0.001315368 -0.000116632 27 6 0.000207714 -0.001276045 -0.002441509 28 1 -0.000209627 0.000238753 -0.000032209 29 1 -0.000371494 -0.000253979 -0.000120940 30 1 0.000394413 -0.000238136 0.000002690 31 1 0.000390598 -0.000161822 0.000071267 32 1 0.000979501 -0.001209334 0.002628266 ------------------------------------------------------------------- Cartesian Forces: Max 0.003058770 RMS 0.000853021 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003806714 RMS 0.000879583 Search for a local minimum. Step number 22 out of a maximum of 170 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 DE= -3.83D-04 DEPred=-1.54D-03 R= 2.48D-01 Trust test= 2.48D-01 RLast= 8.69D-01 DXMaxT set to 3.51D-01 ITU= 0 0 0 0 0 0 -1 0 1 1 1 1 1 1 1 1 -1 1 1 0 ITU= 1 0 Eigenvalues --- 0.00005 0.00283 0.00433 0.01253 0.01334 Eigenvalues --- 0.01451 0.01542 0.01644 0.01708 0.01791 Eigenvalues --- 0.01859 0.01880 0.02025 0.02103 0.02110 Eigenvalues --- 0.02121 0.02126 0.02135 0.02235 0.02518 Eigenvalues --- 0.02543 0.02600 0.02622 0.04466 0.05528 Eigenvalues --- 0.05686 0.05984 0.06252 0.07017 0.08703 Eigenvalues --- 0.13125 0.15551 0.15648 0.15827 0.15933 Eigenvalues --- 0.15996 0.16000 0.16010 0.16044 0.16162 Eigenvalues --- 0.16350 0.17678 0.19699 0.21488 0.21754 Eigenvalues --- 0.22010 0.22460 0.23263 0.23507 0.24239 Eigenvalues --- 0.24286 0.24865 0.25087 0.25355 0.26347 Eigenvalues --- 0.27509 0.29330 0.31153 0.32028 0.33421 Eigenvalues --- 0.33744 0.33789 0.34131 0.34463 0.35092 Eigenvalues --- 0.35382 0.38288 0.38344 0.38415 0.38435 Eigenvalues --- 0.38528 0.38763 0.39448 0.40714 0.41038 Eigenvalues --- 0.43007 0.44065 0.45230 0.48290 0.48819 Eigenvalues --- 0.50693 0.51285 0.55146 0.55976 0.56105 Eigenvalues --- 0.57948 0.64688 0.73051 0.88123 0.89259 Eigenvalue 1 is 4.91D-05 Eigenvector: D18 D16 D14 D17 D15 1 0.44633 0.44066 0.39952 0.33605 0.33038 D13 D38 D36 D33 D34 1 0.28924 -0.16601 -0.12961 0.12917 0.09068 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 22 21 RFO step: Lambda=-2.14309022D-03. DidBck=T Rises=F RFO-DIIS coefs: 0.55845 0.44155 Iteration 1 RMS(Cart)= 0.19689779 RMS(Int)= 0.02033931 Iteration 2 RMS(Cart)= 0.04954575 RMS(Int)= 0.00099405 Iteration 3 RMS(Cart)= 0.00160314 RMS(Int)= 0.00029950 Iteration 4 RMS(Cart)= 0.00000178 RMS(Int)= 0.00029950 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00029950 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86960 0.00092 0.00066 0.00553 0.00619 2.87579 R2 2.64254 -0.00142 -0.00045 -0.00558 -0.00603 2.63651 R3 2.78119 -0.00246 -0.00239 -0.00730 -0.00969 2.77150 R4 2.03750 0.00033 0.00092 -0.00708 -0.00616 2.03133 R5 2.04103 0.00039 0.00006 0.00683 0.00689 2.04792 R6 2.05251 0.00040 0.00043 -0.00044 -0.00001 2.05250 R7 2.04906 0.00021 0.00050 -0.00060 -0.00010 2.04896 R8 1.78974 0.00012 0.00076 -0.00417 -0.00340 1.78633 R9 2.58950 0.00001 0.00121 -0.00774 -0.00653 2.58297 R10 1.87676 0.00106 -0.00212 0.00172 -0.00041 1.87636 R11 2.63584 0.00044 -0.00345 0.01728 0.01382 2.64967 R12 2.42186 0.00022 -0.00024 0.00130 0.00107 2.42293 R13 2.73038 0.00084 0.00109 0.00327 0.00448 2.73486 R14 2.57955 -0.00069 0.00011 -0.00447 -0.00449 2.57506 R15 2.26110 0.00055 0.00093 -0.00502 -0.00409 2.25702 R16 2.65674 -0.00012 -0.00053 0.00247 0.00182 2.65856 R17 2.54642 -0.00123 -0.00054 -0.00291 -0.00346 2.54296 R18 2.53480 0.00005 -0.00004 -0.00170 -0.00163 2.53318 R19 2.01895 0.00051 0.00031 0.00220 0.00251 2.02146 R20 3.57560 0.00077 0.00493 -0.01709 -0.01216 3.56344 R21 2.23907 0.00061 0.00149 -0.00564 -0.00415 2.23491 R22 2.84104 -0.00156 0.00381 -0.00782 -0.00400 2.83703 R23 2.62631 0.00060 0.00048 0.01191 0.01238 2.63869 R24 2.62927 -0.00151 0.00191 -0.01460 -0.01270 2.61657 R25 2.61393 -0.00029 0.00089 -0.01463 -0.01375 2.60019 R26 2.02882 -0.00019 -0.00099 -0.00011 -0.00110 2.02772 R27 2.61955 0.00049 -0.00168 0.01535 0.01367 2.63322 R28 2.03228 -0.00041 -0.00037 -0.00087 -0.00124 2.03104 R29 2.61855 -0.00034 0.00062 -0.01490 -0.01428 2.60428 R30 2.03294 -0.00041 -0.00037 -0.00069 -0.00105 2.03189 R31 2.61671 0.00042 -0.00145 0.01561 0.01416 2.63086 R32 2.03216 -0.00038 -0.00042 -0.00012 -0.00054 2.03162 R33 2.03277 0.00002 -0.00086 -0.00035 -0.00121 2.03157 A1 1.94471 0.00148 0.00045 0.02482 0.02525 1.96996 A2 1.94106 0.00153 0.00318 -0.00847 -0.00560 1.93546 A3 1.93314 -0.00083 0.00011 -0.01709 -0.01722 1.91593 A4 1.85904 -0.00294 -0.00662 0.01509 0.00840 1.86743 A5 1.92934 0.00051 0.00159 0.00487 0.00661 1.93595 A6 1.85319 0.00013 0.00111 -0.02016 -0.01928 1.83391 A7 1.93002 -0.00005 -0.00042 -0.01517 -0.01553 1.91449 A8 1.91353 0.00043 -0.00045 0.02475 0.02418 1.93772 A9 1.92059 -0.00013 -0.00022 0.01131 0.01091 1.93151 A10 1.88985 -0.00018 0.00018 -0.00524 -0.00495 1.88491 A11 1.91618 -0.00000 0.00069 -0.01394 -0.01324 1.90294 A12 1.89302 -0.00006 0.00023 -0.00163 -0.00174 1.89129 A13 1.91078 -0.00095 -0.00133 0.00066 -0.00066 1.91011 A14 2.00724 0.00196 -0.00500 0.02020 0.01549 2.02274 A15 2.25742 -0.00187 0.00034 -0.01223 -0.01162 2.24580 A16 2.01121 -0.00003 0.00756 -0.00793 -0.00011 2.01110 A17 2.11624 -0.00196 0.00257 -0.01512 -0.01236 2.10387 A18 2.04534 0.00156 -0.00208 0.00972 0.00784 2.05318 A19 2.12138 0.00040 -0.00042 0.00579 0.00475 2.12613 A20 2.12727 -0.00026 0.00014 -0.00092 -0.00194 2.12533 A21 2.16100 0.00001 -0.00115 0.00742 0.00665 2.16765 A22 2.05083 -0.00023 0.00025 -0.00103 -0.00174 2.04909 A23 2.07131 0.00022 0.00092 -0.00662 -0.00531 2.06600 A24 2.04100 0.00135 0.00198 0.01242 0.01334 2.05434 A25 2.13102 -0.00212 -0.00225 -0.01320 -0.01644 2.11458 A26 2.10990 0.00079 0.00082 0.00464 0.00326 2.11316 A27 2.11037 0.00008 -0.00036 0.00292 0.00199 2.11236 A28 2.03602 -0.00029 -0.00128 0.00850 0.00748 2.04351 A29 2.13679 0.00021 0.00163 -0.01145 -0.00956 2.12722 A30 2.04482 -0.00075 0.00035 -0.00608 -0.00615 2.03867 A31 2.14691 0.00079 0.00104 -0.00413 -0.00290 2.14402 A32 2.09141 -0.00004 -0.00140 0.01013 0.00892 2.10032 A33 2.17418 0.00087 -0.00487 0.00198 -0.00286 2.17132 A34 1.98155 -0.00301 0.01011 -0.01899 -0.00885 1.97269 A35 2.12700 0.00214 -0.00505 0.01663 0.01161 2.13861 A36 2.04206 0.00272 -0.00792 0.01503 0.00715 2.04921 A37 2.15664 -0.00381 0.01221 -0.02284 -0.01060 2.14604 A38 2.08389 0.00110 -0.00405 0.00775 0.00372 2.08760 A39 2.09984 -0.00066 0.00293 -0.00683 -0.00391 2.09594 A40 2.07549 0.00057 -0.00170 -0.00197 -0.00366 2.07182 A41 2.10785 0.00009 -0.00123 0.00881 0.00758 2.11542 A42 2.09486 -0.00017 -0.00024 0.00188 0.00165 2.09650 A43 2.09021 0.00029 -0.00043 0.00779 0.00735 2.09757 A44 2.09811 -0.00012 0.00067 -0.00967 -0.00900 2.08910 A45 2.09415 0.00023 -0.00128 0.00304 0.00178 2.09592 A46 2.09656 -0.00031 0.00092 -0.00781 -0.00690 2.08966 A47 2.09239 0.00009 0.00040 0.00479 0.00518 2.09757 A48 2.09467 0.00003 0.00129 -0.00353 -0.00224 2.09243 A49 2.09677 0.00016 -0.00027 0.00849 0.00821 2.10498 A50 2.09166 -0.00019 -0.00098 -0.00491 -0.00590 2.08576 A51 2.09845 -0.00052 0.00156 -0.00219 -0.00065 2.09780 A52 2.10737 -0.00081 0.01007 -0.00897 0.00108 2.10845 A53 2.07520 0.00140 -0.01078 0.01189 0.00110 2.07630 D1 -3.10941 0.00100 0.00347 0.00040 0.00379 -3.10562 D2 1.09119 0.00098 0.00378 0.00065 0.00450 1.09570 D3 -0.98949 0.00087 0.00391 -0.01956 -0.01579 -1.00527 D4 -1.03811 -0.00072 -0.00248 0.03012 0.02757 -1.01054 D5 -3.12069 -0.00074 -0.00217 0.03038 0.02829 -3.09241 D6 1.08181 -0.00085 -0.00204 0.01017 0.00800 1.08981 D7 1.01837 -0.00011 0.00101 -0.01129 -0.01021 1.00816 D8 -1.06421 -0.00013 0.00132 -0.01103 -0.00950 -1.07370 D9 3.13830 -0.00024 0.00145 -0.03124 -0.02978 3.10851 D10 -1.06489 0.00015 -0.00208 -0.00085 -0.00289 -1.06778 D11 3.09856 -0.00070 -0.00200 -0.01474 -0.01688 3.08167 D12 1.09267 0.00050 -0.00045 -0.00171 -0.00207 1.09061 D13 1.36999 -0.00017 -0.00359 0.18400 0.18059 1.55058 D14 -1.82515 0.00019 0.01806 0.26600 0.28402 -1.54113 D15 -2.79114 0.00066 -0.00541 0.21901 0.21371 -2.57743 D16 0.29690 0.00102 0.01624 0.30101 0.31714 0.61404 D17 -0.73430 -0.00011 -0.00625 0.22208 0.21587 -0.51843 D18 2.35374 0.00025 0.01540 0.30407 0.31929 2.67304 D19 -3.11197 -0.00088 -0.00953 -0.01752 -0.02731 -3.13928 D20 0.05214 -0.00101 -0.01377 -0.03666 -0.05059 0.00154 D21 -0.10779 -0.00027 0.03164 -0.01737 0.01443 -0.09336 D22 3.05632 -0.00040 0.02740 -0.03651 -0.00886 3.04746 D23 -0.17695 0.00013 0.05650 -0.04563 0.01109 -0.16586 D24 2.99684 0.00002 0.04638 -0.03247 0.01412 3.01096 D25 2.82698 0.00087 0.09748 -0.04366 0.05362 2.88060 D26 -0.28242 0.00076 0.08737 -0.03049 0.05665 -0.22577 D27 -3.12412 -0.00009 -0.00575 -0.01166 -0.01734 -3.14146 D28 -0.00603 0.00006 -0.00133 0.00835 0.00696 0.00093 D29 -3.13580 -0.00011 -0.00735 -0.03098 -0.03829 3.10909 D30 0.01596 -0.00022 -0.00648 -0.02216 -0.02853 -0.01257 D31 0.02838 -0.00020 -0.01163 -0.04990 -0.06166 -0.03328 D32 -3.10304 -0.00032 -0.01076 -0.04107 -0.05189 3.12825 D33 3.11084 0.00020 0.01510 0.09222 0.10767 -3.06468 D34 -0.04037 0.00028 0.02154 0.06315 0.08476 0.04440 D35 -3.12772 -0.00018 -0.00851 -0.01600 -0.02374 3.13173 D36 0.06674 -0.00044 -0.02987 -0.09636 -0.12644 -0.05970 D37 0.00477 -0.00010 -0.00242 -0.04346 -0.04521 -0.04044 D38 -3.08396 -0.00036 -0.02378 -0.12381 -0.14790 3.05132 D39 -3.13164 -0.00008 -0.00490 -0.02899 -0.03325 3.11829 D40 0.00653 -0.00015 -0.00705 -0.03794 -0.04452 -0.03799 D41 -0.04568 0.00031 0.01759 0.05639 0.07393 0.02825 D42 3.09249 0.00023 0.01544 0.04744 0.06267 -3.12802 D43 -0.00148 0.00001 0.00301 0.01574 0.01891 0.01743 D44 3.13028 0.00012 0.00219 0.00713 0.00933 3.13961 D45 -3.13945 0.00009 0.00531 0.02518 0.03068 -3.10877 D46 -0.00769 0.00021 0.00449 0.01657 0.02111 0.01341 D47 2.57308 0.00090 0.16902 0.03782 0.20688 2.77997 D48 -0.60575 0.00130 0.18045 0.03609 0.21647 -0.38928 D49 -0.53729 0.00082 0.15921 0.05086 0.21014 -0.32715 D50 2.56705 0.00122 0.17064 0.04913 0.21973 2.78678 D51 3.14028 -0.00019 0.00078 -0.00613 -0.00522 3.13506 D52 -0.00552 0.00011 0.00196 -0.00284 -0.00076 -0.00627 D53 0.03431 -0.00046 -0.01027 -0.00378 -0.01415 0.02016 D54 -3.11149 -0.00016 -0.00909 -0.00049 -0.00968 -3.12117 D55 -3.12564 -0.00003 -0.00521 0.00533 0.00034 -3.12530 D56 -0.05559 0.00122 0.01534 0.01786 0.03311 -0.02248 D57 -0.02214 0.00041 0.00647 0.00369 0.01019 -0.01195 D58 3.04791 0.00166 0.02701 0.01622 0.04296 3.09087 D59 -0.01982 0.00020 0.00603 0.00106 0.00714 -0.01268 D60 3.12600 0.00022 0.00474 0.00260 0.00734 3.13335 D61 3.12606 -0.00011 0.00483 -0.00227 0.00259 3.12864 D62 -0.01130 -0.00009 0.00353 -0.00073 0.00280 -0.00851 D63 -0.00710 0.00015 0.00205 0.00197 0.00399 -0.00310 D64 -3.13454 -0.00013 -0.00223 0.00026 -0.00201 -3.13655 D65 3.13025 0.00013 0.00335 0.00047 0.00383 3.13407 D66 0.00280 -0.00015 -0.00093 -0.00125 -0.00218 0.00062 D67 0.01921 -0.00019 -0.00585 -0.00199 -0.00790 0.01131 D68 -3.10802 -0.00054 -0.01008 -0.00572 -0.01590 -3.12392 D69 -3.13649 0.00009 -0.00157 -0.00038 -0.00197 -3.13846 D70 0.01946 -0.00026 -0.00581 -0.00412 -0.00997 0.00949 D71 -0.00449 -0.00009 0.00157 -0.00088 0.00077 -0.00373 D72 -3.07585 -0.00123 -0.01889 -0.01235 -0.03140 -3.10725 D73 3.12278 0.00026 0.00579 0.00295 0.00880 3.13158 D74 0.05142 -0.00088 -0.01466 -0.00852 -0.02337 0.02805 Item Value Threshold Converged? Maximum Force 0.003807 0.000450 NO RMS Force 0.000880 0.000300 NO Maximum Displacement 0.937837 0.001800 NO RMS Displacement 0.234713 0.001200 NO Predicted change in Energy=-1.784831D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.557347 -6.532383 1.272779 2 6 0 7.663910 -6.865637 2.262905 3 8 0 5.472027 -7.404870 1.358673 4 7 0 4.731601 -1.378229 2.044935 5 6 0 5.207362 -2.645343 1.854284 6 7 0 6.176405 -2.862328 1.043235 7 6 0 6.670150 -4.115046 0.834034 8 8 0 7.617576 -4.357315 0.148329 9 7 0 6.039307 -5.179771 1.503077 10 6 0 5.033683 -4.957476 2.369187 11 6 0 4.579903 -3.716956 2.597520 12 1 0 6.956111 -6.512868 0.274735 13 1 0 8.461919 -6.137415 2.177424 14 1 0 8.082857 -7.847591 2.063059 15 1 0 3.981611 -1.289055 2.689500 16 6 0 5.225904 -0.170351 1.532389 17 1 0 4.608558 -5.812305 2.851695 18 35 0 3.167454 -3.428072 3.812988 19 1 0 7.284233 -6.856495 3.278476 20 1 0 5.758834 -8.284046 1.162825 21 8 0 6.256831 -0.057693 0.963889 22 6 0 4.329797 0.999616 1.818829 23 6 0 4.898410 2.273704 1.762894 24 6 0 4.125610 3.385375 2.008318 25 6 0 2.770030 3.244456 2.298524 26 6 0 2.198382 1.991075 2.336996 27 6 0 2.980511 0.864277 2.098674 28 1 0 5.941196 2.362780 1.526157 29 1 0 4.563431 4.366306 1.973119 30 1 0 2.171013 4.117742 2.484709 31 1 0 1.149969 1.873749 2.544070 32 1 0 2.513069 -0.103836 2.100773 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.521805 0.000000 3 O 1.395182 2.431617 0.000000 4 N 5.522217 6.225560 6.110613 0.000000 5 C 4.155682 4.900253 4.792575 1.366849 0.000000 6 N 3.696905 4.441480 4.607639 2.300742 1.282158 7 C 2.459418 3.254993 3.540295 3.565729 2.310993 8 O 2.668219 3.281045 3.918661 4.560803 3.413248 9 N 1.466615 2.461466 2.300809 4.056530 2.690503 10 C 2.450306 3.251226 2.683845 3.606578 2.375131 11 C 3.686713 4.420098 3.991408 2.407905 1.447225 12 H 1.074935 2.139683 2.042816 5.869120 4.528890 13 H 2.145175 1.083712 3.349066 6.048361 4.784467 14 H 2.163677 1.086135 2.740181 7.285870 5.947726 15 H 6.011157 6.696237 6.433944 0.992925 2.009868 16 C 6.505044 7.162708 7.240789 1.402144 2.495906 17 H 2.609457 3.285021 2.347542 4.508551 3.373877 18 Br 5.251741 5.868366 5.210531 3.126408 2.934350 19 H 2.157831 1.084262 2.696377 6.168383 4.906681 20 H 1.928221 2.617514 0.945286 7.037304 5.707645 21 O 6.489017 7.072158 7.399513 2.288843 2.930891 22 C 7.873447 8.554281 8.494223 2.422131 3.749281 23 C 8.974378 9.561671 9.703980 3.666604 4.929587 24 C 10.237982 10.847471 10.893313 4.802133 6.128904 25 C 10.534823 11.232333 11.026887 5.028049 6.389653 26 C 9.632366 10.407634 9.997883 4.225483 5.548274 27 C 8.257508 9.039511 8.667990 2.845705 4.163655 28 H 8.920077 9.416699 9.780346 3.965778 5.072226 29 H 11.101694 11.655621 11.822169 5.747445 7.042158 30 H 11.581617 12.282334 12.038905 6.079120 7.440172 31 H 10.075663 10.903548 10.304277 4.863392 6.112318 32 H 7.639894 8.501730 7.912727 2.559117 3.712039 6 7 8 9 10 6 N 0.000000 7 C 1.362663 0.000000 8 O 2.261154 1.194362 0.000000 9 N 2.366599 1.406848 2.236673 0.000000 10 C 2.730129 2.396749 3.459611 1.345676 0.000000 11 C 2.386422 2.763601 3.954245 2.338268 1.340500 12 H 3.811164 2.478737 2.258301 2.031379 3.240633 13 H 4.151644 3.017467 2.828232 2.690886 3.630679 14 H 5.433916 4.175900 4.008080 3.406896 4.212356 15 H 3.162673 4.319401 5.393701 4.558442 3.829722 16 C 2.896458 4.258424 5.016611 5.075114 4.863512 17 H 3.798820 3.346909 4.298764 2.065409 1.069709 18 Br 4.128605 4.649191 5.839247 4.080647 2.811840 19 H 4.709241 3.723968 4.019308 2.741037 3.081891 20 H 5.439089 4.280089 4.461316 3.135436 3.612094 21 O 2.806910 4.080418 4.582959 5.154971 5.242025 22 C 4.350417 5.710241 6.503597 6.419265 6.023728 23 C 5.341349 6.694623 7.346502 7.544763 7.257813 24 C 6.646122 8.006869 8.694977 8.790861 8.399880 25 C 7.104361 8.456828 9.268708 9.071301 8.508866 26 C 6.407341 7.716238 8.629020 8.177357 7.504821 27 C 5.021481 6.325062 7.250602 6.800109 6.179118 28 H 5.252646 6.555352 7.061752 7.543225 7.424313 29 H 7.464552 8.813009 9.421212 9.670923 9.344031 30 H 8.175720 9.526057 10.341678 10.117858 9.516712 31 H 7.067389 8.322397 9.294927 8.645314 7.859991 32 H 4.706134 5.914031 6.925324 6.209406 5.475707 11 12 13 14 15 11 C 0.000000 12 H 4.342674 0.000000 13 H 4.594034 2.455330 0.000000 14 H 5.442287 2.499829 1.755412 0.000000 15 H 2.502223 6.478192 6.621327 7.760609 0.000000 16 C 3.759020 6.693492 6.818630 8.208765 2.034372 17 H 2.110903 3.555631 3.925395 4.103059 4.569372 18 Br 1.885690 6.032339 6.168222 6.837806 2.549603 19 H 4.199263 3.041086 1.765315 1.759919 6.500046 20 H 4.930166 2.315005 3.597791 2.530217 7.376935 21 O 4.344082 6.529411 6.580129 8.076204 3.109761 22 C 4.786958 8.106736 8.254710 9.613438 2.473321 23 C 6.056902 9.146179 9.144252 10.614680 3.793728 24 C 7.141193 10.439935 10.464974 11.909758 4.725996 25 C 7.199048 10.808532 10.974140 12.301019 4.708875 26 C 6.190407 9.960219 10.263026 11.467408 3.750122 27 C 4.877971 8.576387 8.892453 10.096131 2.447062 28 H 6.321719 9.020711 8.889966 10.446371 4.304560 29 H 8.107360 11.267913 11.205717 12.711166 5.730168 30 H 8.197437 11.865539 12.034872 13.352786 5.705581 31 H 6.559214 10.449714 10.852547 11.949928 4.247667 32 H 4.192040 8.009415 8.473415 9.538853 1.976856 16 17 18 19 20 16 C 0.000000 17 H 5.826949 0.000000 18 Br 4.477845 2.947105 0.000000 19 H 7.210414 2.903741 5.384018 0.000000 20 H 8.139573 3.207011 6.108936 2.973336 0.000000 21 O 1.182664 6.276637 5.387121 7.255107 8.243814 22 C 1.501292 6.895418 4.993209 8.519257 9.415884 23 C 2.476649 8.164132 6.301535 9.557702 10.609736 24 C 3.752378 9.248883 7.113224 10.792872 11.813453 25 C 4.275416 9.258029 6.853771 11.107094 11.963658 26 C 3.805922 8.183313 5.699545 10.248500 10.937715 27 C 2.536320 6.913344 4.625806 8.917638 9.606597 28 H 2.632192 8.388384 6.815952 9.479947 10.654584 29 H 4.605906 10.216558 8.129342 11.621445 12.732517 30 H 5.350421 10.231429 7.726353 12.132970 12.977834 31 H 4.670662 8.433973 5.812892 10.695125 11.239674 32 H 2.772536 6.127118 3.796110 8.351610 8.850456 21 22 23 24 25 21 O 0.000000 22 C 2.358450 0.000000 23 C 2.814095 1.396334 0.000000 24 C 4.181824 2.401966 1.375959 0.000000 25 C 4.984297 2.775299 2.399845 1.393440 0.000000 26 C 4.749093 2.407160 2.774819 2.401314 1.378123 27 C 3.587762 1.384630 2.403657 2.770442 2.397810 28 H 2.504887 2.130840 1.073024 2.138815 3.380857 29 H 4.843338 3.378312 2.129646 1.074780 2.140263 30 H 6.036643 3.850513 3.370488 2.140972 1.075228 31 H 5.683967 3.376594 3.849806 3.380308 2.136288 32 H 3.912849 2.144202 3.384776 3.844923 3.363955 26 27 28 29 30 26 C 0.000000 27 C 1.392192 0.000000 28 H 3.847633 3.367334 0.000000 29 H 3.371585 3.845206 2.472272 0.000000 30 H 2.131966 3.374810 4.267668 2.459100 0.000000 31 H 1.075088 2.137357 4.922514 4.265037 2.466081 32 H 2.131545 1.075058 4.262210 4.919599 4.252779 31 32 31 H 0.000000 32 H 2.442416 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.496023 -0.717069 -0.298059 2 6 0 -5.107971 -0.885523 1.085066 3 8 0 -4.993923 0.393814 -0.979649 4 7 0 0.996379 -0.253391 0.038683 5 6 0 -0.362087 -0.388357 -0.029339 6 7 0 -0.896071 -1.546714 -0.159712 7 6 0 -2.247053 -1.710183 -0.230255 8 8 0 -2.793371 -2.771301 -0.275715 9 7 0 -3.041702 -0.549437 -0.209691 10 6 0 -2.489293 0.667853 -0.055118 11 6 0 -1.161254 0.815464 0.051950 12 1 0 -4.639628 -1.615113 -0.871103 13 1 0 -4.660258 -1.738758 1.581025 14 1 0 -6.178113 -1.059132 1.019159 15 1 0 1.335371 0.674189 0.141545 16 6 0 1.975188 -1.256184 0.087136 17 1 0 -3.154220 1.505580 -0.036025 18 35 0 -0.407632 2.530860 0.264783 19 1 0 -4.942149 0.000655 1.687408 20 1 0 -5.925979 0.295599 -1.102899 21 8 0 1.746280 -2.406844 0.236395 22 6 0 3.372613 -0.718621 -0.022888 23 6 0 4.410785 -1.526155 0.445979 24 6 0 5.713620 -1.091044 0.364962 25 6 0 6.002585 0.150036 -0.198860 26 6 0 4.984326 0.944017 -0.680487 27 6 0 3.664553 0.510053 -0.590631 28 1 0 4.169541 -2.483645 0.865972 29 1 0 6.513231 -1.708158 0.732312 30 1 0 7.023324 0.481799 -0.263211 31 1 0 5.199157 1.895853 -1.131785 32 1 0 2.884762 1.126738 -0.999746 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5066388 0.1437972 0.1153817 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1895.7686896849 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= 339 RedAO= T EigKep= 4.30D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999971 0.006874 -0.000034 -0.003359 Ang= 0.88 deg. 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) = -3457.12159549 A.U. after 15 cycles NFock= 15 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 0.004748382 0.001881856 -0.001713087 2 6 0.000394142 0.001160788 0.000965629 3 8 -0.002563093 0.004290081 0.003772085 4 7 0.000678800 0.004015785 -0.001713784 5 6 0.003437038 -0.000224213 0.002006994 6 7 -0.002013003 -0.001103142 -0.002049927 7 6 0.000967158 -0.001604249 0.006042355 8 8 0.002609808 0.001319896 -0.004704034 9 7 -0.002933807 -0.003132143 -0.000025497 10 6 -0.001427479 -0.000109361 0.000050087 11 6 0.001673832 0.001282785 -0.003072070 12 1 0.000018658 -0.000903405 -0.001691264 13 1 -0.000636810 -0.000780001 -0.000296637 14 1 -0.000993605 -0.000273597 -0.000853196 15 1 0.001254832 -0.001783804 0.000072539 16 6 -0.003934855 -0.003902301 0.004921489 17 1 0.000772144 -0.001406898 -0.000455158 18 35 -0.002423982 0.000230956 0.001783475 19 1 -0.000611778 -0.000348651 0.000654635 20 1 0.000891333 -0.002143742 -0.000464005 21 8 0.002378811 0.001449484 -0.002080647 22 6 0.002594007 0.001535715 -0.001559745 23 6 0.000645879 -0.004910259 -0.000032405 24 6 -0.004478123 0.002659639 0.001132668 25 6 0.003821032 0.003032777 -0.000696643 26 6 0.000402526 -0.006292309 -0.000409718 27 6 -0.004343111 0.004084959 0.000420358 28 1 -0.000016337 0.000312198 0.000025318 29 1 0.000498975 -0.000130397 -0.000088000 30 1 -0.000236879 -0.000165590 0.000063767 31 1 0.000137568 0.000542399 0.000009602 32 1 -0.001312065 0.001414746 -0.000015183 ------------------------------------------------------------------- Cartesian Forces: Max 0.006292309 RMS 0.002250615 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.006377442 RMS 0.001648086 Search for a local minimum. Step number 23 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 23 22 DE= 4.51D-04 DEPred=-1.78D-03 R=-2.53D-01 Trust test=-2.53D-01 RLast= 8.36D-01 DXMaxT set to 1.75D-01 ITU= -1 0 0 0 0 0 0 -1 0 1 1 1 1 1 1 1 1 -1 1 1 ITU= 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00015 0.00283 0.00493 0.01247 0.01334 Eigenvalues --- 0.01428 0.01528 0.01545 0.01658 0.01710 Eigenvalues --- 0.01846 0.01875 0.02014 0.02059 0.02104 Eigenvalues --- 0.02112 0.02123 0.02129 0.02205 0.02515 Eigenvalues --- 0.02546 0.02572 0.02617 0.04513 0.05473 Eigenvalues --- 0.05641 0.06027 0.06311 0.07218 0.08664 Eigenvalues --- 0.13574 0.15579 0.15736 0.15840 0.15977 Eigenvalues --- 0.15998 0.16003 0.16012 0.16107 0.16197 Eigenvalues --- 0.16353 0.17627 0.19813 0.21697 0.21850 Eigenvalues --- 0.22020 0.22784 0.23150 0.23445 0.24250 Eigenvalues --- 0.24367 0.24777 0.25093 0.25354 0.26167 Eigenvalues --- 0.27576 0.29525 0.30700 0.32324 0.33444 Eigenvalues --- 0.33744 0.33821 0.34106 0.34507 0.35064 Eigenvalues --- 0.35308 0.38291 0.38355 0.38409 0.38436 Eigenvalues --- 0.38499 0.38738 0.39521 0.39821 0.42184 Eigenvalues --- 0.42899 0.44117 0.45247 0.48792 0.49001 Eigenvalues --- 0.50827 0.51665 0.55195 0.55965 0.56105 Eigenvalues --- 0.57959 0.64656 0.73070 0.88174 0.89556 RFO step: Lambda=-1.49688182D-03 EMin= 1.45128584D-04 Quartic linear search produced a step of -0.57110. Iteration 1 RMS(Cart)= 0.14072750 RMS(Int)= 0.03138570 Iteration 2 RMS(Cart)= 0.07929654 RMS(Int)= 0.00293640 Iteration 3 RMS(Cart)= 0.00433219 RMS(Int)= 0.00023276 Iteration 4 RMS(Cart)= 0.00000741 RMS(Int)= 0.00023270 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00023270 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87579 -0.00098 -0.00354 0.00074 -0.00280 2.87300 R2 2.63651 0.00016 0.00344 -0.00064 0.00281 2.63932 R3 2.77150 -0.00228 0.00553 -0.00943 -0.00390 2.76760 R4 2.03133 0.00156 0.00352 0.00840 0.01192 2.04325 R5 2.04792 -0.00097 -0.00394 -0.00166 -0.00560 2.04232 R6 2.05250 0.00002 0.00001 0.00328 0.00329 2.05579 R7 2.04896 0.00082 0.00006 0.00237 0.00243 2.05139 R8 1.78633 0.00236 0.00194 0.00449 0.00643 1.79276 R9 2.58297 0.00240 0.00373 0.00713 0.01086 2.59383 R10 1.87636 -0.00106 0.00023 -0.00218 -0.00195 1.87440 R11 2.64967 -0.00229 -0.00790 -0.01250 -0.02040 2.62927 R12 2.42293 0.00074 -0.00061 0.00005 -0.00062 2.42231 R13 2.73486 -0.00056 -0.00256 -0.00013 -0.00281 2.73204 R14 2.57506 0.00157 0.00257 -0.00033 0.00230 2.57736 R15 2.25702 0.00450 0.00233 0.00573 0.00806 2.26508 R16 2.65856 0.00147 -0.00104 -0.00418 -0.00509 2.65347 R17 2.54296 -0.00034 0.00197 -0.00471 -0.00268 2.54028 R18 2.53318 0.00056 0.00093 0.00203 0.00289 2.53607 R19 2.02146 0.00061 -0.00143 0.00093 -0.00050 2.02096 R20 3.56344 0.00300 0.00694 0.02697 0.03391 3.59735 R21 2.23491 0.00321 0.00237 0.00626 0.00863 2.24354 R22 2.83703 0.00277 0.00229 0.00550 0.00779 2.84482 R23 2.63869 -0.00183 -0.00707 -0.00381 -0.01091 2.62778 R24 2.61657 0.00418 0.00725 0.00936 0.01670 2.63327 R25 2.60019 0.00286 0.00785 0.00697 0.01470 2.61489 R26 2.02772 0.00000 0.00063 -0.00251 -0.00188 2.02584 R27 2.63322 -0.00307 -0.00781 -0.00901 -0.01690 2.61632 R28 2.03104 0.00009 0.00071 -0.00271 -0.00200 2.02904 R29 2.60428 0.00264 0.00815 0.00522 0.01340 2.61767 R30 2.03189 0.00001 0.00060 -0.00283 -0.00222 2.02966 R31 2.63086 -0.00322 -0.00808 -0.00931 -0.01728 2.61358 R32 2.03162 -0.00019 0.00031 -0.00290 -0.00259 2.02903 R33 2.03157 -0.00070 0.00069 -0.00296 -0.00227 2.02930 A1 1.96996 -0.00079 -0.01442 -0.00572 -0.02026 1.94970 A2 1.93546 0.00288 0.00320 0.01513 0.01743 1.95290 A3 1.91593 -0.00029 0.00983 0.01324 0.02265 1.93858 A4 1.86743 -0.00398 -0.00480 -0.04804 -0.05283 1.81461 A5 1.93595 0.00141 -0.00378 0.01122 0.00783 1.94377 A6 1.83391 0.00087 0.01101 0.01448 0.02503 1.85894 A7 1.91449 0.00024 0.00887 0.00860 0.01752 1.93201 A8 1.93772 -0.00199 -0.01381 -0.01438 -0.02832 1.90939 A9 1.93151 0.00003 -0.00623 -0.00959 -0.01598 1.91553 A10 1.88491 0.00073 0.00282 0.00301 0.00591 1.89081 A11 1.90294 0.00039 0.00756 0.01090 0.01850 1.92144 A12 1.89129 0.00065 0.00099 0.00212 0.00277 1.89406 A13 1.91011 -0.00032 0.00038 -0.00826 -0.00788 1.90223 A14 2.02274 -0.00261 -0.00885 -0.00745 -0.01660 2.00613 A15 2.24580 0.00195 0.00664 -0.00135 0.00499 2.25079 A16 2.01110 0.00064 0.00006 0.01481 0.01459 2.02568 A17 2.10387 0.00344 0.00706 0.00498 0.01208 2.11595 A18 2.05318 -0.00280 -0.00448 -0.00575 -0.01019 2.04299 A19 2.12613 -0.00064 -0.00271 0.00076 -0.00189 2.12424 A20 2.12533 0.00098 0.00111 -0.00284 -0.00143 2.12390 A21 2.16765 -0.00223 -0.00380 -0.00147 -0.00582 2.16182 A22 2.04909 -0.00126 0.00099 0.00118 0.00219 2.05129 A23 2.06600 0.00354 0.00303 0.00140 0.00387 2.06988 A24 2.05434 0.00348 -0.00762 0.00066 -0.00712 2.04722 A25 2.11458 -0.00358 0.00939 -0.00398 0.00525 2.11984 A26 2.11316 0.00011 -0.00186 0.00411 0.00265 2.11581 A27 2.11236 0.00044 -0.00114 -0.00370 -0.00464 2.10772 A28 2.04351 -0.00179 -0.00427 -0.00887 -0.01323 2.03028 A29 2.12722 0.00135 0.00546 0.01250 0.01788 2.14510 A30 2.03867 0.00035 0.00351 0.00109 0.00456 2.04323 A31 2.14402 0.00019 0.00165 0.00480 0.00641 2.15043 A32 2.10032 -0.00054 -0.00509 -0.00566 -0.01080 2.08952 A33 2.17132 -0.00183 0.00163 -0.00593 -0.00433 2.16699 A34 1.97269 0.00638 0.00505 0.02097 0.02599 1.99869 A35 2.13861 -0.00454 -0.00663 -0.01464 -0.02130 2.11731 A36 2.04921 -0.00432 -0.00408 -0.01106 -0.01531 2.03390 A37 2.14604 0.00620 0.00605 0.01773 0.02362 2.16966 A38 2.08760 -0.00189 -0.00212 -0.00591 -0.00798 2.07963 A39 2.09594 0.00125 0.00223 0.00516 0.00726 2.10320 A40 2.07182 -0.00031 0.00209 0.00185 0.00389 2.07572 A41 2.11542 -0.00094 -0.00433 -0.00701 -0.01139 2.10403 A42 2.09650 -0.00023 -0.00094 -0.00166 -0.00272 2.09379 A43 2.09757 -0.00041 -0.00420 -0.00271 -0.00685 2.09071 A44 2.08910 0.00064 0.00514 0.00436 0.00956 2.09867 A45 2.09592 -0.00025 -0.00101 -0.00134 -0.00239 2.09353 A46 2.08966 0.00043 0.00394 0.00288 0.00674 2.09640 A47 2.09757 -0.00017 -0.00296 -0.00135 -0.00439 2.09318 A48 2.09243 0.00057 0.00128 0.00391 0.00532 2.09775 A49 2.10498 -0.00082 -0.00469 -0.00388 -0.00879 2.09619 A50 2.08576 0.00025 0.00337 0.00015 0.00329 2.08905 A51 2.09780 0.00055 0.00037 0.00064 0.00049 2.09829 A52 2.10845 0.00150 -0.00062 0.01583 0.01421 2.12266 A53 2.07630 -0.00206 -0.00063 -0.01321 -0.01479 2.06151 D1 -3.10562 0.00123 -0.00216 0.02159 0.01946 -3.08616 D2 1.09570 0.00141 -0.00257 0.02135 0.01894 1.11464 D3 -1.00527 0.00189 0.00902 0.03460 0.04357 -0.96171 D4 -1.01054 -0.00238 -0.01575 -0.03328 -0.04920 -1.05974 D5 -3.09241 -0.00220 -0.01615 -0.03352 -0.04973 3.14105 D6 1.08981 -0.00172 -0.00457 -0.02026 -0.02510 1.06471 D7 1.00816 0.00018 0.00583 0.00108 0.00702 1.01518 D8 -1.07370 0.00036 0.00542 0.00084 0.00650 -1.06721 D9 3.10851 0.00084 0.01701 0.01410 0.03112 3.13963 D10 -1.06778 0.00011 0.00165 -0.01048 -0.00823 -1.07601 D11 3.08167 -0.00025 0.00964 0.00737 0.01648 3.09815 D12 1.09061 0.00022 0.00118 0.01122 0.01234 1.10294 D13 1.55058 0.00058 -0.10314 -0.18135 -0.28444 1.26614 D14 -1.54113 0.00037 -0.16220 -0.19922 -0.36123 -1.90237 D15 -2.57743 -0.00124 -0.12205 -0.21076 -0.33274 -2.91017 D16 0.61404 -0.00145 -0.18112 -0.22864 -0.40954 0.20450 D17 -0.51843 -0.00106 -0.12328 -0.21327 -0.33689 -0.85532 D18 2.67304 -0.00127 -0.18235 -0.23115 -0.41368 2.25935 D19 -3.13928 -0.00075 0.01560 -0.07260 -0.05670 3.08720 D20 0.00154 0.00044 0.02889 -0.08187 -0.05277 -0.05123 D21 -0.09336 -0.00098 -0.00824 0.00901 0.00056 -0.09280 D22 3.04746 0.00020 0.00506 -0.00027 0.00449 3.05196 D23 -0.16586 -0.00034 -0.00633 0.08768 0.08112 -0.08474 D24 3.01096 -0.00033 -0.00806 0.07540 0.06705 3.07801 D25 2.88060 -0.00073 -0.03062 0.16782 0.13749 3.01809 D26 -0.22577 -0.00072 -0.03235 0.15554 0.12342 -0.10235 D27 -3.14146 0.00031 0.00990 -0.01031 -0.00044 3.14128 D28 0.00093 -0.00092 -0.00398 -0.00064 -0.00456 -0.00363 D29 3.10909 -0.00074 0.02187 0.01952 0.04137 -3.13272 D30 -0.01257 -0.00044 0.01629 0.00656 0.02274 0.01018 D31 -0.03328 0.00046 0.03521 0.01012 0.04534 0.01205 D32 3.12825 0.00076 0.02964 -0.00283 0.02671 -3.12823 D33 -3.06468 -0.00123 -0.06149 -0.04963 -0.11096 3.10755 D34 0.04440 0.00095 -0.04841 -0.00835 -0.05673 -0.01233 D35 3.13173 -0.00069 0.01356 -0.00965 0.00368 3.13540 D36 -0.05970 -0.00059 0.07221 0.00797 0.08036 0.02066 D37 -0.04044 0.00126 0.02582 0.02910 0.05478 0.01434 D38 3.05132 0.00136 0.08447 0.04672 0.13147 -3.10040 D39 3.11829 0.00055 0.01899 0.01988 0.03881 -3.12609 D40 -0.03799 0.00027 0.02542 0.01448 0.03983 0.00184 D41 0.02825 0.00025 -0.04222 0.00151 -0.04072 -0.01246 D42 -3.12802 -0.00004 -0.03579 -0.00389 -0.03970 3.11546 D43 0.01743 -0.00011 -0.01080 -0.01016 -0.02105 -0.00362 D44 3.13961 -0.00039 -0.00533 0.00257 -0.00290 3.13671 D45 -3.10877 0.00022 -0.01752 -0.00432 -0.02185 -3.13062 D46 0.01341 -0.00006 -0.01205 0.00842 -0.00371 0.00971 D47 2.77997 -0.00091 -0.11815 0.20150 0.08321 2.86318 D48 -0.38928 -0.00109 -0.12363 0.23327 0.10971 -0.27957 D49 -0.32715 -0.00096 -0.12001 0.18931 0.06923 -0.25792 D50 2.78678 -0.00114 -0.12549 0.22108 0.09573 2.88251 D51 3.13506 0.00007 0.00298 -0.01448 -0.01168 3.12338 D52 -0.00627 -0.00000 0.00043 0.01115 0.01148 0.00520 D53 0.02016 0.00011 0.00808 -0.04554 -0.03728 -0.01711 D54 -3.12117 0.00004 0.00553 -0.01991 -0.01412 -3.13529 D55 -3.12530 0.00008 -0.00020 0.00546 0.00489 -3.12040 D56 -0.02248 -0.00009 -0.01891 0.10417 0.08556 0.06308 D57 -0.01195 -0.00014 -0.00582 0.03783 0.03195 0.02000 D58 3.09087 -0.00031 -0.02453 0.13655 0.11262 -3.07970 D59 -0.01268 -0.00004 -0.00408 0.01877 0.01460 0.00192 D60 3.13335 -0.00007 -0.00419 0.02068 0.01643 -3.13340 D61 3.12864 0.00004 -0.00148 -0.00751 -0.00893 3.11971 D62 -0.00851 0.00001 -0.00160 -0.00560 -0.00710 -0.01561 D63 -0.00310 -0.00005 -0.00228 0.01588 0.01367 0.01057 D64 -3.13655 -0.00002 0.00115 -0.00899 -0.00778 3.13886 D65 3.13407 -0.00002 -0.00219 0.01396 0.01180 -3.13732 D66 0.00062 0.00001 0.00124 -0.01092 -0.00966 -0.00904 D67 0.01131 0.00002 0.00451 -0.02361 -0.01897 -0.00766 D68 -3.12392 0.00008 0.00908 -0.05619 -0.04683 3.11243 D69 -3.13846 -0.00001 0.00112 0.00140 0.00249 -3.13597 D70 0.00949 0.00005 0.00569 -0.03118 -0.02537 -0.01587 D71 -0.00373 0.00008 -0.00044 -0.00338 -0.00402 -0.00775 D72 -3.10725 0.00018 0.01793 -0.10092 -0.08254 3.09340 D73 3.13158 0.00002 -0.00503 0.02883 0.02368 -3.12793 D74 0.02805 0.00011 0.01335 -0.06871 -0.05483 -0.02678 Item Value Threshold Converged? Maximum Force 0.006377 0.000450 NO RMS Force 0.001648 0.000300 NO Maximum Displacement 0.890138 0.001800 NO RMS Displacement 0.195080 0.001200 NO Predicted change in Energy=-1.784570D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.575408 -6.555991 1.340525 2 6 0 7.854249 -6.773243 2.133464 3 8 0 5.551067 -7.402704 1.770036 4 7 0 4.634807 -1.420426 1.967341 5 6 0 5.137426 -2.685908 1.794298 6 7 0 6.205418 -2.889849 1.115411 7 6 0 6.713180 -4.143178 0.937887 8 8 0 7.688654 -4.382118 0.283615 9 7 0 6.030252 -5.211558 1.541067 10 6 0 4.904242 -5.009223 2.246897 11 6 0 4.407313 -3.772918 2.407077 12 1 0 6.753642 -6.660109 0.279170 13 1 0 8.617922 -6.073044 1.825988 14 1 0 8.222698 -7.781301 1.955871 15 1 0 3.779212 -1.374880 2.467075 16 6 0 5.179802 -0.201541 1.575991 17 1 0 4.434982 -5.880917 2.651445 18 35 0 2.806306 -3.521341 3.405731 19 1 0 7.651619 -6.662024 3.194117 20 1 0 5.817271 -8.303039 1.633866 21 8 0 6.251503 -0.079006 1.080047 22 6 0 4.306409 0.992100 1.856493 23 6 0 4.922647 2.237737 1.808505 24 6 0 4.192447 3.391699 2.031922 25 6 0 2.838179 3.310524 2.307959 26 6 0 2.218490 2.073338 2.372527 27 6 0 2.946863 0.918299 2.153032 28 1 0 5.967431 2.290754 1.574286 29 1 0 4.678385 4.347996 1.984632 30 1 0 2.269606 4.204523 2.484243 31 1 0 1.174179 2.005998 2.612834 32 1 0 2.443389 -0.024650 2.255647 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520324 0.000000 3 O 1.396666 2.415150 0.000000 4 N 5.525655 6.248605 6.055255 0.000000 5 C 4.153461 4.919601 4.734960 1.372594 0.000000 6 N 3.691635 4.340026 4.606796 2.313397 1.281829 7 C 2.450054 3.106234 3.559141 3.576701 2.310861 8 O 2.661221 3.027679 3.987814 4.575209 3.415854 9 N 1.464551 2.473208 2.254587 4.062224 2.690757 10 C 2.450876 3.439066 2.524783 3.609739 2.378448 11 C 3.685602 4.578011 3.858671 2.404026 1.445736 12 H 1.081241 2.159292 2.054340 5.898616 4.549950 13 H 2.154246 1.080748 3.343161 6.126340 4.856701 14 H 2.143269 1.087876 2.704715 7.303001 5.958862 15 H 5.994309 6.771968 6.321392 0.991892 2.004038 16 C 6.510161 7.116932 7.213338 1.391351 2.494301 17 H 2.599165 3.571546 2.082874 4.517069 3.381747 18 Br 5.261207 6.138018 5.027344 3.134680 2.954451 19 H 2.145991 1.085548 2.643659 6.170939 4.908173 20 H 1.926914 2.595988 0.948688 6.991408 5.660396 21 O 6.490308 6.963569 7.389401 2.280440 2.923570 22 C 7.898623 8.541922 8.487012 2.437296 3.771233 23 C 8.959925 9.481437 9.660977 3.672906 4.928348 24 C 10.252466 10.804867 10.882718 4.832846 6.155222 25 C 10.594854 11.263826 11.064465 5.072059 6.442638 26 C 9.721783 10.491946 10.063023 4.267217 5.612927 27 C 8.348144 9.123741 8.727408 2.890202 4.232914 28 H 8.870692 9.275172 9.704370 3.962731 5.050196 29 H 11.086500 11.566772 11.785015 5.768612 7.051436 30 H 11.646317 12.321633 12.083286 6.123840 7.495229 31 H 10.202926 11.042111 10.411106 4.912533 6.196072 32 H 7.782637 8.650771 8.020546 2.614120 3.814836 6 7 8 9 10 6 N 0.000000 7 C 1.363881 0.000000 8 O 2.262464 1.198630 0.000000 9 N 2.366897 1.404156 2.240413 0.000000 10 C 2.732227 2.394952 3.464200 1.344259 0.000000 11 C 2.383567 2.759100 3.955681 2.335292 1.342031 12 H 3.900605 2.602016 2.462420 2.052797 3.165068 13 H 4.056825 2.853270 2.470158 2.742148 3.885910 14 H 5.357434 4.068277 3.825714 3.403301 4.333735 15 H 3.163637 4.313938 5.393952 4.543652 3.810856 16 C 2.913936 4.277257 5.043987 5.081807 4.862084 17 H 3.800044 3.338594 4.294112 2.055692 1.069446 18 Br 4.147084 4.662681 5.858828 4.089943 2.820997 19 H 4.543327 3.509392 3.697345 2.732262 3.343211 20 H 5.451796 4.311784 4.549601 3.100198 3.472557 21 O 2.811443 4.092780 4.606135 5.157963 5.242489 22 C 4.384628 5.745212 6.541845 6.446433 6.043650 23 C 5.330855 6.684314 7.334750 7.535934 7.260231 24 C 6.659571 8.020310 8.701280 8.811044 8.433763 25 C 7.155773 8.511780 9.316749 9.132543 8.572663 26 C 6.489156 7.804197 8.715455 8.263810 7.575732 27 C 5.118283 6.424972 7.353483 6.888900 6.243049 28 H 5.206328 6.508197 7.011110 7.502649 7.407594 29 H 7.448071 8.794095 9.389892 9.664852 9.363618 30 H 8.227663 9.582311 10.389382 10.183056 9.585968 31 H 7.178088 8.443835 9.416563 8.764887 7.953654 32 H 4.864397 6.076996 7.098538 6.346671 5.558943 11 12 13 14 15 11 C 0.000000 12 H 4.285922 0.000000 13 H 4.832957 2.492555 0.000000 14 H 5.552286 2.495300 1.758185 0.000000 15 H 2.479657 6.447311 6.774722 7.813330 0.000000 16 C 3.747290 6.772875 6.808650 8.176570 2.032833 17 H 2.122296 3.407494 4.267937 4.294424 4.557236 18 Br 1.903634 5.933693 6.540769 7.041779 2.536714 19 H 4.414962 3.050128 1.775505 1.764133 6.593787 20 H 4.807061 2.326200 3.585169 2.482333 7.269616 21 O 4.336708 6.648644 6.487284 7.998626 3.116947 22 C 4.797783 8.187381 8.276855 9.608317 2.500668 23 C 6.062329 9.212116 9.095297 10.549558 3.846057 24 C 7.177649 10.520015 10.450292 11.877905 4.804206 25 C 7.255836 10.902310 11.031277 12.334731 4.781618 26 C 6.242663 10.060957 10.373763 11.547208 3.786158 27 C 4.919855 8.685344 9.008149 10.176264 2.459694 28 H 6.316299 9.078183 8.777333 10.328511 4.361450 29 H 8.136411 11.331093 11.141956 12.636567 5.813137 30 H 8.259257 11.958645 12.098050 13.393225 5.780047 31 H 6.625056 10.567772 11.013598 12.079091 4.270571 32 H 4.234317 8.155616 8.654047 9.677599 1.911085 16 17 18 19 20 16 C 0.000000 17 H 5.828094 0.000000 18 Br 4.472416 2.964647 0.000000 19 H 7.103946 3.354308 5.778038 0.000000 20 H 8.126745 2.968647 5.921997 2.914129 0.000000 21 O 1.187232 6.279428 5.397023 7.054484 8.254089 22 C 1.505415 6.920032 5.002159 8.459627 9.419760 23 C 2.463791 8.176852 6.340111 9.411320 10.580113 24 C 3.754213 9.296453 7.183234 10.695509 11.813780 25 C 4.284107 9.335436 6.919574 11.108834 12.008507 26 C 3.818234 8.262010 5.719569 10.319905 11.007544 27 C 2.563793 6.977984 4.615129 8.982198 9.671703 28 H 2.613789 8.383608 6.864936 9.252707 10.595025 29 H 4.595290 10.253514 8.212835 11.468370 12.707036 30 H 5.357944 10.316633 7.799113 12.147092 13.028745 31 H 4.689700 8.534504 5.817559 10.836500 11.348697 32 H 2.825098 6.198303 3.698818 8.488882 8.961106 21 22 23 24 25 21 O 0.000000 22 C 2.352345 0.000000 23 C 2.768358 1.390562 0.000000 24 C 4.146272 2.408700 1.383740 0.000000 25 C 4.964621 2.781117 2.396943 1.384495 0.000000 26 C 4.750609 2.407233 2.767239 2.398039 1.385213 27 C 3.614770 1.393466 2.400695 2.771976 2.399699 28 H 2.437362 2.127237 1.072027 2.138242 3.372006 29 H 4.784487 3.378879 2.131637 1.073721 2.137111 30 H 6.014641 3.855166 3.370979 2.136023 1.074052 31 H 5.698763 3.378003 3.840789 3.371582 2.136266 32 H 3.985815 2.159617 3.386008 3.844567 3.358866 26 27 28 29 30 26 C 0.000000 27 C 1.383047 0.000000 28 H 3.839142 3.367849 0.000000 29 H 3.372775 3.845692 2.462167 0.000000 30 H 2.134724 3.371595 4.261977 2.464227 0.000000 31 H 1.073717 2.130004 4.912731 4.261344 2.459677 32 H 2.113242 1.073857 4.271325 4.918199 4.238911 31 32 31 H 0.000000 32 H 2.421158 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.518553 -0.678998 -0.250349 2 6 0 -5.082424 -1.307681 1.013848 3 8 0 -4.994590 0.620606 -0.437683 4 7 0 0.985249 -0.240372 -0.029827 5 6 0 -0.379175 -0.377590 -0.089263 6 7 0 -0.926431 -1.529700 -0.216704 7 6 0 -2.281041 -1.676809 -0.276380 8 8 0 -2.832406 -2.730146 -0.428669 9 7 0 -3.064915 -0.516013 -0.177656 10 6 0 -2.500408 0.697632 -0.053434 11 6 0 -1.166008 0.832409 -0.005900 12 1 0 -4.715408 -1.299018 -1.114007 13 1 0 -4.661390 -2.290352 1.172294 14 1 0 -6.161198 -1.409159 0.916777 15 1 0 1.309731 0.695593 0.020470 16 6 0 1.963041 -1.229375 0.010847 17 1 0 -3.170353 1.530069 -0.009432 18 35 0 -0.397932 2.566061 0.162424 19 1 0 -4.871408 -0.669702 1.866414 20 1 0 -5.938010 0.592967 -0.533623 21 8 0 1.732816 -2.391893 0.082029 22 6 0 3.376467 -0.711800 -0.014032 23 6 0 4.372074 -1.605642 0.364749 24 6 0 5.701778 -1.222963 0.351309 25 6 0 6.048441 0.059255 -0.039291 26 6 0 5.062605 0.961379 -0.404138 27 6 0 3.732594 0.582385 -0.388207 28 1 0 4.094620 -2.602127 0.646312 29 1 0 6.461783 -1.924818 0.638829 30 1 0 7.079597 0.359628 -0.048212 31 1 0 5.326536 1.964459 -0.681696 32 1 0 2.992899 1.321155 -0.633642 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5035045 0.1438959 0.1138838 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1894.0684562538 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= 339 RedAO= T EigKep= 4.27D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999954 -0.009456 0.000134 -0.001470 Ang= -1.10 deg. B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999865 -0.016295 0.000100 0.001963 Ang= -1.88 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) = -3457.12034300 A.U. after 14 cycles NFock= 14 Conv=0.97D-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 -0.002852780 0.001858217 0.003025765 2 6 -0.000066765 -0.001590925 -0.000240967 3 8 0.004878197 -0.010424691 -0.004522754 4 7 -0.000357617 -0.001693253 -0.001411988 5 6 -0.001001792 0.001627834 0.002446857 6 7 0.000111643 -0.000266982 0.000477249 7 6 -0.001297476 0.000043276 -0.004873617 8 8 -0.001519137 0.000574787 0.002180862 9 7 0.003905461 0.004812505 -0.000509648 10 6 -0.003037301 0.001805042 0.001641730 11 6 -0.001613302 0.000355100 0.001084552 12 1 0.000252668 -0.001065136 0.001036404 13 1 -0.000789024 -0.000667924 0.000546973 14 1 -0.000045716 0.000625923 0.000389383 15 1 0.001783614 -0.000536041 0.001211040 16 6 0.002660257 0.001758771 -0.001309863 17 1 -0.000083928 0.002871578 0.000428277 18 35 0.003319950 -0.000236963 -0.002235211 19 1 0.000383634 0.000059646 -0.000749590 20 1 -0.001261926 0.000628413 0.000598325 21 8 -0.001843135 -0.000609818 0.001284653 22 6 -0.001289757 -0.001198909 0.002198238 23 6 -0.001386581 0.001177148 -0.003457611 24 6 0.000634326 -0.001591238 -0.000669017 25 6 -0.000370697 -0.000625887 0.000562585 26 6 -0.000073169 0.000725098 0.001336831 27 6 0.003496433 0.000568422 0.003832827 28 1 0.000525384 -0.000527938 0.000331389 29 1 0.000407227 0.000762809 0.000315164 30 1 -0.000579124 0.000765055 -0.000095122 31 1 -0.001099775 -0.000039812 -0.000660499 32 1 -0.001789793 0.000055891 -0.004193216 ------------------------------------------------------------------- Cartesian Forces: Max 0.010424691 RMS 0.002085790 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.010193586 RMS 0.001919680 Search for a local minimum. Step number 24 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Iteration 1 RMS(Cart)= 0.13769684 RMS(Int)= 0.03157311 Iteration 2 RMS(Cart)= 0.08225082 RMS(Int)= 0.00296860 Iteration 3 RMS(Cart)= 0.00430986 RMS(Int)= 0.00000600 Iteration 4 RMS(Cart)= 0.00000790 RMS(Int)= 0.00000000 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000000 Update second derivatives using D2CorX and points 23 22 DE= 4.51D-04 DEPred=-1.78D-03 R=-2.53D-01 Trust test=-2.53D-01 RLast= 8.36D-01 DXMaxT set to 8.77D-02 ITU= -1 -1 0 0 0 0 0 0 -1 0 1 1 1 1 1 1 1 1 -1 1 ITU= 1 0 1 0 Use linear search instead of GDIIS. Energy rises -- skip Quadratic/GDIIS search. Quartic linear search produced a step of -0.57110. Iteration 1 RMS(Cart)= 0.13136728 RMS(Int)= 0.00607829 Iteration 2 RMS(Cart)= 0.00974990 RMS(Int)= 0.00021776 Iteration 3 RMS(Cart)= 0.00004326 RMS(Int)= 0.00021667 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00021667 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87579 -0.00098 -0.00354 0.00000 -0.00634 2.86946 R2 2.63651 0.00016 0.00344 0.00000 0.00625 2.64276 R3 2.77150 -0.00228 0.00553 0.00000 0.00163 2.77314 R4 2.03133 0.00156 0.00352 0.00000 0.01544 2.04677 R5 2.04792 -0.00097 -0.00394 0.00000 -0.00954 2.03838 R6 2.05250 0.00002 0.00001 0.00000 0.00330 2.05579 R7 2.04896 0.00082 0.00006 0.00000 0.00249 2.05145 R8 1.78633 0.00236 0.00194 0.00000 0.00837 1.79471 R9 2.58297 0.00240 0.00373 0.00000 0.01459 2.59756 R10 1.87636 -0.00106 0.00023 0.00000 -0.00172 1.87464 R11 2.64967 -0.00229 -0.00790 0.00000 -0.02829 2.62138 R12 2.42293 0.00074 -0.00061 0.00000 -0.00127 2.42165 R13 2.73486 -0.00056 -0.00256 0.00000 -0.00537 2.72949 R14 2.57506 0.00157 0.00257 0.00000 0.00482 2.57988 R15 2.25702 0.00450 0.00233 0.00000 0.01040 2.26741 R16 2.65856 0.00147 -0.00104 0.00000 -0.00614 2.65242 R17 2.54296 -0.00034 0.00197 0.00000 -0.00066 2.54230 R18 2.53318 0.00056 0.00093 0.00000 0.00387 2.53705 R19 2.02146 0.00061 -0.00143 0.00000 -0.00193 2.01953 R20 3.56344 0.00300 0.00694 0.00000 0.04085 3.60429 R21 2.23491 0.00321 0.00237 0.00000 0.01100 2.24592 R22 2.83703 0.00277 0.00229 0.00000 0.01008 2.84711 R23 2.63869 -0.00183 -0.00707 0.00000 -0.01796 2.62073 R24 2.61657 0.00418 0.00725 0.00000 0.02389 2.64046 R25 2.60019 0.00286 0.00785 0.00000 0.02263 2.62281 R26 2.02772 0.00000 0.00063 0.00000 -0.00126 2.02646 R27 2.63322 -0.00307 -0.00781 0.00000 -0.02465 2.60857 R28 2.03104 0.00009 0.00071 0.00000 -0.00129 2.02975 R29 2.60428 0.00264 0.00815 0.00000 0.02154 2.62581 R30 2.03189 0.00001 0.00060 0.00000 -0.00162 2.03027 R31 2.63086 -0.00322 -0.00808 0.00000 -0.02544 2.60542 R32 2.03162 -0.00019 0.00031 0.00000 -0.00228 2.02934 R33 2.03157 -0.00070 0.00069 0.00000 -0.00158 2.02999 A1 1.96996 -0.00079 -0.01442 0.00000 -0.03471 1.93525 A2 1.93546 0.00288 0.00320 0.00000 0.01998 1.95545 A3 1.91593 -0.00029 0.00983 0.00000 0.03218 1.94811 A4 1.86743 -0.00398 -0.00480 0.00000 -0.05769 1.80975 A5 1.93595 0.00141 -0.00378 0.00000 0.00441 1.94036 A6 1.83391 0.00087 0.01101 0.00000 0.03566 1.86956 A7 1.91449 0.00024 0.00887 0.00000 0.02645 1.94094 A8 1.93772 -0.00199 -0.01381 0.00000 -0.04228 1.89544 A9 1.93151 0.00003 -0.00623 0.00000 -0.02239 1.90911 A10 1.88491 0.00073 0.00282 0.00000 0.00884 1.89375 A11 1.90294 0.00039 0.00756 0.00000 0.02608 1.92901 A12 1.89129 0.00065 0.00099 0.00000 0.00336 1.89464 A13 1.91011 -0.00032 0.00038 0.00000 -0.00750 1.90261 A14 2.02274 -0.00261 -0.00885 0.00000 -0.02505 1.99769 A15 2.24580 0.00195 0.00664 0.00000 0.01203 2.25783 A16 2.01110 0.00064 0.00006 0.00000 0.01506 2.02615 A17 2.10387 0.00344 0.00706 0.00000 0.01932 2.12320 A18 2.05318 -0.00280 -0.00448 0.00000 -0.01448 2.03870 A19 2.12613 -0.00064 -0.00271 0.00000 -0.00497 2.12117 A20 2.12533 0.00098 0.00111 0.00000 -0.00096 2.12437 A21 2.16765 -0.00223 -0.00380 0.00000 -0.00959 2.15806 A22 2.04909 -0.00126 0.00099 0.00000 0.00260 2.05169 A23 2.06600 0.00354 0.00303 0.00000 0.00692 2.07293 A24 2.05434 0.00348 -0.00762 0.00000 -0.01551 2.03883 A25 2.11458 -0.00358 0.00939 0.00000 0.01381 2.12840 A26 2.11316 0.00011 -0.00186 0.00000 -0.00047 2.11269 A27 2.11236 0.00044 -0.00114 0.00000 -0.00601 2.10635 A28 2.04351 -0.00179 -0.00427 0.00000 -0.01738 2.02613 A29 2.12722 0.00135 0.00546 0.00000 0.02346 2.15068 A30 2.03867 0.00035 0.00351 0.00000 0.00777 2.04645 A31 2.14402 0.00019 0.00165 0.00000 0.00817 2.15219 A32 2.10032 -0.00054 -0.00509 0.00000 -0.01578 2.08454 A33 2.17132 -0.00183 0.00163 0.00000 -0.00271 2.16862 A34 1.97269 0.00638 0.00505 0.00000 0.03104 2.00373 A35 2.13861 -0.00454 -0.00663 0.00000 -0.02794 2.11067 A36 2.04921 -0.00432 -0.00408 0.00000 -0.01930 2.02991 A37 2.14604 0.00620 0.00605 0.00000 0.02976 2.17581 A38 2.08760 -0.00189 -0.00212 0.00000 -0.01015 2.07745 A39 2.09594 0.00125 0.00223 0.00000 0.00955 2.10549 A40 2.07182 -0.00031 0.00209 0.00000 0.00598 2.07781 A41 2.11542 -0.00094 -0.00433 0.00000 -0.01572 2.09970 A42 2.09650 -0.00023 -0.00094 0.00000 -0.00357 2.09294 A43 2.09757 -0.00041 -0.00420 0.00000 -0.01110 2.08647 A44 2.08910 0.00064 0.00514 0.00000 0.01466 2.10376 A45 2.09592 -0.00025 -0.00101 0.00000 -0.00338 2.09254 A46 2.08966 0.00043 0.00394 0.00000 0.01070 2.10036 A47 2.09757 -0.00017 -0.00296 0.00000 -0.00733 2.09024 A48 2.09243 0.00057 0.00128 0.00000 0.00650 2.09893 A49 2.10498 -0.00082 -0.00469 0.00000 -0.01337 2.09161 A50 2.08576 0.00025 0.00337 0.00000 0.00677 2.09253 A51 2.09780 0.00055 0.00037 0.00000 0.00114 2.09894 A52 2.10845 0.00150 -0.00062 0.00000 0.01415 2.12260 A53 2.07630 -0.00206 -0.00063 0.00000 -0.01487 2.06143 D1 -3.10562 0.00123 -0.00216 0.00000 0.01725 -3.08838 D2 1.09570 0.00141 -0.00257 0.00000 0.01648 1.11218 D3 -1.00527 0.00189 0.00902 0.00000 0.05244 -0.95283 D4 -1.01054 -0.00238 -0.01575 0.00000 -0.06506 -1.07560 D5 3.19078 -0.00220 -0.01615 0.00000 -0.06583 3.12495 D6 1.08981 -0.00172 -0.00457 0.00000 -0.02987 1.05994 D7 1.00816 0.00018 0.00583 0.00000 0.01294 1.02110 D8 -1.07370 0.00036 0.00542 0.00000 0.01218 -1.06153 D9 3.10851 0.00084 0.01701 0.00000 0.04813 -3.12654 D10 -1.06778 0.00011 0.00165 0.00000 -0.00624 -1.07402 D11 3.08167 -0.00025 0.00964 0.00000 0.02582 3.10749 D12 1.09061 0.00022 0.00118 0.00000 0.01347 1.10408 D13 1.55058 0.00058 -0.10314 0.00000 -0.38748 1.16310 D14 -1.54113 0.00037 -0.16220 0.00000 -0.52333 -2.06446 D15 -2.57743 -0.00124 -0.12205 0.00000 -0.45471 -3.03214 D16 0.61404 -0.00145 -0.18112 0.00000 -0.59056 0.02348 D17 -0.51843 -0.00106 -0.12328 0.00000 -0.46037 -0.97881 D18 2.67304 -0.00127 -0.18235 0.00000 -0.59622 2.07682 D19 3.14390 -0.00075 0.01560 0.00000 -0.04110 3.10280 D20 0.00154 0.00044 0.02889 0.00000 -0.02389 -0.02235 D21 -0.09336 -0.00098 -0.00824 0.00000 -0.00767 -0.10103 D22 3.04746 0.00020 0.00506 0.00000 0.00954 3.05701 D23 -0.16586 -0.00034 -0.00633 0.00000 0.07482 -0.09103 D24 3.01096 -0.00033 -0.00806 0.00000 0.05897 3.06994 D25 2.88060 -0.00073 -0.03062 0.00000 0.10688 2.98748 D26 -0.22577 -0.00072 -0.03235 0.00000 0.09103 -0.13474 D27 3.14172 0.00031 0.00990 0.00000 0.00949 -3.13197 D28 0.00093 -0.00092 -0.00398 0.00000 -0.00853 -0.00760 D29 -3.17410 -0.00074 0.02187 0.00000 0.06324 -3.11086 D30 -0.01257 -0.00044 0.01629 0.00000 0.03904 0.02647 D31 -0.03328 0.00046 0.03521 0.00000 0.08044 0.04715 D32 -3.15494 0.00076 0.02964 0.00000 0.05624 -3.09870 D33 3.21851 -0.00123 -0.06149 0.00000 -0.17211 3.04640 D34 0.04440 0.00095 -0.04841 0.00000 -0.10502 -0.06062 D35 3.13173 -0.00069 0.01356 0.00000 0.01755 -3.13391 D36 -0.05970 -0.00059 0.07221 0.00000 0.15253 0.09283 D37 -0.04044 0.00126 0.02582 0.00000 0.08096 0.04052 D38 -3.23186 0.00136 0.08447 0.00000 0.21593 -3.01593 D39 -3.16490 0.00055 0.01899 0.00000 0.05818 -3.10672 D40 -0.03799 0.00027 0.02542 0.00000 0.06548 0.02749 D41 0.02825 0.00025 -0.04222 0.00000 -0.08294 -0.05469 D42 3.15516 -0.00004 -0.03579 0.00000 -0.07564 3.07952 D43 0.01743 -0.00011 -0.01080 0.00000 -0.03181 -0.01438 D44 3.13961 -0.00039 -0.00533 0.00000 -0.00831 3.13130 D45 -3.10877 0.00022 -0.01752 0.00000 -0.03928 3.13514 D46 0.01341 -0.00006 -0.01205 0.00000 -0.01578 -0.00237 D47 2.77997 -0.00091 -0.11815 0.00000 -0.03496 2.74501 D48 -0.38928 -0.00109 -0.12363 0.00000 -0.01394 -0.40323 D49 -0.32715 -0.00096 -0.12001 0.00000 -0.05076 -0.37791 D50 2.78678 -0.00114 -0.12549 0.00000 -0.02974 2.75704 D51 3.13506 0.00007 0.00298 0.00000 -0.00878 3.12628 D52 -0.00627 -0.00000 0.00043 0.00000 0.01189 0.00562 D53 0.02016 0.00011 0.00808 0.00000 -0.02922 -0.00906 D54 -3.12117 0.00004 0.00553 0.00000 -0.00855 -3.12972 D55 -3.12530 0.00008 -0.00020 0.00000 0.00473 -3.12057 D56 -0.02248 -0.00009 -0.01891 0.00000 0.06654 0.04405 D57 -0.01195 -0.00014 -0.00582 0.00000 0.02616 0.01421 D58 -3.19232 -0.00031 -0.02453 0.00000 0.08797 -3.10435 D59 -0.01268 -0.00004 -0.00408 0.00000 0.01053 -0.00215 D60 -3.14984 -0.00007 -0.00419 0.00000 0.01224 -3.13760 D61 3.12864 0.00004 -0.00148 0.00000 -0.01039 3.11825 D62 -0.00851 0.00001 -0.00160 0.00000 -0.00869 -0.01720 D63 -0.00310 -0.00005 -0.00228 0.00000 0.01144 0.00833 D64 3.14663 -0.00002 0.00115 0.00000 -0.00665 3.13998 D65 -3.14911 -0.00002 -0.00219 0.00000 0.00965 -3.13947 D66 0.00062 0.00001 0.00124 0.00000 -0.00844 -0.00782 D67 0.01131 0.00002 0.00451 0.00000 -0.01449 -0.00317 D68 3.15927 0.00008 0.00908 0.00000 -0.03775 3.12152 D69 -3.13846 -0.00001 0.00112 0.00000 0.00358 -3.13488 D70 0.00949 0.00005 0.00569 0.00000 -0.01968 -0.01019 D71 -0.00373 0.00008 -0.00044 0.00000 -0.00446 -0.00819 D72 3.17593 0.00018 0.01793 0.00000 -0.06477 3.11116 D73 -3.15161 0.00002 -0.00503 0.00000 0.01873 -3.13287 D74 0.02805 0.00011 0.01335 0.00000 -0.04157 -0.01352 Item Value Threshold Converged? Maximum Force 0.010194 0.000450 NO RMS Force 0.001920 0.000300 NO Maximum Displacement 0.537517 0.001800 NO RMS Displacement 0.133689 0.001200 NO Predicted change in Energy=-9.779662D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.552910 -6.577176 1.387820 2 6 0 7.931875 -6.732872 2.004188 3 8 0 5.624608 -7.404626 2.027625 4 7 0 4.628944 -1.422712 1.969565 5 6 0 5.124022 -2.693392 1.797207 6 7 0 6.181851 -2.915277 1.108754 7 6 0 6.668531 -4.177849 0.927476 8 8 0 7.598461 -4.435902 0.214517 9 7 0 6.010297 -5.228177 1.585985 10 6 0 4.878388 -5.010996 2.279903 11 6 0 4.383092 -3.770151 2.411905 12 1 0 6.569915 -6.760346 0.320453 13 1 0 8.640701 -6.058468 1.550025 14 1 0 8.272083 -7.753092 1.840206 15 1 0 3.786830 -1.377351 2.491945 16 6 0 5.170188 -0.206986 1.578012 17 1 0 4.411725 -5.875567 2.700426 18 35 0 2.766713 -3.505142 3.389105 19 1 0 7.870468 -6.556888 3.073646 20 1 0 5.890109 -8.309901 1.918307 21 8 0 6.242906 -0.081007 1.082122 22 6 0 4.297737 0.990595 1.851048 23 6 0 4.944379 2.214037 1.942349 24 6 0 4.225393 3.378513 2.173467 25 6 0 2.853040 3.324244 2.312017 26 6 0 2.196447 2.102419 2.229569 27 6 0 2.909881 0.943982 2.006120 28 1 0 6.008174 2.251707 1.812446 29 1 0 4.743659 4.317131 2.237330 30 1 0 2.289886 4.221204 2.492545 31 1 0 1.130918 2.058811 2.355905 32 1 0 2.370870 0.015233 1.977011 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518452 0.000000 3 O 1.398488 2.403182 0.000000 4 N 5.532501 6.253668 6.064488 0.000000 5 C 4.158497 4.923848 4.743354 1.374568 0.000000 6 N 3.691215 4.293998 4.616178 2.319540 1.281484 7 C 2.445824 3.046882 3.565416 3.582826 2.312045 8 O 2.656101 2.930898 3.999598 4.580125 3.415274 9 N 1.467480 2.476180 2.254048 4.066550 2.693554 10 C 2.460235 3.516342 2.519911 3.610307 2.380047 11 C 3.692729 4.640885 3.859850 2.401370 1.444383 12 H 1.083104 2.165793 2.055028 5.914159 4.561965 13 H 2.157369 1.078665 3.337224 6.144953 4.873589 14 H 2.131429 1.087879 2.676879 7.304993 5.959254 15 H 5.992367 6.789765 6.318312 0.992016 2.000677 16 C 6.521305 7.098996 7.225972 1.387173 2.496476 17 H 2.607655 3.689333 2.064405 4.517661 3.383698 18 Br 5.270467 6.246210 5.022665 3.133611 2.958037 19 H 2.139714 1.085578 2.618531 6.171405 4.909060 20 H 1.929523 2.581319 0.949717 7.001895 5.669808 21 O 6.510742 6.924604 7.410241 2.278728 2.930495 22 C 7.910218 8.537117 8.501265 2.438810 3.775898 23 C 8.954345 9.432716 9.643063 3.650504 4.912860 24 C 10.254282 10.770644 10.874518 4.822467 6.149563 25 C 10.610433 11.270976 11.084724 5.079832 6.452467 26 C 9.747958 10.536048 10.108263 4.290826 5.635374 27 C 8.379843 9.173577 8.778921 2.925364 4.263397 28 H 8.855857 9.190215 9.666343 3.927889 5.023540 29 H 11.076144 11.503114 11.756684 5.747230 7.034615 30 H 11.661852 12.331355 12.103572 6.131761 7.505162 31 H 10.242825 11.120720 10.481301 4.950399 6.232211 32 H 7.829206 8.744281 8.102079 2.677058 3.866371 6 7 8 9 10 6 N 0.000000 7 C 1.365213 0.000000 8 O 2.262465 1.199864 0.000000 9 N 2.367844 1.403600 2.242965 0.000000 10 C 2.731785 2.393283 3.463431 1.345328 0.000000 11 C 2.380031 2.755536 3.950993 2.335761 1.342550 12 H 3.944182 2.654711 2.544046 2.064531 3.124249 13 H 4.015012 2.795309 2.345756 2.758569 3.973024 14 H 5.320578 4.023285 3.755048 3.399339 4.385156 15 H 3.164579 4.312140 5.391655 4.537998 3.799979 16 C 2.928909 4.293714 5.063533 5.090992 4.863776 17 H 3.798695 3.334482 4.290416 2.053418 1.068689 18 Br 4.148628 4.662224 5.855776 4.091567 2.820832 19 H 4.469179 3.422065 3.570321 2.727425 3.460109 20 H 5.462825 4.319900 4.563906 3.101920 3.469452 21 O 2.835053 4.121794 4.642777 5.177001 5.253702 22 C 4.399628 5.760769 6.558955 6.455714 6.044847 23 C 5.341917 6.697677 7.365545 7.526601 7.233216 24 C 6.676311 8.038658 8.733851 8.809433 8.415557 25 C 7.173593 8.529731 9.334795 9.145452 8.577837 26 C 6.505147 7.818999 8.717329 8.288382 7.602369 27 C 5.138573 6.443917 7.357702 6.919872 6.277877 28 H 5.217573 6.523682 7.057372 7.483311 7.364903 29 H 7.459879 8.808265 9.426412 9.650985 9.329197 30 H 8.245704 9.600316 10.407491 10.195789 9.590573 31 H 7.197837 8.461767 9.412543 8.803483 8.001968 32 H 4.885216 6.095354 7.088491 6.394660 5.625155 11 12 13 14 15 11 C 0.000000 12 H 4.254131 0.000000 13 H 4.909834 2.508513 0.000000 14 H 5.595973 2.488489 1.758362 0.000000 15 H 2.467271 6.437202 6.808828 7.822553 0.000000 16 C 3.743133 6.818154 6.803315 8.162979 2.029460 17 H 2.125286 3.332400 4.386469 4.378064 4.546196 18 Br 1.907309 5.871739 6.663740 7.124133 2.524486 19 H 4.512826 3.051706 1.778511 1.764532 6.621335 20 H 4.808749 2.327315 3.573561 2.447435 7.267261 21 O 4.340164 6.730575 6.457430 7.972023 3.114550 22 C 4.794429 8.220864 8.285001 9.604562 2.505783 23 C 6.028767 9.263502 9.069237 10.508459 3.813141 24 C 7.154377 10.570094 10.437444 11.849025 4.786649 25 C 7.258200 10.930710 11.050472 12.340827 4.796804 26 C 6.269110 10.065811 10.420666 11.584303 3.834966 27 C 4.955609 8.694480 9.060057 10.218603 2.528567 28 H 6.266021 9.151977 8.721128 10.257781 4.308846 29 H 8.097198 11.389474 11.104611 12.581644 5.779920 30 H 8.261342 11.984618 12.119937 13.401344 5.795228 31 H 6.675071 10.559511 11.087674 12.146425 4.345065 32 H 4.308979 8.141537 8.739734 9.756532 2.051680 16 17 18 19 20 16 C 0.000000 17 H 5.828198 0.000000 18 Br 4.464816 2.966354 0.000000 19 H 7.060432 3.544911 5.954912 0.000000 20 H 8.141948 2.953525 5.916464 2.886119 0.000000 21 O 1.188487 6.288804 5.397295 6.967939 8.278790 22 C 1.506625 6.919438 4.992125 8.439411 9.436069 23 C 2.458675 8.142487 6.288429 9.315093 10.566373 24 C 3.755396 9.270943 7.140744 10.621162 11.809123 25 C 4.286901 9.338997 6.914339 11.108169 12.030466 26 C 3.821127 8.293216 5.754518 10.387039 11.052440 27 C 2.572351 7.017395 4.661314 9.055942 9.722336 28 H 2.608132 8.330050 6.792219 9.091211 10.562798 29 H 4.591760 10.208610 8.150022 11.345512 12.682983 30 H 5.361098 10.319409 7.792792 12.151043 13.050668 31 H 4.696238 8.592831 5.890747 10.962069 11.417161 32 H 2.836328 6.276141 3.813626 8.639500 9.038603 21 22 23 24 25 21 O 0.000000 22 C 2.350162 0.000000 23 C 2.773696 1.386828 0.000000 24 C 4.150863 2.410671 1.387934 0.000000 25 C 4.959794 2.783084 2.396437 1.380396 0.000000 26 C 4.738967 2.407249 2.765155 2.397536 1.389520 27 C 3.607413 1.397270 2.399227 2.772276 2.400511 28 H 2.455611 2.125438 1.072359 2.139705 3.369685 29 H 4.788095 3.378446 2.133144 1.074096 2.136783 30 H 6.010381 3.857437 3.373095 2.134977 1.074370 31 H 5.686279 3.380046 3.838960 3.369076 2.137511 32 H 3.975267 2.163334 3.385098 3.845711 3.360694 26 27 28 29 30 26 C 0.000000 27 C 1.378729 0.000000 28 H 3.837387 3.368542 0.000000 29 H 3.375395 3.846340 2.458760 0.000000 30 H 2.137086 3.370636 4.262291 2.468874 0.000000 31 H 1.073879 2.128357 4.911231 4.262156 2.457198 32 H 2.109634 1.074222 4.273040 4.919778 4.238222 31 32 31 H 0.000000 32 H 2.420176 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.533550 -0.636485 -0.236121 2 6 0 -5.080565 -1.458992 0.917115 3 8 0 -5.010330 0.677095 -0.181741 4 7 0 0.981327 -0.247290 -0.028191 5 6 0 -0.385719 -0.374078 -0.095635 6 7 0 -0.948447 -1.515078 -0.249451 7 6 0 -2.305556 -1.641328 -0.327702 8 8 0 -2.864389 -2.676220 -0.565140 9 7 0 -3.076425 -0.480583 -0.158805 10 6 0 -2.495221 0.726312 -0.034252 11 6 0 -1.158066 0.843159 -0.005878 12 1 0 -4.754938 -1.093758 -1.192679 13 1 0 -4.674661 -2.458351 0.910671 14 1 0 -6.161582 -1.524744 0.814354 15 1 0 1.303456 0.687079 0.057138 16 6 0 1.955883 -1.233921 0.004168 17 1 0 -3.157603 1.562400 0.031346 18 35 0 -0.371553 2.573297 0.154895 19 1 0 -4.852301 -0.961510 1.854605 20 1 0 -5.956964 0.666012 -0.257402 21 8 0 1.726955 -2.398532 0.065602 22 6 0 3.373194 -0.723391 -0.018414 23 6 0 4.341735 -1.576061 0.489693 24 6 0 5.678817 -1.203861 0.495964 25 6 0 6.053838 0.024689 -0.009523 26 6 0 5.090237 0.889332 -0.514132 27 6 0 3.760902 0.523597 -0.515474 28 1 0 4.045967 -2.537572 0.861138 29 1 0 6.414831 -1.879449 0.890359 30 1 0 7.086717 0.320364 -0.006711 31 1 0 5.380750 1.852356 -0.890170 32 1 0 3.042007 1.229840 -0.887447 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5023609 0.1434484 0.1137234 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.6282954902 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= 339 RedAO= T EigKep= 4.28D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999912 -0.013243 0.000128 0.000595 Ang= -1.52 deg. B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999991 -0.003553 -0.000037 0.002109 Ang= -0.47 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) = -3457.11915900 A.U. after 14 cycles NFock= 14 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 -0.005172430 0.001312689 0.006425218 2 6 0.000196498 -0.002960914 -0.000230068 3 8 0.004422751 -0.011532615 -0.005840803 4 7 -0.001130716 -0.004714692 0.000140439 5 6 -0.002133129 0.001819207 0.000588539 6 7 0.001098366 0.000719053 0.001278072 7 6 -0.002537639 0.001394269 -0.008174657 8 8 -0.003165816 0.001753605 0.004074217 9 7 0.005740986 0.004904056 -0.002925550 10 6 -0.001410055 0.001905791 0.001121697 11 6 -0.003100865 -0.001354346 0.002972145 12 1 0.001021858 -0.000309563 0.001654745 13 1 -0.000212813 -0.000660830 0.001056572 14 1 0.000636770 0.000534356 0.000781979 15 1 0.000145653 0.001265938 0.001215699 16 6 0.004683453 0.004867815 -0.004786550 17 1 -0.000846157 0.003053541 0.000594512 18 35 0.004500916 -0.000374668 -0.002599360 19 1 0.000626489 0.000153684 -0.001072045 20 1 -0.001387478 0.001854423 0.000809320 21 8 -0.002695885 -0.001763231 0.002509415 22 6 -0.003095813 -0.002172246 0.002769826 23 6 -0.000803121 0.004660135 -0.002597838 24 6 0.003866148 -0.003136666 -0.001190286 25 6 -0.003477187 -0.002411042 0.000584504 26 6 -0.000290855 0.005179841 0.001721168 27 6 0.005167527 -0.003318087 0.002892390 28 1 0.000326722 -0.000634903 0.000276449 29 1 -0.000098884 0.000669468 0.000392472 30 1 -0.000183281 0.000733465 -0.000135054 31 1 -0.000892372 -0.000360095 -0.000769393 32 1 0.000200360 -0.001077441 -0.003537774 ------------------------------------------------------------------- Cartesian Forces: Max 0.011532615 RMS 0.002934640 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.010236083 RMS 0.002134612 Search for a local minimum. Step number 25 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 25 22 ITU= 0 -1 -1 0 0 0 0 0 0 -1 0 1 1 1 1 1 1 1 1 -1 ITU= 1 1 0 1 0 Use linear search instead of GDIIS. Energy rises -- skip Quadratic/GDIIS search. Quartic linear search produced a step of -0.85384. Iteration 1 RMS(Cart)= 0.14031502 RMS(Int)= 0.00636935 Iteration 2 RMS(Cart)= 0.01169718 RMS(Int)= 0.00005375 Iteration 3 RMS(Cart)= 0.00006689 RMS(Int)= 0.00003262 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00003262 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86946 0.00165 0.00012 0.00000 0.00012 2.86958 R2 2.64276 0.00141 -0.00019 0.00000 -0.00019 2.64257 R3 2.77314 0.01024 0.00688 0.00000 0.00688 2.78001 R4 2.04677 -0.00156 -0.00792 0.00000 -0.00792 2.03885 R5 2.03838 -0.00100 0.00226 0.00000 0.00226 2.04064 R6 2.05579 -0.00042 -0.00280 0.00000 -0.00280 2.05299 R7 2.05145 -0.00107 -0.00204 0.00000 -0.00204 2.04941 R8 1.79471 -0.00225 -0.00424 0.00000 -0.00424 1.79046 R9 2.59756 -0.00273 -0.00688 0.00000 -0.00688 2.59068 R10 1.87464 0.00057 0.00182 0.00000 0.00182 1.87645 R11 2.62138 0.00267 0.01235 0.00000 0.01235 2.63373 R12 2.42165 -0.00165 0.00017 0.00000 0.00018 2.42183 R13 2.72949 -0.00084 0.00076 0.00000 0.00076 2.73025 R14 2.57988 -0.00098 -0.00028 0.00000 -0.00028 2.57960 R15 2.26741 -0.00525 -0.00539 0.00000 -0.00539 2.26203 R16 2.65242 0.00235 0.00369 0.00000 0.00368 2.65610 R17 2.54230 0.00428 0.00351 0.00000 0.00351 2.54581 R18 2.53705 -0.00087 -0.00192 0.00000 -0.00192 2.53514 R19 2.01953 -0.00187 -0.00049 0.00000 -0.00049 2.01903 R20 3.60429 -0.00520 -0.02450 0.00000 -0.02450 3.57979 R21 2.24592 -0.00367 -0.00585 0.00000 -0.00585 2.24007 R22 2.84711 -0.00183 -0.00519 0.00000 -0.00519 2.84192 R23 2.62073 0.00141 0.00477 0.00000 0.00477 2.62550 R24 2.64046 -0.00365 -0.00955 0.00000 -0.00957 2.63089 R25 2.62281 -0.00224 -0.00758 0.00000 -0.00756 2.61525 R26 2.02646 0.00027 0.00201 0.00000 0.00201 2.02848 R27 2.60857 0.00324 0.00937 0.00000 0.00939 2.61796 R28 2.02975 0.00056 0.00216 0.00000 0.00216 2.03191 R29 2.62581 -0.00185 -0.00620 0.00000 -0.00620 2.61961 R30 2.03027 0.00069 0.00228 0.00000 0.00228 2.03255 R31 2.60542 0.00347 0.00964 0.00000 0.00961 2.61503 R32 2.02934 0.00081 0.00241 0.00000 0.00241 2.03175 R33 2.02999 0.00093 0.00238 0.00000 0.00238 2.03237 A1 1.93525 -0.00436 0.00807 0.00000 0.00809 1.94334 A2 1.95545 -0.00182 -0.01228 0.00000 -0.01221 1.94324 A3 1.94811 0.00142 -0.01278 0.00000 -0.01274 1.93537 A4 1.80975 0.00960 0.04209 0.00000 0.04208 1.85183 A5 1.94036 -0.00239 -0.00941 0.00000 -0.00943 1.93093 A6 1.86956 -0.00193 -0.01398 0.00000 -0.01395 1.85562 A7 1.94094 0.00066 -0.00933 0.00000 -0.00933 1.93161 A8 1.89544 0.00138 0.01545 0.00000 0.01546 1.91090 A9 1.90911 0.00024 0.00980 0.00000 0.00982 1.91893 A10 1.89375 -0.00075 -0.00333 0.00000 -0.00333 1.89041 A11 1.92901 -0.00082 -0.01096 0.00000 -0.01096 1.91806 A12 1.89464 -0.00072 -0.00138 0.00000 -0.00135 1.89329 A13 1.90261 0.00176 0.00697 0.00000 0.00697 1.90959 A14 1.99769 0.00164 0.00816 0.00000 0.00825 2.00594 A15 2.25783 -0.00108 -0.00035 0.00000 -0.00026 2.25757 A16 2.02615 -0.00058 -0.01276 0.00000 -0.01267 2.01348 A17 2.12320 -0.00225 -0.00594 0.00000 -0.00595 2.11725 A18 2.03870 0.00254 0.00567 0.00000 0.00567 2.04437 A19 2.12117 -0.00029 0.00018 0.00000 0.00019 2.12136 A20 2.12437 0.00037 0.00247 0.00000 0.00247 2.12684 A21 2.15806 -0.00163 0.00251 0.00000 0.00255 2.16061 A22 2.05169 0.00222 -0.00074 0.00000 -0.00071 2.05098 A23 2.07293 -0.00053 -0.00138 0.00000 -0.00134 2.07159 A24 2.03883 -0.00003 0.00185 0.00000 0.00187 2.04071 A25 2.12840 0.00442 0.00224 0.00000 0.00226 2.13066 A26 2.11269 -0.00440 -0.00238 0.00000 -0.00237 2.11032 A27 2.10635 0.00106 0.00343 0.00000 0.00343 2.10978 A28 2.02613 0.00209 0.00845 0.00000 0.00845 2.03458 A29 2.15068 -0.00314 -0.01186 0.00000 -0.01186 2.13882 A30 2.04645 0.00096 -0.00139 0.00000 -0.00138 2.04507 A31 2.15219 -0.00108 -0.00451 0.00000 -0.00451 2.14769 A32 2.08454 0.00013 0.00586 0.00000 0.00586 2.09040 A33 2.16862 0.00065 0.00475 0.00000 0.00475 2.17337 A34 2.00373 -0.00467 -0.01895 0.00000 -0.01894 1.98479 A35 2.11067 0.00402 0.01394 0.00000 0.01394 2.12461 A36 2.02991 0.00274 0.01038 0.00000 0.01041 2.04032 A37 2.17581 -0.00403 -0.01636 0.00000 -0.01633 2.15948 A38 2.07745 0.00129 0.00549 0.00000 0.00548 2.08293 A39 2.10549 -0.00083 -0.00482 0.00000 -0.00480 2.10069 A40 2.07781 -0.00019 -0.00198 0.00000 -0.00197 2.07583 A41 2.09970 0.00103 0.00695 0.00000 0.00696 2.10666 A42 2.09294 0.00036 0.00164 0.00000 0.00166 2.09460 A43 2.08647 0.00029 0.00320 0.00000 0.00319 2.08966 A44 2.10376 -0.00065 -0.00483 0.00000 -0.00484 2.09892 A45 2.09254 -0.00008 0.00137 0.00000 0.00138 2.09392 A46 2.10036 -0.00020 -0.00324 0.00000 -0.00323 2.09713 A47 2.09024 0.00028 0.00184 0.00000 0.00185 2.09209 A48 2.09893 -0.00079 -0.00364 0.00000 -0.00366 2.09526 A49 2.09161 0.00085 0.00441 0.00000 0.00445 2.09605 A50 2.09253 -0.00005 -0.00074 0.00000 -0.00070 2.09183 A51 2.09894 0.00006 -0.00041 0.00000 -0.00032 2.09862 A52 2.12260 -0.00129 -0.01301 0.00000 -0.01282 2.10977 A53 2.06143 0.00126 0.01176 0.00000 0.01195 2.07338 D1 -3.08838 -0.00428 -0.01796 0.00000 -0.01796 -3.10634 D2 1.11218 -0.00463 -0.01792 0.00000 -0.01793 1.09425 D3 -0.95283 -0.00471 -0.03129 0.00000 -0.03129 -0.98413 D4 -1.07560 0.00378 0.03201 0.00000 0.03203 -1.04357 D5 3.12495 0.00343 0.03205 0.00000 0.03206 -3.12617 D6 1.05994 0.00335 0.01868 0.00000 0.01870 1.07864 D7 1.02110 0.00104 -0.00233 0.00000 -0.00234 1.01876 D8 -1.06153 0.00068 -0.00229 0.00000 -0.00231 -1.06384 D9 -3.12654 0.00060 -0.01567 0.00000 -0.01567 3.14098 D10 -1.07402 0.00148 0.00779 0.00000 0.00775 -1.06627 D11 3.10749 0.00022 -0.00763 0.00000 -0.00758 3.09991 D12 1.10408 -0.00163 -0.00974 0.00000 -0.00974 1.09434 D13 1.16310 0.00220 0.17665 0.00000 0.17664 1.33974 D14 -2.06446 0.00182 0.20433 0.00000 0.20432 -1.86014 D15 -3.03214 0.00187 0.20578 0.00000 0.20577 -2.82637 D16 0.02348 0.00149 0.23346 0.00000 0.23345 0.25693 D17 -0.97881 0.00287 0.20877 0.00000 0.20879 -0.77002 D18 2.07682 0.00250 0.23645 0.00000 0.23647 2.31328 D19 3.10280 0.00027 0.05841 0.00000 0.05838 -3.12200 D20 -0.02235 0.00019 0.06360 0.00000 0.06357 0.04123 D21 -0.10103 -0.00007 -0.00577 0.00000 -0.00575 -0.10678 D22 3.05701 -0.00015 -0.00059 0.00000 -0.00056 3.05645 D23 -0.09103 -0.00070 -0.07336 0.00000 -0.07333 -0.16437 D24 3.06994 -0.00032 -0.06241 0.00000 -0.06238 3.00756 D25 2.98748 -0.00097 -0.13704 0.00000 -0.13707 2.85041 D26 -0.13474 -0.00060 -0.12609 0.00000 -0.12612 -0.26086 D27 -3.13197 0.00015 0.00671 0.00000 0.00671 -3.12526 D28 -0.00760 0.00025 0.00134 0.00000 0.00134 -0.00626 D29 -3.11086 0.00013 -0.02130 0.00000 -0.02130 -3.13216 D30 0.02647 -0.00007 -0.00897 0.00000 -0.00897 0.01750 D31 0.04715 0.00007 -0.01603 0.00000 -0.01603 0.03112 D32 -3.09870 -0.00013 -0.00371 0.00000 -0.00370 -3.10240 D33 3.04640 0.00110 0.05503 0.00000 0.05502 3.10141 D34 -0.06062 -0.00100 0.01730 0.00000 0.01730 -0.04333 D35 -3.13391 0.00122 0.00529 0.00000 0.00529 -3.12862 D36 0.09283 0.00113 -0.02228 0.00000 -0.02229 0.07054 D37 0.04052 -0.00075 -0.03052 0.00000 -0.03053 0.00999 D38 -3.01593 -0.00084 -0.05809 0.00000 -0.05810 -3.07403 D39 -3.10672 -0.00066 -0.02128 0.00000 -0.02129 -3.12801 D40 0.02749 0.00006 -0.01790 0.00000 -0.01790 0.00959 D41 -0.05469 -0.00081 0.00769 0.00000 0.00769 -0.04700 D42 3.07952 -0.00009 0.01107 0.00000 0.01108 3.09060 D43 -0.01438 0.00033 0.01102 0.00000 0.01102 -0.00337 D44 3.13130 0.00052 -0.00087 0.00000 -0.00086 3.13043 D45 3.13514 -0.00046 0.00734 0.00000 0.00734 -3.14071 D46 -0.00237 -0.00027 -0.00454 0.00000 -0.00454 -0.00691 D47 2.74501 0.00001 -0.14680 0.00000 -0.14678 2.59823 D48 -0.40323 -0.00057 -0.17293 0.00000 -0.17294 -0.57616 D49 -0.37791 0.00041 -0.13609 0.00000 -0.13608 -0.51399 D50 2.75704 -0.00017 -0.16222 0.00000 -0.16223 2.59481 D51 3.12628 0.00014 0.01195 0.00000 0.01196 3.13824 D52 0.00562 -0.00045 -0.00951 0.00000 -0.00950 -0.00388 D53 -0.00906 0.00070 0.03703 0.00000 0.03700 0.02794 D54 -3.12972 0.00011 0.01557 0.00000 0.01554 -3.11418 D55 -3.12057 0.00012 -0.00433 0.00000 -0.00428 -3.12485 D56 0.04405 -0.00151 -0.08508 0.00000 -0.08514 -0.04108 D57 0.01421 -0.00047 -0.03104 0.00000 -0.03102 -0.01681 D58 -3.10435 -0.00209 -0.11179 0.00000 -0.11188 3.06695 D59 -0.00215 -0.00039 -0.01509 0.00000 -0.01508 -0.01723 D60 -3.13760 -0.00042 -0.01672 0.00000 -0.01671 3.12887 D61 3.11825 0.00019 0.00666 0.00000 0.00666 3.12491 D62 -0.01720 0.00017 0.00503 0.00000 0.00502 -0.01218 D63 0.00833 -0.00017 -0.01317 0.00000 -0.01318 -0.00484 D64 3.13998 0.00038 0.00739 0.00000 0.00739 -3.13582 D65 -3.13947 -0.00014 -0.01150 0.00000 -0.01150 3.13222 D66 -0.00782 0.00040 0.00906 0.00000 0.00906 0.00124 D67 -0.00317 0.00039 0.01912 0.00000 0.01910 0.01593 D68 3.12152 0.00104 0.04581 0.00000 0.04578 -3.11589 D69 -3.13488 -0.00015 -0.00137 0.00000 -0.00137 -3.13626 D70 -0.01019 0.00050 0.02532 0.00000 0.02530 0.01512 D71 -0.00819 -0.00007 0.00316 0.00000 0.00318 -0.00501 D72 3.11116 0.00147 0.08212 0.00000 0.08205 -3.08997 D73 -3.13287 -0.00072 -0.02351 0.00000 -0.02349 3.12683 D74 -0.01352 0.00081 0.05545 0.00000 0.05538 0.04186 Item Value Threshold Converged? Maximum Force 0.010236 0.000450 NO RMS Force 0.002135 0.000300 NO Maximum Displacement 0.644275 0.001800 NO RMS Displacement 0.144045 0.001200 NO Predicted change in Energy=-1.513834D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.523572 -6.571408 1.351184 2 6 0 7.856540 -6.776973 2.048917 3 8 0 5.549836 -7.444318 1.846518 4 7 0 4.702531 -1.389308 2.036571 5 6 0 5.168770 -2.664693 1.848270 6 7 0 6.134864 -2.908394 1.042221 7 6 0 6.595550 -4.176068 0.832051 8 8 0 7.467861 -4.447783 0.058693 9 7 0 6.005778 -5.212834 1.575593 10 6 0 4.969131 -4.969527 2.400864 11 6 0 4.506368 -3.722567 2.575962 12 1 0 6.627057 -6.683824 0.283145 13 1 0 8.590549 -6.074346 1.683343 14 1 0 8.217986 -7.782173 1.850967 15 1 0 3.963618 -1.306666 2.694736 16 6 0 5.200991 -0.184519 1.544184 17 1 0 4.543254 -5.815404 2.895493 18 35 0 3.035225 -3.418626 3.730040 19 1 0 7.735248 -6.660085 3.120256 20 1 0 5.820760 -8.338909 1.691566 21 8 0 6.239982 -0.065266 0.986121 22 6 0 4.310684 0.995954 1.818950 23 6 0 4.933262 2.225624 1.993913 24 6 0 4.182221 3.360279 2.246426 25 6 0 2.800588 3.277730 2.305699 26 6 0 2.170419 2.059219 2.106266 27 6 0 2.921279 0.921769 1.866760 28 1 0 6.003446 2.279630 1.930459 29 1 0 4.675330 4.304651 2.391855 30 1 0 2.214320 4.159063 2.496520 31 1 0 1.097279 1.997265 2.128340 32 1 0 2.410698 -0.003493 1.667115 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518516 0.000000 3 O 1.398388 2.409813 0.000000 4 N 5.535351 6.242985 6.116959 0.000000 5 C 4.164734 4.916829 4.794792 1.370928 0.000000 6 N 3.696516 4.352414 4.643680 2.312560 1.281578 7 C 2.452006 3.136170 3.578284 3.577768 2.313581 8 O 2.659323 3.088234 3.981754 4.573109 3.415818 9 N 1.471120 2.468985 2.293645 4.065747 2.695915 10 C 2.466605 3.424596 2.601751 3.608566 2.378545 11 C 3.699337 4.564080 3.933490 2.402814 1.444787 12 H 1.078913 2.153661 2.045212 5.900017 4.552980 13 H 2.151695 1.079860 3.339069 6.098445 4.833374 14 H 2.141675 1.086395 2.689459 7.298054 5.957040 15 H 6.006330 6.745085 6.395805 0.992976 2.003280 16 C 6.525245 7.125107 7.274461 1.393709 2.498954 17 H 2.622612 3.552347 2.183327 4.511479 3.378598 18 Br 5.269493 6.111444 5.106576 3.125041 2.943042 19 H 2.146074 1.084501 2.648293 6.176798 4.916087 20 H 1.932321 2.590703 0.947472 7.047440 5.713701 21 O 6.522544 6.984970 7.461031 2.284795 2.940716 22 C 7.898142 8.546600 8.530794 2.427010 3.759988 23 C 8.962698 9.465481 9.690700 3.622539 4.898150 24 C 10.243134 10.784410 10.898148 4.782608 6.118178 25 C 10.572475 11.257248 11.078426 5.046886 6.413261 26 C 9.695763 10.507785 10.089854 4.278877 5.601073 27 C 8.330069 9.146618 8.769330 2.922802 4.232525 28 H 8.885211 9.245002 9.734885 3.894195 5.014955 29 H 11.080960 11.534301 11.794085 5.705098 7.007905 30 H 11.620002 12.313889 12.090766 6.098128 7.464091 31 H 10.172059 11.076153 10.442613 4.947236 6.195912 32 H 7.755840 8.699597 8.077886 2.703605 3.836895 6 7 8 9 10 6 N 0.000000 7 C 1.365065 0.000000 8 O 2.261400 1.197012 0.000000 9 N 2.368880 1.405549 2.241422 0.000000 10 C 2.730040 2.394993 3.464338 1.347186 0.000000 11 C 2.380596 2.758907 3.953862 2.338774 1.341536 12 H 3.882309 2.567319 2.399418 2.054318 3.189399 13 H 4.057669 2.882391 2.558442 2.726693 3.853587 14 H 5.361640 4.083439 3.859156 3.401646 4.332254 15 H 3.163960 4.316263 5.393983 4.547641 3.809720 16 C 2.922941 4.287703 5.051812 5.092408 4.866618 17 H 3.797177 3.340230 4.297808 2.060147 1.068427 18 Br 4.134305 4.652739 5.846898 4.084729 2.812827 19 H 4.577624 3.564426 3.786680 2.733420 3.320679 20 H 5.478212 4.320684 4.529909 3.133693 3.546986 21 O 2.845623 4.129026 4.644811 5.186499 5.260070 22 C 4.378912 5.739721 6.534565 6.440622 6.029854 23 C 5.357957 6.715265 7.396190 7.527013 7.206739 24 C 6.675267 8.038728 8.749140 8.790543 8.368318 25 C 7.140161 8.493085 9.301399 9.104722 8.528123 26 C 6.444083 7.751401 8.636928 8.238589 7.571186 27 C 5.067262 6.368582 7.264476 6.872574 6.259899 28 H 5.265153 6.575191 7.134852 7.500863 7.337668 29 H 7.481963 8.834186 9.478765 9.644630 9.278835 30 H 8.211857 9.562429 10.374030 10.151636 9.535685 31 H 7.114943 8.367879 9.295504 8.739818 7.975067 32 H 4.764279 5.968308 6.921967 6.330103 5.634311 11 12 13 14 15 11 C 0.000000 12 H 4.303879 0.000000 13 H 4.796683 2.487431 0.000000 14 H 5.548164 2.489074 1.756010 0.000000 15 H 2.478963 6.467109 6.720280 7.793829 0.000000 16 C 3.750313 6.772360 6.796950 8.180508 2.028319 17 H 2.117411 3.452644 4.232842 4.296844 4.550274 18 Br 1.894344 5.953475 6.488717 7.030823 2.528665 19 H 4.398970 3.045956 1.771821 1.761593 6.562419 20 H 4.880615 2.317989 3.577715 2.466183 7.342190 21 O 4.348431 6.667031 6.490017 8.013183 3.105200 22 C 4.782865 8.167207 8.265880 9.608514 2.487874 23 C 5.991827 9.228972 9.075335 10.534032 3.729402 24 C 7.097913 10.522153 10.428930 11.857404 4.693522 25 C 7.210193 10.861176 11.016910 12.323815 4.745596 26 C 6.253505 9.981293 10.370719 11.553841 3.858892 27 C 4.958360 8.607304 9.006658 10.188914 2.595755 28 H 6.219669 9.134881 8.748891 10.302931 4.196015 29 H 8.031107 11.357926 11.115508 12.606914 5.664376 30 H 8.208525 11.913835 12.084710 13.381100 5.742258 31 H 6.673734 10.456792 11.022614 12.100364 4.410518 32 H 4.364555 8.019967 8.662914 9.709081 2.272846 16 17 18 19 20 16 C 0.000000 17 H 5.827995 0.000000 18 Br 4.464075 2.952146 0.000000 19 H 7.130176 3.309506 5.741873 0.000000 20 H 8.179237 3.074010 6.010305 2.919738 0.000000 21 O 1.185393 6.291953 5.389303 7.090979 8.314238 22 C 1.503881 6.899828 4.976704 8.487400 9.457073 23 C 2.466317 8.100807 6.202761 9.384860 10.606056 24 C 3.754548 9.205694 7.033511 10.667487 11.826398 25 C 4.281239 9.277383 6.850182 11.125400 12.018523 26 C 3.812436 8.262138 5.778523 10.393352 11.028057 27 C 2.554411 7.005612 4.724810 9.068079 9.705558 28 H 2.620147 8.282091 6.672253 9.183315 10.622797 29 H 4.598642 10.133441 8.008103 11.406976 12.714639 30 H 5.356664 10.250517 7.721194 12.162387 13.032792 31 H 4.684215 8.573276 5.971009 10.954279 11.372710 32 H 2.798860 6.311499 4.038419 8.647119 9.006014 21 22 23 24 25 21 O 0.000000 22 C 2.354141 0.000000 23 C 2.823356 1.389354 0.000000 24 C 4.190121 2.406091 1.383932 0.000000 25 C 4.974569 2.779176 2.398424 1.385365 0.000000 26 C 4.725410 2.407035 2.770129 2.399948 1.386237 27 C 3.572611 1.392205 2.400891 2.771363 2.399538 28 H 2.538949 2.127370 1.073423 2.141144 3.375694 29 H 4.849784 3.377672 2.132426 1.075242 2.139310 30 H 6.027621 3.854751 3.373936 2.138513 1.075579 31 H 5.657393 3.379988 3.845125 3.374703 2.138296 32 H 3.889856 2.152184 3.382172 3.845629 3.365446 26 27 28 29 30 26 C 0.000000 27 C 1.383816 0.000000 28 H 3.843382 3.368620 0.000000 29 H 3.376108 3.846597 2.465256 0.000000 30 H 2.136251 3.372900 4.267338 2.467534 0.000000 31 H 1.075154 2.133563 4.918269 4.265668 2.461038 32 H 2.122586 1.075482 4.264955 4.920764 4.248923 31 32 31 H 0.000000 32 H 2.437382 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.524364 -0.650707 -0.278930 2 6 0 -5.100598 -1.246414 0.993460 3 8 0 -5.037591 0.627491 -0.520378 4 7 0 0.988903 -0.264839 0.029441 5 6 0 -0.374272 -0.384905 -0.052893 6 7 0 -0.932967 -1.524607 -0.230044 7 6 0 -2.287959 -1.654681 -0.332412 8 8 0 -2.843341 -2.695059 -0.537358 9 7 0 -3.064878 -0.492944 -0.182980 10 6 0 -2.484228 0.712801 -0.028273 11 6 0 -1.149668 0.830559 0.041014 12 1 0 -4.704452 -1.298381 -1.122815 13 1 0 -4.670974 -2.217801 1.188215 14 1 0 -6.175073 -1.364053 0.884285 15 1 0 1.319142 0.658634 0.184819 16 6 0 1.963350 -1.260740 0.062025 17 1 0 -3.139373 1.554713 0.030935 18 35 0 -0.365640 2.543454 0.240591 19 1 0 -4.910680 -0.584195 1.831039 20 1 0 -5.977484 0.574359 -0.627527 21 8 0 1.737252 -2.418286 0.180859 22 6 0 3.369334 -0.734595 -0.027647 23 6 0 4.355403 -1.461002 0.628329 24 6 0 5.674332 -1.043656 0.589392 25 6 0 6.020792 0.092717 -0.123250 26 6 0 5.046710 0.808308 -0.802035 27 6 0 3.725683 0.399148 -0.752821 28 1 0 4.076911 -2.348303 1.164404 29 1 0 6.427470 -1.607053 1.110461 30 1 0 7.045940 0.416184 -0.159472 31 1 0 5.316938 1.676949 -1.375093 32 1 0 2.993963 0.940631 -1.325571 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5059591 0.1429788 0.1148368 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.8009278469 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= 339 RedAO= T EigKep= 4.34D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Lowest energy guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999997 -0.002467 0.000029 0.000090 Ang= -0.28 deg. B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999941 0.010830 -0.000098 -0.000506 Ang= 1.24 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) = -3457.12213935 A.U. after 10 cycles NFock= 10 Conv=0.68D-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 -0.001019046 -0.000410580 0.001908139 2 6 0.000265231 -0.000710265 -0.000042508 3 8 -0.000477163 0.001144727 -0.000868212 4 7 -0.000392913 -0.001081059 0.000846643 5 6 -0.000101117 -0.000148108 -0.000027773 6 7 0.000060420 0.000303364 -0.000832675 7 6 -0.000822194 0.000754165 -0.000370033 8 8 0.000198149 0.000056962 0.000615263 9 7 -0.001156607 -0.000678859 -0.001684933 10 6 0.001583127 -0.000136243 0.000443197 11 6 -0.000272137 -0.000492850 0.000767888 12 1 0.000610935 0.000345664 -0.000044373 13 1 0.000206131 0.000185848 0.000003450 14 1 0.000461888 -0.000146413 0.000091213 15 1 -0.001827830 0.001044492 -0.000605436 16 6 0.000308575 0.001432181 -0.002108887 17 1 -0.000179536 -0.000061699 0.000105471 18 35 0.000258621 -0.000131754 0.000143908 19 1 0.000039461 0.000134358 0.000002187 20 1 0.000184633 0.000332677 -0.000114892 21 8 0.000360016 -0.000589716 0.000580514 22 6 -0.000461272 -0.000094173 0.000448060 23 6 0.000162398 0.001141056 0.000686140 24 6 0.001393907 -0.000304178 -0.000112657 25 6 -0.001326601 -0.000699993 0.000029309 26 6 0.000011915 0.001904812 0.000212964 27 6 0.000866128 -0.001677312 -0.001606719 28 1 -0.000129147 0.000104719 0.000007881 29 1 -0.000338271 -0.000124175 -0.000034020 30 1 0.000310643 -0.000097371 -0.000014909 31 1 0.000217124 -0.000185353 -0.000079820 32 1 0.001004531 -0.001114926 0.001655619 ------------------------------------------------------------------- Cartesian Forces: Max 0.002108887 RMS 0.000761599 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003906191 RMS 0.000765567 Search for a local minimum. Step number 26 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 22 26 ITU= 0 0 -1 -1 0 0 0 0 0 0 -1 0 1 1 1 1 1 1 1 1 ITU= -1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00235 0.00289 0.00470 0.01252 0.01332 Eigenvalues --- 0.01410 0.01530 0.01629 0.01709 0.01774 Eigenvalues --- 0.01865 0.01911 0.02003 0.02102 0.02106 Eigenvalues --- 0.02117 0.02135 0.02137 0.02315 0.02535 Eigenvalues --- 0.02543 0.02603 0.02643 0.04414 0.05492 Eigenvalues --- 0.05696 0.05900 0.06305 0.06874 0.08730 Eigenvalues --- 0.12651 0.15529 0.15675 0.15831 0.15957 Eigenvalues --- 0.15997 0.16004 0.16013 0.16048 0.16168 Eigenvalues --- 0.16329 0.17967 0.19078 0.21351 0.21753 Eigenvalues --- 0.22011 0.22293 0.23132 0.23447 0.24225 Eigenvalues --- 0.24355 0.24976 0.25124 0.25348 0.25553 Eigenvalues --- 0.27492 0.29319 0.30722 0.31306 0.33455 Eigenvalues --- 0.33731 0.33789 0.34079 0.34474 0.35091 Eigenvalues --- 0.35374 0.38303 0.38338 0.38420 0.38434 Eigenvalues --- 0.38494 0.38773 0.39584 0.40347 0.41133 Eigenvalues --- 0.42650 0.44071 0.45334 0.47322 0.48906 Eigenvalues --- 0.50686 0.51327 0.55145 0.55978 0.56106 Eigenvalues --- 0.57950 0.64663 0.73051 0.87644 0.88999 RFO step: Lambda=-1.12152816D-03 EMin= 2.34794891D-03 Quartic linear search produced a step of 0.02277. Iteration 1 RMS(Cart)= 0.08946624 RMS(Int)= 0.00272481 Iteration 2 RMS(Cart)= 0.00427861 RMS(Int)= 0.00005881 Iteration 3 RMS(Cart)= 0.00000639 RMS(Int)= 0.00005867 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00005867 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.86958 0.00095 -0.00000 0.00317 0.00317 2.87275 R2 2.64257 -0.00107 0.00000 -0.00256 -0.00256 2.64001 R3 2.78001 -0.00086 -0.00003 -0.00400 -0.00402 2.77599 R4 2.03885 0.00007 0.00003 -0.00154 -0.00151 2.03734 R5 2.04064 0.00026 -0.00001 0.00218 0.00217 2.04281 R6 2.05299 0.00027 0.00001 0.00022 0.00023 2.05322 R7 2.04941 0.00001 0.00001 0.00020 0.00021 2.04962 R8 1.79046 -0.00024 0.00002 -0.00080 -0.00079 1.78968 R9 2.59068 -0.00038 0.00003 -0.00202 -0.00199 2.58869 R10 1.87645 0.00105 -0.00001 0.00027 0.00026 1.87672 R11 2.63373 0.00071 -0.00005 0.00502 0.00497 2.63870 R12 2.42183 0.00001 -0.00000 0.00036 0.00036 2.42219 R13 2.73025 0.00062 -0.00000 0.00164 0.00167 2.73192 R14 2.57960 -0.00075 0.00000 -0.00161 -0.00164 2.57796 R15 2.26203 -0.00027 0.00002 -0.00112 -0.00110 2.26092 R16 2.65610 -0.00002 -0.00001 0.00098 0.00093 2.65703 R17 2.54581 -0.00054 -0.00001 -0.00110 -0.00112 2.54469 R18 2.53514 -0.00005 0.00001 -0.00065 -0.00061 2.53452 R19 2.01903 0.00017 0.00000 0.00099 0.00099 2.02002 R20 3.57979 -0.00013 0.00010 -0.00423 -0.00414 3.57565 R21 2.24007 -0.00002 0.00002 -0.00110 -0.00108 2.23899 R22 2.84192 -0.00170 0.00002 -0.00213 -0.00211 2.83982 R23 2.62550 0.00070 -0.00002 0.00432 0.00430 2.62980 R24 2.63089 -0.00189 0.00004 -0.00482 -0.00477 2.62611 R25 2.61525 -0.00062 0.00003 -0.00456 -0.00454 2.61071 R26 2.02848 -0.00012 -0.00001 -0.00050 -0.00051 2.02797 R27 2.61796 0.00092 -0.00004 0.00477 0.00473 2.62269 R28 2.03191 -0.00027 -0.00001 -0.00063 -0.00064 2.03128 R29 2.61961 -0.00058 0.00002 -0.00480 -0.00478 2.61483 R30 2.03255 -0.00025 -0.00001 -0.00055 -0.00056 2.03199 R31 2.61503 0.00088 -0.00004 0.00483 0.00480 2.61983 R32 2.03175 -0.00021 -0.00001 -0.00039 -0.00040 2.03135 R33 2.03237 0.00017 -0.00001 -0.00057 -0.00058 2.03179 A1 1.94334 0.00087 -0.00003 0.00816 0.00812 1.95146 A2 1.94324 0.00084 0.00005 0.00208 0.00211 1.94534 A3 1.93537 -0.00053 0.00005 -0.00663 -0.00658 1.92879 A4 1.85183 -0.00117 -0.00016 0.00067 0.00048 1.85231 A5 1.93093 0.00004 0.00004 0.00097 0.00102 1.93195 A6 1.85562 -0.00010 0.00006 -0.00551 -0.00547 1.85015 A7 1.93161 -0.00003 0.00004 -0.00543 -0.00539 1.92622 A8 1.91090 0.00062 -0.00006 0.00872 0.00865 1.91954 A9 1.91893 -0.00009 -0.00004 0.00389 0.00383 1.92276 A10 1.89041 -0.00026 0.00001 -0.00183 -0.00180 1.88861 A11 1.91806 -0.00009 0.00004 -0.00469 -0.00465 1.91341 A12 1.89329 -0.00015 0.00001 -0.00059 -0.00063 1.89266 A13 1.90959 -0.00056 -0.00003 -0.00042 -0.00045 1.90914 A14 2.00594 0.00192 -0.00003 0.00722 0.00713 2.01307 A15 2.25757 -0.00172 0.00000 -0.00529 -0.00536 2.25221 A16 2.01348 -0.00016 0.00005 0.00032 0.00030 2.01378 A17 2.11725 -0.00201 0.00002 -0.00509 -0.00502 2.11224 A18 2.04437 0.00170 -0.00002 0.00334 0.00337 2.04773 A19 2.12136 0.00031 -0.00000 0.00183 0.00172 2.12308 A20 2.12684 -0.00023 -0.00001 0.00011 -0.00014 2.12670 A21 2.16061 0.00003 -0.00001 0.00070 0.00079 2.16140 A22 2.05098 0.00012 0.00000 0.00005 -0.00014 2.05084 A23 2.07159 -0.00016 0.00001 -0.00076 -0.00066 2.07093 A24 2.04071 0.00069 -0.00001 0.00832 0.00814 2.04885 A25 2.13066 -0.00090 -0.00001 -0.00787 -0.00805 2.12261 A26 2.11032 0.00023 0.00001 0.00170 0.00129 2.11160 A27 2.10978 0.00010 -0.00001 0.00149 0.00137 2.11115 A28 2.03458 0.00008 -0.00003 0.00181 0.00182 2.03640 A29 2.13882 -0.00018 0.00005 -0.00330 -0.00321 2.13561 A30 2.04507 -0.00051 0.00001 -0.00215 -0.00222 2.04285 A31 2.14769 0.00052 0.00002 -0.00077 -0.00072 2.14697 A32 2.09040 -0.00001 -0.00002 0.00291 0.00292 2.09332 A33 2.17337 0.00091 -0.00002 -0.00100 -0.00102 2.17235 A34 1.98479 -0.00333 0.00007 -0.00386 -0.00378 1.98101 A35 2.12461 0.00241 -0.00005 0.00481 0.00476 2.12937 A36 2.04032 0.00275 -0.00004 0.00388 0.00383 2.04415 A37 2.15948 -0.00391 0.00006 -0.00561 -0.00556 2.15392 A38 2.08293 0.00116 -0.00002 0.00183 0.00182 2.08476 A39 2.10069 -0.00071 0.00002 -0.00169 -0.00168 2.09901 A40 2.07583 0.00046 0.00001 -0.00079 -0.00078 2.07505 A41 2.10666 0.00024 -0.00003 0.00249 0.00246 2.10912 A42 2.09460 -0.00009 -0.00001 0.00047 0.00046 2.09506 A43 2.08966 0.00029 -0.00001 0.00287 0.00286 2.09252 A44 2.09892 -0.00020 0.00002 -0.00334 -0.00332 2.09560 A45 2.09392 0.00019 -0.00001 0.00079 0.00079 2.09471 A46 2.09713 -0.00030 0.00001 -0.00279 -0.00278 2.09435 A47 2.09209 0.00011 -0.00001 0.00203 0.00202 2.09410 A48 2.09526 -0.00011 0.00001 -0.00086 -0.00083 2.09444 A49 2.09605 0.00027 -0.00002 0.00299 0.00296 2.09901 A50 2.09183 -0.00016 0.00000 -0.00209 -0.00210 2.08972 A51 2.09862 -0.00044 0.00000 -0.00038 -0.00042 2.09820 A52 2.10977 -0.00097 0.00005 -0.00036 -0.00038 2.10939 A53 2.07338 0.00144 -0.00004 0.00176 0.00164 2.07502 D1 -3.10634 0.00031 0.00007 -0.00154 -0.00149 -3.10783 D2 1.09425 0.00025 0.00007 -0.00143 -0.00136 1.09288 D3 -0.98413 0.00011 0.00012 -0.00841 -0.00831 -0.99244 D4 -1.04357 -0.00006 -0.00012 0.00598 0.00586 -1.03771 D5 -3.12617 -0.00011 -0.00012 0.00609 0.00599 -3.12019 D6 1.07864 -0.00025 -0.00007 -0.00089 -0.00096 1.07768 D7 1.01876 0.00001 0.00001 -0.00387 -0.00386 1.01491 D8 -1.06384 -0.00004 0.00001 -0.00376 -0.00373 -1.06757 D9 3.14098 -0.00018 0.00006 -0.01074 -0.01068 3.13030 D10 -1.06627 0.00026 -0.00003 0.00087 0.00084 -1.06543 D11 3.09991 -0.00052 0.00003 -0.00679 -0.00677 3.09315 D12 1.09434 0.00022 0.00004 -0.00115 -0.00110 1.09324 D13 1.33974 0.00005 -0.00069 0.07016 0.06949 1.40924 D14 -1.86014 0.00035 -0.00080 0.11196 0.11115 -1.74899 D15 -2.82637 0.00084 -0.00080 0.08172 0.08093 -2.74544 D16 0.25693 0.00115 -0.00091 0.12352 0.12259 0.37952 D17 -0.77002 0.00028 -0.00081 0.08051 0.07971 -0.69030 D18 2.31328 0.00058 -0.00092 0.12231 0.12137 2.43466 D19 -3.12200 -0.00069 -0.00023 -0.03343 -0.03368 3.12751 D20 0.04123 -0.00082 -0.00025 -0.03757 -0.03784 0.00339 D21 -0.10678 -0.00023 0.00002 -0.01045 -0.01041 -0.11718 D22 3.05645 -0.00036 0.00000 -0.01459 -0.01457 3.04188 D23 -0.16437 -0.00002 0.00029 0.00167 0.00197 -0.16239 D24 3.00756 -0.00004 0.00024 0.00319 0.00345 3.01101 D25 2.85041 0.00056 0.00053 0.02514 0.02566 2.87606 D26 -0.26086 0.00054 0.00049 0.02666 0.02713 -0.23372 D27 -3.12526 -0.00005 -0.00003 -0.00497 -0.00500 -3.13026 D28 -0.00626 0.00010 -0.00001 -0.00063 -0.00065 -0.00691 D29 -3.13216 -0.00008 0.00008 -0.01914 -0.01908 3.13195 D30 0.01750 -0.00020 0.00004 -0.01711 -0.01706 0.00045 D31 0.03112 -0.00018 0.00006 -0.02321 -0.02317 0.00795 D32 -3.10240 -0.00030 0.00001 -0.02117 -0.02115 -3.12356 D33 3.10141 0.00039 -0.00021 0.04182 0.04168 -3.14010 D34 -0.04333 0.00012 -0.00007 0.03751 0.03747 -0.00586 D35 -3.12862 0.00002 -0.00002 -0.01151 -0.01135 -3.13996 D36 0.07054 -0.00024 0.00009 -0.05244 -0.05239 0.01815 D37 0.00999 -0.00024 0.00012 -0.01559 -0.01533 -0.00533 D38 -3.07403 -0.00050 0.00023 -0.05652 -0.05637 -3.13040 D39 -3.12801 -0.00016 0.00008 -0.01397 -0.01373 3.14145 D40 0.00959 -0.00013 0.00007 -0.01689 -0.01670 -0.00711 D41 -0.04700 0.00017 -0.00003 0.02966 0.02962 -0.01737 D42 3.09060 0.00020 -0.00004 0.02674 0.02666 3.11725 D43 -0.00337 0.00005 -0.00004 0.00779 0.00778 0.00441 D44 3.13043 0.00016 0.00000 0.00581 0.00581 3.13624 D45 -3.14071 0.00001 -0.00003 0.01087 0.01090 -3.12981 D46 -0.00691 0.00013 0.00002 0.00889 0.00893 0.00202 D47 2.59823 0.00073 0.00057 0.08794 0.08852 2.68674 D48 -0.57616 0.00099 0.00067 0.09175 0.09242 -0.48374 D49 -0.51399 0.00073 0.00053 0.08953 0.09006 -0.42393 D50 2.59481 0.00099 0.00063 0.09333 0.09396 2.68877 D51 3.13824 -0.00013 -0.00005 -0.00364 -0.00368 3.13457 D52 -0.00388 0.00004 0.00004 -0.00149 -0.00144 -0.00533 D53 0.02794 -0.00028 -0.00014 -0.00712 -0.00727 0.02068 D54 -3.11418 -0.00011 -0.00006 -0.00497 -0.00504 -3.11922 D55 -3.12485 -0.00002 0.00002 0.00196 0.00198 -3.12286 D56 -0.04108 0.00079 0.00033 0.02285 0.02318 -0.01790 D57 -0.01681 0.00027 0.00012 0.00588 0.00600 -0.01081 D58 3.06695 0.00109 0.00043 0.02678 0.02720 3.09416 D59 -0.01723 0.00011 0.00006 0.00300 0.00306 -0.01416 D60 3.12887 0.00012 0.00007 0.00279 0.00285 3.13173 D61 3.12491 -0.00006 -0.00003 0.00082 0.00079 3.12570 D62 -0.01218 -0.00005 -0.00002 0.00060 0.00058 -0.01160 D63 -0.00484 0.00010 0.00005 0.00245 0.00249 -0.00235 D64 -3.13582 -0.00006 -0.00003 -0.00075 -0.00078 -3.13660 D65 3.13222 0.00009 0.00004 0.00268 0.00272 3.13494 D66 0.00124 -0.00007 -0.00004 -0.00052 -0.00056 0.00069 D67 0.01593 -0.00010 -0.00007 -0.00366 -0.00373 0.01219 D68 -3.11589 -0.00029 -0.00018 -0.00773 -0.00792 -3.12381 D69 -3.13626 0.00005 0.00001 -0.00050 -0.00049 -3.13674 D70 0.01512 -0.00014 -0.00010 -0.00457 -0.00467 0.01044 D71 -0.00501 -0.00009 -0.00001 -0.00054 -0.00054 -0.00555 D72 -3.08997 -0.00081 -0.00032 -0.02093 -0.02126 -3.11123 D73 3.12683 0.00011 0.00009 0.00356 0.00365 3.13048 D74 0.04186 -0.00061 -0.00022 -0.01684 -0.01707 0.02480 Item Value Threshold Converged? Maximum Force 0.003906 0.000450 NO RMS Force 0.000766 0.000300 NO Maximum Displacement 0.374374 0.001800 NO RMS Displacement 0.090209 0.001200 NO Predicted change in Energy=-6.249240D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.536028 -6.555918 1.317322 2 6 0 7.796926 -6.813748 2.126425 3 8 0 5.504173 -7.428314 1.672141 4 7 0 4.709036 -1.385296 2.040645 5 6 0 5.182584 -2.656796 1.851985 6 7 0 6.152740 -2.887697 1.046741 7 6 0 6.629050 -4.148590 0.836232 8 8 0 7.532576 -4.404331 0.094830 9 7 0 6.019787 -5.199487 1.544306 10 6 0 4.990899 -4.966618 2.381252 11 6 0 4.530168 -3.722620 2.578848 12 1 0 6.744528 -6.621848 0.261616 13 1 0 8.567875 -6.105289 1.857529 14 1 0 8.169664 -7.814126 1.924366 15 1 0 3.947785 -1.304755 2.673329 16 6 0 5.214973 -0.177388 1.556129 17 1 0 4.564747 -5.818410 2.866534 18 35 0 3.077097 -3.429459 3.754811 19 1 0 7.583383 -6.734860 3.186876 20 1 0 5.774113 -8.320057 1.502314 21 8 0 6.259956 -0.058839 1.010453 22 6 0 4.320537 0.999169 1.828167 23 6 0 4.924699 2.250250 1.908246 24 6 0 4.162623 3.377451 2.147590 25 6 0 2.786707 3.267914 2.292610 26 6 0 2.176725 2.029769 2.194792 27 6 0 2.941570 0.896288 1.966285 28 1 0 5.987703 2.321894 1.779596 29 1 0 4.636624 4.339678 2.217325 30 1 0 2.193663 4.146274 2.474301 31 1 0 1.109585 1.942511 2.290180 32 1 0 2.446477 -0.052750 1.865225 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520193 0.000000 3 O 1.397032 2.416771 0.000000 4 N 5.531404 6.245840 6.106235 0.000000 5 C 4.161830 4.918368 4.785723 1.369874 0.000000 6 N 3.698104 4.391235 4.629144 2.308535 1.281770 7 C 2.456691 3.183017 3.566607 3.573914 2.312891 8 O 2.667756 3.162681 3.968224 4.568715 3.415250 9 N 1.468991 2.470410 2.291260 4.063554 2.694596 10 C 2.458708 3.369067 2.612707 3.608507 2.377423 11 C 3.693575 4.520117 3.937381 2.405149 1.445668 12 H 1.078116 2.149856 2.044126 5.893187 4.548690 13 H 2.150185 1.081010 3.342310 6.099386 4.832424 14 H 2.149501 1.086517 2.705053 7.302009 5.960364 15 H 6.009366 6.742700 6.397086 0.993116 2.006827 16 C 6.518271 7.143738 7.257618 1.396341 2.497207 17 H 2.613412 3.461999 2.213794 4.511698 3.377401 18 Br 5.261208 6.031736 5.120454 3.127330 2.941229 19 H 2.150396 1.084610 2.664285 6.180094 4.916947 20 H 1.930524 2.598125 0.947055 7.036697 5.704796 21 O 6.510178 7.016870 7.437621 2.286075 2.935692 22 C 7.889785 8.556630 8.511628 2.425232 3.756298 23 C 8.971855 9.510697 9.698770 3.644343 4.914141 24 C 10.246669 10.819849 10.899099 4.795181 6.126977 25 C 10.560127 11.259211 11.053457 5.040952 6.405980 26 C 9.668893 10.478508 10.039941 4.254295 5.578226 27 C 8.299196 9.112890 8.715070 2.887055 4.202334 28 H 8.906734 9.319524 9.762782 3.930190 5.043889 29 H 11.096476 11.592873 11.812515 5.728158 7.027247 30 H 11.607397 12.314206 12.065406 6.092079 7.456722 31 H 10.129957 11.019048 10.368546 4.908422 6.159137 32 H 7.701677 8.625927 7.986597 2.631658 3.777237 6 7 8 9 10 6 N 0.000000 7 C 1.364198 0.000000 8 O 2.260589 1.196429 0.000000 9 N 2.368464 1.406042 2.240934 0.000000 10 C 2.729964 2.395786 3.464681 1.346594 0.000000 11 C 2.382685 2.761062 3.955949 2.338883 1.341211 12 H 3.861414 2.541756 2.359284 2.047842 3.210586 13 H 4.104041 2.937816 2.659362 2.722378 3.790200 14 H 5.395175 4.122339 3.921707 3.406282 4.292039 15 H 3.164383 4.318739 5.395069 4.553770 3.818722 16 C 2.912843 4.276483 5.037234 5.086191 4.864952 17 H 3.797690 3.342419 4.299997 2.061187 1.068950 18 Br 4.133609 4.653130 5.847832 4.083963 2.812856 19 H 4.628994 3.622854 3.872299 2.738656 3.239859 20 H 5.464562 4.309955 4.517312 3.130507 3.554084 21 O 2.831122 4.110067 4.619657 5.173871 5.251275 22 C 4.367530 5.728227 6.520695 6.433612 6.028756 23 C 5.352455 6.708143 7.373802 7.538584 7.232655 24 C 6.665171 8.027715 8.725053 8.796412 8.388332 25 C 7.125582 8.478748 9.285304 9.094484 8.524895 26 C 6.427144 7.735696 8.630911 8.213062 7.543459 27 C 5.047347 6.350222 7.257840 6.841926 6.224597 28 H 5.263473 6.570268 7.104025 7.525128 7.380922 29 H 7.476886 8.827677 9.452472 9.662389 9.314480 30 H 8.196888 9.547811 10.357545 10.141369 9.532994 31 H 7.092987 8.347453 9.292835 8.699111 7.925210 32 H 4.737428 5.943791 6.923797 6.273789 5.557559 11 12 13 14 15 11 C 0.000000 12 H 4.321860 0.000000 13 H 4.743468 2.477573 0.000000 14 H 5.514952 2.493447 1.755894 0.000000 15 H 2.488809 6.473764 6.712369 7.794686 0.000000 16 C 3.752810 6.748805 6.817096 8.196680 2.030974 17 H 2.115725 3.490352 4.138287 4.226818 4.559721 18 Br 1.892155 5.986970 6.395967 6.964918 2.538123 19 H 4.331906 3.045258 1.769958 1.761384 6.554949 20 H 4.882904 2.316236 3.582804 2.484504 7.343107 21 O 4.344574 6.623342 6.527142 8.039073 3.108633 22 C 4.785683 8.149216 8.277322 9.617651 2.482198 23 C 6.023334 9.205287 9.115390 10.574580 3.765339 24 C 7.122646 10.498053 10.460054 11.889390 4.716525 25 C 7.210351 10.844201 11.021258 12.325723 4.733112 26 C 6.227052 9.972586 10.350831 11.527824 3.805877 27 C 4.922722 8.595973 8.982717 10.159037 2.521303 28 H 6.268920 9.103163 8.813669 10.369224 4.255891 29 H 8.071102 11.332393 11.166088 12.660299 5.704565 30 H 8.209122 11.897849 12.087412 13.381562 5.729771 31 H 6.624004 10.450641 10.980909 12.048672 4.329771 32 H 4.280067 8.012356 8.608415 9.643512 2.115295 16 17 18 19 20 16 C 0.000000 17 H 5.827614 0.000000 18 Br 4.469975 2.951140 0.000000 19 H 7.160247 3.170908 5.617370 0.000000 20 H 8.162021 3.095464 6.022092 2.936674 0.000000 21 O 1.184823 6.284221 5.387316 7.145456 8.290096 22 C 1.502766 6.900524 4.987068 8.503379 9.437533 23 C 2.470157 8.133337 6.251602 9.457045 10.612148 24 C 3.754217 9.232684 7.077821 10.725696 11.825606 25 C 4.278900 9.276428 6.861280 11.129389 11.992925 26 C 3.809250 8.230905 5.748695 10.345767 10.979054 27 C 2.547423 6.966514 4.682870 9.015025 9.652957 28 H 2.625540 8.334914 6.741747 9.303302 10.647705 29 H 4.601691 10.179067 8.071894 11.500818 12.730830 30 H 5.354009 10.250406 7.733815 12.163714 13.006683 31 H 4.678356 8.514824 5.905447 10.863282 11.300392 32 H 2.788484 6.223546 3.920507 8.531422 8.919262 21 22 23 24 25 21 O 0.000000 22 C 2.355713 0.000000 23 C 2.814398 1.391628 0.000000 24 C 4.183297 2.404827 1.381530 0.000000 25 C 4.977416 2.777687 2.398830 1.387867 0.000000 26 C 4.736847 2.406757 2.771658 2.400473 1.383709 27 C 3.582955 1.389680 2.401954 2.771284 2.398976 28 H 2.516663 2.128709 1.073154 2.140218 3.377056 29 H 4.841353 3.377922 2.131719 1.074905 2.139284 30 H 6.029972 3.852967 3.372519 2.138839 1.075281 31 H 5.671810 3.378397 3.846515 3.376452 2.137625 32 H 3.908106 2.149421 3.383378 3.845929 3.365298 26 27 28 29 30 26 C 0.000000 27 C 1.386356 0.000000 28 H 3.844643 3.368401 0.000000 29 H 3.374507 3.846189 2.467484 0.000000 30 H 2.134949 3.373404 4.266815 2.464041 0.000000 31 H 1.074942 2.134400 4.919417 4.265176 2.462864 32 H 2.125621 1.075176 4.264569 4.920787 4.250493 31 32 31 H 0.000000 32 H 2.439043 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.512756 -0.679061 -0.293265 2 6 0 -5.109712 -1.132498 1.029243 3 8 0 -5.014791 0.562560 -0.690801 4 7 0 0.993138 -0.257583 0.029107 5 6 0 -0.368628 -0.386224 -0.045723 6 7 0 -0.915779 -1.533811 -0.208828 7 6 0 -2.269161 -1.679851 -0.298641 8 8 0 -2.817127 -2.732700 -0.449257 9 7 0 -3.055638 -0.518669 -0.198324 10 6 0 -2.487472 0.692024 -0.041081 11 6 0 -1.155427 0.823242 0.044266 12 1 0 -4.681035 -1.420485 -1.057664 13 1 0 -4.680854 -2.077763 1.331134 14 1 0 -6.183295 -1.264170 0.926287 15 1 0 1.326724 0.670801 0.143572 16 6 0 1.969404 -1.254703 0.078357 17 1 0 -3.149076 1.530397 0.004385 18 35 0 -0.387251 2.539396 0.256325 19 1 0 -4.927376 -0.387997 1.796610 20 1 0 -5.952409 0.499512 -0.808326 21 8 0 1.742393 -2.408980 0.219480 22 6 0 3.372251 -0.725440 -0.022672 23 6 0 4.382203 -1.491436 0.551675 24 6 0 5.696484 -1.070226 0.489435 25 6 0 6.016843 0.112545 -0.162175 26 6 0 5.020267 0.869512 -0.752505 27 6 0 3.699597 0.453988 -0.680704 28 1 0 4.121684 -2.411077 1.039580 29 1 0 6.470740 -1.662021 0.943008 30 1 0 7.040549 0.437426 -0.214204 31 1 0 5.265859 1.777815 -1.272284 32 1 0 2.943066 1.040886 -1.169800 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5060514 0.1433054 0.1149587 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1893.7993053297 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= 339 RedAO= T EigKep= 4.32D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999997 0.001992 0.000002 -0.001663 Ang= 0.30 deg. 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) = -3457.12275725 A.U. after 14 cycles NFock= 14 Conv=0.29D-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 0.000648436 0.000003804 -0.000223514 2 6 -0.000143809 0.000217414 0.000164244 3 8 -0.000628445 0.000865272 0.000367670 4 7 0.000035948 0.000529236 -0.000226693 5 6 0.000481934 -0.000111555 0.000572077 6 7 -0.000615133 -0.000113995 -0.000730077 7 6 0.000071880 -0.000219073 0.000767925 8 8 0.000698717 -0.000260625 -0.000357822 9 7 -0.001216998 -0.000630571 -0.000672076 10 6 0.000480929 -0.000089127 0.000728610 11 6 0.000462709 0.000230398 -0.000411214 12 1 0.000328042 0.000224070 -0.000197565 13 1 0.000003401 0.000108575 -0.000093497 14 1 -0.000119719 -0.000029985 -0.000171461 15 1 -0.000052554 -0.000125767 -0.000034187 16 6 -0.000772808 -0.000399575 0.000335361 17 1 0.000099137 -0.000203806 -0.000106129 18 35 -0.000448950 0.000030061 0.000368599 19 1 -0.000072880 0.000031331 0.000122426 20 1 0.000189823 -0.000231580 -0.000093731 21 8 0.000598527 0.000044617 0.000015267 22 6 0.000497060 0.000262715 -0.000130435 23 6 0.000062492 -0.000543357 -0.000078802 24 6 -0.000489624 0.000327823 0.000102026 25 6 0.000426443 0.000282203 -0.000018786 26 6 0.000042443 -0.000723755 -0.000044083 27 6 -0.000573594 0.000429344 0.000027533 28 1 -0.000037006 0.000042315 0.000011255 29 1 0.000030542 -0.000038892 0.000005634 30 1 -0.000002264 -0.000033531 -0.000010790 31 1 0.000044410 0.000075372 -0.000040020 32 1 -0.000029090 0.000050645 0.000052257 ------------------------------------------------------------------- Cartesian Forces: Max 0.001216998 RMS 0.000366450 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001006432 RMS 0.000213310 Search for a local minimum. Step number 27 out of a maximum of 170 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 15 23 22 26 27 DE= -6.18D-04 DEPred=-6.25D-04 R= 9.89D-01 TightC=F SS= 1.41D+00 RLast= 3.38D-01 DXNew= 1.4756D-01 1.0151D+00 Trust test= 9.89D-01 RLast= 3.38D-01 DXMaxT set to 1.48D-01 ITU= 1 0 0 -1 -1 0 0 0 0 0 0 -1 0 1 1 1 1 1 1 1 ITU= 1 -1 1 1 0 1 0 Eigenvalues --- 0.00234 0.00289 0.00525 0.01187 0.01324 Eigenvalues --- 0.01383 0.01527 0.01626 0.01705 0.01808 Eigenvalues --- 0.01871 0.01913 0.02019 0.02105 0.02112 Eigenvalues --- 0.02127 0.02132 0.02150 0.02340 0.02537 Eigenvalues --- 0.02546 0.02594 0.02662 0.04595 0.05524 Eigenvalues --- 0.05657 0.05996 0.06556 0.07229 0.08739 Eigenvalues --- 0.12181 0.15527 0.15732 0.15863 0.15917 Eigenvalues --- 0.15998 0.16004 0.16018 0.16081 0.16117 Eigenvalues --- 0.16297 0.17727 0.20100 0.21651 0.21821 Eigenvalues --- 0.22005 0.22348 0.23278 0.23462 0.24217 Eigenvalues --- 0.24393 0.25002 0.25101 0.25382 0.26951 Eigenvalues --- 0.28130 0.29531 0.31275 0.33340 0.33560 Eigenvalues --- 0.33783 0.34064 0.34262 0.34438 0.35127 Eigenvalues --- 0.35510 0.38210 0.38360 0.38413 0.38435 Eigenvalues --- 0.38518 0.38680 0.39421 0.39941 0.41709 Eigenvalues --- 0.42917 0.44056 0.45477 0.48845 0.50456 Eigenvalues --- 0.50539 0.52020 0.55156 0.55971 0.56107 Eigenvalues --- 0.58022 0.64616 0.73047 0.88425 0.91112 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 27 26 RFO step: Lambda=-2.45480553D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.44306 -0.44306 Iteration 1 RMS(Cart)= 0.06376349 RMS(Int)= 0.00094495 Iteration 2 RMS(Cart)= 0.00205211 RMS(Int)= 0.00007296 Iteration 3 RMS(Cart)= 0.00000143 RMS(Int)= 0.00007296 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00007296 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87275 -0.00032 0.00140 -0.00378 -0.00237 2.87038 R2 2.64001 -0.00000 -0.00114 0.00211 0.00097 2.64098 R3 2.77599 -0.00101 -0.00178 -0.00762 -0.00940 2.76659 R4 2.03734 0.00024 -0.00067 -0.00042 -0.00109 2.03626 R5 2.04281 0.00010 0.00096 0.00030 0.00126 2.04408 R6 2.05322 0.00002 0.00010 -0.00164 -0.00153 2.05169 R7 2.04962 0.00014 0.00009 0.00002 0.00011 2.04973 R8 1.78968 0.00029 -0.00035 -0.00055 -0.00090 1.78878 R9 2.58869 0.00024 -0.00088 -0.00029 -0.00117 2.58752 R10 1.87672 0.00001 0.00012 0.00067 0.00078 1.87750 R11 2.63870 -0.00035 0.00220 -0.00095 0.00126 2.63996 R12 2.42219 0.00024 0.00016 0.00002 0.00019 2.42238 R13 2.73192 0.00001 0.00074 0.00011 0.00092 2.73283 R14 2.57796 0.00013 -0.00073 0.00265 0.00187 2.57983 R15 2.26092 0.00081 -0.00049 -0.00032 -0.00081 2.26011 R16 2.65703 -0.00034 0.00041 -0.00427 -0.00392 2.65311 R17 2.54469 -0.00019 -0.00050 0.00099 0.00049 2.54518 R18 2.53452 0.00015 -0.00027 -0.00069 -0.00091 2.53361 R19 2.02002 0.00007 0.00044 0.00063 0.00107 2.02109 R20 3.57565 0.00058 -0.00183 0.00344 0.00161 3.57726 R21 2.23899 0.00053 -0.00048 -0.00025 -0.00072 2.23827 R22 2.83982 0.00010 -0.00093 0.00034 -0.00059 2.83923 R23 2.62980 -0.00025 0.00190 -0.00384 -0.00193 2.62786 R24 2.62611 0.00040 -0.00211 0.00454 0.00243 2.62855 R25 2.61071 0.00032 -0.00201 0.00282 0.00081 2.61152 R26 2.02797 -0.00004 -0.00023 0.00126 0.00104 2.02900 R27 2.62269 -0.00032 0.00209 -0.00314 -0.00105 2.62164 R28 2.03128 -0.00002 -0.00028 0.00100 0.00072 2.03200 R29 2.61483 0.00028 -0.00212 0.00313 0.00101 2.61584 R30 2.03199 -0.00003 -0.00025 0.00090 0.00065 2.03263 R31 2.61983 -0.00044 0.00213 -0.00364 -0.00151 2.61832 R32 2.03135 -0.00005 -0.00018 0.00061 0.00043 2.03178 R33 2.03179 -0.00004 -0.00026 0.00027 0.00001 2.03180 A1 1.95146 0.00037 0.00360 0.00256 0.00611 1.95757 A2 1.94534 0.00002 0.00093 -0.00560 -0.00468 1.94067 A3 1.92879 -0.00014 -0.00292 0.00122 -0.00175 1.92704 A4 1.85231 -0.00063 0.00021 -0.00794 -0.00773 1.84458 A5 1.93195 0.00021 0.00045 0.01053 0.01096 1.94291 A6 1.85015 0.00014 -0.00242 -0.00121 -0.00364 1.84652 A7 1.92622 -0.00010 -0.00239 -0.00274 -0.00513 1.92109 A8 1.91954 -0.00027 0.00383 -0.00376 0.00006 1.91961 A9 1.92276 0.00001 0.00170 0.00231 0.00399 1.92676 A10 1.88861 0.00015 -0.00080 0.00149 0.00069 1.88930 A11 1.91341 0.00007 -0.00206 0.00124 -0.00082 1.91259 A12 1.89266 0.00015 -0.00028 0.00153 0.00123 1.89389 A13 1.90914 -0.00022 -0.00020 0.00174 0.00154 1.91067 A14 2.01307 -0.00002 0.00316 -0.00441 -0.00129 2.01178 A15 2.25221 -0.00015 -0.00237 0.00290 0.00049 2.25270 A16 2.01378 0.00016 0.00013 0.00041 0.00051 2.01429 A17 2.11224 0.00001 -0.00222 0.00271 0.00047 2.11271 A18 2.04773 -0.00002 0.00149 -0.00271 -0.00123 2.04650 A19 2.12308 0.00001 0.00076 -0.00032 0.00029 2.12337 A20 2.12670 0.00001 -0.00006 0.00150 0.00113 2.12783 A21 2.16140 0.00024 0.00035 0.00418 0.00466 2.16606 A22 2.05084 -0.00023 -0.00006 -0.00332 -0.00366 2.04718 A23 2.07093 -0.00001 -0.00029 -0.00083 -0.00099 2.06994 A24 2.04885 -0.00046 0.00361 -0.00320 0.00018 2.04903 A25 2.12261 0.00003 -0.00357 -0.00067 -0.00446 2.11815 A26 2.11160 0.00044 0.00057 0.00417 0.00418 2.11578 A27 2.11115 -0.00015 0.00061 -0.00154 -0.00107 2.11008 A28 2.03640 -0.00016 0.00081 -0.00439 -0.00354 2.03286 A29 2.13561 0.00031 -0.00142 0.00588 0.00449 2.14011 A30 2.04285 -0.00007 -0.00098 -0.00017 -0.00120 2.04165 A31 2.14697 0.00014 -0.00032 0.00174 0.00144 2.14841 A32 2.09332 -0.00007 0.00129 -0.00161 -0.00030 2.09303 A33 2.17235 -0.00030 -0.00045 -0.00106 -0.00153 2.17082 A34 1.98101 0.00047 -0.00168 0.00279 0.00109 1.98210 A35 2.12937 -0.00017 0.00211 -0.00209 -0.00000 2.12937 A36 2.04415 -0.00010 0.00170 -0.00003 0.00166 2.04581 A37 2.15392 0.00019 -0.00246 0.00037 -0.00210 2.15182 A38 2.08476 -0.00010 0.00081 -0.00045 0.00037 2.08512 A39 2.09901 0.00004 -0.00074 0.00039 -0.00035 2.09866 A40 2.07505 0.00002 -0.00035 0.00192 0.00157 2.07662 A41 2.10912 -0.00007 0.00109 -0.00231 -0.00123 2.10790 A42 2.09506 -0.00003 0.00020 -0.00018 0.00002 2.09508 A43 2.09252 -0.00003 0.00127 -0.00193 -0.00066 2.09185 A44 2.09560 0.00006 -0.00147 0.00211 0.00064 2.09625 A45 2.09471 0.00002 0.00035 0.00038 0.00073 2.09544 A46 2.09435 0.00001 -0.00123 0.00105 -0.00018 2.09417 A47 2.09410 -0.00003 0.00089 -0.00143 -0.00054 2.09356 A48 2.09444 0.00002 -0.00037 -0.00039 -0.00075 2.09369 A49 2.09901 -0.00008 0.00131 -0.00282 -0.00151 2.09750 A50 2.08972 0.00006 -0.00093 0.00321 0.00227 2.09199 A51 2.09820 0.00005 -0.00018 0.00022 0.00001 2.09821 A52 2.10939 0.00003 -0.00017 -0.00352 -0.00374 2.10565 A53 2.07502 -0.00008 0.00073 0.00334 0.00401 2.07903 D1 -3.10783 0.00031 -0.00066 0.00881 0.00815 -3.09968 D2 1.09288 0.00036 -0.00060 0.01105 0.01045 1.10334 D3 -0.99244 0.00034 -0.00368 0.01007 0.00638 -0.98605 D4 -1.03771 -0.00023 0.00260 -0.00330 -0.00071 -1.03842 D5 -3.12019 -0.00018 0.00265 -0.00106 0.00159 -3.11860 D6 1.07768 -0.00020 -0.00043 -0.00204 -0.00248 1.07520 D7 1.01491 -0.00013 -0.00171 -0.00754 -0.00924 1.00566 D8 -1.06757 -0.00008 -0.00165 -0.00530 -0.00694 -1.07451 D9 3.13030 -0.00010 -0.00473 -0.00628 -0.01101 3.11929 D10 -1.06543 -0.00014 0.00037 -0.00754 -0.00721 -1.07265 D11 3.09315 0.00003 -0.00300 0.00298 -0.00003 3.09312 D12 1.09324 0.00011 -0.00049 0.00359 0.00316 1.09640 D13 1.40924 -0.00006 0.03079 0.02661 0.05743 1.46667 D14 -1.74899 0.00017 0.04925 0.04715 0.09635 -1.65265 D15 -2.74544 0.00000 0.03586 0.02134 0.05725 -2.68819 D16 0.37952 0.00023 0.05432 0.04188 0.09616 0.47568 D17 -0.69030 0.00001 0.03532 0.02903 0.06439 -0.62591 D18 2.43466 0.00024 0.05378 0.04957 0.10331 2.53796 D19 3.12751 -0.00036 -0.01492 -0.03416 -0.04910 3.07841 D20 0.00339 -0.00019 -0.01676 -0.01308 -0.02984 -0.02645 D21 -0.11718 -0.00038 -0.00461 -0.04791 -0.05252 -0.16970 D22 3.04188 -0.00020 -0.00645 -0.02683 -0.03326 3.00862 D23 -0.16239 -0.00024 0.00087 -0.03421 -0.03332 -0.19571 D24 3.01101 -0.00015 0.00153 -0.02181 -0.02028 2.99072 D25 2.87606 -0.00026 0.01137 -0.04819 -0.03683 2.83923 D26 -0.23372 -0.00017 0.01202 -0.03580 -0.02379 -0.25751 D27 -3.13026 0.00006 -0.00222 0.01218 0.00996 -3.12030 D28 -0.00691 -0.00012 -0.00029 -0.00984 -0.01017 -0.01708 D29 3.13195 -0.00017 -0.00845 -0.02104 -0.02951 3.10244 D30 0.00045 -0.00013 -0.00756 -0.01739 -0.02491 -0.02446 D31 0.00795 0.00000 -0.01027 0.00015 -0.01012 -0.00218 D32 -3.12356 0.00005 -0.00937 0.00380 -0.00552 -3.12908 D33 -3.14010 0.00014 0.01846 0.01787 0.03638 -3.10372 D34 -0.00586 0.00027 0.01660 0.02271 0.03928 0.03342 D35 -3.13996 -0.00010 -0.00503 -0.00662 -0.01144 3.13178 D36 0.01815 -0.00032 -0.02321 -0.02697 -0.05021 -0.03206 D37 -0.00533 0.00003 -0.00679 -0.00202 -0.00867 -0.01401 D38 -3.13040 -0.00019 -0.02498 -0.02237 -0.04744 3.10534 D39 3.14145 -0.00001 -0.00608 -0.00285 -0.00883 3.13262 D40 -0.00711 -0.00011 -0.00740 -0.01198 -0.01927 -0.02637 D41 -0.01737 0.00021 0.01312 0.01835 0.03153 0.01415 D42 3.11725 0.00011 0.01181 0.00922 0.02109 3.13835 D43 0.00441 -0.00006 0.00345 -0.00466 -0.00114 0.00327 D44 3.13624 -0.00010 0.00257 -0.00818 -0.00558 3.13066 D45 -3.12981 0.00005 0.00483 0.00504 0.00998 -3.11983 D46 0.00202 0.00001 0.00396 0.00153 0.00554 0.00756 D47 2.68674 -0.00007 0.03922 -0.07811 -0.03889 2.64785 D48 -0.48374 -0.00009 0.04095 -0.08273 -0.04179 -0.52553 D49 -0.42393 0.00002 0.03990 -0.06608 -0.02617 -0.45010 D50 2.68877 -0.00000 0.04163 -0.07070 -0.02906 2.65970 D51 3.13457 -0.00001 -0.00163 -0.00284 -0.00448 3.13009 D52 -0.00533 -0.00001 -0.00064 -0.00157 -0.00221 -0.00754 D53 0.02068 0.00000 -0.00322 0.00157 -0.00166 0.01902 D54 -3.11922 0.00000 -0.00223 0.00284 0.00061 -3.11861 D55 -3.12286 0.00002 0.00088 0.00422 0.00510 -3.11776 D56 -0.01790 0.00003 0.01027 0.00530 0.01556 -0.00235 D57 -0.01081 0.00000 0.00266 -0.00050 0.00217 -0.00864 D58 3.09416 0.00001 0.01205 0.00059 0.01262 3.10678 D59 -0.01416 -0.00001 0.00136 -0.00156 -0.00020 -0.01436 D60 3.13173 -0.00001 0.00126 -0.00104 0.00023 3.13196 D61 3.12570 -0.00001 0.00035 -0.00285 -0.00250 3.12320 D62 -0.01160 -0.00000 0.00026 -0.00233 -0.00207 -0.01367 D63 -0.00235 0.00001 0.00111 0.00044 0.00155 -0.00080 D64 -3.13660 0.00001 -0.00035 -0.00005 -0.00040 -3.13700 D65 3.13494 0.00001 0.00121 -0.00009 0.00112 3.13605 D66 0.00069 0.00001 -0.00025 -0.00059 -0.00083 -0.00015 D67 0.01219 -0.00000 -0.00165 0.00062 -0.00104 0.01115 D68 -3.12381 0.00002 -0.00351 0.00042 -0.00310 -3.12691 D69 -3.13674 -0.00000 -0.00022 0.00113 0.00092 -3.13583 D70 0.01044 0.00001 -0.00207 0.00093 -0.00115 0.00929 D71 -0.00555 -0.00000 -0.00024 -0.00060 -0.00083 -0.00639 D72 -3.11123 -0.00001 -0.00942 -0.00152 -0.01096 -3.12220 D73 3.13048 -0.00002 0.00162 -0.00041 0.00121 3.13169 D74 0.02480 -0.00003 -0.00756 -0.00134 -0.00892 0.01588 Item Value Threshold Converged? Maximum Force 0.001006 0.000450 NO RMS Force 0.000213 0.000300 YES Maximum Displacement 0.314266 0.001800 NO RMS Displacement 0.063973 0.001200 NO Predicted change in Energy=-1.327071D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.517114 -6.548454 1.289619 2 6 0 7.754547 -6.837421 2.121742 3 8 0 5.456925 -7.401674 1.607652 4 7 0 4.741805 -1.377998 2.072987 5 6 0 5.219982 -2.647148 1.884668 6 7 0 6.141749 -2.885816 1.026432 7 6 0 6.614311 -4.147650 0.806891 8 8 0 7.497439 -4.409765 0.044133 9 7 0 6.020727 -5.192750 1.532527 10 6 0 5.050801 -4.952761 2.435667 11 6 0 4.610271 -3.706151 2.658052 12 1 0 6.752470 -6.590811 0.238948 13 1 0 8.538239 -6.132598 1.878678 14 1 0 8.119158 -7.837802 1.909484 15 1 0 3.990210 -1.299364 2.717985 16 6 0 5.234043 -0.168820 1.575778 17 1 0 4.649921 -5.804912 2.942614 18 35 0 3.233336 -3.402503 3.921113 19 1 0 7.522491 -6.772632 3.179314 20 1 0 5.707349 -8.296682 1.428025 21 8 0 6.285223 -0.042372 1.044805 22 6 0 4.324134 0.999666 1.828907 23 6 0 4.915449 2.253053 1.943589 24 6 0 4.136044 3.372962 2.162991 25 6 0 2.756889 3.252527 2.252741 26 6 0 2.159325 2.010799 2.121750 27 6 0 2.940481 0.885448 1.914031 28 1 0 5.982381 2.334972 1.855371 29 1 0 4.600619 4.337891 2.259544 30 1 0 2.150730 4.125335 2.419301 31 1 0 1.089690 1.917159 2.177497 32 1 0 2.461146 -0.069729 1.796163 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.518937 0.000000 3 O 1.397545 2.421103 0.000000 4 N 5.522590 6.235727 6.083799 0.000000 5 C 4.154133 4.902919 4.768480 1.369255 0.000000 6 N 3.691217 4.406359 4.604321 2.308384 1.281869 7 C 2.450783 3.203723 3.545340 3.574947 2.314577 8 O 2.662003 3.205632 3.944592 4.571802 3.417777 9 N 1.464015 2.461351 2.280979 4.059565 2.691707 10 C 2.451477 3.310700 2.616815 3.606376 2.376567 11 C 3.686102 4.469782 3.934089 2.404143 1.446153 12 H 1.077541 2.147065 2.051654 5.880466 4.539756 13 H 2.145897 1.081679 3.343428 6.087437 4.812404 14 H 2.147835 1.085705 2.714553 7.291249 5.945479 15 H 5.998202 6.722783 6.373561 0.993530 2.005811 16 C 6.513670 7.149913 7.236358 1.397006 2.497543 17 H 2.602241 3.373220 2.232270 4.512457 3.378712 18 Br 5.254043 5.956320 5.127360 3.128845 2.943540 19 H 2.152205 1.084669 2.670651 6.169137 4.898701 20 H 1.931625 2.608008 0.946581 7.015442 5.688873 21 O 6.514815 7.035013 7.427127 2.285430 2.936830 22 C 7.878713 8.559990 8.480253 2.426378 3.755650 23 C 8.969924 9.525174 9.675733 3.637503 4.910009 24 C 10.240448 10.832691 10.869495 4.790268 6.123244 25 C 10.541638 11.260587 11.009921 5.041227 6.403786 26 C 9.640725 10.468883 9.986647 4.260930 5.578557 27 C 8.273155 9.102806 8.666184 2.897106 4.204310 28 H 8.917470 9.345819 9.753961 3.920782 5.040202 29 H 11.096225 11.612659 11.788792 5.720675 7.022458 30 H 11.587548 12.315573 12.019220 6.092642 7.454708 31 H 10.095141 11.003004 10.307188 4.920054 6.162626 32 H 7.660376 8.598126 7.922604 2.643787 3.776520 6 7 8 9 10 6 N 0.000000 7 C 1.365187 0.000000 8 O 2.263896 1.196001 0.000000 9 N 2.364893 1.403968 2.238093 0.000000 10 C 2.729170 2.397015 3.464147 1.346852 0.000000 11 C 2.383393 2.763675 3.957699 2.337983 1.340730 12 H 3.836677 2.512107 2.312983 2.040433 3.225594 13 H 4.124449 2.964835 2.723412 2.709429 3.723503 14 H 5.404821 4.134912 3.951899 3.397324 4.244425 15 H 3.163432 4.318671 5.396734 4.548270 3.814691 16 C 2.916810 4.281053 5.045247 5.085333 4.864060 17 H 3.797161 3.341656 4.296043 2.059659 1.069515 18 Br 4.135821 4.656675 5.850480 4.084100 2.813011 19 H 4.652814 3.652905 3.925956 2.731891 3.158194 20 H 5.443110 4.292185 4.497521 3.121461 3.553618 21 O 2.847121 4.125313 4.641652 5.180176 5.250735 22 C 4.364020 5.725757 6.520524 6.427463 6.027237 23 C 5.362180 6.719168 7.393765 7.538607 7.223864 24 C 6.669852 8.033705 8.738385 8.793232 8.380262 25 C 7.116205 8.469523 9.276933 9.082624 8.521869 26 C 6.405955 7.713770 8.604394 8.194432 7.546545 27 C 5.025772 6.328891 7.231989 6.824804 6.229786 28 H 5.288589 6.597199 7.146150 7.534739 7.369914 29 H 7.488497 8.841355 9.477399 9.663249 9.303220 30 H 8.186853 9.537594 10.347785 10.128670 9.530084 31 H 7.065184 8.317566 9.254213 8.676515 7.934283 32 H 4.697838 5.903972 6.875302 6.243835 5.564107 11 12 13 14 15 11 C 0.000000 12 H 4.331552 0.000000 13 H 4.682307 2.467315 0.000000 14 H 5.472036 2.492692 1.756217 0.000000 15 H 2.486100 6.463367 6.689481 7.775156 0.000000 16 C 3.751416 6.733105 6.824669 8.200520 2.032213 17 H 2.118336 3.513995 4.044546 4.151579 4.559127 18 Br 1.893007 6.008989 6.306104 6.898535 2.538419 19 H 4.260990 3.044954 1.770040 1.761553 6.530428 20 H 4.877450 2.327268 3.591697 2.501839 7.319495 21 O 4.339506 6.614361 6.546929 8.054795 3.105905 22 C 4.786865 8.126507 8.284344 9.618188 2.487470 23 C 6.009635 9.192082 9.134986 10.587269 3.751723 24 C 7.112231 10.479713 10.479305 11.900029 4.707432 25 C 7.212663 10.812554 11.029257 12.323439 4.738908 26 C 6.243258 9.931244 10.347200 11.513453 3.829466 27 C 4.942120 8.557546 8.977144 10.144644 2.553757 28 H 6.246772 9.103596 8.844925 10.394906 4.233350 29 H 8.053913 11.320326 11.192902 12.678728 5.688709 30 H 8.212096 11.864473 12.096187 13.379039 5.735875 31 H 6.651845 10.402432 10.971270 12.026825 4.364764 32 H 4.311052 7.960207 8.584653 9.610875 2.167901 16 17 18 19 20 16 C 0.000000 17 H 5.828806 0.000000 18 Br 4.467676 2.955629 0.000000 19 H 7.170680 3.040422 5.504987 0.000000 20 H 8.142972 3.101782 6.024053 2.946944 0.000000 21 O 1.184441 6.283531 5.373792 7.168219 8.283383 22 C 1.502454 6.902809 4.994623 8.512444 9.407235 23 C 2.470274 8.123999 6.222975 9.475583 10.591969 24 C 3.754283 9.225251 7.057819 10.744022 11.797871 25 C 4.277872 9.278831 6.877492 11.138820 11.948623 26 C 3.808243 8.243921 5.804743 10.345561 10.923089 27 C 2.546825 6.981482 4.743487 9.013431 9.602253 28 H 2.628147 8.319571 6.689033 9.331303 10.643793 29 H 4.602087 10.165898 8.033927 11.525061 12.710181 30 H 5.353327 10.253274 7.752150 12.173706 12.959115 31 H 4.678571 8.537625 5.994516 10.858040 11.234190 32 H 2.783406 6.244792 4.027292 8.512299 8.851899 21 22 23 24 25 21 O 0.000000 22 C 2.355107 0.000000 23 C 2.820119 1.390606 0.000000 24 C 4.187340 2.404064 1.381957 0.000000 25 C 4.976405 2.776919 2.398730 1.387310 0.000000 26 C 4.732690 2.407186 2.772480 2.400959 1.384244 27 C 3.578226 1.390966 2.402439 2.771115 2.398228 28 H 2.529920 2.129207 1.073703 2.140330 3.376923 29 H 4.847699 3.377223 2.132016 1.075286 2.139487 30 H 6.029349 3.852539 3.372745 2.138511 1.075623 31 H 5.667125 3.380079 3.847592 3.376365 2.137386 32 H 3.897288 2.148349 3.382403 3.846032 3.366498 26 27 28 29 30 26 C 0.000000 27 C 1.385556 0.000000 28 H 3.846011 3.370121 0.000000 29 H 3.375539 3.846401 2.466638 0.000000 30 H 2.135386 3.372814 4.266727 2.464276 0.000000 31 H 1.075172 2.135245 4.921052 4.265360 2.461771 32 H 2.127368 1.075183 4.264410 4.921298 4.252437 31 32 31 H 0.000000 32 H 2.444182 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.498586 -0.696401 -0.335868 2 6 0 -5.118047 -1.038991 1.008033 3 8 0 -4.975923 0.515329 -0.842814 4 7 0 0.993021 -0.254869 0.046634 5 6 0 -0.367707 -0.392550 -0.019098 6 7 0 -0.908343 -1.541808 -0.192617 7 6 0 -2.261601 -1.696236 -0.285251 8 8 0 -2.809122 -2.752255 -0.409594 9 7 0 -3.047831 -0.534674 -0.224088 10 6 0 -2.489560 0.677606 -0.043197 11 6 0 -1.160427 0.813821 0.068202 12 1 0 -4.650955 -1.501193 -1.036003 13 1 0 -4.694955 -1.959104 1.388049 14 1 0 -6.189327 -1.177184 0.898407 15 1 0 1.321352 0.679429 0.126562 16 6 0 1.975052 -1.244767 0.132325 17 1 0 -3.159182 1.510948 -0.011414 18 35 0 -0.403885 2.532969 0.304101 19 1 0 -4.945065 -0.238378 1.719091 20 1 0 -5.910912 0.454633 -0.977455 21 8 0 1.755173 -2.387790 0.351535 22 6 0 3.373803 -0.718129 -0.021017 23 6 0 4.391330 -1.421120 0.614770 24 6 0 5.702844 -0.999831 0.504088 25 6 0 6.011236 0.118203 -0.257176 26 6 0 5.006079 0.812862 -0.907744 27 6 0 3.689303 0.398813 -0.787626 28 1 0 4.141322 -2.294521 1.187050 29 1 0 6.483669 -1.542993 1.005614 30 1 0 7.032814 0.442885 -0.346196 31 1 0 5.244504 1.671598 -1.509177 32 1 0 2.921430 0.937462 -1.313218 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5052542 0.1430566 0.1155196 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1894.0095540488 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= 339 RedAO= T EigKep= 4.32D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999979 0.006420 0.000192 -0.001013 Ang= 0.75 deg. 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) = -3457.12277127 A.U. after 14 cycles NFock= 14 Conv=0.33D-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 -0.000466347 0.000372500 0.000979473 2 6 0.000318297 -0.000463938 -0.000182622 3 8 0.000562578 -0.000147849 -0.000291425 4 7 -0.000511451 0.001150251 -0.000040831 5 6 -0.000673903 -0.001219658 -0.001102382 6 7 0.000542395 0.000326196 -0.000768043 7 6 -0.001039537 0.001020129 0.002177612 8 8 0.001197897 0.000956644 -0.001398760 9 7 -0.000994707 0.001028797 0.000312403 10 6 -0.000134970 -0.000459137 -0.000761587 11 6 0.000581529 0.000097971 0.000455961 12 1 -0.000566632 -0.001023380 -0.000226320 13 1 0.000074863 -0.000136888 0.000048886 14 1 0.000411887 -0.000516875 0.000073110 15 1 -0.000038808 0.000368249 -0.000118501 16 6 -0.000464303 -0.000317481 0.001827042 17 1 -0.000023517 0.000387105 0.000106083 18 35 -0.000007606 0.000049401 0.000167026 19 1 -0.000109639 -0.000017697 0.000100408 20 1 0.000258581 -0.000928876 -0.000174536 21 8 0.001110400 -0.000213038 -0.000753497 22 6 -0.000840692 -0.000274467 -0.000374713 23 6 0.000585465 0.000110354 -0.000531261 24 6 -0.000119714 0.000525041 0.000101124 25 6 0.000041605 0.000498015 0.000096662 26 6 -0.000151101 -0.000171522 0.000117151 27 6 0.000809412 -0.000438432 0.000754762 28 1 -0.000386018 -0.000085509 0.000056894 29 1 -0.000166191 -0.000268858 0.000008096 30 1 0.000141146 -0.000224849 -0.000093130 31 1 0.000241146 -0.000116508 -0.000112157 32 1 -0.000182064 0.000134308 -0.000452927 ------------------------------------------------------------------- Cartesian Forces: Max 0.002177612 RMS 0.000608095 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002760906 RMS 0.000501721 Search for a local minimum. Step number 28 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 15 23 22 26 27 28 DE= -1.40D-05 DEPred=-1.33D-04 R= 1.06D-01 Trust test= 1.06D-01 RLast= 2.62D-01 DXMaxT set to 1.48D-01 ITU= 0 1 0 0 -1 -1 0 0 0 0 0 0 -1 0 1 1 1 1 1 1 ITU= 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00271 0.00329 0.00479 0.00862 0.01326 Eigenvalues --- 0.01398 0.01539 0.01672 0.01707 0.01817 Eigenvalues --- 0.01888 0.01918 0.02087 0.02105 0.02115 Eigenvalues --- 0.02126 0.02133 0.02279 0.02321 0.02549 Eigenvalues --- 0.02580 0.02626 0.02706 0.04873 0.05549 Eigenvalues --- 0.05661 0.05891 0.06705 0.07306 0.08761 Eigenvalues --- 0.13632 0.15558 0.15776 0.15896 0.15941 Eigenvalues --- 0.15998 0.16007 0.16013 0.16067 0.16138 Eigenvalues --- 0.16405 0.18680 0.19881 0.21965 0.21971 Eigenvalues --- 0.22085 0.22937 0.23405 0.23547 0.24311 Eigenvalues --- 0.24617 0.25026 0.25594 0.26093 0.26930 Eigenvalues --- 0.27700 0.29548 0.30807 0.33115 0.33592 Eigenvalues --- 0.33830 0.33957 0.34320 0.34612 0.35190 Eigenvalues --- 0.35372 0.37977 0.38376 0.38398 0.38438 Eigenvalues --- 0.38594 0.39063 0.39171 0.41453 0.42248 Eigenvalues --- 0.43659 0.44110 0.47639 0.48735 0.49824 Eigenvalues --- 0.50881 0.52103 0.55557 0.55945 0.56233 Eigenvalues --- 0.58062 0.66294 0.73496 0.88268 0.90428 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 28 27 26 RFO step: Lambda=-1.97512651D-04. DidBck=T Rises=F RFO-DIIS coefs: 0.64599 0.48364 -0.12963 Iteration 1 RMS(Cart)= 0.01795864 RMS(Int)= 0.00007969 Iteration 2 RMS(Cart)= 0.00018869 RMS(Int)= 0.00000789 Iteration 3 RMS(Cart)= 0.00000002 RMS(Int)= 0.00000789 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87038 0.00080 0.00125 0.00062 0.00187 2.87225 R2 2.64098 -0.00007 -0.00068 0.00037 -0.00031 2.64067 R3 2.76659 0.00276 0.00281 0.00141 0.00422 2.77080 R4 2.03626 0.00014 0.00019 0.00102 0.00121 2.03746 R5 2.04408 -0.00005 -0.00017 -0.00053 -0.00070 2.04338 R6 2.05169 0.00060 0.00057 0.00075 0.00133 2.05301 R7 2.04973 0.00012 -0.00001 0.00043 0.00042 2.05015 R8 1.78878 0.00098 0.00022 0.00131 0.00152 1.79030 R9 2.58752 0.00067 0.00016 0.00169 0.00185 2.58936 R10 1.87750 -0.00002 -0.00024 0.00022 -0.00002 1.87748 R11 2.63996 -0.00074 0.00020 -0.00207 -0.00187 2.63809 R12 2.42238 -0.00036 -0.00002 -0.00005 -0.00007 2.42231 R13 2.73283 -0.00001 -0.00011 -0.00048 -0.00059 2.73225 R14 2.57983 -0.00070 -0.00087 -0.00031 -0.00119 2.57864 R15 2.26011 0.00157 0.00014 0.00157 0.00171 2.26183 R16 2.65311 0.00168 0.00151 0.00089 0.00240 2.65552 R17 2.54518 -0.00003 -0.00032 -0.00020 -0.00052 2.54467 R18 2.53361 0.00034 0.00024 0.00039 0.00063 2.53424 R19 2.02109 -0.00025 -0.00025 -0.00021 -0.00046 2.02063 R20 3.57726 0.00012 -0.00111 0.00205 0.00094 3.57821 R21 2.23827 0.00130 0.00012 0.00145 0.00156 2.23983 R22 2.83923 -0.00030 -0.00006 -0.00046 -0.00052 2.83870 R23 2.62786 0.00025 0.00124 -0.00069 0.00055 2.62841 R24 2.62855 -0.00071 -0.00148 0.00019 -0.00129 2.62726 R25 2.61152 0.00032 -0.00087 0.00179 0.00091 2.61243 R26 2.02900 -0.00039 -0.00043 -0.00049 -0.00092 2.02809 R27 2.62164 -0.00014 0.00099 -0.00116 -0.00018 2.62146 R28 2.03200 -0.00031 -0.00034 -0.00030 -0.00063 2.03136 R29 2.61584 0.00026 -0.00098 0.00176 0.00078 2.61662 R30 2.03263 -0.00028 -0.00030 -0.00027 -0.00057 2.03206 R31 2.61832 -0.00009 0.00116 -0.00138 -0.00022 2.61810 R32 2.03178 -0.00024 -0.00021 -0.00032 -0.00053 2.03125 R33 2.03180 0.00001 -0.00008 0.00015 0.00007 2.03187 A1 1.95757 -0.00096 -0.00111 -0.00313 -0.00424 1.95333 A2 1.94067 0.00053 0.00193 0.00352 0.00545 1.94611 A3 1.92704 0.00014 -0.00023 0.00094 0.00069 1.92773 A4 1.84458 0.00091 0.00280 -0.00163 0.00118 1.84576 A5 1.94291 -0.00042 -0.00375 -0.00257 -0.00632 1.93659 A6 1.84652 -0.00011 0.00058 0.00320 0.00376 1.85027 A7 1.92109 0.00016 0.00112 0.00116 0.00228 1.92337 A8 1.91961 0.00040 0.00110 -0.00133 -0.00024 1.91937 A9 1.92676 -0.00022 -0.00092 -0.00156 -0.00248 1.92428 A10 1.88930 -0.00024 -0.00048 0.00039 -0.00008 1.88922 A11 1.91259 0.00001 -0.00031 0.00126 0.00095 1.91354 A12 1.89389 -0.00012 -0.00052 0.00011 -0.00042 1.89348 A13 1.91067 0.00001 -0.00060 -0.00069 -0.00130 1.90938 A14 2.01178 0.00098 0.00138 0.00076 0.00213 2.01392 A15 2.25270 -0.00124 -0.00087 -0.00148 -0.00236 2.25034 A16 2.01429 0.00024 -0.00014 0.00053 0.00038 2.01468 A17 2.11271 -0.00110 -0.00082 -0.00026 -0.00108 2.11163 A18 2.04650 0.00093 0.00087 0.00086 0.00173 2.04823 A19 2.12337 0.00019 0.00012 -0.00038 -0.00028 2.12309 A20 2.12783 -0.00014 -0.00042 -0.00031 -0.00075 2.12708 A21 2.16606 -0.00182 -0.00155 -0.00333 -0.00488 2.16118 A22 2.04718 0.00057 0.00128 0.00067 0.00194 2.04912 A23 2.06994 0.00125 0.00026 0.00268 0.00295 2.07289 A24 2.04903 0.00107 0.00099 0.00111 0.00209 2.05112 A25 2.11815 -0.00017 0.00053 -0.00050 0.00002 2.11818 A26 2.11578 -0.00090 -0.00131 -0.00081 -0.00214 2.11364 A27 2.11008 0.00017 0.00055 -0.00034 0.00020 2.11028 A28 2.03286 0.00022 0.00149 -0.00052 0.00097 2.03383 A29 2.14011 -0.00039 -0.00201 0.00092 -0.00109 2.13902 A30 2.04165 0.00011 0.00014 0.00084 0.00096 2.04261 A31 2.14841 -0.00008 -0.00060 0.00032 -0.00028 2.14813 A32 2.09303 -0.00003 0.00048 -0.00115 -0.00066 2.09237 A33 2.17082 -0.00015 0.00041 -0.00003 0.00038 2.17120 A34 1.98210 -0.00039 -0.00088 0.00002 -0.00086 1.98124 A35 2.12937 0.00056 0.00062 0.00019 0.00080 2.13017 A36 2.04581 0.00029 -0.00009 0.00077 0.00068 2.04649 A37 2.15182 -0.00046 0.00002 -0.00081 -0.00079 2.15103 A38 2.08512 0.00017 0.00011 0.00005 0.00016 2.08529 A39 2.09866 -0.00007 -0.00009 0.00013 0.00004 2.09869 A40 2.07662 -0.00002 -0.00066 0.00027 -0.00039 2.07623 A41 2.10790 0.00009 0.00075 -0.00039 0.00036 2.10826 A42 2.09508 -0.00013 0.00005 -0.00033 -0.00028 2.09480 A43 2.09185 0.00010 0.00061 -0.00018 0.00042 2.09228 A44 2.09625 0.00003 -0.00066 0.00051 -0.00015 2.09610 A45 2.09544 -0.00009 -0.00016 -0.00023 -0.00039 2.09505 A46 2.09417 0.00006 -0.00030 0.00033 0.00003 2.09420 A47 2.09356 0.00003 0.00045 -0.00010 0.00035 2.09392 A48 2.09369 0.00015 0.00016 0.00033 0.00049 2.09418 A49 2.09750 0.00008 0.00092 -0.00019 0.00072 2.09822 A50 2.09199 -0.00023 -0.00108 -0.00015 -0.00123 2.09077 A51 2.09821 -0.00004 -0.00006 0.00003 -0.00004 2.09817 A52 2.10565 0.00018 0.00128 0.00055 0.00181 2.10746 A53 2.07903 -0.00015 -0.00121 -0.00068 -0.00191 2.07712 D1 -3.09968 -0.00065 -0.00308 -0.00114 -0.00422 -3.10390 D2 1.10334 -0.00071 -0.00388 -0.00152 -0.00539 1.09795 D3 -0.98605 -0.00068 -0.00334 0.00018 -0.00316 -0.98922 D4 -1.03842 0.00022 0.00101 -0.00290 -0.00189 -1.04032 D5 -3.11860 0.00016 0.00021 -0.00327 -0.00306 -3.12166 D6 1.07520 0.00019 0.00075 -0.00158 -0.00083 1.07437 D7 1.00566 0.00049 0.00277 0.00382 0.00659 1.01226 D8 -1.07451 0.00044 0.00197 0.00344 0.00542 -1.06908 D9 3.11929 0.00047 0.00251 0.00514 0.00765 3.12694 D10 -1.07265 0.00052 0.00266 0.00155 0.00421 -1.06844 D11 3.09312 -0.00016 -0.00087 0.00010 -0.00077 3.09235 D12 1.09640 -0.00033 -0.00126 -0.00151 -0.00277 1.09363 D13 1.46667 0.00001 -0.01132 -0.01413 -0.02544 1.44122 D14 -1.65265 0.00009 -0.01970 -0.00430 -0.02398 -1.67663 D15 -2.68819 -0.00028 -0.00978 -0.01695 -0.02673 -2.71492 D16 0.47568 -0.00019 -0.01815 -0.00712 -0.02527 0.45042 D17 -0.62591 -0.00038 -0.01246 -0.01915 -0.03162 -0.65753 D18 2.53796 -0.00029 -0.02084 -0.00932 -0.03016 2.50781 D19 3.07841 0.00010 0.01302 -0.01525 -0.00223 3.07618 D20 -0.02645 -0.00040 0.00566 -0.02179 -0.01614 -0.04259 D21 -0.16970 0.00001 0.01724 -0.01750 -0.00025 -0.16996 D22 3.00862 -0.00050 0.00989 -0.02405 -0.01417 2.99445 D23 -0.19571 0.00020 0.01205 -0.00177 0.01029 -0.18543 D24 2.99072 -0.00030 0.00763 -0.00642 0.00121 2.99193 D25 2.83923 0.00014 0.01636 -0.00402 0.01235 2.85158 D26 -0.25751 -0.00036 0.01194 -0.00867 0.00327 -0.25424 D27 -3.12030 -0.00051 -0.00417 -0.00805 -0.01222 -3.13252 D28 -0.01708 0.00003 0.00352 -0.00118 0.00234 -0.01473 D29 3.10244 0.00024 0.00797 0.00002 0.00800 3.11044 D30 -0.02446 0.00021 0.00661 -0.00032 0.00629 -0.01817 D31 -0.00218 -0.00024 0.00058 -0.00657 -0.00600 -0.00818 D32 -3.12908 -0.00027 -0.00079 -0.00691 -0.00771 -3.13679 D33 -3.10372 -0.00005 -0.00748 0.00480 -0.00265 -3.10637 D34 0.03342 0.00017 -0.00905 0.01022 0.00119 0.03461 D35 3.13178 -0.00008 0.00258 -0.00219 0.00041 3.13219 D36 -0.03206 -0.00016 0.01098 -0.01200 -0.00102 -0.03308 D37 -0.01401 0.00012 0.00108 0.00291 0.00402 -0.00999 D38 3.10534 0.00004 0.00949 -0.00690 0.00259 3.10793 D39 3.13262 -0.00013 0.00135 -0.00571 -0.00433 3.12829 D40 -0.02637 0.00008 0.00466 -0.00205 0.00263 -0.02375 D41 0.01415 -0.00006 -0.00732 0.00447 -0.00287 0.01129 D42 3.13835 0.00015 -0.00401 0.00813 0.00409 -3.14075 D43 0.00327 0.00024 0.00141 0.00467 0.00608 0.00935 D44 3.13066 0.00027 0.00273 0.00501 0.00773 3.13840 D45 -3.11983 0.00001 -0.00212 0.00080 -0.00132 -3.12116 D46 0.00756 0.00004 -0.00080 0.00114 0.00033 0.00789 D47 2.64785 0.00042 0.02524 0.00146 0.02670 2.67455 D48 -0.52553 0.00044 0.02677 0.00217 0.02895 -0.49659 D49 -0.45010 -0.00005 0.02094 -0.00306 0.01788 -0.43222 D50 2.65970 -0.00002 0.02247 -0.00235 0.02012 2.67983 D51 3.13009 0.00006 0.00111 0.00160 0.00271 3.13281 D52 -0.00754 -0.00000 0.00060 0.00021 0.00081 -0.00673 D53 0.01902 0.00005 -0.00036 0.00093 0.00058 0.01960 D54 -3.11861 -0.00001 -0.00087 -0.00046 -0.00133 -3.11994 D55 -3.11776 -0.00004 -0.00155 -0.00080 -0.00234 -3.12010 D56 -0.00235 -0.00027 -0.00250 -0.00546 -0.00796 -0.01031 D57 -0.00864 -0.00002 0.00001 -0.00005 -0.00004 -0.00868 D58 3.10678 -0.00025 -0.00094 -0.00472 -0.00566 3.10111 D59 -0.01436 -0.00005 0.00047 -0.00101 -0.00054 -0.01490 D60 3.13196 -0.00004 0.00029 -0.00083 -0.00054 3.13142 D61 3.12320 0.00002 0.00099 0.00041 0.00140 3.12459 D62 -0.01367 0.00003 0.00081 0.00059 0.00140 -0.01227 D63 -0.00080 0.00001 -0.00022 0.00021 -0.00002 -0.00082 D64 -3.13700 0.00006 0.00004 0.00101 0.00106 -3.13595 D65 3.13605 -0.00000 -0.00004 0.00002 -0.00002 3.13603 D66 -0.00015 0.00005 0.00022 0.00083 0.00105 0.00090 D67 0.01115 0.00003 -0.00012 0.00067 0.00055 0.01171 D68 -3.12691 0.00011 0.00007 0.00295 0.00302 -3.12389 D69 -3.13583 -0.00003 -0.00039 -0.00014 -0.00052 -3.13635 D70 0.00929 0.00005 -0.00020 0.00215 0.00195 0.01124 D71 -0.00639 -0.00002 0.00022 -0.00075 -0.00052 -0.00691 D72 -3.12220 0.00020 0.00113 0.00383 0.00495 -3.11725 D73 3.13169 -0.00010 0.00004 -0.00302 -0.00298 3.12871 D74 0.01588 0.00012 0.00095 0.00155 0.00249 0.01837 Item Value Threshold Converged? Maximum Force 0.002761 0.000450 NO RMS Force 0.000502 0.000300 NO Maximum Displacement 0.063035 0.001800 NO RMS Displacement 0.017952 0.001200 NO Predicted change in Energy=-9.815498D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.521031 -6.550652 1.294755 2 6 0 7.768850 -6.830778 2.116130 3 8 0 5.471863 -7.410550 1.630159 4 7 0 4.724979 -1.380108 2.065673 5 6 0 5.200599 -2.650741 1.873802 6 7 0 6.134920 -2.884980 1.028066 7 6 0 6.614861 -4.144463 0.815033 8 8 0 7.508722 -4.398115 0.060538 9 7 0 6.015393 -5.194735 1.530757 10 6 0 5.032428 -4.958252 2.420212 11 6 0 4.587235 -3.712470 2.639945 12 1 0 6.743252 -6.606024 0.241179 13 1 0 8.549233 -6.126902 1.861582 14 1 0 8.133251 -7.832753 1.907472 15 1 0 3.962190 -1.301655 2.697399 16 6 0 5.232929 -0.171468 1.586048 17 1 0 4.629014 -5.810714 2.924105 18 35 0 3.199979 -3.413757 3.893601 19 1 0 7.545047 -6.759724 3.175305 20 1 0 5.729772 -8.305084 1.454560 21 8 0 6.290022 -0.049424 1.064011 22 6 0 4.326736 1.000456 1.834929 23 6 0 4.920235 2.254253 1.936637 24 6 0 4.143402 3.376785 2.154790 25 6 0 2.764948 3.258077 2.255494 26 6 0 2.165755 2.015449 2.136655 27 6 0 2.944330 0.888087 1.930931 28 1 0 5.986235 2.333851 1.841235 29 1 0 4.609151 4.341683 2.241787 30 1 0 2.160785 4.132287 2.419991 31 1 0 1.096665 1.922259 2.197947 32 1 0 2.461185 -0.065840 1.818272 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519927 0.000000 3 O 1.397381 2.418358 0.000000 4 N 5.527625 6.243196 6.092104 0.000000 5 C 4.157901 4.911959 4.773754 1.370232 0.000000 6 N 3.695586 4.407145 4.613344 2.308506 1.281832 7 C 2.455338 3.200130 3.555025 3.574550 2.313511 8 O 2.670625 3.195461 3.960716 4.569262 3.415944 9 N 1.466246 2.468585 2.283669 4.062349 2.693228 10 C 2.453229 3.329688 2.613628 3.608786 2.377278 11 C 3.688412 4.485633 3.934213 2.405966 1.445842 12 H 1.078180 2.148909 2.047672 5.891723 4.548572 13 H 2.148129 1.081311 3.342382 6.099067 4.826717 14 H 2.149059 1.086407 2.708901 7.299175 5.954396 15 H 6.005584 6.737932 6.382531 0.993519 2.007984 16 C 6.514449 7.145508 7.243158 1.396017 2.496125 17 H 2.604230 3.398812 2.223547 4.514020 3.378650 18 Br 5.255806 5.975786 5.124351 3.130922 2.943512 19 H 2.151462 1.084891 2.666297 6.174490 4.906535 20 H 1.931233 2.601748 0.947388 7.024127 5.694505 21 O 6.509422 7.020017 7.428061 2.285477 2.934187 22 C 7.882002 8.558939 8.491070 2.424650 3.754515 23 C 8.972231 9.522847 9.685383 3.641890 4.913402 24 C 10.244354 10.832345 10.881482 4.793142 6.125985 25 C 10.547149 11.262480 11.024429 5.038901 6.402516 26 C 9.646518 10.471429 10.001817 4.252585 5.572495 27 C 8.278427 9.104459 8.680222 2.886794 4.197299 28 H 8.917345 9.340434 9.760250 3.928694 5.046230 29 H 11.099329 11.611346 11.799717 5.725672 7.027034 30 H 11.593235 12.317935 12.034291 6.089921 7.453071 31 H 10.100976 11.006380 10.323083 4.907931 6.153021 32 H 7.668716 8.603744 7.940046 2.629310 3.766853 6 7 8 9 10 6 N 0.000000 7 C 1.364559 0.000000 8 O 2.261198 1.196908 0.000000 9 N 2.366844 1.405238 2.241914 0.000000 10 C 2.729838 2.396445 3.466099 1.346579 0.000000 11 C 2.382902 2.761918 3.957086 2.338171 1.341064 12 H 3.851678 2.530825 2.343808 2.045612 3.223392 13 H 4.127192 2.960933 2.704649 2.720060 3.747763 14 H 5.408062 4.135507 3.949422 3.403877 4.259197 15 H 3.164545 4.319898 5.396201 4.553324 3.820071 16 C 2.913431 4.276551 5.036959 5.084143 4.863058 17 H 3.797714 3.341880 4.299786 2.059829 1.069272 18 Br 4.135792 4.655420 5.850350 4.084295 2.813220 19 H 4.648949 3.643586 3.909001 2.737439 3.182565 20 H 5.451932 4.301529 4.513576 3.124365 3.552472 21 O 2.840023 4.115441 4.626370 5.173731 5.245705 22 C 4.360868 5.722403 6.512915 6.428411 6.028827 23 C 5.358422 6.713667 7.380652 7.539996 7.229569 24 C 6.666735 8.029460 8.726989 8.795722 8.386516 25 C 7.113399 8.467252 9.270302 9.085189 8.525061 26 C 6.402925 7.712700 8.601823 8.195949 7.545245 27 C 5.023054 6.328079 7.230213 6.825854 6.227297 28 H 5.283896 6.589144 7.127988 7.535042 7.376973 29 H 7.485035 8.835902 9.463055 9.665730 9.311272 30 H 8.183719 9.535160 10.340948 10.131243 9.533323 31 H 7.061316 8.316733 9.253654 8.677017 7.929758 32 H 4.697691 5.907171 6.880106 6.246649 5.559615 11 12 13 14 15 11 C 0.000000 12 H 4.333029 0.000000 13 H 4.704547 2.473223 0.000000 14 H 5.485205 2.492688 1.756438 0.000000 15 H 2.491186 6.473303 6.709885 7.789542 0.000000 16 C 3.750508 6.744869 6.822095 8.198199 2.031552 17 H 2.117810 3.507222 4.073947 4.171553 4.563733 18 Br 1.893505 6.007124 6.332833 6.914434 2.544177 19 H 4.280305 3.045586 1.770515 1.762038 6.546431 20 H 4.878795 2.320827 3.586015 2.490971 7.329189 21 O 4.336007 6.623555 6.532679 8.042955 3.107224 22 C 4.788275 8.138681 8.284288 9.618752 2.485249 23 C 6.017251 9.203396 9.133402 10.586407 3.760465 24 C 7.119684 10.491788 10.479379 11.901000 4.713286 25 C 7.215058 10.825196 11.031363 12.326650 4.734958 26 C 6.239065 9.943647 10.349993 11.517405 3.813764 27 C 4.936290 8.570226 8.979411 10.147832 2.533473 28 H 6.257247 9.113431 8.840459 10.391049 4.248139 29 H 8.064018 11.331774 11.191964 12.678640 5.698544 30 H 8.214393 11.876766 12.098556 13.382646 5.731470 31 H 6.643012 10.413668 10.974648 12.031549 4.342155 32 H 4.300366 7.974793 8.590848 9.617963 2.133804 16 17 18 19 20 16 C 0.000000 17 H 5.827195 0.000000 18 Br 4.468795 2.954228 0.000000 19 H 7.160778 3.076843 5.530917 0.000000 20 H 8.149837 3.097275 6.022778 2.940123 0.000000 21 O 1.185269 6.277847 5.373424 7.145682 8.283860 22 C 1.502176 6.904325 4.999299 8.507321 9.418400 23 C 2.470793 8.130412 6.238215 9.469726 10.601290 24 C 3.755081 9.232432 7.072833 10.740644 11.809867 25 C 4.277952 9.282497 6.883751 11.137851 11.964045 26 C 3.807011 8.242363 5.799376 10.345010 10.939876 27 C 2.545445 6.978430 4.735324 9.011330 9.617693 28 H 2.628539 8.327580 6.708981 9.322164 10.649049 29 H 4.603001 10.175319 8.053639 11.520944 12.720701 30 H 5.353115 10.257171 7.758495 12.173606 12.975282 31 H 4.676194 8.532506 5.980990 10.858806 11.252415 32 H 2.783460 6.239064 4.007662 8.514415 8.871364 21 22 23 24 25 21 O 0.000000 22 C 2.356068 0.000000 23 C 2.818638 1.390897 0.000000 24 C 4.187682 2.404758 1.382439 0.000000 25 C 4.978488 2.777213 2.398873 1.387216 0.000000 26 C 4.735382 2.406468 2.772037 2.400968 1.384658 27 C 3.581080 1.390284 2.402216 2.771553 2.398827 28 H 2.525146 2.128831 1.073217 2.140575 3.376758 29 H 4.847092 3.377734 2.132428 1.074951 2.139036 30 H 6.031251 3.852533 3.372715 2.138197 1.075321 31 H 5.669594 3.378588 3.846841 3.376405 2.137964 32 H 3.902457 2.148847 3.382863 3.846396 3.366283 26 27 28 29 30 26 C 0.000000 27 C 1.385441 0.000000 28 H 3.845090 3.369194 0.000000 29 H 3.375293 3.846503 2.467425 0.000000 30 H 2.135722 3.373123 4.266544 2.463758 0.000000 31 H 1.074893 2.134168 4.919812 4.265337 2.462901 32 H 2.126126 1.075219 4.264390 4.921319 4.251656 31 32 31 H 0.000000 32 H 2.441025 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.501217 -0.697159 -0.329572 2 6 0 -5.115150 -1.073032 1.009078 3 8 0 -4.988315 0.524317 -0.802232 4 7 0 0.996250 -0.249739 0.034160 5 6 0 -0.365216 -0.387010 -0.037268 6 7 0 -0.904535 -1.537464 -0.206631 7 6 0 -2.257514 -1.693640 -0.290766 8 8 0 -2.799510 -2.753701 -0.413643 9 7 0 -3.047744 -0.533382 -0.227254 10 6 0 -2.489832 0.679421 -0.050847 11 6 0 -1.160189 0.817000 0.056733 12 1 0 -4.662028 -1.481781 -1.051362 13 1 0 -4.691849 -2.001663 1.366419 14 1 0 -6.187729 -1.207607 0.900704 15 1 0 1.326922 0.684205 0.108219 16 6 0 1.974139 -1.241364 0.130481 17 1 0 -3.159447 1.512183 -0.012594 18 35 0 -0.406226 2.536939 0.299037 19 1 0 -4.938714 -0.288017 1.736822 20 1 0 -5.924998 0.461495 -0.929599 21 8 0 1.749199 -2.385016 0.345712 22 6 0 3.374582 -0.718544 -0.017679 23 6 0 4.391892 -1.438332 0.600040 24 6 0 5.704847 -1.018535 0.494893 25 6 0 6.014307 0.114422 -0.243357 26 6 0 5.008699 0.825282 -0.876372 27 6 0 3.691095 0.412899 -0.761014 28 1 0 4.140286 -2.321750 1.155072 29 1 0 6.485351 -1.574042 0.982483 30 1 0 7.036358 0.437499 -0.329080 31 1 0 5.246988 1.694194 -1.462550 32 1 0 2.925328 0.963254 -1.277548 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5048200 0.1430989 0.1153547 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1893.6545366122 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= 339 RedAO= T EigKep= 4.32D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999999 -0.001609 -0.000017 -0.000190 Ang= -0.19 deg. 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) = -3457.12286425 A.U. after 12 cycles NFock= 12 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 -0.000144485 -0.000154933 0.000123967 2 6 -0.000161812 0.000077128 -0.000061670 3 8 0.000193301 -0.000643355 -0.000211773 4 7 -0.000418714 -0.000086553 -0.000294699 5 6 0.000624436 -0.000258888 0.000633417 6 7 -0.000438667 0.000286484 -0.000256485 7 6 0.000111863 0.000246873 -0.000095879 8 8 -0.000148948 -0.000245987 0.000261128 9 7 0.000230499 0.000466093 -0.000227304 10 6 0.000125602 0.000043641 0.000058769 11 6 -0.000205632 -0.000008391 0.000007957 12 1 -0.000143960 0.000002194 0.000027867 13 1 0.000130107 0.000043250 0.000023003 14 1 0.000060914 -0.000040906 -0.000001914 15 1 0.000312872 -0.000048816 0.000044465 16 6 0.000106045 -0.000042590 -0.000128082 17 1 -0.000079227 0.000224826 0.000029102 18 35 0.000009409 0.000086424 -0.000107420 19 1 0.000052182 -0.000004525 -0.000036436 20 1 -0.000030550 -0.000013489 0.000021787 21 8 -0.000010033 -0.000089348 0.000369185 22 6 0.000048734 0.000011316 -0.000044575 23 6 -0.000046964 0.000150394 -0.000142255 24 6 0.000018010 -0.000112591 -0.000037316 25 6 -0.000017809 -0.000081916 0.000000742 26 6 0.000011539 0.000176403 0.000013499 27 6 -0.000008255 -0.000014265 0.000315630 28 1 -0.000047368 -0.000053209 -0.000011188 29 1 -0.000007499 -0.000068245 -0.000000148 30 1 -0.000015502 -0.000073866 -0.000029779 31 1 0.000019382 -0.000000686 0.000037360 32 1 -0.000129472 0.000227534 -0.000280954 ------------------------------------------------------------------- Cartesian Forces: Max 0.000643355 RMS 0.000189636 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000726117 RMS 0.000192378 Search for a local minimum. Step number 29 out of a maximum of 170 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 15 23 22 26 27 28 29 DE= -9.30D-05 DEPred=-9.82D-05 R= 9.47D-01 TightC=F SS= 1.41D+00 RLast= 9.32D-02 DXNew= 2.4816D-01 2.7950D-01 Trust test= 9.47D-01 RLast= 9.32D-02 DXMaxT set to 2.48D-01 ITU= 1 0 1 0 0 -1 -1 0 0 0 0 0 0 -1 0 1 1 1 1 1 ITU= 1 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00276 0.00357 0.00483 0.00624 0.01327 Eigenvalues --- 0.01413 0.01538 0.01696 0.01720 0.01831 Eigenvalues --- 0.01888 0.01962 0.02087 0.02106 0.02115 Eigenvalues --- 0.02124 0.02133 0.02333 0.02470 0.02548 Eigenvalues --- 0.02599 0.02692 0.03119 0.04862 0.05568 Eigenvalues --- 0.05660 0.05875 0.06682 0.07326 0.08778 Eigenvalues --- 0.13794 0.15542 0.15761 0.15889 0.15914 Eigenvalues --- 0.15998 0.16010 0.16020 0.16118 0.16145 Eigenvalues --- 0.16384 0.18663 0.20174 0.21964 0.21986 Eigenvalues --- 0.22078 0.23189 0.23454 0.23534 0.24375 Eigenvalues --- 0.24558 0.25043 0.25598 0.25943 0.27558 Eigenvalues --- 0.28047 0.29519 0.31393 0.33417 0.33710 Eigenvalues --- 0.33815 0.34305 0.34455 0.35031 0.35305 Eigenvalues --- 0.36637 0.38329 0.38374 0.38437 0.38464 Eigenvalues --- 0.38725 0.39014 0.39599 0.41062 0.42328 Eigenvalues --- 0.43608 0.44125 0.47350 0.48810 0.50600 Eigenvalues --- 0.51088 0.53669 0.55784 0.56068 0.56624 Eigenvalues --- 0.58095 0.65325 0.73354 0.88560 0.92988 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 29 28 27 26 RFO step: Lambda=-4.23401562D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.62821 -0.47053 -0.15733 -0.00036 Iteration 1 RMS(Cart)= 0.01908111 RMS(Int)= 0.00009438 Iteration 2 RMS(Cart)= 0.00016118 RMS(Int)= 0.00001057 Iteration 3 RMS(Cart)= 0.00000002 RMS(Int)= 0.00001057 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87225 0.00001 0.00080 0.00014 0.00094 2.87319 R2 2.64067 0.00024 -0.00004 -0.00038 -0.00042 2.64025 R3 2.77080 0.00068 0.00117 0.00036 0.00153 2.77233 R4 2.03746 -0.00006 0.00059 -0.00044 0.00015 2.03761 R5 2.04338 0.00012 -0.00024 0.00066 0.00043 2.04381 R6 2.05301 0.00006 0.00059 0.00011 0.00070 2.05371 R7 2.05015 -0.00005 0.00028 -0.00019 0.00009 2.05024 R8 1.79030 0.00000 0.00082 -0.00043 0.00039 1.79069 R9 2.58936 -0.00006 0.00097 -0.00020 0.00077 2.59013 R10 1.87748 -0.00022 0.00011 -0.00038 -0.00027 1.87721 R11 2.63809 -0.00003 -0.00097 0.00131 0.00034 2.63843 R12 2.42231 -0.00021 -0.00001 -0.00005 -0.00007 2.42225 R13 2.73225 -0.00016 -0.00022 -0.00027 -0.00049 2.73176 R14 2.57864 -0.00000 -0.00045 -0.00038 -0.00084 2.57781 R15 2.26183 -0.00022 0.00095 -0.00047 0.00048 2.26231 R16 2.65552 -0.00010 0.00089 -0.00038 0.00050 2.65602 R17 2.54467 0.00028 -0.00025 -0.00011 -0.00036 2.54430 R18 2.53424 0.00008 0.00025 0.00015 0.00041 2.53466 R19 2.02063 -0.00014 -0.00012 -0.00000 -0.00012 2.02051 R20 3.57821 -0.00006 0.00084 0.00053 0.00137 3.57958 R21 2.23983 -0.00018 0.00087 -0.00057 0.00030 2.24013 R22 2.83870 0.00020 -0.00042 0.00058 0.00016 2.83886 R23 2.62841 -0.00005 0.00004 0.00055 0.00060 2.62901 R24 2.62726 0.00019 -0.00043 0.00035 -0.00008 2.62718 R25 2.61243 -0.00015 0.00070 -0.00118 -0.00049 2.61194 R26 2.02809 -0.00005 -0.00041 0.00001 -0.00040 2.02768 R27 2.62146 -0.00006 -0.00028 0.00063 0.00035 2.62181 R28 2.03136 -0.00006 -0.00029 -0.00015 -0.00044 2.03092 R29 2.61662 -0.00023 0.00065 -0.00146 -0.00081 2.61581 R30 2.03206 -0.00006 -0.00026 -0.00014 -0.00039 2.03167 R31 2.61810 0.00001 -0.00037 0.00084 0.00047 2.61858 R32 2.03125 -0.00002 -0.00026 -0.00000 -0.00027 2.03099 R33 2.03187 -0.00011 0.00005 -0.00040 -0.00035 2.03152 A1 1.95333 -0.00020 -0.00170 0.00210 0.00039 1.95372 A2 1.94611 -0.00036 0.00268 -0.00189 0.00079 1.94691 A3 1.92773 0.00016 0.00015 -0.00021 -0.00007 1.92765 A4 1.84576 0.00073 -0.00048 0.00166 0.00119 1.84695 A5 1.93659 -0.00018 -0.00224 0.00056 -0.00169 1.93490 A6 1.85027 -0.00013 0.00179 -0.00241 -0.00063 1.84964 A7 1.92337 0.00009 0.00062 -0.00004 0.00058 1.92394 A8 1.91937 0.00003 -0.00014 0.00078 0.00064 1.92001 A9 1.92428 0.00004 -0.00093 0.00079 -0.00013 1.92414 A10 1.88922 -0.00006 0.00006 -0.00085 -0.00080 1.88843 A11 1.91354 -0.00006 0.00047 -0.00065 -0.00018 1.91336 A12 1.89348 -0.00003 -0.00007 -0.00006 -0.00013 1.89335 A13 1.90938 0.00007 -0.00057 -0.00111 -0.00168 1.90770 A14 2.01392 0.00022 0.00114 0.00034 0.00147 2.01539 A15 2.25034 -0.00053 -0.00141 -0.00097 -0.00238 2.24796 A16 2.01468 0.00029 0.00032 0.00013 0.00045 2.01513 A17 2.11163 -0.00044 -0.00061 -0.00152 -0.00217 2.10946 A18 2.04823 0.00022 0.00089 0.00016 0.00102 2.04925 A19 2.12309 0.00021 -0.00013 0.00097 0.00080 2.12389 A20 2.12708 -0.00013 -0.00029 -0.00066 -0.00099 2.12609 A21 2.16118 0.00028 -0.00233 0.00214 -0.00018 2.16101 A22 2.04912 0.00015 0.00064 0.00010 0.00070 2.04982 A23 2.07289 -0.00043 0.00170 -0.00224 -0.00053 2.07236 A24 2.05112 -0.00048 0.00134 -0.00216 -0.00084 2.05028 A25 2.11818 0.00063 -0.00069 0.00188 0.00117 2.11934 A26 2.11364 -0.00015 -0.00069 0.00032 -0.00045 2.11319 A27 2.11028 -0.00001 -0.00004 -0.00001 -0.00007 2.11021 A28 2.03383 0.00021 0.00005 0.00102 0.00108 2.03491 A29 2.13902 -0.00019 0.00002 -0.00107 -0.00104 2.13797 A30 2.04261 -0.00007 0.00042 -0.00067 -0.00025 2.04236 A31 2.14813 -0.00015 0.00005 -0.00071 -0.00066 2.14747 A32 2.09237 0.00023 -0.00046 0.00136 0.00090 2.09327 A33 2.17120 -0.00049 -0.00000 -0.00116 -0.00117 2.17003 A34 1.98124 0.00070 -0.00037 0.00219 0.00181 1.98306 A35 2.13017 -0.00021 0.00051 -0.00134 -0.00084 2.12933 A36 2.04649 -0.00037 0.00069 -0.00128 -0.00059 2.04590 A37 2.15103 0.00053 -0.00083 0.00163 0.00080 2.15183 A38 2.08529 -0.00016 0.00016 -0.00037 -0.00021 2.08508 A39 2.09869 0.00008 -0.00003 0.00010 0.00007 2.09876 A40 2.07623 -0.00009 0.00000 -0.00038 -0.00037 2.07586 A41 2.10826 0.00001 0.00003 0.00027 0.00030 2.10856 A42 2.09480 0.00005 -0.00017 0.00023 0.00006 2.09486 A43 2.09228 -0.00005 0.00016 -0.00008 0.00008 2.09236 A44 2.09610 -0.00000 0.00001 -0.00016 -0.00015 2.09595 A45 2.09505 -0.00001 -0.00013 0.00009 -0.00003 2.09502 A46 2.09420 0.00006 -0.00001 0.00018 0.00017 2.09437 A47 2.09392 -0.00005 0.00014 -0.00028 -0.00014 2.09377 A48 2.09418 0.00002 0.00019 0.00002 0.00021 2.09439 A49 2.09822 -0.00001 0.00022 0.00001 0.00023 2.09845 A50 2.09077 -0.00001 -0.00041 -0.00003 -0.00044 2.09033 A51 2.09817 0.00002 -0.00002 -0.00007 -0.00009 2.09808 A52 2.10746 0.00017 0.00055 0.00068 0.00122 2.10868 A53 2.07712 -0.00019 -0.00057 -0.00060 -0.00117 2.07595 D1 -3.10390 -0.00027 -0.00137 0.00177 0.00040 -3.10349 D2 1.09795 -0.00026 -0.00174 0.00236 0.00063 1.09858 D3 -0.98922 -0.00026 -0.00098 0.00145 0.00047 -0.98875 D4 -1.04032 0.00028 -0.00130 0.00401 0.00271 -1.03761 D5 -3.12166 0.00028 -0.00167 0.00460 0.00293 -3.11873 D6 1.07437 0.00028 -0.00091 0.00369 0.00277 1.07714 D7 1.01226 -0.00001 0.00268 -0.00032 0.00237 1.01463 D8 -1.06908 -0.00000 0.00231 0.00028 0.00259 -1.06649 D9 3.12694 -0.00000 0.00307 -0.00063 0.00243 3.12937 D10 -1.06844 -0.00000 0.00151 0.00003 0.00152 -1.06691 D11 3.09235 0.00009 -0.00049 0.00005 -0.00045 3.09190 D12 1.09363 -0.00007 -0.00124 0.00170 0.00046 1.09409 D13 1.44122 -0.00009 -0.00690 -0.00675 -0.01365 1.42757 D14 -1.67663 -0.00007 0.00017 -0.00854 -0.00838 -1.68500 D15 -2.71492 -0.00008 -0.00773 -0.00422 -0.01195 -2.72686 D16 0.45042 -0.00007 -0.00066 -0.00601 -0.00667 0.44374 D17 -0.65753 -0.00001 -0.00968 -0.00393 -0.01361 -0.67114 D18 2.50781 0.00001 -0.00261 -0.00572 -0.00834 2.49947 D19 3.07618 -0.00014 -0.00915 -0.01523 -0.02438 3.05180 D20 -0.04259 0.00005 -0.01486 0.00379 -0.01108 -0.05367 D21 -0.16996 -0.00030 -0.00845 -0.02129 -0.02973 -0.19969 D22 2.99445 -0.00011 -0.01415 -0.00227 -0.01643 2.97802 D23 -0.18543 -0.00014 0.00121 -0.01068 -0.00947 -0.19490 D24 2.99193 -0.00002 -0.00244 -0.00126 -0.00370 2.98824 D25 2.85158 -0.00031 0.00196 -0.01673 -0.01477 2.83681 D26 -0.25424 -0.00018 -0.00169 -0.00731 -0.00900 -0.26324 D27 -3.13252 0.00011 -0.00611 0.01191 0.00580 -3.12672 D28 -0.01473 -0.00009 -0.00013 -0.00794 -0.00807 -0.02280 D29 3.11044 -0.00008 0.00036 -0.00880 -0.00845 3.10199 D30 -0.01817 -0.00007 0.00002 -0.00799 -0.00798 -0.02615 D31 -0.00818 0.00012 -0.00537 0.01038 0.00501 -0.00316 D32 -3.13679 0.00013 -0.00572 0.01119 0.00548 -3.13131 D33 -3.10637 0.00007 0.00409 0.00149 0.00559 -3.10078 D34 0.03461 0.00004 0.00695 0.00211 0.00906 0.04367 D35 3.13219 0.00000 -0.00155 -0.00060 -0.00214 3.13005 D36 -0.03308 -0.00000 -0.00858 0.00121 -0.00737 -0.04045 D37 -0.00999 -0.00003 0.00115 -0.00002 0.00114 -0.00884 D38 3.10793 -0.00003 -0.00588 0.00179 -0.00409 3.10384 D39 3.12829 0.00001 -0.00411 0.00346 -0.00064 3.12765 D40 -0.02375 -0.00005 -0.00139 -0.00245 -0.00384 -0.02759 D41 0.01129 0.00003 0.00318 0.00164 0.00482 0.01611 D42 -3.14075 -0.00003 0.00590 -0.00428 0.00163 -3.13913 D43 0.00935 -0.00009 0.00364 -0.00700 -0.00336 0.00599 D44 3.13840 -0.00010 0.00398 -0.00780 -0.00382 3.13457 D45 -3.12116 -0.00002 0.00075 -0.00073 0.00002 -3.12114 D46 0.00789 -0.00004 0.00109 -0.00154 -0.00045 0.00745 D47 2.67455 -0.00005 0.01067 -0.00183 0.00884 2.68339 D48 -0.49659 -0.00010 0.01163 -0.00283 0.00880 -0.48779 D49 -0.43222 0.00008 0.00714 0.00733 0.01447 -0.41775 D50 2.67983 0.00003 0.00809 0.00634 0.01443 2.69426 D51 3.13281 0.00001 0.00100 -0.00117 -0.00017 3.13263 D52 -0.00673 -0.00000 0.00016 0.00027 0.00043 -0.00630 D53 0.01960 0.00004 0.00010 -0.00025 -0.00015 0.01944 D54 -3.11994 0.00003 -0.00074 0.00119 0.00045 -3.11949 D55 -3.12010 -0.00000 -0.00067 0.00078 0.00012 -3.11999 D56 -0.01031 -0.00013 -0.00254 0.00106 -0.00149 -0.01180 D57 -0.00868 -0.00005 0.00032 -0.00025 0.00007 -0.00861 D58 3.10111 -0.00018 -0.00156 0.00003 -0.00154 3.09958 D59 -0.01490 -0.00001 -0.00037 0.00043 0.00006 -0.01484 D60 3.13142 -0.00002 -0.00030 0.00062 0.00032 3.13174 D61 3.12459 0.00001 0.00048 -0.00104 -0.00055 3.12404 D62 -0.01227 0.00000 0.00055 -0.00085 -0.00029 -0.01256 D63 -0.00082 -0.00002 0.00023 -0.00012 0.00011 -0.00071 D64 -3.13595 0.00001 0.00060 0.00002 0.00062 -3.13533 D65 3.13603 -0.00002 0.00016 -0.00031 -0.00015 3.13588 D66 0.00090 0.00002 0.00053 -0.00017 0.00036 0.00126 D67 0.01171 0.00002 0.00018 -0.00037 -0.00019 0.01152 D68 -3.12389 0.00004 0.00141 -0.00161 -0.00021 -3.12409 D69 -3.13635 -0.00002 -0.00018 -0.00051 -0.00070 -3.13705 D70 0.01124 0.00001 0.00104 -0.00175 -0.00071 0.01053 D71 -0.00691 0.00002 -0.00046 0.00056 0.00010 -0.00681 D72 -3.11725 0.00014 0.00137 0.00027 0.00163 -3.11562 D73 3.12871 -0.00000 -0.00168 0.00180 0.00012 3.12883 D74 0.01837 0.00012 0.00015 0.00150 0.00165 0.02002 Item Value Threshold Converged? Maximum Force 0.000726 0.000450 NO RMS Force 0.000192 0.000300 YES Maximum Displacement 0.100919 0.001800 NO RMS Displacement 0.019067 0.001200 NO Predicted change in Energy=-2.122188D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.514264 -6.551583 1.291099 2 6 0 7.776526 -6.828961 2.092005 3 8 0 5.473296 -7.415037 1.641656 4 7 0 4.720364 -1.382548 2.080837 5 6 0 5.200093 -2.652458 1.891520 6 7 0 6.126109 -2.884846 1.036246 7 6 0 6.605925 -4.143329 0.819892 8 8 0 7.496342 -4.395469 0.060434 9 7 0 6.008693 -5.196056 1.534400 10 6 0 5.033305 -4.961172 2.432289 11 6 0 4.589957 -3.715543 2.657877 12 1 0 6.719244 -6.606586 0.233935 13 1 0 8.550815 -6.122019 1.826617 14 1 0 8.141764 -7.829430 1.875792 15 1 0 3.950363 -1.305148 2.703658 16 6 0 5.237824 -0.173099 1.613044 17 1 0 4.631295 -5.814097 2.936384 18 35 0 3.208430 -3.417824 3.919166 19 1 0 7.569404 -6.760678 3.154798 20 1 0 5.733012 -8.308289 1.461153 21 8 0 6.307690 -0.050717 1.117415 22 6 0 4.328687 1.000235 1.844428 23 6 0 4.922004 2.254318 1.947977 24 6 0 4.143538 3.378362 2.150318 25 6 0 2.763572 3.261403 2.233370 26 6 0 2.165013 2.019111 2.112843 27 6 0 2.945063 0.889710 1.922802 28 1 0 5.989012 2.332251 1.865776 29 1 0 4.608791 4.343132 2.238518 30 1 0 2.158073 4.136761 2.384993 31 1 0 1.095289 1.926912 2.160593 32 1 0 2.461245 -0.063308 1.807164 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520426 0.000000 3 O 1.397160 2.418919 0.000000 4 N 5.528172 6.245291 6.095138 0.000000 5 C 4.158212 4.911352 4.776947 1.370639 0.000000 6 N 3.696022 4.403924 4.616852 2.307420 1.281797 7 C 2.455631 3.193931 3.558401 3.573126 2.312454 8 O 2.669802 3.182399 3.963682 4.567907 3.415219 9 N 1.467055 2.470331 2.285176 4.062170 2.692816 10 C 2.454580 3.336119 2.615367 3.609432 2.377058 11 C 3.689737 4.490858 3.936908 2.406833 1.445585 12 H 1.078257 2.149353 2.046377 5.890428 4.548685 13 H 2.149150 1.081536 3.343237 6.099144 4.823837 14 H 2.150237 1.086778 2.710584 7.301391 5.954386 15 H 6.007828 6.747307 6.385759 0.993377 2.009138 16 C 6.512910 7.139671 7.245821 1.396195 2.495234 17 H 2.606994 3.411070 2.224476 4.514258 3.378051 18 Br 5.258871 5.986809 5.127805 3.131733 2.943443 19 H 2.151840 1.084939 2.666731 6.180186 4.907848 20 H 1.930101 2.600449 0.947594 7.026760 5.697161 21 O 6.506466 7.003706 7.429957 2.285073 2.931735 22 C 7.881172 8.558341 8.495178 2.426305 3.755494 23 C 8.972774 9.522342 9.689901 3.644874 4.914975 24 C 10.245116 10.834732 10.886893 4.796229 6.128138 25 C 10.547524 11.267881 11.030825 5.041685 6.405252 26 C 9.646141 10.477494 10.008491 4.254659 5.575325 27 C 8.277142 9.107664 8.685610 2.887876 4.199178 28 H 8.917884 9.336712 9.763494 3.931342 5.046820 29 H 11.100596 11.613426 11.805005 5.728937 7.029106 30 H 11.593692 12.324768 12.041067 6.092669 7.455931 31 H 10.099811 11.014034 10.329969 4.909181 6.155684 32 H 7.667529 8.608566 7.946557 2.630383 3.769895 6 7 8 9 10 6 N 0.000000 7 C 1.364116 0.000000 8 O 2.260913 1.197161 0.000000 9 N 2.367200 1.405504 2.242011 0.000000 10 C 2.730254 2.396210 3.465872 1.346387 0.000000 11 C 2.383172 2.761397 3.956777 2.338147 1.341282 12 H 3.853163 2.534526 2.350111 2.045895 3.222195 13 H 4.121064 2.951492 2.685571 2.721246 3.753302 14 H 5.405240 4.130505 3.937535 3.406053 4.266041 15 H 3.163792 4.319242 5.395432 4.554455 3.822685 16 C 2.911239 4.273583 5.033876 5.082373 4.861957 17 H 3.798092 3.342180 4.300243 2.060281 1.069208 18 Br 4.136200 4.655624 5.850795 4.085425 2.814764 19 H 4.646873 3.637388 3.895464 2.740355 3.192496 20 H 5.454247 4.303497 4.514588 3.125278 3.554700 21 O 2.841100 4.114236 4.626767 5.170860 5.240756 22 C 4.356344 5.717669 6.506174 6.427485 6.031620 23 C 5.356503 6.711039 7.376293 7.540558 7.232582 24 C 6.663295 8.025535 8.720169 8.796522 8.391604 25 C 7.107471 8.461185 9.260046 9.085593 8.532409 26 C 6.395164 7.705133 8.589661 8.195554 7.553376 27 C 5.015208 6.320586 7.219119 6.824459 6.233230 28 H 5.284413 6.588444 7.126958 7.535623 7.377556 29 H 7.482738 8.832953 9.457544 9.667038 9.315998 30 H 8.177248 9.528527 10.329552 10.131745 9.541571 31 H 7.051689 8.307371 9.238866 8.675848 7.938986 32 H 4.688990 5.899123 6.868107 6.245310 5.567347 11 12 13 14 15 11 C 0.000000 12 H 4.332146 0.000000 13 H 4.708557 2.475095 0.000000 14 H 5.490998 2.492911 1.756415 0.000000 15 H 2.494230 6.470817 6.718304 7.798683 0.000000 16 C 3.749709 6.744353 6.812574 8.192759 2.031878 17 H 2.117358 3.505823 4.085221 4.184472 4.566011 18 Br 1.894230 6.006243 6.342910 6.926430 2.547808 19 H 4.289158 3.045974 1.770626 1.762295 6.562301 20 H 4.881807 2.318299 3.585158 2.490646 7.332506 21 O 4.330656 6.627921 6.511166 8.027910 3.105922 22 C 4.792549 8.134628 8.279685 9.617875 2.489216 23 C 6.021084 9.202371 9.129404 10.585558 3.766289 24 C 7.126036 10.488372 10.477886 11.902763 4.720038 25 C 7.224519 10.817684 11.032055 12.331237 4.741628 26 C 6.250093 9.933476 10.350767 11.522651 3.819323 27 C 4.945136 8.561026 8.977642 10.150434 2.537275 28 H 6.257843 9.115863 8.833971 10.387214 4.253094 29 H 8.069601 11.329990 11.190558 12.680092 5.705519 30 H 8.224792 11.868060 12.100475 13.388561 5.738312 31 H 6.655621 10.400071 10.976415 12.038278 4.346559 32 H 4.312070 7.963674 8.590182 9.622145 2.136198 16 17 18 19 20 16 C 0.000000 17 H 5.825802 0.000000 18 Br 4.468208 2.955086 0.000000 19 H 7.156078 3.094543 5.547704 0.000000 20 H 8.151662 3.100174 6.027603 2.938685 0.000000 21 O 1.185428 6.271802 5.365877 7.125056 8.284679 22 C 1.502259 6.907899 5.007870 8.511820 9.421659 23 C 2.470683 8.133928 6.244607 9.472871 10.604876 24 C 3.754863 9.238891 7.084588 10.749216 11.814363 25 C 4.278146 9.292326 6.903035 11.152899 11.969615 26 C 3.807591 8.253479 5.823382 10.362325 10.945798 27 C 2.546030 6.986541 4.754964 9.023900 9.622316 28 H 2.627725 8.327820 6.709055 9.318829 10.651308 29 H 4.602526 10.181200 8.063376 11.528199 12.725039 30 H 5.353099 10.268420 7.780019 12.191360 12.981254 31 H 4.676586 8.545667 6.010337 10.880111 11.258643 32 H 2.785522 6.249467 4.033810 8.530192 8.877156 21 22 23 24 25 21 O 0.000000 22 C 2.355738 0.000000 23 C 2.814808 1.391212 0.000000 24 C 4.184378 2.404856 1.382181 0.000000 25 C 4.977577 2.777363 2.398853 1.387402 0.000000 26 C 4.736753 2.406582 2.771912 2.400735 1.384229 27 C 3.583339 1.390242 2.402308 2.771551 2.398816 28 H 2.517963 2.128709 1.073004 2.140346 3.376672 29 H 4.842420 3.377680 2.132055 1.074719 2.138924 30 H 6.030012 3.852476 3.372519 2.138297 1.075114 31 H 5.671716 3.378395 3.846575 3.376186 2.137599 32 H 3.907820 2.149384 3.383275 3.846161 3.365525 26 27 28 29 30 26 C 0.000000 27 C 1.385690 0.000000 28 H 3.844745 3.368947 0.000000 29 H 3.374747 3.846269 2.467304 0.000000 30 H 2.135078 3.372879 4.266372 2.463749 0.000000 31 H 1.074751 2.134009 4.919323 4.264842 2.462377 32 H 2.125478 1.075033 4.264655 4.920846 4.250456 31 32 31 H 0.000000 32 H 2.439615 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.498371 -0.704692 -0.343146 2 6 0 -5.114639 -1.101202 0.989029 3 8 0 -4.992029 0.518718 -0.803176 4 7 0 0.997166 -0.240060 0.036169 5 6 0 -0.364598 -0.380788 -0.030525 6 7 0 -0.898707 -1.532297 -0.208729 7 6 0 -2.250636 -1.692374 -0.295184 8 8 0 -2.789153 -2.754179 -0.420741 9 7 0 -3.045210 -0.534572 -0.235280 10 6 0 -2.492158 0.679144 -0.051477 11 6 0 -1.163168 0.820674 0.061627 12 1 0 -4.652764 -1.480883 -1.075489 13 1 0 -4.686019 -2.031042 1.337458 14 1 0 -6.186156 -1.242849 0.875576 15 1 0 1.327647 0.694817 0.096043 16 6 0 1.974462 -1.230584 0.150691 17 1 0 -3.163552 1.510466 -0.014889 18 35 0 -0.413525 2.542687 0.308232 19 1 0 -4.946737 -0.323509 1.726657 20 1 0 -5.928134 0.449839 -0.933167 21 8 0 1.748193 -2.367668 0.397840 22 6 0 3.375929 -0.715349 -0.014254 23 6 0 4.394325 -1.431018 0.607162 24 6 0 5.708173 -1.018776 0.487647 25 6 0 6.017966 0.102385 -0.268601 26 6 0 5.011744 0.808680 -0.904804 27 6 0 3.692780 0.404058 -0.775377 28 1 0 4.142206 -2.305440 1.175633 29 1 0 6.489282 -1.570846 0.977655 30 1 0 7.040687 0.419286 -0.365992 31 1 0 5.249800 1.668180 -1.504537 32 1 0 2.927450 0.950515 -1.296290 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5035404 0.1429611 0.1153108 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1893.1679418169 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= 339 RedAO= T EigKep= 4.32D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 0.000276 0.000075 -0.000482 Ang= 0.06 deg. 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) = -3457.12288531 A.U. after 12 cycles NFock= 12 Conv=0.99D-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 0.000105409 0.000056686 -0.000162760 2 6 -0.000079254 0.000159488 -0.000059829 3 8 0.000247658 -0.000670642 -0.000071401 4 7 -0.000026027 0.000004440 -0.000236755 5 6 -0.000904560 0.000071435 -0.000572759 6 7 -0.000026297 0.000233934 0.000405836 7 6 0.000466584 -0.000226240 -0.000695081 8 8 -0.000419645 -0.000218285 0.000456783 9 7 0.000753097 0.000261300 0.000177754 10 6 -0.000437064 0.000087097 -0.000087958 11 6 0.000094235 0.000170809 0.000467983 12 1 0.000027982 0.000103593 0.000033660 13 1 -0.000109166 -0.000077931 0.000038350 14 1 -0.000173535 0.000154502 -0.000000896 15 1 0.000243039 -0.000109064 0.000259620 16 6 0.000546728 0.000162544 0.000425554 17 1 0.000024795 0.000066206 0.000015743 18 35 0.000363335 -0.000026939 -0.000275429 19 1 0.000014545 -0.000020627 -0.000064292 20 1 -0.000212740 0.000155230 0.000124171 21 8 -0.000255996 -0.000244894 0.000149011 22 6 -0.000079947 -0.000124616 -0.000208407 23 6 -0.000188126 -0.000096053 -0.000134627 24 6 -0.000169432 -0.000146364 -0.000039151 25 6 0.000218021 0.000013434 -0.000010577 26 6 0.000055287 -0.000196344 0.000014328 27 6 -0.000034066 0.000282452 0.000218180 28 1 0.000084750 -0.000030617 0.000021814 29 1 0.000078385 0.000088532 0.000008283 30 1 -0.000073984 0.000074478 0.000023373 31 1 -0.000097007 0.000019719 0.000027646 32 1 -0.000037003 0.000022738 -0.000248166 ------------------------------------------------------------------- Cartesian Forces: Max 0.000904560 RMS 0.000250491 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000555922 RMS 0.000160465 Search for a local minimum. Step number 30 out of a maximum of 170 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 15 23 22 26 27 28 29 30 DE= -2.11D-05 DEPred=-2.12D-05 R= 9.92D-01 TightC=F SS= 1.41D+00 RLast= 6.48D-02 DXNew= 4.1735D-01 1.9446D-01 Trust test= 9.92D-01 RLast= 6.48D-02 DXMaxT set to 2.48D-01 ITU= 1 1 0 1 0 0 -1 -1 0 0 0 0 0 0 -1 0 1 1 1 1 ITU= 1 1 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00267 0.00287 0.00414 0.00621 0.01331 Eigenvalues --- 0.01501 0.01550 0.01698 0.01723 0.01823 Eigenvalues --- 0.01917 0.01980 0.02105 0.02110 0.02115 Eigenvalues --- 0.02130 0.02134 0.02399 0.02469 0.02548 Eigenvalues --- 0.02608 0.02713 0.04164 0.04870 0.05565 Eigenvalues --- 0.05672 0.05925 0.06696 0.07267 0.08802 Eigenvalues --- 0.13911 0.15609 0.15737 0.15890 0.15939 Eigenvalues --- 0.15998 0.16010 0.16027 0.16107 0.16178 Eigenvalues --- 0.16548 0.18552 0.20309 0.21939 0.22008 Eigenvalues --- 0.22067 0.23204 0.23283 0.23581 0.24388 Eigenvalues --- 0.24630 0.25084 0.25675 0.25865 0.27836 Eigenvalues --- 0.28026 0.29685 0.31474 0.33432 0.33737 Eigenvalues --- 0.33899 0.34235 0.34413 0.34963 0.35379 Eigenvalues --- 0.36387 0.38261 0.38373 0.38428 0.38439 Eigenvalues --- 0.38713 0.39115 0.39469 0.40477 0.42421 Eigenvalues --- 0.43521 0.44392 0.47554 0.48907 0.50651 Eigenvalues --- 0.50848 0.53901 0.55736 0.56105 0.56704 Eigenvalues --- 0.58240 0.64124 0.73332 0.88557 0.95418 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 30 29 28 27 26 RFO step: Lambda=-4.03958795D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.15096 0.49342 -0.29098 -0.45903 0.10563 Iteration 1 RMS(Cart)= 0.02357753 RMS(Int)= 0.00014114 Iteration 2 RMS(Cart)= 0.00025237 RMS(Int)= 0.00000706 Iteration 3 RMS(Cart)= 0.00000003 RMS(Int)= 0.00000706 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87319 -0.00037 0.00017 -0.00037 -0.00019 2.87300 R2 2.64025 0.00031 0.00035 0.00008 0.00043 2.64068 R3 2.77233 0.00009 0.00005 0.00031 0.00036 2.77270 R4 2.03761 -0.00003 0.00057 -0.00042 0.00016 2.03777 R5 2.04381 -0.00014 -0.00017 -0.00003 -0.00020 2.04361 R6 2.05371 -0.00020 0.00039 -0.00042 -0.00003 2.05368 R7 2.05024 -0.00007 0.00030 -0.00029 0.00002 2.05025 R8 1.79069 -0.00023 0.00081 -0.00072 0.00008 1.79078 R9 2.59013 -0.00031 0.00110 -0.00072 0.00038 2.59051 R10 1.87721 -0.00003 0.00019 0.00001 0.00020 1.87741 R11 2.63843 -0.00022 -0.00123 0.00098 -0.00025 2.63817 R12 2.42225 0.00004 -0.00003 0.00001 -0.00002 2.42223 R13 2.73176 -0.00024 -0.00030 -0.00043 -0.00072 2.73104 R14 2.57781 0.00031 -0.00006 0.00033 0.00026 2.57807 R15 2.26231 -0.00056 0.00101 -0.00099 0.00002 2.26233 R16 2.65602 -0.00027 0.00014 -0.00028 -0.00015 2.65587 R17 2.54430 0.00028 -0.00010 0.00037 0.00027 2.54458 R18 2.53466 -0.00003 0.00021 -0.00010 0.00012 2.53478 R19 2.02051 -0.00005 -0.00004 0.00001 -0.00003 2.02048 R20 3.57958 -0.00045 0.00182 -0.00231 -0.00049 3.57909 R21 2.24013 -0.00032 0.00091 -0.00078 0.00013 2.24026 R22 2.83886 0.00002 -0.00030 -0.00016 -0.00046 2.83840 R23 2.62901 -0.00018 -0.00069 0.00031 -0.00038 2.62863 R24 2.62718 0.00007 0.00052 -0.00034 0.00018 2.62735 R25 2.61194 -0.00004 0.00128 -0.00095 0.00033 2.61227 R26 2.02768 0.00008 -0.00023 0.00024 0.00001 2.02769 R27 2.62181 -0.00012 -0.00093 0.00057 -0.00037 2.62144 R28 2.03092 0.00011 -0.00015 0.00014 -0.00001 2.03091 R29 2.61581 0.00006 0.00124 -0.00081 0.00043 2.61624 R30 2.03167 0.00011 -0.00014 0.00013 -0.00001 2.03166 R31 2.61858 -0.00009 -0.00111 0.00076 -0.00035 2.61822 R32 2.03099 0.00010 -0.00018 0.00019 0.00000 2.03099 R33 2.03152 0.00002 0.00006 -0.00009 -0.00003 2.03149 A1 1.95372 -0.00018 -0.00137 0.00035 -0.00103 1.95269 A2 1.94691 -0.00031 0.00175 -0.00132 0.00043 1.94734 A3 1.92765 0.00013 0.00051 -0.00019 0.00030 1.92796 A4 1.84695 0.00043 -0.00184 0.00230 0.00047 1.84741 A5 1.93490 -0.00001 -0.00056 0.00039 -0.00018 1.93472 A6 1.84964 -0.00004 0.00162 -0.00155 0.00007 1.84971 A7 1.92394 0.00002 0.00031 0.00034 0.00065 1.92459 A8 1.92001 -0.00017 -0.00095 0.00009 -0.00086 1.91915 A9 1.92414 0.00003 -0.00061 0.00061 -0.00000 1.92414 A10 1.88843 0.00008 0.00026 -0.00018 0.00008 1.88850 A11 1.91336 -0.00000 0.00079 -0.00049 0.00030 1.91367 A12 1.89335 0.00004 0.00021 -0.00040 -0.00018 1.89316 A13 1.90770 0.00032 -0.00050 0.00100 0.00051 1.90820 A14 2.01539 0.00008 0.00039 0.00060 0.00098 2.01637 A15 2.24796 -0.00040 -0.00114 -0.00121 -0.00236 2.24560 A16 2.01513 0.00030 0.00046 -0.00004 0.00041 2.01554 A17 2.10946 -0.00008 -0.00033 -0.00066 -0.00099 2.10847 A18 2.04925 0.00009 0.00048 0.00035 0.00082 2.05007 A19 2.12389 -0.00001 -0.00014 0.00039 0.00024 2.12413 A20 2.12609 0.00006 -0.00022 0.00013 -0.00012 2.12598 A21 2.16101 0.00045 -0.00161 0.00205 0.00045 2.16146 A22 2.04982 -0.00011 0.00008 -0.00019 -0.00014 2.04967 A23 2.07236 -0.00034 0.00154 -0.00186 -0.00031 2.07204 A24 2.05028 -0.00032 0.00042 -0.00027 0.00014 2.05042 A25 2.11934 0.00030 -0.00053 0.00047 -0.00008 2.11926 A26 2.11319 0.00002 -0.00011 -0.00002 -0.00017 2.11303 A27 2.11021 0.00001 -0.00040 0.00046 0.00006 2.11028 A28 2.03491 0.00003 -0.00065 0.00069 0.00004 2.03495 A29 2.13797 -0.00004 0.00107 -0.00115 -0.00008 2.13789 A30 2.04236 0.00003 0.00039 -0.00049 -0.00009 2.04227 A31 2.14747 -0.00009 0.00030 -0.00061 -0.00031 2.14716 A32 2.09327 0.00006 -0.00070 0.00111 0.00041 2.09368 A33 2.17003 -0.00039 -0.00037 -0.00038 -0.00075 2.16928 A34 1.98306 0.00030 0.00051 0.00003 0.00054 1.98359 A35 2.12933 0.00010 -0.00011 0.00033 0.00021 2.12955 A36 2.04590 -0.00025 0.00053 -0.00024 0.00029 2.04619 A37 2.15183 0.00033 -0.00054 0.00016 -0.00038 2.15145 A38 2.08508 -0.00009 0.00001 0.00010 0.00011 2.08519 A39 2.09876 0.00007 0.00009 -0.00010 -0.00001 2.09875 A40 2.07586 -0.00007 0.00033 -0.00024 0.00009 2.07595 A41 2.10856 -0.00000 -0.00042 0.00033 -0.00008 2.10848 A42 2.09486 0.00002 -0.00021 0.00017 -0.00004 2.09482 A43 2.09236 -0.00004 -0.00025 0.00003 -0.00022 2.09214 A44 2.09595 0.00002 0.00046 -0.00020 0.00026 2.09621 A45 2.09502 -0.00003 -0.00008 0.00008 0.00000 2.09502 A46 2.09437 0.00003 0.00028 -0.00006 0.00021 2.09459 A47 2.09377 -0.00000 -0.00020 -0.00002 -0.00021 2.09356 A48 2.09439 -0.00004 0.00017 -0.00016 0.00001 2.09440 A49 2.09845 -0.00001 -0.00035 0.00016 -0.00019 2.09827 A50 2.09033 0.00005 0.00017 0.00001 0.00018 2.09050 A51 2.09808 0.00006 0.00001 -0.00007 -0.00006 2.09802 A52 2.10868 -0.00002 0.00007 -0.00059 -0.00052 2.10817 A53 2.07595 -0.00005 -0.00016 0.00072 0.00057 2.07652 D1 -3.10349 -0.00010 0.00038 -0.00176 -0.00138 -3.10487 D2 1.09858 -0.00010 0.00046 -0.00181 -0.00135 1.09723 D3 -0.98875 -0.00007 0.00117 -0.00175 -0.00058 -0.98933 D4 -1.03761 0.00011 -0.00168 0.00050 -0.00119 -1.03880 D5 -3.11873 0.00011 -0.00160 0.00045 -0.00115 -3.11988 D6 1.07714 0.00015 -0.00089 0.00051 -0.00038 1.07675 D7 1.01463 -0.00005 0.00175 -0.00238 -0.00064 1.01399 D8 -1.06649 -0.00005 0.00183 -0.00243 -0.00060 -1.06709 D9 3.12937 -0.00002 0.00254 -0.00237 0.00017 3.12954 D10 -1.06691 -0.00007 0.00030 0.00083 0.00113 -1.06578 D11 3.09190 0.00014 0.00014 0.00075 0.00089 3.09280 D12 1.09409 -0.00004 -0.00048 0.00112 0.00065 1.09474 D13 1.42757 0.00006 -0.00550 0.00468 -0.00082 1.42675 D14 -1.68500 0.00001 0.00559 -0.00249 0.00310 -1.68190 D15 -2.72686 -0.00007 -0.00734 0.00581 -0.00153 -2.72839 D16 0.44374 -0.00011 0.00375 -0.00135 0.00240 0.44614 D17 -0.67114 0.00010 -0.00809 0.00662 -0.00148 -0.67262 D18 2.49947 0.00006 0.00300 -0.00054 0.00245 2.50192 D19 3.05180 0.00017 -0.01891 0.00235 -0.01656 3.03524 D20 -0.05367 -0.00015 -0.01862 0.00004 -0.01857 -0.07224 D21 -0.19969 -0.00003 -0.02211 -0.00517 -0.02729 -0.22698 D22 2.97802 -0.00034 -0.02183 -0.00747 -0.02930 2.94872 D23 -0.19490 -0.00000 -0.00679 -0.00285 -0.00963 -0.20453 D24 2.98824 -0.00015 -0.00731 -0.00235 -0.00966 2.97858 D25 2.83681 -0.00021 -0.01000 -0.01033 -0.02033 2.81648 D26 -0.26324 -0.00036 -0.01052 -0.00983 -0.02035 -0.28359 D27 -3.12672 -0.00023 -0.00295 -0.00116 -0.00411 -3.13082 D28 -0.02280 0.00010 -0.00324 0.00123 -0.00200 -0.02480 D29 3.10199 0.00021 -0.00454 0.00473 0.00020 3.10219 D30 -0.02615 0.00017 -0.00415 0.00348 -0.00066 -0.02682 D31 -0.00316 -0.00011 -0.00424 0.00243 -0.00180 -0.00496 D32 -3.13131 -0.00015 -0.00386 0.00119 -0.00267 -3.13397 D33 -3.10078 0.00001 0.00759 -0.00378 0.00381 -3.09697 D34 0.04367 -0.00008 0.01206 -0.00666 0.00539 0.04905 D35 3.13005 0.00004 -0.00291 0.00163 -0.00129 3.12875 D36 -0.04045 0.00009 -0.01398 0.00878 -0.00520 -0.04566 D37 -0.00884 -0.00005 0.00132 -0.00111 0.00020 -0.00865 D38 3.10384 -0.00000 -0.00976 0.00604 -0.00371 3.10013 D39 3.12765 -0.00006 -0.00455 0.00207 -0.00250 3.12514 D40 -0.02759 0.00006 -0.00393 0.00307 -0.00087 -0.02846 D41 0.01611 -0.00010 0.00689 -0.00534 0.00156 0.01767 D42 -3.13913 0.00002 0.00752 -0.00434 0.00319 -3.13594 D43 0.00599 0.00011 0.00218 -0.00026 0.00192 0.00791 D44 3.13457 0.00015 0.00182 0.00093 0.00276 3.13733 D45 -3.12114 -0.00001 0.00153 -0.00133 0.00019 -3.12094 D46 0.00745 0.00002 0.00116 -0.00014 0.00103 0.00847 D47 2.68339 0.00002 -0.00455 -0.00069 -0.00525 2.67814 D48 -0.48779 0.00001 -0.00455 -0.00015 -0.00470 -0.49248 D49 -0.41775 -0.00011 -0.00506 -0.00019 -0.00525 -0.42300 D50 2.69426 -0.00013 -0.00505 0.00036 -0.00470 2.68956 D51 3.13263 0.00004 0.00053 -0.00002 0.00050 3.13314 D52 -0.00630 -0.00000 -0.00004 0.00066 0.00061 -0.00569 D53 0.01944 0.00004 0.00053 -0.00055 -0.00002 0.01943 D54 -3.11949 0.00000 -0.00004 0.00014 0.00010 -3.11940 D55 -3.11999 -0.00004 0.00010 -0.00122 -0.00112 -3.12111 D56 -0.01180 -0.00012 -0.00231 0.00084 -0.00147 -0.01327 D57 -0.00861 -0.00006 0.00011 -0.00067 -0.00056 -0.00917 D58 3.09958 -0.00013 -0.00230 0.00139 -0.00091 3.09866 D59 -0.01484 -0.00000 -0.00073 0.00121 0.00048 -0.01436 D60 3.13174 -0.00002 -0.00052 0.00070 0.00018 3.13193 D61 3.12404 0.00004 -0.00015 0.00052 0.00037 3.12441 D62 -0.01256 0.00002 0.00007 0.00000 0.00007 -0.01249 D63 -0.00071 -0.00003 0.00029 -0.00066 -0.00037 -0.00108 D64 -3.13533 -0.00001 0.00071 -0.00098 -0.00027 -3.13560 D65 3.13588 -0.00001 0.00007 -0.00015 -0.00008 3.13580 D66 0.00126 0.00001 0.00050 -0.00047 0.00003 0.00129 D67 0.01152 0.00001 0.00036 -0.00056 -0.00020 0.01132 D68 -3.12409 0.00004 0.00166 -0.00205 -0.00039 -3.12448 D69 -3.13705 -0.00000 -0.00007 -0.00023 -0.00030 -3.13735 D70 0.01053 0.00002 0.00123 -0.00173 -0.00049 0.01004 D71 -0.00681 0.00003 -0.00056 0.00123 0.00067 -0.00614 D72 -3.11562 0.00010 0.00181 -0.00077 0.00103 -3.11458 D73 3.12883 0.00001 -0.00186 0.00271 0.00085 3.12969 D74 0.02002 0.00008 0.00051 0.00071 0.00122 0.02124 Item Value Threshold Converged? Maximum Force 0.000556 0.000450 NO RMS Force 0.000160 0.000300 YES Maximum Displacement 0.110969 0.001800 NO RMS Displacement 0.023614 0.001200 NO Predicted change in Energy=-1.852094D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.508289 -6.552027 1.289035 2 6 0 7.782007 -6.823583 2.073437 3 8 0 5.475264 -7.418019 1.657287 4 7 0 4.714111 -1.384396 2.089857 5 6 0 5.192355 -2.654506 1.896707 6 7 0 6.104958 -2.887168 1.027222 7 6 0 6.586896 -4.144751 0.809488 8 8 0 7.468133 -4.396983 0.039409 9 7 0 6.001953 -5.196993 1.534641 10 6 0 5.040460 -4.961535 2.447461 11 6 0 4.598370 -3.716106 2.676963 12 1 0 6.698548 -6.610297 0.229213 13 1 0 8.551475 -6.116586 1.794922 14 1 0 8.145544 -7.824320 1.855683 15 1 0 3.944440 -1.306886 2.713240 16 6 0 5.241523 -0.175047 1.633458 17 1 0 4.649195 -5.813681 2.961203 18 35 0 3.239922 -3.416513 3.962261 19 1 0 7.589309 -6.752117 3.138740 20 1 0 5.735457 -8.311239 1.477074 21 8 0 6.320483 -0.054256 1.157374 22 6 0 4.330712 0.999502 1.850033 23 6 0 4.924427 2.251468 1.972496 24 6 0 4.144218 3.376525 2.163347 25 6 0 2.762735 3.262346 2.216401 26 6 0 2.164061 2.021832 2.076989 27 6 0 2.945380 0.891763 1.897811 28 1 0 5.993134 2.327351 1.913774 29 1 0 4.609843 4.339665 2.266108 30 1 0 2.155871 4.138217 2.359315 31 1 0 1.093358 1.932009 2.101871 32 1 0 2.462570 -0.059673 1.766180 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.520325 0.000000 3 O 1.397387 2.418180 0.000000 4 N 5.528543 6.244758 6.096808 0.000000 5 C 4.158319 4.911083 4.777909 1.370840 0.000000 6 N 3.696270 4.404819 4.617587 2.306940 1.281788 7 C 2.455834 3.194057 3.559322 3.572985 2.312492 8 O 2.669659 3.181851 3.964305 4.567784 3.415399 9 N 1.467247 2.470767 2.285913 4.062351 2.692727 10 C 2.454819 3.335146 2.616819 3.609751 2.376717 11 C 3.690065 4.489566 3.938635 2.407272 1.445203 12 H 1.078340 2.149544 2.046517 5.891521 4.549443 13 H 2.149451 1.081433 3.343014 6.099669 4.824940 14 H 2.149517 1.086761 2.708290 7.300835 5.953989 15 H 6.009425 6.750572 6.387833 0.993483 2.010000 16 C 6.510698 7.130965 7.246781 1.396062 2.493879 17 H 2.607208 3.409185 2.226317 4.514645 3.377656 18 Br 5.259259 5.983838 5.130469 3.131873 2.942646 19 H 2.151755 1.084947 2.665955 6.178944 4.906980 20 H 1.930662 2.599449 0.947639 7.028499 5.698217 21 O 6.501817 6.985629 7.428951 2.284563 2.929264 22 C 7.879223 8.553479 8.497165 2.426413 3.754515 23 C 8.970912 9.514858 9.690292 3.643833 4.913870 24 C 10.243504 10.829764 10.888065 4.795472 6.127236 25 C 10.545667 11.266743 11.033613 5.041438 6.404249 26 C 9.643871 10.478678 10.012543 4.255034 5.574155 27 C 8.274958 9.107709 8.689686 2.888978 4.198204 28 H 8.916223 9.325511 9.762490 3.929882 5.045834 29 H 11.098996 11.606802 11.805200 5.727724 7.028102 30 H 11.591823 12.324618 12.043995 6.092328 7.454886 31 H 10.097576 11.018132 10.335462 4.910045 6.154672 32 H 7.664605 8.610534 7.951946 2.632318 3.768544 6 7 8 9 10 6 N 0.000000 7 C 1.364254 0.000000 8 O 2.261319 1.197173 0.000000 9 N 2.367146 1.405425 2.241745 0.000000 10 C 2.730061 2.396154 3.465693 1.346532 0.000000 11 C 2.382980 2.761419 3.956744 2.338369 1.341346 12 H 3.853681 2.535370 2.350967 2.046171 3.223088 13 H 4.123585 2.952759 2.685608 2.722767 3.753289 14 H 5.406090 4.130755 3.937559 3.406009 4.264655 15 H 3.163509 4.319760 5.395785 4.555808 3.824704 16 C 2.910093 4.271709 5.032248 5.080153 4.859371 17 H 3.797896 3.342139 4.300038 2.060421 1.069192 18 Br 4.135589 4.655378 5.850458 4.085617 2.814898 19 H 4.647542 3.637115 3.894508 2.740665 3.190718 20 H 5.455222 4.304677 4.515579 3.126158 3.556007 21 O 2.844078 4.113897 4.628847 5.166385 5.232988 22 C 4.350997 5.712831 6.499525 6.425657 6.032796 23 C 5.356564 6.710292 7.376257 7.538724 7.229555 24 C 6.661015 8.023042 8.717049 8.794979 8.390900 25 C 7.099375 8.453916 9.249075 9.083928 8.536606 26 C 6.382081 7.693814 8.572404 8.193595 7.561636 27 C 5.002117 6.309640 7.202762 6.822571 6.241199 28 H 5.290528 6.592428 7.134811 7.533895 7.370228 29 H 7.483136 8.832655 9.458173 9.665447 9.312929 30 H 8.168586 9.520689 10.317545 10.130083 9.546419 31 H 7.035302 8.293143 9.216705 8.674026 7.951100 32 H 4.669880 5.883298 6.844682 6.242828 5.580136 11 12 13 14 15 11 C 0.000000 12 H 4.333425 0.000000 13 H 4.708220 2.475588 0.000000 14 H 5.489478 2.492600 1.756367 0.000000 15 H 2.496654 6.471605 6.723191 7.801386 0.000000 16 C 3.747218 6.745907 6.803215 8.184992 2.032096 17 H 2.117356 3.506881 4.084085 4.182021 4.568300 18 Br 1.893972 6.008161 6.340375 6.923263 2.550868 19 H 4.286761 3.046131 1.770737 1.762173 6.566328 20 H 4.883436 2.319032 3.584339 2.487761 7.334631 21 O 4.322495 6.632201 6.491197 8.012015 3.104091 22 C 4.795040 8.132819 8.273850 9.613158 2.492741 23 C 6.017851 9.204207 9.122025 10.578788 3.764434 24 C 7.125690 10.488187 10.472765 11.898075 4.719812 25 C 7.230523 10.812429 11.029575 12.329595 4.745646 26 C 6.261770 9.924188 10.349516 11.522753 3.828175 27 C 4.957006 8.552858 8.975291 10.149560 2.548941 28 H 6.249095 9.122330 8.823792 10.377507 4.247820 29 H 8.066249 11.331959 11.184439 12.674075 5.703177 30 H 8.231470 11.861863 12.098896 13.387760 5.742246 31 H 6.672109 10.387300 10.977140 12.040760 4.358082 32 H 4.331359 7.950878 8.588469 9.622575 2.156015 16 17 18 19 20 16 C 0.000000 17 H 5.823053 0.000000 18 Br 4.465068 2.955433 0.000000 19 H 7.143936 3.091351 5.542708 0.000000 20 H 8.152671 3.101677 6.030107 2.937476 0.000000 21 O 1.185496 6.262426 5.353692 7.099090 8.283854 22 C 1.502015 6.910542 5.015229 8.506869 9.423498 23 C 2.470521 8.130186 6.238809 9.461832 10.605376 24 C 3.754800 9.238585 7.085140 10.742878 11.815534 25 C 4.277837 9.299878 6.919747 11.155089 11.972116 26 C 3.807069 8.267587 5.855538 10.370285 10.949298 27 C 2.545632 6.999769 4.786434 9.029667 9.625840 28 H 2.627830 8.317432 6.690923 9.299734 10.650667 29 H 4.602379 10.177187 8.056793 11.518088 12.725367 30 H 5.352791 10.277121 7.798625 12.195456 12.983865 31 H 4.676149 8.566104 6.056028 10.894335 11.263374 32 H 2.784513 6.270408 4.086004 8.541440 8.881651 21 22 23 24 25 21 O 0.000000 22 C 2.355711 0.000000 23 C 2.815983 1.391012 0.000000 24 C 4.185495 2.404825 1.382353 0.000000 25 C 4.977847 2.777272 2.398807 1.387209 0.000000 26 C 4.736209 2.406459 2.771871 2.400765 1.384457 27 C 3.582529 1.390336 2.402291 2.771600 2.398859 28 H 2.520188 2.128590 1.073007 2.140454 3.376578 29 H 4.843772 3.377532 2.132074 1.074712 2.138901 30 H 6.030380 3.852380 3.372588 2.138248 1.075108 31 H 5.670993 3.378380 3.846541 3.376115 2.137693 32 H 3.905658 2.149148 3.382998 3.846185 3.365800 26 27 28 29 30 26 C 0.000000 27 C 1.385504 0.000000 28 H 3.844709 3.368972 0.000000 29 H 3.374902 3.846311 2.467194 0.000000 30 H 2.135149 3.372800 4.266420 2.463990 0.000000 31 H 1.074752 2.133949 4.919297 4.264909 2.462228 32 H 2.125646 1.075017 4.264335 4.920862 4.250665 31 32 31 H 0.000000 32 H 2.440128 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.495060 -0.713042 -0.350447 2 6 0 -5.109609 -1.113745 0.981152 3 8 0 -4.994084 0.509592 -0.807431 4 7 0 0.999107 -0.230716 0.032019 5 6 0 -0.362387 -0.374848 -0.037004 6 7 0 -0.892025 -1.527639 -0.220139 7 6 0 -2.243614 -1.692833 -0.304433 8 8 0 -2.778731 -2.756288 -0.430668 9 7 0 -3.042242 -0.537987 -0.243260 10 6 0 -2.493559 0.677096 -0.054398 11 6 0 -1.165154 0.822897 0.060887 12 1 0 -4.647330 -1.488224 -1.084424 13 1 0 -4.679053 -2.043179 1.327951 14 1 0 -6.180765 -1.257499 0.867088 15 1 0 1.328646 0.705242 0.080946 16 6 0 1.974726 -1.219170 0.173846 17 1 0 -3.167959 1.505791 -0.014120 18 35 0 -0.421612 2.545576 0.319058 19 1 0 -4.943830 -0.336830 1.720090 20 1 0 -5.930204 0.437951 -0.936138 21 8 0 1.746056 -2.347743 0.455684 22 6 0 3.376797 -0.712710 -0.009851 23 6 0 4.394418 -1.407718 0.635383 24 6 0 5.708922 -1.001633 0.500934 25 6 0 6.019648 0.092407 -0.293342 26 6 0 5.013806 0.777764 -0.953106 27 6 0 3.694624 0.379297 -0.809563 28 1 0 4.141533 -2.261630 1.233902 29 1 0 6.489413 -1.537705 1.009329 30 1 0 7.042633 0.404682 -0.402170 31 1 0 5.252762 1.616102 -1.581741 32 1 0 2.929406 0.907493 -1.349111 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5026490 0.1428105 0.1154158 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.9452275665 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= 339 RedAO= T EigKep= 4.32D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999999 0.001550 0.000071 -0.000503 Ang= 0.19 deg. 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) = -3457.12290620 A.U. after 12 cycles NFock= 12 Conv=0.74D-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 0.000007002 -0.000082315 -0.000177823 2 6 -0.000075999 0.000104329 -0.000073276 3 8 0.000164779 -0.000433460 -0.000103700 4 7 -0.000118622 -0.000243373 -0.000317133 5 6 -0.000425758 0.000226199 -0.000060549 6 7 0.000052901 0.000175755 0.000343750 7 6 0.000316005 -0.000295553 -0.000891029 8 8 -0.000415981 -0.000086478 0.000441667 9 7 0.000615266 0.000167835 0.000404553 10 6 -0.000303002 0.000041482 -0.000073072 11 6 -0.000090212 0.000007209 0.000291665 12 1 0.000034806 0.000143242 0.000103741 13 1 -0.000078956 -0.000012161 0.000031324 14 1 -0.000114561 0.000148645 0.000017566 15 1 0.000144806 -0.000067035 0.000212316 16 6 0.000473597 0.000363898 -0.000060994 17 1 0.000015720 0.000026343 0.000004625 18 35 0.000280729 -0.000053358 -0.000259620 19 1 0.000022970 0.000003381 -0.000076431 20 1 -0.000163857 0.000248436 0.000110388 21 8 -0.000245224 -0.000275111 0.000236135 22 6 -0.000072002 -0.000142936 -0.000028099 23 6 -0.000209523 0.000069388 -0.000142373 24 6 0.000009328 -0.000200484 -0.000046527 25 6 0.000060274 -0.000120953 -0.000015756 26 6 0.000052301 0.000005349 0.000030921 27 6 0.000042074 0.000128271 0.000213053 28 1 0.000094887 -0.000022208 0.000026350 29 1 0.000057177 0.000106281 0.000012106 30 1 -0.000058953 0.000089709 0.000033241 31 1 -0.000098996 0.000013870 -0.000016891 32 1 0.000027023 -0.000034196 -0.000170128 ------------------------------------------------------------------- Cartesian Forces: Max 0.000891029 RMS 0.000209781 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000572085 RMS 0.000124230 Search for a local minimum. Step number 31 out of a maximum of 170 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 15 23 22 26 27 28 29 30 31 DE= -2.09D-05 DEPred=-1.85D-05 R= 1.13D+00 TightC=F SS= 1.41D+00 RLast= 5.96D-02 DXNew= 4.1735D-01 1.7872D-01 Trust test= 1.13D+00 RLast= 5.96D-02 DXMaxT set to 2.48D-01 ITU= 1 1 1 0 1 0 0 -1 -1 0 0 0 0 0 0 -1 0 1 1 1 ITU= 1 1 1 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00265 0.00285 0.00385 0.00618 0.01332 Eigenvalues --- 0.01542 0.01570 0.01699 0.01722 0.01805 Eigenvalues --- 0.01922 0.01977 0.02099 0.02115 0.02115 Eigenvalues --- 0.02133 0.02156 0.02349 0.02473 0.02547 Eigenvalues --- 0.02594 0.02665 0.04248 0.05227 0.05561 Eigenvalues --- 0.05671 0.05950 0.06822 0.07295 0.08800 Eigenvalues --- 0.13934 0.15595 0.15804 0.15903 0.15977 Eigenvalues --- 0.15998 0.16010 0.16040 0.16074 0.16166 Eigenvalues --- 0.16569 0.18790 0.20137 0.21929 0.21990 Eigenvalues --- 0.22052 0.23255 0.23445 0.23581 0.24544 Eigenvalues --- 0.24634 0.25154 0.25527 0.26028 0.27917 Eigenvalues --- 0.27940 0.29865 0.31606 0.33240 0.33750 Eigenvalues --- 0.33895 0.34305 0.34493 0.34872 0.35217 Eigenvalues --- 0.35557 0.38314 0.38380 0.38427 0.38448 Eigenvalues --- 0.38617 0.39031 0.39701 0.41761 0.42394 Eigenvalues --- 0.43451 0.44345 0.47627 0.49289 0.50645 Eigenvalues --- 0.50714 0.52477 0.55656 0.56021 0.56462 Eigenvalues --- 0.58318 0.63382 0.73328 0.88518 0.93526 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 31 30 29 28 27 26 RFO step: Lambda=-2.35476355D-05. DidBck=F Rises=F RFO-DIIS coefs: 2.32253 -1.03358 -0.64616 0.08769 0.32249 RFO-DIIS coefs: -0.05298 Iteration 1 RMS(Cart)= 0.02606221 RMS(Int)= 0.00017055 Iteration 2 RMS(Cart)= 0.00033004 RMS(Int)= 0.00001183 Iteration 3 RMS(Cart)= 0.00000005 RMS(Int)= 0.00001183 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87300 -0.00030 0.00016 -0.00099 -0.00083 2.87217 R2 2.64068 0.00012 0.00016 -0.00019 -0.00003 2.64065 R3 2.77270 -0.00015 0.00174 -0.00154 0.00020 2.77290 R4 2.03777 -0.00010 0.00003 -0.00021 -0.00018 2.03759 R5 2.04361 -0.00007 -0.00011 -0.00005 -0.00017 2.04345 R6 2.05368 -0.00018 0.00011 -0.00033 -0.00021 2.05347 R7 2.05025 -0.00008 -0.00012 -0.00005 -0.00018 2.05008 R8 1.79078 -0.00030 -0.00012 -0.00028 -0.00040 1.79038 R9 2.59051 -0.00037 0.00027 -0.00036 -0.00008 2.59043 R10 1.87741 0.00002 -0.00000 0.00024 0.00024 1.87765 R11 2.63817 0.00001 0.00036 0.00012 0.00047 2.63865 R12 2.42223 0.00002 -0.00005 0.00010 0.00005 2.42228 R13 2.73104 -0.00006 -0.00104 0.00052 -0.00053 2.73051 R14 2.57807 0.00015 -0.00006 0.00004 -0.00002 2.57805 R15 2.26233 -0.00057 -0.00029 -0.00005 -0.00033 2.26200 R16 2.65587 -0.00020 0.00020 -0.00026 -0.00006 2.65581 R17 2.54458 0.00013 0.00025 -0.00030 -0.00005 2.54453 R18 2.53478 -0.00007 0.00026 -0.00015 0.00010 2.53488 R19 2.02048 -0.00002 -0.00014 0.00010 -0.00005 2.02044 R20 3.57909 -0.00039 -0.00124 0.00021 -0.00103 3.57806 R21 2.24026 -0.00035 -0.00016 0.00001 -0.00015 2.24011 R22 2.83840 -0.00004 -0.00033 -0.00033 -0.00066 2.83774 R23 2.62863 -0.00007 0.00022 -0.00035 -0.00013 2.62850 R24 2.62735 -0.00003 -0.00024 0.00002 -0.00021 2.62714 R25 2.61227 -0.00011 -0.00049 0.00035 -0.00015 2.61212 R26 2.02769 0.00009 -0.00009 0.00019 0.00010 2.02779 R27 2.62144 0.00001 0.00022 -0.00026 -0.00005 2.62140 R28 2.03091 0.00012 -0.00014 0.00030 0.00016 2.03107 R29 2.61624 -0.00003 -0.00047 0.00052 0.00005 2.61630 R30 2.03166 0.00011 -0.00013 0.00027 0.00014 2.03180 R31 2.61822 0.00001 0.00041 -0.00045 -0.00004 2.61818 R32 2.03099 0.00010 -0.00002 0.00017 0.00015 2.03114 R33 2.03149 0.00004 -0.00020 0.00023 0.00003 2.03151 A1 1.95269 0.00003 -0.00095 0.00117 0.00023 1.95292 A2 1.94734 -0.00031 0.00023 -0.00153 -0.00130 1.94604 A3 1.92796 0.00007 0.00026 0.00014 0.00041 1.92836 A4 1.84741 0.00022 0.00265 -0.00224 0.00040 1.84782 A5 1.93472 -0.00001 -0.00136 0.00201 0.00065 1.93538 A6 1.84971 -0.00000 -0.00075 0.00031 -0.00044 1.84927 A7 1.92459 -0.00002 0.00131 -0.00100 0.00031 1.92490 A8 1.91915 -0.00007 -0.00042 -0.00006 -0.00048 1.91867 A9 1.92414 0.00002 -0.00003 -0.00009 -0.00012 1.92402 A10 1.88850 0.00006 -0.00038 0.00060 0.00022 1.88873 A11 1.91367 -0.00001 -0.00002 0.00002 -0.00000 1.91366 A12 1.89316 0.00002 -0.00049 0.00057 0.00007 1.89323 A13 1.90820 0.00018 0.00021 0.00002 0.00023 1.90843 A14 2.01637 0.00009 0.00168 -0.00050 0.00111 2.01748 A15 2.24560 -0.00034 -0.00339 0.00002 -0.00343 2.24217 A16 2.01554 0.00024 0.00042 0.00020 0.00056 2.01610 A17 2.10847 -0.00022 -0.00195 -0.00029 -0.00224 2.10623 A18 2.05007 0.00021 0.00127 0.00043 0.00170 2.05177 A19 2.12413 0.00001 0.00065 -0.00011 0.00055 2.12468 A20 2.12598 0.00005 -0.00049 0.00043 -0.00002 2.12596 A21 2.16146 0.00032 0.00108 -0.00033 0.00073 2.16219 A22 2.04967 -0.00014 0.00030 -0.00086 -0.00052 2.04915 A23 2.07204 -0.00018 -0.00139 0.00119 -0.00021 2.07183 A24 2.05042 -0.00035 -0.00042 -0.00102 -0.00142 2.04899 A25 2.11926 0.00022 0.00100 -0.00016 0.00086 2.12012 A26 2.11303 0.00014 -0.00064 0.00127 0.00070 2.11372 A27 2.11028 -0.00004 0.00035 -0.00058 -0.00022 2.11005 A28 2.03495 0.00003 0.00107 -0.00075 0.00031 2.03526 A29 2.13789 0.00001 -0.00140 0.00133 -0.00008 2.13782 A30 2.04227 -0.00002 -0.00033 0.00002 -0.00031 2.04197 A31 2.14716 -0.00000 -0.00092 0.00050 -0.00043 2.14674 A32 2.09368 0.00002 0.00127 -0.00051 0.00075 2.09443 A33 2.16928 -0.00033 -0.00111 -0.00030 -0.00141 2.16787 A34 1.98359 0.00007 0.00105 -0.00104 0.00001 1.98360 A35 2.12955 0.00025 0.00000 0.00130 0.00130 2.13085 A36 2.04619 -0.00005 -0.00028 0.00080 0.00053 2.04672 A37 2.15145 0.00008 0.00028 -0.00098 -0.00070 2.15075 A38 2.08519 -0.00003 0.00002 0.00014 0.00016 2.08535 A39 2.09875 0.00003 0.00000 -0.00007 -0.00007 2.09869 A40 2.07595 -0.00004 -0.00031 0.00024 -0.00007 2.07588 A41 2.10848 0.00001 0.00031 -0.00017 0.00014 2.10861 A42 2.09482 0.00001 0.00008 -0.00014 -0.00006 2.09476 A43 2.09214 -0.00001 -0.00008 -0.00001 -0.00010 2.09205 A44 2.09621 -0.00000 0.00000 0.00016 0.00016 2.09637 A45 2.09502 -0.00000 -0.00003 0.00014 0.00011 2.09513 A46 2.09459 -0.00000 0.00022 -0.00012 0.00011 2.09469 A47 2.09356 0.00000 -0.00020 -0.00002 -0.00022 2.09334 A48 2.09440 -0.00005 0.00006 -0.00020 -0.00014 2.09426 A49 2.09827 0.00001 0.00013 -0.00020 -0.00008 2.09819 A50 2.09050 0.00005 -0.00018 0.00039 0.00022 2.09072 A51 2.09802 0.00004 -0.00012 0.00009 -0.00003 2.09799 A52 2.10817 -0.00008 0.00001 -0.00098 -0.00098 2.10719 A53 2.07652 0.00004 0.00010 0.00079 0.00089 2.07741 D1 -3.10487 -0.00000 -0.00248 0.00430 0.00182 -3.10306 D2 1.09723 -0.00002 -0.00256 0.00421 0.00165 1.09888 D3 -0.98933 -0.00001 -0.00166 0.00361 0.00194 -0.98738 D4 -1.03880 0.00009 0.00039 0.00122 0.00161 -1.03719 D5 -3.11988 0.00008 0.00031 0.00113 0.00144 -3.11844 D6 1.07675 0.00008 0.00121 0.00053 0.00173 1.07849 D7 1.01399 -0.00006 -0.00022 0.00074 0.00051 1.01450 D8 -1.06709 -0.00007 -0.00031 0.00065 0.00034 -1.06675 D9 3.12954 -0.00007 0.00059 0.00004 0.00064 3.13017 D10 -1.06578 -0.00009 0.00242 -0.00115 0.00127 -1.06451 D11 3.09280 0.00012 0.00098 0.00149 0.00247 3.09527 D12 1.09474 0.00001 0.00107 0.00138 0.00245 1.09718 D13 1.42675 0.00002 -0.00774 0.00329 -0.00446 1.42229 D14 -1.68190 -0.00006 -0.00983 0.00027 -0.00955 -1.69145 D15 -2.72839 0.00002 -0.00707 0.00239 -0.00468 -2.73307 D16 0.44614 -0.00007 -0.00916 -0.00062 -0.00977 0.43637 D17 -0.67262 0.00011 -0.00772 0.00378 -0.00395 -0.67656 D18 2.50192 0.00003 -0.00981 0.00077 -0.00904 2.49288 D19 3.03524 0.00010 -0.01670 0.00206 -0.01465 3.02059 D20 -0.07224 -0.00001 -0.01596 0.00098 -0.01498 -0.08723 D21 -0.22698 -0.00005 -0.03099 -0.00094 -0.03193 -0.25890 D22 2.94872 -0.00016 -0.03024 -0.00202 -0.03226 2.91646 D23 -0.20453 0.00000 -0.01007 -0.00044 -0.01051 -0.21504 D24 2.97858 -0.00004 -0.00863 0.00045 -0.00818 2.97039 D25 2.81648 -0.00015 -0.02428 -0.00347 -0.02774 2.78874 D26 -0.28359 -0.00020 -0.02284 -0.00258 -0.02542 -0.30901 D27 -3.13082 -0.00004 -0.00234 0.00109 -0.00125 -3.13208 D28 -0.02480 0.00007 -0.00311 0.00222 -0.00088 -0.02569 D29 3.10219 0.00009 0.00191 0.00131 0.00322 3.10541 D30 -0.02682 0.00006 0.00038 0.00112 0.00150 -0.02532 D31 -0.00496 -0.00001 0.00271 0.00022 0.00293 -0.00203 D32 -3.13397 -0.00004 0.00118 0.00004 0.00121 -3.13276 D33 -3.09697 0.00000 0.00000 -0.00251 -0.00251 -3.09948 D34 0.04905 -0.00014 0.00071 -0.00429 -0.00357 0.04548 D35 3.12875 0.00007 0.00000 0.00107 0.00108 3.12983 D36 -0.04566 0.00015 0.00211 0.00404 0.00615 -0.03950 D37 -0.00865 -0.00007 0.00068 -0.00061 0.00007 -0.00858 D38 3.10013 0.00001 0.00279 0.00236 0.00515 3.10528 D39 3.12514 -0.00001 -0.00030 0.00134 0.00105 3.12619 D40 -0.02846 0.00004 0.00111 0.00131 0.00242 -0.02604 D41 0.01767 -0.00009 -0.00245 -0.00174 -0.00419 0.01347 D42 -3.13594 -0.00004 -0.00105 -0.00176 -0.00282 -3.13876 D43 0.00791 0.00002 0.00012 -0.00042 -0.00030 0.00762 D44 3.13733 0.00005 0.00159 -0.00023 0.00136 3.13869 D45 -3.12094 -0.00003 -0.00138 -0.00037 -0.00175 -3.12270 D46 0.00847 -0.00000 0.00009 -0.00018 -0.00009 0.00838 D47 2.67814 0.00003 0.00125 0.00175 0.00300 2.68114 D48 -0.49248 0.00001 0.00215 0.00050 0.00264 -0.48984 D49 -0.42300 0.00000 0.00268 0.00266 0.00534 -0.41766 D50 2.68956 -0.00001 0.00358 0.00140 0.00498 2.69454 D51 3.13314 0.00002 0.00066 0.00040 0.00106 3.13420 D52 -0.00569 -0.00002 0.00117 -0.00167 -0.00050 -0.00619 D53 0.01943 0.00003 -0.00021 0.00163 0.00142 0.02085 D54 -3.11940 -0.00000 0.00030 -0.00044 -0.00014 -3.11954 D55 -3.12111 -0.00001 -0.00188 0.00132 -0.00057 -3.12168 D56 -0.01327 -0.00008 -0.00250 -0.00204 -0.00454 -0.01781 D57 -0.00917 -0.00003 -0.00097 0.00004 -0.00093 -0.01009 D58 3.09866 -0.00009 -0.00159 -0.00331 -0.00490 3.09377 D59 -0.01436 -0.00001 0.00106 -0.00158 -0.00052 -0.01488 D60 3.13193 -0.00002 0.00062 -0.00159 -0.00098 3.13095 D61 3.12441 0.00003 0.00054 0.00053 0.00107 3.12548 D62 -0.01249 0.00002 0.00010 0.00051 0.00061 -0.01188 D63 -0.00108 -0.00002 -0.00074 -0.00014 -0.00088 -0.00197 D64 -3.13560 -0.00000 -0.00049 0.00024 -0.00025 -3.13585 D65 3.13580 -0.00001 -0.00029 -0.00013 -0.00042 3.13538 D66 0.00129 0.00001 -0.00004 0.00025 0.00021 0.00150 D67 0.01132 0.00002 -0.00044 0.00181 0.00137 0.01269 D68 -3.12448 0.00004 -0.00124 0.00358 0.00234 -3.12215 D69 -3.13735 0.00001 -0.00069 0.00143 0.00074 -3.13661 D70 0.01004 0.00003 -0.00149 0.00320 0.00171 0.01174 D71 -0.00614 0.00000 0.00129 -0.00176 -0.00046 -0.00660 D72 -3.11458 0.00007 0.00190 0.00157 0.00347 -3.11111 D73 3.12969 -0.00002 0.00209 -0.00352 -0.00143 3.12826 D74 0.02124 0.00005 0.00270 -0.00019 0.00251 0.02376 Item Value Threshold Converged? Maximum Force 0.000572 0.000450 NO RMS Force 0.000124 0.000300 YES Maximum Displacement 0.114966 0.001800 NO RMS Displacement 0.026134 0.001200 NO Predicted change in Energy=-1.140278D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.502741 -6.551986 1.289024 2 6 0 7.793223 -6.810875 2.049082 3 8 0 5.482805 -7.422469 1.682265 4 7 0 4.702045 -1.388789 2.099490 5 6 0 5.178641 -2.659028 1.903456 6 7 0 6.080040 -2.890564 1.022025 7 6 0 6.562880 -4.147068 0.800163 8 8 0 7.432427 -4.399241 0.017157 9 7 0 5.993768 -5.198586 1.538781 10 6 0 5.041972 -4.964688 2.462065 11 6 0 4.597565 -3.720336 2.693250 12 1 0 6.672069 -6.613479 0.225935 13 1 0 8.551914 -6.099502 1.753034 14 1 0 8.159377 -7.809784 1.827912 15 1 0 3.932046 -1.310661 2.722593 16 6 0 5.245170 -0.179836 1.660016 17 1 0 4.660967 -5.816716 2.983606 18 35 0 3.254886 -3.420960 3.994272 19 1 0 7.620782 -6.736696 3.117571 20 1 0 5.745342 -8.314938 1.502843 21 8 0 6.336665 -0.063092 1.212559 22 6 0 4.334417 0.997435 1.858920 23 6 0 4.929237 2.247247 1.996338 24 6 0 4.148634 3.374171 2.173510 25 6 0 2.766033 3.264036 2.197171 26 6 0 2.166575 2.025862 2.041056 27 6 0 2.948166 0.893837 1.876149 28 1 0 5.999274 2.319715 1.961275 29 1 0 4.615048 4.335596 2.288871 30 1 0 2.158763 4.141352 2.329687 31 1 0 1.095203 1.939699 2.041033 32 1 0 2.466325 -0.055658 1.727890 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519887 0.000000 3 O 1.397371 2.417981 0.000000 4 N 5.527926 6.241550 6.098275 0.000000 5 C 4.157630 4.908673 4.778264 1.370796 0.000000 6 N 3.695400 4.399850 4.618525 2.305456 1.281815 7 C 2.454840 3.188951 3.559904 3.571983 2.312495 8 O 2.667635 3.174094 3.964028 4.566609 3.415554 9 N 1.467353 2.469397 2.286335 4.061711 2.691983 10 C 2.455481 3.338914 2.615933 3.610272 2.376297 11 C 3.690500 4.492061 3.938468 2.408231 1.444921 12 H 1.078245 2.149376 2.046878 5.889702 4.547756 13 H 2.149223 1.081345 3.342854 6.093631 4.820628 14 H 2.148697 1.086649 2.708369 7.297677 5.951536 15 H 6.011246 6.753862 6.390722 0.993609 2.010741 16 C 6.505646 7.114396 7.246565 1.396313 2.492004 17 H 2.608517 3.416536 2.224264 4.515516 3.377233 18 Br 5.260252 5.989307 5.130407 3.132760 2.941579 19 H 2.151213 1.084854 2.664832 6.177024 4.905659 20 H 1.930640 2.598923 0.947428 7.029651 5.698329 21 O 6.491470 6.953697 7.423619 2.283879 2.925277 22 C 7.875288 8.542201 8.499693 2.426332 3.752922 23 C 8.966757 9.500252 9.690639 3.644587 4.913489 24 C 10.239763 10.818210 10.889847 4.795574 6.126446 25 C 10.542391 11.260480 11.038450 5.040483 6.402315 26 C 9.640921 10.476027 10.019833 4.253453 5.571326 27 C 8.271639 9.103135 8.696144 2.887274 4.195071 28 H 8.911368 9.305570 9.759853 3.931273 5.046253 29 H 11.095157 11.593192 11.805636 5.728177 7.027869 30 H 11.588814 12.319787 12.049497 6.091284 7.452954 31 H 10.095331 11.019804 10.345529 4.908315 6.151560 32 H 7.660779 8.608831 7.960599 2.629404 3.763645 6 7 8 9 10 6 N 0.000000 7 C 1.364243 0.000000 8 O 2.261596 1.196996 0.000000 9 N 2.366738 1.405395 2.241435 0.000000 10 C 2.730072 2.396578 3.465773 1.346506 0.000000 11 C 2.383117 2.761946 3.957124 2.338249 1.341401 12 H 3.852838 2.534728 2.350443 2.045869 3.221181 13 H 4.116044 2.945542 2.675334 2.720600 3.756357 14 H 5.401095 4.125599 3.929262 3.404676 4.267896 15 H 3.162578 4.319980 5.395495 4.557199 3.827757 16 C 2.907247 4.267861 5.028564 5.075722 4.855861 17 H 3.797886 3.342518 4.300006 2.060574 1.069168 18 Br 4.134860 4.655362 5.850327 4.085446 2.815037 19 H 4.643052 3.632590 3.887382 2.739622 3.196867 20 H 5.455918 4.305029 4.515108 3.126445 3.555138 21 O 2.845480 4.110973 4.629456 5.157257 5.221412 22 C 4.343285 5.705517 6.489519 6.422352 6.034180 23 C 5.354506 6.707227 7.372851 7.535451 7.227837 24 C 6.656061 8.017712 8.709712 8.792017 8.391537 25 C 7.088209 8.443467 9.233283 9.081174 8.541778 26 C 6.365915 7.679347 8.550281 8.190991 7.570531 27 C 4.985966 6.295604 7.182000 6.819614 6.248971 28 H 5.294876 6.594324 7.139880 7.530165 7.364085 29 H 7.481208 8.829829 9.454928 9.662511 9.311688 30 H 8.156852 9.509658 10.300537 10.127549 9.552507 31 H 7.015584 8.275505 9.189050 8.671985 7.963970 32 H 4.646921 5.863623 6.815826 6.239257 5.592097 11 12 13 14 15 11 C 0.000000 12 H 4.331454 0.000000 13 H 4.709704 2.475888 0.000000 14 H 5.491712 2.491900 1.756347 0.000000 15 H 2.500061 6.470000 6.724301 7.804446 0.000000 16 C 3.744610 6.744212 6.781273 8.169266 2.032764 17 H 2.117342 3.504871 4.090690 4.188894 4.572087 18 Br 1.893428 6.005804 6.344780 6.928848 2.555205 19 H 4.291656 3.045784 1.770588 1.762051 6.573022 20 H 4.883117 2.320405 3.584355 2.487653 7.337283 21 O 4.311885 6.632759 6.452727 7.981991 3.101423 22 C 4.798199 8.127562 8.256210 9.601999 2.497026 23 C 6.017287 9.202406 9.102264 10.564377 3.765707 24 C 7.127671 10.483985 10.455437 11.886394 4.721870 25 C 7.237545 10.803157 11.015876 12.322906 4.750107 26 C 6.273265 9.911224 10.338136 11.519507 3.835853 27 C 4.967773 8.541104 8.962363 10.144559 2.558183 28 H 6.243620 9.125022 8.800145 10.358117 4.246489 29 H 8.066093 11.330017 11.165899 12.660371 5.703930 30 H 8.239301 11.851671 12.086356 13.382407 5.746596 31 H 6.687894 10.370771 10.968785 12.041612 4.367728 32 H 4.347870 7.934052 8.576892 9.620152 2.170900 16 17 18 19 20 16 C 0.000000 17 H 5.819588 0.000000 18 Br 4.462608 2.956037 0.000000 19 H 7.124634 3.102389 5.551914 0.000000 20 H 8.151979 3.099942 6.029976 2.935212 0.000000 21 O 1.185415 6.248901 5.339529 7.057975 8.278097 22 C 1.501665 6.914058 5.024672 8.497127 9.425380 23 C 2.470558 8.128602 6.238891 9.445253 10.605156 24 C 3.754601 9.240733 7.091387 10.732040 11.816706 25 C 4.277255 9.309635 6.939577 11.154836 11.976269 26 C 3.806316 8.283502 5.887898 10.377363 10.955792 27 C 2.544742 7.013677 4.816430 9.033244 9.631463 28 H 2.628152 8.308895 6.679828 9.272803 10.647558 29 H 4.602351 10.176158 8.057455 11.502904 12.725227 30 H 5.352292 10.288428 7.820543 12.197801 12.988702 31 H 4.675449 8.588661 6.100495 10.909718 11.272578 32 H 2.782446 6.291507 4.133228 8.551953 8.889224 21 22 23 24 25 21 O 0.000000 22 C 2.356161 0.000000 23 C 2.816529 1.390944 0.000000 24 C 4.186369 2.404653 1.382276 0.000000 25 C 4.978821 2.776999 2.398675 1.387183 0.000000 26 C 4.737065 2.406320 2.771879 2.400842 1.384485 27 C 3.583014 1.390224 2.402251 2.771571 2.398765 28 H 2.520353 2.128533 1.073062 2.140511 3.376572 29 H 4.844674 3.377415 2.132015 1.074796 2.139043 30 H 6.031600 3.852183 3.372578 2.138352 1.075184 31 H 5.671902 3.378393 3.846609 3.376196 2.137737 32 H 3.904504 2.148474 3.382510 3.846098 3.366069 26 27 28 29 30 26 C 0.000000 27 C 1.385481 0.000000 28 H 3.844776 3.368922 0.000000 29 H 3.375101 3.846367 2.467220 0.000000 30 H 2.135104 3.372716 4.266570 2.464292 0.000000 31 H 1.074831 2.134124 4.919420 4.265097 2.462063 32 H 2.126181 1.075031 4.263636 4.920855 4.251076 31 32 31 H 0.000000 32 H 2.441206 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.490530 -0.723557 -0.354600 2 6 0 -5.098184 -1.145366 0.973139 3 8 0 -4.998652 0.501610 -0.794401 4 7 0 1.001096 -0.218555 0.026170 5 6 0 -0.359935 -0.365668 -0.044774 6 7 0 -0.883963 -1.519964 -0.234629 7 6 0 -2.234723 -1.691220 -0.319939 8 8 0 -2.765254 -2.755711 -0.454831 9 7 0 -3.038556 -0.540674 -0.247599 10 6 0 -2.495583 0.676301 -0.054647 11 6 0 -1.167636 0.827915 0.059043 12 1 0 -4.638700 -1.490366 -1.098012 13 1 0 -4.659492 -2.075388 1.307676 14 1 0 -6.168323 -1.296049 0.859552 15 1 0 1.330000 0.718134 0.067340 16 6 0 1.973633 -1.205592 0.198273 17 1 0 -3.173837 1.501508 -0.008525 18 35 0 -0.430867 2.551684 0.325244 19 1 0 -4.936791 -0.376184 1.720948 20 1 0 -5.934651 0.426192 -0.920252 21 8 0 1.740000 -2.322801 0.518383 22 6 0 3.376896 -0.710293 -0.003041 23 6 0 4.393745 -1.389776 0.659565 24 6 0 5.709058 -0.991559 0.511031 25 6 0 6.021253 0.078236 -0.315013 26 6 0 5.016212 0.746607 -0.993226 27 6 0 3.696186 0.356550 -0.835280 28 1 0 4.139352 -2.224778 1.283678 29 1 0 6.488961 -1.514860 1.033616 30 1 0 7.044904 0.384584 -0.434640 31 1 0 5.256683 1.564453 -1.647872 32 1 0 2.931102 0.867899 -1.391033 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5012843 0.1427520 0.1155188 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.9040902592 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= 339 RedAO= T EigKep= 4.33D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999999 0.001147 0.000064 -0.000597 Ang= 0.15 deg. 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) = -3457.12292126 A.U. after 12 cycles NFock= 12 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 -0.000117018 0.000121000 0.000012866 2 6 0.000075358 -0.000081558 -0.000015382 3 8 0.000119199 -0.000161344 -0.000139624 4 7 -0.000173249 -0.000317614 -0.000202887 5 6 -0.000119805 0.000219719 0.000175689 6 7 0.000118715 0.000014233 0.000114957 7 6 0.000000130 -0.000082888 -0.000328070 8 8 -0.000183801 -0.000026268 0.000095151 9 7 0.000341742 0.000034801 0.000203193 10 6 -0.000201020 0.000048598 -0.000030363 11 6 -0.000070854 0.000085017 0.000048880 12 1 0.000029726 -0.000018806 0.000021887 13 1 -0.000064207 -0.000029789 0.000003874 14 1 -0.000019475 0.000063397 0.000034445 15 1 0.000042206 -0.000029141 0.000106732 16 6 0.000245838 0.000339701 0.000093336 17 1 0.000044502 0.000001136 -0.000015664 18 35 0.000158897 -0.000044813 -0.000151955 19 1 -0.000006996 0.000007261 -0.000020368 20 1 -0.000071128 0.000031371 0.000053585 21 8 -0.000141851 -0.000134453 0.000025299 22 6 0.000052627 -0.000090914 -0.000114152 23 6 -0.000085731 0.000045255 0.000075972 24 6 0.000074833 -0.000086284 0.000010353 25 6 -0.000043501 -0.000081866 -0.000036571 26 6 0.000003496 0.000018066 0.000031522 27 6 -0.000051477 0.000061122 -0.000136888 28 1 0.000056490 -0.000004378 -0.000008618 29 1 0.000006970 0.000063400 -0.000012959 30 1 -0.000010162 0.000061824 0.000008110 31 1 -0.000035648 -0.000000215 0.000034465 32 1 0.000025194 -0.000025566 0.000063186 ------------------------------------------------------------------- Cartesian Forces: Max 0.000341742 RMS 0.000111303 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000224176 RMS 0.000054672 Search for a local minimum. Step number 32 out of a maximum of 170 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 15 23 22 26 27 28 29 30 31 32 DE= -1.51D-05 DEPred=-1.14D-05 R= 1.32D+00 TightC=F SS= 1.41D+00 RLast= 6.92D-02 DXNew= 4.1735D-01 2.0764D-01 Trust test= 1.32D+00 RLast= 6.92D-02 DXMaxT set to 2.48D-01 ITU= 1 1 1 1 0 1 0 0 -1 -1 0 0 0 0 0 0 -1 0 1 1 ITU= 1 1 1 1 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00263 0.00287 0.00384 0.00623 0.01329 Eigenvalues --- 0.01380 0.01548 0.01694 0.01709 0.01791 Eigenvalues --- 0.01888 0.01959 0.02092 0.02115 0.02119 Eigenvalues --- 0.02132 0.02152 0.02450 0.02489 0.02547 Eigenvalues --- 0.02605 0.02747 0.04429 0.05189 0.05572 Eigenvalues --- 0.05663 0.05969 0.06782 0.07360 0.08794 Eigenvalues --- 0.13899 0.15583 0.15799 0.15909 0.15986 Eigenvalues --- 0.15999 0.16011 0.16057 0.16114 0.16204 Eigenvalues --- 0.16586 0.18949 0.20040 0.21974 0.21987 Eigenvalues --- 0.22062 0.23243 0.23449 0.23577 0.24588 Eigenvalues --- 0.24699 0.25084 0.25469 0.26019 0.27939 Eigenvalues --- 0.28213 0.29673 0.31602 0.33235 0.33752 Eigenvalues --- 0.33886 0.34152 0.34343 0.34899 0.35238 Eigenvalues --- 0.35766 0.38354 0.38380 0.38436 0.38493 Eigenvalues --- 0.38589 0.39043 0.40191 0.41749 0.42467 Eigenvalues --- 0.43544 0.44292 0.47816 0.49047 0.50627 Eigenvalues --- 0.50947 0.53021 0.55559 0.56022 0.56380 Eigenvalues --- 0.58248 0.63315 0.73435 0.88538 0.92343 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 32 31 30 29 28 27 26 RFO step: Lambda=-6.46209483D-06. DidBck=F Rises=F RFO-DIIS coefs: 0.95606 0.71790 -0.72151 -0.39363 0.18392 RFO-DIIS coefs: 0.33935 -0.08209 Iteration 1 RMS(Cart)= 0.00286521 RMS(Int)= 0.00000679 Iteration 2 RMS(Cart)= 0.00001022 RMS(Int)= 0.00000607 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000607 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87217 -0.00000 -0.00009 -0.00005 -0.00015 2.87202 R2 2.64065 0.00002 -0.00001 -0.00001 -0.00003 2.64062 R3 2.77290 0.00005 0.00039 -0.00027 0.00012 2.77301 R4 2.03759 -0.00002 -0.00027 0.00013 -0.00014 2.03745 R5 2.04345 -0.00007 0.00002 -0.00015 -0.00013 2.04331 R6 2.05347 -0.00007 -0.00022 0.00002 -0.00019 2.05327 R7 2.05008 -0.00002 -0.00018 0.00011 -0.00007 2.05000 R8 1.79038 -0.00006 -0.00045 0.00029 -0.00017 1.79021 R9 2.59043 -0.00016 -0.00045 0.00016 -0.00029 2.59013 R10 1.87765 0.00003 -0.00003 0.00008 0.00005 1.87770 R11 2.63865 0.00017 0.00070 -0.00023 0.00047 2.63912 R12 2.42228 0.00009 0.00000 0.00010 0.00010 2.42238 R13 2.73051 -0.00009 -0.00028 0.00008 -0.00020 2.73031 R14 2.57805 0.00008 0.00012 -0.00002 0.00011 2.57816 R15 2.26200 -0.00019 -0.00063 0.00041 -0.00022 2.26178 R16 2.65581 -0.00004 -0.00010 0.00008 -0.00001 2.65580 R17 2.54453 0.00006 0.00021 -0.00018 0.00003 2.54456 R18 2.53488 0.00001 -0.00004 0.00003 -0.00001 2.53487 R19 2.02044 -0.00002 -0.00000 -0.00005 -0.00005 2.02038 R20 3.57806 -0.00022 -0.00152 0.00026 -0.00125 3.57681 R21 2.24011 -0.00015 -0.00051 0.00034 -0.00017 2.23994 R22 2.83774 -0.00004 -0.00008 -0.00008 -0.00016 2.83758 R23 2.62850 0.00001 0.00033 -0.00030 0.00002 2.62853 R24 2.62714 0.00005 -0.00032 0.00044 0.00013 2.62727 R25 2.61212 -0.00004 -0.00073 0.00064 -0.00010 2.61203 R26 2.02779 0.00006 0.00011 0.00001 0.00012 2.02792 R27 2.62140 0.00006 0.00048 -0.00039 0.00009 2.62148 R28 2.03107 0.00006 0.00005 0.00010 0.00015 2.03122 R29 2.61630 -0.00001 -0.00067 0.00067 -0.00000 2.61629 R30 2.03180 0.00006 0.00004 0.00010 0.00015 2.03195 R31 2.61818 0.00003 0.00062 -0.00058 0.00004 2.61822 R32 2.03114 0.00004 0.00010 0.00000 0.00010 2.03123 R33 2.03151 0.00000 -0.00009 0.00009 0.00000 2.03152 A1 1.95292 -0.00003 0.00024 -0.00020 0.00005 1.95297 A2 1.94604 -0.00005 -0.00072 0.00028 -0.00043 1.94561 A3 1.92836 0.00001 -0.00020 -0.00010 -0.00029 1.92807 A4 1.84782 0.00010 0.00175 -0.00079 0.00095 1.84877 A5 1.93538 -0.00003 -0.00001 -0.00032 -0.00033 1.93504 A6 1.84927 0.00001 -0.00108 0.00119 0.00011 1.84938 A7 1.92490 -0.00004 0.00027 -0.00063 -0.00036 1.92455 A8 1.91867 0.00003 0.00021 0.00016 0.00037 1.91904 A9 1.92402 -0.00002 0.00039 -0.00049 -0.00010 1.92391 A10 1.88873 0.00001 -0.00021 0.00034 0.00013 1.88886 A11 1.91366 0.00002 -0.00038 0.00030 -0.00008 1.91359 A12 1.89323 -0.00000 -0.00030 0.00036 0.00005 1.89329 A13 1.90843 0.00013 0.00055 0.00014 0.00070 1.90913 A14 2.01748 0.00003 0.00051 -0.00056 -0.00008 2.01740 A15 2.24217 -0.00014 -0.00086 0.00006 -0.00083 2.24134 A16 2.01610 0.00010 -0.00004 0.00035 0.00027 2.01637 A17 2.10623 0.00001 -0.00052 0.00035 -0.00017 2.10606 A18 2.05177 0.00005 0.00026 0.00004 0.00031 2.05208 A19 2.12468 -0.00007 0.00029 -0.00044 -0.00015 2.12453 A20 2.12596 0.00004 -0.00001 0.00021 0.00022 2.12618 A21 2.16219 0.00007 0.00130 -0.00115 0.00015 2.16234 A22 2.04915 -0.00001 -0.00003 -0.00007 -0.00008 2.04907 A23 2.07183 -0.00006 -0.00128 0.00122 -0.00006 2.07177 A24 2.04899 -0.00002 -0.00010 -0.00017 -0.00027 2.04872 A25 2.12012 0.00007 0.00033 -0.00002 0.00032 2.12044 A26 2.11372 -0.00004 -0.00014 0.00020 0.00007 2.11379 A27 2.11005 0.00003 0.00035 -0.00033 0.00002 2.11007 A28 2.03526 -0.00005 0.00059 -0.00075 -0.00015 2.03511 A29 2.13782 0.00002 -0.00094 0.00108 0.00014 2.13796 A30 2.04197 0.00005 -0.00033 0.00046 0.00012 2.04209 A31 2.14674 -0.00001 -0.00046 0.00031 -0.00015 2.14658 A32 2.09443 -0.00004 0.00080 -0.00077 0.00004 2.09447 A33 2.16787 -0.00018 -0.00024 -0.00046 -0.00070 2.16717 A34 1.98360 0.00010 0.00006 0.00026 0.00033 1.98393 A35 2.13085 0.00008 0.00016 0.00027 0.00043 2.13128 A36 2.04672 -0.00001 -0.00021 0.00023 0.00002 2.04674 A37 2.15075 0.00003 0.00017 -0.00010 0.00007 2.15081 A38 2.08535 -0.00002 0.00006 -0.00013 -0.00007 2.08528 A39 2.09869 0.00001 -0.00007 0.00010 0.00003 2.09872 A40 2.07588 -0.00001 -0.00021 0.00012 -0.00010 2.07579 A41 2.10861 0.00001 0.00028 -0.00022 0.00006 2.10868 A42 2.09476 0.00001 0.00013 -0.00012 0.00001 2.09477 A43 2.09205 0.00002 0.00007 0.00002 0.00010 2.09214 A44 2.09637 -0.00002 -0.00020 0.00009 -0.00011 2.09627 A45 2.09513 0.00001 0.00004 0.00003 0.00007 2.09520 A46 2.09469 -0.00003 -0.00006 -0.00009 -0.00015 2.09454 A47 2.09334 0.00002 0.00002 0.00006 0.00008 2.09342 A48 2.09426 -0.00003 -0.00009 -0.00003 -0.00012 2.09414 A49 2.09819 0.00001 0.00018 -0.00017 0.00001 2.09820 A50 2.09072 0.00002 -0.00009 0.00019 0.00011 2.09083 A51 2.09799 0.00002 -0.00006 0.00015 0.00009 2.09808 A52 2.10719 -0.00004 -0.00023 -0.00002 -0.00025 2.10694 A53 2.07741 0.00002 0.00034 -0.00014 0.00020 2.07760 D1 -3.10306 -0.00004 -0.00139 0.00018 -0.00121 -3.10427 D2 1.09888 -0.00005 -0.00143 0.00005 -0.00138 1.09750 D3 -0.98738 -0.00005 -0.00143 -0.00018 -0.00161 -0.98900 D4 -1.03719 0.00003 0.00050 -0.00078 -0.00027 -1.03746 D5 -3.11844 0.00002 0.00045 -0.00090 -0.00044 -3.11888 D6 1.07849 0.00002 0.00046 -0.00113 -0.00067 1.07781 D7 1.01450 0.00002 -0.00141 0.00081 -0.00060 1.01391 D8 -1.06675 0.00001 -0.00146 0.00069 -0.00076 -1.06751 D9 3.13017 0.00000 -0.00145 0.00046 -0.00100 3.12918 D10 -1.06451 0.00001 0.00070 0.00057 0.00127 -1.06324 D11 3.09527 0.00003 0.00031 0.00086 0.00116 3.09643 D12 1.09718 -0.00002 0.00063 0.00006 0.00068 1.09786 D13 1.42229 0.00007 0.00245 0.00134 0.00378 1.42608 D14 -1.69145 0.00000 -0.00217 0.00087 -0.00130 -1.69275 D15 -2.73307 0.00006 0.00345 0.00075 0.00420 -2.72887 D16 0.43637 0.00000 -0.00117 0.00028 -0.00089 0.43548 D17 -0.67656 0.00008 0.00375 0.00056 0.00431 -0.67225 D18 2.49288 0.00002 -0.00086 0.00009 -0.00077 2.49210 D19 3.02059 0.00003 0.00149 -0.00006 0.00143 3.02202 D20 -0.08723 0.00005 0.00036 0.00163 0.00199 -0.08524 D21 -0.25890 -0.00003 -0.00281 -0.00151 -0.00431 -0.26322 D22 2.91646 -0.00001 -0.00394 0.00018 -0.00375 2.91271 D23 -0.21504 0.00006 -0.00138 0.00217 0.00079 -0.21425 D24 2.97039 -0.00002 -0.00101 0.00033 -0.00068 2.96971 D25 2.78874 -0.00001 -0.00564 0.00067 -0.00498 2.78376 D26 -0.30901 -0.00009 -0.00527 -0.00117 -0.00644 -0.31546 D27 -3.13208 0.00004 -0.00057 0.00198 0.00141 -3.13067 D28 -0.02569 0.00002 0.00061 0.00022 0.00083 -0.02486 D29 3.10541 -0.00000 0.00289 -0.00156 0.00133 3.10674 D30 -0.02532 -0.00001 0.00210 -0.00147 0.00063 -0.02469 D31 -0.00203 0.00002 0.00177 0.00013 0.00190 -0.00013 D32 -3.13276 0.00001 0.00097 0.00022 0.00120 -3.13156 D33 -3.09948 -0.00005 -0.00236 -0.00132 -0.00367 -3.10314 D34 0.04548 -0.00007 -0.00420 -0.00072 -0.00491 0.04058 D35 3.12983 0.00003 0.00101 0.00042 0.00145 3.13128 D36 -0.03950 0.00009 0.00564 0.00088 0.00652 -0.03298 D37 -0.00858 0.00001 -0.00072 0.00099 0.00028 -0.00830 D38 3.10528 0.00007 0.00390 0.00146 0.00535 3.11063 D39 3.12619 0.00001 0.00135 -0.00007 0.00130 3.12749 D40 -0.02604 0.00003 0.00192 0.00031 0.00224 -0.02380 D41 0.01347 -0.00006 -0.00341 -0.00055 -0.00397 0.00951 D42 -3.13876 -0.00003 -0.00285 -0.00017 -0.00303 3.14139 D43 0.00762 0.00000 -0.00028 0.00004 -0.00024 0.00738 D44 3.13869 0.00001 0.00048 -0.00004 0.00044 3.13913 D45 -3.12270 -0.00002 -0.00088 -0.00035 -0.00123 -3.12392 D46 0.00838 -0.00001 -0.00012 -0.00043 -0.00055 0.00783 D47 2.68114 0.00004 0.00140 0.00107 0.00247 2.68362 D48 -0.48984 0.00005 0.00187 0.00129 0.00316 -0.48668 D49 -0.41766 -0.00003 0.00178 -0.00071 0.00107 -0.41658 D50 2.69454 -0.00001 0.00224 -0.00048 0.00176 2.69630 D51 3.13420 0.00000 -0.00005 0.00025 0.00020 3.13440 D52 -0.00619 0.00002 0.00051 -0.00001 0.00050 -0.00569 D53 0.02085 -0.00001 -0.00049 0.00003 -0.00046 0.02039 D54 -3.11954 0.00000 0.00007 -0.00022 -0.00016 -3.11970 D55 -3.12168 -0.00003 -0.00085 -0.00016 -0.00102 -3.12269 D56 -0.01781 0.00003 0.00069 -0.00064 0.00005 -0.01776 D57 -0.01009 -0.00001 -0.00038 0.00007 -0.00032 -0.01041 D58 3.09377 0.00005 0.00116 -0.00041 0.00075 3.09452 D59 -0.01488 0.00002 0.00089 -0.00030 0.00059 -0.01429 D60 3.13095 0.00002 0.00056 0.00021 0.00078 3.13173 D61 3.12548 0.00000 0.00032 -0.00003 0.00029 3.12577 D62 -0.01188 0.00000 -0.00000 0.00048 0.00047 -0.01140 D63 -0.00197 0.00000 -0.00040 0.00045 0.00005 -0.00192 D64 -3.13585 -0.00001 -0.00063 0.00038 -0.00025 -3.13610 D65 3.13538 -0.00000 -0.00008 -0.00006 -0.00014 3.13525 D66 0.00150 -0.00001 -0.00030 -0.00013 -0.00044 0.00106 D67 0.01269 -0.00003 -0.00047 -0.00035 -0.00082 0.01187 D68 -3.12215 -0.00003 -0.00154 0.00080 -0.00074 -3.12288 D69 -3.13661 -0.00001 -0.00025 -0.00028 -0.00052 -3.13713 D70 0.01174 -0.00002 -0.00132 0.00088 -0.00044 0.01130 D71 -0.00660 0.00003 0.00086 0.00009 0.00096 -0.00565 D72 -3.11111 -0.00002 -0.00064 0.00055 -0.00009 -3.11119 D73 3.12826 0.00003 0.00193 -0.00106 0.00087 3.12913 D74 0.02376 -0.00002 0.00043 -0.00060 -0.00017 0.02358 Item Value Threshold Converged? Maximum Force 0.000224 0.000450 YES RMS Force 0.000055 0.000300 YES Maximum Displacement 0.013777 0.001800 NO RMS Displacement 0.002870 0.001200 NO Predicted change in Energy=-2.825025D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.503756 -6.551623 1.289268 2 6 0 7.794840 -6.809296 2.048561 3 8 0 5.485247 -7.423984 1.681990 4 7 0 4.699058 -1.389880 2.100427 5 6 0 5.175856 -2.659810 1.903969 6 7 0 6.076578 -2.890821 1.021632 7 6 0 6.558832 -4.147267 0.797811 8 8 0 7.425136 -4.399392 0.011379 9 7 0 5.993988 -5.198621 1.539923 10 6 0 5.041595 -4.965544 2.462825 11 6 0 4.595666 -3.721648 2.693508 12 1 0 6.672950 -6.612498 0.226194 13 1 0 8.552424 -6.097143 1.751810 14 1 0 8.161952 -7.807797 1.827633 15 1 0 3.930386 -1.311948 2.725233 16 6 0 5.244844 -0.180772 1.663889 17 1 0 4.662128 -5.817829 2.985011 18 35 0 3.253173 -3.423412 3.994018 19 1 0 7.622930 -6.734791 3.117074 20 1 0 5.748900 -8.316097 1.502894 21 8 0 6.337627 -0.065576 1.219428 22 6 0 4.334645 0.997267 1.860134 23 6 0 4.930112 2.246777 1.997633 24 6 0 4.150067 3.374357 2.172673 25 6 0 2.767321 3.265158 2.194815 26 6 0 2.167144 2.027249 2.039378 27 6 0 2.948231 0.894674 1.875684 28 1 0 6.000318 2.318411 1.964012 29 1 0 4.616909 4.335738 2.287408 30 1 0 2.160573 4.143141 2.325925 31 1 0 1.095665 1.941765 2.038867 32 1 0 2.466149 -0.054788 1.727994 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519809 0.000000 3 O 1.397357 2.417941 0.000000 4 N 5.527975 6.241525 6.099475 0.000000 5 C 4.157811 4.908994 4.779368 1.370640 0.000000 6 N 3.695346 4.400165 4.619016 2.305252 1.281868 7 C 2.454688 3.190375 3.559667 3.571940 2.312734 8 O 2.667215 3.177173 3.962609 4.566485 3.415744 9 N 1.467415 2.469019 2.287191 4.061714 2.692106 10 C 2.455769 3.339371 2.617338 3.610269 2.376291 11 C 3.690726 4.492688 3.939773 2.408232 1.444816 12 H 1.078174 2.149044 2.046581 5.889375 4.547523 13 H 2.148845 1.081275 3.342598 6.093299 4.820749 14 H 2.148818 1.086546 2.708002 7.297651 5.951837 15 H 6.011524 6.753719 6.392412 0.993636 2.010572 16 C 6.504840 7.112510 7.247223 1.396563 2.491591 17 H 2.608753 3.416699 2.226010 4.515594 3.377226 18 Br 5.260007 5.989638 5.131491 3.132336 2.940765 19 H 2.151040 1.084815 2.665360 6.176623 4.905636 20 H 1.931013 2.598860 0.947340 7.030768 5.699370 21 O 6.488550 6.949007 7.422041 2.283604 2.923758 22 C 7.875067 8.541129 8.501358 2.426728 3.752835 23 C 8.966046 9.498512 9.691823 3.645439 4.913630 24 C 10.239402 10.816958 10.891632 4.796307 6.126632 25 C 10.542778 11.260194 11.041190 5.040823 6.402412 26 C 9.641884 10.476430 10.023140 4.253361 5.571284 27 C 8.272423 9.103332 8.699082 2.887055 4.194933 28 H 8.909895 9.302822 9.760076 3.932341 5.046387 29 H 11.094643 11.591725 11.807269 5.729259 7.028309 30 H 11.589473 12.319813 12.052655 6.091722 7.453195 31 H 10.096881 11.020895 10.349543 4.907962 6.151475 32 H 7.661829 8.609361 7.963801 2.628129 3.762927 6 7 8 9 10 6 N 0.000000 7 C 1.364302 0.000000 8 O 2.261637 1.196881 0.000000 9 N 2.366725 1.405391 2.241293 0.000000 10 C 2.729964 2.396635 3.465744 1.346524 0.000000 11 C 2.382970 2.762035 3.957152 2.338271 1.341396 12 H 3.852176 2.533206 2.347289 2.045953 3.221226 13 H 4.116244 2.947293 2.679969 2.719895 3.756591 14 H 5.401395 4.126743 3.931780 3.404503 4.268313 15 H 3.162473 4.320037 5.395423 4.557372 3.827846 16 C 2.906655 4.267287 5.028043 5.074977 4.855271 17 H 3.797749 3.342470 4.299844 2.060473 1.069141 18 Br 4.134048 4.654792 5.849720 4.084853 2.814459 19 H 4.643079 3.634084 3.890829 2.738736 3.197118 20 H 5.456427 4.304913 4.513863 3.127314 3.556396 21 O 2.844166 4.109367 4.628609 5.154508 5.218757 22 C 4.342194 5.704540 6.487909 6.422226 6.034744 23 C 5.353679 6.706423 7.371697 7.534938 7.228168 24 C 6.654983 8.016684 8.707953 8.791836 8.392435 25 C 7.086863 8.442229 9.230816 9.081620 8.543337 26 C 6.364503 7.678090 8.547571 8.191910 7.572379 27 C 4.984570 6.294396 7.179515 6.820382 6.250525 28 H 5.294336 6.593705 7.139450 7.528988 7.363692 29 H 7.480373 8.829005 9.453515 9.662250 9.312625 30 H 8.155544 9.508453 10.297942 10.128247 9.554432 31 H 7.014140 8.274220 9.186032 8.673386 7.966243 32 H 4.645130 5.862054 6.812775 6.240196 5.593606 11 12 13 14 15 11 C 0.000000 12 H 4.331254 0.000000 13 H 4.710170 2.474978 0.000000 14 H 5.492244 2.492082 1.756290 0.000000 15 H 2.500052 6.470138 6.723754 7.804350 0.000000 16 C 3.744243 6.743408 6.778736 8.167487 2.033177 17 H 2.117396 3.505135 4.090624 4.189064 4.572296 18 Br 1.892765 6.005135 6.344950 6.929081 2.554743 19 H 4.292174 3.045424 1.770452 1.761972 6.572339 20 H 4.884308 2.320793 3.584057 2.487296 7.338883 21 O 4.309780 6.630320 6.447368 7.977472 3.100919 22 C 4.799043 8.126867 8.254214 9.600963 2.498859 23 C 6.018156 9.201209 9.099592 10.562582 3.767410 24 C 7.129034 10.482891 10.453094 11.885068 4.723880 25 C 7.239269 10.802662 11.014370 12.322629 4.752259 26 C 6.274984 9.911365 10.337322 11.520012 3.837924 27 C 4.969236 8.541193 8.961463 10.144860 2.560379 28 H 6.243999 9.123244 8.796579 10.355256 4.247773 29 H 8.067642 11.328715 11.163339 12.658758 5.706081 30 H 8.241341 11.851337 12.085064 13.382442 5.748885 31 H 6.689755 10.371466 10.968577 12.042881 4.369599 32 H 4.348900 7.934491 8.576326 9.620875 2.172310 16 17 18 19 20 16 C 0.000000 17 H 5.819049 0.000000 18 Br 4.462171 2.955755 0.000000 19 H 7.121953 3.102355 5.552390 0.000000 20 H 8.152515 3.101465 6.030980 2.935659 0.000000 21 O 1.185323 6.246038 5.337347 7.052056 8.276355 22 C 1.501583 6.915066 5.026474 8.495731 9.426902 23 C 2.470513 8.129244 6.240891 9.443145 10.606106 24 C 3.754509 9.242207 7.094461 10.730682 11.818273 25 C 4.277200 9.312108 6.943353 11.154662 11.978900 26 C 3.806387 8.286399 5.891500 10.377879 10.959087 27 C 2.544773 7.016106 4.819356 9.033415 9.634366 28 H 2.628065 8.308525 6.681037 9.269460 10.647469 29 H 4.602384 10.177604 8.060812 11.501353 12.726578 30 H 5.352312 10.291409 7.824898 12.198060 12.991769 31 H 4.675624 8.592214 6.104308 10.911019 11.276684 32 H 2.782288 6.294050 4.135444 8.552448 8.892488 21 22 23 24 25 21 O 0.000000 22 C 2.356285 0.000000 23 C 2.816679 1.390957 0.000000 24 C 4.186554 2.404643 1.382225 0.000000 25 C 4.979182 2.777021 2.398676 1.387228 0.000000 26 C 4.737633 2.406460 2.771990 2.400928 1.384483 27 C 3.583400 1.390292 2.402272 2.771542 2.398702 28 H 2.520233 2.128539 1.073127 2.140559 3.376666 29 H 4.844896 3.377517 2.132093 1.074876 2.139086 30 H 6.032032 3.852281 3.372583 2.138364 1.075261 31 H 5.672659 3.378611 3.846780 3.376329 2.137785 32 H 3.904754 2.148385 3.382458 3.846083 3.366106 26 27 28 29 30 26 C 0.000000 27 C 1.385503 0.000000 28 H 3.844955 3.368986 0.000000 29 H 3.375202 3.846417 2.467390 0.000000 30 H 2.135217 3.372783 4.266646 2.464176 0.000000 31 H 1.074883 2.134251 4.919663 4.265212 2.462212 32 H 2.126321 1.075032 4.263582 4.920918 4.251295 31 32 31 H 0.000000 32 H 2.441535 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.489971 -0.725898 -0.352639 2 6 0 -5.096432 -1.149053 0.975127 3 8 0 -5.000618 0.498277 -0.792233 4 7 0 1.001450 -0.216077 0.025374 5 6 0 -0.359343 -0.363939 -0.045566 6 7 0 -0.882506 -1.518528 -0.236388 7 6 0 -2.233083 -1.690830 -0.323412 8 8 0 -2.762531 -2.755144 -0.462860 9 7 0 -3.038126 -0.541490 -0.245651 10 6 0 -2.495977 0.676008 -0.053556 11 6 0 -1.168040 0.828811 0.058594 12 1 0 -4.637457 -1.492786 -1.096003 13 1 0 -4.656471 -2.078805 1.308521 14 1 0 -6.166446 -1.300605 0.862500 15 1 0 1.329657 0.720792 0.068602 16 6 0 1.973648 -1.203131 0.201281 17 1 0 -3.175066 1.500408 -0.005966 18 35 0 -0.432726 2.552560 0.324230 19 1 0 -4.934941 -0.380302 1.723304 20 1 0 -5.936601 0.421962 -0.916988 21 8 0 1.738513 -2.319089 0.524299 22 6 0 3.377263 -0.709818 -0.001841 23 6 0 4.393841 -1.389461 0.661044 24 6 0 5.709441 -0.992894 0.511111 25 6 0 6.022211 0.075886 -0.316103 26 6 0 5.017454 0.744949 -0.994050 27 6 0 3.697193 0.355909 -0.835377 28 1 0 4.138890 -2.223529 1.286290 29 1 0 6.489314 -1.516740 1.033358 30 1 0 7.046217 0.380999 -0.436542 31 1 0 5.258351 1.562443 -1.649066 32 1 0 2.932068 0.867633 -1.390729 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5011841 0.1427345 0.1155151 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.9181439126 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= 339 RedAO= T EigKep= 4.33D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 0.000082 0.000016 -0.000115 Ang= 0.02 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -3457.12292468 A.U. after 10 cycles NFock= 10 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 -0.000024299 -0.000039724 -0.000061471 2 6 0.000019786 -0.000012699 0.000042030 3 8 -0.000078603 0.000107452 0.000029801 4 7 -0.000100482 -0.000125193 -0.000025522 5 6 -0.000022156 0.000059437 0.000003340 6 7 0.000081996 -0.000034464 0.000011904 7 6 -0.000043645 0.000048261 -0.000024516 8 8 -0.000009164 0.000000695 -0.000042517 9 7 0.000088188 -0.000133770 0.000033941 10 6 -0.000005727 0.000021520 -0.000016286 11 6 0.000024966 0.000014005 -0.000029832 12 1 0.000010365 0.000024181 -0.000006491 13 1 0.000011426 0.000006248 -0.000000614 14 1 -0.000004064 0.000008862 -0.000000152 15 1 0.000004138 0.000013134 0.000044396 16 6 0.000022143 0.000122412 -0.000066787 17 1 0.000003692 -0.000027847 -0.000007634 18 35 -0.000055184 -0.000008493 0.000056567 19 1 0.000010424 0.000000526 0.000014311 20 1 0.000025555 -0.000011939 0.000002645 21 8 0.000000380 0.000012025 0.000034056 22 6 0.000002765 -0.000053692 -0.000003889 23 6 -0.000003519 0.000016477 0.000028043 24 6 0.000038934 -0.000000597 -0.000010947 25 6 -0.000037069 -0.000022578 0.000006572 26 6 0.000007893 0.000014292 -0.000021496 27 6 0.000001531 -0.000004870 -0.000041952 28 1 0.000009002 0.000002275 -0.000002794 29 1 -0.000010120 0.000001126 0.000001047 30 1 0.000011155 0.000006928 0.000003189 31 1 0.000007800 -0.000002356 0.000009221 32 1 0.000011895 -0.000001635 0.000041836 ------------------------------------------------------------------- Cartesian Forces: Max 0.000133770 RMS 0.000039074 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000127370 RMS 0.000027416 Search for a local minimum. Step number 33 out of a maximum of 170 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 15 23 22 26 27 28 29 30 31 32 33 DE= -3.42D-06 DEPred=-2.83D-06 R= 1.21D+00 TightC=F SS= 1.41D+00 RLast= 1.90D-02 DXNew= 4.1735D-01 5.6944D-02 Trust test= 1.21D+00 RLast= 1.90D-02 DXMaxT set to 2.48D-01 ITU= 1 1 1 1 1 0 1 0 0 -1 -1 0 0 0 0 0 0 -1 0 1 ITU= 1 1 1 1 1 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00271 0.00286 0.00377 0.00602 0.00997 Eigenvalues --- 0.01339 0.01559 0.01691 0.01708 0.01793 Eigenvalues --- 0.01867 0.01950 0.02081 0.02115 0.02121 Eigenvalues --- 0.02131 0.02154 0.02469 0.02479 0.02562 Eigenvalues --- 0.02632 0.02739 0.04544 0.05410 0.05594 Eigenvalues --- 0.05668 0.06095 0.06836 0.07401 0.08797 Eigenvalues --- 0.13905 0.15620 0.15746 0.15883 0.15961 Eigenvalues --- 0.15998 0.16013 0.16059 0.16125 0.16253 Eigenvalues --- 0.16545 0.19094 0.20335 0.21960 0.22025 Eigenvalues --- 0.22162 0.23329 0.23478 0.23645 0.24608 Eigenvalues --- 0.24659 0.25217 0.25580 0.26138 0.27863 Eigenvalues --- 0.28363 0.29680 0.31367 0.33617 0.33755 Eigenvalues --- 0.33870 0.34019 0.34413 0.35074 0.35390 Eigenvalues --- 0.36761 0.38364 0.38378 0.38438 0.38496 Eigenvalues --- 0.38729 0.39036 0.40221 0.41492 0.42620 Eigenvalues --- 0.44213 0.44279 0.47794 0.48280 0.50637 Eigenvalues --- 0.51397 0.54823 0.55492 0.56168 0.56457 Eigenvalues --- 0.58276 0.63693 0.73380 0.88550 0.93908 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 33 32 31 30 29 28 27 26 RFO step: Lambda=-1.10404298D-06. DidBck=F Rises=F RFO-DIIS coefs: 1.12759 -0.03485 -0.02496 -0.09308 -0.06140 RFO-DIIS coefs: 0.04661 0.05611 -0.01602 Iteration 1 RMS(Cart)= 0.00187255 RMS(Int)= 0.00000207 Iteration 2 RMS(Cart)= 0.00000281 RMS(Int)= 0.00000175 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000175 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87202 0.00006 -0.00015 0.00028 0.00013 2.87215 R2 2.64062 -0.00001 -0.00002 -0.00001 -0.00003 2.64060 R3 2.77301 -0.00009 -0.00003 -0.00004 -0.00007 2.77294 R4 2.03745 0.00001 -0.00011 0.00008 -0.00003 2.03742 R5 2.04331 0.00001 -0.00001 0.00009 0.00008 2.04340 R6 2.05327 -0.00001 -0.00011 0.00009 -0.00003 2.05325 R7 2.05000 0.00001 -0.00006 0.00008 0.00001 2.05002 R8 1.79021 0.00002 -0.00017 0.00017 0.00000 1.79021 R9 2.59013 -0.00001 -0.00018 0.00010 -0.00008 2.59005 R10 1.87770 0.00003 0.00002 0.00003 0.00006 1.87776 R11 2.63912 0.00011 0.00027 0.00007 0.00034 2.63946 R12 2.42238 0.00007 0.00002 0.00007 0.00009 2.42247 R13 2.73031 0.00002 -0.00007 0.00005 -0.00002 2.73029 R14 2.57816 0.00001 0.00005 -0.00006 -0.00001 2.57815 R15 2.26178 0.00002 -0.00020 0.00018 -0.00003 2.26175 R16 2.65580 0.00004 -0.00007 0.00012 0.00006 2.65586 R17 2.54456 -0.00000 0.00003 -0.00004 -0.00001 2.54455 R18 2.53487 0.00001 -0.00002 0.00004 0.00002 2.53489 R19 2.02038 0.00002 0.00000 0.00001 0.00001 2.02040 R20 3.57681 0.00008 -0.00054 0.00060 0.00007 3.57687 R21 2.23994 -0.00001 -0.00016 0.00009 -0.00007 2.23987 R22 2.83758 -0.00006 -0.00008 -0.00013 -0.00021 2.83737 R23 2.62853 0.00002 0.00005 0.00000 0.00005 2.62858 R24 2.62727 -0.00002 -0.00005 -0.00003 -0.00008 2.62719 R25 2.61203 -0.00001 -0.00018 0.00007 -0.00011 2.61192 R26 2.02792 0.00001 0.00007 -0.00004 0.00002 2.02794 R27 2.62148 0.00002 0.00011 -0.00004 0.00007 2.62155 R28 2.03122 -0.00000 0.00006 -0.00007 -0.00001 2.03121 R29 2.61629 -0.00001 -0.00013 0.00004 -0.00009 2.61620 R30 2.03195 -0.00000 0.00006 -0.00005 0.00000 2.03195 R31 2.61822 -0.00000 0.00012 -0.00009 0.00003 2.61825 R32 2.03123 -0.00001 0.00006 -0.00007 -0.00001 2.03122 R33 2.03152 -0.00001 -0.00001 -0.00003 -0.00003 2.03148 A1 1.95297 0.00004 0.00020 0.00002 0.00023 1.95319 A2 1.94561 0.00003 -0.00042 0.00012 -0.00030 1.94531 A3 1.92807 -0.00001 -0.00007 0.00013 0.00005 1.92812 A4 1.84877 -0.00010 0.00038 -0.00053 -0.00015 1.84861 A5 1.93504 0.00002 0.00017 0.00004 0.00021 1.93525 A6 1.84938 0.00001 -0.00027 0.00021 -0.00006 1.84932 A7 1.92455 0.00000 -0.00007 -0.00004 -0.00011 1.92444 A8 1.91904 -0.00001 0.00008 0.00004 0.00013 1.91916 A9 1.92391 0.00002 0.00010 0.00004 0.00014 1.92405 A10 1.88886 -0.00000 0.00001 -0.00007 -0.00006 1.88880 A11 1.91359 -0.00001 -0.00011 -0.00000 -0.00011 1.91348 A12 1.89329 -0.00000 -0.00002 0.00003 0.00001 1.89330 A13 1.90913 -0.00003 0.00023 -0.00026 -0.00003 1.90910 A14 2.01740 0.00002 0.00010 0.00010 0.00019 2.01759 A15 2.24134 -0.00002 -0.00043 -0.00003 -0.00047 2.24087 A16 2.01637 -0.00000 0.00005 -0.00011 -0.00007 2.01630 A17 2.10606 0.00003 -0.00025 0.00014 -0.00011 2.10595 A18 2.05208 -0.00001 0.00018 -0.00006 0.00012 2.05219 A19 2.12453 -0.00002 0.00007 -0.00007 -0.00000 2.12452 A20 2.12618 0.00002 0.00006 0.00001 0.00007 2.12625 A21 2.16234 -0.00000 0.00037 -0.00026 0.00011 2.16245 A22 2.04907 -0.00001 -0.00011 0.00010 -0.00001 2.04906 A23 2.07177 0.00002 -0.00026 0.00016 -0.00010 2.07167 A24 2.04872 0.00013 -0.00019 0.00040 0.00020 2.04893 A25 2.12044 -0.00011 0.00013 -0.00026 -0.00013 2.12031 A26 2.11379 -0.00002 0.00011 -0.00014 -0.00004 2.11375 A27 2.11007 0.00005 0.00003 0.00009 0.00012 2.11019 A28 2.03511 -0.00005 0.00007 -0.00018 -0.00011 2.03500 A29 2.13796 0.00000 -0.00011 0.00009 -0.00001 2.13795 A30 2.04209 -0.00002 -0.00008 0.00002 -0.00007 2.04202 A31 2.14658 0.00005 -0.00011 0.00018 0.00007 2.14665 A32 2.09447 -0.00003 0.00020 -0.00019 0.00000 2.09447 A33 2.16717 0.00001 -0.00023 0.00010 -0.00013 2.16704 A34 1.98393 -0.00000 0.00000 -0.00001 -0.00000 1.98393 A35 2.13128 -0.00001 0.00022 -0.00010 0.00012 2.13140 A36 2.04674 -0.00001 0.00002 0.00001 0.00003 2.04677 A37 2.15081 -0.00000 -0.00004 -0.00004 -0.00008 2.15073 A38 2.08528 0.00001 0.00002 0.00004 0.00006 2.08534 A39 2.09872 -0.00000 -0.00002 -0.00001 -0.00003 2.09868 A40 2.07579 0.00000 -0.00004 0.00003 -0.00001 2.07577 A41 2.10868 0.00000 0.00006 -0.00002 0.00005 2.10873 A42 2.09477 -0.00001 0.00002 -0.00003 -0.00001 2.09476 A43 2.09214 0.00001 0.00002 0.00006 0.00008 2.09222 A44 2.09627 -0.00001 -0.00004 -0.00002 -0.00007 2.09620 A45 2.09520 0.00000 0.00004 -0.00000 0.00003 2.09523 A46 2.09454 -0.00001 -0.00004 -0.00005 -0.00009 2.09445 A47 2.09342 0.00001 0.00000 0.00005 0.00006 2.09348 A48 2.09414 0.00000 -0.00006 0.00005 -0.00001 2.09413 A49 2.09820 0.00000 0.00002 0.00001 0.00003 2.09823 A50 2.09083 -0.00000 0.00004 -0.00005 -0.00001 2.09081 A51 2.09808 -0.00000 0.00000 -0.00003 -0.00003 2.09805 A52 2.10694 -0.00001 -0.00020 0.00010 -0.00010 2.10684 A53 2.07760 0.00001 0.00021 -0.00006 0.00014 2.07774 D1 -3.10427 0.00004 -0.00007 0.00024 0.00016 -3.10411 D2 1.09750 0.00005 -0.00010 0.00033 0.00023 1.09772 D3 -0.98900 0.00004 -0.00019 0.00023 0.00004 -0.98896 D4 -1.03746 -0.00004 0.00025 -0.00033 -0.00008 -1.03754 D5 -3.11888 -0.00003 0.00022 -0.00024 -0.00002 -3.11890 D6 1.07781 -0.00004 0.00013 -0.00034 -0.00020 1.07761 D7 1.01391 -0.00001 -0.00039 0.00008 -0.00032 1.01359 D8 -1.06751 -0.00001 -0.00042 0.00017 -0.00025 -1.06776 D9 3.12918 -0.00001 -0.00051 0.00008 -0.00044 3.12874 D10 -1.06324 -0.00001 0.00026 0.00029 0.00054 -1.06269 D11 3.09643 -0.00000 0.00041 0.00047 0.00088 3.09731 D12 1.09786 0.00003 0.00044 0.00049 0.00093 1.09880 D13 1.42608 0.00002 0.00138 0.00007 0.00145 1.42752 D14 -1.69275 0.00000 -0.00063 0.00025 -0.00038 -1.69313 D15 -2.72887 0.00003 0.00162 -0.00017 0.00145 -2.72742 D16 0.43548 0.00001 -0.00039 0.00001 -0.00038 0.43511 D17 -0.67225 0.00001 0.00187 -0.00028 0.00159 -0.67066 D18 2.49210 -0.00001 -0.00014 -0.00009 -0.00024 2.49187 D19 3.02202 0.00001 -0.00006 0.00028 0.00022 3.02224 D20 -0.08524 0.00001 -0.00012 0.00021 0.00009 -0.08515 D21 -0.26322 -0.00002 -0.00265 -0.00017 -0.00281 -0.26603 D22 2.91271 -0.00001 -0.00271 -0.00024 -0.00295 2.90976 D23 -0.21425 -0.00000 -0.00081 0.00028 -0.00053 -0.21479 D24 2.96971 0.00002 -0.00064 0.00038 -0.00027 2.96945 D25 2.78376 -0.00003 -0.00339 -0.00015 -0.00355 2.78022 D26 -0.31546 -0.00001 -0.00323 -0.00005 -0.00328 -0.31873 D27 -3.13067 0.00001 0.00022 0.00032 0.00054 -3.13013 D28 -0.02486 0.00001 0.00029 0.00040 0.00068 -0.02418 D29 3.10674 0.00000 0.00088 -0.00020 0.00068 3.10742 D30 -0.02469 0.00000 0.00056 -0.00009 0.00047 -0.02423 D31 -0.00013 0.00000 0.00082 -0.00027 0.00055 0.00041 D32 -3.13156 0.00000 0.00050 -0.00016 0.00033 -3.13123 D33 -3.10314 -0.00003 -0.00115 -0.00058 -0.00172 -3.10487 D34 0.04058 -0.00002 -0.00190 -0.00014 -0.00204 0.03854 D35 3.13128 0.00000 0.00049 -0.00005 0.00045 3.13173 D36 -0.03298 0.00002 0.00250 -0.00024 0.00226 -0.03072 D37 -0.00830 0.00001 -0.00022 0.00036 0.00015 -0.00815 D38 3.11063 0.00003 0.00179 0.00018 0.00196 3.11259 D39 3.12749 0.00001 0.00062 0.00017 0.00079 3.12829 D40 -0.02380 0.00001 0.00083 -0.00013 0.00070 -0.02310 D41 0.00951 -0.00001 -0.00145 0.00035 -0.00110 0.00841 D42 3.14139 -0.00001 -0.00125 0.00006 -0.00119 3.14020 D43 0.00738 -0.00000 -0.00020 -0.00010 -0.00030 0.00707 D44 3.13913 -0.00000 0.00011 -0.00021 -0.00010 3.13903 D45 -3.12392 0.00000 -0.00042 0.00021 -0.00021 -3.12413 D46 0.00783 0.00000 -0.00011 0.00011 0.00000 0.00783 D47 2.68362 -0.00000 0.00068 -0.00001 0.00067 2.68429 D48 -0.48668 0.00000 0.00075 -0.00001 0.00075 -0.48594 D49 -0.41658 0.00002 0.00085 0.00008 0.00094 -0.41565 D50 2.69630 0.00002 0.00093 0.00008 0.00101 2.69732 D51 3.13440 -0.00000 0.00005 -0.00013 -0.00008 3.13432 D52 -0.00569 0.00000 0.00004 0.00004 0.00008 -0.00560 D53 0.02039 -0.00001 -0.00002 -0.00013 -0.00015 0.02024 D54 -3.11970 -0.00000 -0.00003 0.00004 0.00001 -3.11969 D55 -3.12269 0.00000 -0.00023 0.00020 -0.00003 -3.12272 D56 -0.01776 0.00002 -0.00004 0.00049 0.00045 -0.01730 D57 -0.01041 0.00000 -0.00015 0.00020 0.00005 -0.01036 D58 3.09452 0.00002 0.00004 0.00049 0.00053 3.09505 D59 -0.01429 0.00001 0.00016 0.00001 0.00017 -0.01412 D60 3.13173 0.00000 0.00010 -0.00002 0.00008 3.13180 D61 3.12577 0.00000 0.00017 -0.00016 0.00000 3.12577 D62 -0.01140 -0.00000 0.00010 -0.00019 -0.00009 -0.01149 D63 -0.00192 -0.00000 -0.00012 0.00004 -0.00008 -0.00200 D64 -3.13610 -0.00001 -0.00018 0.00002 -0.00015 -3.13625 D65 3.13525 0.00000 -0.00006 0.00007 0.00001 3.13526 D66 0.00106 -0.00000 -0.00011 0.00005 -0.00006 0.00101 D67 0.01187 0.00000 -0.00005 0.00004 -0.00002 0.01185 D68 -3.12288 -0.00001 -0.00016 -0.00019 -0.00036 -3.12324 D69 -3.13713 0.00000 -0.00000 0.00005 0.00005 -3.13708 D70 0.01130 -0.00001 -0.00011 -0.00018 -0.00029 0.01101 D71 -0.00565 -0.00000 0.00019 -0.00016 0.00003 -0.00561 D72 -3.11119 -0.00002 0.00001 -0.00044 -0.00043 -3.11163 D73 3.12913 0.00001 0.00030 0.00007 0.00037 3.12950 D74 0.02358 -0.00001 0.00012 -0.00021 -0.00009 0.02349 Item Value Threshold Converged? Maximum Force 0.000127 0.000450 YES RMS Force 0.000027 0.000300 YES Maximum Displacement 0.008503 0.001800 NO RMS Displacement 0.001873 0.001200 NO Predicted change in Energy=-5.215093D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.503799 -6.551549 1.289292 2 6 0 7.795688 -6.808469 2.047611 3 8 0 5.485697 -7.423843 1.683171 4 7 0 4.697513 -1.390402 2.100712 5 6 0 5.174448 -2.660197 1.904020 6 7 0 6.074524 -2.890968 1.020891 7 6 0 6.556601 -4.147324 0.796223 8 8 0 7.421105 -4.399514 0.007856 9 7 0 5.994052 -5.198628 1.540203 10 6 0 5.042186 -4.965795 2.463704 11 6 0 4.595408 -3.722162 2.694217 12 1 0 6.672107 -6.612454 0.226098 13 1 0 8.552713 -6.096080 1.749845 14 1 0 8.163107 -7.806865 1.826795 15 1 0 3.929445 -1.312374 2.726294 16 6 0 5.244819 -0.181176 1.665838 17 1 0 4.663753 -5.818185 2.986482 18 35 0 3.253535 -3.424499 3.995550 19 1 0 7.624838 -6.733519 3.116269 20 1 0 5.749548 -8.316028 1.504727 21 8 0 6.338639 -0.066373 1.223927 22 6 0 4.334838 0.997098 1.860815 23 6 0 4.930543 2.246411 1.999343 24 6 0 4.150616 3.374184 2.173213 25 6 0 2.767773 3.265383 2.193354 26 6 0 2.167439 2.027722 2.036991 27 6 0 2.948417 0.894901 1.874338 28 1 0 6.000833 2.317672 1.967265 29 1 0 4.617503 4.335448 2.288690 30 1 0 2.161173 4.143581 2.323705 31 1 0 1.095947 1.942517 2.035260 32 1 0 2.466391 -0.054515 1.726299 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519879 0.000000 3 O 1.397343 2.418172 0.000000 4 N 5.527975 6.241551 6.099015 0.000000 5 C 4.157845 4.909142 4.778908 1.370597 0.000000 6 N 3.695425 4.400383 4.618689 2.305183 1.281915 7 C 2.454832 3.191081 3.559365 3.571907 2.312814 8 O 2.667355 3.178675 3.962202 4.566481 3.415864 9 N 1.467376 2.468794 2.287016 4.061744 2.692163 10 C 2.455641 3.339215 2.616855 3.610263 2.376241 11 C 3.690691 4.492792 3.939196 2.408273 1.444807 12 H 1.078155 2.149131 2.046700 5.889230 4.547388 13 H 2.148862 1.081318 3.342751 6.093364 4.820968 14 H 2.148960 1.086531 2.708479 7.297696 5.951994 15 H 6.011757 6.753925 6.392189 0.993665 2.010671 16 C 6.504496 7.111519 7.246692 1.396741 2.491431 17 H 2.608456 3.416307 2.225387 4.515638 3.377191 18 Br 5.259894 5.989730 5.130730 3.132576 2.940844 19 H 2.151206 1.084821 2.665753 6.176526 4.905701 20 H 1.930982 2.598874 0.947340 7.030381 5.698999 21 O 6.487608 6.946748 7.420969 2.283659 2.923319 22 C 7.874840 8.540448 8.501075 2.426776 3.752682 23 C 8.965679 9.497486 9.691335 3.645681 4.913592 24 C 10.239089 10.816133 10.891279 4.796418 6.126537 25 C 10.542645 11.259825 11.041147 5.040715 6.402210 26 C 9.641937 10.476429 10.023377 4.253105 5.571029 27 C 8.272402 9.103184 8.699185 2.886727 4.194618 28 H 8.909304 9.301312 9.759261 3.932717 5.046394 29 H 11.094305 11.590766 11.806834 5.729494 7.028315 30 H 11.589401 12.319553 12.052719 6.091610 7.453010 31 H 10.097053 11.021181 10.350003 4.907536 6.151128 32 H 7.661793 8.609328 7.963985 2.627296 3.762278 6 7 8 9 10 6 N 0.000000 7 C 1.364297 0.000000 8 O 2.261688 1.196866 0.000000 9 N 2.366740 1.405421 2.241239 0.000000 10 C 2.729897 2.396631 3.465706 1.346519 0.000000 11 C 2.382999 2.762141 3.957259 2.338355 1.341406 12 H 3.852046 2.532834 2.346429 2.045858 3.221026 13 H 4.116496 2.948136 2.682052 2.719580 3.756453 14 H 5.401639 4.127369 3.933083 3.404384 4.268194 15 H 3.162550 4.320193 5.395557 4.557673 3.828137 16 C 2.906431 4.267006 5.027872 5.074639 4.854918 17 H 3.797687 3.342437 4.299747 2.060405 1.069148 18 Br 4.134154 4.654934 5.849871 4.084935 2.814501 19 H 4.643197 3.634851 3.892469 2.738491 3.196995 20 H 5.456279 4.304811 4.513735 3.127175 3.555848 21 O 2.844173 4.109088 4.628896 5.153525 5.217488 22 C 4.341548 5.703917 6.487058 6.422056 6.034891 23 C 5.353384 6.706073 7.371380 7.534618 7.228002 24 C 6.654426 8.016106 8.707195 8.791590 8.392528 25 C 7.085896 8.441292 9.229330 9.081573 8.543906 26 C 6.363276 7.676942 8.545627 8.192063 7.573343 27 C 4.983344 6.293279 7.177710 6.820457 6.251318 28 H 5.294429 6.593663 7.139821 7.528426 7.363039 29 H 7.480061 8.828646 9.453145 9.661973 9.312578 30 H 8.154540 9.507476 10.296335 10.128263 9.555133 31 H 7.012685 8.272854 9.183645 8.673665 7.967505 32 H 4.643456 5.860541 6.810378 6.240266 5.594564 11 12 13 14 15 11 C 0.000000 12 H 4.331060 0.000000 13 H 4.710370 2.474899 0.000000 14 H 5.492330 2.492374 1.756273 0.000000 15 H 2.500323 6.470242 6.723980 7.804576 0.000000 16 C 3.744046 6.743244 6.777560 8.166605 2.033319 17 H 2.117405 3.504864 4.090294 4.188699 4.572662 18 Br 1.892801 6.004869 6.345220 6.929107 2.555178 19 H 4.292300 3.045561 1.770422 1.761973 6.572429 20 H 4.883700 2.321243 3.584130 2.487618 7.338676 21 O 4.308759 6.630086 6.444850 7.975421 3.100620 22 C 4.799361 8.126525 8.253240 9.600342 2.499412 23 C 6.018225 9.200920 9.098326 10.561610 3.767706 24 C 7.129334 10.482467 10.451966 11.884272 4.724260 25 C 7.239951 10.802110 11.013593 12.322283 4.752827 26 C 6.275997 9.910802 10.336843 11.520039 3.838755 27 C 4.970116 8.540664 8.960884 10.144751 2.561309 28 H 6.243658 9.123016 8.794919 10.353811 4.247824 29 H 8.067838 11.328382 11.162124 12.657820 5.706384 30 H 8.242129 11.850771 12.084360 13.382200 5.749461 31 H 6.690967 10.370832 10.968312 12.043199 4.370417 32 H 4.349852 7.933802 8.575802 9.620893 2.173183 16 17 18 19 20 16 C 0.000000 17 H 5.818729 0.000000 18 Br 4.462277 2.955785 0.000000 19 H 7.120494 3.102048 5.552570 0.000000 20 H 8.152087 3.100607 6.030035 2.935663 0.000000 21 O 1.185288 6.244613 5.336363 7.048837 8.275427 22 C 1.501469 6.915446 5.027607 8.494863 9.426692 23 C 2.470460 8.129165 6.241508 9.441710 10.605684 24 C 3.754370 9.242530 7.095615 10.729642 11.817973 25 C 4.277008 9.313162 6.945387 11.154411 11.978909 26 C 3.806211 8.288025 5.894257 10.378216 10.959377 27 C 2.544577 7.017461 4.821810 9.033498 9.634529 28 H 2.628052 8.307752 6.680876 9.267235 10.646720 29 H 4.602321 10.177687 8.061672 11.500042 12.726192 30 H 5.352119 10.292666 7.827143 12.197995 12.991882 31 H 4.675433 8.594332 6.107600 10.911855 11.277198 32 H 2.781970 6.295741 4.138344 8.552817 8.892738 21 22 23 24 25 21 O 0.000000 22 C 2.356229 0.000000 23 C 2.816553 1.390984 0.000000 24 C 4.186409 2.404593 1.382168 0.000000 25 C 4.979103 2.776939 2.398649 1.387263 0.000000 26 C 4.737638 2.406417 2.772000 2.400939 1.384433 27 C 3.583390 1.390248 2.402297 2.771543 2.398664 28 H 2.519987 2.128564 1.073139 2.140545 3.376677 29 H 4.844797 3.377507 2.132086 1.074871 2.139072 30 H 6.031952 3.852200 3.372517 2.138341 1.075261 31 H 5.672717 3.378559 3.846787 3.376345 2.137749 32 H 3.904718 2.148274 3.382434 3.846079 3.366110 26 27 28 29 30 26 C 0.000000 27 C 1.385520 0.000000 28 H 3.844976 3.368999 0.000000 29 H 3.375169 3.846414 2.467455 0.000000 30 H 2.135206 3.372774 4.266612 2.464061 0.000000 31 H 1.074876 2.134254 4.919682 4.265174 2.462234 32 H 2.126408 1.075014 4.263521 4.920909 4.251361 31 32 31 H 0.000000 32 H 2.441661 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.489624 -0.727084 -0.352172 2 6 0 -5.095537 -1.151060 0.975663 3 8 0 -5.000460 0.497207 -0.791179 4 7 0 1.001666 -0.214899 0.024522 5 6 0 -0.359033 -0.363248 -0.046370 6 7 0 -0.881663 -1.518066 -0.237576 7 6 0 -2.232115 -1.690995 -0.325216 8 8 0 -2.761026 -2.755287 -0.466729 9 7 0 -3.037873 -0.542279 -0.245134 10 6 0 -2.496237 0.675422 -0.052909 11 6 0 -1.168316 0.829038 0.058427 12 1 0 -4.636813 -1.493762 -1.095784 13 1 0 -4.655091 -2.080869 1.308399 14 1 0 -6.165525 -1.302988 0.863443 15 1 0 1.329697 0.722039 0.068265 16 6 0 1.973711 -1.201876 0.203105 17 1 0 -3.175817 1.499386 -0.004626 18 35 0 -0.433909 2.553205 0.324116 19 1 0 -4.934001 -0.382737 1.724277 20 1 0 -5.936544 0.420990 -0.915239 21 8 0 1.738135 -2.316797 0.529239 22 6 0 3.377368 -0.709494 -0.001144 23 6 0 4.393837 -1.388175 0.662949 24 6 0 5.709486 -0.992378 0.511951 25 6 0 6.022425 0.074769 -0.317365 26 6 0 5.017806 0.742855 -0.996376 27 6 0 3.697436 0.354516 -0.836746 28 1 0 4.138692 -2.220981 1.289816 29 1 0 6.489349 -1.515416 1.035012 30 1 0 7.046521 0.379316 -0.438468 31 1 0 5.258798 1.559243 -1.652724 32 1 0 2.932238 0.865603 -1.392549 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5010418 0.1427312 0.1155216 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.8988549276 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= 339 RedAO= T EigKep= 4.33D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000107 0.000012 -0.000072 Ang= 0.01 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -3457.12292519 A.U. after 9 cycles NFock= 9 Conv=0.69D-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 0.000009028 0.000028405 -0.000000411 2 6 0.000014100 -0.000012676 0.000011244 3 8 -0.000031527 0.000051026 0.000010434 4 7 -0.000027802 -0.000029726 -0.000028517 5 6 0.000017831 0.000011954 0.000031158 6 7 0.000023869 -0.000038422 -0.000017214 7 6 -0.000030820 0.000022894 0.000047152 8 8 0.000030594 0.000025248 -0.000061706 9 7 -0.000010479 -0.000063917 0.000007111 10 6 -0.000016401 0.000001651 0.000001583 11 6 0.000034255 0.000010091 -0.000050379 12 1 0.000004833 -0.000009075 -0.000009813 13 1 -0.000006533 -0.000005565 -0.000000315 14 1 -0.000003350 -0.000003826 -0.000004255 15 1 -0.000003257 -0.000001377 0.000009657 16 6 -0.000031634 0.000035306 0.000004837 17 1 0.000006420 -0.000009849 0.000001921 18 35 -0.000037599 -0.000001698 0.000040882 19 1 -0.000003481 0.000000211 0.000004782 20 1 0.000019933 -0.000019421 0.000002784 21 8 0.000035903 0.000012140 -0.000007557 22 6 0.000004596 -0.000024180 -0.000003970 23 6 0.000017024 -0.000004980 -0.000002079 24 6 0.000005640 0.000022910 0.000001682 25 6 -0.000010267 0.000012609 0.000004226 26 6 -0.000007998 -0.000018872 -0.000001284 27 6 -0.000005820 -0.000002052 -0.000010225 28 1 0.000000023 0.000002644 0.000002816 29 1 -0.000002482 0.000001357 0.000001220 30 1 0.000004154 0.000003001 0.000000943 31 1 0.000001866 0.000001176 -0.000005018 32 1 -0.000000621 0.000003012 0.000018310 ------------------------------------------------------------------- Cartesian Forces: Max 0.000063917 RMS 0.000020348 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000062562 RMS 0.000015574 Search for a local minimum. Step number 34 out of a maximum of 170 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 15 23 22 26 27 28 29 30 31 32 33 34 DE= -5.11D-07 DEPred=-5.22D-07 R= 9.81D-01 Trust test= 9.81D-01 RLast= 8.77D-03 DXMaxT set to 2.48D-01 ITU= 0 1 1 1 1 1 0 1 0 0 -1 -1 0 0 0 0 0 0 -1 0 ITU= 1 1 1 1 1 1 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00269 0.00285 0.00389 0.00582 0.00947 Eigenvalues --- 0.01367 0.01561 0.01686 0.01709 0.01796 Eigenvalues --- 0.01856 0.01944 0.02072 0.02115 0.02120 Eigenvalues --- 0.02137 0.02155 0.02436 0.02486 0.02580 Eigenvalues --- 0.02633 0.02728 0.04612 0.05469 0.05619 Eigenvalues --- 0.05670 0.06066 0.06895 0.07320 0.08811 Eigenvalues --- 0.13996 0.15633 0.15769 0.15909 0.15979 Eigenvalues --- 0.15998 0.16011 0.16067 0.16118 0.16264 Eigenvalues --- 0.16555 0.19210 0.20199 0.21953 0.22009 Eigenvalues --- 0.22074 0.23344 0.23535 0.23853 0.24430 Eigenvalues --- 0.24811 0.25249 0.25600 0.26259 0.28029 Eigenvalues --- 0.28205 0.29749 0.31474 0.33583 0.33743 Eigenvalues --- 0.33871 0.34127 0.34355 0.35091 0.35380 Eigenvalues --- 0.36040 0.38359 0.38388 0.38438 0.38479 Eigenvalues --- 0.38654 0.39044 0.39821 0.41502 0.42774 Eigenvalues --- 0.43685 0.44498 0.47223 0.48053 0.50694 Eigenvalues --- 0.51116 0.53011 0.55618 0.56044 0.56443 Eigenvalues --- 0.58291 0.63371 0.73188 0.88577 0.93733 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 34 33 32 31 30 29 28 27 26 RFO step: Lambda=-1.78327601D-07. DidBck=F Rises=F RFO-DIIS coefs: 1.29554 -0.15307 -0.13990 -0.10033 0.11227 RFO-DIIS coefs: 0.05236 -0.02836 -0.04418 0.00568 Iteration 1 RMS(Cart)= 0.00052855 RMS(Int)= 0.00000145 Iteration 2 RMS(Cart)= 0.00000026 RMS(Int)= 0.00000145 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87215 0.00001 0.00006 -0.00004 0.00003 2.87218 R2 2.64060 -0.00001 -0.00003 0.00005 0.00002 2.64062 R3 2.77294 -0.00003 -0.00008 -0.00002 -0.00009 2.77285 R4 2.03742 0.00001 0.00000 0.00002 0.00002 2.03744 R5 2.04340 -0.00001 0.00002 -0.00002 0.00000 2.04340 R6 2.05325 0.00000 0.00001 -0.00001 -0.00000 2.05324 R7 2.05002 0.00001 0.00002 -0.00001 0.00001 2.05003 R8 1.79021 0.00002 0.00004 -0.00001 0.00004 1.79025 R9 2.59005 0.00002 -0.00000 -0.00000 -0.00000 2.59005 R10 1.87776 0.00001 0.00003 -0.00001 0.00002 1.87777 R11 2.63946 0.00004 0.00009 0.00000 0.00010 2.63956 R12 2.42247 0.00002 0.00004 -0.00002 0.00003 2.42250 R13 2.73029 -0.00000 0.00002 -0.00004 -0.00003 2.73026 R14 2.57815 -0.00001 -0.00002 0.00000 -0.00002 2.57813 R15 2.26175 0.00006 0.00005 -0.00001 0.00004 2.26179 R16 2.65586 0.00004 0.00004 0.00001 0.00005 2.65591 R17 2.54455 0.00000 -0.00004 0.00008 0.00004 2.54459 R18 2.53489 0.00000 0.00001 -0.00002 -0.00001 2.53488 R19 2.02040 0.00001 0.00000 0.00001 0.00001 2.02040 R20 3.57687 0.00005 0.00005 0.00017 0.00022 3.57710 R21 2.23987 0.00004 0.00003 -0.00000 0.00003 2.23990 R22 2.83737 -0.00001 -0.00009 0.00004 -0.00004 2.83732 R23 2.62858 0.00002 0.00000 0.00001 0.00001 2.62859 R24 2.62719 0.00001 0.00001 0.00003 0.00004 2.62723 R25 2.61192 0.00002 0.00003 0.00002 0.00005 2.61197 R26 2.02794 0.00000 -0.00000 -0.00000 -0.00000 2.02794 R27 2.62155 0.00001 -0.00001 -0.00000 -0.00001 2.62154 R28 2.03121 0.00000 0.00000 -0.00000 -0.00000 2.03121 R29 2.61620 0.00002 0.00004 0.00001 0.00005 2.61625 R30 2.03195 0.00000 0.00001 -0.00001 0.00000 2.03195 R31 2.61825 0.00000 -0.00004 0.00001 -0.00004 2.61822 R32 2.03122 -0.00000 -0.00001 0.00000 -0.00001 2.03122 R33 2.03148 -0.00000 -0.00000 -0.00002 -0.00002 2.03146 A1 1.95319 -0.00000 0.00009 -0.00013 -0.00004 1.95315 A2 1.94531 0.00004 -0.00001 0.00008 0.00007 1.94538 A3 1.92812 -0.00001 -0.00004 0.00002 -0.00002 1.92810 A4 1.84861 -0.00004 -0.00016 0.00003 -0.00013 1.84849 A5 1.93525 0.00001 0.00000 0.00004 0.00004 1.93529 A6 1.84932 0.00001 0.00012 -0.00004 0.00008 1.84940 A7 1.92444 -0.00000 -0.00015 0.00010 -0.00005 1.92439 A8 1.91916 -0.00001 0.00012 -0.00015 -0.00003 1.91913 A9 1.92405 -0.00000 -0.00001 0.00004 0.00003 1.92408 A10 1.88880 0.00000 0.00001 -0.00000 0.00001 1.88880 A11 1.91348 0.00000 -0.00002 0.00003 0.00001 1.91348 A12 1.89330 0.00000 0.00005 -0.00001 0.00004 1.89334 A13 1.90910 -0.00002 -0.00001 -0.00005 -0.00005 1.90904 A14 2.01759 -0.00002 0.00003 -0.00010 -0.00007 2.01751 A15 2.24087 0.00003 -0.00018 0.00012 -0.00005 2.24082 A16 2.01630 -0.00001 0.00003 -0.00004 -0.00001 2.01629 A17 2.10595 0.00003 -0.00002 0.00009 0.00007 2.10602 A18 2.05219 -0.00002 0.00007 -0.00009 -0.00002 2.05217 A19 2.12452 -0.00001 -0.00005 -0.00000 -0.00006 2.12446 A20 2.12625 0.00002 0.00004 0.00003 0.00006 2.12631 A21 2.16245 -0.00004 -0.00014 0.00005 -0.00009 2.16237 A22 2.04906 -0.00001 -0.00000 0.00001 -0.00000 2.04906 A23 2.07167 0.00005 0.00015 -0.00006 0.00009 2.07175 A24 2.04893 0.00006 0.00009 0.00009 0.00018 2.04911 A25 2.12031 -0.00005 -0.00009 -0.00003 -0.00012 2.12019 A26 2.11375 -0.00001 0.00002 -0.00007 -0.00006 2.11370 A27 2.11019 0.00001 -0.00000 0.00004 0.00003 2.11022 A28 2.03500 -0.00001 -0.00012 0.00005 -0.00007 2.03493 A29 2.13795 0.00000 0.00013 -0.00009 0.00004 2.13799 A30 2.04202 0.00001 0.00003 -0.00000 0.00003 2.04205 A31 2.14665 0.00002 0.00006 0.00003 0.00009 2.14674 A32 2.09447 -0.00002 -0.00009 -0.00002 -0.00011 2.09436 A33 2.16704 0.00001 -0.00011 0.00003 -0.00009 2.16695 A34 1.98393 0.00000 0.00003 0.00006 0.00009 1.98402 A35 2.13140 -0.00001 0.00009 -0.00009 -0.00000 2.13140 A36 2.04677 -0.00000 0.00006 -0.00011 -0.00004 2.04672 A37 2.15073 0.00001 -0.00007 0.00014 0.00007 2.15080 A38 2.08534 -0.00000 0.00001 -0.00004 -0.00003 2.08531 A39 2.09868 0.00000 -0.00001 0.00003 0.00002 2.09871 A40 2.07577 0.00000 0.00001 0.00000 0.00001 2.07578 A41 2.10873 -0.00000 -0.00000 -0.00003 -0.00003 2.10870 A42 2.09476 -0.00000 -0.00002 0.00000 -0.00001 2.09474 A43 2.09222 0.00001 0.00005 -0.00003 0.00002 2.09224 A44 2.09620 -0.00000 -0.00003 0.00002 -0.00001 2.09619 A45 2.09523 -0.00000 0.00002 -0.00002 -0.00001 2.09523 A46 2.09445 -0.00000 -0.00006 0.00003 -0.00003 2.09442 A47 2.09348 0.00001 0.00004 -0.00001 0.00003 2.09351 A48 2.09413 0.00000 -0.00001 0.00002 0.00001 2.09414 A49 2.09823 -0.00000 0.00000 -0.00002 -0.00002 2.09821 A50 2.09081 -0.00000 0.00001 0.00000 0.00001 2.09082 A51 2.09805 0.00000 0.00001 0.00001 0.00002 2.09806 A52 2.10684 0.00000 -0.00002 0.00006 0.00004 2.10688 A53 2.07774 -0.00000 0.00002 -0.00006 -0.00005 2.07770 D1 -3.10411 0.00001 0.00006 -0.00010 -0.00004 -3.10414 D2 1.09772 0.00001 0.00006 -0.00006 0.00000 1.09773 D3 -0.98896 0.00001 -0.00007 0.00003 -0.00004 -0.98900 D4 -1.03754 -0.00002 -0.00009 -0.00009 -0.00018 -1.03772 D5 -3.11890 -0.00002 -0.00009 -0.00005 -0.00014 -3.11903 D6 1.07761 -0.00002 -0.00022 0.00004 -0.00018 1.07743 D7 1.01359 0.00001 0.00003 -0.00007 -0.00004 1.01355 D8 -1.06776 0.00001 0.00003 -0.00003 -0.00000 -1.06777 D9 3.12874 0.00001 -0.00010 0.00005 -0.00005 3.12870 D10 -1.06269 0.00001 0.00026 0.00050 0.00075 -1.06194 D11 3.09731 -0.00000 0.00032 0.00045 0.00077 3.09808 D12 1.09880 0.00001 0.00027 0.00046 0.00073 1.09952 D13 1.42752 0.00001 0.00095 -0.00002 0.00094 1.42846 D14 -1.69313 0.00001 0.00073 0.00008 0.00081 -1.69232 D15 -2.72742 0.00000 0.00095 -0.00011 0.00084 -2.72658 D16 0.43511 0.00000 0.00072 -0.00001 0.00071 0.43582 D17 -0.67066 -0.00000 0.00093 -0.00006 0.00087 -0.66979 D18 2.49187 -0.00000 0.00071 0.00003 0.00074 2.49261 D19 3.02224 -0.00000 -0.00035 0.00007 -0.00028 3.02196 D20 -0.08515 0.00001 -0.00009 0.00012 0.00003 -0.08512 D21 -0.26603 -0.00001 -0.00127 -0.00012 -0.00139 -0.26742 D22 2.90976 0.00000 -0.00101 -0.00007 -0.00108 2.90868 D23 -0.21479 0.00000 0.00013 0.00016 0.00028 -0.21450 D24 2.96945 0.00001 -0.00002 0.00033 0.00031 2.96976 D25 2.78022 -0.00000 -0.00079 -0.00004 -0.00083 2.77939 D26 -0.31873 0.00000 -0.00094 0.00014 -0.00081 -0.31954 D27 -3.13013 0.00001 0.00044 -0.00000 0.00043 -3.12970 D28 -0.02418 -0.00000 0.00016 -0.00005 0.00011 -0.02407 D29 3.10742 -0.00001 -0.00024 -0.00005 -0.00028 3.10713 D30 -0.02423 -0.00001 -0.00026 -0.00017 -0.00044 -0.02466 D31 0.00041 0.00000 0.00003 -0.00000 0.00003 0.00044 D32 -3.13123 0.00000 0.00000 -0.00013 -0.00012 -3.13136 D33 -3.10487 -0.00001 -0.00034 -0.00003 -0.00037 -3.10523 D34 0.03854 0.00000 -0.00033 0.00009 -0.00024 0.03830 D35 3.13173 -0.00000 0.00009 0.00002 0.00011 3.13184 D36 -0.03072 0.00000 0.00031 -0.00007 0.00024 -0.03048 D37 -0.00815 0.00001 0.00010 0.00013 0.00024 -0.00791 D38 3.11259 0.00001 0.00033 0.00004 0.00036 3.11295 D39 3.12829 0.00000 0.00011 -0.00008 0.00003 3.12831 D40 -0.02310 0.00000 0.00009 0.00006 0.00015 -0.02295 D41 0.00841 -0.00000 -0.00013 0.00002 -0.00011 0.00830 D42 3.14020 0.00000 -0.00015 0.00016 0.00002 3.14022 D43 0.00707 -0.00000 -0.00004 0.00002 -0.00003 0.00705 D44 3.13903 -0.00000 -0.00002 0.00014 0.00012 3.13915 D45 -3.12413 -0.00000 -0.00003 -0.00013 -0.00016 -3.12429 D46 0.00783 -0.00000 -0.00000 -0.00001 -0.00001 0.00781 D47 2.68429 0.00000 0.00098 -0.00007 0.00092 2.68520 D48 -0.48594 0.00000 0.00107 -0.00012 0.00094 -0.48499 D49 -0.41565 0.00001 0.00084 0.00010 0.00094 -0.41470 D50 2.69732 0.00001 0.00092 0.00004 0.00097 2.69828 D51 3.13432 -0.00000 -0.00001 0.00000 -0.00001 3.13431 D52 -0.00560 -0.00000 0.00002 -0.00011 -0.00009 -0.00570 D53 0.02024 -0.00000 -0.00009 0.00006 -0.00004 0.02020 D54 -3.11969 -0.00000 -0.00006 -0.00006 -0.00012 -3.11980 D55 -3.12272 0.00000 -0.00001 0.00007 0.00006 -3.12266 D56 -0.01730 0.00001 0.00019 0.00006 0.00024 -0.01706 D57 -0.01036 0.00000 0.00007 0.00001 0.00008 -0.01028 D58 3.09505 0.00001 0.00027 -0.00000 0.00027 3.09532 D59 -0.01412 -0.00000 0.00003 -0.00003 -0.00001 -0.01412 D60 3.13180 -0.00000 0.00007 -0.00014 -0.00006 3.13174 D61 3.12577 0.00000 -0.00001 0.00008 0.00008 3.12585 D62 -0.01149 0.00000 0.00004 -0.00002 0.00002 -0.01147 D63 -0.00200 0.00000 0.00006 -0.00006 0.00000 -0.00200 D64 -3.13625 0.00000 0.00001 -0.00003 -0.00002 -3.13627 D65 3.13526 0.00000 0.00001 0.00004 0.00006 3.13531 D66 0.00101 0.00000 -0.00003 0.00007 0.00004 0.00104 D67 0.01185 0.00000 -0.00008 0.00013 0.00004 0.01189 D68 -3.12324 -0.00000 -0.00004 0.00007 0.00003 -3.12321 D69 -3.13708 0.00000 -0.00004 0.00010 0.00006 -3.13702 D70 0.01101 0.00000 0.00001 0.00005 0.00005 0.01107 D71 -0.00561 -0.00000 0.00002 -0.00010 -0.00009 -0.00570 D72 -3.11163 -0.00001 -0.00018 -0.00009 -0.00027 -3.11190 D73 3.12950 -0.00000 -0.00002 -0.00005 -0.00008 3.12943 D74 0.02349 -0.00001 -0.00022 -0.00004 -0.00026 0.02323 Item Value Threshold Converged? Maximum Force 0.000063 0.000450 YES RMS Force 0.000016 0.000300 YES Maximum Displacement 0.002585 0.001800 NO RMS Displacement 0.000529 0.001200 YES Predicted change in Energy=-8.598850D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.503985 -6.551519 1.289070 2 6 0 7.795463 -6.808841 2.047980 3 8 0 5.485492 -7.423592 1.682465 4 7 0 4.697180 -1.390522 2.100436 5 6 0 5.174496 -2.660192 1.903874 6 7 0 6.074380 -2.890935 1.020523 7 6 0 6.556455 -4.147243 0.795647 8 8 0 7.420554 -4.399288 0.006754 9 7 0 5.994324 -5.198605 1.539907 10 6 0 5.042655 -4.965797 2.463646 11 6 0 4.595791 -3.722211 2.694219 12 1 0 6.672795 -6.612402 0.225943 13 1 0 8.552799 -6.096640 1.750550 14 1 0 8.162687 -7.807326 1.827249 15 1 0 3.929118 -1.312723 2.726071 16 6 0 5.244794 -0.181087 1.666364 17 1 0 4.664569 -5.818224 2.986623 18 35 0 3.254268 -3.424818 3.996146 19 1 0 7.624172 -6.733875 3.116572 20 1 0 5.749528 -8.315876 1.504683 21 8 0 6.338964 -0.066207 1.225295 22 6 0 4.334765 0.997166 1.861065 23 6 0 4.930461 2.246524 1.999295 24 6 0 4.150531 3.374369 2.172898 25 6 0 2.767694 3.265572 2.193055 26 6 0 2.167358 2.027846 2.036981 27 6 0 2.948322 0.894992 1.874659 28 1 0 6.000751 2.317784 1.967281 29 1 0 4.617412 4.335657 2.288203 30 1 0 2.161117 4.143816 2.323212 31 1 0 1.095867 1.942658 2.035234 32 1 0 2.466252 -0.054464 1.727099 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519893 0.000000 3 O 1.397355 2.418158 0.000000 4 N 5.527997 6.241818 6.098695 0.000000 5 C 4.157878 4.909330 4.778674 1.370594 0.000000 6 N 3.695477 4.400884 4.618435 2.305240 1.281930 7 C 2.454946 3.191799 3.559196 3.571959 2.312855 8 O 2.667682 3.180111 3.962182 4.566503 3.415889 9 N 1.467327 2.468826 2.286876 4.061806 2.692235 10 C 2.455530 3.338793 2.616698 3.610245 2.376246 11 C 3.690614 4.492529 3.938964 2.408242 1.444794 12 H 1.078166 2.149137 2.046747 5.889381 4.547562 13 H 2.148841 1.081320 3.342725 6.093912 4.821371 14 H 2.148949 1.086530 2.708428 7.297927 5.952155 15 H 6.011647 6.753943 6.391725 0.993676 2.010634 16 C 6.504637 7.111867 7.246521 1.396793 2.491448 17 H 2.608229 3.415387 2.225298 4.515632 3.377209 18 Br 5.259769 5.989108 5.130466 3.132742 2.941008 19 H 2.151241 1.084827 2.665769 6.176669 4.905756 20 H 1.930972 2.598495 0.947360 7.030142 5.698840 21 O 6.487725 6.947037 7.420818 2.283667 2.923220 22 C 7.874982 8.540791 8.500897 2.426870 3.752765 23 C 8.965821 9.497907 9.691212 3.645922 4.913707 24 C 10.239294 10.816603 10.891218 4.796693 6.126729 25 C 10.542880 11.260253 11.041076 5.040903 6.402421 26 C 9.642158 10.476771 10.023243 4.253148 5.571203 27 C 8.272616 9.103508 8.699024 2.886703 4.194763 28 H 8.909419 9.301762 9.759151 3.933009 5.046480 29 H 11.094504 11.591270 11.806796 5.729812 7.028510 30 H 11.589656 12.319996 12.052674 6.091809 7.453242 31 H 10.097303 11.021501 10.349874 4.907524 6.151316 32 H 7.662041 8.609591 7.963784 2.627066 3.762400 6 7 8 9 10 6 N 0.000000 7 C 1.364286 0.000000 8 O 2.261646 1.196890 0.000000 9 N 2.366751 1.405445 2.241338 0.000000 10 C 2.729857 2.396632 3.465783 1.346539 0.000000 11 C 2.382962 2.762143 3.957296 2.338391 1.341402 12 H 3.852113 2.532807 2.346286 2.045885 3.221177 13 H 4.117286 2.949131 2.683990 2.719675 3.756118 14 H 5.402105 4.128001 3.934423 3.404378 4.267773 15 H 3.162562 4.320178 5.395526 4.557646 3.828026 16 C 2.906647 4.267199 5.028067 5.074768 4.854891 17 H 3.797649 3.342422 4.299820 2.060380 1.069151 18 Br 4.134295 4.655054 5.850024 4.085014 2.814516 19 H 4.643648 3.635571 3.893934 2.738491 3.196348 20 H 5.456183 4.304808 4.513953 3.127067 3.555602 21 O 2.844473 4.109350 4.629285 5.153568 5.217271 22 C 4.341670 5.704031 6.487086 6.422216 6.034993 23 C 5.353506 6.706182 7.371404 7.534771 7.228124 24 C 6.654562 8.016230 8.707180 8.791822 8.392782 25 C 7.086013 8.441403 9.229253 9.081852 8.544244 26 C 6.363365 7.677031 8.545522 8.192335 7.573667 27 C 4.983476 6.293411 7.177697 6.820712 6.251559 28 H 5.294575 6.593793 7.139928 7.528532 7.363076 29 H 7.480200 8.828771 9.453141 9.662193 9.312822 30 H 8.154652 9.507581 10.296227 10.128567 9.555524 31 H 7.012763 8.272937 9.183500 8.673976 7.967900 32 H 4.643642 5.860734 6.810447 6.240554 5.594779 11 12 13 14 15 11 C 0.000000 12 H 4.331228 0.000000 13 H 4.710238 2.474844 0.000000 14 H 5.492044 2.492348 1.756280 0.000000 15 H 2.500220 6.470317 6.724279 7.804541 0.000000 16 C 3.743961 6.743575 6.778181 8.166976 2.033367 17 H 2.117428 3.505003 4.089465 4.187780 4.572561 18 Br 1.892918 6.005118 6.344743 6.928424 2.555281 19 H 4.291806 3.045588 1.770433 1.762001 6.572276 20 H 4.883428 2.321512 3.583823 2.487168 7.338245 21 O 4.308451 6.630447 6.445392 7.975791 3.100562 22 C 4.799458 8.126841 8.253854 9.600688 2.499674 23 C 6.018364 9.201145 9.098988 10.562044 3.768172 24 C 7.129620 10.482750 10.452672 11.884745 4.724813 25 C 7.240318 10.802487 11.014275 12.322696 4.753293 26 C 6.276337 9.911242 10.337465 11.520355 3.839016 27 C 4.970351 8.541132 8.961500 10.145057 2.561419 28 H 6.243708 9.123164 8.795592 10.354295 4.248294 29 H 8.068119 11.328615 11.162847 12.658337 5.706984 30 H 8.242552 11.851160 12.085052 13.382624 5.749951 31 H 6.691372 10.371341 10.968919 12.043479 4.370591 32 H 4.350014 7.934420 8.576392 9.621137 2.172818 16 17 18 19 20 16 C 0.000000 17 H 5.818681 0.000000 18 Br 4.462271 2.955753 0.000000 19 H 7.120644 3.100735 5.551538 0.000000 20 H 8.152036 3.100250 6.029607 2.935166 0.000000 21 O 1.185304 6.244323 5.336031 7.048865 8.275418 22 C 1.501447 6.915576 5.027921 8.495028 9.426628 23 C 2.470414 8.129309 6.241887 9.442031 10.605649 24 C 3.754366 9.242843 7.096229 10.730019 11.818001 25 C 4.277019 9.313605 6.946165 11.154695 11.978945 26 C 3.806227 8.288468 5.895019 10.378348 10.959374 27 C 2.544625 7.017780 4.822351 9.033578 9.634507 28 H 2.627999 8.307771 6.681088 9.267627 10.646682 29 H 4.602311 10.177982 8.062270 11.500493 12.726228 30 H 5.352131 10.293183 7.828021 12.198301 12.991944 31 H 4.675463 8.594886 6.108491 10.911933 11.277214 32 H 2.782089 6.296024 4.138699 8.552737 8.892710 21 22 23 24 25 21 O 0.000000 22 C 2.356221 0.000000 23 C 2.816323 1.390991 0.000000 24 C 4.186257 2.404636 1.382195 0.000000 25 C 4.979084 2.776975 2.398659 1.387257 0.000000 26 C 4.737741 2.406429 2.771999 2.400953 1.384459 27 C 3.583577 1.390269 2.402300 2.771564 2.398677 28 H 2.519591 2.128573 1.073138 2.140552 3.376675 29 H 4.844576 3.377552 2.132122 1.074871 2.139063 30 H 6.031924 3.852237 3.372522 2.138320 1.075262 31 H 5.672883 3.378572 3.846782 3.376347 2.137759 32 H 3.905105 2.148305 3.382449 3.846094 3.366099 26 27 28 29 30 26 C 0.000000 27 C 1.385501 0.000000 28 H 3.844974 3.369012 0.000000 29 H 3.375184 3.846434 2.467474 0.000000 30 H 2.135250 3.372795 4.266600 2.464024 0.000000 31 H 1.074873 2.134239 4.919677 4.265175 2.462272 32 H 2.126354 1.075004 4.263559 4.920924 4.251354 31 32 31 H 0.000000 32 H 2.441597 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.489598 -0.727458 -0.352102 2 6 0 -5.095723 -1.150339 0.976001 3 8 0 -5.000145 0.496652 -0.791984 4 7 0 1.001703 -0.214723 0.024004 5 6 0 -0.358985 -0.363340 -0.046480 6 7 0 -0.881529 -1.518215 -0.237677 7 6 0 -2.231941 -1.691322 -0.325410 8 8 0 -2.760601 -2.755716 -0.467284 9 7 0 -3.037882 -0.542718 -0.245140 10 6 0 -2.496334 0.675045 -0.052923 11 6 0 -1.168428 0.828819 0.058341 12 1 0 -4.636917 -1.494659 -1.095166 13 1 0 -4.655521 -2.080034 1.309381 14 1 0 -6.165735 -1.302087 0.863770 15 1 0 1.329505 0.722317 0.067518 16 6 0 1.973898 -1.201431 0.203664 17 1 0 -3.176054 1.498888 -0.004477 18 35 0 -0.434380 2.553237 0.324225 19 1 0 -4.934041 -0.381546 1.724109 20 1 0 -5.936356 0.420689 -0.915396 21 8 0 1.738339 -2.316032 0.530959 22 6 0 3.377531 -0.709211 -0.000978 23 6 0 4.394052 -1.387905 0.663035 24 6 0 5.709755 -0.992312 0.511719 25 6 0 6.022671 0.074638 -0.317849 26 6 0 5.017983 0.742741 -0.996796 27 6 0 3.697604 0.354649 -0.836803 28 1 0 4.138929 -2.220520 1.290163 29 1 0 6.489650 -1.515319 1.034763 30 1 0 7.046790 0.379020 -0.439175 31 1 0 5.258970 1.558954 -1.653357 32 1 0 2.932384 0.865929 -1.392377 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5010206 0.1427216 0.1155191 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.8656667660 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= 339 RedAO= T EigKep= 4.33D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000048 0.000006 -0.000026 Ang= 0.01 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -3457.12292530 A.U. after 8 cycles NFock= 8 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 0.000002273 0.000014383 0.000002705 2 6 -0.000000421 -0.000001307 -0.000001949 3 8 -0.000010096 0.000003395 -0.000008455 4 7 -0.000001470 0.000010133 -0.000008575 5 6 0.000000808 -0.000009358 -0.000003148 6 7 -0.000001020 -0.000002026 0.000003469 7 6 0.000000307 0.000002343 0.000002720 8 8 0.000007063 0.000007652 -0.000005467 9 7 -0.000012877 -0.000011636 0.000002986 10 6 0.000008884 -0.000003629 0.000007032 11 6 0.000007381 -0.000007540 -0.000008819 12 1 -0.000003804 -0.000001529 0.000000999 13 1 0.000001331 -0.000001130 0.000001151 14 1 0.000001986 -0.000002354 -0.000001091 15 1 0.000001370 0.000000992 0.000002257 16 6 -0.000008551 -0.000000854 0.000003505 17 1 -0.000002720 -0.000000011 -0.000000768 18 35 -0.000005759 0.000001958 0.000004192 19 1 0.000000616 0.000000281 0.000000303 20 1 0.000005977 -0.000002781 0.000007905 21 8 0.000007030 0.000004308 -0.000003392 22 6 -0.000006932 -0.000008553 -0.000002669 23 6 0.000006618 0.000008808 0.000005807 24 6 0.000008661 -0.000000374 0.000003095 25 6 -0.000008423 0.000000048 -0.000003019 26 6 -0.000004475 0.000007765 0.000004896 27 6 0.000007944 -0.000007192 -0.000002908 28 1 -0.000001207 0.000000347 -0.000001609 29 1 0.000000141 0.000000061 -0.000001143 30 1 0.000000179 -0.000000282 -0.000001168 31 1 -0.000000109 -0.000001038 -0.000000248 32 1 -0.000000708 -0.000000879 0.000001407 ------------------------------------------------------------------- Cartesian Forces: Max 0.000014383 RMS 0.000005162 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000012209 RMS 0.000003347 Search for a local minimum. Step number 35 out of a maximum of 170 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 15 23 22 26 27 28 29 30 31 32 33 34 35 DE= -1.05D-07 DEPred=-8.60D-08 R= 1.23D+00 Trust test= 1.23D+00 RLast= 3.96D-03 DXMaxT set to 2.48D-01 ITU= 0 0 1 1 1 1 1 0 1 0 0 -1 -1 0 0 0 0 0 0 -1 ITU= 0 1 1 1 1 1 1 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00278 0.00286 0.00392 0.00577 0.00900 Eigenvalues --- 0.01359 0.01563 0.01676 0.01709 0.01807 Eigenvalues --- 0.01897 0.01944 0.02027 0.02115 0.02133 Eigenvalues --- 0.02153 0.02166 0.02430 0.02489 0.02592 Eigenvalues --- 0.02641 0.02740 0.04654 0.05494 0.05622 Eigenvalues --- 0.05664 0.06087 0.06925 0.07401 0.08820 Eigenvalues --- 0.14007 0.15649 0.15775 0.15919 0.15989 Eigenvalues --- 0.15996 0.16008 0.16074 0.16143 0.16271 Eigenvalues --- 0.16577 0.19366 0.19890 0.21950 0.21999 Eigenvalues --- 0.22065 0.23376 0.23539 0.23814 0.24531 Eigenvalues --- 0.24808 0.25210 0.25639 0.26421 0.28010 Eigenvalues --- 0.28423 0.29768 0.31421 0.33543 0.33778 Eigenvalues --- 0.33904 0.34094 0.34163 0.35119 0.35258 Eigenvalues --- 0.35474 0.38358 0.38395 0.38438 0.38502 Eigenvalues --- 0.38649 0.39066 0.39758 0.41723 0.42890 Eigenvalues --- 0.43449 0.44587 0.47141 0.48221 0.50360 Eigenvalues --- 0.51047 0.52131 0.55632 0.55997 0.56421 Eigenvalues --- 0.58254 0.62384 0.73332 0.88558 0.92190 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 35 34 33 32 31 30 29 28 27 26 RFO step: Lambda=-2.17545707D-08. 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: 1.00605 0.17497 -0.21868 0.01635 0.01195 RFO-DIIS coefs: 0.00874 0.00674 -0.00612 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00058316 RMS(Int)= 0.00000042 Iteration 2 RMS(Cart)= 0.00000014 RMS(Int)= 0.00000041 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87218 0.00000 0.00006 -0.00005 0.00001 2.87219 R2 2.64062 0.00000 -0.00001 0.00002 0.00001 2.64062 R3 2.77285 -0.00001 -0.00000 -0.00002 -0.00002 2.77282 R4 2.03744 -0.00000 0.00001 -0.00001 -0.00000 2.03744 R5 2.04340 -0.00000 0.00002 -0.00002 -0.00000 2.04340 R6 2.05324 0.00000 0.00001 -0.00001 0.00001 2.05325 R7 2.05003 0.00000 0.00001 -0.00001 -0.00000 2.05003 R8 1.79025 0.00000 0.00002 -0.00002 0.00000 1.79026 R9 2.59005 0.00001 0.00001 0.00001 0.00001 2.59006 R10 1.87777 0.00000 0.00000 -0.00001 -0.00000 1.87777 R11 2.63956 0.00000 0.00002 -0.00002 0.00000 2.63956 R12 2.42250 -0.00001 0.00001 -0.00002 -0.00001 2.42249 R13 2.73026 0.00000 0.00002 -0.00001 0.00001 2.73027 R14 2.57813 -0.00000 -0.00001 0.00001 -0.00001 2.57812 R15 2.26179 0.00001 0.00002 -0.00001 0.00001 2.26180 R16 2.65591 0.00001 0.00003 -0.00000 0.00002 2.65593 R17 2.54459 -0.00000 -0.00001 0.00001 -0.00000 2.54459 R18 2.53488 -0.00000 0.00000 -0.00001 -0.00001 2.53488 R19 2.02040 0.00000 0.00000 -0.00000 0.00000 2.02040 R20 3.57710 0.00001 0.00009 -0.00004 0.00005 3.57715 R21 2.23990 0.00001 0.00001 0.00000 0.00001 2.23991 R22 2.83732 -0.00000 -0.00002 0.00003 0.00001 2.83733 R23 2.62859 0.00001 0.00002 0.00001 0.00002 2.62861 R24 2.62723 -0.00000 -0.00002 0.00002 -0.00001 2.62722 R25 2.61197 -0.00000 -0.00001 0.00001 -0.00000 2.61197 R26 2.02794 -0.00000 -0.00001 0.00001 -0.00000 2.02793 R27 2.62154 0.00001 0.00001 0.00001 0.00002 2.62155 R28 2.03121 -0.00000 -0.00001 0.00001 0.00000 2.03121 R29 2.61625 0.00000 -0.00002 0.00001 -0.00000 2.61625 R30 2.03195 -0.00000 -0.00001 0.00001 -0.00000 2.03195 R31 2.61822 0.00001 0.00001 0.00001 0.00002 2.61823 R32 2.03122 0.00000 -0.00001 0.00001 0.00000 2.03122 R33 2.03146 0.00000 -0.00001 0.00001 0.00000 2.03146 A1 1.95315 -0.00000 0.00002 -0.00003 -0.00001 1.95314 A2 1.94538 0.00001 0.00002 0.00001 0.00003 1.94541 A3 1.92810 -0.00000 0.00001 -0.00002 -0.00001 1.92810 A4 1.84849 -0.00000 -0.00007 0.00005 -0.00002 1.84847 A5 1.93529 0.00000 0.00000 -0.00002 -0.00002 1.93528 A6 1.84940 0.00000 0.00002 0.00001 0.00002 1.84942 A7 1.92439 0.00000 -0.00001 0.00002 0.00001 1.92440 A8 1.91913 0.00000 0.00003 -0.00003 -0.00001 1.91912 A9 1.92408 0.00000 0.00002 -0.00002 0.00000 1.92408 A10 1.88880 -0.00000 -0.00002 0.00001 -0.00001 1.88880 A11 1.91348 -0.00000 -0.00001 0.00001 -0.00000 1.91348 A12 1.89334 -0.00000 -0.00000 0.00001 0.00000 1.89335 A13 1.90904 -0.00000 -0.00005 0.00003 -0.00002 1.90903 A14 2.01751 -0.00000 0.00002 -0.00006 -0.00005 2.01747 A15 2.24082 0.00001 0.00003 0.00004 0.00007 2.24089 A16 2.01629 -0.00001 -0.00004 0.00001 -0.00003 2.01627 A17 2.10602 -0.00000 0.00004 -0.00001 0.00003 2.10605 A18 2.05217 0.00000 -0.00002 0.00001 -0.00001 2.05216 A19 2.12446 -0.00000 -0.00001 -0.00000 -0.00002 2.12445 A20 2.12631 0.00000 0.00000 0.00001 0.00001 2.12632 A21 2.16237 -0.00001 -0.00004 0.00000 -0.00003 2.16234 A22 2.04906 -0.00000 0.00003 -0.00002 0.00000 2.04906 A23 2.07175 0.00001 0.00001 0.00002 0.00003 2.07178 A24 2.04911 0.00001 0.00009 -0.00007 0.00002 2.04913 A25 2.12019 -0.00001 -0.00005 0.00004 -0.00001 2.12017 A26 2.11370 0.00000 -0.00004 0.00003 -0.00000 2.11369 A27 2.11022 -0.00000 0.00003 -0.00003 -0.00001 2.11022 A28 2.03493 0.00000 -0.00002 0.00003 0.00001 2.03494 A29 2.13799 0.00000 -0.00001 0.00000 -0.00001 2.13798 A30 2.04205 0.00000 -0.00000 0.00002 0.00002 2.04207 A31 2.14674 -0.00000 0.00003 -0.00003 -0.00000 2.14674 A32 2.09436 -0.00000 -0.00003 0.00001 -0.00002 2.09434 A33 2.16695 0.00001 0.00004 -0.00002 0.00002 2.16698 A34 1.98402 -0.00000 -0.00002 0.00002 -0.00000 1.98401 A35 2.13140 -0.00000 -0.00002 0.00000 -0.00001 2.13138 A36 2.04672 -0.00000 -0.00001 -0.00002 -0.00002 2.04670 A37 2.15080 -0.00000 -0.00000 0.00003 0.00003 2.15083 A38 2.08531 0.00000 0.00001 -0.00001 -0.00000 2.08531 A39 2.09871 -0.00000 -0.00001 0.00001 0.00000 2.09871 A40 2.07578 0.00000 -0.00000 -0.00000 -0.00000 2.07578 A41 2.10870 0.00000 0.00001 -0.00001 -0.00000 2.10870 A42 2.09474 -0.00000 -0.00000 0.00000 0.00000 2.09474 A43 2.09224 -0.00000 0.00002 -0.00002 0.00000 2.09224 A44 2.09619 0.00000 -0.00002 0.00001 -0.00000 2.09619 A45 2.09523 0.00000 -0.00000 -0.00000 -0.00000 2.09522 A46 2.09442 0.00000 -0.00001 0.00001 -0.00000 2.09442 A47 2.09351 -0.00000 0.00002 -0.00001 0.00001 2.09352 A48 2.09414 0.00000 0.00001 -0.00001 0.00000 2.09414 A49 2.09821 0.00000 0.00001 -0.00000 0.00001 2.09822 A50 2.09082 -0.00000 -0.00002 0.00001 -0.00001 2.09081 A51 2.09806 -0.00000 -0.00001 0.00001 0.00000 2.09807 A52 2.10688 0.00000 0.00003 -0.00000 0.00003 2.10690 A53 2.07770 -0.00000 -0.00002 -0.00001 -0.00003 2.07767 D1 -3.10414 0.00000 0.00002 -0.00002 0.00001 -3.10414 D2 1.09773 0.00000 0.00004 -0.00002 0.00001 1.09774 D3 -0.98900 0.00000 0.00001 -0.00000 0.00001 -0.98898 D4 -1.03772 -0.00000 -0.00004 0.00004 -0.00000 -1.03772 D5 -3.11903 -0.00000 -0.00003 0.00003 0.00000 -3.11903 D6 1.07743 -0.00000 -0.00005 0.00006 0.00000 1.07743 D7 1.01355 0.00000 -0.00000 0.00004 0.00004 1.01359 D8 -1.06777 0.00000 0.00001 0.00003 0.00005 -1.06772 D9 3.12870 0.00000 -0.00001 0.00006 0.00005 3.12874 D10 -1.06194 0.00001 0.00004 0.00038 0.00042 -1.06152 D11 3.09808 0.00000 0.00005 0.00034 0.00040 3.09848 D12 1.09952 0.00001 0.00007 0.00032 0.00039 1.09991 D13 1.42846 -0.00000 0.00008 -0.00008 -0.00000 1.42846 D14 -1.69232 0.00000 0.00002 -0.00004 -0.00002 -1.69234 D15 -2.72658 -0.00000 0.00007 -0.00008 -0.00001 -2.72659 D16 0.43582 0.00000 0.00001 -0.00003 -0.00003 0.43580 D17 -0.66979 -0.00000 0.00004 -0.00007 -0.00003 -0.66982 D18 2.49261 -0.00000 -0.00002 -0.00002 -0.00004 2.49257 D19 3.02196 0.00000 0.00045 0.00009 0.00055 3.02251 D20 -0.08512 0.00000 0.00034 0.00012 0.00047 -0.08465 D21 -0.26742 0.00000 0.00060 -0.00003 0.00057 -0.26686 D22 2.90868 -0.00000 0.00049 -0.00000 0.00049 2.90917 D23 -0.21450 0.00000 0.00026 0.00012 0.00038 -0.21413 D24 2.96976 0.00000 0.00025 0.00009 0.00035 2.97010 D25 2.77939 0.00000 0.00041 -0.00001 0.00039 2.77978 D26 -0.31954 0.00000 0.00040 -0.00004 0.00037 -0.31917 D27 -3.12970 -0.00000 0.00003 -0.00003 0.00000 -3.12970 D28 -0.02407 0.00000 0.00015 -0.00007 0.00008 -0.02398 D29 3.10713 0.00000 0.00005 0.00001 0.00007 3.10720 D30 -0.02466 0.00000 0.00008 0.00001 0.00009 -0.02457 D31 0.00044 -0.00000 -0.00006 0.00004 -0.00001 0.00043 D32 -3.13136 0.00000 -0.00004 0.00005 0.00001 -3.13135 D33 -3.10523 0.00000 -0.00018 0.00012 -0.00006 -3.10530 D34 0.03830 0.00000 -0.00016 0.00008 -0.00008 0.03822 D35 3.13184 -0.00000 0.00002 -0.00003 -0.00001 3.13183 D36 -0.03048 -0.00000 0.00008 -0.00007 0.00001 -0.03047 D37 -0.00791 -0.00000 0.00004 -0.00006 -0.00003 -0.00794 D38 3.11295 -0.00000 0.00010 -0.00011 -0.00001 3.11294 D39 3.12831 0.00000 0.00007 0.00001 0.00008 3.12839 D40 -0.02295 -0.00000 0.00002 -0.00003 -0.00001 -0.02296 D41 0.00830 0.00000 0.00000 0.00006 0.00006 0.00836 D42 3.14022 -0.00000 -0.00005 0.00002 -0.00003 3.14019 D43 0.00705 -0.00000 -0.00002 -0.00004 -0.00006 0.00699 D44 3.13915 -0.00000 -0.00004 -0.00004 -0.00008 3.13907 D45 -3.12429 0.00000 0.00004 0.00000 0.00004 -3.12426 D46 0.00781 0.00000 0.00002 -0.00000 0.00001 0.00783 D47 2.68520 -0.00000 0.00018 -0.00008 0.00010 2.68530 D48 -0.48499 0.00000 0.00018 -0.00005 0.00014 -0.48486 D49 -0.41470 0.00000 0.00017 -0.00010 0.00007 -0.41464 D50 2.69828 0.00000 0.00017 -0.00007 0.00011 2.69839 D51 3.13431 -0.00000 -0.00003 0.00001 -0.00002 3.13428 D52 -0.00570 0.00000 0.00001 0.00003 0.00004 -0.00566 D53 0.02020 -0.00000 -0.00004 -0.00002 -0.00006 0.02014 D54 -3.11980 0.00000 0.00000 -0.00000 -0.00000 -3.11981 D55 -3.12266 0.00000 0.00004 -0.00005 -0.00001 -3.12267 D56 -0.01706 0.00000 0.00014 -0.00011 0.00003 -0.01703 D57 -0.01028 0.00000 0.00005 -0.00001 0.00003 -0.01024 D58 3.09532 0.00000 0.00015 -0.00008 0.00007 3.09539 D59 -0.01412 0.00000 0.00001 0.00001 0.00002 -0.01411 D60 3.13174 0.00000 -0.00000 0.00007 0.00007 3.13181 D61 3.12585 -0.00000 -0.00003 -0.00002 -0.00004 3.12581 D62 -0.01147 -0.00000 -0.00004 0.00005 0.00001 -0.01146 D63 -0.00200 0.00000 0.00001 0.00005 0.00005 -0.00194 D64 -3.13627 0.00000 -0.00000 0.00004 0.00004 -3.13623 D65 3.13531 0.00000 0.00002 -0.00001 0.00000 3.13532 D66 0.00104 -0.00000 0.00001 -0.00002 -0.00001 0.00103 D67 0.01189 -0.00000 0.00000 -0.00009 -0.00008 0.01181 D68 -3.12321 -0.00000 -0.00006 0.00003 -0.00003 -3.12324 D69 -3.13702 -0.00000 0.00001 -0.00008 -0.00007 -3.13708 D70 0.01107 -0.00000 -0.00006 0.00004 -0.00001 0.01105 D71 -0.00570 0.00000 -0.00003 0.00007 0.00004 -0.00566 D72 -3.11190 0.00000 -0.00013 0.00013 0.00000 -3.11190 D73 3.12943 -0.00000 0.00004 -0.00005 -0.00001 3.12941 D74 0.02323 -0.00000 -0.00006 0.00001 -0.00005 0.02318 Item Value Threshold Converged? Maximum Force 0.000012 0.000450 YES RMS Force 0.000003 0.000300 YES Maximum Displacement 0.002790 0.001800 NO RMS Displacement 0.000583 0.001200 YES Predicted change in Energy=-1.059981D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.504171 -6.551532 1.289144 2 6 0 7.795384 -6.808974 2.048471 3 8 0 5.485491 -7.423551 1.682189 4 7 0 4.697194 -1.390504 2.099975 5 6 0 5.174557 -2.660180 1.903521 6 7 0 6.074799 -2.890922 1.020540 7 6 0 6.556914 -4.147233 0.795793 8 8 0 7.421295 -4.399243 0.007193 9 7 0 5.994490 -5.198612 1.539832 10 6 0 5.042502 -4.965801 2.463242 11 6 0 4.595549 -3.722215 2.693631 12 1 0 6.673324 -6.612432 0.226072 13 1 0 8.552877 -6.096822 1.751326 14 1 0 8.162609 -7.807479 1.827816 15 1 0 3.929186 -1.312713 2.725674 16 6 0 5.244621 -0.181045 1.665736 17 1 0 4.664181 -5.818225 2.986053 18 35 0 3.253465 -3.424849 3.995022 19 1 0 7.623746 -6.734039 3.117010 20 1 0 5.749690 -8.315868 1.504804 21 8 0 6.338597 -0.066116 1.224190 22 6 0 4.334657 0.997192 1.860876 23 6 0 4.930428 2.246561 1.998804 24 6 0 4.150588 3.374412 2.172757 25 6 0 2.767751 3.265621 2.193590 26 6 0 2.167339 2.027885 2.037907 27 6 0 2.948225 0.895021 1.875200 28 1 0 6.000700 2.317822 1.966227 29 1 0 4.617526 4.335709 2.287759 30 1 0 2.161244 4.143877 2.323983 31 1 0 1.095849 1.942686 2.036711 32 1 0 2.466052 -0.054432 1.727953 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519897 0.000000 3 O 1.397358 2.418155 0.000000 4 N 5.528003 6.241894 6.098656 0.000000 5 C 4.157879 4.909403 4.778637 1.370600 0.000000 6 N 3.695480 4.400930 4.618419 2.305261 1.281926 7 C 2.454960 3.191845 3.559200 3.571974 2.312856 8 O 2.667745 3.180182 3.962245 4.566505 3.415880 9 N 1.467314 2.468845 2.286854 4.061825 2.692248 10 C 2.455508 3.338814 2.616642 3.610256 2.376261 11 C 3.690590 4.492577 3.938895 2.408243 1.444799 12 H 1.078166 2.149136 2.046739 5.889408 4.547574 13 H 2.148854 1.081319 3.342730 6.094035 4.821485 14 H 2.148950 1.086534 2.708425 7.297995 5.952216 15 H 6.011604 6.753885 6.391657 0.993674 2.010609 16 C 6.504720 7.112124 7.246529 1.396793 2.491497 17 H 2.608218 3.415417 2.225237 4.515632 3.377219 18 Br 5.259754 5.989189 5.130376 3.132749 2.941036 19 H 2.151244 1.084827 2.665759 6.176765 4.905855 20 H 1.930967 2.598301 0.947363 7.030124 5.698821 21 O 6.487854 6.947503 7.420876 2.283683 2.923294 22 C 7.875081 8.540963 8.500898 2.426870 3.752815 23 C 8.965864 9.498060 9.691202 3.645940 4.913734 24 C 10.239360 10.816715 10.891218 4.796718 6.126769 25 C 10.543024 11.260356 11.041107 5.040935 6.402497 26 C 9.642362 10.476883 10.023288 4.253164 5.571299 27 C 8.272808 9.103653 8.699058 2.886701 4.194855 28 H 8.909397 9.301938 9.759122 3.933027 5.046478 29 H 11.094533 11.591376 11.806789 5.729845 7.028540 30 H 11.589810 12.320081 12.052714 6.091848 7.453324 31 H 10.097551 11.021590 10.349929 4.907530 6.151420 32 H 7.662327 8.609782 7.963857 2.627068 3.762545 6 7 8 9 10 6 N 0.000000 7 C 1.364281 0.000000 8 O 2.261627 1.196893 0.000000 9 N 2.366759 1.405458 2.241372 0.000000 10 C 2.729863 2.396639 3.465807 1.346539 0.000000 11 C 2.382953 2.762133 3.957291 2.338383 1.341399 12 H 3.852148 2.532851 2.346396 2.045890 3.221164 13 H 4.117367 2.949205 2.684073 2.719716 3.756163 14 H 5.402146 4.128041 3.934499 3.404388 4.267782 15 H 3.162575 4.320173 5.395519 4.557621 3.827975 16 C 2.906700 4.267266 5.028108 5.074853 4.854972 17 H 3.797656 3.342438 4.299860 2.060387 1.069152 18 Br 4.134314 4.655070 5.850045 4.085023 2.814523 19 H 4.643703 3.635622 3.893998 2.738521 3.196388 20 H 5.456212 4.304860 4.514095 3.127050 3.555512 21 O 2.844396 4.109344 4.629180 5.153693 5.217473 22 C 4.341853 5.704204 6.487294 6.422313 6.034996 23 C 5.353533 6.706213 7.371407 7.534818 7.228169 24 C 6.654668 8.016332 8.707290 8.791889 8.392797 25 C 7.086299 8.441682 9.229623 9.081987 8.544210 26 C 6.363799 7.677454 8.546100 8.192522 7.573580 27 C 4.983901 6.293813 7.178234 6.820892 6.251482 28 H 5.294415 6.593651 7.139669 7.528521 7.363174 29 H 7.480219 8.828788 9.453120 9.662230 9.312867 30 H 8.154955 9.507881 10.296629 10.128711 9.555485 31 H 7.013296 8.273465 9.184241 8.674198 7.967760 32 H 4.644261 5.861322 6.811228 6.240821 5.594666 11 12 13 14 15 11 C 0.000000 12 H 4.331206 0.000000 13 H 4.710322 2.474868 0.000000 14 H 5.492079 2.492326 1.756277 0.000000 15 H 2.500153 6.470341 6.724252 7.804486 0.000000 16 C 3.744029 6.743631 6.778517 8.167216 2.033350 17 H 2.117422 3.504984 4.089513 4.187796 4.572489 18 Br 1.892944 6.005090 6.344870 6.928486 2.555183 19 H 4.291889 3.045589 1.770430 1.762006 6.572191 20 H 4.883339 2.321626 3.583685 2.486960 7.338183 21 O 4.308658 6.630425 6.445954 7.976220 3.100600 22 C 4.799412 8.127012 8.254115 9.600861 2.499589 23 C 6.018407 9.201196 9.099199 10.562194 3.768190 24 C 7.129616 10.482882 10.452847 11.884863 4.724816 25 C 7.240217 10.802803 11.014473 12.322817 4.753230 26 C 6.276132 9.911696 10.337702 11.520494 3.838844 27 C 4.970148 8.541535 8.961770 10.145223 2.561187 28 H 6.243846 9.123047 8.795796 10.354454 4.248378 29 H 8.068169 11.328664 11.162994 12.658443 5.707035 30 H 8.242445 11.851510 12.085232 13.382731 5.749901 31 H 6.691080 10.371918 10.969156 12.043606 4.370365 32 H 4.349704 7.934994 8.576739 9.621354 2.172436 16 17 18 19 20 16 C 0.000000 17 H 5.818758 0.000000 18 Br 4.462347 2.955738 0.000000 19 H 7.120966 3.100789 5.551667 0.000000 20 H 8.152076 3.100105 6.029461 2.934872 0.000000 21 O 1.185308 6.244565 5.336351 7.049509 8.275504 22 C 1.501452 6.915528 5.027724 8.495171 9.426675 23 C 2.470409 8.129349 6.241954 9.442221 10.605665 24 C 3.754365 9.242825 7.096157 10.730109 11.818035 25 C 4.277035 9.313469 6.945752 11.154667 11.979035 26 C 3.806251 8.288223 5.894258 10.378254 10.959501 27 C 2.544647 7.017561 4.821628 9.033557 9.634619 28 H 2.627981 8.307923 6.681435 9.267943 10.646656 29 H 4.602307 10.178023 8.062361 11.500623 12.726241 30 H 5.352146 10.293032 7.827576 12.198233 12.992046 31 H 4.675486 8.594532 6.107432 10.911739 11.277371 32 H 2.782148 6.295704 4.137551 8.552686 8.892885 21 22 23 24 25 21 O 0.000000 22 C 2.356219 0.000000 23 C 2.816281 1.391003 0.000000 24 C 4.186215 2.404647 1.382193 0.000000 25 C 4.979071 2.776988 2.398666 1.387266 0.000000 26 C 4.737760 2.406436 2.772004 2.400958 1.384458 27 C 3.583604 1.390266 2.402305 2.771570 2.398685 28 H 2.519514 2.128581 1.073136 2.140549 3.376681 29 H 4.844515 3.377564 2.132121 1.074871 2.139070 30 H 6.031904 3.852249 3.372526 2.138326 1.075262 31 H 5.672908 3.378573 3.846788 3.376357 2.137762 32 H 3.905191 2.148318 3.382467 3.846100 3.366095 26 27 28 29 30 26 C 0.000000 27 C 1.385510 0.000000 28 H 3.844978 3.369013 0.000000 29 H 3.375187 3.846440 2.467472 0.000000 30 H 2.135252 3.372805 4.266602 2.464028 0.000000 31 H 1.074873 2.134241 4.919681 4.265184 2.462283 32 H 2.126346 1.075004 4.263578 4.920931 4.251349 31 32 31 H 0.000000 32 H 2.441571 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.489723 -0.727200 -0.351850 2 6 0 -5.095876 -1.150002 0.976270 3 8 0 -5.000136 0.496977 -0.791714 4 7 0 1.001659 -0.214981 0.023878 5 6 0 -0.359050 -0.363497 -0.046536 6 7 0 -0.881727 -1.518330 -0.237597 7 6 0 -2.232156 -1.691312 -0.325254 8 8 0 -2.760893 -2.755681 -0.467062 9 7 0 -3.037994 -0.542621 -0.244963 10 6 0 -2.496317 0.675093 -0.052807 11 6 0 -1.168387 0.828740 0.058303 12 1 0 -4.637187 -1.494374 -1.094912 13 1 0 -4.655786 -2.079746 1.309660 14 1 0 -6.165910 -1.301626 0.864053 15 1 0 1.329471 0.722035 0.067772 16 6 0 1.973895 -1.201750 0.202978 17 1 0 -3.175943 1.499015 -0.004363 18 35 0 -0.434155 2.553140 0.323977 19 1 0 -4.934091 -0.381222 1.724369 20 1 0 -5.936416 0.421218 -0.914742 21 8 0 1.738388 -2.316612 0.529433 22 6 0 3.377524 -0.709285 -0.001132 23 6 0 4.394003 -1.388470 0.662468 24 6 0 5.709710 -0.992725 0.511602 25 6 0 6.022687 0.074897 -0.317092 26 6 0 5.018046 0.743552 -0.995560 27 6 0 3.697655 0.355276 -0.836036 28 1 0 4.138840 -2.221612 1.288876 29 1 0 6.489570 -1.516157 1.034273 30 1 0 7.046816 0.379375 -0.438096 31 1 0 5.259067 1.560311 -1.651431 32 1 0 2.932495 0.867029 -1.391258 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5010496 0.1427236 0.1155153 Standard basis: 6-31G(d) (6D, 7F) There are 339 symmetry adapted cartesian basis functions of A symmetry. There are 339 symmetry adapted basis functions of A symmetry. 339 basis functions, 663 primitive gaussians, 339 cartesian basis functions 85 alpha electrons 85 beta electrons nuclear repulsion energy 1892.8651360574 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= 339 RedAO= T EigKep= 4.33D-04 NBF= 339 NBsUse= 339 1.00D-06 EigRej= -1.00D+00 NBFU= 339 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 1.000000 -0.000045 -0.000001 0.000015 Ang= -0.01 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -3457.12292531 A.U. after 7 cycles NFock= 7 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 0.000003382 0.000005973 0.000002480 2 6 -0.000001281 -0.000001164 -0.000002297 3 8 -0.000005707 -0.000002181 -0.000010646 4 7 -0.000002215 0.000006180 -0.000004403 5 6 0.000003517 -0.000001761 -0.000001352 6 7 -0.000005507 0.000000807 0.000001321 7 6 0.000005026 -0.000000245 -0.000001750 8 8 -0.000001154 -0.000001905 0.000004761 9 7 -0.000002976 -0.000003083 -0.000001118 10 6 0.000000715 0.000000702 0.000000881 11 6 0.000000549 -0.000002617 0.000001293 12 1 -0.000003055 0.000001500 0.000000029 13 1 0.000000917 -0.000000003 -0.000000012 14 1 0.000001455 -0.000000578 -0.000000464 15 1 0.000000841 0.000000799 0.000000820 16 6 0.000001103 -0.000006943 0.000002448 17 1 0.000000220 0.000000742 -0.000000202 18 35 0.000000937 0.000000930 -0.000001111 19 1 0.000000589 0.000000295 0.000000703 20 1 0.000003417 -0.000000915 0.000008347 21 8 -0.000001037 0.000003961 -0.000000431 22 6 -0.000003591 -0.000001956 0.000001755 23 6 0.000000766 0.000003638 -0.000000396 24 6 0.000002082 -0.000001390 -0.000001388 25 6 -0.000002114 -0.000001805 0.000000901 26 6 -0.000000494 0.000005082 -0.000001681 27 6 0.000003641 -0.000002094 0.000001704 28 1 -0.000000256 -0.000000220 -0.000000119 29 1 0.000000255 -0.000000386 0.000000564 30 1 -0.000000256 -0.000000519 0.000000076 31 1 0.000000121 -0.000000289 0.000000556 32 1 0.000000110 -0.000000557 -0.000001271 ------------------------------------------------------------------- Cartesian Forces: Max 0.000010646 RMS 0.000002682 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000006405 RMS 0.000001615 Search for a local minimum. Step number 36 out of a maximum of 170 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 15 23 22 26 27 28 29 30 31 32 33 34 35 36 DE= -1.32D-08 DEPred=-1.06D-08 R= 1.24D+00 Trust test= 1.24D+00 RLast= 1.51D-03 DXMaxT set to 2.48D-01 ITU= 0 0 0 1 1 1 1 1 0 1 0 0 -1 -1 0 0 0 0 0 0 ITU= -1 0 1 1 1 1 1 1 1 1 -1 1 1 0 1 0 Eigenvalues --- 0.00285 0.00305 0.00391 0.00480 0.00734 Eigenvalues --- 0.01086 0.01568 0.01686 0.01712 0.01818 Eigenvalues --- 0.01908 0.01955 0.02017 0.02117 0.02137 Eigenvalues --- 0.02153 0.02266 0.02478 0.02495 0.02600 Eigenvalues --- 0.02715 0.02882 0.04671 0.05507 0.05625 Eigenvalues --- 0.05662 0.06110 0.06938 0.07352 0.08825 Eigenvalues --- 0.14023 0.15669 0.15777 0.15928 0.15989 Eigenvalues --- 0.15999 0.16010 0.16070 0.16160 0.16278 Eigenvalues --- 0.16573 0.19319 0.20166 0.21941 0.21985 Eigenvalues --- 0.22056 0.23391 0.23505 0.23846 0.24565 Eigenvalues --- 0.24747 0.25223 0.25654 0.26433 0.27994 Eigenvalues --- 0.28374 0.29803 0.31480 0.33703 0.33779 Eigenvalues --- 0.33867 0.34106 0.34431 0.35125 0.35450 Eigenvalues --- 0.36084 0.38370 0.38397 0.38439 0.38512 Eigenvalues --- 0.38682 0.39056 0.40448 0.41847 0.42872 Eigenvalues --- 0.44051 0.44644 0.47469 0.48512 0.50701 Eigenvalues --- 0.51384 0.54812 0.55132 0.56068 0.56241 Eigenvalues --- 0.58256 0.61980 0.73341 0.88522 0.93995 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 36 35 34 33 32 31 30 29 28 27 RFO step: Lambda=-1.43345702D-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: 1.73380 -0.59081 -0.02735 -0.17353 0.05789 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00025342 RMS(Int)= 0.00000009 Iteration 2 RMS(Cart)= 0.00000004 RMS(Int)= 0.00000008 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.87219 0.00000 0.00003 -0.00002 0.00001 2.87220 R2 2.64062 0.00000 0.00001 0.00000 0.00001 2.64064 R3 2.77282 -0.00000 -0.00005 0.00002 -0.00002 2.77280 R4 2.03744 -0.00000 0.00001 -0.00001 -0.00000 2.03744 R5 2.04340 0.00000 0.00002 -0.00002 -0.00000 2.04339 R6 2.05325 0.00000 0.00001 -0.00001 0.00000 2.05326 R7 2.05003 0.00000 0.00001 -0.00000 0.00000 2.05003 R8 1.79026 0.00000 0.00002 -0.00001 0.00000 1.79026 R9 2.59006 0.00000 0.00001 -0.00001 0.00001 2.59007 R10 1.87777 -0.00000 0.00000 -0.00000 -0.00000 1.87777 R11 2.63956 -0.00000 0.00003 -0.00003 -0.00000 2.63956 R12 2.42249 -0.00000 0.00000 -0.00001 -0.00000 2.42249 R13 2.73027 0.00000 0.00001 -0.00001 0.00000 2.73028 R14 2.57812 0.00000 -0.00002 0.00001 -0.00000 2.57812 R15 2.26180 -0.00000 0.00002 -0.00002 0.00000 2.26180 R16 2.65593 -0.00000 0.00003 -0.00002 0.00002 2.65595 R17 2.54459 -0.00000 0.00000 -0.00000 0.00000 2.54459 R18 2.53488 -0.00000 -0.00000 -0.00000 -0.00000 2.53487 R19 2.02040 -0.00000 0.00001 -0.00001 -0.00000 2.02040 R20 3.57715 -0.00000 0.00015 -0.00012 0.00003 3.57718 R21 2.23991 -0.00000 0.00001 -0.00001 0.00000 2.23991 R22 2.83733 -0.00000 -0.00002 0.00002 0.00000 2.83733 R23 2.62861 0.00000 0.00002 -0.00001 0.00002 2.62863 R24 2.62722 -0.00000 -0.00002 0.00001 -0.00001 2.62721 R25 2.61197 -0.00000 -0.00000 -0.00000 -0.00001 2.61196 R26 2.02793 -0.00000 -0.00001 0.00001 -0.00000 2.02793 R27 2.62155 0.00000 0.00001 -0.00000 0.00001 2.62157 R28 2.03121 -0.00000 -0.00001 0.00001 0.00000 2.03121 R29 2.61625 -0.00000 -0.00001 -0.00000 -0.00001 2.61624 R30 2.03195 -0.00000 -0.00001 0.00001 0.00000 2.03195 R31 2.61823 0.00000 0.00001 0.00000 0.00001 2.61825 R32 2.03122 -0.00000 -0.00001 0.00001 0.00000 2.03122 R33 2.03146 0.00000 -0.00001 0.00001 0.00000 2.03146 A1 1.95314 0.00000 0.00001 -0.00002 -0.00001 1.95313 A2 1.94541 -0.00000 0.00002 0.00001 0.00003 1.94545 A3 1.92810 0.00000 0.00002 -0.00002 -0.00000 1.92809 A4 1.84847 0.00000 -0.00010 0.00009 -0.00001 1.84846 A5 1.93528 -0.00000 0.00004 -0.00006 -0.00002 1.93526 A6 1.84942 -0.00000 0.00001 -0.00000 0.00001 1.84943 A7 1.92440 0.00000 0.00001 -0.00001 0.00001 1.92441 A8 1.91912 0.00000 -0.00002 0.00001 -0.00000 1.91912 A9 1.92408 0.00000 0.00003 -0.00002 0.00001 1.92409 A10 1.88880 -0.00000 -0.00002 0.00001 -0.00001 1.88879 A11 1.91348 -0.00000 -0.00001 0.00001 -0.00000 1.91348 A12 1.89335 -0.00000 0.00001 -0.00000 0.00001 1.89335 A13 1.90903 0.00000 -0.00006 0.00006 -0.00001 1.90902 A14 2.01747 -0.00000 -0.00002 -0.00002 -0.00003 2.01744 A15 2.24089 0.00000 0.00004 -0.00000 0.00004 2.24093 A16 2.01627 -0.00000 -0.00004 0.00002 -0.00002 2.01624 A17 2.10605 0.00000 0.00003 -0.00001 0.00002 2.10607 A18 2.05216 -0.00000 -0.00002 0.00001 -0.00001 2.05215 A19 2.12445 -0.00000 -0.00001 -0.00000 -0.00001 2.12444 A20 2.12632 -0.00000 0.00001 -0.00000 0.00001 2.12633 A21 2.16234 0.00000 -0.00003 0.00002 -0.00001 2.16233 A22 2.04906 0.00000 0.00000 -0.00000 0.00000 2.04906 A23 2.07178 -0.00000 0.00003 -0.00002 0.00001 2.07179 A24 2.04913 -0.00000 0.00008 -0.00007 0.00001 2.04914 A25 2.12017 0.00000 -0.00006 0.00006 -0.00000 2.12017 A26 2.11369 0.00000 -0.00002 0.00001 -0.00001 2.11368 A27 2.11022 -0.00000 0.00001 -0.00001 -0.00000 2.11022 A28 2.03494 0.00000 -0.00001 0.00001 -0.00000 2.03494 A29 2.13798 0.00000 -0.00001 0.00001 0.00000 2.13799 A30 2.04207 0.00000 0.00000 0.00001 0.00001 2.04208 A31 2.14674 -0.00000 0.00003 -0.00003 0.00000 2.14674 A32 2.09434 0.00000 -0.00003 0.00002 -0.00001 2.09433 A33 2.16698 0.00001 0.00003 -0.00001 0.00002 2.16699 A34 1.98401 -0.00000 -0.00001 0.00001 -0.00000 1.98401 A35 2.13138 -0.00000 -0.00002 0.00001 -0.00001 2.13137 A36 2.04670 -0.00000 -0.00002 0.00000 -0.00002 2.04668 A37 2.15083 -0.00000 0.00002 0.00000 0.00002 2.15085 A38 2.08531 0.00000 0.00000 -0.00001 -0.00000 2.08530 A39 2.09871 -0.00000 -0.00000 0.00000 0.00000 2.09871 A40 2.07578 -0.00000 0.00000 -0.00000 -0.00000 2.07578 A41 2.10870 0.00000 -0.00000 0.00000 0.00000 2.10870 A42 2.09474 0.00000 -0.00000 0.00000 0.00000 2.09474 A43 2.09224 -0.00000 0.00001 -0.00001 0.00000 2.09224 A44 2.09619 0.00000 -0.00000 0.00000 -0.00000 2.09619 A45 2.09522 0.00000 -0.00000 0.00000 -0.00000 2.09522 A46 2.09442 0.00000 -0.00001 0.00001 -0.00000 2.09442 A47 2.09352 -0.00000 0.00001 -0.00001 0.00000 2.09352 A48 2.09414 0.00000 0.00001 -0.00001 0.00000 2.09414 A49 2.09822 0.00000 0.00001 -0.00000 0.00000 2.09822 A50 2.09081 -0.00000 -0.00001 0.00001 -0.00000 2.09081 A51 2.09807 -0.00000 -0.00000 0.00001 0.00000 2.09807 A52 2.10690 -0.00000 0.00003 -0.00002 0.00001 2.10691 A53 2.07767 0.00000 -0.00002 0.00001 -0.00001 2.07766 D1 -3.10414 -0.00000 0.00009 -0.00009 -0.00000 -3.10414 D2 1.09774 -0.00000 0.00012 -0.00011 0.00001 1.09775 D3 -0.98898 -0.00000 0.00010 -0.00010 0.00000 -0.98898 D4 -1.03772 0.00000 -0.00002 0.00002 -0.00000 -1.03772 D5 -3.11903 0.00000 0.00001 0.00001 0.00001 -3.11902 D6 1.07743 0.00000 -0.00001 0.00001 0.00000 1.07743 D7 1.01359 -0.00000 0.00002 0.00001 0.00003 1.01362 D8 -1.06772 0.00000 0.00005 -0.00000 0.00005 -1.06767 D9 3.12874 -0.00000 0.00003 0.00000 0.00004 3.12878 D10 -1.06152 0.00001 0.00040 0.00024 0.00065 -1.06088 D11 3.09848 0.00000 0.00044 0.00018 0.00062 3.09910 D12 1.09991 0.00001 0.00046 0.00016 0.00062 1.10053 D13 1.42846 -0.00000 0.00008 -0.00011 -0.00003 1.42843 D14 -1.69234 -0.00000 0.00013 -0.00012 0.00001 -1.69233 D15 -2.72659 -0.00000 0.00004 -0.00007 -0.00003 -2.72662 D16 0.43580 0.00000 0.00009 -0.00008 0.00002 0.43581 D17 -0.66982 -0.00000 0.00004 -0.00009 -0.00005 -0.66987 D18 2.49257 -0.00000 0.00009 -0.00010 -0.00001 2.49256 D19 3.02251 0.00000 0.00030 -0.00008 0.00023 3.02274 D20 -0.08465 0.00000 0.00024 -0.00003 0.00021 -0.08444 D21 -0.26686 -0.00000 0.00014 -0.00007 0.00007 -0.26679 D22 2.90917 -0.00000 0.00008 -0.00003 0.00005 2.90922 D23 -0.21413 0.00000 0.00021 0.00003 0.00024 -0.21389 D24 2.97010 0.00000 0.00031 -0.00007 0.00024 2.97034 D25 2.77978 -0.00000 0.00005 0.00003 0.00008 2.77986 D26 -0.31917 -0.00000 0.00015 -0.00007 0.00008 -0.31910 D27 -3.12970 -0.00000 0.00004 -0.00004 0.00001 -3.12969 D28 -0.02398 -0.00000 0.00011 -0.00008 0.00003 -0.02396 D29 3.10720 0.00000 0.00001 -0.00003 -0.00002 3.10719 D30 -0.02457 0.00000 0.00002 -0.00003 -0.00001 -0.02458 D31 0.00043 -0.00000 -0.00005 0.00002 -0.00003 0.00039 D32 -3.13135 -0.00000 -0.00004 0.00002 -0.00003 -3.13137 D33 -3.10530 0.00000 -0.00008 0.00010 0.00002 -3.10528 D34 0.03822 0.00000 -0.00004 0.00007 0.00002 0.03825 D35 3.13183 -0.00000 -0.00002 0.00001 -0.00002 3.13182 D36 -0.03047 -0.00000 -0.00008 0.00001 -0.00006 -0.03053 D37 -0.00794 -0.00000 0.00002 -0.00003 -0.00001 -0.00795 D38 3.11294 -0.00000 -0.00004 -0.00002 -0.00006 3.11289 D39 3.12839 -0.00000 0.00008 -0.00007 0.00001 3.12840 D40 -0.02296 -0.00000 -0.00003 0.00003 -0.00001 -0.02297 D41 0.00836 0.00000 0.00013 -0.00008 0.00005 0.00841 D42 3.14019 0.00000 0.00002 0.00002 0.00004 3.14023 D43 0.00699 0.00000 -0.00007 0.00006 -0.00001 0.00698 D44 3.13907 0.00000 -0.00008 0.00006 -0.00001 3.13906 D45 -3.12426 0.00000 0.00005 -0.00004 0.00001 -3.12425 D46 0.00783 -0.00000 0.00004 -0.00004 0.00000 0.00783 D47 2.68530 -0.00000 0.00014 -0.00003 0.00010 2.68540 D48 -0.48486 -0.00000 0.00014 -0.00003 0.00011 -0.48475 D49 -0.41464 0.00000 0.00023 -0.00013 0.00010 -0.41454 D50 2.69839 -0.00000 0.00023 -0.00012 0.00011 2.69850 D51 3.13428 0.00000 -0.00004 0.00004 -0.00000 3.13428 D52 -0.00566 -0.00000 -0.00001 0.00001 0.00000 -0.00566 D53 0.02014 0.00000 -0.00004 0.00003 -0.00001 0.02013 D54 -3.11981 0.00000 -0.00001 0.00000 -0.00001 -3.11981 D55 -3.12267 0.00000 0.00006 -0.00005 0.00001 -3.12266 D56 -0.01703 -0.00000 0.00011 -0.00008 0.00002 -0.01701 D57 -0.01024 -0.00000 0.00006 -0.00005 0.00002 -0.01023 D58 3.09539 -0.00000 0.00011 -0.00008 0.00003 3.09543 D59 -0.01411 -0.00000 -0.00000 0.00000 -0.00000 -0.01411 D60 3.13181 -0.00000 0.00001 -0.00001 -0.00001 3.13181 D61 3.12581 0.00000 -0.00004 0.00003 -0.00001 3.12580 D62 -0.01146 -0.00000 -0.00003 0.00002 -0.00001 -0.01147 D63 -0.00194 -0.00000 0.00003 -0.00002 0.00001 -0.00193 D64 -3.13623 -0.00000 0.00002 -0.00002 0.00000 -3.13622 D65 3.13532 0.00000 0.00002 -0.00001 0.00001 3.13533 D66 0.00103 0.00000 0.00001 -0.00001 0.00001 0.00104 D67 0.01181 0.00000 -0.00001 0.00001 0.00000 0.01181 D68 -3.12324 0.00000 -0.00002 0.00000 -0.00001 -3.12325 D69 -3.13708 0.00000 -0.00000 0.00001 0.00000 -3.13708 D70 0.01105 -0.00000 -0.00001 0.00000 -0.00001 0.01104 D71 -0.00566 -0.00000 -0.00004 0.00002 -0.00001 -0.00567 D72 -3.11190 0.00000 -0.00008 0.00006 -0.00003 -3.11193 D73 3.12941 0.00000 -0.00003 0.00003 0.00000 3.12942 D74 0.02318 0.00000 -0.00008 0.00006 -0.00001 0.02316 Item Value Threshold Converged? Maximum Force 0.000006 0.000450 YES RMS Force 0.000002 0.000300 YES Maximum Displacement 0.001098 0.001800 YES RMS Displacement 0.000253 0.001200 YES Predicted change in Energy=-6.723250D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5199 -DE/DX = 0.0 ! ! R2 R(1,3) 1.3974 -DE/DX = 0.0 ! ! R3 R(1,9) 1.4673 -DE/DX = 0.0 ! ! R4 R(1,12) 1.0782 -DE/DX = 0.0 ! ! R5 R(2,13) 1.0813 -DE/DX = 0.0 ! ! R6 R(2,14) 1.0865 -DE/DX = 0.0 ! ! R7 R(2,19) 1.0848 -DE/DX = 0.0 ! ! R8 R(3,20) 0.9474 -DE/DX = 0.0 ! ! R9 R(4,5) 1.3706 -DE/DX = 0.0 ! ! R10 R(4,15) 0.9937 -DE/DX = 0.0 ! ! R11 R(4,16) 1.3968 -DE/DX = 0.0 ! ! R12 R(5,6) 1.2819 -DE/DX = 0.0 ! ! R13 R(5,11) 1.4448 -DE/DX = 0.0 ! ! R14 R(6,7) 1.3643 -DE/DX = 0.0 ! ! R15 R(7,8) 1.1969 -DE/DX = 0.0 ! ! R16 R(7,9) 1.4055 -DE/DX = 0.0 ! ! R17 R(9,10) 1.3465 -DE/DX = 0.0 ! ! R18 R(10,11) 1.3414 -DE/DX = 0.0 ! ! R19 R(10,17) 1.0692 -DE/DX = 0.0 ! ! R20 R(11,18) 1.8929 -DE/DX = 0.0 ! ! R21 R(16,21) 1.1853 -DE/DX = 0.0 ! ! R22 R(16,22) 1.5015 -DE/DX = 0.0 ! ! R23 R(22,23) 1.391 -DE/DX = 0.0 ! ! R24 R(22,27) 1.3903 -DE/DX = 0.0 ! ! R25 R(23,24) 1.3822 -DE/DX = 0.0 ! ! R26 R(23,28) 1.0731 -DE/DX = 0.0 ! ! R27 R(24,25) 1.3873 -DE/DX = 0.0 ! ! R28 R(24,29) 1.0749 -DE/DX = 0.0 ! ! R29 R(25,26) 1.3845 -DE/DX = 0.0 ! ! R30 R(25,30) 1.0753 -DE/DX = 0.0 ! ! R31 R(26,27) 1.3855 -DE/DX = 0.0 ! ! R32 R(26,31) 1.0749 -DE/DX = 0.0 ! ! R33 R(27,32) 1.075 -DE/DX = 0.0 ! ! A1 A(2,1,3) 111.9064 -DE/DX = 0.0 ! ! A2 A(2,1,9) 111.4639 -DE/DX = 0.0 ! ! A3 A(2,1,12) 110.4717 -DE/DX = 0.0 ! ! A4 A(3,1,9) 105.9094 -DE/DX = 0.0 ! ! A5 A(3,1,12) 110.8832 -DE/DX = 0.0 ! ! A6 A(9,1,12) 105.9641 -DE/DX = 0.0 ! ! A7 A(1,2,13) 110.2602 -DE/DX = 0.0 ! ! A8 A(1,2,14) 109.9577 -DE/DX = 0.0 ! ! A9 A(1,2,19) 110.2416 -DE/DX = 0.0 ! ! A10 A(13,2,14) 108.2201 -DE/DX = 0.0 ! ! A11 A(13,2,19) 109.6343 -DE/DX = 0.0 ! ! A12 A(14,2,19) 108.4807 -DE/DX = 0.0 ! ! A13 A(1,3,20) 109.3792 -DE/DX = 0.0 ! ! A14 A(5,4,15) 115.5925 -DE/DX = 0.0 ! ! A15 A(5,4,16) 128.3938 -DE/DX = 0.0 ! ! A16 A(15,4,16) 115.5236 -DE/DX = 0.0 ! ! A17 A(4,5,6) 120.6677 -DE/DX = 0.0 ! ! A18 A(4,5,11) 117.5799 -DE/DX = 0.0 ! ! A19 A(6,5,11) 121.722 -DE/DX = 0.0 ! ! A20 A(5,6,7) 121.8291 -DE/DX = 0.0 ! ! A21 A(6,7,8) 123.8927 -DE/DX = 0.0 ! ! A22 A(6,7,9) 117.4027 -DE/DX = 0.0 ! ! A23 A(8,7,9) 118.7045 -DE/DX = 0.0 ! ! A24 A(1,9,7) 117.4064 -DE/DX = 0.0 ! ! A25 A(1,9,10) 121.477 -DE/DX = 0.0 ! ! A26 A(7,9,10) 121.1056 -DE/DX = 0.0 ! ! A27 A(9,10,11) 120.9065 -DE/DX = 0.0 ! ! A28 A(9,10,17) 116.5935 -DE/DX = 0.0 ! ! A29 A(11,10,17) 122.4975 -DE/DX = 0.0 ! ! A30 A(5,11,10) 117.0018 -DE/DX = 0.0 ! ! A31 A(5,11,18) 122.999 -DE/DX = 0.0 ! ! A32 A(10,11,18) 119.9969 -DE/DX = 0.0 ! ! A33 A(4,16,21) 124.1585 -DE/DX = 0.0 ! ! A34 A(4,16,22) 113.6756 -DE/DX = 0.0 ! ! A35 A(21,16,22) 122.1193 -DE/DX = 0.0 ! ! A36 A(16,22,23) 117.2672 -DE/DX = 0.0 ! ! A37 A(16,22,27) 123.2336 -DE/DX = 0.0 ! ! A38 A(23,22,27) 119.4792 -DE/DX = 0.0 ! ! A39 A(22,23,24) 120.2471 -DE/DX = 0.0 ! ! A40 A(22,23,28) 118.9334 -DE/DX = 0.0 ! ! A41 A(24,23,28) 120.8194 -DE/DX = 0.0 ! ! A42 A(23,24,25) 120.02 -DE/DX = 0.0 ! ! A43 A(23,24,29) 119.8767 -DE/DX = 0.0 ! ! A44 A(25,24,29) 120.1028 -DE/DX = 0.0 ! ! A45 A(24,25,26) 120.0475 -DE/DX = 0.0 ! ! A46 A(24,25,30) 120.0015 -DE/DX = 0.0 ! ! A47 A(26,25,30) 119.9497 -DE/DX = 0.0 ! ! A48 A(25,26,27) 119.9853 -DE/DX = 0.0 ! ! A49 A(25,26,31) 120.2189 -DE/DX = 0.0 ! ! A50 A(27,26,31) 119.7947 -DE/DX = 0.0 ! ! A51 A(22,27,26) 120.2103 -DE/DX = 0.0 ! ! A52 A(22,27,32) 120.7165 -DE/DX = 0.0 ! ! A53 A(26,27,32) 119.0417 -DE/DX = 0.0 ! ! D1 D(3,1,2,13) -177.8539 -DE/DX = 0.0 ! ! D2 D(3,1,2,14) 62.8959 -DE/DX = 0.0 ! ! D3 D(3,1,2,19) -56.6647 -DE/DX = 0.0 ! ! D4 D(9,1,2,13) -59.4571 -DE/DX = 0.0 ! ! D5 D(9,1,2,14) -178.7073 -DE/DX = 0.0 ! ! D6 D(9,1,2,19) 61.7322 -DE/DX = 0.0 ! ! D7 D(12,1,2,13) 58.0744 -DE/DX = 0.0 ! ! D8 D(12,1,2,14) -61.1758 -DE/DX = 0.0 ! ! D9 D(12,1,2,19) 179.2637 -DE/DX = 0.0 ! ! D10 D(2,1,3,20) -60.8208 -DE/DX = 0.0 ! ! D11 D(9,1,3,20) 177.5299 -DE/DX = 0.0 ! ! D12 D(12,1,3,20) 63.0203 -DE/DX = 0.0 ! ! D13 D(2,1,9,7) 81.8446 -DE/DX = 0.0 ! ! D14 D(2,1,9,10) -96.9641 -DE/DX = 0.0 ! ! D15 D(3,1,9,7) -156.2221 -DE/DX = 0.0 ! ! D16 D(3,1,9,10) 24.9693 -DE/DX = 0.0 ! ! D17 D(12,1,9,7) -38.3779 -DE/DX = 0.0 ! ! D18 D(12,1,9,10) 142.8135 -DE/DX = 0.0 ! ! D19 D(15,4,5,6) 173.177 -DE/DX = 0.0 ! ! D20 D(15,4,5,11) -4.8503 -DE/DX = 0.0 ! ! D21 D(16,4,5,6) -15.2897 -DE/DX = 0.0 ! ! D22 D(16,4,5,11) 166.683 -DE/DX = 0.0 ! ! D23 D(5,4,16,21) -12.2685 -DE/DX = 0.0 ! ! D24 D(5,4,16,22) 170.1745 -DE/DX = 0.0 ! ! D25 D(15,4,16,21) 159.2697 -DE/DX = 0.0 ! ! D26 D(15,4,16,22) -18.2873 -DE/DX = 0.0 ! ! D27 D(4,5,6,7) -179.3183 -DE/DX = 0.0 ! ! D28 D(11,5,6,7) -1.374 -DE/DX = 0.0 ! ! D29 D(4,5,11,10) 178.0296 -DE/DX = 0.0 ! ! D30 D(4,5,11,18) -1.4078 -DE/DX = 0.0 ! ! D31 D(6,5,11,10) 0.0244 -DE/DX = 0.0 ! ! D32 D(6,5,11,18) -179.4129 -DE/DX = 0.0 ! ! D33 D(5,6,7,8) -177.9203 -DE/DX = 0.0 ! ! D34 D(5,6,7,9) 2.19 -DE/DX = 0.0 ! ! D35 D(6,7,9,1) 179.4408 -DE/DX = 0.0 ! ! D36 D(6,7,9,10) -1.7458 -DE/DX = 0.0 ! ! D37 D(8,7,9,1) -0.4548 -DE/DX = 0.0 ! ! D38 D(8,7,9,10) 178.3586 -DE/DX = 0.0 ! ! D39 D(1,9,10,11) 179.2436 -DE/DX = 0.0 ! ! D40 D(1,9,10,17) -1.3156 -DE/DX = 0.0 ! ! D41 D(7,9,10,11) 0.4788 -DE/DX = 0.0 ! ! D42 D(7,9,10,17) 179.9197 -DE/DX = 0.0 ! ! D43 D(9,10,11,5) 0.4005 -DE/DX = 0.0 ! ! D44 D(9,10,11,18) 179.8557 -DE/DX = 0.0 ! ! D45 D(17,10,11,5) -179.0066 -DE/DX = 0.0 ! ! D46 D(17,10,11,18) 0.4485 -DE/DX = 0.0 ! ! D47 D(4,16,22,23) 153.8563 -DE/DX = 0.0 ! ! D48 D(4,16,22,27) -27.7804 -DE/DX = 0.0 ! ! D49 D(21,16,22,23) -23.7569 -DE/DX = 0.0 ! ! D50 D(21,16,22,27) 154.6064 -DE/DX = 0.0 ! ! D51 D(16,22,23,24) 179.5813 -DE/DX = 0.0 ! ! D52 D(16,22,23,28) -0.3243 -DE/DX = 0.0 ! ! D53 D(27,22,23,24) 1.1538 -DE/DX = 0.0 ! ! D54 D(27,22,23,28) -178.7518 -DE/DX = 0.0 ! ! D55 D(16,22,27,26) -178.9157 -DE/DX = 0.0 ! ! D56 D(16,22,27,32) -0.9758 -DE/DX = 0.0 ! ! D57 D(23,22,27,26) -0.5869 -DE/DX = 0.0 ! ! D58 D(23,22,27,32) 177.353 -DE/DX = 0.0 ! ! D59 D(22,23,24,25) -0.8083 -DE/DX = 0.0 ! ! D60 D(22,23,24,29) 179.4396 -DE/DX = 0.0 ! ! D61 D(28,23,24,25) 179.0955 -DE/DX = 0.0 ! ! D62 D(28,23,24,29) -0.6567 -DE/DX = 0.0 ! ! D63 D(23,24,25,26) -0.1112 -DE/DX = 0.0 ! ! D64 D(23,24,25,30) -179.6926 -DE/DX = 0.0 ! ! D65 D(29,24,25,26) 179.6404 -DE/DX = 0.0 ! ! D66 D(29,24,25,30) 0.059 -DE/DX = 0.0 ! ! D67 D(24,25,26,27) 0.6767 -DE/DX = 0.0 ! ! D68 D(24,25,26,31) -178.9484 -DE/DX = 0.0 ! ! D69 D(30,25,26,27) -179.7417 -DE/DX = 0.0 ! ! D70 D(30,25,26,31) 0.6332 -DE/DX = 0.0 ! ! D71 D(25,26,27,22) -0.3244 -DE/DX = 0.0 ! ! D72 D(25,26,27,32) -178.2987 -DE/DX = 0.0 ! ! D73 D(31,26,27,22) 179.3023 -DE/DX = 0.0 ! ! D74 D(31,26,27,32) 1.328 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 6.504171 -6.551532 1.289144 2 6 0 7.795384 -6.808974 2.048471 3 8 0 5.485491 -7.423551 1.682189 4 7 0 4.697194 -1.390504 2.099975 5 6 0 5.174557 -2.660180 1.903521 6 7 0 6.074799 -2.890922 1.020540 7 6 0 6.556914 -4.147233 0.795793 8 8 0 7.421295 -4.399243 0.007193 9 7 0 5.994490 -5.198612 1.539832 10 6 0 5.042502 -4.965801 2.463242 11 6 0 4.595549 -3.722215 2.693631 12 1 0 6.673324 -6.612432 0.226072 13 1 0 8.552877 -6.096822 1.751326 14 1 0 8.162609 -7.807479 1.827816 15 1 0 3.929186 -1.312713 2.725674 16 6 0 5.244621 -0.181045 1.665736 17 1 0 4.664181 -5.818225 2.986053 18 35 0 3.253465 -3.424849 3.995022 19 1 0 7.623746 -6.734039 3.117010 20 1 0 5.749690 -8.315868 1.504804 21 8 0 6.338597 -0.066116 1.224190 22 6 0 4.334657 0.997192 1.860876 23 6 0 4.930428 2.246561 1.998804 24 6 0 4.150588 3.374412 2.172757 25 6 0 2.767751 3.265621 2.193590 26 6 0 2.167339 2.027885 2.037907 27 6 0 2.948225 0.895021 1.875200 28 1 0 6.000700 2.317822 1.966227 29 1 0 4.617526 4.335709 2.287759 30 1 0 2.161244 4.143877 2.323983 31 1 0 1.095849 1.942686 2.036711 32 1 0 2.466052 -0.054432 1.727953 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.519897 0.000000 3 O 1.397358 2.418155 0.000000 4 N 5.528003 6.241894 6.098656 0.000000 5 C 4.157879 4.909403 4.778637 1.370600 0.000000 6 N 3.695480 4.400930 4.618419 2.305261 1.281926 7 C 2.454960 3.191845 3.559200 3.571974 2.312856 8 O 2.667745 3.180182 3.962245 4.566505 3.415880 9 N 1.467314 2.468845 2.286854 4.061825 2.692248 10 C 2.455508 3.338814 2.616642 3.610256 2.376261 11 C 3.690590 4.492577 3.938895 2.408243 1.444799 12 H 1.078166 2.149136 2.046739 5.889408 4.547574 13 H 2.148854 1.081319 3.342730 6.094035 4.821485 14 H 2.148950 1.086534 2.708425 7.297995 5.952216 15 H 6.011604 6.753885 6.391657 0.993674 2.010609 16 C 6.504720 7.112124 7.246529 1.396793 2.491497 17 H 2.608218 3.415417 2.225237 4.515632 3.377219 18 Br 5.259754 5.989189 5.130376 3.132749 2.941036 19 H 2.151244 1.084827 2.665759 6.176765 4.905855 20 H 1.930967 2.598301 0.947363 7.030124 5.698821 21 O 6.487854 6.947503 7.420876 2.283683 2.923294 22 C 7.875081 8.540963 8.500898 2.426870 3.752815 23 C 8.965864 9.498060 9.691202 3.645940 4.913734 24 C 10.239360 10.816715 10.891218 4.796718 6.126769 25 C 10.543024 11.260356 11.041107 5.040935 6.402497 26 C 9.642362 10.476883 10.023288 4.253164 5.571299 27 C 8.272808 9.103653 8.699058 2.886701 4.194855 28 H 8.909397 9.301938 9.759122 3.933027 5.046478 29 H 11.094533 11.591376 11.806789 5.729845 7.028540 30 H 11.589810 12.320081 12.052714 6.091848 7.453324 31 H 10.097551 11.021590 10.349929 4.907530 6.151420 32 H 7.662327 8.609782 7.963857 2.627068 3.762545 6 7 8 9 10 6 N 0.000000 7 C 1.364281 0.000000 8 O 2.261627 1.196893 0.000000 9 N 2.366759 1.405458 2.241372 0.000000 10 C 2.729863 2.396639 3.465807 1.346539 0.000000 11 C 2.382953 2.762133 3.957291 2.338383 1.341399 12 H 3.852148 2.532851 2.346396 2.045890 3.221164 13 H 4.117367 2.949205 2.684073 2.719716 3.756163 14 H 5.402146 4.128041 3.934499 3.404388 4.267782 15 H 3.162575 4.320173 5.395519 4.557621 3.827975 16 C 2.906700 4.267266 5.028108 5.074853 4.854972 17 H 3.797656 3.342438 4.299860 2.060387 1.069152 18 Br 4.134314 4.655070 5.850045 4.085023 2.814523 19 H 4.643703 3.635622 3.893998 2.738521 3.196388 20 H 5.456212 4.304860 4.514095 3.127050 3.555512 21 O 2.844396 4.109344 4.629180 5.153693 5.217473 22 C 4.341853 5.704204 6.487294 6.422313 6.034996 23 C 5.353533 6.706213 7.371407 7.534818 7.228169 24 C 6.654668 8.016332 8.707290 8.791889 8.392797 25 C 7.086299 8.441682 9.229623 9.081987 8.544210 26 C 6.363799 7.677454 8.546100 8.192522 7.573580 27 C 4.983901 6.293813 7.178234 6.820892 6.251482 28 H 5.294415 6.593651 7.139669 7.528521 7.363174 29 H 7.480219 8.828788 9.453120 9.662230 9.312867 30 H 8.154955 9.507881 10.296629 10.128711 9.555485 31 H 7.013296 8.273465 9.184241 8.674198 7.967760 32 H 4.644261 5.861322 6.811228 6.240821 5.594666 11 12 13 14 15 11 C 0.000000 12 H 4.331206 0.000000 13 H 4.710322 2.474868 0.000000 14 H 5.492079 2.492326 1.756277 0.000000 15 H 2.500153 6.470341 6.724252 7.804486 0.000000 16 C 3.744029 6.743631 6.778517 8.167216 2.033350 17 H 2.117422 3.504984 4.089513 4.187796 4.572489 18 Br 1.892944 6.005090 6.344870 6.928486 2.555183 19 H 4.291889 3.045589 1.770430 1.762006 6.572191 20 H 4.883339 2.321626 3.583685 2.486960 7.338183 21 O 4.308658 6.630425 6.445954 7.976220 3.100600 22 C 4.799412 8.127012 8.254115 9.600861 2.499589 23 C 6.018407 9.201196 9.099199 10.562194 3.768190 24 C 7.129616 10.482882 10.452847 11.884863 4.724816 25 C 7.240217 10.802803 11.014473 12.322817 4.753230 26 C 6.276132 9.911696 10.337702 11.520494 3.838844 27 C 4.970148 8.541535 8.961770 10.145223 2.561187 28 H 6.243846 9.123047 8.795796 10.354454 4.248378 29 H 8.068169 11.328664 11.162994 12.658443 5.707035 30 H 8.242445 11.851510 12.085232 13.382731 5.749901 31 H 6.691080 10.371918 10.969156 12.043606 4.370365 32 H 4.349704 7.934994 8.576739 9.621354 2.172436 16 17 18 19 20 16 C 0.000000 17 H 5.818758 0.000000 18 Br 4.462347 2.955738 0.000000 19 H 7.120966 3.100789 5.551667 0.000000 20 H 8.152076 3.100105 6.029461 2.934872 0.000000 21 O 1.185308 6.244565 5.336351 7.049509 8.275504 22 C 1.501452 6.915528 5.027724 8.495171 9.426675 23 C 2.470409 8.129349 6.241954 9.442221 10.605665 24 C 3.754365 9.242825 7.096157 10.730109 11.818035 25 C 4.277035 9.313469 6.945752 11.154667 11.979035 26 C 3.806251 8.288223 5.894258 10.378254 10.959501 27 C 2.544647 7.017561 4.821628 9.033557 9.634619 28 H 2.627981 8.307923 6.681435 9.267943 10.646656 29 H 4.602307 10.178023 8.062361 11.500623 12.726241 30 H 5.352146 10.293032 7.827576 12.198233 12.992046 31 H 4.675486 8.594532 6.107432 10.911739 11.277371 32 H 2.782148 6.295704 4.137551 8.552686 8.892885 21 22 23 24 25 21 O 0.000000 22 C 2.356219 0.000000 23 C 2.816281 1.391003 0.000000 24 C 4.186215 2.404647 1.382193 0.000000 25 C 4.979071 2.776988 2.398666 1.387266 0.000000 26 C 4.737760 2.406436 2.772004 2.400958 1.384458 27 C 3.583604 1.390266 2.402305 2.771570 2.398685 28 H 2.519514 2.128581 1.073136 2.140549 3.376681 29 H 4.844515 3.377564 2.132121 1.074871 2.139070 30 H 6.031904 3.852249 3.372526 2.138326 1.075262 31 H 5.672908 3.378573 3.846788 3.376357 2.137762 32 H 3.905191 2.148318 3.382467 3.846100 3.366095 26 27 28 29 30 26 C 0.000000 27 C 1.385510 0.000000 28 H 3.844978 3.369013 0.000000 29 H 3.375187 3.846440 2.467472 0.000000 30 H 2.135252 3.372805 4.266602 2.464028 0.000000 31 H 1.074873 2.134241 4.919681 4.265184 2.462283 32 H 2.126346 1.075004 4.263578 4.920931 4.251349 31 32 31 H 0.000000 32 H 2.441571 0.000000 Stoichiometry C13H12BrN3O3 Framework group C1[X(C13H12BrN3O3)] 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 -4.489723 -0.727200 -0.351850 2 6 0 -5.095876 -1.150002 0.976270 3 8 0 -5.000136 0.496977 -0.791714 4 7 0 1.001659 -0.214981 0.023878 5 6 0 -0.359050 -0.363497 -0.046536 6 7 0 -0.881727 -1.518330 -0.237597 7 6 0 -2.232156 -1.691312 -0.325254 8 8 0 -2.760893 -2.755681 -0.467062 9 7 0 -3.037994 -0.542621 -0.244963 10 6 0 -2.496317 0.675093 -0.052807 11 6 0 -1.168387 0.828740 0.058303 12 1 0 -4.637187 -1.494374 -1.094912 13 1 0 -4.655786 -2.079746 1.309660 14 1 0 -6.165910 -1.301626 0.864053 15 1 0 1.329471 0.722035 0.067772 16 6 0 1.973895 -1.201750 0.202978 17 1 0 -3.175943 1.499015 -0.004363 18 35 0 -0.434155 2.553140 0.323977 19 1 0 -4.934091 -0.381222 1.724369 20 1 0 -5.936416 0.421218 -0.914742 21 8 0 1.738388 -2.316612 0.529433 22 6 0 3.377524 -0.709285 -0.001132 23 6 0 4.394003 -1.388470 0.662468 24 6 0 5.709710 -0.992725 0.511602 25 6 0 6.022687 0.074897 -0.317092 26 6 0 5.018046 0.743552 -0.995560 27 6 0 3.697655 0.355276 -0.836036 28 1 0 4.138840 -2.221612 1.288876 29 1 0 6.489570 -1.516157 1.034273 30 1 0 7.046816 0.379375 -0.438096 31 1 0 5.259067 1.560311 -1.651431 32 1 0 2.932495 0.867029 -1.391258 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5010496 0.1427236 0.1155153 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) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -490.09407 -64.50509 -58.64443 -58.64261 -58.64231 Alpha occ. eigenvalues -- -20.59780 -20.54568 -20.52008 -15.63748 -15.61791 Alpha occ. eigenvalues -- -15.55163 -11.37879 -11.36921 -11.36790 -11.34539 Alpha occ. eigenvalues -- -11.33201 -11.30225 -11.25559 -11.25404 -11.25012 Alpha occ. eigenvalues -- -11.24658 -11.24617 -11.24335 -11.23192 -9.75291 Alpha occ. eigenvalues -- -7.50209 -7.49352 -7.49281 -3.24113 -3.23713 Alpha occ. eigenvalues -- -3.23641 -3.22630 -3.22629 -1.43020 -1.41608 Alpha occ. eigenvalues -- -1.40355 -1.32004 -1.28646 -1.21287 -1.17073 Alpha occ. eigenvalues -- -1.12406 -1.05071 -1.03964 -1.03208 -0.99605 Alpha occ. eigenvalues -- -0.94780 -0.90558 -0.87766 -0.84995 -0.83888 Alpha occ. eigenvalues -- -0.81754 -0.77045 -0.73972 -0.73105 -0.71611 Alpha occ. eigenvalues -- -0.69971 -0.68342 -0.67179 -0.64893 -0.63829 Alpha occ. eigenvalues -- -0.63673 -0.62508 -0.61652 -0.61253 -0.60436 Alpha occ. eigenvalues -- -0.59502 -0.57939 -0.57022 -0.55541 -0.53389 Alpha occ. eigenvalues -- -0.52873 -0.52576 -0.51340 -0.50785 -0.49946 Alpha occ. eigenvalues -- -0.47334 -0.46554 -0.44884 -0.43970 -0.43879 Alpha occ. eigenvalues -- -0.40709 -0.39232 -0.35177 -0.34725 -0.33241 Alpha virt. eigenvalues -- 0.08191 0.11423 0.13010 0.15064 0.16668 Alpha virt. eigenvalues -- 0.19808 0.22736 0.24110 0.25690 0.27073 Alpha virt. eigenvalues -- 0.28523 0.29078 0.30114 0.30292 0.30744 Alpha virt. eigenvalues -- 0.32301 0.33058 0.33502 0.34159 0.35228 Alpha virt. eigenvalues -- 0.36604 0.38658 0.39684 0.40788 0.41879 Alpha virt. eigenvalues -- 0.42771 0.44367 0.45033 0.46983 0.47267 Alpha virt. eigenvalues -- 0.48029 0.49910 0.52213 0.52449 0.53362 Alpha virt. eigenvalues -- 0.56905 0.58165 0.61627 0.62360 0.63679 Alpha virt. eigenvalues -- 0.64177 0.64503 0.65806 0.67492 0.68496 Alpha virt. eigenvalues -- 0.69841 0.70684 0.71407 0.72978 0.74158 Alpha virt. eigenvalues -- 0.74652 0.75826 0.76479 0.77099 0.77661 Alpha virt. eigenvalues -- 0.78306 0.79815 0.80791 0.81468 0.82745 Alpha virt. eigenvalues -- 0.83017 0.83312 0.83374 0.84175 0.84960 Alpha virt. eigenvalues -- 0.85963 0.86953 0.89034 0.89928 0.91332 Alpha virt. eigenvalues -- 0.92602 0.93617 0.94804 0.96320 0.97449 Alpha virt. eigenvalues -- 0.97996 0.98748 1.00223 1.00344 1.03380 Alpha virt. eigenvalues -- 1.04345 1.05902 1.07643 1.08475 1.09450 Alpha virt. eigenvalues -- 1.09883 1.10614 1.10937 1.11721 1.12310 Alpha virt. eigenvalues -- 1.13192 1.13343 1.14539 1.15335 1.16845 Alpha virt. eigenvalues -- 1.17394 1.18350 1.19004 1.20238 1.21286 Alpha virt. eigenvalues -- 1.21777 1.23733 1.23898 1.24400 1.25799 Alpha virt. eigenvalues -- 1.26326 1.28924 1.30745 1.31239 1.32902 Alpha virt. eigenvalues -- 1.33848 1.35330 1.37437 1.39426 1.40311 Alpha virt. eigenvalues -- 1.40995 1.43133 1.43390 1.44866 1.47736 Alpha virt. eigenvalues -- 1.48917 1.50996 1.51691 1.54435 1.55396 Alpha virt. eigenvalues -- 1.55814 1.56371 1.63482 1.64897 1.66012 Alpha virt. eigenvalues -- 1.68740 1.69133 1.70095 1.70673 1.71096 Alpha virt. eigenvalues -- 1.72361 1.72772 1.75015 1.76084 1.76463 Alpha virt. eigenvalues -- 1.77855 1.77932 1.80745 1.81394 1.84512 Alpha virt. eigenvalues -- 1.86135 1.91426 1.94985 1.97196 1.99407 Alpha virt. eigenvalues -- 2.00591 2.04016 2.04641 2.06101 2.07871 Alpha virt. eigenvalues -- 2.09183 2.10600 2.11959 2.13357 2.14145 Alpha virt. eigenvalues -- 2.14811 2.16045 2.17240 2.18425 2.20509 Alpha virt. eigenvalues -- 2.21322 2.22144 2.24942 2.25335 2.28250 Alpha virt. eigenvalues -- 2.28923 2.30657 2.31513 2.33073 2.34053 Alpha virt. eigenvalues -- 2.38388 2.38774 2.40274 2.42389 2.43284 Alpha virt. eigenvalues -- 2.45598 2.46682 2.47309 2.48069 2.51144 Alpha virt. eigenvalues -- 2.52913 2.54033 2.55824 2.57392 2.60274 Alpha virt. eigenvalues -- 2.62307 2.63087 2.63270 2.64039 2.66761 Alpha virt. eigenvalues -- 2.68686 2.69596 2.71075 2.72849 2.75672 Alpha virt. eigenvalues -- 2.80129 2.81922 2.84675 2.85569 2.87809 Alpha virt. eigenvalues -- 2.91550 2.91904 2.93560 2.96686 2.99030 Alpha virt. eigenvalues -- 3.00626 3.02423 3.02786 3.05690 3.07089 Alpha virt. eigenvalues -- 3.10124 3.10986 3.11800 3.12074 3.16944 Alpha virt. eigenvalues -- 3.18981 3.19514 3.24828 3.30087 3.30486 Alpha virt. eigenvalues -- 3.34003 3.38848 3.40284 3.55108 3.60266 Alpha virt. eigenvalues -- 3.74211 3.83877 3.86657 4.23746 4.44200 Alpha virt. eigenvalues -- 4.46787 4.48875 4.51425 4.53117 4.54723 Alpha virt. eigenvalues -- 4.57169 4.61927 4.64639 4.74518 4.74843 Alpha virt. eigenvalues -- 4.78606 4.80853 4.89090 4.98404 5.04657 Alpha virt. eigenvalues -- 5.11046 5.15271 9.27358 74.86814 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.561976 0.374628 0.219640 0.000008 0.000290 0.003267 2 C 0.374628 5.189666 -0.059405 -0.000000 0.000043 -0.000284 3 O 0.219640 -0.059405 8.416329 -0.000000 -0.000003 -0.000035 4 N 0.000008 -0.000000 -0.000000 7.588758 0.264829 -0.089352 5 C 0.000290 0.000043 -0.000003 0.264829 4.221730 0.534842 6 N 0.003267 -0.000284 -0.000035 -0.089352 0.534842 7.073648 7 C -0.019323 -0.000911 0.000807 0.002898 -0.031144 0.421823 8 O 0.006451 -0.005182 0.000214 -0.000002 0.000791 -0.080750 9 N 0.188215 -0.072794 -0.052474 -0.000451 -0.009902 -0.119649 10 C -0.028592 -0.000828 -0.006619 0.002643 -0.057541 -0.014902 11 C 0.001571 -0.000129 0.000260 -0.096736 0.404657 -0.059657 12 H 0.430004 -0.054603 -0.034243 0.000000 -0.000034 0.000172 13 H -0.026924 0.377201 0.003024 0.000000 -0.000010 0.000011 14 H -0.036912 0.383896 0.000285 0.000000 -0.000000 0.000002 15 H 0.000000 0.000000 0.000000 0.302105 -0.023804 0.002137 16 C -0.000000 -0.000000 0.000000 0.199003 -0.011985 0.002372 17 H -0.003219 0.000113 0.008534 -0.000069 0.002373 -0.000445 18 Br -0.000073 0.000001 -0.000009 -0.009295 -0.050778 0.002221 19 H -0.031318 0.378752 0.000958 -0.000000 -0.000009 -0.000011 20 H -0.023245 -0.000396 0.267954 0.000000 0.000000 0.000003 21 O 0.000000 -0.000000 -0.000000 -0.098015 0.007956 -0.011147 22 C 0.000000 -0.000000 0.000000 -0.124501 0.003064 -0.000539 23 C -0.000000 0.000000 -0.000000 0.004379 -0.000082 0.000005 24 C -0.000000 0.000000 0.000000 -0.000044 0.000002 0.000000 25 C 0.000000 -0.000000 -0.000000 -0.000009 -0.000000 -0.000000 26 C -0.000000 0.000000 -0.000000 0.000129 -0.000003 -0.000000 27 C -0.000000 0.000000 -0.000000 -0.002996 0.000521 0.000004 28 H 0.000000 0.000000 0.000000 0.000313 -0.000001 0.000001 29 H -0.000000 0.000000 0.000000 0.000001 -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 0.000002 0.000000 0.000000 32 H 0.000000 0.000000 -0.000000 0.004457 0.000062 -0.000018 7 8 9 10 11 12 1 C -0.019323 0.006451 0.188215 -0.028592 0.001571 0.430004 2 C -0.000911 -0.005182 -0.072794 -0.000828 -0.000129 -0.054603 3 O 0.000807 0.000214 -0.052474 -0.006619 0.000260 -0.034243 4 N 0.002898 -0.000002 -0.000451 0.002643 -0.096736 0.000000 5 C -0.031144 0.000791 -0.009902 -0.057541 0.404657 -0.000034 6 N 0.421823 -0.080750 -0.119649 -0.014902 -0.059657 0.000172 7 C 3.836614 0.619134 0.238187 -0.035783 -0.017751 -0.002929 8 O 0.619134 8.177506 -0.118538 0.001239 0.000460 0.007655 9 N 0.238187 -0.118538 7.536057 0.311802 -0.041698 -0.051725 10 C -0.035783 0.001239 0.311802 4.678393 0.594976 0.003701 11 C -0.017751 0.000460 -0.041698 0.594976 5.191689 0.000089 12 H -0.002929 0.007655 -0.051725 0.003701 0.000089 0.480448 13 H 0.001505 0.005749 -0.002997 0.000148 0.000015 -0.000211 14 H 0.000080 0.000036 0.004763 -0.000083 0.000001 -0.001382 15 H -0.000051 0.000001 0.000001 0.000349 -0.004114 -0.000000 16 C -0.000080 -0.000016 0.000014 -0.000045 0.003506 0.000000 17 H 0.000615 -0.000087 -0.030443 0.383660 -0.032441 0.000301 18 Br 0.000367 0.000002 0.002634 -0.062417 0.268998 0.000001 19 H 0.000005 0.000032 -0.003481 0.001768 0.000024 0.003970 20 H 0.000026 0.000015 0.005620 0.000137 0.000005 -0.002468 21 O -0.000197 0.000005 -0.000003 -0.000000 0.000136 -0.000000 22 C 0.000001 -0.000000 -0.000000 0.000002 -0.000219 0.000000 23 C 0.000000 -0.000000 0.000000 -0.000000 0.000001 -0.000000 24 C 0.000000 -0.000000 0.000000 -0.000000 0.000000 0.000000 25 C 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000000 26 C -0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 27 C -0.000000 -0.000000 0.000000 -0.000001 -0.000030 -0.000000 28 H 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 29 H -0.000000 -0.000000 0.000000 -0.000000 0.000000 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 0.000000 32 H 0.000000 -0.000000 0.000000 -0.000001 -0.000024 -0.000000 13 14 15 16 17 18 1 C -0.026924 -0.036912 0.000000 -0.000000 -0.003219 -0.000073 2 C 0.377201 0.383896 0.000000 -0.000000 0.000113 0.000001 3 O 0.003024 0.000285 0.000000 0.000000 0.008534 -0.000009 4 N 0.000000 0.000000 0.302105 0.199003 -0.000069 -0.009295 5 C -0.000010 -0.000000 -0.023804 -0.011985 0.002373 -0.050778 6 N 0.000011 0.000002 0.002137 0.002372 -0.000445 0.002221 7 C 0.001505 0.000080 -0.000051 -0.000080 0.000615 0.000367 8 O 0.005749 0.000036 0.000001 -0.000016 -0.000087 0.000002 9 N -0.002997 0.004763 0.000001 0.000014 -0.030443 0.002634 10 C 0.000148 -0.000083 0.000349 -0.000045 0.383660 -0.062417 11 C 0.000015 0.000001 -0.004114 0.003506 -0.032441 0.268998 12 H -0.000211 -0.001382 -0.000000 0.000000 0.000301 0.000001 13 H 0.463481 -0.020611 -0.000000 0.000000 -0.000017 -0.000000 14 H -0.020611 0.533484 0.000000 0.000000 -0.000012 -0.000000 15 H -0.000000 0.000000 0.279224 -0.011463 -0.000005 0.019905 16 C 0.000000 0.000000 -0.011463 4.034325 0.000000 0.000800 17 H -0.000017 -0.000012 -0.000005 0.000000 0.373049 0.000785 18 Br -0.000000 -0.000000 0.019905 0.000800 0.000785 34.918802 19 H -0.020409 -0.025841 -0.000000 0.000000 0.000316 0.000001 20 H 0.000018 0.001693 -0.000000 0.000000 -0.000177 -0.000000 21 O 0.000000 0.000000 0.001833 0.640281 -0.000000 -0.000003 22 C 0.000000 0.000000 0.000871 0.397360 -0.000000 -0.000124 23 C -0.000000 -0.000000 -0.000359 -0.028672 0.000000 0.000002 24 C 0.000000 -0.000000 -0.000029 0.002842 -0.000000 0.000000 25 C 0.000000 0.000000 -0.000009 0.000035 -0.000000 0.000000 26 C -0.000000 -0.000000 -0.000053 0.001857 -0.000000 -0.000008 27 C -0.000000 -0.000000 0.006033 -0.040173 0.000000 -0.000316 28 H -0.000000 -0.000000 -0.000022 -0.002287 0.000000 0.000000 29 H -0.000000 -0.000000 0.000000 -0.000079 0.000000 -0.000000 30 H -0.000000 -0.000000 -0.000000 0.000005 -0.000000 0.000000 31 H -0.000000 0.000000 -0.000001 -0.000076 0.000000 -0.000001 32 H -0.000000 -0.000000 0.000617 -0.002374 0.000000 0.000455 19 20 21 22 23 24 1 C -0.031318 -0.023245 0.000000 0.000000 -0.000000 -0.000000 2 C 0.378752 -0.000396 -0.000000 -0.000000 0.000000 0.000000 3 O 0.000958 0.267954 -0.000000 0.000000 -0.000000 0.000000 4 N -0.000000 0.000000 -0.098015 -0.124501 0.004379 -0.000044 5 C -0.000009 0.000000 0.007956 0.003064 -0.000082 0.000002 6 N -0.000011 0.000003 -0.011147 -0.000539 0.000005 0.000000 7 C 0.000005 0.000026 -0.000197 0.000001 0.000000 0.000000 8 O 0.000032 0.000015 0.000005 -0.000000 -0.000000 -0.000000 9 N -0.003481 0.005620 -0.000003 -0.000000 0.000000 0.000000 10 C 0.001768 0.000137 -0.000000 0.000002 -0.000000 -0.000000 11 C 0.000024 0.000005 0.000136 -0.000219 0.000001 0.000000 12 H 0.003970 -0.002468 -0.000000 0.000000 -0.000000 0.000000 13 H -0.020409 0.000018 0.000000 0.000000 -0.000000 0.000000 14 H -0.025841 0.001693 0.000000 0.000000 -0.000000 -0.000000 15 H -0.000000 -0.000000 0.001833 0.000871 -0.000359 -0.000029 16 C 0.000000 0.000000 0.640281 0.397360 -0.028672 0.002842 17 H 0.000316 -0.000177 -0.000000 -0.000000 0.000000 -0.000000 18 Br 0.000001 -0.000000 -0.000003 -0.000124 0.000002 0.000000 19 H 0.524055 -0.000205 -0.000000 -0.000000 -0.000000 0.000000 20 H -0.000205 0.289657 0.000000 0.000000 0.000000 -0.000000 21 O -0.000000 0.000000 8.046898 -0.084739 0.003667 0.000574 22 C -0.000000 0.000000 -0.084739 5.039098 0.538401 -0.043684 23 C -0.000000 0.000000 0.003667 0.538401 4.887204 0.537675 24 C 0.000000 -0.000000 0.000574 -0.043684 0.537675 4.915341 25 C 0.000000 0.000000 -0.000006 -0.030892 -0.043125 0.544853 26 C -0.000000 0.000000 -0.000050 -0.039125 -0.035057 -0.041800 27 C -0.000000 -0.000000 0.001663 0.533813 -0.042242 -0.036339 28 H -0.000000 0.000000 0.007262 -0.029544 0.378610 -0.028394 29 H 0.000000 -0.000000 -0.000000 0.002225 -0.028429 0.383765 30 H -0.000000 0.000000 -0.000000 0.000242 0.002392 -0.029969 31 H 0.000000 -0.000000 0.000000 0.001914 0.000285 0.002444 32 H -0.000000 0.000000 -0.000044 -0.034431 0.002764 0.000137 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 -0.000009 0.000129 -0.002996 0.000313 0.000001 -0.000000 5 C -0.000000 -0.000003 0.000521 -0.000001 -0.000000 -0.000000 6 N -0.000000 -0.000000 0.000004 0.000001 0.000000 0.000000 7 C 0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 8 O -0.000000 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 9 N -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 10 C 0.000000 -0.000000 -0.000001 -0.000000 -0.000000 0.000000 11 C -0.000000 -0.000000 -0.000030 0.000000 0.000000 0.000000 12 H 0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 13 H 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 14 H 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 15 H -0.000009 -0.000053 0.006033 -0.000022 0.000000 -0.000000 16 C 0.000035 0.001857 -0.040173 -0.002287 -0.000079 0.000005 17 H -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 18 Br 0.000000 -0.000008 -0.000316 0.000000 -0.000000 0.000000 19 H 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 20 H 0.000000 0.000000 -0.000000 0.000000 -0.000000 0.000000 21 O -0.000006 -0.000050 0.001663 0.007262 -0.000000 -0.000000 22 C -0.030892 -0.039125 0.533813 -0.029544 0.002225 0.000242 23 C -0.043125 -0.035057 -0.042242 0.378610 -0.028429 0.002392 24 C 0.544853 -0.041800 -0.036339 -0.028394 0.383765 -0.029969 25 C 4.874289 0.556563 -0.045285 0.002361 -0.030603 0.382970 26 C 0.556563 4.889546 0.543020 0.000057 0.002510 -0.030348 27 C -0.045285 0.543020 4.940316 0.002891 0.000241 0.002821 28 H 0.002361 0.000057 0.002891 0.419747 -0.001399 -0.000095 29 H -0.030603 0.002510 0.000241 -0.001399 0.459638 -0.001570 30 H 0.382970 -0.030348 0.002821 -0.000095 -0.001570 0.462919 31 H -0.028967 0.383945 -0.029883 0.000010 -0.000110 -0.001586 32 H 0.002385 -0.024046 0.375430 -0.000099 0.000011 -0.000112 31 32 1 C -0.000000 0.000000 2 C -0.000000 0.000000 3 O 0.000000 -0.000000 4 N 0.000002 0.004457 5 C 0.000000 0.000062 6 N 0.000000 -0.000018 7 C -0.000000 0.000000 8 O -0.000000 -0.000000 9 N 0.000000 0.000000 10 C -0.000000 -0.000001 11 C -0.000000 -0.000024 12 H 0.000000 -0.000000 13 H -0.000000 -0.000000 14 H 0.000000 -0.000000 15 H -0.000001 0.000617 16 C -0.000076 -0.002374 17 H 0.000000 0.000000 18 Br -0.000001 0.000455 19 H 0.000000 -0.000000 20 H -0.000000 0.000000 21 O 0.000000 -0.000044 22 C 0.001914 -0.034431 23 C 0.000285 0.002764 24 C 0.002444 0.000137 25 C -0.028967 0.002385 26 C 0.383945 -0.024046 27 C -0.029883 0.375430 28 H 0.000010 -0.000099 29 H -0.000110 0.000011 30 H -0.001586 -0.000112 31 H 0.462363 -0.001493 32 H -0.001493 0.458087 Mulliken charges: 1 1 C 0.383557 2 C -0.509767 3 O -0.765216 4 N -0.948053 5 C 0.744134 6 N -0.663718 7 C 0.986107 8 O -0.614718 9 N -0.783137 10 C 0.227994 11 C -0.213591 12 H 0.221252 13 H 0.220026 14 H 0.160603 15 H 0.426833 16 C 0.814849 17 H 0.297167 18 Br -0.091951 19 H 0.171395 20 H 0.461363 21 O -0.516073 22 C -0.129193 23 C -0.177420 24 C -0.207374 25 C -0.184557 26 C -0.207137 27 C -0.209489 28 H 0.250590 29 H 0.213799 30 H 0.212332 31 H 0.211154 32 H 0.218238 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.604809 2 C 0.042257 3 O -0.303852 4 N -0.521220 5 C 0.744134 6 N -0.663718 7 C 0.986107 8 O -0.614718 9 N -0.783137 10 C 0.525161 11 C -0.213591 16 C 0.814849 18 Br -0.091951 21 O -0.516073 22 C -0.129193 23 C 0.073170 24 C 0.006425 25 C 0.027774 26 C 0.004017 27 C 0.008749 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147187740 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= 24.97 Shift= 11.651881 5.207482 3.120751 Box 1 Number 0 centers from 1 to 112: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.89D+01 RnKept= 2.28D+01 NSMCal= 6328 NSMKep= 4588 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 4588 NTPThr= 100 NPartT= 1 Incr= 45 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 45. PRISM was handed 2146758053 working-precision words and 4588 shell-pairs IPart= 0 NShTot= 4588 NBatch= 107 AvBLen= 42.9 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 46. Electronic moments (au): -170.00000000 -0.41046184 2.46651601 0.07400149 -6748.64668399 -1694.19644689 -276.41035842 -0.95580609 -0.68622751 -3.08197688 -10408.70371437 -1175.05339555 27.21467009 1321.85151776 5771.02265873 1095.65721962 -56.68206380 116.88872971 -528.89038633 817.87115769 -591861.37497617 -35755.64220176 -1594.10904929 -5678.43611478 5830.24920183 -1118.26552585 -2125.54481246 1091.76251459 497.95341442 -32711.79652063 -17115.92447941 -2259.99294111 9885.21028556 -1363.46993614 -832.33594284 Electronic spatial extent (au): = 8719.2535 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 170.00000000 -0.00000000 0.00000000 -0.00000000 6690.97914179 1583.51579719 181.75637297 -0.00000000 -0.00000000 -0.00000000 10230.15957487 1369.67350678 -17.55782085 -1304.82821410 -5733.80580231 -1102.13525901 28.63067001 -88.38637070 542.47266670 -837.31892182 574107.35407484 30540.61592718 640.95614417 5666.37862202 -5339.99701169 841.17072906 2135.54711032 -1013.60238260 -455.48957233 27758.12548636 12974.49533262 1311.30576846 -10156.53005710 1337.31540930 842.51051196 Total moments (au): -0.00000000 -0.41046184 2.46651601 0.07400149 -57.66754221 -110.68064970 -94.65398545 -0.95580609 -0.68622751 -3.08197688 -178.54413950 194.62011122 9.65684924 17.02330366 37.21685642 -6.47803939 -28.05139379 28.50235901 13.58228037 -19.44776414 -17754.02090133 -5215.02627458 -953.15290513 -12.05749277 490.25219014 -277.09479679 10.00229785 78.16013200 42.46384209 -4953.67103428 -4141.42914679 -948.68717265 -271.31977154 -26.15452683 10.17456912 Traceless Quadrup. (au): 29.99985024 -23.01325725 -6.98659300 -0.95580609 -0.68622751 -3.08197688 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= -1.0433 Y= 6.2693 Z= 0.1881 Tot= 6.3583 Quadrupole moment (field-independent basis, Debye-Ang): XX= -77.5648 YY= -148.8693 ZZ= -127.3129 XY= -1.2856 XZ= -0.9230 YZ= -4.1454 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 40.3508 YY= -30.9536 ZZ= -9.3972 XY= -1.2856 XZ= -0.9230 YZ= -4.1454 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -127.0808 YYY= 138.5231 ZZZ= 6.8734 XYY= 12.1165 XXY= 26.4895 XXZ= -4.6108 XZZ= -19.9659 YZZ= 20.2869 YYZ= 9.6673 XYZ= -13.8422 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -6687.0156 YYYY= -1964.2290 ZZZZ= -359.0031 XXXY= -4.5414 XXXZ= 184.6525 YYYX= -104.3672 YYYZ= 3.7673 ZZZX= 29.4389 ZZZY= 15.9939 XXYY= -1865.7900 XXZZ= -1559.8608 YYZZ= -357.3211 XXYZ= -102.1920 YYXZ= -9.8510 ZZXY= 3.8322 N-N= 1.892865136057D+03 E-N=-1.199847449186D+04 KE= 3.444201872122D+03 Entering OneElI... OneElI was handed 2147244199 working-precision words. Calculate electrostatic properties NBasis = 339 MinDer = 0 MaxDer = 0 NGrid = 32 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 32.44 SMaxX= 24.97 Shift= 11.651881 5.207482 3.120751 Box 1 Number 0 centers from 1 to 112: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.24D+01 RnKept= 1.82D+01 NSMCal= 6328 NSMKep= 3863 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 123616 NTPThr= 100 NPartT= 12 Incr= 103 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 103. PRISM was handed 178795955 working-precision words and 3863 shell-pairs PRISM was handed 178795955 working-precision words and 3863 shell-pairs PRISM was handed 178795955 working-precision words and 3863 shell-pairs PRISM was handed 178795955 working-precision words and 3863 shell-pairs PRISM was handed 178795955 working-precision words and 3863 shell-pairs PRISM was handed 178795955 working-precision words and 3863 shell-pairs PRISM was handed 178795955 working-precision words and 3863 shell-pairs PRISM was handed 178795955 working-precision words and 3863 shell-pairs PRISM was handed 178795955 working-precision words and 3863 shell-pairs PRISM was handed 178795955 working-precision words and 3863 shell-pairs PRISM was handed 178795955 working-precision words and 3863 shell-pairs PRISM was handed 178795955 working-precision words and 3863 shell-pairs IPart= 7 NShTot= 9952 NBatch= 311 AvBLen= 32.0 IPart= 6 NShTot= 10176 NBatch= 318 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 0 NShTot= 11936 NBatch= 373 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. 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= 9. IPart= 11 NShTot= 9280 NBatch= 290 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 9536 NBatch= 298 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 8 NShTot= 9888 NBatch= 309 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 9 NShTot= 9728 NBatch= 304 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 10432 NBatch= 326 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 10592 NBatch= 331 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 10720 NBatch= 335 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 11104 NBatch= 347 AvBLen= 32.0 PrsmSu-ThDecC: IPartSL= 1 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 -0.258151 -0.058649 0.316800 2 Atom -0.013499 0.058364 -0.044865 3 Atom -1.162665 -0.414200 1.576865 4 Atom -0.528911 -0.355823 0.884734 5 Atom 0.119930 0.331999 -0.451929 6 Atom -0.130624 0.417438 -0.286814 7 Atom 0.197573 0.215112 -0.412685 8 Atom 1.104798 -0.430919 -0.673879 9 Atom -0.380761 -0.375654 0.756415 10 Atom 0.340583 0.121675 -0.462259 11 Atom 0.112597 -0.320984 0.208388 12 Atom 0.129758 -0.067290 -0.062468 13 Atom 0.078897 -0.187678 0.108782 14 Atom -0.296933 0.153759 0.143174 15 Atom 0.096790 -0.355936 0.259147 16 Atom 0.207282 0.214486 -0.421768 17 Atom -0.029743 -0.136850 0.166593 18 Atom 1.761897 -5.421539 3.659643 19 Atom 0.146532 -0.079901 -0.066631 20 Atom -0.504052 0.228804 0.275248 21 Atom 1.751194 -0.618527 -1.132667 22 Atom 0.062598 0.006460 -0.069058 23 Atom 0.201574 -0.041500 -0.160074 24 Atom 0.162692 -0.027123 -0.135569 25 Atom 0.159018 -0.020927 -0.138091 26 Atom 0.176215 -0.048093 -0.128121 27 Atom 0.182373 -0.050527 -0.131847 28 Atom 0.129871 -0.127699 -0.002172 29 Atom -0.100992 0.048159 0.052833 30 Atom -0.282669 0.123116 0.159553 31 Atom 0.128288 -0.115782 -0.012506 32 Atom -0.093452 0.055035 0.038416 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.114675 -0.113356 0.182012 2 Atom -0.023368 0.029063 -0.005983 3 Atom 0.619436 -0.679338 0.759462 4 Atom 0.017509 -0.126373 0.026243 5 Atom 0.022170 0.042428 0.105079 6 Atom -0.706461 -0.093252 0.025705 7 Atom 0.177962 0.058558 0.074314 8 Atom -1.003338 -0.032854 -0.010598 9 Atom -0.060184 -0.061818 -0.160972 10 Atom -0.125406 0.039189 0.058211 11 Atom -0.167625 -0.025194 -0.082428 12 Atom -0.049300 -0.050123 -0.222133 13 Atom 0.162069 -0.056576 0.129970 14 Atom -0.063496 -0.049948 -0.002268 15 Atom -0.184105 -0.012886 -0.023188 16 Atom 0.153162 -0.078143 -0.187648 17 Atom 0.227689 0.017471 -0.020483 18 Atom -3.577435 -0.528960 -1.420619 19 Atom -0.055226 -0.044544 -0.228911 20 Atom -0.061346 -0.105552 0.009969 21 Atom -0.444818 -0.123920 -0.029905 22 Atom -0.017687 0.051640 -0.208997 23 Atom 0.057877 0.042516 -0.287789 24 Atom 0.052252 0.025365 -0.241317 25 Atom 0.021560 0.051932 -0.291868 26 Atom 0.016623 0.046680 -0.226515 27 Atom 0.058209 0.017544 -0.253605 28 Atom -0.082359 0.064573 0.228004 29 Atom 0.168570 -0.171697 0.125227 30 Atom -0.131193 0.050014 0.025258 31 Atom -0.083463 0.063862 0.235155 32 Atom 0.163345 -0.173046 0.128862 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -0.5422 2.604 0.929 0.869 0.9904 -0.1056 0.0897 4 N(14) Bbb -0.3542 1.701 0.607 0.567 0.1070 0.9942 -0.0101 Bcc 0.8964 -4.305 -1.536 -1.436 -0.0881 0.0196 0.9959 Baa -0.6260 3.006 1.073 1.003 0.8162 0.5481 0.1829 6 N(14) Bbb -0.2798 1.344 0.479 0.448 -0.1164 -0.1541 0.9812 Bcc 0.9057 -4.350 -1.552 -1.451 -0.5660 0.8221 0.0620 Baa -0.4591 2.205 0.787 0.736 0.6668 0.7336 0.1311 9 N(14) Bbb -0.3222 1.547 0.552 0.516 0.7438 -0.6660 -0.0568 Bcc 0.7813 -3.752 -1.339 -1.252 -0.0456 -0.1353 0.9897 Baa -7.1123 523.064 186.642 174.475 0.3774 0.9155 0.1393 18 Br(79) Bbb 3.2352 -237.926 -84.898 -79.364 0.9258 -0.3691 -0.0818 Bcc 3.8771 -285.137 -101.744 -95.112 0.0235 -0.1598 0.9869 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Tue May 7 12:28:31 2024, MaxMem= 2147483648 cpu: 1.4 elap: 0.2 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 6 1.50 6 7 1.50 7 6 1.50 8 8 1.40 9 7 1.50 10 6 1.50 11 6 1.50 12 1 1.20 13 1 1.20 14 1 1.20 15 1 1.20 16 6 1.50 17 1 1.20 18 35 2.30 19 1 1.20 20 1 1.20 21 8 1.40 22 6 1.50 23 6 1.50 24 6 1.50 25 6 1.50 26 6 1.50 27 6 1.50 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 -4.489723 -0.727200 -0.351850 Atomic Center 2 is at -5.095876 -1.150002 0.976270 Atomic Center 3 is at -5.000136 0.496977 -0.791714 Atomic Center 4 is at 1.001659 -0.214981 0.023878 Atomic Center 5 is at -0.359050 -0.363497 -0.046536 Atomic Center 6 is at -0.881727 -1.518330 -0.237597 Atomic Center 7 is at -2.232156 -1.691312 -0.325254 Atomic Center 8 is at -2.760893 -2.755681 -0.467062 Atomic Center 9 is at -3.037994 -0.542621 -0.244963 Atomic Center 10 is at -2.496317 0.675093 -0.052807 Atomic Center 11 is at -1.168387 0.828740 0.058303 Atomic Center 12 is at -4.637187 -1.494374 -1.094912 Atomic Center 13 is at -4.655786 -2.079746 1.309660 Atomic Center 14 is at -6.165910 -1.301626 0.864053 Atomic Center 15 is at 1.329471 0.722035 0.067772 Atomic Center 16 is at 1.973895 -1.201750 0.202978 Atomic Center 17 is at -3.175943 1.499015 -0.004363 Atomic Center 18 is at -0.434155 2.553140 0.323977 Atomic Center 19 is at -4.934091 -0.381222 1.724369 Atomic Center 20 is at -5.936416 0.421218 -0.914742 Atomic Center 21 is at 1.738388 -2.316612 0.529433 Atomic Center 22 is at 3.377524 -0.709285 -0.001132 Atomic Center 23 is at 4.394003 -1.388470 0.662468 Atomic Center 24 is at 5.709710 -0.992725 0.511602 Atomic Center 25 is at 6.022687 0.074897 -0.317092 Atomic Center 26 is at 5.018046 0.743552 -0.995560 Atomic Center 27 is at 3.697655 0.355276 -0.836036 Atomic Center 28 is at 4.138840 -2.221612 1.288876 Atomic Center 29 is at 6.489570 -1.516157 1.034273 Atomic Center 30 is at 7.046816 0.379375 -0.438096 Atomic Center 31 is at 5.259067 1.560311 -1.651431 Atomic Center 32 is at 2.932495 0.867029 -1.391258 ESP Fit Center 33 is at -6.290570 -1.726752 -0.761540 ESP Fit Center 34 is at -6.328310 -1.346692 -1.155486 ESP Fit Center 35 is at -3.686088 -0.727200 -2.291997 ESP Fit Center 36 is at -3.793755 -0.325383 -2.291997 ESP Fit Center 37 is at -4.284878 -0.372399 -2.411500 ESP Fit Center 38 is at -5.300721 -1.504803 3.035920 ESP Fit Center 39 is at -4.891031 -1.504803 3.035920 ESP Fit Center 40 is at -5.899511 -1.150002 2.916418 ESP Fit Center 41 is at -5.791844 -1.551819 2.916418 ESP Fit Center 42 is at -5.497693 -1.845970 2.916418 ESP Fit Center 43 is at -4.399907 -1.551819 2.916418 ESP Fit Center 44 is at -6.242708 -0.935621 2.722357 ESP Fit Center 45 is at -6.242708 -1.364382 2.722357 ESP Fit Center 46 is at -6.087822 -1.764189 2.722357 ESP Fit Center 47 is at -5.798968 -2.081046 2.722357 ESP Fit Center 48 is at -3.610952 -1.150002 2.461195 ESP Fit Center 49 is at -6.520650 -0.731650 2.461195 ESP Fit Center 50 is at -6.345074 -1.952812 2.461195 ESP Fit Center 51 is at -6.068294 -2.272232 2.461195 ESP Fit Center 52 is at -3.349790 -1.150002 2.142968 ESP Fit Center 53 is at -6.087766 -2.587002 2.142968 ESP Fit Center 54 is at -3.155729 -1.150002 1.779906 ESP Fit Center 55 is at -6.184661 -2.755840 1.779906 ESP Fit Center 56 is at -6.356599 0.478719 1.385960 ESP Fit Center 57 is at -5.899511 0.790145 0.976270 ESP Fit Center 58 is at -6.262573 0.596085 0.976270 ESP Fit Center 59 is at -6.580800 0.334923 0.976270 ESP Fit Center 60 is at -6.002933 -2.999164 0.566581 ESP Fit Center 61 is at -5.813998 -2.952353 0.172635 ESP Fit Center 62 is at -5.409757 -3.064590 0.172635 ESP Fit Center 63 is at -5.715046 -2.782620 -0.190427 ESP Fit Center 64 is at -5.306343 -2.883357 -0.190427 ESP Fit Center 65 is at -6.068294 -2.272232 -0.508654 ESP Fit Center 66 is at -4.601534 1.187375 0.998835 ESP Fit Center 67 is at -5.000136 1.294180 0.998835 ESP Fit Center 68 is at -5.398738 1.187375 0.998835 ESP Fit Center 69 is at -4.893837 1.644121 0.793959 ESP Fit Center 70 is at -5.315412 1.605057 0.793959 ESP Fit Center 71 is at -5.694406 1.416340 0.793959 ESP Fit Center 72 is at -5.979636 1.103458 0.793959 ESP Fit Center 73 is at -6.132579 0.708667 0.793959 ESP Fit Center 74 is at -4.792845 1.938715 0.519782 ESP Fit Center 75 is at -5.207426 1.938715 0.519782 ESP Fit Center 76 is at -5.605214 1.821914 0.519782 ESP Fit Center 77 is at -5.953982 1.597774 0.519782 ESP Fit Center 78 is at -6.225475 1.284454 0.519782 ESP Fit Center 79 is at -4.893554 2.191037 0.188286 ESP Fit Center 80 is at -5.318199 2.164321 0.188286 ESP Fit Center 81 is at -5.722858 2.032839 0.188286 ESP Fit Center 82 is at -6.082105 1.804853 0.188286 ESP Fit Center 83 is at -5.000136 2.361047 -0.186041 ESP Fit Center 84 is at -5.414930 2.314311 -0.186041 ESP Fit Center 85 is at -5.808926 2.176446 -0.186041 ESP Fit Center 86 is at -6.162365 1.954366 -0.186041 ESP Fit Center 87 is at -4.894605 2.443381 -0.586838 ESP Fit Center 88 is at -5.315491 2.420561 -0.586838 ESP Fit Center 89 is at -5.721632 2.307796 -0.586838 ESP Fit Center 90 is at -6.094037 2.110360 -0.586838 ESP Fit Center 91 is at -4.478653 2.375189 -0.996590 ESP Fit Center 92 is at -4.894605 2.443381 -0.996590 ESP Fit Center 93 is at -5.315491 2.420561 -0.996590 ESP Fit Center 94 is at -5.721632 2.307796 -0.996590 ESP Fit Center 95 is at -6.094037 2.110360 -0.996590 ESP Fit Center 96 is at -4.191346 2.176446 -1.397387 ESP Fit Center 97 is at -4.585341 2.314311 -1.397387 ESP Fit Center 98 is at -5.000136 2.361047 -1.397387 ESP Fit Center 99 is at -5.414930 2.314311 -1.397387 ESP Fit Center 100 is at -5.808926 2.176446 -1.397387 ESP Fit Center 101 is at -3.762777 1.658934 -1.771714 ESP Fit Center 102 is at -4.090618 1.930147 -1.771714 ESP Fit Center 103 is at -4.475607 2.111309 -1.771714 ESP Fit Center 104 is at -4.893554 2.191037 -1.771714 ESP Fit Center 105 is at -5.318199 2.164321 -1.771714 ESP Fit Center 106 is at -5.722858 2.032839 -1.771714 ESP Fit Center 107 is at -3.543572 0.496977 -2.103210 ESP Fit Center 108 is at -3.602573 0.907338 -2.103210 ESP Fit Center 109 is at -3.774796 1.284454 -2.103210 ESP Fit Center 110 is at -4.046289 1.597774 -2.103210 ESP Fit Center 111 is at -4.395057 1.821914 -2.103210 ESP Fit Center 112 is at -4.792845 1.938715 -2.103210 ESP Fit Center 113 is at -5.207426 1.938715 -2.103210 ESP Fit Center 114 is at -5.605214 1.821914 -2.103210 ESP Fit Center 115 is at -3.848077 0.496977 -2.377387 ESP Fit Center 116 is at -3.925873 0.913148 -2.377387 ESP Fit Center 117 is at -4.148754 1.273114 -2.377387 ESP Fit Center 118 is at -4.486619 1.528258 -2.377387 ESP Fit Center 119 is at -4.893837 1.644121 -2.377387 ESP Fit Center 120 is at -5.315412 1.605057 -2.377387 ESP Fit Center 121 is at -5.694406 1.416340 -2.377387 ESP Fit Center 122 is at -5.694406 -0.422386 -2.377387 ESP Fit Center 123 is at -5.315412 -0.611103 -2.377387 ESP Fit Center 124 is at -4.148754 -0.279161 -2.377387 ESP Fit Center 125 is at -3.925873 0.080805 -2.377387 ESP Fit Center 126 is at -4.202932 0.496977 -2.582263 ESP Fit Center 127 is at -4.309737 0.895578 -2.582263 ESP Fit Center 128 is at -4.601534 1.187375 -2.582263 ESP Fit Center 129 is at -5.000136 1.294180 -2.582263 ESP Fit Center 130 is at -5.398738 1.187375 -2.582263 ESP Fit Center 131 is at -5.690534 0.895578 -2.582263 ESP Fit Center 132 is at -5.690534 0.098375 -2.582263 ESP Fit Center 133 is at -5.398738 -0.193422 -2.582263 ESP Fit Center 134 is at -5.000136 -0.300227 -2.582263 ESP Fit Center 135 is at -4.601534 -0.193422 -2.582263 ESP Fit Center 136 is at -4.309737 0.098375 -2.582263 ESP Fit Center 137 is at -4.592629 0.496977 -2.708883 ESP Fit Center 138 is at -4.796382 0.849888 -2.708883 ESP Fit Center 139 is at -5.203889 0.849888 -2.708883 ESP Fit Center 140 is at -5.407643 0.496977 -2.708883 ESP Fit Center 141 is at -5.203889 0.144065 -2.708883 ESP Fit Center 142 is at -4.796382 0.144065 -2.708883 ESP Fit Center 143 is at -5.000136 0.496977 -2.751714 ESP Fit Center 144 is at 1.001659 -0.214981 2.123878 ESP Fit Center 145 is at 1.411348 -0.214981 2.083527 ESP Fit Center 146 is at 1.206503 0.139820 2.083527 ESP Fit Center 147 is at 0.796814 0.139820 2.083527 ESP Fit Center 148 is at 0.591969 -0.214981 2.083527 ESP Fit Center 149 is at 0.796814 -0.569783 2.083527 ESP Fit Center 150 is at 1.206503 -0.569783 2.083527 ESP Fit Center 151 is at 1.697627 0.186836 1.964025 ESP Fit Center 152 is at 0.305690 -0.616799 1.964025 ESP Fit Center 153 is at 0.599841 -0.910950 1.964025 ESP Fit Center 154 is at 2.089572 0.206479 1.769964 ESP Fit Center 155 is at 1.863858 0.571018 1.769964 ESP Fit Center 156 is at 2.250856 0.587829 1.508802 ESP Fit Center 157 is at 0.682377 -1.337141 -1.722209 ESP Fit Center 158 is at 1.109308 -1.376702 -1.722209 ESP Fit Center 159 is at 1.001659 0.588654 -1.916269 ESP Fit Center 160 is at 0.599841 0.480987 -1.916269 ESP Fit Center 161 is at 0.599841 -0.910950 -1.916269 ESP Fit Center 162 is at 1.001659 -1.018616 -1.916269 ESP Fit Center 163 is at 1.403476 -0.910950 -1.916269 ESP Fit Center 164 is at 1.697627 -0.616799 -1.916269 ESP Fit Center 165 is at 1.411348 -0.214981 -2.035771 ESP Fit Center 166 is at 1.206503 0.139820 -2.035771 ESP Fit Center 167 is at 0.796814 0.139820 -2.035771 ESP Fit Center 168 is at 0.591969 -0.214981 -2.035771 ESP Fit Center 169 is at 0.796814 -0.569783 -2.035771 ESP Fit Center 170 is at 1.206503 -0.569783 -2.035771 ESP Fit Center 171 is at 1.001659 -0.214981 -2.076122 ESP Fit Center 172 is at -0.359050 -0.363497 2.053464 ESP Fit Center 173 is at 0.050639 -0.363497 2.013113 ESP Fit Center 174 is at -0.768740 -0.363497 2.013113 ESP Fit Center 175 is at -0.563895 -0.718298 2.013113 ESP Fit Center 176 is at -0.154206 -0.718298 2.013113 ESP Fit Center 177 is at -1.162686 -0.363497 1.893611 ESP Fit Center 178 is at -1.055019 -0.765314 1.893611 ESP Fit Center 179 is at -0.760868 -1.059465 1.893611 ESP Fit Center 180 is at -0.359050 -1.167132 1.893611 ESP Fit Center 181 is at 0.042767 -1.059465 1.893611 ESP Fit Center 182 is at -1.505883 -0.577877 1.699550 ESP Fit Center 183 is at 0.160991 -1.407881 1.699550 ESP Fit Center 184 is at -1.505883 -0.149117 -1.792623 ESP Fit Center 185 is at 0.503149 -1.149496 -1.792623 ESP Fit Center 186 is at 0.336918 0.038321 -1.986683 ESP Fit Center 187 is at 0.042767 0.332472 -1.986683 ESP Fit Center 188 is at -0.760868 0.332472 -1.986683 ESP Fit Center 189 is at -1.055019 0.038321 -1.986683 ESP Fit Center 190 is at -1.162686 -0.363497 -1.986683 ESP Fit Center 191 is at 0.336918 -0.765314 -1.986683 ESP Fit Center 192 is at 0.050639 -0.363497 -2.106185 ESP Fit Center 193 is at -0.154206 -0.008695 -2.106185 ESP Fit Center 194 is at -0.563895 -0.008695 -2.106185 ESP Fit Center 195 is at -0.768740 -0.363497 -2.106185 ESP Fit Center 196 is at -0.154206 -0.718298 -2.106185 ESP Fit Center 197 is at -0.359050 -0.363497 -2.146536 ESP Fit Center 198 is at -0.881727 -1.518330 1.862403 ESP Fit Center 199 is at -0.472038 -1.518330 1.822053 ESP Fit Center 200 is at -1.086572 -1.163528 1.822053 ESP Fit Center 201 is at -1.291417 -1.518330 1.822053 ESP Fit Center 202 is at -1.086572 -1.873131 1.822053 ESP Fit Center 203 is at -0.676883 -1.873131 1.822053 ESP Fit Center 204 is at -0.078092 -1.518330 1.702550 ESP Fit Center 205 is at -1.577696 -1.116512 1.702550 ESP Fit Center 206 is at -1.685363 -1.518330 1.702550 ESP Fit Center 207 is at -1.577696 -1.920147 1.702550 ESP Fit Center 208 is at -1.283545 -2.214298 1.702550 ESP Fit Center 209 is at -0.881727 -2.321965 1.702550 ESP Fit Center 210 is at -0.479910 -2.214298 1.702550 ESP Fit Center 211 is at -0.185759 -1.920147 1.702550 ESP Fit Center 212 is at -1.201009 -2.640489 1.508490 ESP Fit Center 213 is at -0.774078 -2.680050 1.508490 ESP Fit Center 214 is at -0.361686 -2.562715 1.508490 ESP Fit Center 215 is at -0.019528 -2.304329 1.508490 ESP Fit Center 216 is at -1.093054 -2.988140 1.247328 ESP Fit Center 217 is at -0.670401 -2.988140 1.247328 ESP Fit Center 218 is at -0.264868 -2.869064 1.247328 ESP Fit Center 219 is at -1.092195 -3.251685 0.929101 ESP Fit Center 220 is at -0.671260 -3.251685 0.929101 ESP Fit Center 221 is at -0.262557 -3.150949 0.929101 ESP Fit Center 222 is at -1.195608 -3.432918 0.566039 ESP Fit Center 223 is at -0.776690 -3.455631 0.566039 ESP Fit Center 224 is at -0.362683 -3.387758 0.566039 ESP Fit Center 225 is at -0.986047 -3.575335 0.172093 ESP Fit Center 226 is at -0.569839 -3.554228 0.172093 ESP Fit Center 227 is at -0.166400 -3.449770 0.172093 ESP Fit Center 228 is at -0.881727 -3.618330 -0.237597 ESP Fit Center 229 is at -0.472038 -3.577979 -0.237597 ESP Fit Center 230 is at -0.078092 -3.458477 -0.237597 ESP Fit Center 231 is at -0.986047 -3.575335 -0.647286 ESP Fit Center 232 is at -0.569839 -3.554228 -0.647286 ESP Fit Center 233 is at -0.166400 -3.449770 -0.647286 ESP Fit Center 234 is at 0.207753 -3.266239 -0.647286 ESP Fit Center 235 is at -0.776690 -3.455631 -1.041232 ESP Fit Center 236 is at -0.362683 -3.387758 -1.041232 ESP Fit Center 237 is at 0.027054 -3.232473 -1.041232 ESP Fit Center 238 is at 0.374297 -2.997036 -1.041232 ESP Fit Center 239 is at -1.092195 -3.251685 -1.404294 ESP Fit Center 240 is at -0.671260 -3.251685 -1.404294 ESP Fit Center 241 is at -0.262557 -3.150949 -1.404294 ESP Fit Center 242 is at 0.110163 -2.955331 -1.404294 ESP Fit Center 243 is at 0.425237 -2.676199 -1.404294 ESP Fit Center 244 is at 0.664355 -2.329777 -1.404294 ESP Fit Center 245 is at 0.813621 -1.936196 -1.404294 ESP Fit Center 246 is at 0.603197 -1.518330 -1.722521 ESP Fit Center 247 is at -1.093054 -2.988140 -1.722521 ESP Fit Center 248 is at -0.670401 -2.988140 -1.722521 ESP Fit Center 249 is at -0.264868 -2.869064 -1.722521 ESP Fit Center 250 is at 0.090691 -2.640561 -1.722521 ESP Fit Center 251 is at 0.367470 -2.321140 -1.722521 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is at -1.534201 0.930694 2.878574 ESP Fit Center 825 is at -1.159704 0.732149 2.878574 ESP Fit Center 826 is at -0.751282 0.618751 2.878574 ESP Fit Center 827 is at -0.328031 0.595803 2.878574 ESP Fit Center 828 is at 0.090257 0.664378 2.878574 ESP Fit Center 829 is at 0.484025 0.821269 2.878574 ESP Fit Center 830 is at 0.834859 1.059141 2.878574 ESP Fit Center 831 is at 1.126356 1.366871 2.878574 ESP Fit Center 832 is at 1.344885 1.730069 2.878574 ESP Fit Center 833 is at 1.480228 2.131753 2.878574 ESP Fit Center 834 is at 1.842729 2.553140 2.600861 ESP Fit Center 835 is at 1.803961 2.971516 2.600861 ESP Fit Center 836 is at 1.688976 3.375645 2.600861 ESP Fit Center 837 is at 1.501691 3.751765 2.600861 ESP Fit Center 838 is at 1.248482 4.087067 2.600861 ESP Fit Center 839 is at 0.937974 4.370133 2.600861 ESP Fit Center 840 is at 0.580739 4.591323 2.600861 ESP Fit Center 841 is at 0.188944 4.743105 2.600861 ESP Fit Center 842 is at -0.224071 4.820311 2.600861 ESP Fit Center 843 is at 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is at 0.963078 0.414517 2.284189 ESP Fit Center 901 is at 1.296027 0.673662 2.284189 ESP Fit Center 902 is at 1.581782 0.984074 2.284189 ESP Fit Center 903 is at 1.812547 1.337286 2.284189 ESP Fit Center 904 is at 1.982028 1.723664 2.284189 ESP Fit Center 905 is at 2.085601 2.132667 2.284189 ESP Fit Center 906 is at 2.354447 2.553140 1.933977 ESP Fit Center 907 is at 2.323300 2.968760 1.933977 ESP Fit Center 908 is at 2.230557 3.375095 1.933977 ESP Fit Center 909 is at 2.078288 3.763069 1.933977 ESP Fit Center 910 is at 1.869896 4.124015 1.933977 ESP Fit Center 911 is at 1.610035 4.449871 1.933977 ESP Fit Center 912 is at 1.304510 4.733357 1.933977 ESP Fit Center 913 is at 0.960146 4.968140 1.933977 ESP Fit Center 914 is at 0.584636 5.148976 1.933977 ESP Fit Center 915 is at 0.186367 5.271826 1.933977 ESP Fit Center 916 is at -0.225763 5.333944 1.933977 ESP Fit Center 917 is at -0.642547 5.333944 1.933977 ESP Fit Center 918 is at -1.054677 5.271826 1.933977 ESP Fit Center 919 is at 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Center 1014 is at -3.517827 3.379408 0.744271 ESP Fit Center 1015 is at -3.599296 2.969839 0.744271 ESP Fit Center 1016 is at 2.649517 1.726873 0.744271 ESP Fit Center 1017 is at 2.730986 2.136441 0.744271 ESP Fit Center 1018 is at 2.785845 2.553140 0.323977 ESP Fit Center 1019 is at 2.759409 2.964905 0.323977 ESP Fit Center 1020 is at 2.680534 3.369908 0.323977 ESP Fit Center 1021 is at 2.550517 3.761500 0.323977 ESP Fit Center 1022 is at 2.371491 4.133251 0.323977 ESP Fit Center 1023 is at 2.146397 4.479056 0.323977 ESP Fit Center 1024 is at 1.878930 4.793238 0.323977 ESP Fit Center 1025 is at 1.573482 5.070638 0.323977 ESP Fit Center 1026 is at 1.235069 5.306700 0.323977 ESP Fit Center 1027 is at 0.869247 5.497549 0.323977 ESP Fit Center 1028 is at 0.482024 5.640051 0.323977 ESP Fit Center 1029 is at 0.079757 5.731865 0.323977 ESP Fit Center 1030 is at -0.330949 5.771486 0.323977 ESP Fit Center 1031 is at -0.743349 5.758261 0.323977 ESP Fit Center 1032 is at -1.150672 5.692408 0.323977 ESP Fit Center 1033 is at -1.546230 5.575008 0.323977 ESP Fit Center 1034 is at -1.923528 5.407990 0.323977 ESP Fit Center 1035 is at -2.276371 5.194095 0.323977 ESP Fit Center 1036 is at -2.598964 4.936835 0.323977 ESP Fit Center 1037 is at -2.886011 4.640436 0.323977 ESP Fit Center 1038 is at -3.132799 4.309763 0.323977 ESP Fit Center 1039 is at -3.335275 3.950246 0.323977 ESP Fit Center 1040 is at -3.490115 3.567789 0.323977 ESP Fit Center 1041 is at -3.594775 3.168671 0.323977 ESP Fit Center 1042 is at 2.759409 2.141376 0.323977 ESP Fit Center 1043 is at 2.758297 2.553140 -0.096318 ESP Fit Center 1044 is at 2.730986 2.969839 -0.096318 ESP Fit Center 1045 is at 2.649517 3.379408 -0.096318 ESP Fit Center 1046 is at 2.515286 3.774839 -0.096318 ESP Fit Center 1047 is at 2.330590 4.149366 -0.096318 ESP Fit Center 1048 is at 2.098588 4.496582 -0.096318 ESP Fit Center 1049 is at 1.823250 4.810545 -0.096318 ESP Fit Center 1050 is at 1.509287 5.085883 -0.096318 ESP Fit Center 1051 is at 1.162071 5.317885 -0.096318 ESP Fit Center 1052 is at 0.787544 5.502582 -0.096318 ESP Fit Center 1053 is at 0.392112 5.636812 -0.096318 ESP Fit Center 1054 is at -0.017456 5.718281 -0.096318 ESP Fit Center 1055 is at -0.434155 5.745593 -0.096318 ESP Fit Center 1056 is at -0.850854 5.718281 -0.096318 ESP Fit Center 1057 is at -1.260423 5.636812 -0.096318 ESP Fit Center 1058 is at -1.655854 5.502582 -0.096318 ESP Fit Center 1059 is at -2.030381 5.317885 -0.096318 ESP Fit Center 1060 is at -2.377597 5.085883 -0.096318 ESP Fit Center 1061 is at -2.691560 4.810545 -0.096318 ESP Fit Center 1062 is at -2.966898 4.496582 -0.096318 ESP Fit Center 1063 is at -3.198900 4.149366 -0.096318 ESP Fit Center 1064 is at -3.383596 3.774839 -0.096318 ESP Fit Center 1065 is at -3.517827 3.379408 -0.096318 ESP Fit Center 1066 is at 2.730986 2.136441 -0.096318 ESP Fit Center 1067 is at 2.676126 2.553140 -0.509421 ESP Fit Center 1068 is at 2.648375 2.967700 -0.509421 ESP Fit Center 1069 is at 2.565615 3.374862 -0.509421 ESP Fit Center 1070 is at 2.429325 3.767361 -0.509421 ESP Fit Center 1071 is at 2.241936 4.138191 -0.509421 ESP Fit Center 1072 is at 2.006792 4.480737 -0.509421 ESP Fit Center 1073 is at 1.728089 4.788884 -0.509421 ESP Fit Center 1074 is at 1.410801 5.057134 -0.509421 ESP Fit Center 1075 is at 1.060589 5.280701 -0.509421 ESP Fit Center 1076 is at 0.683704 5.455594 -0.509421 ESP Fit Center 1077 is at 0.286871 5.578693 -0.509421 ESP Fit Center 1078 is at -0.122829 5.647801 -0.509421 ESP Fit Center 1079 is at -0.538085 5.661684 -0.509421 ESP Fit Center 1080 is at -0.951486 5.620096 -0.509421 ESP Fit Center 1081 is at -1.355655 5.523777 -0.509421 ESP Fit Center 1082 is at -1.743380 5.374448 -0.509421 ESP Fit Center 1083 is at -2.107742 5.174772 -0.509421 ESP Fit Center 1084 is at -2.442239 4.928313 -0.509421 ESP Fit Center 1085 is at -2.740902 4.639469 -0.509421 ESP Fit Center 1086 is at -2.998400 4.313395 -0.509421 ESP Fit Center 1087 is at -3.210140 3.955908 -0.509421 ESP Fit Center 1088 is at -3.372341 3.573390 -0.509421 ESP Fit Center 1089 is at -3.482111 3.172665 -0.509421 ESP Fit Center 1090 is at 2.540737 2.553140 -0.908264 ESP Fit Center 1091 is at 2.511786 2.967165 -0.908264 ESP Fit Center 1092 is at 2.425495 3.373132 -0.908264 ESP Fit Center 1093 is at 2.283544 3.763138 -0.908264 ESP Fit Center 1094 is at 2.088697 4.129593 -0.908264 ESP Fit Center 1095 is at 1.844745 4.465364 -0.908264 ESP Fit Center 1096 is at 1.556436 4.763916 -0.908264 ESP Fit Center 1097 is at 1.229384 5.019437 -0.908264 ESP Fit Center 1098 is at 0.869952 5.226955 -0.908264 ESP Fit Center 1099 is at 0.485137 5.382431 -0.908264 ESP Fit Center 1100 is at 0.082430 5.482837 -0.908264 ESP Fit Center 1101 is at -0.330333 5.526220 -0.908264 ESP Fit Center 1102 is at -0.745116 5.511735 -0.908264 ESP Fit Center 1103 is at -1.153847 5.439665 -0.908264 ESP Fit Center 1104 is at -1.548569 5.311412 -0.908264 ESP Fit Center 1105 is at -1.921601 5.129472 -0.908264 ESP Fit Center 1106 is at -2.265681 4.897387 -0.908264 ESP Fit Center 1107 is at -2.574113 4.619674 -0.908264 ESP Fit Center 1108 is at -2.840893 4.301738 -0.908264 ESP Fit Center 1109 is at -3.060829 3.949767 -0.908264 ESP Fit Center 1110 is at -3.229639 3.570613 -0.908264 ESP Fit Center 1111 is at -3.344039 3.171655 -0.908264 ESP Fit Center 1112 is at 2.354447 2.553140 -1.286023 ESP Fit Center 1113 is at 2.323300 2.968760 -1.286023 ESP Fit Center 1114 is at 2.230557 3.375095 -1.286023 ESP Fit Center 1115 is at 2.078288 3.763069 -1.286023 ESP Fit Center 1116 is at 1.869896 4.124015 -1.286023 ESP Fit Center 1117 is at 1.610035 4.449871 -1.286023 ESP Fit Center 1118 is at 1.304510 4.733357 -1.286023 ESP Fit Center 1119 is at 0.960146 4.968140 -1.286023 ESP Fit Center 1120 is at 0.584636 5.148976 -1.286023 ESP Fit Center 1121 is at 0.186367 5.271826 -1.286023 ESP Fit Center 1122 is at -0.225763 5.333944 -1.286023 ESP Fit Center 1123 is at -0.642547 5.333944 -1.286023 ESP Fit Center 1124 is at -1.054677 5.271826 -1.286023 ESP Fit Center 1125 is at -1.452946 5.148976 -1.286023 ESP Fit Center 1126 is at -1.828456 4.968140 -1.286023 ESP Fit Center 1127 is at -2.172820 4.733357 -1.286023 ESP Fit Center 1128 is at -2.478345 4.449871 -1.286023 ESP Fit Center 1129 is at -2.738206 4.124015 -1.286023 ESP Fit Center 1130 is at -2.946598 3.763069 -1.286023 ESP Fit Center 1131 is at -3.098867 3.375095 -1.286023 ESP Fit Center 1132 is at -3.191610 2.968760 -1.286023 ESP Fit Center 1133 is at 2.120443 2.553140 -1.636235 ESP Fit Center 1134 is at 2.085601 2.973613 -1.636235 ESP Fit Center 1135 is at 1.982028 3.382617 -1.636235 ESP Fit Center 1136 is at 1.812547 3.768994 -1.636235 ESP Fit Center 1137 is at 1.581782 4.122207 -1.636235 ESP Fit Center 1138 is at 1.296027 4.432619 -1.636235 ESP Fit Center 1139 is at 0.963078 4.691764 -1.636235 ESP Fit Center 1140 is at 0.592015 4.892573 -1.636235 ESP Fit Center 1141 is at 0.192962 5.029568 -1.636235 ESP Fit Center 1142 is at -0.223198 5.099013 -1.636235 ESP Fit Center 1143 is at -0.645112 5.099013 -1.636235 ESP Fit Center 1144 is at -1.061272 5.029568 -1.636235 ESP Fit Center 1145 is at -1.460325 4.892573 -1.636235 ESP Fit Center 1146 is at -1.831388 4.691764 -1.636235 ESP Fit Center 1147 is at -2.164337 4.432619 -1.636235 ESP Fit Center 1148 is at -2.450092 4.122207 -1.636235 ESP Fit Center 1149 is at -2.680857 3.768994 -1.636235 ESP Fit Center 1150 is at -2.850338 3.382617 -1.636235 ESP Fit Center 1151 is at -2.953911 2.973613 -1.636235 ESP Fit Center 1152 is at -2.988753 2.553140 -1.636235 ESP Fit Center 1153 is at -2.953911 2.132667 -1.636235 ESP Fit Center 1154 is at 1.842729 2.553140 -1.952907 ESP Fit Center 1155 is at 1.803961 2.971516 -1.952907 ESP Fit Center 1156 is at 1.688976 3.375645 -1.952907 ESP Fit Center 1157 is at 1.501691 3.751765 -1.952907 ESP Fit Center 1158 is at 1.248482 4.087067 -1.952907 ESP Fit Center 1159 is at 0.937974 4.370133 -1.952907 ESP Fit Center 1160 is at 0.580739 4.591323 -1.952907 ESP Fit Center 1161 is at 0.188944 4.743105 -1.952907 ESP Fit Center 1162 is at -0.224071 4.820311 -1.952907 ESP Fit Center 1163 is at -0.644239 4.820311 -1.952907 ESP Fit Center 1164 is at -1.057254 4.743105 -1.952907 ESP Fit Center 1165 is at -1.449049 4.591323 -1.952907 ESP Fit Center 1166 is at -1.806284 4.370133 -1.952907 ESP Fit Center 1167 is at -2.116792 4.087067 -1.952907 ESP Fit Center 1168 is at -2.370001 3.751765 -1.952907 ESP Fit Center 1169 is at -2.557286 3.375645 -1.952907 ESP Fit Center 1170 is at -2.672271 2.971516 -1.952907 ESP Fit Center 1171 is at -2.711039 2.553140 -1.952907 ESP Fit Center 1172 is at -2.672271 2.134764 -1.952907 ESP Fit Center 1173 is at -2.557286 1.730635 -1.952907 ESP Fit Center 1174 is at 0.188944 0.363175 -1.952907 ESP Fit Center 1175 is at 0.580739 0.514957 -1.952907 ESP Fit Center 1176 is at 0.937974 0.736148 -1.952907 ESP Fit Center 1177 is at 1.248482 1.019213 -1.952907 ESP Fit Center 1178 is at 1.803961 2.134764 -1.952907 ESP Fit Center 1179 is at 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1.205104 -2.230621 ESP Fit Center 1198 is at -1.534201 0.930694 -2.230621 ESP Fit Center 1199 is at -1.159704 0.732149 -2.230621 ESP Fit Center 1200 is at -0.751282 0.618751 -2.230621 ESP Fit Center 1201 is at -0.328031 0.595803 -2.230621 ESP Fit Center 1202 is at 0.090257 0.664378 -2.230621 ESP Fit Center 1203 is at 0.484025 0.821269 -2.230621 ESP Fit Center 1204 is at 0.834859 1.059141 -2.230621 ESP Fit Center 1205 is at 1.126356 1.366871 -2.230621 ESP Fit Center 1206 is at 1.344885 1.730069 -2.230621 ESP Fit Center 1207 is at 1.480228 2.131753 -2.230621 ESP Fit Center 1208 is at 1.175845 2.553140 -2.464625 ESP Fit Center 1209 is at 1.120986 2.969839 -2.464625 ESP Fit Center 1210 is at 0.960146 3.358140 -2.464625 ESP Fit Center 1211 is at 0.704287 3.691582 -2.464625 ESP Fit Center 1212 is at 0.370845 3.947441 -2.464625 ESP Fit Center 1213 is at -0.017456 4.108281 -2.464625 ESP Fit Center 1214 is at -0.434155 4.163140 -2.464625 ESP Fit Center 1215 is at -0.850854 4.108281 -2.464625 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2.912309 ESP Fit Center 1289 is at -3.826370 0.047912 2.912309 ESP Fit Center 1290 is at -4.056193 0.419088 2.912309 ESP Fit Center 1291 is at -4.404581 0.682178 2.912309 ESP Fit Center 1292 is at -4.824482 0.801650 2.912309 ESP Fit Center 1293 is at -5.259186 0.761369 2.912309 ESP Fit Center 1294 is at -5.649984 0.566774 2.912309 ESP Fit Center 1295 is at -5.944097 0.244148 2.912309 ESP Fit Center 1296 is at -6.101803 -0.162938 2.912309 ESP Fit Center 1297 is at -6.101803 -0.599505 2.912309 ESP Fit Center 1298 is at -5.944097 -1.006591 2.912309 ESP Fit Center 1299 is at -4.056193 -1.181531 2.912309 ESP Fit Center 1300 is at -3.826370 -0.810355 2.912309 ESP Fit Center 1301 is at -3.479168 -0.381222 2.564369 ESP Fit Center 1302 is at -3.543806 0.047624 2.564369 ESP Fit Center 1303 is at -3.731977 0.438365 2.564369 ESP Fit Center 1304 is at -4.026962 0.756283 2.564369 ESP Fit Center 1305 is at -4.402548 0.973128 2.564369 ESP Fit Center 1306 is at -4.825364 1.069633 2.564369 ESP Fit Center 1307 is at -5.257842 1.037223 2.564369 ESP Fit Center 1308 is at -5.661552 0.878778 2.564369 ESP Fit Center 1309 is at -6.000625 0.608377 2.564369 ESP Fit Center 1310 is at -6.244931 0.250046 2.564369 ESP Fit Center 1311 is at -6.372763 -0.164377 2.564369 ESP Fit Center 1312 is at -6.372763 -0.598067 2.564369 ESP Fit Center 1313 is at -3.543806 -0.810068 2.564369 ESP Fit Center 1314 is at -3.311336 -0.381222 2.159185 ESP Fit Center 1315 is at -3.366630 0.038778 2.159185 ESP Fit Center 1316 is at -3.528744 0.430156 2.159185 ESP Fit Center 1317 is at -3.786630 0.766240 2.159185 ESP Fit Center 1318 is at -4.122713 1.024126 2.159185 ESP Fit Center 1319 is at -4.514091 1.186240 2.159185 ESP Fit Center 1320 is at -4.934091 1.241534 2.159185 ESP Fit Center 1321 is at -5.354091 1.186240 2.159185 ESP Fit Center 1322 is at -5.745469 1.024126 2.159185 ESP Fit Center 1323 is at -6.081552 0.766240 2.159185 ESP Fit Center 1324 is at -6.339438 0.430156 2.159185 ESP Fit Center 1325 is at 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ESP Fit Center 1344 is at -6.261511 1.563808 0.273197 ESP Fit Center 1345 is at -6.652310 1.369214 0.273197 ESP Fit Center 1346 is at -6.946423 1.046587 0.273197 ESP Fit Center 1347 is at -7.104129 0.639501 0.273197 ESP Fit Center 1348 is at -7.104129 0.202935 0.273197 ESP Fit Center 1349 is at -6.260167 1.839663 -0.074742 ESP Fit Center 1350 is at -6.663877 1.681218 -0.074742 ESP Fit Center 1351 is at -7.002950 1.410817 -0.074742 ESP Fit Center 1352 is at -7.247256 1.052485 -0.074742 ESP Fit Center 1353 is at -7.375088 0.638063 -0.074742 ESP Fit Center 1354 is at -7.375088 0.204373 -0.074742 ESP Fit Center 1355 is at -7.247256 -0.210049 -0.074742 ESP Fit Center 1356 is at -6.356416 1.988679 -0.479926 ESP Fit Center 1357 is at -6.747794 1.826565 -0.479926 ESP Fit Center 1358 is at -7.083877 1.568679 -0.479926 ESP Fit Center 1359 is at -7.341763 1.232596 -0.479926 ESP Fit Center 1360 is at -7.503877 0.841218 -0.479926 ESP Fit Center 1361 is at -7.559171 0.421218 -0.479926 ESP Fit Center 1362 is at -7.503877 0.001218 -0.479926 ESP Fit Center 1363 is at -7.341763 -0.390160 -0.479926 ESP Fit Center 1364 is at -7.083877 -0.726243 -0.479926 ESP Fit Center 1365 is at -6.251217 2.071460 -0.914742 ESP Fit Center 1366 is at -6.651725 1.941327 -0.914742 ESP Fit Center 1367 is at -7.007288 1.715680 -0.914742 ESP Fit Center 1368 is at -7.295565 1.408697 -0.914742 ESP Fit Center 1369 is at -7.498441 1.039667 -0.914742 ESP Fit Center 1370 is at -7.603169 0.631778 -0.914742 ESP Fit Center 1371 is at -7.603169 0.210658 -0.914742 ESP Fit Center 1372 is at -7.498441 -0.197231 -0.914742 ESP Fit Center 1373 is at -7.295565 -0.566261 -0.914742 ESP Fit Center 1374 is at -7.007288 -0.873244 -0.914742 ESP Fit Center 1375 is at -6.651725 -1.098892 -0.914742 ESP Fit Center 1376 is at -6.356416 1.988679 -1.349558 ESP Fit Center 1377 is at -6.747794 1.826565 -1.349558 ESP Fit Center 1378 is at -7.083877 1.568679 -1.349558 ESP Fit Center 1379 is at -7.341763 1.232596 -1.349558 ESP Fit Center 1380 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ESP Fit Center 1435 is at 2.428786 -2.715214 2.319982 ESP Fit Center 1436 is at 1.044117 -1.397249 2.115107 ESP Fit Center 1437 is at 0.758887 -1.710131 2.115107 ESP Fit Center 1438 is at 0.605944 -2.104921 2.115107 ESP Fit Center 1439 is at 0.605944 -2.528302 2.115107 ESP Fit Center 1440 is at 0.758887 -2.923093 2.115107 ESP Fit Center 1441 is at 1.044117 -3.235975 2.115107 ESP Fit Center 1442 is at 1.423112 -3.424692 2.115107 ESP Fit Center 1443 is at 1.844686 -3.463756 2.115107 ESP Fit Center 1444 is at 2.251905 -3.347893 2.115107 ESP Fit Center 1445 is at 2.589770 -3.092749 2.115107 ESP Fit Center 1446 is at 0.513048 -1.529134 1.840929 ESP Fit Center 1447 is at 0.340825 -1.906250 1.840929 ESP Fit Center 1448 is at 0.281824 -2.316612 1.840929 ESP Fit Center 1449 is at 0.340825 -2.726973 1.840929 ESP Fit Center 1450 is at 0.513048 -3.104090 1.840929 ESP Fit Center 1451 is at 0.784541 -3.417409 1.840929 ESP Fit Center 1452 is at 1.133309 -3.641549 1.840929 ESP Fit Center 1453 is at 1.531097 -3.758350 1.840929 ESP Fit Center 1454 is at 1.945678 -3.758350 1.840929 ESP Fit Center 1455 is at 2.343466 -3.641549 1.840929 ESP Fit Center 1456 is at 2.692234 -3.417409 1.840929 ESP Fit Center 1457 is at 0.054362 -2.529354 1.509433 ESP Fit Center 1458 is at 0.160176 -2.941470 1.509433 ESP Fit Center 1459 is at 0.365154 -3.314324 1.509433 ESP Fit Center 1460 is at 0.656418 -3.624488 1.509433 ESP Fit Center 1461 is at 1.015666 -3.852474 1.509433 ESP Fit Center 1462 is at 1.420325 -3.983956 1.509433 ESP Fit Center 1463 is at 1.844969 -4.010672 1.509433 ESP Fit Center 1464 is at 2.262916 -3.930944 1.509433 ESP Fit Center 1465 is at 2.647905 -3.749782 1.509433 ESP Fit Center 1466 is at 2.975746 -3.478569 1.509433 ESP Fit Center 1467 is at 0.058918 -3.125402 1.135107 ESP Fit Center 1468 is at 0.280998 -3.478841 1.135107 ESP Fit Center 1469 is at 0.576158 -3.774001 1.135107 ESP Fit Center 1470 is at 0.929598 -3.996081 1.135107 ESP Fit Center 1471 is at 1.323593 -4.133946 1.135107 ESP Fit Center 1472 is at 1.738388 -4.180682 1.135107 ESP Fit Center 1473 is at 2.153182 -4.133946 1.135107 ESP Fit Center 1474 is at 2.547178 -3.996081 1.135107 ESP Fit Center 1475 is at 2.900617 -3.774001 1.135107 ESP Fit Center 1476 is at 0.068148 -3.321562 0.734309 ESP Fit Center 1477 is at 0.323231 -3.657119 0.734309 ESP Fit Center 1478 is at 0.644486 -3.929995 0.734309 ESP Fit Center 1479 is at 1.016891 -4.127432 0.734309 ESP Fit Center 1480 is at 1.423032 -4.240196 0.734309 ESP Fit Center 1481 is at 1.843919 -4.263016 0.734309 ESP Fit Center 1482 is at 2.259871 -4.194824 0.734309 ESP Fit Center 1483 is at 2.651439 -4.038809 0.734309 ESP Fit Center 1484 is at 3.000314 -3.802266 0.734309 ESP Fit Center 1485 is at 0.068148 -3.321562 0.324558 ESP Fit Center 1486 is at 0.323231 -3.657119 0.324558 ESP Fit Center 1487 is at 0.644486 -3.929995 0.324558 ESP Fit Center 1488 is at 1.016891 -4.127432 0.324558 ESP Fit Center 1489 is at 1.423032 -4.240196 0.324558 ESP Fit Center 1490 is at 1.843919 -4.263016 0.324558 ESP Fit Center 1491 is at 2.259871 -4.194824 0.324558 ESP Fit Center 1492 is at 2.651439 -4.038809 0.324558 ESP Fit Center 1493 is at 3.000314 -3.802266 0.324558 ESP Fit Center 1494 is at 3.290182 -3.496255 0.324558 ESP Fit Center 1495 is at 0.280998 -3.478841 -0.076240 ESP Fit Center 1496 is at 0.576158 -3.774001 -0.076240 ESP Fit Center 1497 is at 0.929598 -3.996081 -0.076240 ESP Fit Center 1498 is at 1.323593 -4.133946 -0.076240 ESP Fit Center 1499 is at 1.738388 -4.180682 -0.076240 ESP Fit Center 1500 is at 2.153182 -4.133946 -0.076240 ESP Fit Center 1501 is at 2.547178 -3.996081 -0.076240 ESP Fit Center 1502 is at 2.900617 -3.774001 -0.076240 ESP Fit Center 1503 is at 3.195777 -3.478841 -0.076240 ESP Fit Center 1504 is at 3.417857 -3.125402 -0.076240 ESP Fit Center 1505 is at 0.365154 -3.314324 -0.450567 ESP Fit Center 1506 is at 0.656418 -3.624488 -0.450567 ESP Fit Center 1507 is at 1.015666 -3.852474 -0.450567 ESP Fit Center 1508 is at 1.420325 -3.983956 -0.450567 ESP Fit Center 1509 is at 1.844969 -4.010672 -0.450567 ESP Fit Center 1510 is at 2.262916 -3.930944 -0.450567 ESP Fit Center 1511 is at 2.647905 -3.749782 -0.450567 ESP Fit Center 1512 is at 2.975746 -3.478569 -0.450567 ESP Fit Center 1513 is at 3.225839 -3.134345 -0.450567 ESP Fit Center 1514 is at 0.513048 -3.104090 -0.782063 ESP Fit Center 1515 is at 0.784541 -3.417409 -0.782063 ESP Fit Center 1516 is at 1.133309 -3.641549 -0.782063 ESP Fit Center 1517 is at 1.531097 -3.758350 -0.782063 ESP Fit Center 1518 is at 1.945678 -3.758350 -0.782063 ESP Fit Center 1519 is at 2.343466 -3.641549 -0.782063 ESP Fit Center 1520 is at 2.692234 -3.417409 -0.782063 ESP Fit Center 1521 is at 2.963727 -3.104090 -0.782063 ESP Fit Center 1522 is at 3.135950 -2.726973 -0.782063 ESP Fit Center 1523 is at 0.758887 -2.923093 -1.056240 ESP Fit Center 1524 is at 1.044117 -3.235975 -1.056240 ESP Fit Center 1525 is at 1.423112 -3.424692 -1.056240 ESP Fit Center 1526 is at 1.844686 -3.463756 -1.056240 ESP Fit Center 1527 is at 2.251905 -3.347893 -1.056240 ESP Fit Center 1528 is at 2.589770 -3.092749 -1.056240 ESP Fit Center 1529 is at 2.812651 -2.732783 -1.056240 ESP Fit Center 1530 is at 0.941184 -2.316612 -1.261116 ESP Fit Center 1531 is at 1.047989 -2.715214 -1.261116 ESP Fit Center 1532 is at 1.339786 -3.007010 -1.261116 ESP Fit Center 1533 is at 1.738388 -3.113816 -1.261116 ESP Fit Center 1534 is at 2.136989 -3.007010 -1.261116 ESP Fit Center 1535 is at 2.428786 -2.715214 -1.261116 ESP Fit Center 1536 is at 1.534634 -2.669523 -1.387736 ESP Fit Center 1537 is at 1.942141 -2.669523 -1.387736 ESP Fit Center 1538 is at 3.172679 -0.354483 2.058517 ESP Fit Center 1539 is at 2.967834 -0.709285 2.058517 ESP Fit Center 1540 is at 3.377524 0.094350 1.939015 ESP Fit Center 1541 is at 2.975706 -0.013316 1.939015 ESP Fit Center 1542 is at 3.485173 0.452436 1.744954 ESP Fit Center 1543 is at 3.058242 0.412875 1.744954 ESP Fit Center 1544 is at 2.674432 0.221760 1.744954 ESP Fit Center 1545 is at 3.994384 0.641450 1.483792 ESP Fit Center 1546 is at 3.588851 0.760525 1.483792 ESP Fit Center 1547 is at 3.166197 0.760525 1.483792 ESP Fit Center 1548 is at 2.760664 0.641450 1.483792 ESP Fit Center 1549 is at 2.405105 0.412946 1.483792 ESP Fit Center 1550 is at 4.369414 0.727716 1.165565 ESP Fit Center 1551 is at 3.996695 0.923334 1.165565 ESP Fit Center 1552 is at 3.587991 1.024070 1.165565 ESP Fit Center 1553 is at 3.167056 1.024070 1.165565 ESP Fit Center 1554 is at 2.758353 0.923334 1.165565 ESP Fit Center 1555 is at 3.482561 -2.646587 -0.804767 ESP Fit Center 1556 is at 3.167056 -2.442640 -1.167830 ESP Fit Center 1557 is at 3.587991 -2.442640 -1.167830 ESP Fit Center 1558 is at 3.996695 -2.341904 -1.167830 ESP Fit Center 1559 is at 3.166197 -2.179095 -1.486056 ESP Fit Center 1560 is at 3.588851 -2.179095 -1.486056 ESP Fit Center 1561 is at 3.994384 -2.060020 -1.486056 ESP Fit Center 1562 is at 4.349942 -1.831516 -1.486056 ESP Fit Center 1563 is at 4.626722 -1.512096 -1.486056 ESP Fit Center 1564 is at 2.674432 -1.640330 -1.747218 ESP Fit Center 1565 is at 3.058242 -1.831445 -1.747218 ESP Fit Center 1566 is at 3.485173 -1.871006 -1.747218 ESP Fit Center 1567 is at 3.897566 -1.753670 -1.747218 ESP Fit Center 1568 is at 4.239724 -1.495284 -1.747218 ESP Fit Center 1569 is at 2.975706 -1.405253 -1.941279 ESP Fit Center 1570 is at 3.377524 -1.512920 -1.941279 ESP Fit Center 1571 is at 4.394003 -1.388470 2.762468 ESP Fit Center 1572 is at 4.803693 -1.388470 2.722117 ESP Fit Center 1573 is at 4.598848 -1.033669 2.722117 ESP Fit Center 1574 is at 4.189159 -1.033669 2.722117 ESP Fit Center 1575 is at 5.197639 -1.388470 2.602615 ESP Fit Center 1576 is at 5.089972 -0.986653 2.602615 ESP Fit Center 1577 is at 4.795821 -0.692502 2.602615 ESP Fit Center 1578 is at 4.394003 -0.584835 2.602615 ESP Fit Center 1579 is at 3.992186 -0.692502 2.602615 ESP Fit Center 1580 is at 3.698035 -0.986653 2.602615 ESP Fit Center 1581 is at 4.914045 -0.344086 2.408554 ESP Fit Center 1582 is at 4.501653 -0.226750 2.408554 ESP Fit Center 1583 is at 4.074722 -0.266311 2.408554 ESP Fit Center 1584 is at 3.690911 -0.457426 2.408554 ESP Fit Center 1585 is at 3.402057 -0.774283 2.408554 ESP Fit Center 1586 is at 3.247171 -1.174090 2.408554 ESP Fit Center 1587 is at 4.605330 0.081339 2.147393 ESP Fit Center 1588 is at 4.182677 0.081339 2.147393 ESP Fit Center 1589 is at 3.777144 -0.037736 2.147393 ESP Fit Center 1590 is at 3.421585 -0.266240 2.147393 ESP Fit Center 1591 is at 3.144806 -0.585660 2.147393 ESP Fit Center 1592 is at 2.969229 -0.970119 2.147393 ESP Fit Center 1593 is at 2.909079 -1.388470 2.147393 ESP Fit Center 1594 is at 4.604471 0.344885 1.829166 ESP Fit Center 1595 is at 4.183536 0.344885 1.829166 ESP Fit Center 1596 is at 3.774833 0.244148 1.829166 ESP Fit Center 1597 is at 4.499041 0.548831 1.466103 ESP Fit Center 1598 is at 5.560701 -3.134557 0.662468 ESP Fit Center 1599 is at 4.705892 -3.424368 0.252779 ESP Fit Center 1600 is at 5.109330 -3.319911 0.252779 ESP Fit Center 1601 is at 5.483484 -3.136380 0.252779 ESP Fit Center 1602 is at 3.675881 -3.190822 -0.141167 ESP Fit Center 1603 is at 4.080123 -3.303059 -0.141167 ESP Fit Center 1604 is at 4.499041 -3.325772 -0.141167 ESP Fit Center 1605 is at 4.913048 -3.257899 -0.141167 ESP Fit Center 1606 is at 5.302785 -3.102614 -0.141167 ESP Fit Center 1607 is at 3.402113 -2.825471 -0.504229 ESP Fit Center 1608 is at 3.774833 -3.021089 -0.504229 ESP Fit Center 1609 is at 4.183536 -3.121826 -0.504229 ESP Fit Center 1610 is at 4.604471 -3.121826 -0.504229 ESP Fit Center 1611 is at 5.013174 -3.021089 -0.504229 ESP Fit Center 1612 is at 5.385893 -2.825471 -0.504229 ESP Fit Center 1613 is at 3.777144 -2.739205 -0.822456 ESP Fit Center 1614 is at 4.182677 -2.858280 -0.822456 ESP Fit Center 1615 is at 4.605330 -2.858280 -0.822456 ESP Fit Center 1616 is at 5.010863 -2.739205 -0.822456 ESP Fit Center 1617 is at 4.074722 -2.510630 -1.083618 ESP Fit Center 1618 is at 4.501653 -2.550191 -1.083618 ESP Fit Center 1619 is at 4.914045 -2.432855 -1.083618 ESP Fit Center 1620 is at 4.394003 -2.192106 -1.277679 ESP Fit Center 1621 is at 4.795821 -2.084439 -1.277679 ESP Fit Center 1622 is at 4.803693 -1.388470 -1.397181 ESP Fit Center 1623 is at 4.598848 -1.743272 -1.397181 ESP Fit Center 1624 is at 5.709710 -0.992725 2.611602 ESP Fit Center 1625 is at 5.914555 -0.637924 2.571252 ESP Fit Center 1626 is at 5.504865 -0.637924 2.571252 ESP Fit Center 1627 is at 5.300020 -0.992725 2.571252 ESP Fit Center 1628 is at 5.504865 -1.347527 2.571252 ESP Fit Center 1629 is at 6.405678 -0.590908 2.451749 ESP Fit Center 1630 is at 6.111527 -0.296757 2.451749 ESP Fit Center 1631 is at 5.709710 -0.189090 2.451749 ESP Fit Center 1632 is at 5.307892 -0.296757 2.451749 ESP Fit Center 1633 is at 6.571910 -0.206726 2.257689 ESP Fit Center 1634 is at 6.229752 0.051660 2.257689 ESP Fit Center 1635 is at 5.817359 0.168995 2.257689 ESP Fit Center 1636 is at 5.390428 0.129434 2.257689 ESP Fit Center 1637 is at 5.006617 -0.061681 2.257689 ESP Fit Center 1638 is at 6.958907 -0.189915 1.996527 ESP Fit Center 1639 is at 6.682128 0.129506 1.996527 ESP Fit Center 1640 is at 6.326570 0.358009 1.996527 ESP Fit Center 1641 is at 5.921036 0.477085 1.996527 ESP Fit Center 1642 is at 5.498383 0.477085 1.996527 ESP Fit Center 1643 is at 5.092850 0.358009 1.996527 ESP Fit Center 1644 is at 7.016674 0.165144 1.678300 ESP Fit Center 1645 is at 6.701600 0.444276 1.678300 ESP Fit Center 1646 is at 5.920177 0.740630 1.678300 ESP Fit Center 1647 is at 5.499242 0.740630 1.678300 ESP Fit Center 1648 is at 5.090539 0.639894 1.678300 ESP Fit Center 1649 is at 4.717820 0.444276 1.678300 ESP Fit Center 1650 is at 7.470539 -0.178079 1.315238 ESP Fit Center 1651 is at 4.620924 0.613113 1.315238 ESP Fit Center 1652 is at 5.709710 -3.092725 0.511602 ESP Fit Center 1653 is at 5.605390 -3.049731 0.101913 ESP Fit Center 1654 is at 6.021598 -3.028623 0.101913 ESP Fit Center 1655 is at 6.425037 -2.924166 0.101913 ESP Fit Center 1656 is at 5.814747 -2.930027 -0.292033 ESP Fit Center 1657 is at 6.228754 -2.862154 -0.292033 ESP Fit Center 1658 is at 6.618491 -2.706868 -0.292033 ESP Fit Center 1659 is at 6.965734 -2.471432 -0.292033 ESP Fit Center 1660 is at 7.604497 -1.409799 -0.292033 ESP Fit Center 1661 is at 5.499242 -2.726080 -0.655095 ESP Fit Center 1662 is at 5.920177 -2.726080 -0.655095 ESP Fit Center 1663 is at 6.328880 -2.625344 -0.655095 ESP Fit Center 1664 is at 6.701600 -2.429726 -0.655095 ESP Fit Center 1665 is at 7.016674 -2.150595 -0.655095 ESP Fit Center 1666 is at 7.255792 -1.804172 -0.655095 ESP Fit Center 1667 is at 5.498383 -2.462535 -0.973322 ESP Fit Center 1668 is at 5.921036 -2.462535 -0.973322 ESP Fit Center 1669 is at 6.326570 -2.343460 -0.973322 ESP Fit Center 1670 is at 6.682128 -2.114956 -0.973322 ESP Fit Center 1671 is at 6.958907 -1.795536 -0.973322 ESP Fit Center 1672 is at 5.390428 -2.114885 -1.234484 ESP Fit Center 1673 is at 5.817359 -2.154446 -1.234484 ESP Fit Center 1674 is at 6.229752 -2.037110 -1.234484 ESP Fit Center 1675 is at 6.571910 -1.778724 -1.234484 ESP Fit Center 1676 is at 5.013741 -1.394543 -1.428545 ESP Fit Center 1677 is at 5.307892 -1.688694 -1.428545 ESP Fit Center 1678 is at 5.709710 -1.796360 -1.428545 ESP Fit Center 1679 is at 6.718656 0.476715 1.623055 ESP Fit Center 1680 is at 6.424505 0.770866 1.623055 ESP Fit Center 1681 is at 6.022687 0.878533 1.623055 ESP Fit Center 1682 is at 7.110600 0.496357 1.428994 ESP Fit Center 1683 is at 6.884887 0.860896 1.428994 ESP Fit Center 1684 is at 6.542729 1.119282 1.428994 ESP Fit Center 1685 is at 6.130337 1.236618 1.428994 ESP Fit Center 1686 is at 5.703406 1.197057 1.428994 ESP Fit Center 1687 is at 5.319595 1.005942 1.428994 ESP Fit Center 1688 is at 7.507612 0.074897 1.167832 ESP Fit Center 1689 is at 7.271885 0.877708 1.167832 ESP Fit Center 1690 is at 6.995106 1.197128 1.167832 ESP Fit Center 1691 is at 6.639547 1.425632 1.167832 ESP Fit Center 1692 is at 6.234014 1.544707 1.167832 ESP Fit Center 1693 is at 5.811361 1.544707 1.167832 ESP Fit Center 1694 is at 5.405828 1.425632 1.167832 ESP Fit Center 1695 is at 5.050269 1.197128 1.167832 ESP Fit Center 1696 is at 4.773490 0.877708 1.167832 ESP Fit Center 1697 is at 7.014577 1.511898 0.849605 ESP Fit Center 1698 is at 6.641858 1.707516 0.849605 ESP Fit Center 1699 is at 6.233155 1.808253 0.849605 ESP Fit Center 1700 is at 5.812220 1.808253 0.849605 ESP Fit Center 1701 is at 5.403517 1.707516 0.849605 ESP Fit Center 1702 is at 6.931469 1.789041 0.486543 ESP Fit Center 1703 is at 6.541732 1.944326 0.486543 ESP Fit Center 1704 is at 6.127725 2.012199 0.486543 ESP Fit Center 1705 is at 6.738014 2.006338 0.092597 ESP Fit Center 1706 is at 6.334576 2.110795 0.092597 ESP Fit Center 1707 is at 6.738014 2.006338 -0.726782 ESP Fit Center 1708 is at 7.441718 -1.417921 -0.726782 ESP Fit Center 1709 is at 6.931469 -1.639246 -1.120727 ESP Fit Center 1710 is at 7.278712 -1.403809 -1.120727 ESP Fit Center 1711 is at 7.567225 -1.099229 -1.120727 ESP Fit Center 1712 is at 5.030797 -1.362103 -1.483790 ESP Fit Center 1713 is at 5.812220 -1.658458 -1.483790 ESP Fit Center 1714 is at 6.233155 -1.658458 -1.483790 ESP Fit Center 1715 is at 6.641858 -1.557721 -1.483790 ESP Fit Center 1716 is at 7.014577 -1.362103 -1.483790 ESP Fit Center 1717 is at 7.329652 -1.082972 -1.483790 ESP Fit Center 1718 is at 5.405828 -1.275837 -1.802017 ESP Fit Center 1719 is at 5.811361 -1.394912 -1.802017 ESP Fit Center 1720 is at 6.234014 -1.394912 -1.802017 ESP Fit Center 1721 is at 6.639547 -1.275837 -1.802017 ESP Fit Center 1722 is at 6.995106 -1.047333 -1.802017 ESP Fit Center 1723 is at 7.271885 -0.727913 -1.802017 ESP Fit Center 1724 is at 6.884887 0.860896 -2.063178 ESP Fit Center 1725 is at 5.703406 -1.047262 -2.063178 ESP Fit Center 1726 is at 6.130337 -1.086823 -2.063178 ESP Fit Center 1727 is at 6.542729 -0.969487 -2.063178 ESP Fit Center 1728 is at 6.884887 -0.711102 -2.063178 ESP Fit Center 1729 is at 7.110600 -0.346562 -2.063178 ESP Fit Center 1730 is at 6.826323 0.074897 -2.257239 ESP Fit Center 1731 is at 6.718656 0.476715 -2.257239 ESP Fit Center 1732 is at 6.022687 -0.728738 -2.257239 ESP Fit Center 1733 is at 6.424505 -0.621071 -2.257239 ESP Fit Center 1734 is at 6.718656 -0.326920 -2.257239 ESP Fit Center 1735 is at 6.227532 -0.279904 -2.376741 ESP Fit Center 1736 is at 4.813201 1.098354 1.064089 ESP Fit Center 1737 is at 5.018046 1.547187 0.944587 ESP Fit Center 1738 is at 4.616228 1.439521 0.944587 ESP Fit Center 1739 is at 5.125695 1.905273 0.750526 ESP Fit Center 1740 is at 4.698764 1.865712 0.750526 ESP Fit Center 1741 is at 4.314953 1.674597 0.750526 ESP Fit Center 1742 is at 5.634906 2.094287 0.489364 ESP Fit Center 1743 is at 5.229373 2.213362 0.489364 ESP Fit Center 1744 is at 4.806719 2.213362 0.489364 ESP Fit Center 1745 is at 4.401186 2.094287 0.489364 ESP Fit Center 1746 is at 6.009936 2.180553 0.171137 ESP Fit Center 1747 is at 5.637216 2.376171 0.171137 ESP Fit Center 1748 is at 5.228513 2.476907 0.171137 ESP Fit Center 1749 is at 4.807578 2.476907 0.171137 ESP Fit Center 1750 is at 4.398875 2.376171 0.171137 ESP Fit Center 1751 is at 4.026156 2.180553 0.171137 ESP Fit Center 1752 is at 6.274070 2.222258 -0.191925 ESP Fit Center 1753 is at 5.926827 2.457695 -0.191925 ESP Fit Center 1754 is at 5.537090 2.612981 -0.191925 ESP Fit Center 1755 is at 5.123083 2.680854 -0.191925 ESP Fit Center 1756 is at 4.704165 2.658141 -0.191925 ESP Fit Center 1757 is at 4.299923 2.545903 -0.191925 ESP Fit Center 1758 is at 3.929260 2.349390 -0.191925 ESP Fit Center 1759 is at 6.437076 2.236371 -0.585871 ESP Fit Center 1760 is at 4.501790 2.737451 -0.585871 ESP Fit Center 1761 is at 4.110988 2.592714 -0.585871 ESP Fit Center 1762 is at 3.851348 2.489638 -0.995560 ESP Fit Center 1763 is at 5.123083 -1.193750 -1.799196 ESP Fit Center 1764 is at 4.807578 -0.989803 -2.162258 ESP Fit Center 1765 is at 5.228513 -0.989803 -2.162258 ESP Fit Center 1766 is at 5.637216 -0.889067 -2.162258 ESP Fit Center 1767 is at 6.502970 0.743552 -2.480485 ESP Fit Center 1768 is at 4.806719 -0.726258 -2.480485 ESP Fit Center 1769 is at 5.229373 -0.726258 -2.480485 ESP Fit Center 1770 is at 5.634906 -0.607183 -2.480485 ESP Fit Center 1771 is at 5.990464 -0.378679 -2.480485 ESP Fit Center 1772 is at 6.267244 -0.059259 -2.480485 ESP Fit Center 1773 is at 6.442820 0.325201 -2.480485 ESP Fit Center 1774 is at 4.698764 -0.378608 -2.741646 ESP Fit Center 1775 is at 5.125695 -0.418169 -2.741646 ESP Fit Center 1776 is at 5.538088 -0.300833 -2.741646 ESP Fit Center 1777 is at 5.880246 -0.042447 -2.741646 ESP Fit Center 1778 is at 6.105959 0.322092 -2.741646 ESP Fit Center 1779 is at 4.214411 0.743552 -2.935707 ESP Fit Center 1780 is at 4.322077 0.341734 -2.935707 ESP Fit Center 1781 is at 4.616228 0.047584 -2.935707 ESP Fit Center 1782 is at 5.018046 -0.060083 -2.935707 ESP Fit Center 1783 is at 5.419863 0.047584 -2.935707 ESP Fit Center 1784 is at 5.714014 0.341734 -2.935707 ESP Fit Center 1785 is at 4.608356 0.743552 -3.055209 ESP Fit Center 1786 is at 4.813201 0.388750 -3.055209 ESP Fit Center 1787 is at 5.222891 0.388750 -3.055209 ESP Fit Center 1788 is at 4.099473 1.051245 1.104111 ESP Fit Center 1789 is at 3.697655 1.158911 1.104111 ESP Fit Center 1790 is at 4.217697 1.399661 0.910050 ESP Fit Center 1791 is at 3.805305 1.516997 0.910050 ESP Fit Center 1792 is at 3.378373 1.477436 0.910050 ESP Fit Center 1793 is at 2.994563 1.286321 0.910050 ESP Fit Center 1794 is at 3.908982 1.825086 0.648888 ESP Fit Center 1795 is at 3.486329 1.825086 0.648888 ESP Fit Center 1796 is at 3.080795 1.706011 0.648888 ESP Fit Center 1797 is at 2.725237 1.477507 0.648888 ESP Fit Center 1798 is at 3.908123 2.088631 0.330662 ESP Fit Center 1799 is at 3.487188 2.088631 0.330662 ESP Fit Center 1800 is at 3.078485 1.987895 0.330662 ESP Fit Center 1801 is at 2.705765 1.792277 0.330662 ESP Fit Center 1802 is at 3.802693 2.292578 -0.032401 ESP Fit Center 1803 is at 3.383774 2.269865 -0.032401 ESP Fit Center 1804 is at 2.979533 2.157627 -0.032401 ESP Fit Center 1805 is at 3.593336 2.412282 -0.426346 ESP Fit Center 1806 is at 3.181399 2.349175 -0.426346 ESP Fit Center 1807 is at 3.697655 2.455276 -0.836036 ESP Fit Center 1808 is at 3.287966 2.414925 -0.836036 ESP Fit Center 1809 is at 3.593336 2.412282 -1.245726 ESP Fit Center 1810 is at 4.606437 -1.358867 -1.639671 ESP Fit Center 1811 is at 2.390691 -0.802593 -2.002733 ESP Fit Center 1812 is at 2.705765 -1.081725 -2.002733 ESP Fit Center 1813 is at 3.078485 -1.277343 -2.002733 ESP Fit Center 1814 is at 3.487188 -1.378079 -2.002733 ESP Fit Center 1815 is at 3.908123 -1.378079 -2.002733 ESP Fit Center 1816 is at 4.316826 -1.277343 -2.002733 ESP Fit Center 1817 is at 4.689545 -1.081725 -2.002733 ESP Fit Center 1818 is at 2.448458 -0.447535 -2.320960 ESP Fit Center 1819 is at 2.725237 -0.766955 -2.320960 ESP Fit Center 1820 is at 3.080795 -0.995459 -2.320960 ESP Fit Center 1821 is at 3.486329 -1.114534 -2.320960 ESP Fit Center 1822 is at 3.908982 -1.114534 -2.320960 ESP Fit Center 1823 is at 4.314515 -0.995459 -2.320960 ESP Fit Center 1824 is at 2.994563 -0.575769 -2.582122 ESP Fit Center 1825 is at 3.378373 -0.766883 -2.582122 ESP Fit Center 1826 is at 3.805305 -0.806444 -2.582122 ESP Fit Center 1827 is at 4.217697 -0.689109 -2.582122 ESP Fit Center 1828 is at 3.295838 -0.340692 -2.776183 ESP Fit Center 1829 is at 3.697655 -0.448359 -2.776183 ESP Fit Center 1830 is at 4.099473 -0.340692 -2.776183 ESP Fit Center 1831 is at 4.107345 0.355276 -2.895685 ESP Fit Center 1832 is at 3.902500 0.710078 -2.895685 ESP Fit Center 1833 is at 3.492810 0.000474 -2.895685 ESP Fit Center 1834 is at 3.902500 0.000474 -2.895685 ESP Fit Center 1835 is at 3.697655 0.355276 -2.936036 ESP Fit Center 1836 is at 4.138840 -2.221612 2.968876 ESP Fit Center 1837 is at 4.573656 -2.221612 2.911632 ESP Fit Center 1838 is at 4.356248 -1.845051 2.911632 ESP Fit Center 1839 is at 3.921432 -1.845051 2.911632 ESP Fit Center 1840 is at 3.704024 -2.221612 2.911632 ESP Fit Center 1841 is at 3.921432 -2.598174 2.911632 ESP Fit Center 1842 is at 4.356248 -2.598174 2.911632 ESP Fit Center 1843 is at 4.978840 -2.221612 2.743799 ESP Fit Center 1844 is at 4.866302 -1.801612 2.743799 ESP Fit Center 1845 is at 3.718840 -1.494151 2.743799 ESP Fit Center 1846 is at 3.411379 -1.801612 2.743799 ESP Fit Center 1847 is at 3.298840 -2.221612 2.743799 ESP Fit Center 1848 is at 3.411379 -2.641612 2.743799 ESP Fit Center 1849 is at 3.718840 -2.949074 2.743799 ESP Fit Center 1850 is at 4.138840 -3.061612 2.743799 ESP Fit Center 1851 is at 4.558840 -2.949074 2.743799 ESP Fit Center 1852 is at 4.866302 -2.641612 2.743799 ESP Fit Center 1853 is at 5.326780 -2.221612 2.476816 ESP Fit Center 1854 is at 3.128834 -1.596243 2.476816 ESP Fit Center 1855 is at 2.971128 -2.003329 2.476816 ESP Fit Center 1856 is at 2.971128 -2.439896 2.476816 ESP Fit Center 1857 is at 3.128834 -2.846982 2.476816 ESP Fit Center 1858 is at 3.422947 -3.169608 2.476816 ESP Fit Center 1859 is at 3.813745 -3.364203 2.476816 ESP Fit Center 1860 is at 4.248450 -3.404484 2.476816 ESP Fit Center 1861 is at 4.668351 -3.285012 2.476816 ESP Fit Center 1862 is at 5.016738 -3.021922 2.476816 ESP Fit Center 1863 is at 5.246561 -2.650745 2.476816 ESP Fit Center 1864 is at 2.828000 -1.590345 2.128876 ESP Fit Center 1865 is at 2.828000 -2.852880 2.128876 ESP Fit Center 1866 is at 3.072307 -3.211211 2.128876 ESP Fit Center 1867 is at 3.411379 -3.481612 2.128876 ESP Fit Center 1868 is at 3.815090 -3.640057 2.128876 ESP Fit Center 1869 is at 4.247567 -3.672467 2.128876 ESP Fit Center 1870 is at 4.670383 -3.575962 2.128876 ESP Fit Center 1871 is at 5.045970 -3.359117 2.128876 ESP Fit Center 1872 is at 5.340954 -3.041199 2.128876 ESP Fit Center 1873 is at 5.529125 -2.650458 2.128876 ESP Fit Center 1874 is at 2.991379 -3.369074 1.723692 ESP Fit Center 1875 is at 3.327463 -3.626960 1.723692 ESP Fit Center 1876 is at 3.718840 -3.789074 1.723692 ESP Fit Center 1877 is at 4.138840 -3.844368 1.723692 ESP Fit Center 1878 is at 4.558840 -3.789074 1.723692 ESP Fit Center 1879 is at 4.950218 -3.626960 1.723692 ESP Fit Center 1880 is at 5.286302 -3.369074 1.723692 ESP Fit Center 1881 is at 5.544188 -3.032990 1.723692 ESP Fit Center 1882 is at 3.423531 -3.741722 1.288876 ESP Fit Center 1883 is at 3.824040 -3.871855 1.288876 ESP Fit Center 1884 is at 4.244328 -3.898297 1.288876 ESP Fit Center 1885 is at 4.657989 -3.819387 1.288876 ESP Fit Center 1886 is at 5.039029 -3.640083 1.288876 ESP Fit Center 1887 is at 5.363508 -3.371651 1.288876 ESP Fit Center 1888 is at 5.611036 -3.030958 1.288876 ESP Fit Center 1889 is at 3.327463 -3.626960 0.854061 ESP Fit Center 1890 is at 3.718840 -3.789074 0.854061 ESP Fit Center 1891 is at 4.138840 -3.844368 0.854061 ESP Fit Center 1892 is at 4.558840 -3.789074 0.854061 ESP Fit Center 1893 is at 4.950218 -3.626960 0.854061 ESP Fit Center 1894 is at 5.286302 -3.369074 0.854061 ESP Fit Center 1895 is at 3.411379 -3.481612 0.448876 ESP Fit Center 1896 is at 3.815090 -3.640057 0.448876 ESP Fit Center 1897 is at 4.247567 -3.672467 0.448876 ESP Fit Center 1898 is at 4.670383 -3.575962 0.448876 ESP Fit Center 1899 is at 3.813745 -3.364203 0.100937 ESP Fit Center 1900 is at 6.489570 -1.516157 2.714273 ESP Fit Center 1901 is at 6.924386 -1.516157 2.657028 ESP Fit Center 1902 is at 6.706978 -1.139595 2.657028 ESP Fit Center 1903 is at 6.272162 -1.139595 2.657028 ESP Fit Center 1904 is at 6.054754 -1.516157 2.657028 ESP Fit Center 1905 is at 6.272162 -1.892718 2.657028 ESP Fit Center 1906 is at 6.706978 -1.892718 2.657028 ESP Fit Center 1907 is at 7.329570 -1.516157 2.489195 ESP Fit Center 1908 is at 7.217031 -1.096157 2.489195 ESP Fit Center 1909 is at 6.909570 -0.788695 2.489195 ESP Fit Center 1910 is at 6.489570 -0.676157 2.489195 ESP Fit Center 1911 is at 5.762109 -1.936157 2.489195 ESP Fit Center 1912 is at 6.069570 -2.243618 2.489195 ESP Fit Center 1913 is at 6.489570 -2.356157 2.489195 ESP Fit Center 1914 is at 6.909570 -2.243618 2.489195 ESP Fit Center 1915 is at 7.217031 -1.936157 2.489195 ESP Fit Center 1916 is at 7.677509 -1.516157 2.222212 ESP Fit Center 1917 is at 7.597290 -1.087024 2.222212 ESP Fit Center 1918 is at 7.367468 -0.715847 2.222212 ESP Fit Center 1919 is at 7.019080 -0.452757 2.222212 ESP Fit Center 1920 is at 5.773677 -2.464153 2.222212 ESP Fit Center 1921 is at 6.164475 -2.658747 2.222212 ESP Fit Center 1922 is at 6.599179 -2.699029 2.222212 ESP Fit Center 1923 is at 7.019080 -2.579557 2.222212 ESP Fit Center 1924 is at 7.367468 -2.316466 2.222212 ESP Fit Center 1925 is at 7.597290 -1.945290 2.222212 ESP Fit Center 1926 is at 7.944493 -1.516157 1.874273 ESP Fit Center 1927 is at 7.879855 -1.087311 1.874273 ESP Fit Center 1928 is at 7.691684 -0.696570 1.874273 ESP Fit Center 1929 is at 7.396699 -0.378652 1.874273 ESP Fit Center 1930 is at 5.762109 -2.776157 1.874273 ESP Fit Center 1931 is at 6.165819 -2.934601 1.874273 ESP Fit Center 1932 is at 6.598296 -2.967011 1.874273 ESP Fit Center 1933 is at 7.021113 -2.870506 1.874273 ESP Fit Center 1934 is at 7.396699 -2.653661 1.874273 ESP Fit Center 1935 is at 7.691684 -2.335744 1.874273 ESP Fit Center 1936 is at 7.879855 -1.945003 1.874273 ESP Fit Center 1937 is at 8.112325 -1.516157 1.469089 ESP Fit Center 1938 is at 8.057031 -1.096157 1.469089 ESP Fit Center 1939 is at 7.894917 -0.704779 1.469089 ESP Fit Center 1940 is at 7.637031 -0.368695 1.469089 ESP Fit Center 1941 is at 5.678192 -2.921504 1.469089 ESP Fit Center 1942 is at 6.069570 -3.083618 1.469089 ESP Fit Center 1943 is at 6.489570 -3.138912 1.469089 ESP Fit Center 1944 is at 6.909570 -3.083618 1.469089 ESP Fit Center 1945 is at 7.300948 -2.921504 1.469089 ESP Fit Center 1946 is at 7.637031 -2.663618 1.469089 ESP Fit Center 1947 is at 7.894917 -2.327534 1.469089 ESP Fit Center 1948 is at 8.057031 -1.936157 1.469089 ESP Fit Center 1949 is at 8.169570 -1.516157 1.034273 ESP Fit Center 1950 is at 8.116790 -1.098358 1.034273 ESP Fit Center 1951 is at 7.961765 -0.706811 1.034273 ESP Fit Center 1952 is at 7.714237 -0.366118 1.034273 ESP Fit Center 1953 is at 5.774261 -3.036266 1.034273 ESP Fit Center 1954 is at 6.174769 -3.166399 1.034273 ESP Fit Center 1955 is at 6.595058 -3.192842 1.034273 ESP Fit Center 1956 is at 7.008719 -3.113932 1.034273 ESP Fit Center 1957 is at 7.389759 -2.934628 1.034273 ESP Fit Center 1958 is at 7.714237 -2.666196 1.034273 ESP Fit Center 1959 is at 7.961765 -2.325503 1.034273 ESP Fit Center 1960 is at 8.116790 -1.933956 1.034273 ESP Fit Center 1961 is at 8.112325 -1.516157 0.599457 ESP Fit Center 1962 is at 8.057031 -1.096157 0.599457 ESP Fit Center 1963 is at 7.894917 -0.704779 0.599457 ESP Fit Center 1964 is at 6.069570 -3.083618 0.599457 ESP Fit Center 1965 is at 6.489570 -3.138912 0.599457 ESP Fit Center 1966 is at 6.909570 -3.083618 0.599457 ESP Fit Center 1967 is at 7.300948 -2.921504 0.599457 ESP Fit Center 1968 is at 7.637031 -2.663618 0.599457 ESP Fit Center 1969 is at 7.894917 -2.327534 0.599457 ESP Fit Center 1970 is at 8.057031 -1.936157 0.599457 ESP Fit Center 1971 is at 7.944493 -1.516157 0.194273 ESP Fit Center 1972 is at 7.879855 -1.087311 0.194273 ESP Fit Center 1973 is at 6.598296 -2.967011 0.194273 ESP Fit Center 1974 is at 7.021113 -2.870506 0.194273 ESP Fit Center 1975 is at 7.396699 -2.653661 0.194273 ESP Fit Center 1976 is at 7.691684 -2.335744 0.194273 ESP Fit Center 1977 is at 7.879855 -1.945003 0.194273 ESP Fit Center 1978 is at 7.677509 -1.516157 -0.153667 ESP Fit Center 1979 is at 7.019080 -2.579557 -0.153667 ESP Fit Center 1980 is at 7.367468 -2.316466 -0.153667 ESP Fit Center 1981 is at 7.597290 -1.945290 -0.153667 ESP Fit Center 1982 is at 7.481632 0.379375 1.184659 ESP Fit Center 1983 is at 7.886816 0.379375 1.016827 ESP Fit Center 1984 is at 7.774278 0.799375 1.016827 ESP Fit Center 1985 is at 7.466816 1.106836 1.016827 ESP Fit Center 1986 is at 7.774278 -0.040625 1.016827 ESP Fit Center 1987 is at 8.234756 0.379375 0.749843 ESP Fit Center 1988 is at 8.154537 0.808508 0.749843 ESP Fit Center 1989 is at 7.924714 1.179684 0.749843 ESP Fit Center 1990 is at 7.576326 1.442774 0.749843 ESP Fit Center 1991 is at 7.156425 1.562246 0.749843 ESP Fit Center 1992 is at 7.924714 -0.420935 0.749843 ESP Fit Center 1993 is at 8.154537 -0.049759 0.749843 ESP Fit Center 1994 is at 8.501739 0.379375 0.401904 ESP Fit Center 1995 is at 8.437101 0.808221 0.401904 ESP Fit Center 1996 is at 8.248930 1.198962 0.401904 ESP Fit Center 1997 is at 7.953946 1.516879 0.401904 ESP Fit Center 1998 is at 7.578359 1.733724 0.401904 ESP Fit Center 1999 is at 7.155543 1.830229 0.401904 ESP Fit Center 2000 is at 7.953946 -0.758130 0.401904 ESP Fit Center 2001 is at 8.248930 -0.440212 0.401904 ESP Fit Center 2002 is at 8.437101 -0.049471 0.401904 ESP Fit Center 2003 is at 8.669572 0.379375 -0.003280 ESP Fit Center 2004 is at 8.614278 0.799375 -0.003280 ESP Fit Center 2005 is at 8.452164 1.190752 -0.003280 ESP Fit Center 2006 is at 8.194278 1.526836 -0.003280 ESP Fit Center 2007 is at 7.858194 1.784722 -0.003280 ESP Fit Center 2008 is at 7.466816 1.946836 -0.003280 ESP Fit Center 2009 is at 7.046816 2.002130 -0.003280 ESP Fit Center 2010 is at 7.858194 -1.025973 -0.003280 ESP Fit Center 2011 is at 8.194278 -0.768087 -0.003280 ESP Fit Center 2012 is at 8.452164 -0.432003 -0.003280 ESP Fit Center 2013 is at 8.614278 -0.040625 -0.003280 ESP Fit Center 2014 is at 8.726816 0.379375 -0.438096 ESP Fit Center 2015 is at 8.674036 0.797174 -0.438096 ESP Fit Center 2016 is at 8.519011 1.188721 -0.438096 ESP Fit Center 2017 is at 8.271483 1.529414 -0.438096 ESP Fit Center 2018 is at 7.947005 1.797846 -0.438096 ESP Fit Center 2019 is at 7.565965 1.977150 -0.438096 ESP Fit Center 2020 is at 7.152304 2.056060 -0.438096 ESP Fit Center 2021 is at 7.947005 -1.039096 -0.438096 ESP Fit Center 2022 is at 8.271483 -0.770664 -0.438096 ESP Fit Center 2023 is at 8.519011 -0.429972 -0.438096 ESP Fit Center 2024 is at 8.674036 -0.038424 -0.438096 ESP Fit Center 2025 is at 8.669572 0.379375 -0.872912 ESP Fit Center 2026 is at 8.614278 0.799375 -0.872912 ESP Fit Center 2027 is at 8.452164 1.190752 -0.872912 ESP Fit Center 2028 is at 8.194278 1.526836 -0.872912 ESP Fit Center 2029 is at 7.858194 1.784722 -0.872912 ESP Fit Center 2030 is at 7.466816 1.946836 -0.872912 ESP Fit Center 2031 is at 7.046816 2.002130 -0.872912 ESP Fit Center 2032 is at 7.858194 -1.025973 -0.872912 ESP Fit Center 2033 is at 8.194278 -0.768087 -0.872912 ESP Fit Center 2034 is at 8.452164 -0.432003 -0.872912 ESP Fit Center 2035 is at 8.614278 -0.040625 -0.872912 ESP Fit Center 2036 is at 8.501739 0.379375 -1.278096 ESP Fit Center 2037 is at 8.437101 0.808221 -1.278096 ESP Fit Center 2038 is at 8.248930 1.198962 -1.278096 ESP Fit Center 2039 is at 7.953946 1.516879 -1.278096 ESP Fit Center 2040 is at 7.578359 1.733724 -1.278096 ESP Fit Center 2041 is at 7.155543 1.830229 -1.278096 ESP Fit Center 2042 is at 7.578359 -0.974975 -1.278096 ESP Fit Center 2043 is at 7.953946 -0.758130 -1.278096 ESP Fit Center 2044 is at 8.248930 -0.440212 -1.278096 ESP Fit Center 2045 is at 8.437101 -0.049471 -1.278096 ESP Fit Center 2046 is at 8.234756 0.379375 -1.626036 ESP Fit Center 2047 is at 8.154537 0.808508 -1.626036 ESP Fit Center 2048 is at 7.924714 1.179684 -1.626036 ESP Fit Center 2049 is at 7.576326 1.442774 -1.626036 ESP Fit Center 2050 is at 7.156425 1.562246 -1.626036 ESP Fit Center 2051 is at 7.576326 -0.684025 -1.626036 ESP Fit Center 2052 is at 7.924714 -0.420935 -1.626036 ESP Fit Center 2053 is at 8.154537 -0.049759 -1.626036 ESP Fit Center 2054 is at 7.886816 0.379375 -1.893019 ESP Fit Center 2055 is at 7.774278 0.799375 -1.893019 ESP Fit Center 2056 is at 7.466816 1.106836 -1.893019 ESP Fit Center 2057 is at 7.046816 1.219375 -1.893019 ESP Fit Center 2058 is at 7.466816 -0.348087 -1.893019 ESP Fit Center 2059 is at 7.774278 -0.040625 -1.893019 ESP Fit Center 2060 is at 7.481632 0.379375 -2.060852 ESP Fit Center 2061 is at 7.264224 0.755936 -2.060852 ESP Fit Center 2062 is at 7.264224 0.002813 -2.060852 ESP Fit Center 2063 is at 5.788577 2.623711 -0.463491 ESP Fit Center 2064 is at 6.461181 2.379898 -0.811431 ESP Fit Center 2065 is at 6.166197 2.697815 -0.811431 ESP Fit Center 2066 is at 5.790610 2.914660 -0.811431 ESP Fit Center 2067 is at 5.367794 3.011166 -0.811431 ESP Fit Center 2068 is at 4.935317 2.978756 -0.811431 ESP Fit Center 2069 is at 4.531606 2.820311 -0.811431 ESP Fit Center 2070 is at 6.826529 1.980311 -1.216615 ESP Fit Center 2071 is at 6.664415 2.371689 -1.216615 ESP Fit Center 2072 is at 6.406529 2.707772 -1.216615 ESP Fit Center 2073 is at 6.070445 2.965659 -1.216615 ESP Fit Center 2074 is at 5.679067 3.127772 -1.216615 ESP Fit Center 2075 is at 5.259067 3.183067 -1.216615 ESP Fit Center 2076 is at 4.839067 3.127772 -1.216615 ESP Fit Center 2077 is at 4.447690 2.965659 -1.216615 ESP Fit Center 2078 is at 4.111606 2.707772 -1.216615 ESP Fit Center 2079 is at 6.939067 1.560311 -1.651431 ESP Fit Center 2080 is at 6.886287 1.978110 -1.651431 ESP Fit Center 2081 is at 6.731262 2.369657 -1.651431 ESP Fit Center 2082 is at 6.483735 2.710350 -1.651431 ESP Fit Center 2083 is at 6.159256 2.978782 -1.651431 ESP Fit Center 2084 is at 5.778216 3.158086 -1.651431 ESP Fit Center 2085 is at 5.364555 3.236996 -1.651431 ESP Fit Center 2086 is at 4.944267 3.210554 -1.651431 ESP Fit Center 2087 is at 4.543758 3.080421 -1.651431 ESP Fit Center 2088 is at 4.188195 2.854773 -1.651431 ESP Fit Center 2089 is at 3.899919 2.547790 -1.651431 ESP Fit Center 2090 is at 6.881823 1.560311 -2.086247 ESP Fit Center 2091 is at 6.826529 1.980311 -2.086247 ESP Fit Center 2092 is at 6.664415 2.371689 -2.086247 ESP Fit Center 2093 is at 6.406529 2.707772 -2.086247 ESP Fit Center 2094 is at 6.070445 2.965659 -2.086247 ESP Fit Center 2095 is at 5.679067 3.127772 -2.086247 ESP Fit Center 2096 is at 5.259067 3.183067 -2.086247 ESP Fit Center 2097 is at 4.839067 3.127772 -2.086247 ESP Fit Center 2098 is at 4.447690 2.965659 -2.086247 ESP Fit Center 2099 is at 4.111606 2.707772 -2.086247 ESP Fit Center 2100 is at 3.853720 2.371689 -2.086247 ESP Fit Center 2101 is at 6.826529 1.140311 -2.086247 ESP Fit Center 2102 is at 6.713990 1.560311 -2.491431 ESP Fit Center 2103 is at 6.649352 1.989157 -2.491431 ESP Fit Center 2104 is at 6.461181 2.379898 -2.491431 ESP Fit Center 2105 is at 6.166197 2.697815 -2.491431 ESP Fit Center 2106 is at 5.790610 2.914660 -2.491431 ESP Fit Center 2107 is at 5.367794 3.011166 -2.491431 ESP Fit Center 2108 is at 4.935317 2.978756 -2.491431 ESP Fit Center 2109 is at 4.531606 2.820311 -2.491431 ESP Fit Center 2110 is at 4.192533 2.549910 -2.491431 ESP Fit Center 2111 is at 3.948227 2.191578 -2.491431 ESP Fit Center 2112 is at 3.820395 1.777156 -2.491431 ESP Fit Center 2113 is at 6.649352 1.131465 -2.491431 ESP Fit Center 2114 is at 6.447007 1.560311 -2.839370 ESP Fit Center 2115 is at 6.366788 1.989444 -2.839370 ESP Fit Center 2116 is at 6.136965 2.360621 -2.839370 ESP Fit Center 2117 is at 5.788577 2.623711 -2.839370 ESP Fit Center 2118 is at 5.368676 2.743183 -2.839370 ESP Fit Center 2119 is at 4.933972 2.702902 -2.839370 ESP Fit Center 2120 is at 4.543174 2.508307 -2.839370 ESP Fit Center 2121 is at 4.249061 2.185681 -2.839370 ESP Fit Center 2122 is at 4.091355 1.778594 -2.839370 ESP Fit Center 2123 is at 4.091355 1.342028 -2.839370 ESP Fit Center 2124 is at 6.136965 0.760002 -2.839370 ESP Fit Center 2125 is at 6.366788 1.131178 -2.839370 ESP Fit Center 2126 is at 6.099067 1.560311 -3.106353 ESP Fit Center 2127 is at 5.986529 1.980311 -3.106353 ESP Fit Center 2128 is at 5.679067 2.287772 -3.106353 ESP Fit Center 2129 is at 5.259067 2.400311 -3.106353 ESP Fit Center 2130 is at 4.839067 2.287772 -3.106353 ESP Fit Center 2131 is at 4.531606 1.980311 -3.106353 ESP Fit Center 2132 is at 4.419067 1.560311 -3.106353 ESP Fit Center 2133 is at 4.531606 1.140311 -3.106353 ESP Fit Center 2134 is at 4.839067 0.832850 -3.106353 ESP Fit Center 2135 is at 5.259067 0.720311 -3.106353 ESP Fit Center 2136 is at 5.679067 0.832850 -3.106353 ESP Fit Center 2137 is at 5.986529 1.140311 -3.106353 ESP Fit Center 2138 is at 5.693883 1.560311 -3.274186 ESP Fit Center 2139 is at 5.476475 1.936873 -3.274186 ESP Fit Center 2140 is at 5.041659 1.936873 -3.274186 ESP Fit Center 2141 is at 4.824251 1.560311 -3.274186 ESP Fit Center 2142 is at 5.041659 1.183749 -3.274186 ESP Fit Center 2143 is at 5.476475 1.183749 -3.274186 ESP Fit Center 2144 is at 5.259067 1.560311 -3.331431 ESP Fit Center 2145 is at 3.352495 2.434491 -0.956442 ESP Fit Center 2146 is at 2.932495 2.489785 -0.956442 ESP Fit Center 2147 is at 3.451643 2.464804 -1.391258 ESP Fit Center 2148 is at 3.037983 2.543714 -1.391258 ESP Fit Center 2149 is at 2.617694 2.517272 -1.391258 ESP Fit Center 2150 is at 3.743872 2.272377 -1.826074 ESP Fit Center 2151 is at 3.352495 2.434491 -1.826074 ESP Fit Center 2152 is at 2.932495 2.489785 -1.826074 ESP Fit Center 2153 is at 2.512495 2.434491 -1.826074 ESP Fit Center 2154 is at 2.121117 2.272377 -1.826074 ESP Fit Center 2155 is at 1.309739 0.867029 -1.826074 ESP Fit Center 2156 is at 3.464038 2.221379 -2.231258 ESP Fit Center 2157 is at 3.041221 2.317884 -2.231258 ESP Fit Center 2158 is at 2.608744 2.285474 -2.231258 ESP Fit Center 2159 is at 2.205033 2.127029 -2.231258 ESP Fit Center 2160 is at 1.865961 1.856628 -2.231258 ESP Fit Center 2161 is at 1.621655 1.498297 -2.231258 ESP Fit Center 2162 is at 1.493822 1.083874 -2.231258 ESP Fit Center 2163 is at 1.493822 0.650184 -2.231258 ESP Fit Center 2164 is at 1.621655 0.235762 -2.231258 ESP Fit Center 2165 is at 1.865961 -0.122569 -2.231258 ESP Fit Center 2166 is at 2.205033 -0.392971 -2.231258 ESP Fit Center 2167 is at 3.810393 1.667339 -2.579198 ESP Fit Center 2168 is at 3.462005 1.930429 -2.579198 ESP Fit Center 2169 is at 3.042104 2.049901 -2.579198 ESP Fit Center 2170 is at 2.607400 2.009620 -2.579198 ESP Fit Center 2171 is at 2.216601 1.815026 -2.579198 ESP Fit Center 2172 is at 1.922488 1.492399 -2.579198 ESP Fit Center 2173 is at 1.764782 1.085313 -2.579198 ESP Fit Center 2174 is at 1.764782 0.648746 -2.579198 ESP Fit Center 2175 is at 1.922488 0.241660 -2.579198 ESP Fit Center 2176 is at 2.216601 -0.080967 -2.579198 ESP Fit Center 2177 is at 2.607400 -0.275561 -2.579198 ESP Fit Center 2178 is at 3.659956 1.287029 -2.846181 ESP Fit Center 2179 is at 3.352495 1.594491 -2.846181 ESP Fit Center 2180 is at 2.932495 1.707029 -2.846181 ESP Fit Center 2181 is at 2.512495 1.594491 -2.846181 ESP Fit Center 2182 is at 2.205033 1.287029 -2.846181 ESP Fit Center 2183 is at 2.092495 0.867029 -2.846181 ESP Fit Center 2184 is at 2.205033 0.447029 -2.846181 ESP Fit Center 2185 is at 2.512495 0.139568 -2.846181 ESP Fit Center 2186 is at 2.932495 0.027029 -2.846181 ESP Fit Center 2187 is at 3.367311 0.867029 -3.014014 ESP Fit Center 2188 is at 3.149903 1.243591 -3.014014 ESP Fit Center 2189 is at 2.715087 1.243591 -3.014014 ESP Fit Center 2190 is at 2.497679 0.867029 -3.014014 ESP Fit Center 2191 is at 2.715087 0.490468 -3.014014 ESP Fit Center 2192 is at 3.149903 0.490468 -3.014014 ESP Fit Center 2193 is at 2.932495 0.867029 -3.071258 ESP Fit Center 2194 is at -6.653631 -1.362581 -1.172699 ESP Fit Center 2195 is at -3.668875 -0.727200 -2.607113 ESP Fit Center 2196 is at -3.778848 -0.316776 -2.607113 ESP Fit Center 2197 is at -5.304254 -1.510923 3.339809 ESP Fit Center 2198 is at -4.887498 -1.510923 3.339809 ESP Fit Center 2199 is at -5.916724 -1.150002 3.231533 ESP Fit Center 2200 is at -5.806751 -1.560426 3.231533 ESP Fit Center 2201 is at -5.506300 -1.860877 3.231533 ESP Fit Center 2202 is at -5.095876 -1.970850 3.231533 ESP Fit Center 2203 is at -4.685452 -1.860877 3.231533 ESP Fit Center 2204 is at -4.385000 -1.560426 3.231533 ESP Fit Center 2205 is at -6.295876 -1.150002 3.054731 ESP Fit Center 2206 is at -6.223507 -1.560426 3.054731 ESP Fit Center 2207 is at -6.015129 -1.921347 3.054731 ESP Fit Center 2208 is at -5.695876 -2.189232 3.054731 ESP Fit Center 2209 is at -3.968245 -1.560426 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Fit Center 2228 is at -6.729229 0.558352 1.393026 ESP Fit Center 2229 is at -6.638566 0.688505 0.976270 ESP Fit Center 2230 is at -6.295876 -3.228463 0.976270 ESP Fit Center 2231 is at -6.024806 -3.323341 0.559515 ESP Fit Center 2232 is at -6.223507 -3.103116 0.155422 ESP Fit Center 2233 is at -5.833500 -3.281226 0.155422 ESP Fit Center 2234 is at -6.011218 -3.016053 -0.223730 ESP Fit Center 2235 is at -5.616847 -3.162112 -0.223730 ESP Fit Center 2236 is at -5.201148 -3.225795 -0.223730 ESP Fit Center 2237 is at -6.015129 -2.742195 -0.566420 ESP Fit Center 2238 is at -4.891332 1.671154 1.112772 ESP Fit Center 2239 is at -5.322841 1.631169 1.112772 ESP Fit Center 2240 is at -5.710767 1.438005 1.112772 ESP Fit Center 2241 is at -6.002719 1.117750 1.112772 ESP Fit Center 2242 is at -5.214900 1.990695 0.863666 ESP Fit Center 2243 is at -5.627029 1.869682 0.863666 ESP Fit Center 2244 is at -5.988372 1.637462 0.863666 ESP Fit Center 2245 is at -6.269653 1.312846 0.863666 ESP Fit Center 2246 is at -5.104073 2.281511 0.558188 ESP Fit Center 2247 is at -5.512813 2.209439 0.558188 ESP Fit Center 2248 is at -5.893915 2.045048 0.558188 ESP Fit Center 2249 is at -6.226833 1.797200 0.558188 ESP Fit Center 2250 is at -5.209733 2.491158 0.206740 ESP Fit Center 2251 is at -5.619766 2.404003 0.206740 ESP Fit Center 2252 is at -6.002719 2.233501 0.206740 ESP Fit Center 2253 is at -6.341853 1.987105 0.206740 ESP Fit Center 2254 is at -5.000136 2.651466 -0.178709 ESP Fit Center 2255 is at -5.420456 2.610068 -0.178709 ESP Fit Center 2256 is at -5.824623 2.487465 -0.178709 ESP Fit Center 2257 is at -6.197106 2.288369 -0.178709 ESP Fit Center 2258 is at -4.894007 2.724895 -0.585033 ESP Fit Center 2259 is at -5.317561 2.704718 -0.585033 ESP Fit Center 2260 is at -5.729643 2.604749 -0.585033 ESP Fit Center 2261 is at -6.115358 2.428598 -0.585033 ESP Fit Center 2262 is at -4.474288 2.664548 -0.998395 ESP Fit Center 2263 is at -4.894007 2.724895 -0.998395 ESP Fit Center 2264 is at -5.317561 2.704718 -0.998395 ESP Fit Center 2265 is at -5.729643 2.604749 -0.998395 ESP Fit Center 2266 is at -6.115358 2.428598 -0.998395 ESP Fit Center 2267 is at -4.175648 2.487465 -1.404719 ESP Fit Center 2268 is at -4.579816 2.610068 -1.404719 ESP Fit Center 2269 is at -5.000136 2.651466 -1.404719 ESP Fit Center 2270 is at -5.420456 2.610068 -1.404719 ESP Fit Center 2271 is at -5.824623 2.487465 -1.404719 ESP Fit Center 2272 is at -6.197106 2.288369 -1.404719 ESP Fit Center 2273 is at -3.997553 2.233501 -1.790168 ESP Fit Center 2274 is at -4.380505 2.404003 -1.790168 ESP Fit Center 2275 is at -4.790539 2.491158 -1.790168 ESP Fit Center 2276 is at -5.209733 2.491158 -1.790168 ESP Fit Center 2277 is at -5.619766 2.404003 -1.790168 ESP Fit Center 2278 is at -6.002719 2.233501 -1.790168 ESP Fit Center 2279 is at -3.630786 1.645997 -2.141616 ESP Fit Center 2280 is at -3.932680 1.930819 -2.141616 ESP Fit Center 2281 is at -4.292120 2.138342 -2.141616 ESP Fit Center 2282 is at -4.689729 2.257378 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ESP Fit Center 2301 is at -5.710767 1.438005 -2.696200 ESP Fit Center 2302 is at -5.710767 -0.444052 -2.696200 ESP Fit Center 2303 is at -5.322841 -0.637216 -2.696200 ESP Fit Center 2304 is at -4.128690 -0.297451 -2.696200 ESP Fit Center 2305 is at -3.900557 0.070997 -2.696200 ESP Fit Center 2306 is at -4.190954 0.496977 -2.880452 ESP Fit Center 2307 is at -4.299364 0.901567 -2.880452 ESP Fit Center 2308 is at -4.595545 1.197748 -2.880452 ESP Fit Center 2309 is at -5.000136 1.306158 -2.880452 ESP Fit Center 2310 is at -5.404726 1.197748 -2.880452 ESP Fit Center 2311 is at -5.700907 0.901567 -2.880452 ESP Fit Center 2312 is at -5.809317 0.496977 -2.880452 ESP Fit Center 2313 is at -5.700907 0.092386 -2.880452 ESP Fit Center 2314 is at -5.404726 -0.203795 -2.880452 ESP Fit Center 2315 is at -5.000136 -0.312205 -2.880452 ESP Fit Center 2316 is at -4.595545 -0.203795 -2.880452 ESP Fit Center 2317 is at -4.299364 0.092386 -2.880452 ESP Fit Center 2318 is at -4.588537 0.496977 -2.993574 ESP Fit Center 2319 is at -4.794336 0.853432 -2.993574 ESP Fit Center 2320 is at -5.205935 0.853432 -2.993574 ESP Fit Center 2321 is at -5.411735 0.496977 -2.993574 ESP Fit Center 2322 is at -5.205935 0.140521 -2.993574 ESP Fit Center 2323 is at -4.794336 0.140521 -2.993574 ESP Fit Center 2324 is at -5.000136 0.496977 -3.031714 ESP Fit Center 2325 is at 1.001659 -0.214981 2.423878 ESP Fit Center 2326 is at 1.418414 -0.214981 2.387416 ESP Fit Center 2327 is at 0.793281 -0.575902 2.387416 ESP Fit Center 2328 is at 1.712534 0.195443 2.279140 ESP Fit Center 2329 is at 0.290783 -0.625405 2.279140 ESP Fit Center 2330 is at 0.591234 -0.925857 2.279140 ESP Fit Center 2331 is at 0.401659 -1.254212 2.102339 ESP Fit Center 2332 is at 2.319763 0.586576 1.862384 ESP Fit Center 2333 is at 0.793281 -1.396751 -2.054583 ESP Fit Center 2334 is at 0.591234 -0.925857 -2.231385 ESP Fit Center 2335 is at 1.001659 -1.035830 -2.231385 ESP Fit Center 2336 is at 1.412083 -0.925857 -2.231385 ESP Fit Center 2337 is 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0.583252 ESP Fit Center 2392 is at -0.564462 -3.860478 0.179159 ESP Fit Center 2393 is at -0.151354 -3.766189 0.179159 ESP Fit Center 2394 is at -0.464972 -3.881868 -0.237597 ESP Fit Center 2395 is at -0.060879 -3.773592 -0.237597 ESP Fit Center 2396 is at -0.564462 -3.860478 -0.654352 ESP Fit Center 2397 is at -0.151354 -3.766189 -0.654352 ESP Fit Center 2398 is at 0.238280 -3.599651 -0.654352 ESP Fit Center 2399 is at -0.774418 -3.771038 -1.058445 ESP Fit Center 2400 is at -0.350029 -3.710020 -1.058445 ESP Fit Center 2401 is at 0.055142 -3.569789 -1.058445 ESP Fit Center 2402 is at 0.426453 -3.355412 -1.058445 ESP Fit Center 2403 is at -0.566991 -3.572823 -1.437597 ESP Fit Center 2404 is at -0.159867 -3.467411 -1.437597 ESP Fit Center 2405 is at 0.217704 -3.282204 -1.437597 ESP Fit Center 2406 is at 0.550263 -3.024783 -1.437597 ESP Fit Center 2407 is at -0.988627 -3.353726 -1.780287 ESP Fit Center 2408 is at -0.562474 -3.328905 -1.780287 ESP Fit Center 2409 is at -0.153532 -3.206476 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Center 2769 is at -5.822873 -3.543226 1.736900 ESP Fit Center 2770 is at -5.467957 -3.766235 1.736900 ESP Fit Center 2771 is at -5.072315 -3.904676 1.736900 ESP Fit Center 2772 is at -4.655786 -3.951607 1.736900 ESP Fit Center 2773 is at -4.239258 -3.904676 1.736900 ESP Fit Center 2774 is at -3.843616 -3.766235 1.736900 ESP Fit Center 2775 is at -3.488700 -3.543226 1.736900 ESP Fit Center 2776 is at -3.192306 -3.246832 1.736900 ESP Fit Center 2777 is at -6.049698 -3.400129 1.309660 ESP Fit Center 2778 is at -5.733266 -3.668909 1.309660 ESP Fit Center 2779 is at -5.366452 -3.863381 1.309660 ESP Fit Center 2780 is at -4.966408 -3.974453 1.309660 ESP Fit Center 2781 is at -4.551840 -3.996930 1.309660 ESP Fit Center 2782 is at -4.142132 -3.929762 1.309660 ESP Fit Center 2783 is at -3.756442 -3.776089 1.309660 ESP Fit Center 2784 is at -5.822873 -3.543226 0.882419 ESP Fit Center 2785 is at -5.467957 -3.766235 0.882419 ESP Fit Center 2786 is at -5.072315 -3.904676 0.882419 ESP Fit Center 2787 is at -4.655786 -3.951607 0.882419 ESP Fit Center 2788 is at -4.239258 -3.904676 0.882419 ESP Fit Center 2789 is at -5.638459 -3.503393 0.476603 ESP Fit Center 2790 is at -5.269203 -3.697193 0.476603 ESP Fit Center 2791 is at -4.864298 -3.796993 0.476603 ESP Fit Center 2792 is at -5.279373 -3.445209 0.112559 ESP Fit Center 2793 is at -4.869418 -3.565583 0.112559 ESP Fit Center 2794 is at -6.887358 -0.885098 2.593913 ESP Fit Center 2795 is at -6.998967 -1.301626 2.593913 ESP Fit Center 2796 is at -6.887358 -1.718154 2.593913 ESP Fit Center 2797 is at -7.082942 -0.532145 2.365169 ESP Fit Center 2798 is at -7.290816 -0.892193 2.365169 ESP Fit Center 2799 is at -7.363010 -1.301626 2.365169 ESP Fit Center 2800 is at -7.290816 -1.711058 2.365169 ESP Fit Center 2801 is at -7.082942 -2.071107 2.365169 ESP Fit Center 2802 is at -6.764460 -2.338345 2.365169 ESP Fit Center 2803 is at -7.148932 -0.167158 2.061153 ESP Fit Center 2804 is at -7.428729 -0.490061 2.061153 ESP Fit Center 2805 is at 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-0.134539 1.291293 ESP Fit Center 2824 is at -7.852399 -0.489456 1.291293 ESP Fit Center 2825 is at -7.990840 -0.885098 1.291293 ESP Fit Center 2826 is at -8.037771 -1.301626 1.291293 ESP Fit Center 2827 is at -7.990840 -1.718154 1.291293 ESP Fit Center 2828 is at -7.852399 -2.113796 1.291293 ESP Fit Center 2829 is at -7.629390 -2.468713 1.291293 ESP Fit Center 2830 is at -7.332996 -2.765106 1.291293 ESP Fit Center 2831 is at -6.978080 -2.988115 1.291293 ESP Fit Center 2832 is at -6.582438 -3.126556 1.291293 ESP Fit Center 2833 is at -6.876575 0.482009 0.864053 ESP Fit Center 2834 is at -7.243389 0.287537 0.864053 ESP Fit Center 2835 is at -7.559821 0.018757 0.864053 ESP Fit Center 2836 is at -7.811076 -0.311763 0.864053 ESP Fit Center 2837 is at -7.985404 -0.688567 0.864053 ESP Fit Center 2838 is at -8.074655 -1.094037 0.864053 ESP Fit Center 2839 is at -8.074655 -1.509214 0.864053 ESP Fit Center 2840 is at -7.985404 -1.914685 0.864053 ESP Fit Center 2841 is at -7.811076 -2.291489 0.864053 ESP Fit Center 2842 is at -7.559821 -2.622009 0.864053 ESP Fit Center 2843 is at -7.243389 -2.890789 0.864053 ESP Fit Center 2844 is at -6.876575 -3.085261 0.864053 ESP Fit Center 2845 is at -6.476531 -3.196333 0.864053 ESP Fit Center 2846 is at -7.332996 0.161854 0.436813 ESP Fit Center 2847 is at -7.629390 -0.134539 0.436813 ESP Fit Center 2848 is at -7.852399 -0.489456 0.436813 ESP Fit Center 2849 is at -7.990840 -0.885098 0.436813 ESP Fit Center 2850 is at -8.037771 -1.301626 0.436813 ESP Fit Center 2851 is at -7.990840 -1.718154 0.436813 ESP Fit Center 2852 is at -7.852399 -2.113796 0.436813 ESP Fit Center 2853 is at -7.629390 -2.468713 0.436813 ESP Fit Center 2854 is at -7.332996 -2.765106 0.436813 ESP Fit Center 2855 is at -6.978080 -2.988115 0.436813 ESP Fit Center 2856 is at -6.582438 -3.126556 0.436813 ESP Fit Center 2857 is at -7.697625 -0.497720 0.030996 ESP Fit Center 2858 is at -7.845503 -0.887643 0.030996 ESP Fit Center 2859 is at -7.895770 -1.301626 0.030996 ESP Fit Center 2860 is at -7.845503 -1.715609 0.030996 ESP Fit Center 2861 is at -7.697625 -2.105532 0.030996 ESP Fit Center 2862 is at -7.460729 -2.448735 0.030996 ESP Fit Center 2863 is at -7.148582 -2.725273 0.030996 ESP Fit Center 2864 is at -6.779327 -2.919073 0.030996 ESP Fit Center 2865 is at -6.374421 -3.018874 0.030996 ESP Fit Center 2866 is at -7.606221 -0.878713 -0.333047 ESP Fit Center 2867 is at -7.667026 -1.301626 -0.333047 ESP Fit Center 2868 is at -7.606221 -1.724539 -0.333047 ESP Fit Center 2869 is at -7.428729 -2.113191 -0.333047 ESP Fit Center 2870 is at -7.148932 -2.436094 -0.333047 ESP Fit Center 2871 is at -6.789496 -2.667089 -0.333047 ESP Fit Center 2872 is at -6.379541 -2.787463 -0.333047 ESP Fit Center 2873 is at -7.363010 -1.301626 -0.637063 ESP Fit Center 2874 is at -7.290816 -1.711058 -0.637063 ESP Fit Center 2875 is at -7.082942 -2.071107 -0.637063 ESP Fit Center 2876 is at -6.764460 -2.338345 -0.637063 ESP Fit Center 2877 is at -6.373784 -2.480540 -0.637063 ESP Fit Center 2878 is at -6.998967 -1.301626 -0.865807 ESP Fit Center 2879 is at -6.887358 -1.718154 -0.865807 ESP Fit Center 2880 is at -6.582438 -2.023074 -0.865807 ESP Fit Center 2881 is at 1.973895 -1.201750 2.602978 ESP Fit Center 2882 is at 2.390650 -1.201750 2.566517 ESP Fit Center 2883 is at 2.182272 -0.840829 2.566517 ESP Fit Center 2884 is at 1.765517 -0.840829 2.566517 ESP Fit Center 2885 is at 1.557139 -1.201750 2.566517 ESP Fit Center 2886 is at 2.794743 -1.201750 2.458240 ESP Fit Center 2887 is at 2.684770 -0.791325 2.458240 ESP Fit Center 2888 is at 2.384319 -0.490874 2.458240 ESP Fit Center 2889 is at 1.973895 -0.380901 2.458240 ESP Fit Center 2890 is at 1.563470 -0.490874 2.458240 ESP Fit Center 2891 is at 1.263019 -0.791325 2.458240 ESP Fit Center 2892 is at 1.153046 -1.201750 2.458240 ESP Fit Center 2893 is at 2.684770 -1.612174 2.458240 ESP Fit Center 2894 is at 2.573895 -0.162519 2.281439 ESP Fit Center 2895 is at 2.182272 -0.019980 2.281439 ESP Fit Center 2896 is at 0.773895 -1.201750 2.281439 ESP Fit Center 2897 is at 2.287764 0.308674 2.041485 ESP Fit Center 2898 is at 1.084256 -2.462081 -1.635529 ESP Fit Center 2899 is at 2.287764 -2.712173 -1.635529 ESP Fit Center 2900 is at 2.683633 -2.571482 -1.635529 ESP Fit Center 2901 is at 1.054641 -1.973095 -1.875483 ESP Fit Center 2902 is at 1.373895 -2.240980 -1.875483 ESP Fit Center 2903 is at 1.765517 -2.383519 -1.875483 ESP Fit Center 2904 is at 2.182272 -2.383519 -1.875483 ESP Fit Center 2905 is at 2.573895 -2.240980 -1.875483 ESP Fit Center 2906 is at 1.263019 -1.612174 -2.052284 ESP Fit Center 2907 is at 1.563470 -1.912625 -2.052284 ESP Fit Center 2908 is at 1.973895 -2.022598 -2.052284 ESP Fit Center 2909 is at 2.384319 -1.912625 -2.052284 ESP Fit Center 2910 is at 2.390650 -1.201750 -2.160561 ESP Fit Center 2911 is at 1.557139 -1.201750 -2.160561 ESP Fit Center 2912 is at 1.765517 -1.562671 -2.160561 ESP Fit Center 2913 is at 2.182272 -1.562671 -2.160561 ESP Fit Center 2914 is at 1.973895 -1.201750 -2.197022 ESP Fit Center 2915 is at -3.897391 1.915543 1.725497 ESP Fit Center 2916 is at -4.009000 1.499015 1.725497 ESP Fit Center 2917 is at -4.092975 2.268496 1.496753 ESP Fit Center 2918 is at -4.300849 1.908447 1.496753 ESP Fit Center 2919 is at -4.373043 1.499015 1.496753 ESP Fit Center 2920 is at -4.158965 2.633483 1.192737 ESP Fit Center 2921 is at -4.438762 2.310580 1.192737 ESP Fit Center 2922 is at -4.616253 1.921928 1.192737 ESP Fit Center 2923 is at -4.677059 1.499015 1.192737 ESP Fit Center 2924 is at -4.158615 2.922662 0.828693 ESP Fit Center 2925 is at -4.470762 2.646124 0.828693 ESP Fit Center 2926 is at -4.707658 2.302921 0.828693 ESP Fit Center 2927 is at -4.343029 2.962495 0.422877 ESP Fit Center 2928 is at -4.639423 2.666101 0.422877 ESP Fit Center 2929 is at -4.253422 3.088178 -0.004363 ESP Fit Center 2930 is at -4.569854 2.819398 -0.004363 ESP Fit Center 2931 is at -3.988113 3.185504 -0.431604 ESP Fit Center 2932 is at -4.343029 2.962495 -0.431604 ESP Fit Center 2933 is at -4.158615 2.922662 -0.837420 ESP Fit Center 2934 is at -3.799529 2.864478 -1.201464 ESP Fit Center 2935 is at -4.158965 2.633483 -1.201464 ESP Fit Center 2936 is at -3.774493 2.535734 -1.505480 ESP Fit Center 2937 is at -3.592471 2.220463 -1.734224 ESP Fit Center 2938 is at -0.434155 2.553140 4.003977 ESP Fit Center 2939 is at -0.022126 2.553140 3.980838 ESP Fit Center 2940 is at -0.228140 2.909968 3.980838 ESP Fit Center 2941 is at -0.640170 2.909968 3.980838 ESP Fit Center 2942 is at -0.846184 2.553140 3.980838 ESP Fit Center 2943 is at -0.640170 2.196312 3.980838 ESP Fit Center 2944 is at -0.228140 2.196312 3.980838 ESP Fit Center 2945 is at 0.384722 2.553140 3.911711 ESP Fit Center 2946 is at 0.275013 2.962579 3.911711 ESP Fit Center 2947 is at -0.024716 3.262308 3.911711 ESP Fit Center 2948 is at -0.434155 3.372017 3.911711 ESP Fit Center 2949 is at -0.843594 3.262308 3.911711 ESP Fit Center 2950 is at -1.143323 2.962579 3.911711 ESP Fit Center 2951 is at -1.253032 2.553140 3.911711 ESP Fit Center 2952 is at -1.143323 2.143702 3.911711 ESP Fit Center 2953 is at -0.843594 1.843972 3.911711 ESP Fit Center 2954 is at -0.434155 1.734263 3.911711 ESP Fit Center 2955 is at -0.024716 1.843972 3.911711 ESP Fit Center 2956 is at 0.275013 2.143702 3.911711 ESP Fit Center 2957 is at 0.781272 2.553140 3.797467 ESP Fit Center 2958 is at 0.707973 2.968841 3.797467 ESP Fit Center 2959 is at 0.496916 3.334402 3.797467 ESP Fit Center 2960 is at 0.173558 3.605731 3.797467 ESP Fit Center 2961 is at -0.223098 3.750102 3.797467 ESP Fit Center 2962 is at -0.645212 3.750102 3.797467 ESP Fit Center 2963 is at -1.041868 3.605731 3.797467 ESP Fit Center 2964 is at -1.365226 3.334402 3.797467 ESP Fit Center 2965 is at -1.576283 2.968841 3.797467 ESP Fit Center 2966 is at -1.649582 2.553140 3.797467 ESP Fit Center 2967 is at -1.576283 2.137440 3.797467 ESP Fit Center 2968 is at -1.365226 1.771879 3.797467 ESP Fit Center 2969 is at -1.041868 1.500550 3.797467 ESP Fit Center 2970 is at -0.645212 1.356178 3.797467 ESP Fit Center 2971 is at -0.223098 1.356178 3.797467 ESP Fit Center 2972 is at 0.173558 1.500550 3.797467 ESP Fit Center 2973 is at 0.496916 1.771879 3.797467 ESP Fit Center 2974 is at 0.707973 2.137440 3.797467 ESP Fit Center 2975 is at 1.162537 2.553140 3.639542 ESP Fit Center 2976 is at 1.108131 2.966394 3.639542 ESP Fit Center 2977 is at 0.948621 3.351486 3.639542 ESP Fit Center 2978 is at 0.694877 3.682172 3.639542 ESP Fit Center 2979 is at 0.364191 3.935916 3.639542 ESP Fit Center 2980 is at -0.020901 4.095426 3.639542 ESP Fit Center 2981 is at -0.434155 4.149832 3.639542 ESP Fit Center 2982 is at -0.847409 4.095426 3.639542 ESP Fit Center 2983 is at -1.232501 3.935916 3.639542 ESP Fit Center 2984 is at -1.563187 3.682172 3.639542 ESP Fit Center 2985 is at -1.816931 3.351486 3.639542 ESP Fit Center 2986 is at -1.976441 2.966394 3.639542 ESP Fit Center 2987 is at -2.030847 2.553140 3.639542 ESP Fit Center 2988 is at -1.976441 2.139886 3.639542 ESP Fit Center 2989 is at -1.816931 1.754794 3.639542 ESP Fit Center 2990 is at -1.563187 1.424108 3.639542 ESP Fit Center 2991 is at -1.232501 1.170364 3.639542 ESP Fit Center 2992 is at -0.847409 1.010854 3.639542 ESP Fit Center 2993 is at -0.434155 0.956448 3.639542 ESP Fit Center 2994 is at -0.020901 1.010854 3.639542 ESP Fit Center 2995 is at 0.364191 1.170364 3.639542 ESP Fit Center 2996 is at 0.694877 1.424108 3.639542 ESP Fit Center 2997 is at 0.948621 1.754794 3.639542 ESP Fit Center 2998 is at 1.108131 2.139886 3.639542 ESP Fit Center 2999 is at 1.523723 2.553140 3.439922 ESP Fit Center 3000 is at 1.477949 2.974026 3.439922 ESP Fit Center 3001 is at 1.342767 3.375232 3.439922 ESP Fit Center 3002 is at 1.124498 3.737997 3.439922 ESP Fit Center 3003 is at 0.833348 4.045361 3.439922 ESP Fit Center 3004 is at 0.482932 4.282949 3.439922 ESP Fit Center 3005 is at 0.089633 4.439654 3.439922 ESP Fit Center 3006 is at -0.328158 4.508147 3.439922 ESP Fit Center 3007 is at -0.750904 4.485226 3.439922 ESP Fit Center 3008 is at -1.158840 4.371963 3.439922 ESP Fit Center 3009 is at -1.532891 4.173654 3.439922 ESP Fit Center 3010 is at -1.855566 3.899572 3.439922 ESP Fit Center 3011 is at -2.111777 3.562532 3.439922 ESP Fit Center 3012 is at -2.289544 3.178294 3.439922 ESP Fit Center 3013 is at -2.380556 2.764824 3.439922 ESP Fit Center 3014 is at -2.380556 2.341456 3.439922 ESP Fit Center 3015 is at -2.289544 1.927987 3.439922 ESP Fit Center 3016 is at -2.111777 1.543749 3.439922 ESP Fit Center 3017 is at -1.855566 1.206708 3.439922 ESP Fit Center 3018 is at -1.532891 0.932626 3.439922 ESP Fit Center 3019 is at -1.158840 0.734317 3.439922 ESP Fit Center 3020 is at -0.750904 0.621054 3.439922 ESP Fit Center 3021 is at -0.328158 0.598134 3.439922 ESP Fit Center 3022 is at 0.089633 0.666627 3.439922 ESP Fit Center 3023 is at 0.482932 0.823331 3.439922 ESP Fit Center 3024 is at 0.833348 1.060920 3.439922 ESP Fit Center 3025 is at 1.124498 1.368283 3.439922 ESP Fit Center 3026 is at 1.342767 1.731049 3.439922 ESP Fit Center 3027 is at 1.477949 2.132254 3.439922 ESP Fit Center 3028 is at 1.860287 2.553140 3.201117 ESP Fit Center 3029 is at 1.821220 2.974743 3.201117 ESP Fit Center 3030 is at 1.705349 3.381988 3.201117 ESP Fit Center 3031 is at 1.516619 3.761008 3.201117 ESP Fit Center 3032 is at 1.261458 4.098896 3.201117 ESP Fit Center 3033 is at 0.948555 4.384145 3.201117 ESP Fit Center 3034 is at 0.588566 4.607041 3.201117 ESP Fit Center 3035 is at 0.193749 4.759994 3.201117 ESP Fit Center 3036 is at -0.222451 4.837795 3.201117 ESP Fit Center 3037 is at -0.645859 4.837795 3.201117 ESP Fit Center 3038 is at -1.062059 4.759994 3.201117 ESP Fit Center 3039 is at -1.456876 4.607041 3.201117 ESP Fit Center 3040 is at -1.816866 4.384145 3.201117 ESP Fit Center 3041 is at -2.129768 4.098896 3.201117 ESP Fit Center 3042 is at -2.384929 3.761008 3.201117 ESP Fit Center 3043 is at -2.573659 3.381988 3.201117 ESP Fit Center 3044 is at -2.689530 2.974743 3.201117 ESP Fit Center 3045 is at -2.728597 2.553140 3.201117 ESP Fit Center 3046 is at -2.689530 2.131537 3.201117 ESP Fit Center 3047 is at -2.573659 1.724292 3.201117 ESP Fit Center 3048 is at -2.384929 1.345272 3.201117 ESP Fit Center 3049 is at -2.129768 1.007384 3.201117 ESP Fit Center 3050 is at -1.816866 0.722136 3.201117 ESP Fit Center 3051 is at -1.456876 0.499239 3.201117 ESP Fit Center 3052 is at -1.062059 0.346287 3.201117 ESP Fit Center 3053 is at -0.645859 0.268485 3.201117 ESP Fit Center 3054 is at -0.222451 0.268485 3.201117 ESP Fit Center 3055 is at 0.193749 0.346287 3.201117 ESP Fit Center 3056 is at 0.588566 0.499239 3.201117 ESP Fit Center 3057 is at 0.948555 0.722136 3.201117 ESP Fit Center 3058 is at 1.261458 1.007384 3.201117 ESP Fit Center 3059 is at 1.516619 1.345272 3.201117 ESP Fit Center 3060 is at 1.705349 1.724292 3.201117 ESP Fit Center 3061 is at 1.821220 2.131537 3.201117 ESP Fit Center 3062 is at 2.167998 2.553140 2.926130 ESP Fit Center 3063 is at 2.134301 2.970555 2.926130 ESP Fit Center 3064 is at 2.034082 3.377159 2.926130 ESP Fit Center 3065 is at 1.869937 3.762421 2.926130 ESP Fit Center 3066 is at 1.646117 4.116363 2.926130 ESP Fit Center 3067 is at 1.368420 4.429819 2.926130 ESP Fit Center 3068 is at 1.044036 4.694670 2.926130 ESP Fit Center 3069 is at 0.681369 4.904056 2.926130 ESP Fit Center 3070 is at 0.289809 5.052555 2.926130 ESP Fit Center 3071 is at -0.120500 5.136320 2.926130 ESP Fit Center 3072 is at -0.538933 5.153183 2.926130 ESP Fit Center 3073 is at -0.954652 5.102705 2.926130 ESP Fit Center 3074 is at -1.356891 4.986195 2.926130 ESP Fit Center 3075 is at -1.735231 4.806671 2.926130 ESP Fit Center 3076 is at -2.079875 4.568781 2.926130 ESP Fit Center 3077 is at -2.381894 4.278687 2.926130 ESP Fit Center 3078 is at -2.633469 3.943902 2.926130 ESP Fit Center 3079 is at -2.828082 3.573097 2.926130 ESP Fit Center 3080 is at -2.960694 3.175876 2.926130 ESP Fit Center 3081 is at -3.027870 2.762526 2.926130 ESP Fit Center 3082 is at -3.027870 2.343754 2.926130 ESP Fit Center 3083 is at -2.960694 1.930404 2.926130 ESP Fit Center 3084 is at -2.828082 1.533183 2.926130 ESP Fit Center 3085 is at -2.633469 1.162378 2.926130 ESP Fit Center 3086 is at -2.381894 0.827594 2.926130 ESP Fit Center 3087 is at -2.079875 0.537500 2.926130 ESP Fit Center 3088 is at -1.735231 0.299610 2.926130 ESP Fit Center 3089 is at -1.356891 0.120085 2.926130 ESP Fit Center 3090 is at -0.954652 0.003575 2.926130 ESP Fit Center 3091 is at -0.538933 -0.046902 2.926130 ESP Fit Center 3092 is at -0.120500 -0.030040 2.926130 ESP Fit Center 3093 is at 0.289809 0.053725 2.926130 ESP Fit Center 3094 is at 0.681369 0.202224 2.926130 ESP Fit Center 3095 is at 1.044036 0.411610 2.926130 ESP Fit Center 3096 is at 1.368420 0.676461 2.926130 ESP Fit Center 3097 is at 1.646117 0.989917 2.926130 ESP Fit Center 3098 is at 1.869937 1.343859 2.926130 ESP Fit Center 3099 is at 2.034082 1.729122 2.926130 ESP Fit Center 3100 is at 2.134301 2.135725 2.926130 ESP Fit Center 3101 is at 2.442985 2.553140 2.618419 ESP Fit Center 3102 is at 2.412324 2.972055 2.618419 ESP Fit Center 3103 is at 2.320996 3.382042 2.618419 ESP Fit Center 3104 is at 2.170946 3.774361 2.618419 ESP Fit Center 3105 is at 1.965373 4.140653 2.618419 ESP Fit Center 3106 is at 1.708659 4.473110 2.618419 ESP Fit Center 3107 is at 1.406274 4.764645 2.618419 ESP Fit Center 3108 is at 1.064663 5.009047 2.618419 ESP Fit Center 3109 is at 0.691108 5.201105 2.618419 ESP Fit Center 3110 is at 0.293570 5.336726 2.618419 ESP Fit Center 3111 is at -0.119479 5.413020 2.618419 ESP Fit Center 3112 is at -0.539234 5.428361 2.618419 ESP Fit Center 3113 is at -0.956750 5.382421 2.618419 ESP Fit Center 3114 is at -1.363127 5.276180 2.618419 ESP Fit Center 3115 is at -1.749705 5.111902 2.618419 ESP Fit Center 3116 is at -2.108244 4.893088 2.618419 ESP Fit Center 3117 is at -2.431104 4.624403 2.618419 ESP Fit Center 3118 is at -2.711401 4.311572 2.618419 ESP Fit Center 3119 is at -2.943163 3.961264 2.618419 ESP Fit Center 3120 is at -3.121450 3.580943 2.618419 ESP Fit Center 3121 is at -3.242462 3.178717 2.618419 ESP Fit Center 3122 is at -3.303619 2.763158 2.618419 ESP Fit Center 3123 is at -3.303619 2.343122 2.618419 ESP Fit Center 3124 is at -3.242462 1.927563 2.618419 ESP Fit Center 3125 is at -3.121450 1.525337 2.618419 ESP Fit Center 3126 is at -2.943163 1.145017 2.618419 ESP Fit Center 3127 is at -2.711401 0.794708 2.618419 ESP Fit Center 3128 is at -2.431104 0.481877 2.618419 ESP Fit Center 3129 is at -2.108244 0.213192 2.618419 ESP Fit Center 3130 is at -1.749705 -0.005622 2.618419 ESP Fit Center 3131 is at -1.363127 -0.169899 2.618419 ESP Fit Center 3132 is at -0.956750 -0.276140 2.618419 ESP Fit Center 3133 is at -0.539234 -0.322080 2.618419 ESP Fit Center 3134 is at -0.119479 -0.306740 2.618419 ESP Fit Center 3135 is at 0.293570 -0.230446 2.618419 ESP Fit Center 3136 is at 0.691108 -0.094825 2.618419 ESP Fit Center 3137 is at 1.064663 0.097233 2.618419 ESP Fit Center 3138 is at 1.406274 0.341635 2.618419 ESP Fit Center 3139 is at 1.708659 0.633171 2.618419 ESP Fit Center 3140 is at 1.965373 0.965627 2.618419 ESP Fit Center 3141 is at 2.170946 1.331919 2.618419 ESP Fit Center 3142 is at 2.320996 1.724239 2.618419 ESP Fit Center 3143 is at 2.412324 2.134225 2.618419 ESP Fit Center 3144 is at 2.681790 2.553140 2.281855 ESP Fit Center 3145 is at 2.653988 2.968455 2.281855 ESP Fit Center 3146 is at 2.571078 3.376359 2.281855 ESP Fit Center 3147 is at 2.434539 3.769572 2.281855 ESP Fit Center 3148 is at 2.246809 4.141078 2.281855 ESP Fit Center 3149 is at 2.011237 4.484247 2.281855 ESP Fit Center 3150 is at 1.732026 4.792955 2.281855 ESP Fit Center 3151 is at 1.414160 5.061694 2.281855 ESP Fit Center 3152 is at 1.063311 5.285668 2.281855 ESP Fit Center 3153 is at 0.685740 5.460880 2.281855 ESP Fit Center 3154 is at 0.288184 5.584203 2.281855 ESP Fit Center 3155 is at -0.122262 5.653436 2.281855 ESP Fit Center 3156 is at -0.538274 5.667345 2.281855 ESP Fit Center 3157 is at -0.952428 5.625681 2.281855 ESP Fit Center 3158 is at -1.357333 5.529187 2.281855 ESP Fit Center 3159 is at -1.745765 5.379586 2.281855 ESP Fit Center 3160 is at -2.110790 5.179546 2.281855 ESP Fit Center 3161 is at -2.445896 4.932638 2.281855 ESP Fit Center 3162 is at -2.745102 4.643269 2.281855 ESP Fit Center 3163 is at -3.003070 4.316600 2.281855 ESP Fit Center 3164 is at -3.215195 3.958463 2.281855 ESP Fit Center 3165 is at -3.377692 3.575248 2.281855 ESP Fit Center 3166 is at -3.487662 3.173793 2.281855 ESP Fit Center 3167 is at -3.543142 2.761262 2.281855 ESP Fit Center 3168 is at -3.543142 2.345018 2.281855 ESP Fit Center 3169 is at -3.487662 1.932488 2.281855 ESP Fit Center 3170 is at -3.377692 1.531033 2.281855 ESP Fit Center 3171 is at -3.215195 1.147817 2.281855 ESP Fit Center 3172 is at -2.110790 -0.073266 2.281855 ESP Fit Center 3173 is at -1.745765 -0.273305 2.281855 ESP Fit Center 3174 is at -1.357333 -0.422907 2.281855 ESP Fit Center 3175 is at -0.952428 -0.519401 2.281855 ESP Fit Center 3176 is at 1.732026 0.313325 2.281855 ESP Fit Center 3177 is at 2.011237 0.622034 2.281855 ESP Fit Center 3178 is at 2.246809 0.965203 2.281855 ESP Fit Center 3179 is at 2.434539 1.336709 2.281855 ESP Fit Center 3180 is at 2.571078 1.729922 2.281855 ESP Fit Center 3181 is at 2.653988 2.137825 2.281855 ESP Fit Center 3182 is at 2.881410 2.553140 1.920669 ESP Fit Center 3183 is at 2.855266 2.968691 1.920669 ESP Fit Center 3184 is at 2.777246 3.377688 1.920669 ESP Fit Center 3185 is at 2.648580 3.773681 1.920669 ESP Fit Center 3186 is at 2.471297 4.150426 1.920669 ESP Fit Center 3187 is at 2.248194 4.501981 1.920669 ESP Fit Center 3188 is at 1.982788 4.822801 1.920669 ESP Fit Center 3189 is at 1.679266 5.107827 1.920669 ESP Fit Center 3190 is at 1.342414 5.352565 1.920669 ESP Fit Center 3191 is at 0.977544 5.553153 1.920669 ESP Fit Center 3192 is at 0.590411 5.706430 1.920669 ESP Fit Center 3193 is at 0.187120 5.809978 1.920669 ESP Fit Center 3194 is at -0.225969 5.862163 1.920669 ESP Fit Center 3195 is at -0.642341 5.862163 1.920669 ESP Fit Center 3196 is at -1.055430 5.809978 1.920669 ESP Fit Center 3197 is at -1.458721 5.706430 1.920669 ESP Fit Center 3198 is at -1.845854 5.553153 1.920669 ESP Fit Center 3199 is at -2.210724 5.352565 1.920669 ESP Fit Center 3200 is at -2.547576 5.107827 1.920669 ESP Fit Center 3201 is at -2.851098 4.822801 1.920669 ESP Fit Center 3202 is at -3.116504 4.501981 1.920669 ESP Fit Center 3203 is at -3.339607 4.150426 1.920669 ESP Fit Center 3204 is at -3.516890 3.773681 1.920669 ESP Fit Center 3205 is at -3.645556 3.377688 1.920669 ESP Fit Center 3206 is at -3.723576 2.968691 1.920669 ESP Fit Center 3207 is at -3.749720 2.553140 1.920669 ESP Fit Center 3208 is at -3.723576 2.137590 1.920669 ESP Fit Center 3209 is at -3.645556 1.728593 1.920669 ESP Fit Center 3210 is at 2.248194 0.604300 1.920669 ESP Fit Center 3211 is at 2.471297 0.955854 1.920669 ESP Fit Center 3212 is at 2.648580 1.332599 1.920669 ESP Fit Center 3213 is at 2.777246 1.728593 1.920669 ESP Fit Center 3214 is at 2.855266 2.137590 1.920669 ESP Fit Center 3215 is at 3.039336 2.553140 1.539404 ESP Fit Center 3216 is at 3.014010 2.971823 1.539404 ESP Fit Center 3217 is at 2.938402 3.384401 1.539404 ESP Fit Center 3218 is at 2.813615 3.784857 1.539404 ESP Fit Center 3219 is at 2.641468 4.167352 1.539404 ESP Fit Center 3220 is at 2.424472 4.526308 1.539404 ESP Fit Center 3221 is at 2.165790 4.856491 1.539404 ESP Fit Center 3222 is at 1.869195 5.153085 1.539404 ESP Fit Center 3223 is at 1.539013 5.411767 1.539404 ESP Fit Center 3224 is at 1.180057 5.628763 1.539404 ESP Fit Center 3225 is at 0.797562 5.800910 1.539404 ESP Fit Center 3226 is at 0.397106 5.925697 1.539404 ESP Fit Center 3227 is at -0.015472 6.001305 1.539404 ESP Fit Center 3228 is at -0.434155 6.026631 1.539404 ESP Fit Center 3229 is at -0.852838 6.001305 1.539404 ESP Fit Center 3230 is at -1.265416 5.925697 1.539404 ESP Fit Center 3231 is at -1.665872 5.800910 1.539404 ESP Fit Center 3232 is at -2.048367 5.628763 1.539404 ESP Fit Center 3233 is at -2.407323 5.411767 1.539404 ESP Fit Center 3234 is at -2.737505 5.153085 1.539404 ESP Fit Center 3235 is at -3.034100 4.856491 1.539404 ESP Fit Center 3236 is at -3.292782 4.526308 1.539404 ESP Fit Center 3237 is at -3.509778 4.167352 1.539404 ESP Fit Center 3238 is at -3.681925 3.784857 1.539404 ESP Fit Center 3239 is at -3.806712 3.384401 1.539404 ESP Fit Center 3240 is at -3.882320 2.971823 1.539404 ESP Fit Center 3241 is at -3.907646 2.553140 1.539404 ESP Fit Center 3242 is at 2.813615 1.321423 1.539404 ESP Fit Center 3243 is at 2.938402 1.721879 1.539404 ESP Fit Center 3244 is at 3.014010 2.134457 1.539404 ESP Fit Center 3245 is at 3.153580 2.553140 1.142854 ESP Fit Center 3246 is at 3.129321 2.969651 1.142854 ESP Fit Center 3247 is at 3.056872 3.380529 1.142854 ESP Fit Center 3248 is at 2.937213 3.780218 1.142854 ESP Fit Center 3249 is at 2.771962 4.163313 1.142854 ESP Fit Center 3250 is at 2.563354 4.524633 1.142854 ESP Fit Center 3251 is at 2.314209 4.859292 1.142854 ESP Fit Center 3252 is at 2.027898 5.162764 1.142854 ESP Fit Center 3253 is at 1.708292 5.430945 1.142854 ESP Fit Center 3254 is at 1.359712 5.660210 1.142854 ESP Fit Center 3255 is at 0.986874 5.847456 1.142854 ESP Fit Center 3256 is at 0.594819 5.990152 1.142854 ESP Fit Center 3257 is at 0.188849 6.086369 1.142854 ESP Fit Center 3258 is at -0.225547 6.134805 1.142854 ESP Fit Center 3259 is at -0.642763 6.134805 1.142854 ESP Fit Center 3260 is at -1.057159 6.086369 1.142854 ESP Fit Center 3261 is at -1.463129 5.990152 1.142854 ESP Fit Center 3262 is at -1.855184 5.847456 1.142854 ESP Fit Center 3263 is at -2.228022 5.660210 1.142854 ESP Fit Center 3264 is at -2.576602 5.430945 1.142854 ESP Fit Center 3265 is at -2.896208 5.162764 1.142854 ESP Fit Center 3266 is at -3.182519 4.859292 1.142854 ESP Fit Center 3267 is at -3.431664 4.524633 1.142854 ESP Fit Center 3268 is at -3.640272 4.163313 1.142854 ESP Fit Center 3269 is at -3.805523 3.780218 1.142854 ESP Fit Center 3270 is at -3.925182 3.380529 1.142854 ESP Fit Center 3271 is at -3.997631 2.969651 1.142854 ESP Fit Center 3272 is at 3.056872 1.725752 1.142854 ESP Fit Center 3273 is at 3.129321 2.136630 1.142854 ESP Fit Center 3274 is at 3.222706 2.553140 0.736006 ESP Fit Center 3275 is at 3.198870 2.969991 0.736006 ESP Fit Center 3276 is at 3.127671 3.381407 0.736006 ESP Fit Center 3277 is at 3.010039 3.782026 0.736006 ESP Fit Center 3278 is at 2.847506 4.166624 0.736006 ESP Fit Center 3279 is at 2.642192 4.530188 0.736006 ESP Fit Center 3280 is at 2.396773 4.867979 0.736006 ESP Fit Center 3281 is at 2.114449 5.175591 0.736006 ESP Fit Center 3282 is at 1.798899 5.449017 0.736006 ESP Fit Center 3283 is at 1.454239 5.684689 0.736006 ESP Fit Center 3284 is at 1.084960 5.879538 0.736006 ESP Fit Center 3285 is at 0.695877 6.031022 0.736006 ESP Fit Center 3286 is at 0.292063 6.137166 0.736006 ESP Fit Center 3287 is at -0.121219 6.196587 0.736006 ESP Fit Center 3288 is at -0.538581 6.208510 0.736006 ESP Fit Center 3289 is at -0.954581 6.172780 0.736006 ESP Fit Center 3290 is at -1.363796 6.089862 0.736006 ESP Fit Center 3291 is at -1.760892 5.960837 0.736006 ESP Fit Center 3292 is at -2.140693 5.787388 0.736006 ESP Fit Center 3293 is at -2.498245 5.571776 0.736006 ESP Fit Center 3294 is at -2.828890 5.316811 0.736006 ESP Fit Center 3295 is at -3.128315 5.025818 0.736006 ESP Fit Center 3296 is at -3.392618 4.702589 0.736006 ESP Fit Center 3297 is at -3.618352 4.351339 0.736006 ESP Fit Center 3298 is at -3.802576 3.976647 0.736006 ESP Fit Center 3299 is at -3.942887 3.583397 0.736006 ESP Fit Center 3300 is at -4.037457 3.176716 0.736006 ESP Fit Center 3301 is at 3.198870 2.136289 0.736006 ESP Fit Center 3302 is at 3.245845 2.553140 0.323977 ESP Fit Center 3303 is at 3.222706 2.965169 0.323977 ESP Fit Center 3304 is at 3.153580 3.372017 0.323977 ESP Fit Center 3305 is at 3.039336 3.768567 0.323977 ESP Fit Center 3306 is at 2.881410 4.149832 0.323977 ESP Fit Center 3307 is at 2.681790 4.511018 0.323977 ESP Fit Center 3308 is at 2.442985 4.847583 0.323977 ESP Fit Center 3309 is at 2.167998 5.155293 0.323977 ESP Fit Center 3310 is at 1.860287 5.430280 0.323977 ESP Fit Center 3311 is at 1.523723 5.669085 0.323977 ESP Fit Center 3312 is at 1.162537 5.868706 0.323977 ESP Fit Center 3313 is at 0.781272 6.026631 0.323977 ESP Fit Center 3314 is at 0.384722 6.140875 0.323977 ESP Fit Center 3315 is at -0.022126 6.210001 0.323977 ESP Fit Center 3316 is at -0.434155 6.233140 0.323977 ESP Fit Center 3317 is at -0.846184 6.210001 0.323977 ESP Fit Center 3318 is at -1.253032 6.140875 0.323977 ESP Fit Center 3319 is at -1.649582 6.026631 0.323977 ESP Fit Center 3320 is at -2.030847 5.868706 0.323977 ESP Fit Center 3321 is at -2.392033 5.669085 0.323977 ESP Fit Center 3322 is at -2.728597 5.430280 0.323977 ESP Fit Center 3323 is at -3.036308 5.155293 0.323977 ESP Fit Center 3324 is at -3.311295 4.847583 0.323977 ESP Fit Center 3325 is at -3.550100 4.511018 0.323977 ESP Fit Center 3326 is at -3.749720 4.149832 0.323977 ESP Fit Center 3327 is at -3.907646 3.768567 0.323977 ESP Fit Center 3328 is at -4.021890 3.372017 0.323977 ESP Fit Center 3329 is at 3.198870 2.969991 -0.088053 ESP Fit Center 3330 is at 3.127671 3.381407 -0.088053 ESP Fit Center 3331 is at 3.010039 3.782026 -0.088053 ESP Fit Center 3332 is at 2.847506 4.166624 -0.088053 ESP Fit Center 3333 is at 2.642192 4.530188 -0.088053 ESP Fit Center 3334 is at 2.396773 4.867979 -0.088053 ESP Fit Center 3335 is at 2.114449 5.175591 -0.088053 ESP Fit Center 3336 is at 1.798899 5.449017 -0.088053 ESP Fit Center 3337 is at 1.454239 5.684689 -0.088053 ESP Fit Center 3338 is at 1.084960 5.879538 -0.088053 ESP Fit Center 3339 is at 0.695877 6.031022 -0.088053 ESP Fit Center 3340 is at 0.292063 6.137166 -0.088053 ESP Fit Center 3341 is at -0.121219 6.196587 -0.088053 ESP Fit Center 3342 is at -0.538581 6.208510 -0.088053 ESP Fit Center 3343 is at -0.954581 6.172780 -0.088053 ESP Fit Center 3344 is at -1.363796 6.089862 -0.088053 ESP Fit Center 3345 is at -1.760892 5.960837 -0.088053 ESP Fit Center 3346 is at -2.140693 5.787388 -0.088053 ESP Fit Center 3347 is at -2.498245 5.571776 -0.088053 ESP Fit Center 3348 is at -2.828890 5.316811 -0.088053 ESP Fit Center 3349 is at -3.128315 5.025818 -0.088053 ESP Fit Center 3350 is at -3.392618 4.702589 -0.088053 ESP Fit Center 3351 is at -3.618352 4.351339 -0.088053 ESP Fit Center 3352 is at -3.802576 3.976647 -0.088053 ESP Fit Center 3353 is at -3.942887 3.583397 -0.088053 ESP Fit Center 3354 is at 3.129321 2.969651 -0.494900 ESP Fit Center 3355 is at 3.056872 3.380529 -0.494900 ESP Fit Center 3356 is at 2.937213 3.780218 -0.494900 ESP Fit Center 3357 is at 2.771962 4.163313 -0.494900 ESP Fit Center 3358 is at 2.563354 4.524633 -0.494900 ESP Fit Center 3359 is at 2.314209 4.859292 -0.494900 ESP Fit Center 3360 is at 2.027898 5.162764 -0.494900 ESP Fit Center 3361 is at 1.708292 5.430945 -0.494900 ESP Fit Center 3362 is at 1.359712 5.660210 -0.494900 ESP Fit Center 3363 is at 0.986874 5.847456 -0.494900 ESP Fit Center 3364 is at 0.594819 5.990152 -0.494900 ESP Fit Center 3365 is at 0.188849 6.086369 -0.494900 ESP Fit Center 3366 is at -0.225547 6.134805 -0.494900 ESP Fit Center 3367 is at -0.642763 6.134805 -0.494900 ESP Fit Center 3368 is at -1.057159 6.086369 -0.494900 ESP Fit Center 3369 is at -1.463129 5.990152 -0.494900 ESP Fit Center 3370 is at -1.855184 5.847456 -0.494900 ESP Fit Center 3371 is at -2.228022 5.660210 -0.494900 ESP Fit Center 3372 is at -2.576602 5.430945 -0.494900 ESP Fit Center 3373 is at -2.896208 5.162764 -0.494900 ESP Fit Center 3374 is at -3.182519 4.859292 -0.494900 ESP Fit Center 3375 is at -3.431664 4.524633 -0.494900 ESP Fit Center 3376 is at -3.640272 4.163313 -0.494900 ESP Fit Center 3377 is at -3.805523 3.780218 -0.494900 ESP Fit Center 3378 is at -3.925182 3.380529 -0.494900 ESP Fit Center 3379 is at 3.014010 2.971823 -0.891450 ESP Fit Center 3380 is at 2.938402 3.384401 -0.891450 ESP Fit Center 3381 is at 2.813615 3.784857 -0.891450 ESP Fit Center 3382 is at 2.641468 4.167352 -0.891450 ESP Fit Center 3383 is at 2.424472 4.526308 -0.891450 ESP Fit Center 3384 is at 2.165790 4.856491 -0.891450 ESP Fit Center 3385 is at 1.869195 5.153085 -0.891450 ESP Fit Center 3386 is at 1.539013 5.411767 -0.891450 ESP Fit Center 3387 is at 1.180057 5.628763 -0.891450 ESP Fit Center 3388 is at 0.797562 5.800910 -0.891450 ESP Fit Center 3389 is at 0.397106 5.925697 -0.891450 ESP Fit Center 3390 is at -0.015472 6.001305 -0.891450 ESP Fit Center 3391 is at -0.434155 6.026631 -0.891450 ESP Fit Center 3392 is at -0.852838 6.001305 -0.891450 ESP Fit Center 3393 is at -1.265416 5.925697 -0.891450 ESP Fit Center 3394 is at -1.665872 5.800910 -0.891450 ESP Fit Center 3395 is at -2.048367 5.628763 -0.891450 ESP Fit Center 3396 is at -2.407323 5.411767 -0.891450 ESP Fit Center 3397 is at -2.737505 5.153085 -0.891450 ESP Fit Center 3398 is at -3.034100 4.856491 -0.891450 ESP Fit Center 3399 is at -3.292782 4.526308 -0.891450 ESP Fit Center 3400 is at -3.509778 4.167352 -0.891450 ESP Fit Center 3401 is at -3.681925 3.784857 -0.891450 ESP Fit Center 3402 is at -3.806712 3.384401 -0.891450 ESP Fit Center 3403 is at 2.855266 2.968691 -1.272715 ESP Fit Center 3404 is at 2.777246 3.377688 -1.272715 ESP Fit Center 3405 is at 2.648580 3.773681 -1.272715 ESP Fit Center 3406 is at 2.471297 4.150426 -1.272715 ESP Fit Center 3407 is at 2.248194 4.501981 -1.272715 ESP Fit Center 3408 is at 1.982788 4.822801 -1.272715 ESP Fit Center 3409 is at 1.679266 5.107827 -1.272715 ESP Fit Center 3410 is at 1.342414 5.352565 -1.272715 ESP Fit Center 3411 is at 0.977544 5.553153 -1.272715 ESP Fit Center 3412 is at 0.590411 5.706430 -1.272715 ESP Fit Center 3413 is at 0.187120 5.809978 -1.272715 ESP Fit Center 3414 is at -0.225969 5.862163 -1.272715 ESP Fit Center 3415 is at -0.642341 5.862163 -1.272715 ESP Fit Center 3416 is at -1.055430 5.809978 -1.272715 ESP Fit Center 3417 is at -1.458721 5.706430 -1.272715 ESP Fit Center 3418 is at -1.845854 5.553153 -1.272715 ESP Fit Center 3419 is at -2.210724 5.352565 -1.272715 ESP Fit Center 3420 is at -2.547576 5.107827 -1.272715 ESP Fit Center 3421 is at -2.851098 4.822801 -1.272715 ESP Fit Center 3422 is at -3.116504 4.501981 -1.272715 ESP Fit Center 3423 is at -3.339607 4.150426 -1.272715 ESP Fit Center 3424 is at -3.516890 3.773681 -1.272715 ESP Fit Center 3425 is at -3.645556 3.377688 -1.272715 ESP Fit Center 3426 is at -3.723576 2.968691 -1.272715 ESP Fit Center 3427 is at 2.653988 2.968455 -1.633901 ESP Fit Center 3428 is at 2.571078 3.376359 -1.633901 ESP Fit Center 3429 is at 2.434539 3.769572 -1.633901 ESP Fit Center 3430 is at 2.246809 4.141078 -1.633901 ESP Fit Center 3431 is at 2.011237 4.484247 -1.633901 ESP Fit Center 3432 is at 1.732026 4.792955 -1.633901 ESP Fit Center 3433 is at 1.414160 5.061694 -1.633901 ESP Fit Center 3434 is at 1.063311 5.285668 -1.633901 ESP Fit Center 3435 is at 0.685740 5.460880 -1.633901 ESP Fit Center 3436 is at 0.288184 5.584203 -1.633901 ESP Fit Center 3437 is at -0.122262 5.653436 -1.633901 ESP Fit Center 3438 is at -0.538274 5.667345 -1.633901 ESP Fit Center 3439 is at -0.952428 5.625681 -1.633901 ESP Fit Center 3440 is at -1.357333 5.529187 -1.633901 ESP Fit Center 3441 is at -1.745765 5.379586 -1.633901 ESP Fit Center 3442 is at -2.110790 5.179546 -1.633901 ESP Fit Center 3443 is at -2.445896 4.932638 -1.633901 ESP Fit Center 3444 is at -2.745102 4.643269 -1.633901 ESP Fit Center 3445 is at -3.003070 4.316600 -1.633901 ESP Fit Center 3446 is at -3.215195 3.958463 -1.633901 ESP Fit Center 3447 is at -3.377692 3.575248 -1.633901 ESP Fit Center 3448 is at -3.487662 3.173793 -1.633901 ESP Fit Center 3449 is at -3.543142 2.761262 -1.633901 ESP Fit Center 3450 is at 2.412324 2.972055 -1.970466 ESP Fit Center 3451 is at 2.320996 3.382042 -1.970466 ESP Fit Center 3452 is 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2.763158 -1.970466 ESP Fit Center 3471 is at -3.303619 2.343122 -1.970466 ESP Fit Center 3472 is at -3.242462 1.927563 -1.970466 ESP Fit Center 3473 is at 2.167998 2.553140 -2.278176 ESP Fit Center 3474 is at 2.134301 2.970555 -2.278176 ESP Fit Center 3475 is at 2.034082 3.377159 -2.278176 ESP Fit Center 3476 is at 1.869937 3.762421 -2.278176 ESP Fit Center 3477 is at 1.646117 4.116363 -2.278176 ESP Fit Center 3478 is at 1.368420 4.429819 -2.278176 ESP Fit Center 3479 is at 1.044036 4.694670 -2.278176 ESP Fit Center 3480 is at 0.681369 4.904056 -2.278176 ESP Fit Center 3481 is at 0.289809 5.052555 -2.278176 ESP Fit Center 3482 is at -0.120500 5.136320 -2.278176 ESP Fit Center 3483 is at -0.538933 5.153183 -2.278176 ESP Fit Center 3484 is at -0.954652 5.102705 -2.278176 ESP Fit Center 3485 is at -1.356891 4.986195 -2.278176 ESP Fit Center 3486 is at -1.735231 4.806671 -2.278176 ESP Fit Center 3487 is at -2.079875 4.568781 -2.278176 ESP Fit Center 3488 is at -2.381894 4.278687 -2.278176 ESP Fit Center 3489 is at -2.633469 3.943902 -2.278176 ESP Fit Center 3490 is at -2.828082 3.573097 -2.278176 ESP Fit Center 3491 is at -2.960694 3.175876 -2.278176 ESP Fit Center 3492 is at -3.027870 2.762526 -2.278176 ESP Fit Center 3493 is at -3.027870 2.343754 -2.278176 ESP Fit Center 3494 is at -2.960694 1.930404 -2.278176 ESP Fit Center 3495 is at -2.828082 1.533183 -2.278176 ESP Fit Center 3496 is at -1.356891 0.120085 -2.278176 ESP Fit Center 3497 is at 1.860287 2.553140 -2.553163 ESP Fit Center 3498 is at 1.821220 2.974743 -2.553163 ESP Fit Center 3499 is at 1.705349 3.381988 -2.553163 ESP Fit Center 3500 is at 1.516619 3.761008 -2.553163 ESP Fit Center 3501 is at 1.261458 4.098896 -2.553163 ESP Fit Center 3502 is at 0.948555 4.384145 -2.553163 ESP Fit Center 3503 is at 0.588566 4.607041 -2.553163 ESP Fit Center 3504 is at 0.193749 4.759994 -2.553163 ESP Fit Center 3505 is at -0.222451 4.837795 -2.553163 ESP Fit Center 3506 is at -0.645859 4.837795 -2.553163 ESP Fit Center 3507 is at -1.062059 4.759994 -2.553163 ESP Fit Center 3508 is at -1.456876 4.607041 -2.553163 ESP Fit Center 3509 is at -1.816866 4.384145 -2.553163 ESP Fit Center 3510 is at -2.129768 4.098896 -2.553163 ESP Fit Center 3511 is at -2.384929 3.761008 -2.553163 ESP Fit Center 3512 is at -2.573659 3.381988 -2.553163 ESP Fit Center 3513 is at -2.689530 2.974743 -2.553163 ESP Fit Center 3514 is at -2.728597 2.553140 -2.553163 ESP Fit Center 3515 is at -2.689530 2.131537 -2.553163 ESP Fit Center 3516 is at -2.573659 1.724292 -2.553163 ESP Fit Center 3517 is at -2.384929 1.345272 -2.553163 ESP Fit Center 3518 is at -2.129768 1.007384 -2.553163 ESP Fit Center 3519 is at -1.816866 0.722136 -2.553163 ESP Fit Center 3520 is at -1.456876 0.499239 -2.553163 ESP Fit Center 3521 is at -1.062059 0.346287 -2.553163 ESP Fit Center 3522 is at -0.645859 0.268485 -2.553163 ESP Fit Center 3523 is at -0.222451 0.268485 -2.553163 ESP Fit Center 3524 is at 0.193749 0.346287 -2.553163 ESP Fit Center 3525 is at 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Center 3562 is at 0.364191 3.935916 -2.991589 ESP Fit Center 3563 is at -0.020901 4.095426 -2.991589 ESP Fit Center 3564 is at -0.434155 4.149832 -2.991589 ESP Fit Center 3565 is at -0.847409 4.095426 -2.991589 ESP Fit Center 3566 is at -1.232501 3.935916 -2.991589 ESP Fit Center 3567 is at -1.563187 3.682172 -2.991589 ESP Fit Center 3568 is at -1.816931 3.351486 -2.991589 ESP Fit Center 3569 is at -1.976441 2.966394 -2.991589 ESP Fit Center 3570 is at -2.030847 2.553140 -2.991589 ESP Fit Center 3571 is at -1.976441 2.139886 -2.991589 ESP Fit Center 3572 is at -1.816931 1.754794 -2.991589 ESP Fit Center 3573 is at -1.563187 1.424108 -2.991589 ESP Fit Center 3574 is at -1.232501 1.170364 -2.991589 ESP Fit Center 3575 is at -0.847409 1.010854 -2.991589 ESP Fit Center 3576 is at -0.434155 0.956448 -2.991589 ESP Fit Center 3577 is at -0.020901 1.010854 -2.991589 ESP Fit Center 3578 is at 0.364191 1.170364 -2.991589 ESP Fit Center 3579 is at 0.694877 1.424108 -2.991589 ESP Fit Center 3580 is at 0.948621 1.754794 -2.991589 ESP Fit Center 3581 is at 1.108131 2.139886 -2.991589 ESP Fit Center 3582 is at 0.781272 2.553140 -3.149514 ESP Fit Center 3583 is at 0.707973 2.968841 -3.149514 ESP Fit Center 3584 is at 0.496916 3.334402 -3.149514 ESP Fit Center 3585 is at 0.173558 3.605731 -3.149514 ESP Fit Center 3586 is at -0.223098 3.750102 -3.149514 ESP Fit Center 3587 is at -0.645212 3.750102 -3.149514 ESP Fit Center 3588 is at -1.041868 3.605731 -3.149514 ESP Fit Center 3589 is at -1.365226 3.334402 -3.149514 ESP Fit Center 3590 is at -1.576283 2.968841 -3.149514 ESP Fit Center 3591 is at -1.649582 2.553140 -3.149514 ESP Fit Center 3592 is at -1.576283 2.137440 -3.149514 ESP Fit Center 3593 is at -1.365226 1.771879 -3.149514 ESP Fit Center 3594 is at -1.041868 1.500550 -3.149514 ESP Fit Center 3595 is at -0.645212 1.356178 -3.149514 ESP Fit Center 3596 is at -0.223098 1.356178 -3.149514 ESP Fit Center 3597 is at 0.173558 1.500550 -3.149514 ESP Fit Center 3598 is at 0.496916 1.771879 -3.149514 ESP Fit Center 3599 is at 0.707973 2.137440 -3.149514 ESP Fit Center 3600 is at 0.384722 2.553140 -3.263758 ESP Fit Center 3601 is at 0.275013 2.962579 -3.263758 ESP Fit Center 3602 is at -0.024716 3.262308 -3.263758 ESP Fit Center 3603 is at -0.434155 3.372017 -3.263758 ESP Fit Center 3604 is at -0.843594 3.262308 -3.263758 ESP Fit Center 3605 is at -1.143323 2.962579 -3.263758 ESP Fit Center 3606 is at -1.253032 2.553140 -3.263758 ESP Fit Center 3607 is at -1.143323 2.143702 -3.263758 ESP Fit Center 3608 is at -0.843594 1.843972 -3.263758 ESP Fit Center 3609 is at -0.434155 1.734263 -3.263758 ESP Fit Center 3610 is at -0.024716 1.843972 -3.263758 ESP Fit Center 3611 is at 0.275013 2.143702 -3.263758 ESP Fit Center 3612 is at -0.022126 2.553140 -3.332884 ESP Fit Center 3613 is at -0.228140 2.909968 -3.332884 ESP Fit Center 3614 is at -0.640170 2.909968 -3.332884 ESP Fit Center 3615 is at -0.846184 2.553140 -3.332884 ESP Fit Center 3616 is at -0.640170 2.196312 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Fit Center 3635 is at -4.934091 -1.214278 3.454229 ESP Fit Center 3636 is at -4.517563 -1.102670 3.454229 ESP Fit Center 3637 is at -4.212643 -0.797750 3.454229 ESP Fit Center 3638 is at -3.736991 -0.381222 3.225486 ESP Fit Center 3639 is at -3.809185 0.028211 3.225486 ESP Fit Center 3640 is at -4.017059 0.388260 3.225486 ESP Fit Center 3641 is at -4.335541 0.655498 3.225486 ESP Fit Center 3642 is at -4.726217 0.797692 3.225486 ESP Fit Center 3643 is at -5.141965 0.797692 3.225486 ESP Fit Center 3644 is at -5.532641 0.655498 3.225486 ESP Fit Center 3645 is at -5.851123 0.388260 3.225486 ESP Fit Center 3646 is at -6.058997 0.028211 3.225486 ESP Fit Center 3647 is at -6.131191 -0.381222 3.225486 ESP Fit Center 3648 is at -6.058997 -0.790654 3.225486 ESP Fit Center 3649 is at -4.017059 -1.150703 3.225486 ESP Fit Center 3650 is at -3.809185 -0.790654 3.225486 ESP Fit Center 3651 is at -3.432975 -0.381222 2.921470 ESP Fit Center 3652 is at -3.493780 0.041692 2.921470 ESP Fit Center 3653 is 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2.557426 ESP Fit Center 3672 is at -5.142603 1.336026 2.557426 ESP Fit Center 3673 is at -5.547508 1.236226 2.557426 ESP Fit Center 3674 is at -5.916764 1.042425 2.557426 ESP Fit Center 3675 is at -6.228910 0.765888 2.557426 ESP Fit Center 3676 is at -6.465806 0.422684 2.557426 ESP Fit Center 3677 is at -6.613685 0.032761 2.557426 ESP Fit Center 3678 is at -3.254497 -0.795204 2.557426 ESP Fit Center 3679 is at -3.062229 -0.381222 2.151609 ESP Fit Center 3680 is at -3.470611 0.785865 2.151609 ESP Fit Center 3681 is at -3.767004 1.082259 2.151609 ESP Fit Center 3682 is at -4.121921 1.305267 2.151609 ESP Fit Center 3683 is at -4.517563 1.443708 2.151609 ESP Fit Center 3684 is at -4.934091 1.490640 2.151609 ESP Fit Center 3685 is at -5.350619 1.443708 2.151609 ESP Fit Center 3686 is at -5.746261 1.305267 2.151609 ESP Fit Center 3687 is at -6.101178 1.082259 2.151609 ESP Fit Center 3688 is at -6.397571 0.785865 2.151609 ESP Fit Center 3689 is at -6.620580 0.430949 2.151609 ESP Fit Center 3690 is at -4.034747 1.315121 1.724369 ESP Fit Center 3691 is at -4.420437 1.468794 1.724369 ESP Fit Center 3692 is at -4.830144 1.535963 1.724369 ESP Fit Center 3693 is at -5.244712 1.513485 1.724369 ESP Fit Center 3694 is at -5.644756 1.402414 1.724369 ESP Fit Center 3695 is at -6.011570 1.207941 1.724369 ESP Fit Center 3696 is at -6.328002 0.939161 1.724369 ESP Fit Center 3697 is at -6.579257 0.608642 1.724369 ESP Fit Center 3698 is at -4.934091 1.490640 1.297129 ESP Fit Center 3699 is at -5.350619 1.443708 1.297129 ESP Fit Center 3700 is at -5.746261 1.305267 1.297129 ESP Fit Center 3701 is at -6.101178 1.082259 1.297129 ESP Fit Center 3702 is at -6.657864 0.837746 0.815118 ESP Fit Center 3703 is at -6.534966 1.457937 0.586374 ESP Fit Center 3704 is at -6.853448 1.190699 0.586374 ESP Fit Center 3705 is at -7.061323 0.830650 0.586374 ESP Fit Center 3706 is at -7.133517 0.421218 0.586374 ESP Fit Center 3707 is at -6.560002 1.786681 0.282358 ESP Fit Center 3708 is at -6.919438 1.555686 0.282358 ESP Fit Center 3709 is at -7.199236 1.232783 0.282358 ESP Fit Center 3710 is at -7.376727 0.844131 0.282358 ESP Fit Center 3711 is at -7.437533 0.421218 0.282358 ESP Fit Center 3712 is at -6.549833 2.038665 -0.081686 ESP Fit Center 3713 is at -6.919089 1.844865 -0.081686 ESP Fit Center 3714 is at -7.231235 1.568327 -0.081686 ESP Fit Center 3715 is at -7.468131 1.225124 -0.081686 ESP Fit Center 3716 is at -7.616010 0.835201 -0.081686 ESP Fit Center 3717 is at -7.666276 0.421218 -0.081686 ESP Fit Center 3718 is at -7.616010 0.007235 -0.081686 ESP Fit Center 3719 is at -6.748586 2.107707 -0.487502 ESP Fit Center 3720 is at -7.103503 1.884698 -0.487502 ESP Fit Center 3721 is at -7.399896 1.588305 -0.487502 ESP Fit Center 3722 is at -7.622905 1.233388 -0.487502 ESP Fit Center 3723 is at -7.761346 0.837746 -0.487502 ESP Fit Center 3724 is at -7.808278 0.421218 -0.487502 ESP Fit Center 3725 is at -7.761346 0.004690 -0.487502 ESP Fit Center 3726 is at -7.622905 -0.390952 -0.487502 ESP Fit Center 3727 is at -6.647081 2.204853 -0.914742 ESP Fit Center 3728 is at -7.013895 2.010381 -0.914742 ESP Fit Center 3729 is at -7.330327 1.741601 -0.914742 ESP Fit Center 3730 is at -7.581582 1.411081 -0.914742 ESP Fit Center 3731 is at -7.755910 1.034277 -0.914742 ESP Fit Center 3732 is at -7.845161 0.628806 -0.914742 ESP Fit Center 3733 is at -7.845161 0.213629 -0.914742 ESP Fit Center 3734 is at -7.755910 -0.191841 -0.914742 ESP Fit Center 3735 is at -7.581582 -0.568646 -0.914742 ESP Fit Center 3736 is at -7.330327 -0.899165 -0.914742 ESP Fit Center 3737 is at -7.013895 -1.167945 -0.914742 ESP Fit Center 3738 is at -6.352944 2.246148 -1.341983 ESP Fit Center 3739 is at -6.748586 2.107707 -1.341983 ESP Fit Center 3740 is at -7.103503 1.884698 -1.341983 ESP Fit Center 3741 is at -7.399896 1.588305 -1.341983 ESP Fit Center 3742 is at -7.622905 1.233388 -1.341983 ESP Fit Center 3743 is at -7.761346 0.837746 -1.341983 ESP Fit Center 3744 is at -7.808278 0.421218 -1.341983 ESP Fit Center 3745 is at -7.761346 0.004690 -1.341983 ESP Fit Center 3746 is at -7.622905 -0.390952 -1.341983 ESP Fit Center 3747 is at -7.399896 -0.745869 -1.341983 ESP Fit Center 3748 is at -7.103503 -1.042262 -1.341983 ESP Fit Center 3749 is at -6.748586 -1.265271 -1.341983 ESP Fit Center 3750 is at -6.549833 2.038665 -1.747799 ESP Fit Center 3751 is at -6.919089 1.844865 -1.747799 ESP Fit Center 3752 is at -7.231235 1.568327 -1.747799 ESP Fit Center 3753 is at -7.468131 1.225124 -1.747799 ESP Fit Center 3754 is at -7.616010 0.835201 -1.747799 ESP Fit Center 3755 is at -7.666276 0.421218 -1.747799 ESP Fit Center 3756 is at -7.616010 0.007235 -1.747799 ESP Fit Center 3757 is at -7.468131 -0.382688 -1.747799 ESP Fit Center 3758 is at -7.231235 -0.725892 -1.747799 ESP Fit Center 3759 is at -6.919089 -1.002429 -1.747799 ESP Fit Center 3760 is at -6.549833 -1.196230 -1.747799 ESP Fit Center 3761 is at -6.150047 1.907055 -2.111843 ESP Fit Center 3762 is at -6.560002 1.786681 -2.111843 ESP Fit Center 3763 is at -6.919438 1.555686 -2.111843 ESP Fit Center 3764 is at -7.199236 1.232783 -2.111843 ESP Fit Center 3765 is at -7.376727 0.844131 -2.111843 ESP Fit Center 3766 is at -7.437533 0.421218 -2.111843 ESP Fit Center 3767 is at -7.376727 -0.001695 -2.111843 ESP Fit Center 3768 is at -7.199236 -0.390347 -2.111843 ESP Fit Center 3769 is at -6.919438 -0.713250 -2.111843 ESP Fit Center 3770 is at -6.560002 -0.944246 -2.111843 ESP Fit Center 3771 is at -6.144290 1.600132 -2.415859 ESP Fit Center 3772 is at -6.534966 1.457937 -2.415859 ESP Fit Center 3773 is at -6.853448 1.190699 -2.415859 ESP Fit Center 3774 is at -7.061323 0.830650 -2.415859 ESP Fit Center 3775 is at -7.133517 0.421218 -2.415859 ESP Fit Center 3776 is at -7.061323 0.011785 -2.415859 ESP Fit Center 3777 is at -6.853448 -0.348263 -2.415859 ESP Fit Center 3778 is at -6.534966 -0.615501 -2.415859 ESP Fit Center 3779 is at -6.144290 -0.757696 -2.415859 ESP Fit Center 3780 is at -6.352944 1.142666 -2.644603 ESP Fit Center 3781 is at -6.657864 0.837746 -2.644603 ESP Fit Center 3782 is at -6.769473 0.421218 -2.644603 ESP Fit Center 3783 is at -6.657864 0.004690 -2.644603 ESP Fit Center 3784 is at -6.352944 -0.300230 -2.644603 ESP Fit Center 3785 is at -5.936416 -0.411839 -2.644603 ESP Fit Center 3786 is at -6.150036 0.791219 -2.786604 ESP Fit Center 3787 is at -6.363656 0.421218 -2.786604 ESP Fit Center 3788 is at -6.150036 0.051217 -2.786604 ESP Fit Center 3789 is at -5.936416 0.421218 -2.834742 ESP Fit Center 3790 is at 1.738388 -2.316612 2.769433 ESP Fit Center 3791 is at 2.149987 -2.316612 2.731293 ESP Fit Center 3792 is at 1.944187 -1.960157 2.731293 ESP Fit Center 3793 is at 1.532588 -1.960157 2.731293 ESP Fit Center 3794 is at 1.326789 -2.316612 2.731293 ESP Fit Center 3795 is at 1.532588 -2.673067 2.731293 ESP Fit Center 3796 is at 1.944187 -2.673067 2.731293 ESP Fit Center 3797 is at 2.547569 -2.316612 2.618171 ESP Fit Center 3798 is at 2.439159 -1.912021 2.618171 ESP Fit Center 3799 is at 2.142978 -1.615840 2.618171 ESP Fit Center 3800 is at 1.738388 -1.507430 2.618171 ESP Fit Center 3801 is at 1.333797 -1.615840 2.618171 ESP Fit Center 3802 is at 1.037616 -1.912021 2.618171 ESP Fit Center 3803 is at 0.929206 -2.316612 2.618171 ESP Fit Center 3804 is at 1.037616 -2.721202 2.618171 ESP Fit Center 3805 is at 1.333797 -3.017383 2.618171 ESP Fit Center 3806 is at 1.738388 -3.125793 2.618171 ESP Fit Center 3807 is at 2.142978 -3.017383 2.618171 ESP Fit Center 3808 is at 2.439159 -2.721202 2.618171 ESP Fit Center 3809 is at 1.027756 -1.375583 2.433920 ESP Fit Center 3810 is at 0.735805 -1.695839 2.433920 ESP Fit Center 3811 is at 0.579258 -2.099933 2.433920 ESP Fit Center 3812 is at 0.579258 -2.533291 2.433920 ESP Fit Center 3813 is at 0.735805 -2.937385 2.433920 ESP Fit Center 3814 is at 1.027756 -3.257640 2.433920 ESP Fit Center 3815 is at 1.415682 -3.450804 2.433920 ESP Fit Center 3816 is at 1.847191 -3.490789 2.433920 ESP Fit Center 3817 is at 2.264006 -3.372195 2.433920 ESP Fit Center 3818 is at 2.609833 -3.111039 2.433920 ESP Fit Center 3819 is at 0.468870 -1.500742 2.184813 ESP Fit Center 3820 is at 0.290438 -1.891455 2.184813 ESP Fit Center 3821 is at 0.229309 -2.316612 2.184813 ESP Fit Center 3822 is at 0.290438 -2.741768 2.184813 ESP Fit Center 3823 is at 0.468870 -3.132481 2.184813 ESP Fit Center 3824 is at 0.750151 -3.457097 2.184813 ESP Fit Center 3825 is at 1.111494 -3.689318 2.184813 ESP Fit Center 3826 is at 1.523623 -3.810330 2.184813 ESP Fit Center 3827 is at 1.953152 -3.810330 2.184813 ESP Fit Center 3828 is at 2.365281 -3.689318 2.184813 ESP Fit Center 3829 is at 2.726624 -3.457097 2.184813 ESP Fit Center 3830 is at -0.037084 -2.524135 1.879335 ESP Fit Center 3831 is at 0.058632 -2.927993 1.879335 ESP Fit Center 3832 is at 0.244904 -3.298891 1.879335 ESP Fit Center 3833 is at 0.511690 -3.616835 1.879335 ESP Fit Center 3834 is at 0.844608 -3.864683 1.879335 ESP Fit Center 3835 is at 1.225710 -4.029074 1.879335 ESP Fit Center 3836 is at 1.634450 -4.101146 1.879335 ESP Fit Center 3837 is at 2.048794 -4.077013 1.879335 ESP Fit Center 3838 is at 2.446403 -3.957977 1.879335 ESP Fit Center 3839 is at 2.805844 -3.750454 1.879335 ESP Fit Center 3840 is at -0.093422 -3.132186 1.527887 ESP Fit Center 3841 is at 0.116174 -3.495219 1.527887 ESP Fit Center 3842 is at 0.396670 -3.806740 1.527887 ESP Fit Center 3843 is at 0.735805 -4.053136 1.527887 ESP Fit Center 3844 is at 1.118757 -4.223638 1.527887 ESP Fit Center 3845 is at 1.528791 -4.310793 1.527887 ESP Fit Center 3846 is at 1.947984 -4.310793 1.527887 ESP Fit Center 3847 is at 2.358018 -4.223638 1.527887 ESP Fit Center 3848 is at 2.740970 -4.053136 1.527887 ESP Fit Center 3849 is at 3.080105 -3.806740 1.527887 ESP Fit Center 3850 is at -0.053005 -3.513582 1.142438 ESP Fit Center 3851 is at 0.214933 -3.840066 1.142438 ESP Fit Center 3852 is at 0.541417 -4.108004 1.142438 ESP Fit Center 3853 is at 0.913900 -4.307100 1.142438 ESP Fit Center 3854 is at 1.318068 -4.429703 1.142438 ESP Fit Center 3855 is at 1.738388 -4.471101 1.142438 ESP Fit Center 3856 is at 2.158708 -4.429703 1.142438 ESP Fit Center 3857 is at 2.562875 -4.307100 1.142438 ESP Fit Center 3858 is at 2.935358 -4.108004 1.142438 ESP Fit Center 3859 is at -0.014860 -3.695381 0.736114 ESP Fit Center 3860 is at 0.277757 -4.002269 0.736114 ESP Fit Center 3861 is at 0.623165 -4.248233 0.736114 ESP Fit Center 3862 is at 1.008881 -4.424384 0.736114 ESP Fit Center 3863 is at 1.420962 -4.524354 0.736114 ESP Fit Center 3864 is at 1.844516 -4.544530 0.736114 ESP Fit Center 3865 is at 2.264235 -4.484184 0.736114 ESP Fit Center 3866 is at 2.664948 -4.345495 0.736114 ESP Fit Center 3867 is at 3.032172 -4.133478 0.736114 ESP Fit Center 3868 is at -0.014860 -3.695381 0.322752 ESP Fit Center 3869 is at 0.277757 -4.002269 0.322752 ESP Fit Center 3870 is at 0.623165 -4.248233 0.322752 ESP Fit Center 3871 is at 1.008881 -4.424384 0.322752 ESP Fit Center 3872 is at 1.420962 -4.524354 0.322752 ESP Fit Center 3873 is at 1.844516 -4.544530 0.322752 ESP Fit Center 3874 is at 2.264235 -4.484184 0.322752 ESP Fit Center 3875 is at 2.664948 -4.345495 0.322752 ESP Fit Center 3876 is at 3.032172 -4.133478 0.322752 ESP Fit Center 3877 is at 3.352636 -3.855795 0.322752 ESP Fit Center 3878 is at 0.214933 -3.840066 -0.083572 ESP Fit Center 3879 is at 0.541417 -4.108004 -0.083572 ESP Fit Center 3880 is at 0.913900 -4.307100 -0.083572 ESP Fit Center 3881 is at 1.318068 -4.429703 -0.083572 ESP Fit Center 3882 is at 1.738388 -4.471101 -0.083572 ESP Fit Center 3883 is at 2.158708 -4.429703 -0.083572 ESP Fit Center 3884 is at 2.562875 -4.307100 -0.083572 ESP Fit Center 3885 is at 2.935358 -4.108004 -0.083572 ESP Fit Center 3886 is at 3.261842 -3.840066 -0.083572 ESP Fit Center 3887 is at 3.529780 -3.513582 -0.083572 ESP Fit Center 3888 is at 0.396670 -3.806740 -0.469021 ESP Fit Center 3889 is at 0.735805 -4.053136 -0.469021 ESP Fit Center 3890 is at 1.118757 -4.223638 -0.469021 ESP Fit Center 3891 is at 1.528791 -4.310793 -0.469021 ESP Fit Center 3892 is at 1.947984 -4.310793 -0.469021 ESP Fit Center 3893 is at 2.358018 -4.223638 -0.469021 ESP Fit Center 3894 is at 2.740970 -4.053136 -0.469021 ESP Fit Center 3895 is at 3.080105 -3.806740 -0.469021 ESP Fit Center 3896 is at 3.360601 -3.495219 -0.469021 ESP Fit Center 3897 is at 0.511690 -3.616835 -0.820468 ESP Fit Center 3898 is at 0.844608 -3.864683 -0.820468 ESP Fit Center 3899 is at 1.225710 -4.029074 -0.820468 ESP Fit Center 3900 is at 1.634450 -4.101146 -0.820468 ESP Fit Center 3901 is at 2.048794 -4.077013 -0.820468 ESP Fit Center 3902 is at 2.446403 -3.957977 -0.820468 ESP Fit Center 3903 is at 2.805844 -3.750454 -0.820468 ESP Fit Center 3904 is at 3.107737 -3.465632 -0.820468 ESP Fit Center 3905 is at 3.335808 -3.118867 -0.820468 ESP Fit Center 3906 is at 0.750151 -3.457097 -1.125947 ESP Fit Center 3907 is at 1.111494 -3.689318 -1.125947 ESP Fit Center 3908 is at 1.523623 -3.810330 -1.125947 ESP Fit Center 3909 is at 1.953152 -3.810330 -1.125947 ESP Fit Center 3910 is at 2.365281 -3.689318 -1.125947 ESP Fit Center 3911 is at 2.726624 -3.457097 -1.125947 ESP Fit Center 3912 is at 3.007905 -3.132481 -1.125947 ESP Fit Center 3913 is at 0.735805 -2.937385 -1.375053 ESP Fit Center 3914 is at 1.027756 -3.257640 -1.375053 ESP Fit Center 3915 is at 1.415682 -3.450804 -1.375053 ESP Fit Center 3916 is at 1.847191 -3.490789 -1.375053 ESP Fit Center 3917 is at 2.264006 -3.372195 -1.375053 ESP Fit Center 3918 is at 2.609833 -3.111039 -1.375053 ESP Fit Center 3919 is at 1.037616 -2.721202 -1.559304 ESP Fit Center 3920 is at 1.333797 -3.017383 -1.559304 ESP Fit Center 3921 is at 1.738388 -3.125793 -1.559304 ESP Fit Center 3922 is at 2.142978 -3.017383 -1.559304 ESP Fit Center 3923 is at 1.532588 -2.673067 -1.672426 ESP Fit Center 3924 is at 3.377524 0.111563 2.254130 ESP Fit Center 3925 is at 2.967100 0.001591 2.254130 ESP Fit Center 3926 is at 3.585902 0.472484 2.077329 ESP Fit Center 3927 is at 3.169146 0.472484 2.077329 ESP Fit Center 3928 is at 2.777524 0.329946 2.077329 ESP Fit Center 3929 is at 3.691394 0.801139 1.837375 ESP Fit Center 3930 is at 3.272247 0.829809 1.837375 ESP Fit Center 3931 is at 2.860908 0.744332 1.837375 ESP Fit Center 3932 is at 2.487885 0.551047 1.837375 ESP Fit Center 3933 is at 4.105719 0.978861 1.541558 ESP Fit Center 3934 is at 3.696777 1.101291 1.541558 ESP Fit Center 3935 is at 3.270624 1.126111 1.541558 ESP Fit Center 3936 is at 2.850234 1.051985 1.541558 ESP Fit Center 3937 is at 3.272252 -2.785078 -1.201132 ESP Fit Center 3938 is at 3.692261 -2.763778 -1.201132 ESP Fit Center 3939 is at 3.270624 -2.544681 -1.543822 ESP Fit Center 3940 is at 3.696777 -2.519861 -1.543822 ESP Fit Center 3941 is at 4.105719 -2.397431 -1.543822 ESP Fit Center 3942 is at 2.860908 -2.162902 -1.839639 ESP Fit Center 3943 is at 3.272247 -2.248379 -1.839639 ESP Fit Center 3944 is at 3.691394 -2.219708 -1.839639 ESP Fit Center 3945 is at 4.087262 -2.079017 -1.839639 ESP Fit Center 3946 is at 4.430492 -1.836738 -1.839639 ESP Fit Center 3947 is at 2.777524 -1.748515 -2.079593 ESP Fit Center 3948 is at 3.169146 -1.891054 -2.079593 ESP Fit Center 3949 is at 3.585902 -1.891054 -2.079593 ESP Fit Center 3950 is at 3.977524 -1.748515 -2.079593 ESP Fit Center 3951 is at 4.394003 -1.388470 3.062468 ESP Fit Center 3952 is at 4.810759 -1.388470 3.026007 ESP Fit Center 3953 is at 4.602381 -1.027549 3.026007 ESP Fit Center 3954 is at 4.185626 -1.027549 3.026007 ESP Fit Center 3955 is at 3.977248 -1.388470 3.026007 ESP Fit Center 3956 is at 5.214852 -1.388470 2.917731 ESP Fit Center 3957 is at 5.104879 -0.978046 2.917731 ESP Fit Center 3958 is at 4.804428 -0.677595 2.917731 ESP Fit Center 3959 is at 4.394003 -0.567622 2.917731 ESP Fit Center 3960 is at 3.983579 -0.677595 2.917731 ESP Fit Center 3961 is at 3.683128 -0.978046 2.917731 ESP Fit Center 3962 is at 5.104879 -1.798895 2.917731 ESP Fit Center 3963 is at 4.994003 -0.349240 2.740929 ESP Fit Center 3964 is at 4.602381 -0.206701 2.740929 ESP Fit Center 3965 is at 4.185626 -0.206701 2.740929 ESP Fit Center 3966 is at 3.794003 -0.349240 2.740929 ESP Fit Center 3967 is at 3.474750 -0.617125 2.740929 ESP Fit Center 3968 is at 3.266372 -0.978046 2.740929 ESP Fit Center 3969 is at 3.194003 -1.388470 2.740929 ESP Fit Center 3970 is at 4.707873 0.121953 2.500975 ESP Fit Center 3971 is at 4.288727 0.150623 2.500975 ESP Fit Center 3972 is at 3.877388 0.065146 2.500975 ESP Fit Center 3973 is at 3.504364 -0.128139 2.500975 ESP Fit Center 3974 is at 3.197321 -0.414897 2.500975 ESP Fit Center 3975 is at 2.979031 -0.773861 2.500975 ESP Fit Center 3976 is at 2.865682 -1.178407 2.500975 ESP Fit Center 3977 is at 4.713257 0.422105 2.205159 ESP Fit Center 3978 is at 4.287104 0.446926 2.205159 ESP Fit Center 3979 is at 3.866714 0.372800 2.205159 ESP Fit Center 3980 is at 4.288731 0.687323 1.862468 ESP Fit Center 3981 is at 4.501313 0.864237 1.483317 ESP Fit Center 3982 is at 5.594003 -3.466931 0.662468 ESP Fit Center 3983 is at 4.711269 -3.730618 0.245713 ESP Fit Center 3984 is at 5.124377 -3.636329 0.245713 ESP Fit Center 3985 is at 5.514010 -3.469792 0.245713 ESP Fit Center 3986 is at 3.656379 -3.519695 -0.158380 ESP Fit Center 3987 is at 4.073046 -3.620777 -0.158380 ESP Fit Center 3988 is at 4.501313 -3.641178 -0.158380 ESP Fit Center 3989 is at 4.925702 -3.580160 -0.158380 ESP Fit Center 3990 is at 5.330873 -3.439929 -0.158380 ESP Fit Center 3991 is at 3.478661 -3.254522 -0.537532 ESP Fit Center 3992 is at 3.873032 -3.400581 -0.537532 ESP Fit Center 3993 is at 4.288731 -3.464264 -0.537532 ESP Fit Center 3994 is at 4.708740 -3.442963 -0.537532 ESP Fit Center 3995 is at 5.115864 -3.337552 -0.537532 ESP Fit Center 3996 is at 5.493435 -3.152344 -0.537532 ESP Fit Center 3997 is at 3.474750 -2.980664 -0.880222 ESP Fit Center 3998 is at 3.866714 -3.149741 -0.880222 ESP Fit Center 3999 is at 4.287104 -3.223867 -0.880222 ESP Fit Center 4000 is at 4.713257 -3.199046 -0.880222 ESP Fit Center 4001 is at 5.122199 -3.076617 -0.880222 ESP Fit Center 4002 is at 3.877388 -2.842087 -1.176038 ESP Fit Center 4003 is at 4.288727 -2.927564 -1.176038 ESP Fit Center 4004 is at 4.707873 -2.898894 -1.176038 ESP Fit Center 4005 is at 5.103741 -2.758202 -1.176038 ESP Fit Center 4006 is at 4.185626 -2.570240 -1.415993 ESP Fit Center 4007 is at 4.602381 -2.570240 -1.415993 ESP Fit Center 4008 is at 4.994003 -2.427701 -1.415993 ESP Fit Center 4009 is at 4.394003 -2.209319 -1.592794 ESP Fit Center 4010 is at 4.804428 -2.099346 -1.592794 ESP Fit Center 4011 is at 5.709710 -0.992725 2.911602 ESP Fit Center 4012 is at 6.126465 -0.992725 2.875141 ESP Fit Center 4013 is at 5.918087 -0.631804 2.875141 ESP Fit Center 4014 is at 5.501332 -0.631804 2.875141 ESP Fit Center 4015 is at 5.292954 -0.992725 2.875141 ESP Fit Center 4016 is at 5.501332 -1.353646 2.875141 ESP Fit Center 4017 is at 5.918087 -1.353646 2.875141 ESP Fit Center 4018 is at 6.420585 -0.582301 2.766865 ESP Fit Center 4019 is at 6.120134 -0.281850 2.766865 ESP Fit Center 4020 is at 5.709710 -0.171877 2.766865 ESP Fit Center 4021 is at 5.299286 -0.281850 2.766865 ESP Fit Center 4022 is at 5.709710 -1.813574 2.766865 ESP Fit Center 4023 is at 6.628963 -0.221380 2.590063 ESP Fit Center 4024 is at 6.309710 0.046505 2.590063 ESP Fit Center 4025 is at 5.918087 0.189044 2.590063 ESP Fit Center 4026 is at 5.501332 0.189044 2.590063 ESP Fit Center 4027 is at 5.109710 0.046505 2.590063 ESP Fit Center 4028 is at 7.027814 -0.191168 2.350109 ESP Fit Center 4029 is at 6.762678 0.134728 2.350109 ESP Fit Center 4030 is at 6.419448 0.377007 2.350109 ESP Fit Center 4031 is at 6.023579 0.517698 2.350109 ESP Fit Center 4032 is at 5.604433 0.546369 2.350109 ESP Fit Center 4033 is at 5.193094 0.460892 2.350109 ESP Fit Center 4034 is at 4.820071 0.267606 2.350109 ESP Fit Center 4035 is at 7.118087 0.189044 2.054293 ESP Fit Center 4036 is at 6.807590 0.481984 2.054293 ESP Fit Center 4037 is at 6.437905 0.695421 2.054293 ESP Fit Center 4038 is at 6.028963 0.817850 2.054293 ESP Fit Center 4039 is at 5.602810 0.842671 2.054293 ESP Fit Center 4040 is at 5.182420 0.768545 2.054293 ESP Fit Center 4041 is at 4.790456 0.599468 2.054293 ESP Fit Center 4042 is at 7.415634 0.194633 1.711602 ESP Fit Center 4043 is at 4.794368 0.873326 1.711602 ESP Fit Center 4044 is at 5.709710 -3.392725 0.511602 ESP Fit Center 4045 is at 6.126465 -3.356264 0.511602 ESP Fit Center 4046 is at 6.026975 -3.334873 0.094847 ESP Fit Center 4047 is at 6.440083 -3.240584 0.094847 ESP Fit Center 4048 is at 5.817019 -3.245433 -0.309246 ESP Fit Center 4049 is at 6.241408 -3.184415 -0.309246 ESP Fit Center 4050 is at 6.646579 -3.044184 -0.309246 ESP Fit Center 4051 is at 7.017890 -2.829808 -0.309246 ESP Fit Center 4052 is at 7.924216 -1.419536 -0.309246 ESP Fit Center 4053 is at 5.604437 -3.068518 -0.688398 ESP Fit Center 4054 is at 6.024446 -3.047218 -0.688398 ESP Fit Center 4055 is at 6.431570 -2.941806 -0.688398 ESP Fit Center 4056 is at 6.809141 -2.756599 -0.688398 ESP Fit Center 4057 is at 7.141701 -2.499179 -0.688398 ESP Fit Center 4058 is at 7.415634 -2.180084 -0.688398 ESP Fit Center 4059 is at 7.619728 -1.812378 -0.688398 ESP Fit Center 4060 is at 5.602810 -2.828121 -1.031088 ESP Fit Center 4061 is at 6.028963 -2.803301 -1.031088 ESP Fit Center 4062 is at 6.437905 -2.680872 -1.031088 ESP Fit Center 4063 is at 6.807590 -2.467434 -1.031088 ESP Fit Center 4064 is at 7.118087 -2.174495 -1.031088 ESP Fit Center 4065 is at 7.352659 -1.817845 -1.031088 ESP Fit Center 4066 is at 5.604433 -2.531819 -1.326904 ESP Fit Center 4067 is at 6.023579 -2.503149 -1.326904 ESP Fit Center 4068 is at 6.419448 -2.362457 -1.326904 ESP Fit Center 4069 is at 6.762678 -2.120179 -1.326904 ESP Fit Center 4070 is at 5.109710 -2.031956 -1.566858 ESP Fit Center 4071 is at 5.501332 -2.174495 -1.566858 ESP Fit Center 4072 is at 5.918087 -2.174495 -1.566858 ESP Fit Center 4073 is at 6.309710 -2.031956 -1.566858 ESP Fit Center 4074 is at 7.150319 0.485322 1.761369 ESP Fit Center 4075 is at 6.941941 0.846243 1.761369 ESP Fit Center 4076 is at 6.622687 1.114128 1.761369 ESP Fit Center 4077 is at 6.231065 1.256667 1.761369 ESP Fit Center 4078 is at 5.814310 1.256667 1.761369 ESP Fit Center 4079 is at 5.422687 1.114128 1.761369 ESP Fit Center 4080 is at 7.508171 0.491110 1.521414 ESP Fit Center 4081 is at 7.340792 0.876455 1.521414 ESP Fit Center 4082 is at 7.075656 1.202351 1.521414 ESP Fit Center 4083 is at 6.732425 1.444629 1.521414 ESP Fit Center 4084 is at 6.336557 1.585321 1.521414 ESP Fit Center 4085 is at 5.917411 1.613991 1.521414 ESP Fit Center 4086 is at 5.506072 1.528514 1.521414 ESP Fit Center 4087 is at 5.133048 1.335229 1.521414 ESP Fit Center 4088 is at 4.826005 1.048471 1.521414 ESP Fit Center 4089 is at 7.120568 1.549606 1.225598 ESP Fit Center 4090 is at 6.750883 1.763044 1.225598 ESP Fit Center 4091 is at 6.341941 1.885473 1.225598 ESP Fit Center 4092 is at 5.915788 1.910294 1.225598 ESP Fit Center 4093 is at 5.495398 1.836168 1.225598 ESP Fit Center 4094 is at 5.103434 1.667091 1.225598 ESP Fit Center 4095 is at 7.122119 1.838771 0.882908 ESP Fit Center 4096 is at 6.744548 2.023979 0.882908 ESP Fit Center 4097 is at 6.337424 2.129390 0.882908 ESP Fit Center 4098 is at 5.917415 2.150691 0.882908 ESP Fit Center 4099 is at 6.959557 2.126356 0.503756 ESP Fit Center 4100 is at 6.554386 2.266587 0.503756 ESP Fit Center 4101 is at 6.129997 2.327605 0.503756 ESP Fit Center 4102 is at 6.753061 2.322756 0.099663 ESP Fit Center 4103 is at 6.843536 2.330160 -0.317092 ESP Fit Center 4104 is at 7.802601 -1.480166 -0.733848 ESP Fit Center 4105 is at 7.330868 -1.762185 -1.137941 ESP Fit Center 4106 is at 7.654898 -1.481412 -1.137941 ESP Fit Center 4107 is at 6.744548 -1.874184 -1.517092 ESP Fit Center 4108 is at 7.122119 -1.688976 -1.517092 ESP Fit Center 4109 is at 7.454678 -1.431556 -1.517092 ESP Fit Center 4110 is at 7.728612 -1.112461 -1.517092 ESP Fit Center 4111 is at 5.103434 -1.517296 -1.859783 ESP Fit Center 4112 is at 5.495398 -1.686373 -1.859783 ESP Fit Center 4113 is at 5.915788 -1.760499 -1.859783 ESP Fit Center 4114 is at 6.341941 -1.735678 -1.859783 ESP Fit Center 4115 is at 6.750883 -1.613249 -1.859783 ESP Fit Center 4116 is at 7.120568 -1.399811 -1.859783 ESP Fit Center 4117 is at 7.431065 -1.106872 -1.859783 ESP Fit Center 4118 is at 5.506072 -1.378719 -2.155599 ESP Fit Center 4119 is at 5.917411 -1.464196 -2.155599 ESP Fit Center 4120 is at 6.336557 -1.435526 -2.155599 ESP Fit Center 4121 is at 6.732425 -1.294834 -2.155599 ESP Fit Center 4122 is at 7.075656 -1.052556 -2.155599 ESP Fit Center 4123 is at 7.340792 -0.726660 -2.155599 ESP Fit Center 4124 is at 7.222687 0.074897 -2.395553 ESP Fit Center 4125 is at 7.150319 0.485322 -2.395553 ESP Fit Center 4126 is at 5.814310 -1.106872 -2.395553 ESP Fit Center 4127 is at 6.231065 -1.106872 -2.395553 ESP Fit Center 4128 is at 6.622687 -0.964333 -2.395553 ESP Fit Center 4129 is at 6.941941 -0.696448 -2.395553 ESP Fit Center 4130 is at 7.150319 -0.335527 -2.395553 ESP Fit Center 4131 is at 6.843536 0.074897 -2.572355 ESP Fit Center 4132 is at 6.433112 -0.635978 -2.572355 ESP Fit Center 4133 is at 6.733563 -0.335527 -2.572355 ESP Fit Center 4134 is at 4.607622 1.454428 1.259702 ESP Fit Center 4135 is at 5.226424 1.925321 1.082901 ESP Fit Center 4136 is at 4.809668 1.925321 1.082901 ESP Fit Center 4137 is at 4.418046 1.782782 1.082901 ESP Fit Center 4138 is at 5.331915 2.253975 0.842946 ESP Fit Center 4139 is at 4.912769 2.282646 0.842946 ESP Fit Center 4140 is at 4.501430 2.197169 0.842946 ESP Fit Center 4141 is at 5.746241 2.431698 0.547130 ESP Fit Center 4142 is at 5.337299 2.554128 0.547130 ESP Fit Center 4143 is at 4.911146 2.578948 0.547130 ESP Fit Center 4144 is at 4.490756 2.504822 0.547130 ESP Fit Center 4145 is at 4.098792 2.335745 0.547130 ESP Fit Center 4146 is at 6.117477 2.507426 0.204440 ESP Fit Center 4147 is at 5.739906 2.692633 0.204440 ESP Fit Center 4148 is at 5.332783 2.798045 0.204440 ESP Fit Center 4149 is at 4.912773 2.819345 0.204440 ESP Fit Center 4150 is at 4.497074 2.755663 0.204440 ESP Fit Center 4151 is at 4.102704 2.609604 0.204440 ESP Fit Center 4152 is at 6.326226 2.580634 -0.174712 ESP Fit Center 4153 is at 5.954916 2.795011 -0.174712 ESP Fit Center 4154 is at 5.549744 2.935242 -0.174712 ESP Fit Center 4155 is at 5.125356 2.996260 -0.174712 ESP Fit Center 4156 is at 4.697089 2.975859 -0.174712 ESP Fit Center 4157 is at 4.280422 2.874777 -0.174712 ESP Fit Center 4158 is at 3.890415 2.696666 -0.174712 ESP Fit Center 4159 is at 6.491688 2.591441 -0.578805 ESP Fit Center 4160 is at 4.492109 3.047832 -0.578805 ESP Fit Center 4161 is at 4.089116 2.916891 -0.578805 ESP Fit Center 4162 is at 3.818046 2.822013 -0.995560 ESP Fit Center 4163 is at 3.715980 2.716098 -1.412316 ESP Fit Center 4164 is at 4.912773 -1.332241 -2.195560 ESP Fit Center 4165 is at 5.332783 -1.310941 -2.195560 ESP Fit Center 4166 is at 6.856552 0.743552 -2.538251 ESP Fit Center 4167 is at 4.911146 -1.091844 -2.538251 ESP Fit Center 4168 is at 5.337299 -1.067024 -2.538251 ESP Fit Center 4169 is at 5.746241 -0.944594 -2.538251 ESP Fit Center 4170 is at 6.560736 0.743552 -2.834067 ESP Fit Center 4171 is at 4.501430 -0.710065 -2.834067 ESP Fit Center 4172 is at 4.912769 -0.795542 -2.834067 ESP Fit Center 4173 is at 5.331915 -0.766871 -2.834067 ESP Fit Center 4174 is at 5.727784 -0.626180 -2.834067 ESP Fit Center 4175 is at 6.071014 -0.383902 -2.834067 ESP Fit Center 4176 is at 6.336150 -0.058005 -2.834067 ESP Fit Center 4177 is at 6.503529 0.327339 -2.834067 ESP Fit Center 4178 is at 4.418046 -0.295678 -3.074021 ESP Fit Center 4179 is at 4.809668 -0.438217 -3.074021 ESP Fit Center 4180 is at 5.226424 -0.438217 -3.074021 ESP Fit Center 4181 is at 5.618046 -0.295678 -3.074021 ESP Fit Center 4182 is at 5.937299 -0.027793 -3.074021 ESP Fit Center 4183 is at 6.145677 0.333128 -3.074021 ESP Fit Center 4184 is at 4.197197 0.743552 -3.250823 ESP Fit Center 4185 is at 4.307170 0.333128 -3.250823 ESP Fit Center 4186 is at 4.607622 0.032676 -3.250823 ESP Fit Center 4187 is at 5.018046 -0.077296 -3.250823 ESP Fit Center 4188 is at 5.428470 0.032676 -3.250823 ESP Fit Center 4189 is at 5.728921 0.333128 -3.250823 ESP Fit Center 4190 is at 4.601290 0.743552 -3.359099 ESP Fit Center 4191 is at 4.809668 0.382631 -3.359099 ESP Fit Center 4192 is at 5.226424 0.382631 -3.359099 ESP Fit Center 4193 is at 5.018046 0.743552 -3.395560 ESP Fit Center 4194 is at 4.297655 1.394507 1.242425 ESP Fit Center 4195 is at 3.906033 1.537045 1.242425 ESP Fit Center 4196 is at 3.489277 1.537045 1.242425 ESP Fit Center 4197 is at 3.097655 1.394507 1.242425 ESP Fit Center 4198 is at 4.011525 1.865700 1.002471 ESP Fit Center 4199 is at 3.592378 1.894370 1.002471 ESP Fit Center 4200 is at 3.181040 1.808893 1.002471 ESP Fit Center 4201 is at 4.016909 2.165852 0.706654 ESP Fit Center 4202 is at 3.590756 2.190672 0.706654 ESP Fit Center 4203 is at 3.592383 2.431069 0.363964 ESP Fit Center 4204 is at 3.804965 2.607984 -0.015188 ESP Fit Center 4205 is at 3.376698 2.587583 -0.015188 ESP Fit Center 4206 is at 3.591616 2.716435 -0.419280 ESP Fit Center 4207 is at 3.171718 2.659556 -0.419280 ESP Fit Center 4208 is at 3.697655 2.755276 -0.836036 ESP Fit Center 4209 is at 3.280900 2.718815 -0.836036 ESP Fit Center 4210 is at 3.591616 2.716435 -1.252792 ESP Fit Center 4211 is at 4.419516 -1.593805 -2.036036 ESP Fit Center 4212 is at 4.797086 -1.408598 -2.036036 ESP Fit Center 4213 is at 2.161605 -0.655000 -2.378726 ESP Fit Center 4214 is at 2.435995 -0.982005 -2.378726 ESP Fit Center 4215 is at 2.778402 -1.236917 -2.378726 ESP Fit Center 4216 is at 3.170366 -1.405994 -2.378726 ESP Fit Center 4217 is at 3.590756 -1.480120 -2.378726 ESP Fit Center 4218 is at 4.016909 -1.455300 -2.378726 ESP Fit Center 4219 is at 4.425851 -1.332870 -2.378726 ESP Fit Center 4220 is at 2.500973 -0.618297 -2.674543 ESP Fit Center 4221 is at 2.808016 -0.905055 -2.674543 ESP Fit Center 4222 is at 3.181040 -1.098341 -2.674543 ESP Fit Center 4223 is at 3.592378 -1.183818 -2.674543 ESP Fit Center 4224 is at 4.011525 -1.155147 -2.674543 ESP Fit Center 4225 is at 4.407393 -1.014456 -2.674543 ESP Fit Center 4226 is at 2.778402 -0.416069 -2.914497 ESP Fit Center 4227 is at 3.097655 -0.683954 -2.914497 ESP Fit Center 4228 is at 3.489277 -0.826493 -2.914497 ESP Fit Center 4229 is at 3.906033 -0.826493 -2.914497 ESP Fit Center 4230 is at 4.297655 -0.683954 -2.914497 ESP Fit Center 4231 is at 2.986780 -0.055148 -3.091298 ESP Fit Center 4232 is at 3.287231 -0.355599 -3.091298 ESP Fit Center 4233 is at 3.697655 -0.465572 -3.091298 ESP Fit Center 4234 is at 4.108079 -0.355599 -3.091298 ESP Fit Center 4235 is at 4.114411 0.355276 -3.199575 ESP Fit Center 4236 is at 3.906033 0.716197 -3.199575 ESP Fit Center 4237 is at 3.489277 -0.005645 -3.199575 ESP Fit Center 4238 is at 3.906033 -0.005645 -3.199575 ESP Fit Center 4239 is at 3.697655 0.355276 -3.236036 ESP Fit Center 4240 is at 4.138840 -2.221612 3.208876 ESP Fit Center 4241 is at 4.566081 -2.221612 3.160738 ESP Fit Center 4242 is at 4.352461 -1.851611 3.160738 ESP Fit Center 4243 is at 3.925220 -1.851611 3.160738 ESP Fit Center 4244 is at 3.711600 -2.221612 3.160738 ESP Fit Center 4245 is at 3.925220 -2.591613 3.160738 ESP Fit Center 4246 is at 4.352461 -2.591613 3.160738 ESP Fit Center 4247 is at 4.971897 -2.221612 3.018737 ESP Fit Center 4248 is at 4.860289 -1.805084 3.018737 ESP Fit Center 4249 is at 3.722312 -1.500164 3.018737 ESP Fit Center 4250 is at 3.417392 -1.805084 3.018737 ESP Fit Center 4251 is at 3.305784 -2.221612 3.018737 ESP Fit Center 4252 is at 3.417392 -2.638141 3.018737 ESP Fit Center 4253 is at 3.722312 -2.943061 3.018737 ESP Fit Center 4254 is at 4.138840 -3.054669 3.018737 ESP Fit Center 4255 is at 4.555369 -2.943061 3.018737 ESP Fit Center 4256 is at 4.860289 -2.638141 3.018737 ESP Fit Center 4257 is at 5.335941 -2.221612 2.789993 ESP Fit Center 4258 is at 3.221808 -1.452131 2.789993 ESP Fit Center 4259 is at 3.013934 -1.812180 2.789993 ESP Fit Center 4260 is at 2.941740 -2.221612 2.789993 ESP Fit Center 4261 is at 3.013934 -2.631045 2.789993 ESP Fit Center 4262 is at 3.221808 -2.991094 2.789993 ESP Fit Center 4263 is at 3.540290 -3.258332 2.789993 ESP Fit Center 4264 is at 3.930966 -3.400526 2.789993 ESP Fit Center 4265 is at 4.346715 -3.400526 2.789993 ESP Fit Center 4266 is at 4.737391 -3.258332 2.789993 ESP Fit Center 4267 is at 5.055873 -2.991094 2.789993 ESP Fit Center 4268 is at 5.263747 -2.631045 2.789993 ESP Fit Center 4269 is at 2.698530 -1.798699 2.485977 ESP Fit Center 4270 is at 2.876021 -3.033177 2.485977 ESP Fit Center 4271 is at 3.155818 -3.356080 2.485977 ESP Fit Center 4272 is at 3.515254 -3.587076 2.485977 ESP Fit Center 4273 is at 3.925209 -3.707449 2.485977 ESP Fit Center 4274 is at 4.352472 -3.707449 2.485977 ESP Fit Center 4275 is at 4.762427 -3.587076 2.485977 ESP Fit Center 4276 is at 5.121863 -3.356080 2.485977 ESP Fit Center 4277 is at 5.401660 -3.033177 2.485977 ESP Fit Center 4278 is at 5.579151 -2.644526 2.485977 ESP Fit Center 4279 is at 3.156168 -3.645259 2.121933 ESP Fit Center 4280 is at 3.525424 -3.839060 2.121933 ESP Fit Center 4281 is at 3.930329 -3.938860 2.121933 ESP Fit Center 4282 is at 4.347352 -3.938860 2.121933 ESP Fit Center 4283 is at 4.752257 -3.839060 2.121933 ESP Fit Center 4284 is at 5.121513 -3.645259 2.121933 ESP Fit Center 4285 is at 5.433659 -3.368722 2.121933 ESP Fit Center 4286 is at 5.670556 -3.025518 2.121933 ESP Fit Center 4287 is at 3.326670 -3.908101 1.716117 ESP Fit Center 4288 is at 3.722312 -4.046542 1.716117 ESP Fit Center 4289 is at 4.138840 -4.093474 1.716117 ESP Fit Center 4290 is at 4.555369 -4.046542 1.716117 ESP Fit Center 4291 is at 4.951011 -3.908101 1.716117 ESP Fit Center 4292 is at 5.305927 -3.685093 1.716117 ESP Fit Center 4293 is at 5.602321 -3.388699 1.716117 ESP Fit Center 4294 is at 3.428175 -4.005248 1.288876 ESP Fit Center 4295 is at 3.828219 -4.116319 1.288876 ESP Fit Center 4296 is at 4.242787 -4.138796 1.288876 ESP Fit Center 4297 is at 4.652495 -4.071628 1.288876 ESP Fit Center 4298 is at 5.038185 -3.917955 1.288876 ESP Fit Center 4299 is at 5.381822 -3.684963 1.288876 ESP Fit Center 4300 is at 5.667339 -3.383547 1.288876 ESP Fit Center 4301 is at 3.326670 -3.908101 0.861636 ESP Fit Center 4302 is at 3.722312 -4.046542 0.861636 ESP Fit Center 4303 is at 4.138840 -4.093474 0.861636 ESP Fit Center 4304 is at 4.555369 -4.046542 0.861636 ESP Fit Center 4305 is at 4.951011 -3.908101 0.861636 ESP Fit Center 4306 is at 5.305927 -3.685093 0.861636 ESP Fit Center 4307 is at 3.525424 -3.839060 0.455820 ESP Fit Center 4308 is at 3.930329 -3.938860 0.455820 ESP Fit Center 4309 is at 4.347352 -3.938860 0.455820 ESP Fit Center 4310 is at 4.752257 -3.839060 0.455820 ESP Fit Center 4311 is at 3.925209 -3.707449 0.091776 ESP Fit Center 4312 is at 6.489570 -1.516157 2.954273 ESP Fit Center 4313 is at 6.916810 -1.516157 2.906134 ESP Fit Center 4314 is at 6.703190 -1.146156 2.906134 ESP Fit Center 4315 is at 6.275950 -1.146156 2.906134 ESP Fit Center 4316 is at 6.062330 -1.516157 2.906134 ESP Fit Center 4317 is at 6.275950 -1.886158 2.906134 ESP Fit Center 4318 is at 6.703190 -1.886158 2.906134 ESP Fit Center 4319 is at 7.322627 -1.516157 2.764133 ESP Fit Center 4320 is at 7.211018 -1.099628 2.764133 ESP Fit Center 4321 is at 6.906098 -0.794708 2.764133 ESP Fit Center 4322 is at 6.489570 -0.683100 2.764133 ESP Fit Center 4323 is at 5.768122 -1.932685 2.764133 ESP Fit Center 4324 is at 6.073042 -2.237605 2.764133 ESP Fit Center 4325 is at 6.489570 -2.349214 2.764133 ESP Fit Center 4326 is at 6.906098 -2.237605 2.764133 ESP Fit Center 4327 is at 7.211018 -1.932685 2.764133 ESP Fit Center 4328 is at 7.686670 -1.516157 2.535389 ESP Fit Center 4329 is at 7.614476 -1.106724 2.535389 ESP Fit Center 4330 is at 7.406602 -0.746675 2.535389 ESP Fit Center 4331 is at 7.088120 -0.479437 2.535389 ESP Fit Center 4332 is at 5.891020 -2.552876 2.535389 ESP Fit Center 4333 is at 6.281696 -2.695071 2.535389 ESP Fit Center 4334 is at 6.697444 -2.695071 2.535389 ESP Fit Center 4335 is at 7.088120 -2.552876 2.535389 ESP Fit Center 4336 is at 7.406602 -2.285638 2.535389 ESP Fit Center 4337 is at 7.614476 -1.925589 2.535389 ESP Fit Center 4338 is at 7.990686 -1.516157 2.231373 ESP Fit Center 4339 is at 7.929881 -1.093243 2.231373 ESP Fit Center 4340 is at 7.752389 -0.704592 2.231373 ESP Fit Center 4341 is at 7.472592 -0.381689 2.231373 ESP Fit Center 4342 is at 5.865984 -2.881620 2.231373 ESP Fit Center 4343 is at 6.275939 -3.001994 2.231373 ESP Fit Center 4344 is at 6.703201 -3.001994 2.231373 ESP Fit Center 4345 is at 7.113156 -2.881620 2.231373 ESP Fit Center 4346 is at 7.472592 -2.650625 2.231373 ESP Fit Center 4347 is at 7.752389 -2.327722 2.231373 ESP Fit Center 4348 is at 7.929881 -1.939070 2.231373 ESP Fit Center 4349 is at 8.219430 -1.516157 1.867330 ESP Fit Center 4350 is at 8.169164 -1.102174 1.867330 ESP Fit Center 4351 is at 8.021285 -0.712251 1.867330 ESP Fit Center 4352 is at 7.784389 -0.369047 1.867330 ESP Fit Center 4353 is at 5.876153 -3.133604 1.867330 ESP Fit Center 4354 is at 6.281058 -3.233404 1.867330 ESP Fit Center 4355 is at 6.698082 -3.233404 1.867330 ESP Fit Center 4356 is at 7.102987 -3.133604 1.867330 ESP Fit Center 4357 is at 7.472243 -2.939804 1.867330 ESP Fit Center 4358 is at 7.784389 -2.663266 1.867330 ESP Fit Center 4359 is at 8.021285 -2.320063 1.867330 ESP Fit Center 4360 is at 8.169164 -1.930139 1.867330 ESP Fit Center 4361 is at 8.361432 -1.516157 1.461513 ESP Fit Center 4362 is at 8.314500 -1.099628 1.461513 ESP Fit Center 4363 is at 8.176059 -0.703986 1.461513 ESP Fit Center 4364 is at 7.953050 -0.349070 1.461513 ESP Fit Center 4365 is at 6.073042 -3.341087 1.461513 ESP Fit Center 4366 is at 6.489570 -3.388018 1.461513 ESP Fit Center 4367 is at 6.906098 -3.341087 1.461513 ESP Fit Center 4368 is at 7.301740 -3.202646 1.461513 ESP Fit Center 4369 is at 7.656657 -2.979637 1.461513 ESP Fit Center 4370 is at 7.953050 -2.683243 1.461513 ESP Fit Center 4371 is at 8.176059 -2.328327 1.461513 ESP Fit Center 4372 is at 8.314500 -1.932685 1.461513 ESP Fit Center 4373 is at 8.409570 -1.516157 1.034273 ESP Fit Center 4374 is at 8.364681 -1.103414 1.034273 ESP Fit Center 4375 is at 8.232115 -0.709970 1.034273 ESP Fit Center 4376 is at 6.178949 -3.410864 1.034273 ESP Fit Center 4377 is at 6.593517 -3.433341 1.034273 ESP Fit Center 4378 is at 7.003224 -3.366173 1.034273 ESP Fit Center 4379 is at 7.388914 -3.212500 1.034273 ESP Fit Center 4380 is at 7.732552 -2.979508 1.034273 ESP Fit Center 4381 is at 8.018069 -2.678091 1.034273 ESP Fit Center 4382 is at 8.232115 -2.322344 1.034273 ESP Fit Center 4383 is at 8.364681 -1.928900 1.034273 ESP Fit Center 4384 is at 8.361432 -1.516157 0.607033 ESP Fit Center 4385 is at 8.314500 -1.099628 0.607033 ESP Fit Center 4386 is at 6.489570 -3.388018 0.607033 ESP Fit Center 4387 is at 6.906098 -3.341087 0.607033 ESP Fit Center 4388 is at 7.301740 -3.202646 0.607033 ESP Fit Center 4389 is at 7.656657 -2.979637 0.607033 ESP Fit Center 4390 is at 7.953050 -2.683243 0.607033 ESP Fit Center 4391 is at 8.176059 -2.328327 0.607033 ESP Fit Center 4392 is at 8.314500 -1.932685 0.607033 ESP Fit Center 4393 is at 8.219430 -1.516157 0.201216 ESP Fit Center 4394 is at 8.169164 -1.102174 0.201216 ESP Fit Center 4395 is at 6.698082 -3.233404 0.201216 ESP Fit Center 4396 is at 7.102987 -3.133604 0.201216 ESP Fit Center 4397 is at 7.472243 -2.939804 0.201216 ESP Fit Center 4398 is at 7.784389 -2.663266 0.201216 ESP Fit Center 4399 is at 8.021285 -2.320063 0.201216 ESP Fit Center 4400 is at 8.169164 -1.930139 0.201216 ESP Fit Center 4401 is at 7.990686 -1.516157 -0.162828 ESP Fit Center 4402 is at 7.113156 -2.881620 -0.162828 ESP Fit Center 4403 is at 7.472592 -2.650625 -0.162828 ESP Fit Center 4404 is at 7.752389 -2.327722 -0.162828 ESP Fit Center 4405 is at 7.929881 -1.939070 -0.162828 ESP Fit Center 4406 is at 7.879873 0.379375 1.291764 ESP Fit Center 4407 is at 7.768265 0.795903 1.291764 ESP Fit Center 4408 is at 8.243917 0.379375 1.063020 ESP Fit Center 4409 is at 8.171723 0.788807 1.063020 ESP Fit Center 4410 is at 7.963848 1.148856 1.063020 ESP Fit Center 4411 is at 7.645366 1.416094 1.063020 ESP Fit Center 4412 is at 8.171723 -0.030058 1.063020 ESP Fit Center 4413 is at 8.547933 0.379375 0.759004 ESP Fit Center 4414 is at 8.487127 0.802288 0.759004 ESP Fit Center 4415 is at 8.309636 1.190939 0.759004 ESP Fit Center 4416 is at 8.029838 1.513843 0.759004 ESP Fit Center 4417 is at 7.670402 1.744838 0.759004 ESP Fit Center 4418 is at 7.260447 1.865212 0.759004 ESP Fit Center 4419 is at 8.309636 -0.432190 0.759004 ESP Fit Center 4420 is at 8.487127 -0.043539 0.759004 ESP Fit Center 4421 is at 8.776676 0.379375 0.394961 ESP Fit Center 4422 is at 8.726410 0.793357 0.394961 ESP Fit Center 4423 is at 8.578531 1.183281 0.394961 ESP Fit Center 4424 is at 8.341635 1.526484 0.394961 ESP Fit Center 4425 is at 8.029489 1.803022 0.394961 ESP Fit Center 4426 is at 7.660233 1.996822 0.394961 ESP Fit Center 4427 is at 7.255328 2.096622 0.394961 ESP Fit Center 4428 is at 8.341635 -0.767735 0.394961 ESP Fit Center 4429 is at 8.578531 -0.424531 0.394961 ESP Fit Center 4430 is at 8.726410 -0.034608 0.394961 ESP Fit Center 4431 is at 8.918678 0.379375 -0.010856 ESP Fit Center 4432 is at 8.871746 0.795903 -0.010856 ESP Fit Center 4433 is at 8.733305 1.191545 -0.010856 ESP Fit Center 4434 is at 8.510296 1.546461 -0.010856 ESP Fit Center 4435 is at 8.213903 1.842855 -0.010856 ESP Fit Center 4436 is at 7.858986 2.065864 -0.010856 ESP Fit Center 4437 is at 7.463345 2.204305 -0.010856 ESP Fit Center 4438 is at 7.046816 2.251236 -0.010856 ESP Fit Center 4439 is at 8.213903 -1.084106 -0.010856 ESP Fit Center 4440 is at 8.510296 -0.787712 -0.010856 ESP Fit Center 4441 is at 8.733305 -0.432796 -0.010856 ESP Fit Center 4442 is at 8.871746 -0.037154 -0.010856 ESP Fit Center 4443 is at 8.966816 0.379375 -0.438096 ESP Fit Center 4444 is at 8.921928 0.792118 -0.438096 ESP Fit Center 4445 is at 8.789361 1.185562 -0.438096 ESP Fit Center 4446 is at 8.575315 1.541309 -0.438096 ESP Fit Center 4447 is at 8.289798 1.842726 -0.438096 ESP Fit Center 4448 is at 7.946160 2.075718 -0.438096 ESP Fit Center 4449 is at 7.560471 2.229391 -0.438096 ESP Fit Center 4450 is at 7.150763 2.296559 -0.438096 ESP Fit Center 4451 is at 8.289798 -1.083977 -0.438096 ESP Fit Center 4452 is at 8.575315 -0.782560 -0.438096 ESP Fit Center 4453 is at 8.789361 -0.426812 -0.438096 ESP Fit Center 4454 is at 8.921928 -0.033369 -0.438096 ESP Fit Center 4455 is at 8.918678 0.379375 -0.865336 ESP Fit Center 4456 is at 8.871746 0.795903 -0.865336 ESP Fit Center 4457 is at 8.733305 1.191545 -0.865336 ESP Fit Center 4458 is at 8.510296 1.546461 -0.865336 ESP Fit Center 4459 is at 8.213903 1.842855 -0.865336 ESP Fit Center 4460 is at 7.858986 2.065864 -0.865336 ESP Fit Center 4461 is at 7.463345 2.204305 -0.865336 ESP Fit Center 4462 is at 7.046816 2.251236 -0.865336 ESP Fit Center 4463 is at 8.213903 -1.084106 -0.865336 ESP Fit Center 4464 is at 8.510296 -0.787712 -0.865336 ESP Fit Center 4465 is at 8.733305 -0.432796 -0.865336 ESP Fit Center 4466 is at 8.871746 -0.037154 -0.865336 ESP Fit Center 4467 is at 8.776676 0.379375 -1.271153 ESP Fit Center 4468 is at 8.726410 0.793357 -1.271153 ESP Fit Center 4469 is at 8.578531 1.183281 -1.271153 ESP Fit Center 4470 is at 8.341635 1.526484 -1.271153 ESP Fit Center 4471 is at 8.029489 1.803022 -1.271153 ESP Fit Center 4472 is at 7.660233 1.996822 -1.271153 ESP Fit Center 4473 is at 7.255328 2.096622 -1.271153 ESP Fit Center 4474 is at 8.029489 -1.044272 -1.271153 ESP Fit Center 4475 is at 8.341635 -0.767735 -1.271153 ESP Fit Center 4476 is at 8.578531 -0.424531 -1.271153 ESP Fit Center 4477 is at 8.726410 -0.034608 -1.271153 ESP Fit Center 4478 is at 8.547933 0.379375 -1.635197 ESP Fit Center 4479 is at 8.487127 0.802288 -1.635197 ESP Fit Center 4480 is at 8.309636 1.190939 -1.635197 ESP Fit Center 4481 is at 8.029838 1.513843 -1.635197 ESP Fit Center 4482 is at 7.670402 1.744838 -1.635197 ESP Fit Center 4483 is at 7.260447 1.865212 -1.635197 ESP Fit Center 4484 is at 8.029838 -0.755093 -1.635197 ESP Fit Center 4485 is at 8.309636 -0.432190 -1.635197 ESP Fit Center 4486 is at 8.487127 -0.043539 -1.635197 ESP Fit Center 4487 is at 8.243917 0.379375 -1.939213 ESP Fit Center 4488 is at 8.171723 0.788807 -1.939213 ESP Fit Center 4489 is at 7.963848 1.148856 -1.939213 ESP Fit Center 4490 is at 7.645366 1.416094 -1.939213 ESP Fit Center 4491 is at 7.254690 1.558288 -1.939213 ESP Fit Center 4492 is at 7.645366 -0.657345 -1.939213 ESP Fit Center 4493 is at 7.963848 -0.390107 -1.939213 ESP Fit Center 4494 is at 8.171723 -0.030058 -1.939213 ESP Fit Center 4495 is at 7.879873 0.379375 -2.167956 ESP Fit Center 4496 is at 7.768265 0.795903 -2.167956 ESP Fit Center 4497 is at 7.463345 1.100823 -2.167956 ESP Fit Center 4498 is at 7.768265 -0.037154 -2.167956 ESP Fit Center 4499 is at 7.474056 0.379375 -2.309958 ESP Fit Center 4500 is at 7.260436 0.749376 -2.309958 ESP Fit Center 4501 is at 5.882654 2.925775 -0.454330 ESP Fit Center 4502 is at 5.472698 3.046148 -0.454330 ESP Fit Center 4503 is at 6.790782 2.364217 -0.818374 ESP Fit Center 4504 is at 6.553886 2.707421 -0.818374 ESP Fit Center 4505 is at 6.241740 2.983958 -0.818374 ESP Fit Center 4506 is at 5.872484 3.177759 -0.818374 ESP Fit Center 4507 is at 5.467579 3.277559 -0.818374 ESP Fit Center 4508 is at 5.050556 3.277559 -0.818374 ESP Fit Center 4509 is at 4.645650 3.177759 -0.818374 ESP Fit Center 4510 is at 6.945556 2.372481 -1.224190 ESP Fit Center 4511 is at 6.722548 2.727398 -1.224190 ESP Fit Center 4512 is at 6.426154 3.023791 -1.224190 ESP Fit Center 4513 is at 6.071238 3.246800 -1.224190 ESP Fit Center 4514 is at 5.675596 3.385241 -1.224190 ESP Fit Center 4515 is at 5.259067 3.432173 -1.224190 ESP Fit Center 4516 is at 4.842539 3.385241 -1.224190 ESP Fit Center 4517 is at 4.446897 3.246800 -1.224190 ESP Fit Center 4518 is at 4.091981 3.023791 -1.224190 ESP Fit Center 4519 is at 7.134179 1.973054 -1.651431 ESP Fit Center 4520 is at 7.001612 2.366498 -1.651431 ESP Fit Center 4521 is at 6.787566 2.722246 -1.651431 ESP Fit Center 4522 is at 6.502049 3.023662 -1.651431 ESP Fit Center 4523 is at 6.158411 3.256654 -1.651431 ESP Fit Center 4524 is at 5.772722 3.410327 -1.651431 ESP Fit Center 4525 is at 5.363014 3.477495 -1.651431 ESP Fit Center 4526 is at 4.948446 3.455018 -1.651431 ESP Fit Center 4527 is at 4.548402 3.343946 -1.651431 ESP Fit Center 4528 is at 4.181588 3.149474 -1.651431 ESP Fit Center 4529 is at 3.865156 2.880694 -1.651431 ESP Fit Center 4530 is at 7.130929 1.560311 -2.078671 ESP Fit Center 4531 is at 7.083997 1.976840 -2.078671 ESP Fit Center 4532 is at 6.945556 2.372481 -2.078671 ESP Fit Center 4533 is at 6.722548 2.727398 -2.078671 ESP Fit Center 4534 is at 6.426154 3.023791 -2.078671 ESP Fit Center 4535 is at 6.071238 3.246800 -2.078671 ESP Fit Center 4536 is at 5.675596 3.385241 -2.078671 ESP Fit Center 4537 is at 5.259067 3.432173 -2.078671 ESP Fit Center 4538 is at 4.842539 3.385241 -2.078671 ESP Fit Center 4539 is at 4.446897 3.246800 -2.078671 ESP Fit Center 4540 is at 4.091981 3.023791 -2.078671 ESP Fit Center 4541 is at 3.795587 2.727398 -2.078671 ESP Fit Center 4542 is at 6.988927 1.560311 -2.484487 ESP Fit Center 4543 is at 6.938661 1.974294 -2.484487 ESP Fit Center 4544 is at 6.790782 2.364217 -2.484487 ESP Fit Center 4545 is at 6.553886 2.707421 -2.484487 ESP Fit Center 4546 is at 6.241740 2.983958 -2.484487 ESP Fit Center 4547 is at 5.872484 3.177759 -2.484487 ESP Fit Center 4548 is at 5.467579 3.277559 -2.484487 ESP Fit Center 4549 is at 5.050556 3.277559 -2.484487 ESP Fit Center 4550 is at 4.645650 3.177759 -2.484487 ESP Fit Center 4551 is at 4.276395 2.983958 -2.484487 ESP Fit Center 4552 is at 3.964248 2.707421 -2.484487 ESP Fit Center 4553 is at 3.727352 2.364217 -2.484487 ESP Fit Center 4554 is at 6.938661 1.146328 -2.484487 ESP Fit Center 4555 is at 6.760184 1.560311 -2.848531 ESP Fit Center 4556 is at 6.699378 1.983225 -2.848531 ESP Fit Center 4557 is at 6.521887 2.371876 -2.848531 ESP Fit Center 4558 is at 6.242089 2.694779 -2.848531 ESP Fit Center 4559 is at 5.882654 2.925775 -2.848531 ESP Fit Center 4560 is at 5.472698 3.046148 -2.848531 ESP Fit Center 4561 is at 5.045436 3.046148 -2.848531 ESP Fit Center 4562 is at 4.635481 2.925775 -2.848531 ESP Fit Center 4563 is at 4.276045 2.694779 -2.848531 ESP Fit Center 4564 is at 3.996248 2.371876 -2.848531 ESP Fit Center 4565 is at 3.818757 1.983225 -2.848531 ESP Fit Center 4566 is at 6.699378 1.137398 -2.848531 ESP Fit Center 4567 is at 6.456168 1.560311 -3.152547 ESP Fit Center 4568 is at 6.383974 1.969744 -3.152547 ESP Fit Center 4569 is at 6.176099 2.329792 -3.152547 ESP Fit Center 4570 is at 5.857617 2.597031 -3.152547 ESP Fit Center 4571 is at 5.466942 2.739225 -3.152547 ESP Fit Center 4572 is at 5.051193 2.739225 -3.152547 ESP Fit Center 4573 is at 4.660517 2.597031 -3.152547 ESP Fit Center 4574 is at 4.342035 2.329792 -3.152547 ESP Fit Center 4575 is at 4.134161 1.969744 -3.152547 ESP Fit Center 4576 is at 4.061967 1.560311 -3.152547 ESP Fit Center 4577 is at 6.176099 0.790830 -3.152547 ESP Fit Center 4578 is at 6.383974 1.150879 -3.152547 ESP Fit Center 4579 is at 6.092124 1.560311 -3.381291 ESP Fit Center 4580 is at 5.980516 1.976840 -3.381291 ESP Fit Center 4581 is at 5.675596 2.281759 -3.381291 ESP Fit Center 4582 is at 5.259067 2.393368 -3.381291 ESP Fit Center 4583 is at 4.842539 2.281759 -3.381291 ESP Fit Center 4584 is at 4.537619 1.976840 -3.381291 ESP Fit Center 4585 is at 4.426010 1.560311 -3.381291 ESP Fit Center 4586 is at 4.537619 1.143783 -3.381291 ESP Fit Center 4587 is at 5.675596 0.838863 -3.381291 ESP Fit Center 4588 is at 5.980516 1.143783 -3.381291 ESP Fit Center 4589 is at 5.686307 1.560311 -3.523292 ESP Fit Center 4590 is at 5.472687 1.930312 -3.523292 ESP Fit Center 4591 is at 5.045447 1.930312 -3.523292 ESP Fit Center 4592 is at 4.831827 1.560311 -3.523292 ESP Fit Center 4593 is at 5.045447 1.190310 -3.523292 ESP Fit Center 4594 is at 5.472687 1.190310 -3.523292 ESP Fit Center 4595 is at 5.259067 1.560311 -3.571431 ESP Fit Center 4596 is at 3.446149 2.717045 -1.391258 ESP Fit Center 4597 is at 3.036441 2.784214 -1.391258 ESP Fit Center 4598 is at 3.349023 2.691960 -1.818498 ESP Fit Center 4599 is at 2.932495 2.738891 -1.818498 ESP Fit Center 4600 is at 3.545912 2.484477 -2.224315 ESP Fit Center 4601 is at 3.141006 2.584277 -2.224315 ESP Fit Center 4602 is at 2.723983 2.584277 -2.224315 ESP Fit Center 4603 is at 2.319078 2.484477 -2.224315 ESP Fit Center 4604 is at 1.949822 -0.556618 -2.224315 ESP Fit Center 4605 is at 3.556081 2.232493 -2.588359 ESP Fit Center 4606 is at 3.146126 2.352867 -2.588359 ESP Fit Center 4607 is at 2.718864 2.352867 -2.588359 ESP Fit Center 4608 is at 2.308908 2.232493 -2.588359 ESP Fit Center 4609 is at 1.949473 2.001498 -2.588359 ESP Fit Center 4610 is at 1.669675 1.678594 -2.588359 ESP Fit Center 4611 is at 1.492184 1.289943 -2.588359 ESP Fit Center 4612 is at 1.431378 0.867029 -2.588359 ESP Fit Center 4613 is at 1.492184 0.444116 -2.588359 ESP Fit Center 4614 is at 1.669675 0.055465 -2.588359 ESP Fit Center 4615 is at 1.949473 -0.267439 -2.588359 ESP Fit Center 4616 is at 3.531045 1.903749 -2.892375 ESP Fit Center 4617 is at 3.140369 2.045943 -2.892375 ESP Fit Center 4618 is at 2.724620 2.045943 -2.892375 ESP Fit Center 4619 is at 2.333945 1.903749 -2.892375 ESP Fit Center 4620 is at 2.015463 1.636511 -2.892375 ESP Fit Center 4621 is at 1.807588 1.276462 -2.892375 ESP Fit Center 4622 is at 1.735394 0.867029 -2.892375 ESP Fit Center 4623 is at 1.807588 0.457597 -2.892375 ESP Fit Center 4624 is at 2.015463 0.097548 -2.892375 ESP Fit Center 4625 is at 2.333945 -0.169690 -2.892375 ESP Fit Center 4626 is at 3.653943 1.283558 -3.121118 ESP Fit Center 4627 is at 3.349023 1.588478 -3.121118 ESP Fit Center 4628 is at 2.932495 1.700086 -3.121118 ESP Fit Center 4629 is at 2.515966 1.588478 -3.121118 ESP Fit Center 4630 is at 2.211046 1.283558 -3.121118 ESP Fit Center 4631 is at 2.099438 0.867029 -3.121118 ESP Fit Center 4632 is at 2.211046 0.450501 -3.121118 ESP Fit Center 4633 is at 2.515966 0.145581 -3.121118 ESP Fit Center 4634 is at 2.932495 0.033973 -3.121118 ESP Fit Center 4635 is at 3.359735 0.867029 -3.263120 ESP Fit Center 4636 is at 3.146115 1.237030 -3.263120 ESP Fit Center 4637 is at 2.718875 1.237030 -3.263120 ESP Fit Center 4638 is at 2.505255 0.867029 -3.263120 ESP Fit Center 4639 is at 2.718875 0.497029 -3.263120 ESP Fit Center 4640 is at 3.146115 0.497029 -3.263120 ESP Fit Center 4641 is at 2.932495 0.867029 -3.311258 ESP Fit Center 4642 is at -6.918442 -1.560981 -1.186196 ESP Fit Center 4643 is at -6.748082 -1.949363 -1.186196 ESP Fit Center 4644 is at -6.750358 -1.550004 -1.577625 ESP Fit Center 4645 is at -3.655377 -0.727200 -2.919703 ESP Fit Center 4646 is at -3.767158 -0.310028 -2.919703 ESP Fit Center 4647 is at -5.307062 -1.515787 3.643029 ESP Fit Center 4648 is at -4.884689 -1.515787 3.643029 ESP Fit Center 4649 is at -5.930222 -1.150002 3.544123 ESP Fit Center 4650 is at -5.818441 -1.567174 3.544123 ESP Fit Center 4651 is at -5.513049 -1.872566 3.544123 ESP Fit Center 4652 is at -5.095876 -1.984347 3.544123 ESP Fit Center 4653 is at -4.678703 -1.872566 3.544123 ESP Fit Center 4654 is at -4.373311 -1.567174 3.544123 ESP Fit Center 4655 is at -6.321650 -1.150002 3.381988 ESP Fit Center 4656 is at -6.247727 -1.569241 3.381988 ESP Fit Center 4657 is at -6.034873 -1.937914 3.381988 ESP Fit Center 4658 is at -5.708763 -2.211553 3.381988 ESP Fit Center 4659 is at -5.308729 -2.357154 3.381988 ESP Fit Center 4660 is at -3.944025 -1.569241 3.381988 ESP Fit Center 4661 is at -3.508856 -1.150002 3.160616 ESP Fit Center 4662 is at -6.628820 -0.739250 3.160616 ESP Fit Center 4663 is at -6.682896 -1.150002 3.160616 ESP Fit Center 4664 is at -6.628820 -1.560753 3.160616 ESP Fit Center 4665 is at -6.470276 -1.943512 3.160616 ESP Fit Center 4666 is at -6.218069 -2.272194 3.160616 ESP Fit Center 4667 is at -5.889386 -2.524401 3.160616 ESP Fit Center 4668 is at -3.562932 -1.560753 3.160616 ESP Fit Center 4669 is at -3.186687 -1.150002 2.885459 ESP Fit Center 4670 is at -6.815995 -0.321636 2.885459 ESP Fit Center 4671 is at -6.957197 -0.725167 2.885459 ESP Fit Center 4672 is at -7.005064 -1.150002 2.885459 ESP Fit Center 4673 is at -6.957197 -1.574836 2.885459 ESP Fit Center 4674 is at -6.815995 -1.978367 2.885459 ESP Fit Center 4675 is at -6.588539 -2.340361 2.885459 ESP Fit Center 4676 is at -6.286235 -2.642665 2.885459 ESP Fit Center 4677 is at -5.924242 -2.870121 2.885459 ESP Fit Center 4678 is at -3.234555 -1.574836 2.885459 ESP Fit Center 4679 is at -2.911530 -1.150002 2.563291 ESP Fit Center 4680 is at -2.951004 -0.736611 2.563291 ESP Fit Center 4681 is at -7.037400 -0.149076 2.563291 ESP Fit Center 4682 is at -6.812888 -2.500275 2.563291 ESP Fit Center 4683 is at -6.526318 -2.800820 2.563291 ESP Fit Center 4684 is at -6.188049 -3.041701 2.563291 ESP Fit Center 4685 is at -2.951004 -1.563392 2.563291 ESP Fit Center 4686 is at -6.938762 0.396364 2.202045 ESP Fit Center 4687 is at -6.642241 -2.992888 2.202045 ESP Fit Center 4688 is at -6.298735 -3.233414 2.202045 ESP Fit Center 4689 is at -6.835035 0.739229 1.810616 ESP Fit Center 4690 is at -7.122272 0.427206 1.810616 ESP Fit Center 4691 is at -6.500358 -3.299722 1.810616 ESP Fit Center 4692 is at -6.663357 1.007451 1.398644 ESP Fit Center 4693 is at -6.981559 0.735681 1.398644 ESP Fit Center 4694 is at -6.306559 -3.526101 1.398644 ESP Fit Center 4695 is at -6.892255 0.865692 0.976270 ESP Fit Center 4696 is at -6.200361 -3.613761 0.976270 ESP Fit Center 4697 is at -6.306559 -3.526101 0.553897 ESP Fit Center 4698 is at -5.919949 -3.686240 0.553897 ESP Fit Center 4699 is at -6.127370 -3.501572 0.141925 ESP Fit Center 4700 is at -5.726246 -3.639279 0.141925 ESP Fit Center 4701 is at -6.298735 -3.233414 -0.249504 ESP Fit Center 4702 is at -5.918680 -3.410637 -0.249504 ESP Fit Center 4703 is at -5.513624 -3.519171 -0.249504 ESP Fit Center 4704 is at -6.188049 -3.041701 -0.610750 ESP Fit Center 4705 is at -5.105762 2.041184 1.196920 ESP Fit Center 4706 is at -5.518468 1.955423 1.196920 ESP Fit Center 4707 is at -5.892731 1.761496 1.196920 ESP Fit Center 4708 is at -6.200794 1.473785 1.196920 ESP Fit Center 4709 is at -5.107938 2.347864 0.915036 ESP Fit Center 4710 is at -5.531876 2.273112 0.915036 ESP Fit Center 4711 is at -5.927148 2.102609 0.915036 ESP Fit Center 4712 is at -6.272444 1.845545 0.915036 ESP Fit Center 4713 is at -6.549150 1.515780 0.915036 ESP Fit Center 4714 is at -5.106988 2.603928 0.586595 ESP Fit Center 4715 is at -5.528927 2.539290 0.586595 ESP Fit Center 4716 is at -5.929217 2.391038 0.586595 ESP Fit Center 4717 is at -6.291471 2.165244 0.586595 ESP Fit Center 4718 is at -6.600857 1.871151 0.586595 ESP Fit Center 4719 is at -5.213068 2.794881 0.220558 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2.837010 ESP Fit Center 5224 is at -3.185074 -2.491820 2.837010 ESP Fit Center 5225 is at -2.859812 -2.079746 2.509691 ESP Fit Center 5226 is at -2.908223 -1.665566 2.509691 ESP Fit Center 5227 is at -5.888259 -3.386090 2.509691 ESP Fit Center 5228 is at -5.553774 -3.635105 2.509691 ESP Fit Center 5229 is at -5.170878 -3.800270 2.509691 ESP Fit Center 5230 is at -4.760213 -3.872682 2.509691 ESP Fit Center 5231 is at -4.343919 -3.848435 2.509691 ESP Fit Center 5232 is at -3.944437 -3.728838 2.509691 ESP Fit Center 5233 is at -3.583305 -3.520338 2.509691 ESP Fit Center 5234 is at -3.279990 -3.234176 2.509691 ESP Fit Center 5235 is at -3.050845 -2.885778 2.509691 ESP Fit Center 5236 is at -2.908223 -2.493926 2.509691 ESP Fit Center 5237 is at -5.991090 -3.562751 2.136256 ESP Fit Center 5238 is at -5.653576 -3.807969 2.136256 ESP Fit Center 5239 is at -5.272454 -3.977655 2.136256 ESP Fit Center 5240 is at -4.864381 -4.064394 2.136256 ESP Fit Center 5241 is at -4.447191 -4.064394 2.136256 ESP Fit Center 5242 is at -4.039118 -3.977655 2.136256 ESP Fit Center 5243 is at -3.657996 -3.807969 2.136256 ESP Fit Center 5244 is at -3.320483 -3.562751 2.136256 ESP Fit Center 5245 is at -3.041328 -3.252718 2.136256 ESP Fit Center 5246 is at -2.832734 -2.891421 2.136256 ESP Fit Center 5247 is at -6.153789 -3.577749 1.731055 ESP Fit Center 5248 is at -5.832760 -3.841211 1.731055 ESP Fit Center 5249 is at -5.466500 -4.036981 1.731055 ESP Fit Center 5250 is at -5.069084 -4.157536 1.731055 ESP Fit Center 5251 is at -4.655786 -4.198242 1.731055 ESP Fit Center 5252 is at -4.242488 -4.157536 1.731055 ESP Fit Center 5253 is at -3.845073 -4.036981 1.731055 ESP Fit Center 5254 is at -3.478813 -3.841211 1.731055 ESP Fit Center 5255 is at -6.070286 -3.712165 1.309660 ESP Fit Center 5256 is at -5.735786 -3.950361 1.309660 ESP Fit Center 5257 is at -5.362253 -4.120947 1.309660 ESP Fit Center 5258 is at -4.963186 -4.217760 1.309660 ESP Fit Center 5259 is at -4.553009 -4.237299 1.309660 ESP Fit Center 5260 is at -4.146547 -4.178859 1.309660 ESP Fit Center 5261 is at -5.832760 -3.841211 0.888265 ESP Fit Center 5262 is at -5.466500 -4.036981 0.888265 ESP Fit Center 5263 is at -5.069084 -4.157536 0.888265 ESP Fit Center 5264 is at -4.655786 -4.198242 0.888265 ESP Fit Center 5265 is at -5.653576 -3.807969 0.483063 ESP Fit Center 5266 is at -5.272454 -3.977655 0.483063 ESP Fit Center 5267 is at -4.864381 -4.064394 0.483063 ESP Fit Center 5268 is at -5.170878 -3.800270 0.109628 ESP Fit Center 5269 is at -7.293571 -0.891191 2.660027 ESP Fit Center 5270 is at -7.365942 -1.301626 2.660027 ESP Fit Center 5271 is at -7.293571 -1.712061 2.660027 ESP Fit Center 5272 is at -7.085187 -2.072991 2.660027 ESP Fit Center 5273 is at -7.350693 -0.337733 2.391404 ESP Fit Center 5274 is at -7.566813 -0.693128 2.391404 ESP Fit Center 5275 is at -7.679035 -1.093652 2.391404 ESP Fit Center 5276 is at -7.679035 -1.509600 2.391404 ESP Fit Center 5277 is at -7.566813 -1.910124 2.391404 ESP Fit Center 5278 is at -7.350693 -2.265519 2.391404 ESP Fit Center 5279 is at -7.046703 -2.549425 2.391404 ESP Fit Center 5280 is at -7.398382 0.004718 2.064085 ESP Fit Center 5281 is at -7.666425 -0.314722 2.064085 ESP Fit Center 5282 is at -7.853574 -0.687367 2.064085 ESP Fit Center 5283 is at -7.949740 -1.093126 2.064085 ESP Fit Center 5284 is at -7.949740 -1.510126 2.064085 ESP Fit Center 5285 is at -7.853574 -1.915885 2.064085 ESP Fit Center 5286 is at -7.666425 -2.288530 2.064085 ESP Fit Center 5287 is at -7.398382 -2.607970 2.064085 ESP Fit Center 5288 is at -7.063897 -2.856985 2.064085 ESP Fit Center 5289 is at -7.501213 0.181379 1.690649 ESP Fit Center 5290 is at -7.780368 -0.128654 1.690649 ESP Fit Center 5291 is at -7.988963 -0.489951 1.690649 ESP Fit Center 5292 is at -8.117881 -0.886722 1.690649 ESP Fit Center 5293 is at -8.161490 -1.301626 1.690649 ESP Fit Center 5294 is at -8.117881 -1.716530 1.690649 ESP Fit Center 5295 is at -7.988963 -2.113301 1.690649 ESP Fit Center 5296 is at 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0.033597 0.864053 ESP Fit Center 5315 is at -8.085794 -0.311857 0.864053 ESP Fit Center 5316 is at -8.238415 -0.693084 0.864053 ESP Fit Center 5317 is at -8.316129 -1.096305 0.864053 ESP Fit Center 5318 is at -8.316129 -1.506947 0.864053 ESP Fit Center 5319 is at -8.238415 -1.910168 0.864053 ESP Fit Center 5320 is at -8.085794 -2.291395 0.864053 ESP Fit Center 5321 is at -7.863785 -2.636849 0.864053 ESP Fit Center 5322 is at -7.580409 -2.934045 0.864053 ESP Fit Center 5323 is at -7.245910 -3.172241 0.864053 ESP Fit Center 5324 is at -6.872377 -3.342828 0.864053 ESP Fit Center 5325 is at -7.663913 0.196377 0.442658 ESP Fit Center 5326 is at -7.927375 -0.124653 0.442658 ESP Fit Center 5327 is at -8.123145 -0.490913 0.442658 ESP Fit Center 5328 is at -8.243700 -0.888328 0.442658 ESP Fit Center 5329 is at -8.284406 -1.301626 0.442658 ESP Fit Center 5330 is at -8.243700 -1.714924 0.442658 ESP Fit Center 5331 is at -8.123145 -2.112339 0.442658 ESP Fit Center 5332 is at -7.927375 -2.478599 0.442658 ESP Fit Center 5333 is at -7.663913 -2.799629 0.442658 ESP Fit Center 5334 is at -7.342883 -3.063091 0.442658 ESP Fit Center 5335 is at -6.976623 -3.258861 0.442658 ESP Fit Center 5336 is at -6.579208 -3.379416 0.442658 ESP Fit Center 5337 is at -7.988963 -0.489951 0.037457 ESP Fit Center 5338 is at -8.117881 -0.886722 0.037457 ESP Fit Center 5339 is at -8.161490 -1.301626 0.037457 ESP Fit Center 5340 is at -8.117881 -1.716530 0.037457 ESP Fit Center 5341 is at -7.988963 -2.113301 0.037457 ESP Fit Center 5342 is at -7.780368 -2.474598 0.037457 ESP Fit Center 5343 is at -7.501213 -2.784631 0.037457 ESP Fit Center 5344 is at -7.163700 -3.029849 0.037457 ESP Fit Center 5345 is at -6.782578 -3.199535 0.037457 ESP Fit Center 5346 is at -7.853574 -0.687367 -0.335979 ESP Fit Center 5347 is at -7.949740 -1.093126 -0.335979 ESP Fit Center 5348 is at -7.949740 -1.510126 -0.335979 ESP Fit Center 5349 is at -7.853574 -1.915885 -0.335979 ESP Fit Center 5350 is at -7.666425 -2.288530 -0.335979 ESP Fit Center 5351 is at -7.398382 -2.607970 -0.335979 ESP Fit Center 5352 is at -7.063897 -2.856985 -0.335979 ESP Fit Center 5353 is at -6.681001 -3.022151 -0.335979 ESP Fit Center 5354 is at -7.679035 -1.093652 -0.663298 ESP Fit Center 5355 is at -7.679035 -1.509600 -0.663298 ESP Fit Center 5356 is at -7.566813 -1.910124 -0.663298 ESP Fit Center 5357 is at -7.350693 -2.265519 -0.663298 ESP Fit Center 5358 is at -7.046703 -2.549425 -0.663298 ESP Fit Center 5359 is at -6.677388 -2.740789 -0.663298 ESP Fit Center 5360 is at -7.365942 -1.301626 -0.931921 ESP Fit Center 5361 is at -7.293571 -1.712061 -0.931921 ESP Fit Center 5362 is at -7.085187 -2.072991 -0.931921 ESP Fit Center 5363 is at -6.765926 -2.340884 -0.931921 ESP Fit Center 5364 is at -6.881763 -1.714924 -1.131527 ESP Fit Center 5365 is at 1.973895 -1.201750 2.902978 ESP Fit Center 5366 is at 2.396268 -1.201750 2.869737 ESP Fit Center 5367 is at 2.185081 -0.835964 2.869737 ESP Fit Center 5368 is at 1.762708 -0.835964 2.869737 ESP Fit Center 5369 is at 1.551522 -1.201750 2.869737 ESP Fit Center 5370 is at 2.696459 -0.784577 2.770831 ESP Fit Center 5371 is at 2.391068 -0.479185 2.770831 ESP Fit Center 5372 is at 1.973895 -0.367404 2.770831 ESP Fit Center 5373 is at 1.556722 -0.479185 2.770831 ESP Fit Center 5374 is at 1.251330 -0.784577 2.770831 ESP Fit Center 5375 is at 1.139549 -1.201750 2.770831 ESP Fit Center 5376 is at 2.586782 -0.140198 2.608696 ESP Fit Center 5377 is at 2.186748 0.005402 2.608696 ESP Fit Center 5378 is at 0.748120 -1.201750 2.608696 ESP Fit Center 5379 is at 2.384646 0.331194 2.387324 ESP Fit Center 5380 is at 2.802260 -2.921869 -1.706210 ESP Fit Center 5381 is at 1.180385 -2.576149 -1.981368 ESP Fit Center 5382 is at 1.563144 -2.734693 -1.981368 ESP Fit Center 5383 is at 1.973895 -2.788770 -1.981368 ESP Fit Center 5384 is at 2.384646 -2.734693 -1.981368 ESP Fit Center 5385 is at 2.767405 -2.576149 -1.981368 ESP Fit Center 5386 is at 1.034897 -1.989662 -2.202740 ESP Fit Center 5387 is at 1.361007 -2.263301 -2.202740 ESP Fit Center 5388 is at 1.761041 -2.408902 -2.202740 ESP Fit Center 5389 is at 2.186748 -2.408902 -2.202740 ESP Fit Center 5390 is at 2.586782 -2.263301 -2.202740 ESP Fit Center 5391 is at 1.251330 -1.618923 -2.364875 ESP Fit Center 5392 is at 1.556722 -1.924314 -2.364875 ESP Fit Center 5393 is at 1.973895 -2.036096 -2.364875 ESP Fit Center 5394 is at 2.391068 -1.924314 -2.364875 ESP Fit Center 5395 is at 1.551522 -1.201750 -2.463781 ESP Fit Center 5396 is at 1.762708 -1.567535 -2.463781 ESP Fit Center 5397 is at 2.185081 -1.567535 -2.463781 ESP Fit Center 5398 is at 1.973895 -1.201750 -2.497022 ESP Fit Center 5399 is at -4.303604 1.909450 1.791611 ESP Fit Center 5400 is at -4.576846 2.107513 1.522987 ESP Fit Center 5401 is at -4.676457 2.485919 1.195668 ESP Fit Center 5402 is at -4.863607 2.113274 1.195668 ESP Fit Center 5403 is at -4.790401 2.671987 0.822233 ESP Fit Center 5404 is at -4.673946 2.997018 0.417032 ESP Fit Center 5405 is at -4.590442 3.131434 -0.004363 ESP Fit Center 5406 is at -4.673946 2.997018 -0.425759 ESP Fit Center 5407 is at -4.511246 2.982020 -0.830960 ESP Fit Center 5408 is at -0.434155 2.553140 4.463977 ESP Fit Center 5409 is at -0.015318 2.553140 4.442736 ESP Fit Center 5410 is at -0.224737 2.915864 4.442736 ESP Fit Center 5411 is at -0.643573 2.915864 4.442736 ESP Fit Center 5412 is at -0.852992 2.553140 4.442736 ESP Fit Center 5413 is at -0.643573 2.190417 4.442736 ESP Fit Center 5414 is at -0.224737 2.190417 4.442736 ESP Fit Center 5415 is at 0.399221 2.553140 4.379231 ESP Fit Center 5416 is at 0.287570 2.969828 4.379231 ESP Fit Center 5417 is at -0.017467 3.274865 4.379231 ESP Fit Center 5418 is at -0.434155 3.386516 4.379231 ESP Fit Center 5419 is at -0.850843 3.274865 4.379231 ESP Fit Center 5420 is at -1.155880 2.969828 4.379231 ESP Fit Center 5421 is at -1.267531 2.553140 4.379231 ESP Fit Center 5422 is at -1.155880 2.136452 4.379231 ESP Fit Center 5423 is at -0.850843 1.831415 4.379231 ESP Fit Center 5424 is at -0.434155 1.719764 4.379231 ESP Fit Center 5425 is at -0.017467 1.831415 4.379231 ESP Fit Center 5426 is at 0.287570 2.136452 4.379231 ESP Fit Center 5427 is at 0.805208 2.553140 4.274113 ESP Fit Center 5428 is at 0.730466 2.977027 4.274113 ESP Fit Center 5429 is at 0.515252 3.349788 4.274113 ESP Fit Center 5430 is at 0.185527 3.626460 4.274113 ESP Fit Center 5431 is at -0.218942 3.773675 4.274113 ESP Fit Center 5432 is at -0.649368 3.773675 4.274113 ESP Fit Center 5433 is at -1.053837 3.626460 4.274113 ESP Fit Center 5434 is at -1.383562 3.349788 4.274113 ESP Fit Center 5435 is at -1.598776 2.977027 4.274113 ESP Fit Center 5436 is at -1.673518 2.553140 4.274113 ESP Fit Center 5437 is at -1.598776 2.129253 4.274113 ESP Fit Center 5438 is at -1.383562 1.756493 4.274113 ESP Fit Center 5439 is at -1.053837 1.479820 4.274113 ESP Fit Center 5440 is at -0.649368 1.332606 4.274113 ESP Fit Center 5441 is at -0.218942 1.332606 4.274113 ESP Fit Center 5442 is at 0.185527 1.479820 4.274113 ESP Fit Center 5443 is at 0.515252 1.756493 4.274113 ESP Fit Center 5444 is at 0.730466 2.129253 4.274113 ESP Fit Center 5445 is at 1.198478 2.553140 4.128462 ESP Fit Center 5446 is at 1.142848 2.975697 4.128462 ESP Fit Center 5447 is at 0.979747 3.369457 4.128462 ESP Fit Center 5448 is at 0.720291 3.707586 4.128462 ESP Fit Center 5449 is at 0.382162 3.967042 4.128462 ESP Fit Center 5450 is at -0.011598 4.130143 4.128462 ESP Fit Center 5451 is at -0.434155 4.185773 4.128462 ESP Fit Center 5452 is at -0.856712 4.130143 4.128462 ESP Fit Center 5453 is at -1.250472 3.967042 4.128462 ESP Fit Center 5454 is at -1.588601 3.707586 4.128462 ESP Fit Center 5455 is at -1.848057 3.369457 4.128462 ESP Fit Center 5456 is at -2.011158 2.975697 4.128462 ESP Fit Center 5457 is at -2.066788 2.553140 4.128462 ESP Fit Center 5458 is at -2.011158 2.130584 4.128462 ESP Fit Center 5459 is at -1.848057 1.736824 4.128462 ESP Fit Center 5460 is at -1.588601 1.398694 4.128462 ESP Fit Center 5461 is at -1.250472 1.139238 4.128462 ESP Fit Center 5462 is at -0.856712 0.976138 4.128462 ESP Fit Center 5463 is at -0.434155 0.920507 4.128462 ESP Fit Center 5464 is at -0.011598 0.976138 4.128462 ESP Fit Center 5465 is at 0.382162 1.139238 4.128462 ESP Fit Center 5466 is at 0.720291 1.398694 4.128462 ESP Fit Center 5467 is at 0.979747 1.736824 4.128462 ESP Fit Center 5468 is at 1.142848 2.130584 4.128462 ESP Fit Center 5469 is at 1.574995 2.553140 3.943772 ESP Fit Center 5470 is at 1.531090 2.970866 3.943772 ESP Fit Center 5471 is at 1.401295 3.370335 3.943772 ESP Fit Center 5472 is at 1.191282 3.734089 3.943772 ESP Fit Center 5473 is at 0.910229 4.046230 3.943772 ESP Fit Center 5474 is at 0.570420 4.293115 3.943772 ESP Fit Center 5475 is at 0.186707 4.463955 3.943772 ESP Fit Center 5476 is at -0.224142 4.551284 3.943772 ESP Fit Center 5477 is at -0.644168 4.551284 3.943772 ESP Fit Center 5478 is at -1.055017 4.463955 3.943772 ESP Fit Center 5479 is at -1.438730 4.293115 3.943772 ESP Fit Center 5480 is at -1.778539 4.046230 3.943772 ESP Fit Center 5481 is at -2.059592 3.734089 3.943772 ESP Fit Center 5482 is at -2.269605 3.370335 3.943772 ESP Fit Center 5483 is at -2.399400 2.970866 3.943772 ESP Fit Center 5484 is at -2.443305 2.553140 3.943772 ESP Fit Center 5485 is at -2.399400 2.135414 3.943772 ESP Fit Center 5486 is at -2.269605 1.735945 3.943772 ESP Fit Center 5487 is at -2.059592 1.372191 3.943772 ESP Fit Center 5488 is at -1.778539 1.060051 3.943772 ESP Fit Center 5489 is at -1.438730 0.813165 3.943772 ESP Fit Center 5490 is at -1.055017 0.642325 3.943772 ESP Fit Center 5491 is at -0.644168 0.554996 3.943772 ESP Fit Center 5492 is at -0.224142 0.554996 3.943772 ESP Fit Center 5493 is at 0.186707 0.642325 3.943772 ESP Fit Center 5494 is at 0.570420 0.813165 3.943772 ESP Fit Center 5495 is at 0.910229 1.060051 3.943772 ESP Fit Center 5496 is at 1.191282 1.372191 3.943772 ESP Fit Center 5497 is at 1.401295 1.735945 3.943772 ESP Fit Center 5498 is at 1.531090 2.135414 3.943772 ESP Fit Center 5499 is at 1.930895 2.553140 3.721937 ESP Fit Center 5500 is at 1.892888 2.975436 3.721937 ESP Fit Center 5501 is at 1.780088 3.384159 3.721937 ESP Fit Center 5502 is at 1.596120 3.766173 3.721937 ESP Fit Center 5503 is at 1.346897 4.109198 3.721937 ESP Fit Center 5504 is at 1.040430 4.402211 3.721937 ESP Fit Center 5505 is at 0.686568 4.635793 3.721937 ESP Fit Center 5506 is at 0.296686 4.802437 3.721937 ESP Fit Center 5507 is at -0.116687 4.896786 3.721937 ESP Fit Center 5508 is at -0.540263 4.915809 3.721937 ESP Fit Center 5509 is at -0.960428 4.858894 3.721937 ESP Fit Center 5510 is at -1.363679 4.727870 3.721937 ESP Fit Center 5511 is at -1.737054 4.526948 3.721937 ESP Fit Center 5512 is at -2.068553 4.262586 3.721937 ESP Fit Center 5513 is at -2.347521 3.943282 3.721937 ESP Fit Center 5514 is at -2.564992 3.579297 3.721937 ESP Fit Center 5515 is at -2.713976 3.182331 3.721937 ESP Fit Center 5516 is at -2.789684 2.765142 3.721937 ESP Fit Center 5517 is at -2.789684 2.341139 3.721937 ESP Fit Center 5518 is at -2.713976 1.923950 3.721937 ESP Fit Center 5519 is at -2.564992 1.526983 3.721937 ESP Fit Center 5520 is at -2.347521 1.162998 3.721937 ESP Fit Center 5521 is at -2.068553 0.843694 3.721937 ESP Fit Center 5522 is at -1.737054 0.579332 3.721937 ESP Fit Center 5523 is at -1.363679 0.378411 3.721937 ESP Fit Center 5524 is at -0.960428 0.247386 3.721937 ESP Fit Center 5525 is at -0.540263 0.190471 3.721937 ESP Fit Center 5526 is at -0.116687 0.209494 3.721937 ESP Fit Center 5527 is at 0.296686 0.303844 3.721937 ESP Fit Center 5528 is at 0.686568 0.470487 3.721937 ESP Fit Center 5529 is at 1.040430 0.704069 3.721937 ESP Fit Center 5530 is at 1.346897 0.997082 3.721937 ESP Fit Center 5531 is at 1.596120 1.340108 3.721937 ESP Fit Center 5532 is at 1.780088 1.722121 3.721937 ESP Fit Center 5533 is at 1.892888 2.130844 3.721937 ESP Fit Center 5534 is at 2.262527 2.553140 3.465235 ESP Fit Center 5535 is at 2.230923 2.964787 3.465235 ESP Fit Center 5536 is at 2.136852 3.366785 3.465235 ESP Fit Center 5537 is at 1.982519 3.749711 3.465235 ESP Fit Center 5538 is at 1.771540 4.104592 3.465235 ESP Fit Center 5539 is at 1.508863 4.423107 3.465235 ESP Fit Center 5540 is at 1.200642 4.697792 3.465235 ESP Fit Center 5541 is at 0.854103 4.922208 3.465235 ESP Fit Center 5542 is at 0.477369 5.091096 3.465235 ESP Fit Center 5543 is at 0.079269 5.200495 3.465235 ESP Fit Center 5544 is at -0.330865 5.247843 3.465235 ESP Fit Center 5545 is at -0.743420 5.232030 3.465235 ESP Fit Center 5546 is at -1.148726 5.153425 3.465235 ESP Fit Center 5547 is at -1.537283 5.013872 3.465235 ESP Fit Center 5548 is at -1.899984 4.816642 3.465235 ESP Fit Center 5549 is at -2.228327 4.566357 3.465235 ESP Fit Center 5550 is at -2.514616 4.268884 3.465235 ESP Fit Center 5551 is at -2.752141 3.931195 3.465235 ESP Fit Center 5552 is at -2.935334 3.561206 3.465235 ESP Fit Center 5553 is at -3.059902 3.167589 3.465235 ESP Fit Center 5554 is at -3.122924 2.759569 3.465235 ESP Fit Center 5555 is at -3.122924 2.346711 3.465235 ESP Fit Center 5556 is at -3.059902 1.938692 3.465235 ESP Fit Center 5557 is at -2.935334 1.545074 3.465235 ESP Fit Center 5558 is at -2.752141 1.175085 3.465235 ESP Fit Center 5559 is at -2.514616 0.837397 3.465235 ESP Fit Center 5560 is at -2.228327 0.539923 3.465235 ESP Fit Center 5561 is at -1.899984 0.289638 3.465235 ESP Fit Center 5562 is at -1.537283 0.092408 3.465235 ESP Fit Center 5563 is at -1.148726 -0.047145 3.465235 ESP Fit Center 5564 is at -0.743420 -0.125749 3.465235 ESP Fit Center 5565 is at -0.330865 -0.141563 3.465235 ESP Fit Center 5566 is at 0.079269 -0.094215 3.465235 ESP Fit Center 5567 is at 0.477369 0.015185 3.465235 ESP Fit Center 5568 is at 0.854103 0.184072 3.465235 ESP Fit Center 5569 is at 1.200642 0.408488 3.465235 ESP Fit Center 5570 is at 1.508863 0.683173 3.465235 ESP Fit Center 5571 is at 1.771540 1.001689 3.465235 ESP Fit Center 5572 is at 1.982519 1.356569 3.465235 ESP Fit Center 5573 is at 2.136852 1.739496 3.465235 ESP Fit Center 5574 is at 2.230923 2.141494 3.465235 ESP Fit Center 5575 is at 2.566487 2.553140 3.176300 ESP Fit Center 5576 is at 2.537285 2.970749 3.176300 ESP Fit Center 5577 is at 2.450247 3.380229 3.176300 ESP Fit Center 5578 is at 2.307068 3.773611 3.176300 ESP Fit Center 5579 is at 2.110534 4.143238 3.176300 ESP Fit Center 5580 is at 1.864470 4.481916 3.176300 ESP Fit Center 5581 is at 1.573666 4.783052 3.176300 ESP Fit Center 5582 is at 1.243783 5.040785 3.176300 ESP Fit Center 5583 is at 0.881240 5.250099 3.176300 ESP Fit Center 5584 is at 0.493094 5.406920 3.176300 ESP Fit Center 5585 is at 0.086901 5.508196 3.176300 ESP Fit Center 5586 is at -0.329434 5.551954 3.176300 ESP Fit Center 5587 is at -0.747808 5.537344 3.176300 ESP Fit Center 5588 is at -1.160076 5.464650 3.176300 ESP Fit Center 5589 is at -1.558215 5.335287 3.176300 ESP Fit Center 5590 is at -1.934476 5.151772 3.176300 ESP Fit Center 5591 is at -2.281535 4.917678 3.176300 ESP Fit Center 5592 is at -2.592636 4.637561 3.176300 ESP Fit Center 5593 is at -2.861725 4.316873 3.176300 ESP Fit Center 5594 is at -3.083565 3.961856 3.176300 ESP Fit Center 5595 is at -3.253836 3.579420 3.176300 ESP Fit Center 5596 is at -3.369226 3.177009 3.176300 ESP Fit Center 5597 is at -3.427488 2.762454 3.176300 ESP Fit Center 5598 is at -3.427488 2.343826 3.176300 ESP Fit Center 5599 is at -3.369226 1.929272 3.176300 ESP Fit Center 5600 is at -3.253836 1.526860 3.176300 ESP Fit Center 5601 is at -3.083565 1.144424 3.176300 ESP Fit Center 5602 is at -2.861725 0.789407 3.176300 ESP Fit Center 5603 is at -2.592636 0.468719 3.176300 ESP Fit Center 5604 is at -2.281535 0.188602 3.176300 ESP Fit Center 5605 is at -1.934476 -0.045492 3.176300 ESP Fit Center 5606 is at -1.558215 -0.229007 3.176300 ESP Fit Center 5607 is at -1.160076 -0.358370 3.176300 ESP Fit Center 5608 is at -0.747808 -0.431064 3.176300 ESP Fit Center 5609 is at -0.329434 -0.445674 3.176300 ESP Fit Center 5610 is at 0.086901 -0.401915 3.176300 ESP Fit Center 5611 is at 0.493094 -0.300640 3.176300 ESP Fit Center 5612 is at 0.881240 -0.143819 3.176300 ESP Fit Center 5613 is at 1.243783 0.065495 3.176300 ESP Fit Center 5614 is at 1.573666 0.323228 3.176300 ESP Fit Center 5615 is at 1.864470 0.624365 3.176300 ESP Fit Center 5616 is at 2.110534 0.963042 3.176300 ESP Fit Center 5617 is at 2.307068 1.332669 3.176300 ESP Fit Center 5618 is at 2.450247 1.726051 3.176300 ESP Fit Center 5619 is at 2.537285 2.135531 3.176300 ESP Fit Center 5620 is at 2.839657 2.553140 2.858095 ESP Fit Center 5621 is at 2.812779 2.971786 2.858095 ESP Fit Center 5622 is at 2.732586 3.383557 2.858095 ESP Fit Center 5623 is at 2.600396 3.781694 2.858095 ESP Fit Center 5624 is at 2.418378 4.159657 2.858095 ESP Fit Center 5625 is at 2.189522 4.511241 2.858095 ESP Fit Center 5626 is at 1.917585 4.830674 2.858095 ESP Fit Center 5627 is at 1.607033 5.112709 2.858095 ESP Fit Center 5628 is at 1.262965 5.352716 2.858095 ESP Fit Center 5629 is at 0.891029 5.546755 2.858095 ESP Fit Center 5630 is at 0.497335 5.691638 2.858095 ESP Fit Center 5631 is at 0.088345 5.784987 2.858095 ESP Fit Center 5632 is at -0.329224 5.825270 2.858095 ESP Fit Center 5633 is at -0.748516 5.811824 2.858095 ESP Fit Center 5634 is at -1.162647 5.744870 2.858095 ESP Fit Center 5635 is at -1.564815 5.625509 2.858095 ESP Fit Center 5636 is at -1.948418 5.455699 2.858095 ESP Fit Center 5637 is at -2.307157 5.238230 2.858095 ESP Fit Center 5638 is at -2.635141 4.976671 2.858095 ESP Fit Center 5639 is at -2.926986 4.675318 2.858095 ESP Fit Center 5640 is at -3.177898 4.339119 2.858095 ESP Fit Center 5641 is at -3.383757 3.973594 2.858095 ESP Fit Center 5642 is at -3.541185 3.584745 2.858095 ESP Fit Center 5643 is at -3.647595 3.178957 2.858095 ESP Fit Center 5644 is at -3.701240 2.762894 2.858095 ESP Fit Center 5645 is at -3.701240 2.343386 2.858095 ESP Fit Center 5646 is at -3.647595 1.927323 2.858095 ESP Fit Center 5647 is at -3.541185 1.521535 2.858095 ESP Fit Center 5648 is at -3.383757 1.132687 2.858095 ESP Fit Center 5649 is at -3.177898 0.767162 2.858095 ESP Fit Center 5650 is at -2.926986 0.430963 2.858095 ESP Fit Center 5651 is at -2.635141 0.129609 2.858095 ESP Fit Center 5652 is at -2.307157 -0.131949 2.858095 ESP Fit Center 5653 is at -1.948418 -0.349419 2.858095 ESP Fit Center 5654 is at -1.564815 -0.519229 2.858095 ESP Fit Center 5655 is at -1.162647 -0.638590 2.858095 ESP Fit Center 5656 is at -0.748516 -0.705543 2.858095 ESP Fit Center 5657 is at -0.329224 -0.718989 2.858095 ESP Fit Center 5658 is at 0.088345 -0.678707 2.858095 ESP Fit Center 5659 is at 0.497335 -0.585358 2.858095 ESP Fit Center 5660 is at 0.891029 -0.440474 2.858095 ESP Fit Center 5661 is at 1.262965 -0.246436 2.858095 ESP Fit Center 5662 is at 1.607033 -0.006429 2.858095 ESP Fit Center 5663 is at 1.917585 0.275607 2.858095 ESP Fit Center 5664 is at 2.189522 0.595039 2.858095 ESP Fit Center 5665 is at 2.418378 0.946623 2.858095 ESP Fit Center 5666 is at 2.600396 1.324587 2.858095 ESP Fit Center 5667 is at 2.732586 1.722723 2.858095 ESP Fit Center 5668 is at 2.812779 2.134494 2.858095 ESP Fit Center 5669 is at 3.079232 2.553140 2.513888 ESP Fit Center 5670 is at 3.054572 2.968680 2.513888 ESP Fit Center 5671 is at 2.980938 3.378386 2.513888 ESP Fit Center 5672 is at 2.859363 3.776507 2.513888 ESP Fit Center 5673 is at 2.691555 4.157455 2.513888 ESP Fit Center 5674 is at 2.479868 4.515883 2.513888 ESP Fit Center 5675 is at 2.227275 4.846757 2.513888 ESP Fit Center 5676 is at 1.937322 5.145434 2.513888 ESP Fit Center 5677 is at 1.614078 5.407721 2.513888 ESP Fit Center 5678 is at 1.262081 5.629936 2.513888 ESP Fit Center 5679 is at 0.886273 5.808960 2.513888 ESP Fit Center 5680 is at 0.491929 5.942278 2.513888 ESP Fit Center 5681 is at 0.084585 6.028021 2.513888 ESP Fit Center 5682 is at -0.330042 6.064984 2.513888 ESP Fit Center 5683 is at -0.746129 6.052649 2.513888 ESP Fit Center 5684 is at -1.157838 5.991188 2.513888 ESP Fit Center 5685 is at -1.559387 5.881464 2.513888 ESP Fit Center 5686 is at -1.945141 5.725019 2.513888 ESP Fit Center 5687 is at -2.309683 5.524046 2.513888 ESP Fit Center 5688 is at -2.647898 5.281369 2.513888 ESP Fit Center 5689 is at -2.955036 5.000394 2.513888 ESP Fit Center 5690 is at -3.226786 4.685064 2.513888 ESP Fit Center 5691 is at -3.459335 4.339807 2.513888 ESP Fit Center 5692 is at -3.649416 3.969469 2.513888 ESP Fit Center 5693 is at -3.794362 3.579249 2.513888 ESP Fit Center 5694 is at -3.892138 3.174624 2.513888 ESP Fit Center 5695 is at -3.941372 2.761275 2.513888 ESP Fit Center 5696 is at -3.941372 2.345005 2.513888 ESP Fit Center 5697 is at -3.892138 1.931656 2.513888 ESP Fit Center 5698 is at -3.794362 1.527032 2.513888 ESP Fit Center 5699 is at -2.647898 -0.175089 2.513888 ESP Fit Center 5700 is at -2.309683 -0.417766 2.513888 ESP Fit Center 5701 is at -1.945141 -0.618738 2.513888 ESP Fit Center 5702 is at -1.559387 -0.775184 2.513888 ESP Fit Center 5703 is at -1.157838 -0.884908 2.513888 ESP Fit Center 5704 is at 2.227275 0.259523 2.513888 ESP Fit Center 5705 is at 2.479868 0.590398 2.513888 ESP Fit Center 5706 is at 2.691555 0.948825 2.513888 ESP Fit Center 5707 is at 2.859363 1.329773 2.513888 ESP Fit Center 5708 is at 2.980938 1.727895 2.513888 ESP Fit Center 5709 is at 3.054572 2.137601 2.513888 ESP Fit Center 5710 is at 3.282756 2.553140 2.147209 ESP Fit Center 5711 is at 3.259385 2.969302 2.147209 ESP Fit Center 5712 is at 3.189565 3.380231 2.147209 ESP Fit Center 5713 is at 3.074175 3.780758 2.147209 ESP Fit Center 5714 is at 2.914666 4.165847 2.147209 ESP Fit Center 5715 is at 2.713043 4.530656 2.147209 ESP Fit Center 5716 is at 2.471843 4.870596 2.147209 ESP Fit Center 5717 is at 2.194098 5.181393 2.147209 ESP Fit Center 5718 is at 1.883301 5.459138 2.147209 ESP Fit Center 5719 is at 1.543361 5.700338 2.147209 ESP Fit Center 5720 is at 1.178552 5.901961 2.147209 ESP Fit Center 5721 is at 0.793463 6.061470 2.147209 ESP Fit Center 5722 is at 0.392935 6.176860 2.147209 ESP Fit Center 5723 is at -0.017993 6.246680 2.147209 ESP Fit Center 5724 is at -0.434155 6.270051 2.147209 ESP Fit Center 5725 is at -0.850317 6.246680 2.147209 ESP Fit Center 5726 is at -1.261245 6.176860 2.147209 ESP Fit Center 5727 is at -1.661773 6.061470 2.147209 ESP Fit Center 5728 is at -2.046862 5.901961 2.147209 ESP Fit Center 5729 is at -2.411671 5.700338 2.147209 ESP Fit Center 5730 is at -2.751611 5.459138 2.147209 ESP Fit Center 5731 is at -3.062408 5.181393 2.147209 ESP Fit Center 5732 is at -3.340153 4.870596 2.147209 ESP Fit Center 5733 is at -3.581353 4.530656 2.147209 ESP Fit Center 5734 is at -3.782976 4.165847 2.147209 ESP Fit Center 5735 is at -3.942485 3.780758 2.147209 ESP Fit Center 5736 is at -4.057875 3.380231 2.147209 ESP Fit Center 5737 is at -4.127695 2.969302 2.147209 ESP Fit Center 5738 is at -4.151066 2.553140 2.147209 ESP Fit Center 5739 is at -4.127695 2.136978 2.147209 ESP Fit Center 5740 is at -4.057875 1.726050 2.147209 ESP Fit Center 5741 is at 2.914666 0.940433 2.147209 ESP Fit Center 5742 is at 3.074175 1.325522 2.147209 ESP Fit Center 5743 is at 3.189565 1.726050 2.147209 ESP Fit Center 5744 is at 3.259385 2.136978 2.147209 ESP Fit Center 5745 is at 3.448139 2.553140 1.761820 ESP Fit Center 5746 is at 3.426145 2.965803 1.761820 ESP Fit Center 5747 is at 3.360412 3.373790 1.761820 ESP Fit Center 5748 is at 3.251685 3.772478 1.761820 ESP Fit Center 5749 is at 3.101197 4.157351 1.761820 ESP Fit Center 5750 is at 2.910651 4.524048 1.761820 ESP Fit Center 5751 is at 2.682207 4.868413 1.761820 ESP Fit Center 5752 is at 2.418454 5.186546 1.761820 ESP Fit Center 5753 is at 2.122380 5.474841 1.761820 ESP Fit Center 5754 is at 1.797339 5.730032 1.761820 ESP Fit Center 5755 is at 1.447014 5.949227 1.761820 ESP Fit Center 5756 is at 1.075375 6.129944 1.761820 ESP Fit Center 5757 is at 0.686632 6.270134 1.761820 ESP Fit Center 5758 is at 0.285190 6.368209 1.761820 ESP Fit Center 5759 is at -0.124402 6.423057 1.761820 ESP Fit Center 5760 is at -0.537504 6.434058 1.761820 ESP Fit Center 5761 is at -0.949435 6.401087 1.761820 ESP Fit Center 5762 is at -1.355527 6.324516 1.761820 ESP Fit Center 5763 is at -1.751180 6.205215 1.761820 ESP Fit Center 5764 is at -2.131911 6.044534 1.761820 ESP Fit Center 5765 is at -2.493405 5.844294 1.761820 ESP Fit Center 5766 is at -2.831567 5.606764 1.761820 ESP Fit Center 5767 is at -3.142566 5.334636 1.761820 ESP Fit Center 5768 is at -3.422877 5.030992 1.761820 ESP Fit Center 5769 is at -3.669324 4.699272 1.761820 ESP Fit Center 5770 is at -3.879116 4.343237 1.761820 ESP Fit Center 5771 is at -4.049876 3.966919 1.761820 ESP Fit Center 5772 is at -4.179667 3.574582 1.761820 ESP Fit Center 5773 is at -4.267021 3.170671 1.761820 ESP Fit Center 5774 is at -4.310946 2.759764 1.761820 ESP Fit Center 5775 is at -4.310946 2.346516 1.761820 ESP Fit Center 5776 is at 3.251685 1.333802 1.761820 ESP Fit Center 5777 is at 3.360412 1.732491 1.761820 ESP Fit Center 5778 is at 3.426145 2.140478 1.761820 ESP Fit Center 5779 is at 3.573684 2.553140 1.361678 ESP Fit Center 5780 is at 3.551729 2.972073 1.361678 ESP Fit Center 5781 is at 3.486103 3.386417 1.361678 ESP Fit Center 5782 is at 3.377527 3.791631 1.361678 ESP Fit Center 5783 is at 3.227188 4.183275 1.361678 ESP Fit Center 5784 is at 3.036736 4.557060 1.361678 ESP Fit Center 5785 is at 2.808255 4.908889 1.361678 ESP Fit Center 5786 is at 2.544250 5.234908 1.361678 ESP Fit Center 5787 is at 2.247613 5.531545 1.361678 ESP Fit Center 5788 is at 1.921594 5.795550 1.361678 ESP Fit Center 5789 is at 1.569765 6.024031 1.361678 ESP Fit Center 5790 is at 1.195980 6.214484 1.361678 ESP Fit Center 5791 is at 0.804335 6.364822 1.361678 ESP Fit Center 5792 is at 0.399122 6.473399 1.361678 ESP Fit Center 5793 is at -0.015222 6.539024 1.361678 ESP Fit Center 5794 is at -0.434155 6.560979 1.361678 ESP Fit Center 5795 is at -0.853088 6.539024 1.361678 ESP Fit Center 5796 is at -1.267432 6.473399 1.361678 ESP Fit Center 5797 is at -1.672645 6.364822 1.361678 ESP Fit Center 5798 is at -2.064290 6.214484 1.361678 ESP Fit Center 5799 is at -2.438075 6.024031 1.361678 ESP Fit Center 5800 is at -2.789904 5.795550 1.361678 ESP Fit Center 5801 is at -3.115923 5.531545 1.361678 ESP Fit Center 5802 is at -3.412560 5.234908 1.361678 ESP Fit Center 5803 is at -3.676565 4.908889 1.361678 ESP Fit Center 5804 is at -3.905046 4.557060 1.361678 ESP Fit Center 5805 is at -4.095498 4.183275 1.361678 ESP Fit Center 5806 is at -4.245837 3.791631 1.361678 ESP Fit Center 5807 is at -4.354413 3.386417 1.361678 ESP Fit Center 5808 is at -4.420039 2.972073 1.361678 ESP Fit Center 5809 is at 3.551729 2.134207 1.361678 ESP Fit Center 5810 is at 3.658104 2.553140 0.950888 ESP Fit Center 5811 is at 3.637108 2.967147 0.950888 ESP Fit Center 5812 is at 3.574335 3.376906 0.950888 ESP Fit Center 5813 is at 3.470430 3.778212 0.950888 ESP Fit Center 5814 is at 3.326458 4.166946 0.950888 ESP Fit Center 5815 is at 3.143898 4.539121 0.950888 ESP Fit Center 5816 is at 2.924621 4.890918 0.950888 ESP Fit Center 5817 is at 2.670880 5.218725 0.950888 ESP Fit Center 5818 is at 2.385276 5.519180 0.950888 ESP Fit Center 5819 is at 2.070741 5.789199 0.950888 ESP Fit Center 5820 is at 1.730503 6.026012 0.950888 ESP Fit Center 5821 is at 1.368052 6.227189 0.950888 ESP Fit Center 5822 is at 0.987108 6.390665 0.950888 ESP Fit Center 5823 is at 0.591580 6.514762 0.950888 ESP Fit Center 5824 is at 0.185527 6.598208 0.950888 ESP Fit Center 5825 is at -0.226886 6.640147 0.950888 ESP Fit Center 5826 is at -0.641425 6.640147 0.950888 ESP Fit Center 5827 is at -1.053837 6.598208 0.950888 ESP Fit Center 5828 is at -1.459890 6.514762 0.950888 ESP Fit Center 5829 is at -1.855418 6.390665 0.950888 ESP Fit Center 5830 is at -2.236362 6.227189 0.950888 ESP Fit Center 5831 is at -2.598813 6.026012 0.950888 ESP Fit Center 5832 is at -2.939051 5.789199 0.950888 ESP Fit Center 5833 is at -3.253586 5.519180 0.950888 ESP Fit Center 5834 is at -3.539190 5.218725 0.950888 ESP Fit Center 5835 is at -3.792931 4.890918 0.950888 ESP Fit Center 5836 is at -4.012208 4.539121 0.950888 ESP Fit Center 5837 is at -4.194768 4.166946 0.950888 ESP Fit Center 5838 is at -4.338740 3.778212 0.950888 ESP Fit Center 5839 is at -4.442645 3.376906 0.950888 ESP Fit Center 5840 is at -4.505418 2.967147 0.950888 ESP Fit Center 5841 is at 3.679318 2.971439 0.533664 ESP Fit Center 5842 is at 3.615894 3.385446 0.533664 ESP Fit Center 5843 is at 3.510912 3.790913 0.533664 ESP Fit Center 5844 is at 3.365447 4.183678 0.533664 ESP Fit Center 5845 is at 3.180994 4.559712 0.533664 ESP Fit Center 5846 is at 2.959444 4.915155 0.533664 ESP Fit Center 5847 is at 2.703072 5.246361 0.533664 ESP Fit Center 5848 is at 2.414507 5.549931 0.533664 ESP Fit Center 5849 is at 2.096711 5.822750 0.533664 ESP Fit Center 5850 is at 1.752945 6.062018 0.533664 ESP Fit Center 5851 is at 1.386737 6.265280 0.533664 ESP Fit Center 5852 is at 1.001843 6.430451 0.533664 ESP Fit Center 5853 is at 0.602215 6.555835 0.533664 ESP Fit Center 5854 is at 0.191951 6.640147 0.533664 ESP Fit Center 5855 is at -0.224737 6.682520 0.533664 ESP Fit Center 5856 is at -0.643573 6.682520 0.533664 ESP Fit Center 5857 is at -1.060261 6.640147 0.533664 ESP Fit Center 5858 is at -1.470525 6.555835 0.533664 ESP Fit Center 5859 is at -1.870153 6.430451 0.533664 ESP Fit Center 5860 is at -2.255047 6.265280 0.533664 ESP Fit Center 5861 is at -2.621255 6.062018 0.533664 ESP Fit Center 5862 is at -2.965021 5.822750 0.533664 ESP Fit Center 5863 is at -3.282817 5.549931 0.533664 ESP Fit Center 5864 is at -3.571382 5.246361 0.533664 ESP Fit Center 5865 is at -3.827754 4.915155 0.533664 ESP Fit Center 5866 is at -4.049304 4.559712 0.533664 ESP Fit Center 5867 is at -4.233757 4.183678 0.533664 ESP Fit Center 5868 is at -4.379222 3.790913 0.533664 ESP Fit Center 5869 is at -4.484204 3.385446 0.533664 ESP Fit Center 5870 is at 3.679318 2.971439 0.114289 ESP Fit Center 5871 is at 3.615894 3.385446 0.114289 ESP Fit Center 5872 is at 3.510912 3.790913 0.114289 ESP Fit Center 5873 is at 3.365447 4.183678 0.114289 ESP Fit Center 5874 is at 3.180994 4.559712 0.114289 ESP Fit Center 5875 is at 2.959444 4.915155 0.114289 ESP Fit Center 5876 is at 2.703072 5.246361 0.114289 ESP Fit Center 5877 is at 2.414507 5.549931 0.114289 ESP Fit Center 5878 is at 2.096711 5.822750 0.114289 ESP Fit Center 5879 is at 1.752945 6.062018 0.114289 ESP Fit Center 5880 is at 1.386737 6.265280 0.114289 ESP Fit Center 5881 is at 1.001843 6.430451 0.114289 ESP Fit Center 5882 is at 0.602215 6.555835 0.114289 ESP Fit Center 5883 is at 0.191951 6.640147 0.114289 ESP Fit Center 5884 is at -0.224737 6.682520 0.114289 ESP Fit Center 5885 is at -0.643573 6.682520 0.114289 ESP Fit Center 5886 is at -1.060261 6.640147 0.114289 ESP Fit Center 5887 is at -1.470525 6.555835 0.114289 ESP Fit Center 5888 is at -1.870153 6.430451 0.114289 ESP Fit Center 5889 is at -2.255047 6.265280 0.114289 ESP Fit Center 5890 is at -2.621255 6.062018 0.114289 ESP Fit Center 5891 is at -2.965021 5.822750 0.114289 ESP Fit Center 5892 is at -3.282817 5.549931 0.114289 ESP Fit Center 5893 is at -3.571382 5.246361 0.114289 ESP Fit Center 5894 is at -3.827754 4.915155 0.114289 ESP Fit Center 5895 is at -4.049304 4.559712 0.114289 ESP Fit Center 5896 is at -4.233757 4.183678 0.114289 ESP Fit Center 5897 is at -4.379222 3.790913 0.114289 ESP Fit Center 5898 is at -4.484204 3.385446 0.114289 ESP Fit Center 5899 is at 3.574335 3.376906 -0.302934 ESP Fit Center 5900 is at 3.470430 3.778212 -0.302934 ESP Fit Center 5901 is at 3.326458 4.166946 -0.302934 ESP Fit Center 5902 is at 3.143898 4.539121 -0.302934 ESP Fit Center 5903 is at 2.924621 4.890918 -0.302934 ESP Fit Center 5904 is at 2.670880 5.218725 -0.302934 ESP Fit Center 5905 is at 2.385276 5.519180 -0.302934 ESP Fit Center 5906 is at 2.070741 5.789199 -0.302934 ESP Fit Center 5907 is at 1.730503 6.026012 -0.302934 ESP Fit Center 5908 is at 1.368052 6.227189 -0.302934 ESP Fit Center 5909 is at 0.987108 6.390665 -0.302934 ESP Fit Center 5910 is at 0.591580 6.514762 -0.302934 ESP Fit Center 5911 is at 0.185527 6.598208 -0.302934 ESP Fit Center 5912 is at -0.226886 6.640147 -0.302934 ESP Fit Center 5913 is at -0.641425 6.640147 -0.302934 ESP Fit Center 5914 is at -1.053837 6.598208 -0.302934 ESP Fit Center 5915 is at -1.459890 6.514762 -0.302934 ESP Fit Center 5916 is at -1.855418 6.390665 -0.302934 ESP Fit Center 5917 is at -2.236362 6.227189 -0.302934 ESP Fit Center 5918 is at -2.598813 6.026012 -0.302934 ESP Fit Center 5919 is at -2.939051 5.789199 -0.302934 ESP Fit Center 5920 is at -3.253586 5.519180 -0.302934 ESP Fit Center 5921 is at -3.539190 5.218725 -0.302934 ESP Fit Center 5922 is at -3.792931 4.890918 -0.302934 ESP Fit Center 5923 is at -4.012208 4.539121 -0.302934 ESP Fit Center 5924 is at -4.194768 4.166946 -0.302934 ESP Fit Center 5925 is at -4.338740 3.778212 -0.302934 ESP Fit Center 5926 is at -4.442645 3.376906 -0.302934 ESP Fit Center 5927 is at 3.486103 3.386417 -0.713725 ESP Fit Center 5928 is at 3.377527 3.791631 -0.713725 ESP Fit Center 5929 is at 3.227188 4.183275 -0.713725 ESP Fit Center 5930 is at 3.036736 4.557060 -0.713725 ESP Fit Center 5931 is at 2.808255 4.908889 -0.713725 ESP Fit Center 5932 is at 2.544250 5.234908 -0.713725 ESP Fit Center 5933 is at 2.247613 5.531545 -0.713725 ESP Fit Center 5934 is at 1.921594 5.795550 -0.713725 ESP Fit Center 5935 is at 1.569765 6.024031 -0.713725 ESP Fit Center 5936 is at 1.195980 6.214484 -0.713725 ESP Fit Center 5937 is at 0.804335 6.364822 -0.713725 ESP Fit Center 5938 is at 0.399122 6.473399 -0.713725 ESP Fit Center 5939 is at -0.015222 6.539024 -0.713725 ESP Fit Center 5940 is at -0.434155 6.560979 -0.713725 ESP Fit Center 5941 is at -0.853088 6.539024 -0.713725 ESP Fit Center 5942 is at -1.267432 6.473399 -0.713725 ESP Fit Center 5943 is at -1.672645 6.364822 -0.713725 ESP Fit Center 5944 is at -2.064290 6.214484 -0.713725 ESP Fit Center 5945 is at -2.438075 6.024031 -0.713725 ESP Fit Center 5946 is at -2.789904 5.795550 -0.713725 ESP Fit Center 5947 is at -3.115923 5.531545 -0.713725 ESP Fit Center 5948 is at -3.412560 5.234908 -0.713725 ESP Fit Center 5949 is at -3.676565 4.908889 -0.713725 ESP Fit Center 5950 is at -3.905046 4.557060 -0.713725 ESP Fit Center 5951 is at -4.095498 4.183275 -0.713725 ESP Fit Center 5952 is at -4.245837 3.791631 -0.713725 ESP Fit Center 5953 is at -4.354413 3.386417 -0.713725 ESP Fit Center 5954 is at 3.360412 3.373790 -1.113867 ESP Fit Center 5955 is at 3.251685 3.772478 -1.113867 ESP Fit Center 5956 is at 3.101197 4.157351 -1.113867 ESP Fit Center 5957 is at 2.910651 4.524048 -1.113867 ESP Fit Center 5958 is at 2.682207 4.868413 -1.113867 ESP Fit Center 5959 is at 2.418454 5.186546 -1.113867 ESP Fit Center 5960 is at 2.122380 5.474841 -1.113867 ESP Fit Center 5961 is at 1.797339 5.730032 -1.113867 ESP Fit Center 5962 is at 1.447014 5.949227 -1.113867 ESP Fit Center 5963 is at 1.075375 6.129944 -1.113867 ESP Fit Center 5964 is at 0.686632 6.270134 -1.113867 ESP Fit Center 5965 is at 0.285190 6.368209 -1.113867 ESP Fit Center 5966 is at -0.124402 6.423057 -1.113867 ESP Fit Center 5967 is at -0.537504 6.434058 -1.113867 ESP Fit Center 5968 is at -0.949435 6.401087 -1.113867 ESP Fit Center 5969 is at -1.355527 6.324516 -1.113867 ESP Fit Center 5970 is at -1.751180 6.205215 -1.113867 ESP Fit Center 5971 is at -2.131911 6.044534 -1.113867 ESP Fit Center 5972 is at -2.493405 5.844294 -1.113867 ESP Fit Center 5973 is at -2.831567 5.606764 -1.113867 ESP Fit Center 5974 is at -3.142566 5.334636 -1.113867 ESP Fit Center 5975 is at -3.422877 5.030992 -1.113867 ESP Fit Center 5976 is at -3.669324 4.699272 -1.113867 ESP Fit Center 5977 is at -3.879116 4.343237 -1.113867 ESP Fit Center 5978 is at -4.049876 3.966919 -1.113867 ESP Fit Center 5979 is at -4.179667 3.574582 -1.113867 ESP Fit Center 5980 is at -4.267021 3.170671 -1.113867 ESP Fit Center 5981 is at 3.189565 3.380231 -1.499255 ESP Fit Center 5982 is at 3.074175 3.780758 -1.499255 ESP Fit Center 5983 is at 2.914666 4.165847 -1.499255 ESP Fit Center 5984 is at 2.713043 4.530656 -1.499255 ESP Fit Center 5985 is at 2.471843 4.870596 -1.499255 ESP Fit Center 5986 is at 2.194098 5.181393 -1.499255 ESP Fit Center 5987 is at 1.883301 5.459138 -1.499255 ESP Fit Center 5988 is at 1.543361 5.700338 -1.499255 ESP Fit Center 5989 is at 1.178552 5.901961 -1.499255 ESP Fit Center 5990 is at 0.793463 6.061470 -1.499255 ESP Fit Center 5991 is at 0.392935 6.176860 -1.499255 ESP Fit Center 5992 is at -0.017993 6.246680 -1.499255 ESP Fit Center 5993 is at -0.434155 6.270051 -1.499255 ESP Fit Center 5994 is at -0.850317 6.246680 -1.499255 ESP Fit Center 5995 is at -1.261245 6.176860 -1.499255 ESP Fit Center 5996 is at -1.661773 6.061470 -1.499255 ESP Fit Center 5997 is at -2.046862 5.901961 -1.499255 ESP Fit Center 5998 is at -2.411671 5.700338 -1.499255 ESP Fit Center 5999 is at 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Fit Center 6036 is at 2.189522 4.511241 -2.210142 ESP Fit Center 6037 is at 1.917585 4.830674 -2.210142 ESP Fit Center 6038 is at 1.607033 5.112709 -2.210142 ESP Fit Center 6039 is at 1.262965 5.352716 -2.210142 ESP Fit Center 6040 is at 0.891029 5.546755 -2.210142 ESP Fit Center 6041 is at 0.497335 5.691638 -2.210142 ESP Fit Center 6042 is at 0.088345 5.784987 -2.210142 ESP Fit Center 6043 is at -0.329224 5.825270 -2.210142 ESP Fit Center 6044 is at -0.748516 5.811824 -2.210142 ESP Fit Center 6045 is at -1.162647 5.744870 -2.210142 ESP Fit Center 6046 is at -1.564815 5.625509 -2.210142 ESP Fit Center 6047 is at -1.948418 5.455699 -2.210142 ESP Fit Center 6048 is at -2.307157 5.238230 -2.210142 ESP Fit Center 6049 is at -2.635141 4.976671 -2.210142 ESP Fit Center 6050 is at -2.926986 4.675318 -2.210142 ESP Fit Center 6051 is at -3.177898 4.339119 -2.210142 ESP Fit Center 6052 is at -3.383757 3.973594 -2.210142 ESP Fit Center 6053 is at -3.541185 3.584745 -2.210142 ESP Fit Center 6054 is at -3.647595 3.178957 -2.210142 ESP Fit Center 6055 is at -3.701240 2.762894 -2.210142 ESP Fit Center 6056 is at -3.701240 2.343386 -2.210142 ESP Fit Center 6057 is at 2.537285 2.970749 -2.528346 ESP Fit Center 6058 is at 2.450247 3.380229 -2.528346 ESP Fit Center 6059 is at 2.307068 3.773611 -2.528346 ESP Fit Center 6060 is at 2.110534 4.143238 -2.528346 ESP Fit Center 6061 is at 1.864470 4.481916 -2.528346 ESP Fit Center 6062 is at 1.573666 4.783052 -2.528346 ESP Fit Center 6063 is at 1.243783 5.040785 -2.528346 ESP Fit Center 6064 is at 0.881240 5.250099 -2.528346 ESP Fit Center 6065 is at 0.493094 5.406920 -2.528346 ESP Fit Center 6066 is at 0.086901 5.508196 -2.528346 ESP Fit Center 6067 is at -0.329434 5.551954 -2.528346 ESP Fit Center 6068 is at -0.747808 5.537344 -2.528346 ESP Fit Center 6069 is at -1.160076 5.464650 -2.528346 ESP Fit Center 6070 is at -1.558215 5.335287 -2.528346 ESP Fit Center 6071 is at -1.934476 5.151772 -2.528346 ESP Fit Center 6072 is at -2.281535 4.917678 -2.528346 ESP Fit Center 6073 is at -2.592636 4.637561 -2.528346 ESP Fit Center 6074 is at -2.861725 4.316873 -2.528346 ESP Fit Center 6075 is at -3.083565 3.961856 -2.528346 ESP Fit Center 6076 is at -3.253836 3.579420 -2.528346 ESP Fit Center 6077 is at -3.369226 3.177009 -2.528346 ESP Fit Center 6078 is at -3.427488 2.762454 -2.528346 ESP Fit Center 6079 is at -3.427488 2.343826 -2.528346 ESP Fit Center 6080 is at -3.369226 1.929272 -2.528346 ESP Fit Center 6081 is at -3.253836 1.526860 -2.528346 ESP Fit Center 6082 is at -1.558215 -0.229007 -2.528346 ESP Fit Center 6083 is at 2.262527 2.553140 -2.817282 ESP Fit Center 6084 is at 2.230923 2.964787 -2.817282 ESP Fit Center 6085 is at 2.136852 3.366785 -2.817282 ESP Fit Center 6086 is at 1.982519 3.749711 -2.817282 ESP Fit Center 6087 is at 1.771540 4.104592 -2.817282 ESP Fit Center 6088 is at 1.508863 4.423107 -2.817282 ESP Fit Center 6089 is at 1.200642 4.697792 -2.817282 ESP Fit Center 6090 is at 0.854103 4.922208 -2.817282 ESP Fit Center 6091 is at 0.477369 5.091096 -2.817282 ESP Fit Center 6092 is at 0.079269 5.200495 -2.817282 ESP Fit Center 6093 is at -0.330865 5.247843 -2.817282 ESP Fit Center 6094 is at -0.743420 5.232030 -2.817282 ESP Fit Center 6095 is at -1.148726 5.153425 -2.817282 ESP Fit Center 6096 is at -1.537283 5.013872 -2.817282 ESP Fit Center 6097 is at -1.899984 4.816642 -2.817282 ESP Fit Center 6098 is at -2.228327 4.566357 -2.817282 ESP Fit Center 6099 is at -2.514616 4.268884 -2.817282 ESP Fit Center 6100 is at -2.752141 3.931195 -2.817282 ESP Fit Center 6101 is at -2.935334 3.561206 -2.817282 ESP Fit Center 6102 is at -3.059902 3.167589 -2.817282 ESP Fit Center 6103 is at -3.122924 2.759569 -2.817282 ESP Fit Center 6104 is at -3.122924 2.346711 -2.817282 ESP Fit Center 6105 is at -3.059902 1.938692 -2.817282 ESP Fit Center 6106 is at -2.935334 1.545074 -2.817282 ESP Fit Center 6107 is at -2.752141 1.175085 -2.817282 ESP Fit Center 6108 is at -2.514616 0.837397 -2.817282 ESP Fit Center 6109 is at -2.228327 0.539923 -2.817282 ESP Fit Center 6110 is at -1.899984 0.289638 -2.817282 ESP Fit Center 6111 is at -1.537283 0.092408 -2.817282 ESP Fit Center 6112 is at -1.148726 -0.047145 -2.817282 ESP Fit Center 6113 is at -0.743420 -0.125749 -2.817282 ESP Fit Center 6114 is at -0.330865 -0.141563 -2.817282 ESP Fit Center 6115 is at 0.079269 -0.094215 -2.817282 ESP Fit Center 6116 is at 0.477369 0.015185 -2.817282 ESP Fit Center 6117 is at 0.854103 0.184072 -2.817282 ESP Fit Center 6118 is at 1.200642 0.408488 -2.817282 ESP Fit Center 6119 is at 1.930895 2.553140 -3.073984 ESP Fit Center 6120 is at 1.892888 2.975436 -3.073984 ESP Fit Center 6121 is at 1.780088 3.384159 -3.073984 ESP Fit Center 6122 is at 1.596120 3.766173 -3.073984 ESP Fit Center 6123 is at 1.346897 4.109198 -3.073984 ESP Fit Center 6124 is at 1.040430 4.402211 -3.073984 ESP Fit Center 6125 is at 0.686568 4.635793 -3.073984 ESP Fit Center 6126 is at 0.296686 4.802437 -3.073984 ESP Fit Center 6127 is at -0.116687 4.896786 -3.073984 ESP Fit Center 6128 is at -0.540263 4.915809 -3.073984 ESP Fit Center 6129 is at -0.960428 4.858894 -3.073984 ESP Fit Center 6130 is at -1.363679 4.727870 -3.073984 ESP Fit Center 6131 is at -1.737054 4.526948 -3.073984 ESP Fit Center 6132 is at -2.068553 4.262586 -3.073984 ESP Fit Center 6133 is at -2.347521 3.943282 -3.073984 ESP Fit Center 6134 is at -2.564992 3.579297 -3.073984 ESP Fit Center 6135 is at -2.713976 3.182331 -3.073984 ESP Fit Center 6136 is at -2.789684 2.765142 -3.073984 ESP Fit Center 6137 is at -2.789684 2.341139 -3.073984 ESP Fit Center 6138 is at -2.713976 1.923950 -3.073984 ESP Fit Center 6139 is at -2.564992 1.526983 -3.073984 ESP Fit Center 6140 is at -2.347521 1.162998 -3.073984 ESP Fit Center 6141 is at -2.068553 0.843694 -3.073984 ESP Fit Center 6142 is at -1.737054 0.579332 -3.073984 ESP Fit Center 6143 is at -1.363679 0.378411 -3.073984 ESP Fit Center 6144 is at -0.960428 0.247386 -3.073984 ESP Fit Center 6145 is at 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Fit Center 6182 is at 1.401295 1.735945 -3.295818 ESP Fit Center 6183 is at 1.531090 2.135414 -3.295818 ESP Fit Center 6184 is at 1.198478 2.553140 -3.480509 ESP Fit Center 6185 is at 1.142848 2.975697 -3.480509 ESP Fit Center 6186 is at 0.979747 3.369457 -3.480509 ESP Fit Center 6187 is at 0.720291 3.707586 -3.480509 ESP Fit Center 6188 is at 0.382162 3.967042 -3.480509 ESP Fit Center 6189 is at -0.011598 4.130143 -3.480509 ESP Fit Center 6190 is at -0.434155 4.185773 -3.480509 ESP Fit Center 6191 is at -0.856712 4.130143 -3.480509 ESP Fit Center 6192 is at -1.250472 3.967042 -3.480509 ESP Fit Center 6193 is at -1.588601 3.707586 -3.480509 ESP Fit Center 6194 is at -1.848057 3.369457 -3.480509 ESP Fit Center 6195 is at -2.011158 2.975697 -3.480509 ESP Fit Center 6196 is at -2.066788 2.553140 -3.480509 ESP Fit Center 6197 is at -2.011158 2.130584 -3.480509 ESP Fit Center 6198 is at -1.848057 1.736824 -3.480509 ESP Fit Center 6199 is at -1.588601 1.398694 -3.480509 ESP Fit Center 6200 is at -1.250472 1.139238 -3.480509 ESP Fit Center 6201 is at -0.856712 0.976138 -3.480509 ESP Fit Center 6202 is at -0.434155 0.920507 -3.480509 ESP Fit Center 6203 is at -0.011598 0.976138 -3.480509 ESP Fit Center 6204 is at 0.382162 1.139238 -3.480509 ESP Fit Center 6205 is at 0.720291 1.398694 -3.480509 ESP Fit Center 6206 is at 0.979747 1.736824 -3.480509 ESP Fit Center 6207 is at 1.142848 2.130584 -3.480509 ESP Fit Center 6208 is at 0.805208 2.553140 -3.626160 ESP Fit Center 6209 is at 0.730466 2.977027 -3.626160 ESP Fit Center 6210 is at 0.515252 3.349788 -3.626160 ESP Fit Center 6211 is at 0.185527 3.626460 -3.626160 ESP Fit Center 6212 is at -0.218942 3.773675 -3.626160 ESP Fit Center 6213 is at -0.649368 3.773675 -3.626160 ESP Fit Center 6214 is at -1.053837 3.626460 -3.626160 ESP Fit Center 6215 is at -1.383562 3.349788 -3.626160 ESP Fit Center 6216 is at -1.598776 2.977027 -3.626160 ESP Fit Center 6217 is at -1.673518 2.553140 -3.626160 ESP Fit Center 6218 is at -1.598776 2.129253 -3.626160 ESP Fit Center 6219 is at -1.383562 1.756493 -3.626160 ESP Fit Center 6220 is at -1.053837 1.479820 -3.626160 ESP Fit Center 6221 is at -0.649368 1.332606 -3.626160 ESP Fit Center 6222 is at -0.218942 1.332606 -3.626160 ESP Fit Center 6223 is at 0.185527 1.479820 -3.626160 ESP Fit Center 6224 is at 0.515252 1.756493 -3.626160 ESP Fit Center 6225 is at 0.730466 2.129253 -3.626160 ESP Fit Center 6226 is at 0.399221 2.553140 -3.731277 ESP Fit Center 6227 is at 0.287570 2.969828 -3.731277 ESP Fit Center 6228 is at -0.017467 3.274865 -3.731277 ESP Fit Center 6229 is at -0.434155 3.386516 -3.731277 ESP Fit Center 6230 is at -0.850843 3.274865 -3.731277 ESP Fit Center 6231 is at -1.155880 2.969828 -3.731277 ESP Fit Center 6232 is at -1.267531 2.553140 -3.731277 ESP Fit Center 6233 is at -1.155880 2.136452 -3.731277 ESP Fit Center 6234 is at -0.850843 1.831415 -3.731277 ESP Fit Center 6235 is at -0.434155 1.719764 -3.731277 ESP Fit Center 6236 is at -0.017467 1.831415 -3.731277 ESP Fit Center 6237 is at 0.287570 2.136452 -3.731277 ESP Fit Center 6238 is at -0.015318 2.553140 -3.794782 ESP Fit Center 6239 is at -0.224737 2.915864 -3.794782 ESP Fit Center 6240 is at -0.643573 2.915864 -3.794782 ESP Fit Center 6241 is at -0.852992 2.553140 -3.794782 ESP Fit Center 6242 is at -0.643573 2.190417 -3.794782 ESP Fit Center 6243 is at -0.224737 2.190417 -3.794782 ESP Fit Center 6244 is at -0.434155 2.553140 -3.816023 ESP Fit Center 6245 is at -4.934091 -0.381222 3.884369 ESP Fit Center 6246 is at -4.512696 -0.381222 3.842865 ESP Fit Center 6247 is at -4.723393 -0.016283 3.842865 ESP Fit Center 6248 is at -5.144789 -0.016283 3.842865 ESP Fit Center 6249 is at -5.355486 -0.381222 3.842865 ESP Fit Center 6250 is at -5.144789 -0.746160 3.842865 ESP Fit Center 6251 is at -4.723393 -0.746160 3.842865 ESP Fit Center 6252 is at -4.107495 -0.381222 3.719949 ESP Fit Center 6253 is at -4.218238 0.032076 3.719949 ESP Fit Center 6254 is at -4.520793 0.334632 3.719949 ESP Fit Center 6255 is at -4.934091 0.445375 3.719949 ESP Fit Center 6256 is at -5.347389 0.334632 3.719949 ESP Fit Center 6257 is at -5.649944 0.032076 3.719949 ESP Fit Center 6258 is at -5.760687 -0.381222 3.719949 ESP Fit Center 6259 is at -5.649944 -0.794520 3.719949 ESP Fit Center 6260 is at -5.347389 -1.097075 3.719949 ESP Fit Center 6261 is at -4.934091 -1.207818 3.719949 ESP Fit Center 6262 is at -4.520793 -1.097075 3.719949 ESP Fit Center 6263 is at -4.218238 -0.794520 3.719949 ESP Fit Center 6264 is at -3.734059 -0.381222 3.520344 ESP Fit Center 6265 is at -3.806430 0.029213 3.520344 ESP Fit Center 6266 is at -4.014813 0.390144 3.520344 ESP Fit Center 6267 is at -4.334075 0.658036 3.520344 ESP Fit Center 6268 is at -4.725708 0.800579 3.520344 ESP Fit Center 6269 is at -5.142474 0.800579 3.520344 ESP Fit Center 6270 is at -5.534107 0.658036 3.520344 ESP Fit Center 6271 is at -5.853369 0.390144 3.520344 ESP Fit Center 6272 is at -6.061752 0.029213 3.520344 ESP Fit Center 6273 is at -6.134123 -0.381222 3.520344 ESP Fit Center 6274 is at -6.061752 -0.791657 3.520344 ESP Fit Center 6275 is at -4.014813 -1.152587 3.520344 ESP Fit Center 6276 is at -3.806430 -0.791657 3.520344 ESP Fit Center 6277 is at -3.406740 -0.381222 3.251720 ESP Fit Center 6278 is at -3.463379 0.030853 3.251720 ESP Fit Center 6279 is at -3.629093 0.412365 3.251720 ESP Fit Center 6280 is at -3.891593 0.735021 3.251720 ESP Fit Center 6281 is at -4.231410 0.974890 3.251720 ESP Fit Center 6282 is at -4.623342 1.114183 3.251720 ESP Fit Center 6283 is at -5.038321 1.142568 3.251720 ESP Fit Center 6284 is at -5.445570 1.057941 3.251720 ESP Fit Center 6285 is at -5.814884 0.866578 3.251720 ESP Fit Center 6286 is at -6.118874 0.582671 3.251720 ESP Fit Center 6287 is at -6.334994 0.227277 3.251720 ESP Fit Center 6288 is at -6.447216 -0.173247 3.251720 ESP Fit Center 6289 is at -6.447216 -0.589196 3.251720 ESP Fit Center 6290 is at -3.629093 -1.174809 3.251720 ESP Fit Center 6291 is at -3.463379 -0.793296 3.251720 ESP Fit Center 6292 is at -3.138117 -0.381222 2.924401 ESP Fit Center 6293 is at -3.186527 0.032959 2.924401 ESP Fit Center 6294 is at -3.329150 0.424810 2.924401 ESP Fit Center 6295 is at -3.558295 0.773208 2.924401 ESP Fit Center 6296 is at -3.861609 1.059371 2.924401 ESP Fit Center 6297 is at -4.222742 1.267871 2.924401 ESP Fit Center 6298 is at -4.622223 1.387468 2.924401 ESP Fit Center 6299 is at -5.038518 1.411714 2.924401 ESP Fit Center 6300 is at -5.449182 1.339303 2.924401 ESP Fit Center 6301 is at -5.832078 1.174138 2.924401 ESP Fit Center 6302 is at -6.166563 0.925123 2.924401 ESP Fit Center 6303 is at -6.434606 0.605682 2.924401 ESP Fit Center 6304 is at -6.621755 0.233038 2.924401 ESP Fit Center 6305 is at -6.717922 -0.172722 2.924401 ESP Fit Center 6306 is at -3.186527 -0.795402 2.924401 ESP Fit Center 6307 is at -2.938511 -0.381222 2.550965 ESP Fit Center 6308 is at -2.982119 0.033683 2.550965 ESP Fit Center 6309 is at -3.936301 1.347001 2.550965 ESP Fit Center 6310 is at -4.317423 1.516688 2.550965 ESP Fit Center 6311 is at -4.725496 1.603426 2.550965 ESP Fit Center 6312 is at -5.142686 1.603426 2.550965 ESP Fit Center 6313 is at -5.550759 1.516688 2.550965 ESP Fit Center 6314 is at -5.931881 1.347001 2.550965 ESP Fit Center 6315 is at -6.269394 1.101783 2.550965 ESP Fit Center 6316 is at -6.548549 0.791751 2.550965 ESP Fit Center 6317 is at -6.757144 0.430454 2.550965 ESP Fit Center 6318 is at -4.123378 1.576014 2.145764 ESP Fit Center 6319 is at -4.520793 1.696568 2.145764 ESP Fit Center 6320 is at -4.934091 1.737275 2.145764 ESP Fit Center 6321 is at -5.347389 1.696568 2.145764 ESP Fit Center 6322 is at -5.744804 1.576014 2.145764 ESP Fit Center 6323 is at -6.111064 1.380244 2.145764 ESP Fit Center 6324 is at -6.432094 1.116781 2.145764 ESP Fit Center 6325 is at -6.695556 0.795752 2.145764 ESP Fit Center 6326 is at -4.831314 1.776332 1.724369 ESP Fit Center 6327 is at -5.241491 1.756793 1.724369 ESP Fit Center 6328 is at -5.640558 1.659980 1.724369 ESP Fit Center 6329 is at -6.014091 1.489393 1.724369 ESP Fit Center 6330 is at -6.348590 1.251197 1.724369 ESP Fit Center 6331 is at -6.631966 0.954002 1.724369 ESP Fit Center 6332 is at -6.111064 1.380244 1.302974 ESP Fit Center 6333 is at -6.855694 1.192583 0.881232 ESP Fit Center 6334 is at -7.064077 0.831653 0.881232 ESP Fit Center 6335 is at -6.817209 1.669017 0.612608 ESP Fit Center 6336 is at -7.121199 1.385110 0.612608 ESP Fit Center 6337 is at -7.337319 1.029716 0.612608 ESP Fit Center 6338 is at -7.449541 0.629192 0.612608 ESP Fit Center 6339 is at -6.834403 1.976577 0.285289 ESP Fit Center 6340 is at -7.168888 1.727562 0.285289 ESP Fit Center 6341 is at -7.436931 1.408122 0.285289 ESP Fit Center 6342 is at -7.624080 1.035477 0.285289 ESP Fit Center 6343 is at -7.720247 0.629718 0.285289 ESP Fit Center 6344 is at -7.720247 0.212718 0.285289 ESP Fit Center 6345 is at -6.934206 2.149441 -0.088146 ESP Fit Center 6346 is at -7.271720 1.904223 -0.088146 ESP Fit Center 6347 is at -7.550874 1.594190 -0.088146 ESP Fit Center 6348 is at -7.759469 1.232893 -0.088146 ESP Fit Center 6349 is at -7.888388 0.836122 -0.088146 ESP Fit Center 6350 is at -7.931996 0.421218 -0.088146 ESP Fit Center 6351 is at -7.888388 0.006314 -0.088146 ESP Fit Center 6352 is at -6.747130 2.378453 -0.493347 ESP Fit Center 6353 is at -7.113390 2.182683 -0.493347 ESP Fit Center 6354 is at -7.434419 1.919221 -0.493347 ESP Fit Center 6355 is at -7.697881 1.598191 -0.493347 ESP Fit Center 6356 is at -7.893651 1.231931 -0.493347 ESP Fit Center 6357 is at -8.014206 0.834516 -0.493347 ESP Fit Center 6358 is at -8.054912 0.421218 -0.493347 ESP Fit Center 6359 is at -8.014206 0.007920 -0.493347 ESP Fit Center 6360 is at -7.893651 -0.389495 -0.493347 ESP Fit Center 6361 is at -6.642883 2.462420 -0.914742 ESP Fit Center 6362 is at -7.016416 2.291833 -0.914742 ESP Fit Center 6363 is at -7.350915 2.053637 -0.914742 ESP Fit Center 6364 is at -7.634291 1.756441 -0.914742 ESP Fit Center 6365 is at -7.856301 1.410987 -0.914742 ESP Fit Center 6366 is at -8.008921 1.029760 -0.914742 ESP Fit Center 6367 is at -8.086635 0.626539 -0.914742 ESP Fit Center 6368 is at -8.086635 0.215897 -0.914742 ESP Fit Center 6369 is at -8.008921 -0.187324 -0.914742 ESP Fit Center 6370 is at -7.856301 -0.568551 -0.914742 ESP Fit Center 6371 is at -7.634291 -0.914006 -0.914742 ESP Fit Center 6372 is at -6.747130 2.378453 -1.336138 ESP Fit Center 6373 is at -7.113390 2.182683 -1.336138 ESP Fit Center 6374 is at -7.434419 1.919221 -1.336138 ESP Fit Center 6375 is at -7.697881 1.598191 -1.336138 ESP Fit Center 6376 is at -7.893651 1.231931 -1.336138 ESP Fit Center 6377 is at -8.014206 0.834516 -1.336138 ESP Fit Center 6378 is at -8.054912 0.421218 -1.336138 ESP Fit Center 6379 is at -8.014206 0.007920 -1.336138 ESP Fit Center 6380 is at -7.893651 -0.389495 -1.336138 ESP Fit Center 6381 is at -7.697881 -0.755756 -1.336138 ESP Fit Center 6382 is at -7.434419 -1.076785 -1.336138 ESP Fit Center 6383 is at -7.113390 -1.340247 -1.336138 ESP Fit Center 6384 is at -6.553084 2.319127 -1.741339 ESP Fit Center 6385 is at -6.934206 2.149441 -1.741339 ESP Fit Center 6386 is at -7.271720 1.904223 -1.741339 ESP Fit Center 6387 is at -7.550874 1.594190 -1.741339 ESP Fit Center 6388 is at -7.759469 1.232893 -1.741339 ESP Fit Center 6389 is at -7.888388 0.836122 -1.741339 ESP Fit Center 6390 is at -7.931996 0.421218 -1.741339 ESP Fit Center 6391 is at -7.888388 0.006314 -1.741339 ESP Fit Center 6392 is at -7.759469 -0.390458 -1.741339 ESP Fit Center 6393 is at -7.550874 -0.751754 -1.741339 ESP Fit Center 6394 is at -7.271720 -1.061787 -1.741339 ESP Fit Center 6395 is at -6.934206 -1.307005 -1.741339 ESP Fit Center 6396 is at -6.451507 2.141743 -2.114774 ESP Fit Center 6397 is at -6.834403 1.976577 -2.114774 ESP Fit Center 6398 is at -7.168888 1.727562 -2.114774 ESP Fit Center 6399 is at -7.436931 1.408122 -2.114774 ESP Fit Center 6400 is at -7.624080 1.035477 -2.114774 ESP Fit Center 6401 is at -7.720247 0.629718 -2.114774 ESP Fit Center 6402 is at -7.720247 0.212718 -2.114774 ESP Fit Center 6403 is at -7.624080 -0.193042 -2.114774 ESP Fit Center 6404 is at -7.436931 -0.565686 -2.114774 ESP Fit Center 6405 is at -7.168888 -0.885127 -2.114774 ESP Fit Center 6406 is at -6.834403 -1.134142 -2.114774 ESP Fit Center 6407 is at -6.447895 1.860381 -2.442093 ESP Fit Center 6408 is at -6.817209 1.669017 -2.442093 ESP Fit Center 6409 is at -7.121199 1.385110 -2.442093 ESP Fit Center 6410 is at -7.337319 1.029716 -2.442093 ESP Fit Center 6411 is at -7.449541 0.629192 -2.442093 ESP Fit Center 6412 is at -7.449541 0.213244 -2.442093 ESP Fit Center 6413 is at -7.337319 -0.187280 -2.442093 ESP Fit Center 6414 is at -7.121199 -0.542675 -2.442093 ESP Fit Center 6415 is at -6.817209 -0.826582 -2.442093 ESP Fit Center 6416 is at -6.447895 -1.017945 -2.442093 ESP Fit Center 6417 is at -6.536432 1.460476 -2.710717 ESP Fit Center 6418 is at -6.855694 1.192583 -2.710717 ESP Fit Center 6419 is at -7.064077 0.831653 -2.710717 ESP Fit Center 6420 is at -7.136448 0.421218 -2.710717 ESP Fit Center 6421 is at -7.064077 0.010783 -2.710717 ESP Fit Center 6422 is at -6.855694 -0.350148 -2.710717 ESP Fit Center 6423 is at -6.536432 -0.618040 -2.710717 ESP Fit Center 6424 is at -6.144799 -0.760583 -2.710717 ESP Fit Center 6425 is at -6.349714 1.137071 -2.910322 ESP Fit Center 6426 is at -6.652269 0.834516 -2.910322 ESP Fit Center 6427 is at -6.763012 0.421218 -2.910322 ESP Fit Center 6428 is at -6.652269 0.007920 -2.910322 ESP Fit Center 6429 is at -6.349714 -0.294635 -2.910322 ESP Fit Center 6430 is at -6.147114 0.786157 -3.033239 ESP Fit Center 6431 is at -6.357811 0.421218 -3.033239 ESP Fit Center 6432 is at -6.147114 0.056279 -3.033239 ESP Fit Center 6433 is at 1.738388 -2.316612 3.049433 ESP Fit Center 6434 is at 2.153166 -2.316612 3.015064 ESP Fit Center 6435 is at 1.945777 -1.957403 3.015064 ESP Fit Center 6436 is at 1.530998 -1.957403 3.015064 ESP Fit Center 6437 is at 1.323609 -2.316612 3.015064 ESP Fit Center 6438 is at 1.530998 -2.675820 3.015064 ESP Fit Center 6439 is at 1.945777 -2.675820 3.015064 ESP Fit Center 6440 is at 2.556630 -2.316612 2.912893 ESP Fit Center 6441 is at 2.447007 -1.907490 2.912893 ESP Fit Center 6442 is at 2.147509 -1.607993 2.912893 ESP Fit Center 6443 is at 1.738388 -1.498369 2.912893 ESP Fit Center 6444 is at 1.329266 -1.607993 2.912893 ESP Fit Center 6445 is at 1.029769 -1.907490 2.912893 ESP Fit Center 6446 is at 0.920145 -2.316612 2.912893 ESP Fit Center 6447 is at 1.029769 -2.725733 2.912893 ESP Fit Center 6448 is at 1.329266 -3.025231 2.912893 ESP Fit Center 6449 is at 1.738388 -3.134854 2.912893 ESP Fit Center 6450 is at 2.147509 -3.025231 2.912893 ESP Fit Center 6451 is at 2.447007 -2.725733 2.912893 ESP Fit Center 6452 is at 0.819604 -1.545660 2.745707 ESP Fit Center 6453 is at 0.611332 -1.906397 2.745707 ESP Fit Center 6454 is at 0.539000 -2.316612 2.745707 ESP Fit Center 6455 is at 0.611332 -2.726826 2.745707 ESP Fit Center 6456 is at 0.819604 -3.087563 2.745707 ESP Fit Center 6457 is at 1.138694 -3.355312 2.745707 ESP Fit Center 6458 is at 1.530116 -3.497778 2.745707 ESP Fit Center 6459 is at 1.946659 -3.497778 2.745707 ESP Fit Center 6460 is at 2.338081 -3.355312 2.745707 ESP Fit Center 6461 is at 2.657172 -3.087563 2.745707 ESP Fit Center 6462 is at 0.537729 -1.339804 2.518067 ESP Fit Center 6463 is at 0.318713 -1.699960 2.518067 ESP Fit Center 6464 is at 0.204988 -2.105851 2.518067 ESP Fit Center 6465 is at 0.204988 -2.527373 2.518067 ESP Fit Center 6466 is at 0.318713 -2.933263 2.518067 ESP Fit Center 6467 is at 0.537729 -3.293420 2.518067 ESP Fit Center 6468 is at 0.845793 -3.581131 2.518067 ESP Fit Center 6469 is at 1.220056 -3.775058 2.518067 ESP Fit Center 6470 is at 1.632761 -3.860819 2.518067 ESP Fit Center 6471 is at 2.053300 -3.832054 2.518067 ESP Fit Center 6472 is at 2.450484 -3.690895 2.518067 ESP Fit Center 6473 is at 2.794854 -3.447811 2.518067 ESP Fit Center 6474 is at -0.103100 -2.531851 2.236183 ESP Fit Center 6475 is at -0.003825 -2.950725 2.236183 ESP Fit Center 6476 is at 0.189373 -3.335415 2.236183 ESP Fit Center 6477 is at 0.466079 -3.665180 2.236183 ESP Fit Center 6478 is at 0.811375 -3.922244 2.236183 ESP Fit Center 6479 is at 1.206647 -4.092748 2.236183 ESP Fit Center 6480 is at 1.630586 -4.167499 2.236183 ESP Fit Center 6481 is at 2.060336 -4.142469 2.236183 ESP Fit Center 6482 is at 2.472729 -4.019007 2.236183 ESP Fit Center 6483 is at 2.845534 -3.803768 2.236183 ESP Fit Center 6484 is at -0.106186 -3.340434 1.907743 ESP Fit Center 6485 is at 0.137666 -3.690786 1.907743 ESP Fit Center 6486 is at 0.447052 -3.984879 1.907743 ESP Fit Center 6487 is at 0.809306 -4.210674 1.907743 ESP Fit Center 6488 is at 1.209596 -4.358925 1.907743 ESP Fit Center 6489 is at 1.631535 -4.423564 1.907743 ESP Fit Center 6490 is at 2.057849 -4.401943 1.907743 ESP Fit Center 6491 is at 2.471083 -4.294949 1.907743 ESP Fit Center 6492 is at 2.854322 -4.106962 1.907743 ESP Fit Center 6493 is at -0.223700 -3.531485 1.541706 ESP Fit Center 6494 is at 0.032941 -3.871332 1.541706 ESP Fit Center 6495 is at 0.347658 -4.158235 1.541706 ESP Fit Center 6496 is at 0.709735 -4.382424 1.541706 ESP Fit Center 6497 is at 1.106842 -4.536264 1.541706 ESP Fit Center 6498 is at 1.525455 -4.614516 1.541706 ESP Fit Center 6499 is at 1.951320 -4.614516 1.541706 ESP Fit Center 6500 is at 2.369933 -4.536264 1.541706 ESP Fit Center 6501 is at 2.767040 -4.382424 1.541706 ESP Fit Center 6502 is at 3.129117 -4.158235 1.541706 ESP Fit Center 6503 is at -0.132974 -3.886870 1.148057 ESP Fit Center 6504 is at 0.168129 -4.187973 1.148057 ESP Fit Center 6505 is at 0.516943 -4.432215 1.148057 ESP Fit Center 6506 is at 0.902870 -4.612176 1.148057 ESP Fit Center 6507 is at 1.314184 -4.722387 1.148057 ESP Fit Center 6508 is at 1.738388 -4.759500 1.148057 ESP Fit Center 6509 is at 2.162591 -4.722387 1.148057 ESP Fit Center 6510 is at 2.573905 -4.612176 1.148057 ESP Fit Center 6511 is at 2.959832 -4.432215 1.148057 ESP Fit Center 6512 is at -0.074728 -4.054342 0.737533 ESP Fit Center 6513 is at 0.245030 -4.335764 0.737533 ESP Fit Center 6514 is at 0.607749 -4.559099 0.737533 ESP Fit Center 6515 is at 1.002995 -4.717922 0.737533 ESP Fit Center 6516 is at 1.419396 -4.807663 0.737533 ESP Fit Center 6517 is at 1.844974 -4.825742 0.737533 ESP Fit Center 6518 is at 2.267486 -4.771637 0.737533 ESP Fit Center 6519 is at 2.674777 -4.646906 0.737533 ESP Fit Center 6520 is at 3.055129 -4.455136 0.737533 ESP Fit Center 6521 is at 3.397601 -4.201845 0.737533 ESP Fit Center 6522 is at -0.074728 -4.054342 0.321333 ESP Fit Center 6523 is at 0.245030 -4.335764 0.321333 ESP Fit Center 6524 is at 0.607749 -4.559099 0.321333 ESP Fit Center 6525 is at 1.002995 -4.717922 0.321333 ESP Fit Center 6526 is at 1.419396 -4.807663 0.321333 ESP Fit Center 6527 is at 1.844974 -4.825742 0.321333 ESP Fit Center 6528 is at 2.267486 -4.771637 0.321333 ESP Fit Center 6529 is at 2.674777 -4.646906 0.321333 ESP Fit Center 6530 is at 3.055129 -4.455136 0.321333 ESP Fit Center 6531 is at 3.397601 -4.201845 0.321333 ESP Fit Center 6532 is at 0.168129 -4.187973 -0.089190 ESP Fit Center 6533 is at 0.516943 -4.432215 -0.089190 ESP Fit Center 6534 is at 0.902870 -4.612176 -0.089190 ESP Fit Center 6535 is at 1.314184 -4.722387 -0.089190 ESP Fit Center 6536 is at 1.738388 -4.759500 -0.089190 ESP Fit Center 6537 is at 2.162591 -4.722387 -0.089190 ESP Fit Center 6538 is at 2.573905 -4.612176 -0.089190 ESP Fit Center 6539 is at 2.959832 -4.432215 -0.089190 ESP Fit Center 6540 is at 3.308646 -4.187973 -0.089190 ESP Fit Center 6541 is at 3.609749 -3.886870 -0.089190 ESP Fit Center 6542 is at 0.347658 -4.158235 -0.482839 ESP Fit Center 6543 is at 0.709735 -4.382424 -0.482839 ESP Fit Center 6544 is at 1.106842 -4.536264 -0.482839 ESP Fit Center 6545 is at 1.525455 -4.614516 -0.482839 ESP Fit Center 6546 is at 1.951320 -4.614516 -0.482839 ESP Fit Center 6547 is at 2.369933 -4.536264 -0.482839 ESP Fit Center 6548 is at 2.767040 -4.382424 -0.482839 ESP Fit Center 6549 is at 3.129117 -4.158235 -0.482839 ESP Fit Center 6550 is at 3.443835 -3.871332 -0.482839 ESP Fit Center 6551 is at 0.447052 -3.984879 -0.848876 ESP Fit Center 6552 is at 0.809306 -4.210674 -0.848876 ESP Fit Center 6553 is at 1.209596 -4.358925 -0.848876 ESP Fit Center 6554 is at 1.631535 -4.423564 -0.848876 ESP Fit Center 6555 is at 2.057849 -4.401943 -0.848876 ESP Fit Center 6556 is at 2.471083 -4.294949 -0.848876 ESP Fit Center 6557 is at 2.854322 -4.106962 -0.848876 ESP Fit Center 6558 is at 3.191873 -3.845678 -0.848876 ESP Fit Center 6559 is at 3.469919 -3.521793 -0.848876 ESP Fit Center 6560 is at 0.466079 -3.665180 -1.177316 ESP Fit Center 6561 is at 0.811375 -3.922244 -1.177316 ESP Fit Center 6562 is at 1.206647 -4.092748 -1.177316 ESP Fit Center 6563 is at 1.630586 -4.167499 -1.177316 ESP Fit Center 6564 is at 2.060336 -4.142469 -1.177316 ESP Fit Center 6565 is at 2.472729 -4.019007 -1.177316 ESP Fit Center 6566 is at 2.845534 -3.803768 -1.177316 ESP Fit Center 6567 is at 3.158653 -3.508356 -1.177316 ESP Fit Center 6568 is at 3.395204 -3.148696 -1.177316 ESP Fit Center 6569 is at 0.845793 -3.581131 -1.459201 ESP Fit Center 6570 is at 1.220056 -3.775058 -1.459201 ESP Fit Center 6571 is at 1.632761 -3.860819 -1.459201 ESP Fit Center 6572 is at 2.053300 -3.832054 -1.459201 ESP Fit Center 6573 is at 2.450484 -3.690895 -1.459201 ESP Fit Center 6574 is at 2.794854 -3.447811 -1.459201 ESP Fit Center 6575 is at 3.060872 -3.120832 -1.459201 ESP Fit Center 6576 is at 0.819604 -3.087563 -1.686841 ESP Fit Center 6577 is at 1.138694 -3.355312 -1.686841 ESP Fit Center 6578 is at 1.530116 -3.497778 -1.686841 ESP Fit Center 6579 is at 1.946659 -3.497778 -1.686841 ESP Fit Center 6580 is at 2.338081 -3.355312 -1.686841 ESP Fit Center 6581 is at 2.657172 -3.087563 -1.686841 ESP Fit Center 6582 is at 1.029769 -2.725733 -1.854026 ESP Fit Center 6583 is at 1.329266 -3.025231 -1.854026 ESP Fit Center 6584 is at 1.738388 -3.134854 -1.854026 ESP Fit Center 6585 is at 2.147509 -3.025231 -1.854026 ESP Fit Center 6586 is at 2.960351 0.013280 2.566721 ESP Fit Center 6587 is at 3.164670 0.497867 2.404586 ESP Fit Center 6588 is at 2.764637 0.352267 2.404586 ESP Fit Center 6589 is at 3.788275 0.823659 2.183214 ESP Fit Center 6590 is at 3.377524 0.877735 2.183214 ESP Fit Center 6591 is at 2.966773 0.823659 2.183214 ESP Fit Center 6592 is at 4.205890 1.010834 1.908056 ESP Fit Center 6593 is at 3.802358 1.152036 1.908056 ESP Fit Center 6594 is at 3.377524 1.199903 1.908056 ESP Fit Center 6595 is at 3.377524 -3.115003 -1.226906 ESP Fit Center 6596 is at 3.481459 -2.891157 -1.588152 ESP Fit Center 6597 is at 3.892503 -2.832058 -1.588152 ESP Fit Center 6598 is at 2.952690 -2.570606 -1.910320 ESP Fit Center 6599 is at 3.377524 -2.618473 -1.910320 ESP Fit Center 6600 is at 3.802358 -2.570606 -1.910320 ESP Fit Center 6601 is at 4.205890 -2.429404 -1.910320 ESP Fit Center 6602 is at 4.567883 -2.201948 -1.910320 ESP Fit Center 6603 is at 2.966773 -2.242229 -2.185478 ESP Fit Center 6604 is at 3.377524 -2.296305 -2.185478 ESP Fit Center 6605 is at 3.788275 -2.242229 -2.185478 ESP Fit Center 6606 is at 4.171034 -2.083685 -2.185478 ESP Fit Center 6607 is at 2.764637 -1.770837 -2.406850 ESP Fit Center 6608 is at 3.164670 -1.916437 -2.406850 ESP Fit Center 6609 is at 3.590377 -1.916437 -2.406850 ESP Fit Center 6610 is at 4.394003 -1.388470 3.362468 ESP Fit Center 6611 is at 4.816377 -1.388470 3.329227 ESP Fit Center 6612 is at 4.605190 -1.022685 3.329227 ESP Fit Center 6613 is at 4.182817 -1.022685 3.329227 ESP Fit Center 6614 is at 3.971630 -1.388470 3.329227 ESP Fit Center 6615 is at 5.228349 -1.388470 3.230321 ESP Fit Center 6616 is at 5.116568 -0.971298 3.230321 ESP Fit Center 6617 is at 4.811176 -0.665906 3.230321 ESP Fit Center 6618 is at 4.394003 -0.554125 3.230321 ESP Fit Center 6619 is at 3.976831 -0.665906 3.230321 ESP Fit Center 6620 is at 3.671439 -0.971298 3.230321 ESP Fit Center 6621 is at 3.559658 -1.388470 3.230321 ESP Fit Center 6622 is at 5.116568 -1.805643 3.230321 ESP Fit Center 6623 is at 5.006891 -0.326919 3.068186 ESP Fit Center 6624 is at 4.606857 -0.181318 3.068186 ESP Fit Center 6625 is at 4.181150 -0.181318 3.068186 ESP Fit Center 6626 is at 3.781116 -0.326919 3.068186 ESP Fit Center 6627 is at 3.455006 -0.600558 3.068186 ESP Fit Center 6628 is at 3.242152 -0.969231 3.068186 ESP Fit Center 6629 is at 3.168229 -1.388470 3.068186 ESP Fit Center 6630 is at 4.804755 0.144473 2.846814 ESP Fit Center 6631 is at 4.394003 0.198550 2.846814 ESP Fit Center 6632 is at 3.983252 0.144473 2.846814 ESP Fit Center 6633 is at 3.600493 -0.014071 2.846814 ESP Fit Center 6634 is at 3.271811 -0.266278 2.846814 ESP Fit Center 6635 is at 3.019604 -0.594960 2.846814 ESP Fit Center 6636 is at 2.861060 -0.977719 2.846814 ESP Fit Center 6637 is at 2.806983 -1.388470 2.846814 ESP Fit Center 6638 is at 4.394003 0.520718 2.571657 ESP Fit Center 6639 is at 3.969169 0.472851 2.571657 ESP Fit Center 6640 is at 3.565638 0.331649 2.571657 ESP Fit Center 6641 is at 3.203644 0.104193 2.571657 ESP Fit Center 6642 is at 4.497939 0.793401 2.249488 ESP Fit Center 6643 is at 4.083139 0.773642 2.249488 ESP Fit Center 6644 is at 4.394003 1.017247 1.888243 ESP Fit Center 6645 is at 5.306649 -3.929549 0.662468 ESP Fit Center 6646 is at 5.683847 -3.760454 0.662468 ESP Fit Center 6647 is at 4.811176 -4.022397 0.240095 ESP Fit Center 6648 is at 5.218077 -3.924709 0.240095 ESP Fit Center 6649 is at 5.604686 -3.764570 0.240095 ESP Fit Center 6650 is at 3.763633 -3.877747 -0.171878 ESP Fit Center 6651 is at 4.181952 -3.947553 -0.171878 ESP Fit Center 6652 is at 4.606055 -3.947553 -0.171878 ESP Fit Center 6653 is at 5.024374 -3.877747 -0.171878 ESP Fit Center 6654 is at 5.425498 -3.740041 -0.171878 ESP Fit Center 6655 is at 3.976255 -3.757640 -0.563306 ESP Fit Center 6656 is at 4.394003 -3.794188 -0.563306 ESP Fit Center 6657 is at 4.811752 -3.757640 -0.563306 ESP Fit Center 6658 is at 5.216807 -3.649106 -0.563306 ESP Fit Center 6659 is at 5.596862 -3.471883 -0.563306 ESP Fit Center 6660 is at 3.679574 -3.452679 -0.924552 ESP Fit Center 6661 is at 4.083139 -3.550583 -0.924552 ESP Fit Center 6662 is at 4.497939 -3.570342 -0.924552 ESP Fit Center 6663 is at 4.908983 -3.511243 -0.924552 ESP Fit Center 6664 is at 5.301414 -3.375421 -0.924552 ESP Fit Center 6665 is at 3.565638 -3.108590 -1.246720 ESP Fit Center 6666 is at 3.969169 -3.249791 -1.246720 ESP Fit Center 6667 is at 4.394003 -3.297659 -1.246720 ESP Fit Center 6668 is at 4.818838 -3.249791 -1.246720 ESP Fit Center 6669 is at 5.222369 -3.108590 -1.246720 ESP Fit Center 6670 is at 3.983252 -2.921414 -1.521878 ESP Fit Center 6671 is at 4.394003 -2.975491 -1.521878 ESP Fit Center 6672 is at 4.804755 -2.921414 -1.521878 ESP Fit Center 6673 is at 5.187514 -2.762870 -1.521878 ESP Fit Center 6674 is at 4.606857 -2.595623 -1.743249 ESP Fit Center 6675 is at 5.006891 -2.450022 -1.743249 ESP Fit Center 6676 is at 4.811176 -2.111035 -1.905384 ESP Fit Center 6677 is at 5.709710 -0.992725 3.211602 ESP Fit Center 6678 is at 6.132083 -0.992725 3.178361 ESP Fit Center 6679 is at 5.920896 -0.626939 3.178361 ESP Fit Center 6680 is at 5.498523 -0.626939 3.178361 ESP Fit Center 6681 is at 5.498523 -1.358511 3.178361 ESP Fit Center 6682 is at 5.920896 -1.358511 3.178361 ESP Fit Center 6683 is at 6.432274 -0.575552 3.079455 ESP Fit Center 6684 is at 6.126883 -0.270160 3.079455 ESP Fit Center 6685 is at 5.709710 -0.158379 3.079455 ESP Fit Center 6686 is at 5.292537 -0.270160 3.079455 ESP Fit Center 6687 is at 5.709710 -1.827071 3.079455 ESP Fit Center 6688 is at 6.648707 -0.204813 2.917320 ESP Fit Center 6689 is at 6.322597 0.068827 2.917320 ESP Fit Center 6690 is at 5.922563 0.214427 2.917320 ESP Fit Center 6691 is at 5.496856 0.214427 2.917320 ESP Fit Center 6692 is at 5.096823 0.068827 2.917320 ESP Fit Center 6693 is at 7.084109 -0.199215 2.695948 ESP Fit Center 6694 is at 6.831902 0.129468 2.695948 ESP Fit Center 6695 is at 6.503220 0.381675 2.695948 ESP Fit Center 6696 is at 6.120461 0.540219 2.695948 ESP Fit Center 6697 is at 5.709710 0.594295 2.695948 ESP Fit Center 6698 is at 5.298959 0.540219 2.695948 ESP Fit Center 6699 is at 4.916200 0.381675 2.695948 ESP Fit Center 6700 is at 7.202373 0.197634 2.420791 ESP Fit Center 6701 is at 6.900069 0.499938 2.420791 ESP Fit Center 6702 is at 6.538075 0.727394 2.420791 ESP Fit Center 6703 is at 6.134544 0.868596 2.420791 ESP Fit Center 6704 is at 5.709710 0.916463 2.420791 ESP Fit Center 6705 is at 5.284875 0.868596 2.420791 ESP Fit Center 6706 is at 4.881344 0.727394 2.420791 ESP Fit Center 6707 is at 7.547298 0.188221 2.098623 ESP Fit Center 6708 is at 7.290595 0.514646 2.098623 ESP Fit Center 6709 is at 5.398845 1.169387 2.098623 ESP Fit Center 6710 is at 4.995280 1.071483 2.098623 ESP Fit Center 6711 is at 4.617537 0.898974 2.098623 ESP Fit Center 6712 is at 7.793122 0.210134 1.737377 ESP Fit Center 6713 is at 4.506851 1.090687 1.737377 ESP Fit Center 6714 is at 5.813127 -3.690744 0.511602 ESP Fit Center 6715 is at 6.223766 -3.643338 0.511602 ESP Fit Center 6716 is at 6.126883 -3.626651 0.089229 ESP Fit Center 6717 is at 6.533783 -3.528963 0.089229 ESP Fit Center 6718 is at 5.921761 -3.551807 -0.322743 ESP Fit Center 6719 is at 6.340080 -3.482002 -0.322743 ESP Fit Center 6720 is at 6.741204 -3.344296 -0.322743 ESP Fit Center 6721 is at 7.114192 -3.142445 -0.322743 ESP Fit Center 6722 is at 5.709710 -3.398443 -0.714172 ESP Fit Center 6723 is at 6.127458 -3.361895 -0.714172 ESP Fit Center 6724 is at 6.532514 -3.253360 -0.714172 ESP Fit Center 6725 is at 6.912568 -3.076138 -0.714172 ESP Fit Center 6726 is at 7.256075 -2.835612 -0.714172 ESP Fit Center 6727 is at 7.552596 -2.539091 -0.714172 ESP Fit Center 6728 is at 7.793122 -2.195584 -0.714172 ESP Fit Center 6729 is at 7.970345 -1.815529 -0.714172 ESP Fit Center 6730 is at 5.813645 -3.174597 -1.075418 ESP Fit Center 6731 is at 6.224689 -3.115498 -1.075418 ESP Fit Center 6732 is at 6.617120 -2.979676 -1.075418 ESP Fit Center 6733 is at 6.976755 -2.772041 -1.075418 ESP Fit Center 6734 is at 7.290595 -2.500096 -1.075418 ESP Fit Center 6735 is at 7.547298 -2.173672 -1.075418 ESP Fit Center 6736 is at 5.709710 -2.901914 -1.397586 ESP Fit Center 6737 is at 6.134544 -2.854046 -1.397586 ESP Fit Center 6738 is at 6.538075 -2.712844 -1.397586 ESP Fit Center 6739 is at 6.900069 -2.485389 -1.397586 ESP Fit Center 6740 is at 7.202373 -2.183085 -1.397586 ESP Fit Center 6741 is at 5.298959 -2.525669 -1.672743 ESP Fit Center 6742 is at 5.709710 -2.579745 -1.672743 ESP Fit Center 6743 is at 6.120461 -2.525669 -1.672743 ESP Fit Center 6744 is at 6.503220 -2.367125 -1.672743 ESP Fit Center 6745 is at 5.096823 -2.054277 -1.894115 ESP Fit Center 6746 is at 5.496856 -2.199877 -1.894115 ESP Fit Center 6747 is at 5.922563 -2.199877 -1.894115 ESP Fit Center 6748 is at 6.961685 0.862810 2.088625 ESP Fit Center 6749 is at 6.635575 1.136449 2.088625 ESP Fit Center 6750 is at 6.235541 1.282050 2.088625 ESP Fit Center 6751 is at 5.809834 1.282050 2.088625 ESP Fit Center 6752 is at 7.555631 0.485649 1.867254 ESP Fit Center 6753 is at 7.397087 0.868408 1.867254 ESP Fit Center 6754 is at 7.144880 1.197090 1.867254 ESP Fit Center 6755 is at 6.816198 1.449297 1.867254 ESP Fit Center 6756 is at 6.433439 1.607841 1.867254 ESP Fit Center 6757 is at 6.022687 1.661918 1.867254 ESP Fit Center 6758 is at 5.611936 1.607841 1.867254 ESP Fit Center 6759 is at 5.229177 1.449297 1.867254 ESP Fit Center 6760 is at 7.884008 0.499732 1.592096 ESP Fit Center 6761 is at 7.742807 0.903263 1.592096 ESP Fit Center 6762 is at 7.515351 1.265257 1.592096 ESP Fit Center 6763 is at 7.213047 1.567561 1.592096 ESP Fit Center 6764 is at 6.851053 1.795017 1.592096 ESP Fit Center 6765 is at 6.447522 1.936218 1.592096 ESP Fit Center 6766 is at 6.022687 1.984086 1.592096 ESP Fit Center 6767 is at 5.597853 1.936218 1.592096 ESP Fit Center 6768 is at 5.194322 1.795017 1.592096 ESP Fit Center 6769 is at 4.832328 1.567561 1.592096 ESP Fit Center 6770 is at 7.603573 1.582269 1.269928 ESP Fit Center 6771 is at 7.289732 1.854213 1.269928 ESP Fit Center 6772 is at 6.930098 2.061848 1.269928 ESP Fit Center 6773 is at 6.537667 2.197670 1.269928 ESP Fit Center 6774 is at 6.126623 2.256769 1.269928 ESP Fit Center 6775 is at 5.711823 2.237010 1.269928 ESP Fit Center 6776 is at 7.225546 2.158310 0.908682 ESP Fit Center 6777 is at 6.845491 2.335533 0.908682 ESP Fit Center 6778 is at 6.440436 2.444067 0.908682 ESP Fit Center 6779 is at 6.022687 2.480615 0.908682 ESP Fit Center 6780 is at 7.054182 2.426468 0.517254 ESP Fit Center 6781 is at 6.653058 2.564174 0.517254 ESP Fit Center 6782 is at 6.234739 2.633980 0.517254 ESP Fit Center 6783 is at 6.846761 2.611136 0.105281 ESP Fit Center 6784 is at 6.935333 2.615976 -0.317092 ESP Fit Center 6785 is at 8.180140 -1.492584 -0.739465 ESP Fit Center 6786 is at 7.761847 -1.814333 -1.151438 ESP Fit Center 6787 is at 8.049084 -1.502310 -1.151438 ESP Fit Center 6788 is at 7.225546 -2.008515 -1.542867 ESP Fit Center 6789 is at 7.569053 -1.767989 -1.542867 ESP Fit Center 6790 is at 7.865574 -1.471468 -1.542867 ESP Fit Center 6791 is at 6.537667 -2.047875 -1.904112 ESP Fit Center 6792 is at 6.930098 -1.912053 -1.904112 ESP Fit Center 6793 is at 7.289732 -1.704418 -1.904112 ESP Fit Center 6794 is at 7.603573 -1.432474 -1.904112 ESP Fit Center 6795 is at 7.860276 -1.106049 -1.904112 ESP Fit Center 6796 is at 5.597853 -1.786423 -2.226281 ESP Fit Center 6797 is at 6.022687 -1.834291 -2.226281 ESP Fit Center 6798 is at 6.447522 -1.786423 -2.226281 ESP Fit Center 6799 is at 6.851053 -1.645222 -2.226281 ESP Fit Center 6800 is at 7.213047 -1.417766 -2.226281 ESP Fit Center 6801 is at 7.515351 -1.115462 -2.226281 ESP Fit Center 6802 is at 7.742807 -0.753468 -2.226281 ESP Fit Center 6803 is at 7.609708 0.074897 -2.501438 ESP Fit Center 6804 is at 5.611936 -1.458046 -2.501438 ESP Fit Center 6805 is at 6.022687 -1.512123 -2.501438 ESP Fit Center 6806 is at 6.433439 -1.458046 -2.501438 ESP Fit Center 6807 is at 6.816198 -1.299502 -2.501438 ESP Fit Center 6808 is at 7.144880 -1.047295 -2.501438 ESP Fit Center 6809 is at 7.397087 -0.718613 -2.501438 ESP Fit Center 6810 is at 7.555631 -0.335854 -2.501438 ESP Fit Center 6811 is at 7.248462 0.074897 -2.722810 ESP Fit Center 6812 is at 7.174539 0.494137 -2.722810 ESP Fit Center 6813 is at 6.235541 -1.132255 -2.722810 ESP Fit Center 6814 is at 6.635575 -0.986654 -2.722810 ESP Fit Center 6815 is at 6.961685 -0.713015 -2.722810 ESP Fit Center 6816 is at 7.174539 -0.344342 -2.722810 ESP Fit Center 6817 is at 6.857033 0.074897 -2.884945 ESP Fit Center 6818 is at 6.439860 -0.647667 -2.884945 ESP Fit Center 6819 is at 6.745252 -0.342275 -2.884945 ESP Fit Center 6820 is at 4.600873 1.466117 1.572292 ESP Fit Center 6821 is at 4.805192 1.950704 1.410157 ESP Fit Center 6822 is at 4.405159 1.805104 1.410157 ESP Fit Center 6823 is at 5.428797 2.276496 1.188786 ESP Fit Center 6824 is at 5.018046 2.330572 1.188786 ESP Fit Center 6825 is at 4.607295 2.276496 1.188786 ESP Fit Center 6826 is at 4.224536 2.117952 1.188786 ESP Fit Center 6827 is at 5.442880 2.604873 0.913628 ESP Fit Center 6828 is at 5.018046 2.652740 0.913628 ESP Fit Center 6829 is at 4.593211 2.604873 0.913628 ESP Fit Center 6830 is at 4.189680 2.463671 0.913628 ESP Fit Center 6831 is at 5.925456 2.730503 0.591460 ESP Fit Center 6832 is at 5.533025 2.866325 0.591460 ESP Fit Center 6833 is at 5.121981 2.925424 0.591460 ESP Fit Center 6834 is at 4.707181 2.905664 0.591460 ESP Fit Center 6835 is at 4.303616 2.807761 0.591460 ESP Fit Center 6836 is at 6.220905 2.826965 0.230214 ESP Fit Center 6837 is at 5.840850 3.004187 0.230214 ESP Fit Center 6838 is at 5.435794 3.112721 0.230214 ESP Fit Center 6839 is at 5.018046 3.149270 0.230214 ESP Fit Center 6840 is at 4.600297 3.112721 0.230214 ESP Fit Center 6841 is at 4.195242 3.004187 0.230214 ESP Fit Center 6842 is at 6.422528 2.893272 -0.161214 ESP Fit Center 6843 is at 6.049540 3.095123 -0.161214 ESP Fit Center 6844 is at 5.648416 3.232829 -0.161214 ESP Fit Center 6845 is at 5.230097 3.302634 -0.161214 ESP Fit Center 6846 is at 4.805994 3.302634 -0.161214 ESP Fit Center 6847 is at 4.387675 3.232829 -0.161214 ESP Fit Center 6848 is at 3.986551 3.095123 -0.161214 ESP Fit Center 6849 is at 6.903729 2.629235 -0.573187 ESP Fit Center 6850 is at 6.585527 2.901005 -0.573187 ESP Fit Center 6851 is at 4.600873 3.377478 -0.573187 ESP Fit Center 6852 is at 4.193972 3.279790 -0.573187 ESP Fit Center 6853 is at 3.807363 3.119651 -0.573187 ESP Fit Center 6854 is at 3.913560 3.207312 -0.995560 ESP Fit Center 6855 is at 5.018046 -1.662166 -2.221335 ESP Fit Center 6856 is at 5.121981 -1.438320 -2.582580 ESP Fit Center 6857 is at 5.533025 -1.379221 -2.582580 ESP Fit Center 6858 is at 6.927234 0.743552 -2.904749 ESP Fit Center 6859 is at 5.018046 -1.165636 -2.904749 ESP Fit Center 6860 is at 5.442880 -1.117769 -2.904749 ESP Fit Center 6861 is at 5.846412 -0.976567 -2.904749 ESP Fit Center 6862 is at 6.208405 -0.749112 -2.904749 ESP Fit Center 6863 is at 6.879367 0.318718 -2.904749 ESP Fit Center 6864 is at 6.605066 0.743552 -3.179906 ESP Fit Center 6865 is at 4.607295 -0.789392 -3.179906 ESP Fit Center 6866 is at 5.018046 -0.843468 -3.179906 ESP Fit Center 6867 is at 5.428797 -0.789392 -3.179906 ESP Fit Center 6868 is at 5.811556 -0.630848 -3.179906 ESP Fit Center 6869 is at 6.140239 -0.378641 -3.179906 ESP Fit Center 6870 is at 6.392446 -0.049958 -3.179906 ESP Fit Center 6871 is at 6.550990 0.332801 -3.179906 ESP Fit Center 6872 is at 6.243820 0.743552 -3.401278 ESP Fit Center 6873 is at 4.405159 -0.318000 -3.401278 ESP Fit Center 6874 is at 4.805192 -0.463600 -3.401278 ESP Fit Center 6875 is at 5.230899 -0.463600 -3.401278 ESP Fit Center 6876 is at 5.630933 -0.318000 -3.401278 ESP Fit Center 6877 is at 5.957043 -0.044361 -3.401278 ESP Fit Center 6878 is at 6.169897 0.324312 -3.401278 ESP Fit Center 6879 is at 5.852392 0.743552 -3.563413 ESP Fit Center 6880 is at 4.295481 1.160725 -3.563413 ESP Fit Center 6881 is at 4.183700 0.743552 -3.563413 ESP Fit Center 6882 is at 4.295481 0.326379 -3.563413 ESP Fit Center 6883 is at 4.600873 0.020987 -3.563413 ESP Fit Center 6884 is at 5.018046 -0.090794 -3.563413 ESP Fit Center 6885 is at 5.435219 0.020987 -3.563413 ESP Fit Center 6886 is at 5.740611 0.326379 -3.563413 ESP Fit Center 6887 is at 5.440419 0.743552 -3.662319 ESP Fit Center 6888 is at 4.595673 0.743552 -3.662319 ESP Fit Center 6889 is at 4.806859 0.377766 -3.662319 ESP Fit Center 6890 is at 5.229232 0.377766 -3.662319 ESP Fit Center 6891 is at 5.018046 0.743552 -3.695560 ESP Fit Center 6892 is at 4.310542 1.416828 1.569682 ESP Fit Center 6893 is at 3.910509 1.562428 1.569682 ESP Fit Center 6894 is at 3.484802 1.562428 1.569682 ESP Fit Center 6895 is at 4.108406 1.888220 1.348310 ESP Fit Center 6896 is at 3.697655 1.942296 1.348310 ESP Fit Center 6897 is at 3.697655 2.264464 1.073152 ESP Fit Center 6898 is at 3.801591 2.537148 0.750984 ESP Fit Center 6899 is at 3.801591 -1.826596 -2.423056 ESP Fit Center 6900 is at 4.212634 -1.767497 -2.423056 ESP Fit Center 6901 is at 4.605065 -1.631675 -2.423056 ESP Fit Center 6902 is at 2.204992 -0.835083 -2.745224 ESP Fit Center 6903 is at 2.507296 -1.137387 -2.745224 ESP Fit Center 6904 is at 2.869290 -1.364843 -2.745224 ESP Fit Center 6905 is at 3.272821 -1.506045 -2.745224 ESP Fit Center 6906 is at 3.697655 -1.553912 -2.745224 ESP Fit Center 6907 is at 4.122490 -1.506045 -2.745224 ESP Fit Center 6908 is at 4.526021 -1.364843 -2.745224 ESP Fit Center 6909 is at 2.323256 -0.438234 -3.020382 ESP Fit Center 6910 is at 2.575463 -0.766917 -3.020382 ESP Fit Center 6911 is at 2.904145 -1.019124 -3.020382 ESP Fit Center 6912 is at 3.286904 -1.177668 -3.020382 ESP Fit Center 6913 is at 3.697655 -1.231744 -3.020382 ESP Fit Center 6914 is at 4.108406 -1.177668 -3.020382 ESP Fit Center 6915 is at 4.491165 -1.019124 -3.020382 ESP Fit Center 6916 is at 2.758658 -0.432636 -3.241754 ESP Fit Center 6917 is at 3.084768 -0.706276 -3.241754 ESP Fit Center 6918 is at 3.484802 -0.851876 -3.241754 ESP Fit Center 6919 is at 3.910509 -0.851876 -3.241754 ESP Fit Center 6920 is at 4.310542 -0.706276 -3.241754 ESP Fit Center 6921 is at 3.697655 1.189622 -3.403888 ESP Fit Center 6922 is at 2.975091 -0.061897 -3.403888 ESP Fit Center 6923 is at 3.280482 -0.367289 -3.403888 ESP Fit Center 6924 is at 3.697655 -0.479070 -3.403888 ESP Fit Center 6925 is at 4.114828 -0.367289 -3.403888 ESP Fit Center 6926 is at 3.908842 0.721062 -3.502794 ESP Fit Center 6927 is at 3.486469 0.721062 -3.502794 ESP Fit Center 6928 is at 3.275282 0.355276 -3.502794 ESP Fit Center 6929 is at 3.486469 -0.010510 -3.502794 ESP Fit Center 6930 is at 3.908842 -0.010510 -3.502794 ESP Fit Center 6931 is at 3.697655 0.355276 -3.536036 ESP Fit Center 6932 is at 4.138840 -2.221612 3.448876 ESP Fit Center 6933 is at 4.560236 -2.221612 3.407373 ESP Fit Center 6934 is at 4.349538 -1.856673 3.407373 ESP Fit Center 6935 is at 3.928143 -1.856673 3.407373 ESP Fit Center 6936 is at 3.717445 -2.221612 3.407373 ESP Fit Center 6937 is at 3.928143 -2.586551 3.407373 ESP Fit Center 6938 is at 4.349538 -2.586551 3.407373 ESP Fit Center 6939 is at 4.965437 -2.221612 3.284456 ESP Fit Center 6940 is at 3.725542 -1.505759 3.284456 ESP Fit Center 6941 is at 3.422987 -1.808314 3.284456 ESP Fit Center 6942 is at 3.312244 -2.221612 3.284456 ESP Fit Center 6943 is at 3.422987 -2.634910 3.284456 ESP Fit Center 6944 is at 3.725542 -2.937466 3.284456 ESP Fit Center 6945 is at 4.138840 -3.048208 3.284456 ESP Fit Center 6946 is at 4.552139 -2.937466 3.284456 ESP Fit Center 6947 is at 4.854694 -2.634910 3.284456 ESP Fit Center 6948 is at 5.338872 -2.221612 3.084851 ESP Fit Center 6949 is at 3.011179 -1.811177 3.084851 ESP Fit Center 6950 is at 2.938809 -2.221612 3.084851 ESP Fit Center 6951 is at 3.011179 -2.632047 3.084851 ESP Fit Center 6952 is at 3.219563 -2.992978 3.084851 ESP Fit Center 6953 is at 3.538825 -3.260870 3.084851 ESP Fit Center 6954 is at 3.930457 -3.403413 3.084851 ESP Fit Center 6955 is at 4.347224 -3.403413 3.084851 ESP Fit Center 6956 is at 4.738856 -3.260870 3.084851 ESP Fit Center 6957 is at 5.058118 -2.992978 3.084851 ESP Fit Center 6958 is at 5.266501 -2.632047 3.084851 ESP Fit Center 6959 is at 2.737937 -1.613114 2.816227 ESP Fit Center 6960 is at 2.737937 -2.830110 2.816227 ESP Fit Center 6961 is at 2.954057 -3.185505 2.816227 ESP Fit Center 6962 is at 3.258047 -3.469412 2.816227 ESP Fit Center 6963 is at 3.627362 -3.660775 2.816227 ESP Fit Center 6964 is at 4.034610 -3.745402 2.816227 ESP Fit Center 6965 is at 4.449589 -3.717017 2.816227 ESP Fit Center 6966 is at 4.841521 -3.577724 2.816227 ESP Fit Center 6967 is at 5.181338 -3.337855 2.816227 ESP Fit Center 6968 is at 5.443838 -3.015199 2.816227 ESP Fit Center 6969 is at 5.609553 -2.633686 2.816227 ESP Fit Center 6970 is at 2.906368 -3.527957 2.488908 ESP Fit Center 6971 is at 3.240853 -3.776972 2.488908 ESP Fit Center 6972 is at 3.623749 -3.942137 2.488908 ESP Fit Center 6973 is at 4.034414 -4.014548 2.488908 ESP Fit Center 6974 is at 4.450708 -3.990302 2.488908 ESP Fit Center 6975 is at 4.850190 -3.870705 2.488908 ESP Fit Center 6976 is at 5.211322 -3.662205 2.488908 ESP Fit Center 6977 is at 5.514637 -3.376042 2.488908 ESP Fit Center 6978 is at 5.743782 -3.027644 2.488908 ESP Fit Center 6979 is at 3.141051 -3.949835 2.115473 ESP Fit Center 6980 is at 3.522172 -4.119521 2.115473 ESP Fit Center 6981 is at 3.930246 -4.206260 2.115473 ESP Fit Center 6982 is at 4.347435 -4.206260 2.115473 ESP Fit Center 6983 is at 4.755508 -4.119521 2.115473 ESP Fit Center 6984 is at 5.136630 -3.949835 2.115473 ESP Fit Center 6985 is at 5.474144 -3.704617 2.115473 ESP Fit Center 6986 is at 5.753298 -3.394585 2.115473 ESP Fit Center 6987 is at 3.328127 -4.178848 1.710272 ESP Fit Center 6988 is at 3.725542 -4.299402 1.710272 ESP Fit Center 6989 is at 4.138840 -4.340108 1.710272 ESP Fit Center 6990 is at 4.552139 -4.299402 1.710272 ESP Fit Center 6991 is at 4.949554 -4.178848 1.710272 ESP Fit Center 6992 is at 5.315814 -3.983077 1.710272 ESP Fit Center 6993 is at 5.636843 -3.719615 1.710272 ESP Fit Center 6994 is at 3.432374 -4.262814 1.288876 ESP Fit Center 6995 is at 3.831440 -4.359627 1.288876 ESP Fit Center 6996 is at 4.241617 -4.379166 1.288876 ESP Fit Center 6997 is at 4.648080 -4.320725 1.288876 ESP Fit Center 6998 is at 5.036137 -4.186417 1.288876 ESP Fit Center 6999 is at 5.391763 -3.981096 1.288876 ESP Fit Center 7000 is at 5.702106 -3.712183 1.288876 ESP Fit Center 7001 is at 3.725542 -4.299402 0.867481 ESP Fit Center 7002 is at 4.138840 -4.340108 0.867481 ESP Fit Center 7003 is at 4.552139 -4.299402 0.867481 ESP Fit Center 7004 is at 4.949554 -4.178848 0.867481 ESP Fit Center 7005 is at 5.315814 -3.983077 0.867481 ESP Fit Center 7006 is at 3.522172 -4.119521 0.462280 ESP Fit Center 7007 is at 3.930246 -4.206260 0.462280 ESP Fit Center 7008 is at 4.347435 -4.206260 0.462280 ESP Fit Center 7009 is at 4.755508 -4.119521 0.462280 ESP Fit Center 7010 is at 3.623749 -3.942137 0.088845 ESP Fit Center 7011 is at 4.034414 -4.014548 0.088845 ESP Fit Center 7012 is at 6.489570 -1.516157 3.194273 ESP Fit Center 7013 is at 6.910965 -1.516157 3.152769 ESP Fit Center 7014 is at 6.700268 -1.151218 3.152769 ESP Fit Center 7015 is at 6.278872 -1.151218 3.152769 ESP Fit Center 7016 is at 6.068175 -1.516157 3.152769 ESP Fit Center 7017 is at 6.278872 -1.881096 3.152769 ESP Fit Center 7018 is at 6.700268 -1.881096 3.152769 ESP Fit Center 7019 is at 7.316166 -1.516157 3.029853 ESP Fit Center 7020 is at 7.205423 -1.102859 3.029853 ESP Fit Center 7021 is at 6.902868 -0.800303 3.029853 ESP Fit Center 7022 is at 6.076272 -2.232010 3.029853 ESP Fit Center 7023 is at 6.489570 -2.342753 3.029853 ESP Fit Center 7024 is at 6.902868 -2.232010 3.029853 ESP Fit Center 7025 is at 7.205423 -1.929455 3.029853 ESP Fit Center 7026 is at 7.689602 -1.516157 2.830247 ESP Fit Center 7027 is at 7.617231 -1.105722 2.830247 ESP Fit Center 7028 is at 7.408848 -0.744791 2.830247 ESP Fit Center 7029 is at 7.089586 -0.476899 2.830247 ESP Fit Center 7030 is at 5.889554 -2.555415 2.830247 ESP Fit Center 7031 is at 6.281187 -2.697957 2.830247 ESP Fit Center 7032 is at 6.697953 -2.697957 2.830247 ESP Fit Center 7033 is at 7.089586 -2.555415 2.830247 ESP Fit Center 7034 is at 7.408848 -2.287522 2.830247 ESP Fit Center 7035 is at 7.617231 -1.926592 2.830247 ESP Fit Center 7036 is at 8.016921 -1.516157 2.561623 ESP Fit Center 7037 is at 7.960282 -1.104082 2.561623 ESP Fit Center 7038 is at 7.794568 -0.722570 2.561623 ESP Fit Center 7039 is at 7.532068 -0.399914 2.561623 ESP Fit Center 7040 is at 5.978091 -2.955320 2.561623 ESP Fit Center 7041 is at 6.385340 -3.039947 2.561623 ESP Fit Center 7042 is at 6.800319 -3.011561 2.561623 ESP Fit Center 7043 is at 7.192251 -2.872269 2.561623 ESP Fit Center 7044 is at 7.532068 -2.632400 2.561623 ESP Fit Center 7045 is at 7.794568 -2.309744 2.561623 ESP Fit Center 7046 is at 7.960282 -1.928231 2.561623 ESP Fit Center 7047 is at 8.285544 -1.516157 2.234304 ESP Fit Center 7048 is at 8.237134 -1.101977 2.234304 ESP Fit Center 7049 is at 8.094511 -0.710125 2.234304 ESP Fit Center 7050 is at 7.865366 -0.361727 2.234304 ESP Fit Center 7051 is at 5.974479 -3.236681 2.234304 ESP Fit Center 7052 is at 6.385143 -3.309093 2.234304 ESP Fit Center 7053 is at 6.801438 -3.284846 2.234304 ESP Fit Center 7054 is at 7.200919 -3.165249 2.234304 ESP Fit Center 7055 is at 7.562052 -2.956749 2.234304 ESP Fit Center 7056 is at 7.865366 -2.670587 2.234304 ESP Fit Center 7057 is at 8.094511 -2.322189 2.234304 ESP Fit Center 7058 is at 8.237134 -1.930337 2.234304 ESP Fit Center 7059 is at 8.485150 -1.516157 1.860869 ESP Fit Center 7060 is at 8.441542 -1.101252 1.860869 ESP Fit Center 7061 is at 8.312623 -0.704481 1.860869 ESP Fit Center 7062 is at 8.104028 -0.343184 1.860869 ESP Fit Center 7063 is at 5.872902 -3.414066 1.860869 ESP Fit Center 7064 is at 6.280975 -3.500805 1.860869 ESP Fit Center 7065 is at 6.698165 -3.500805 1.860869 ESP Fit Center 7066 is at 7.106238 -3.414066 1.860869 ESP Fit Center 7067 is at 7.487360 -3.244380 1.860869 ESP Fit Center 7068 is at 7.824873 -2.999162 1.860869 ESP Fit Center 7069 is at 8.104028 -2.689129 1.860869 ESP Fit Center 7070 is at 8.312623 -2.327832 1.860869 ESP Fit Center 7071 is at 8.441542 -1.931061 1.860869 ESP Fit Center 7072 is at 8.608066 -1.516157 1.455668 ESP Fit Center 7073 is at 8.567360 -1.102859 1.455668 ESP Fit Center 7074 is at 8.446805 -0.705443 1.455668 ESP Fit Center 7075 is at 8.251035 -0.339183 1.455668 ESP Fit Center 7076 is at 6.076272 -3.593947 1.455668 ESP Fit Center 7077 is at 6.489570 -3.634653 1.455668 ESP Fit Center 7078 is at 6.902868 -3.593947 1.455668 ESP Fit Center 7079 is at 7.300283 -3.473392 1.455668 ESP Fit Center 7080 is at 7.666543 -3.277622 1.455668 ESP Fit Center 7081 is at 7.987573 -3.014160 1.455668 ESP Fit Center 7082 is at 8.251035 -2.693130 1.455668 ESP Fit Center 7083 is at 8.446805 -2.326870 1.455668 ESP Fit Center 7084 is at 8.567360 -1.929455 1.455668 ESP Fit Center 7085 is at 8.649570 -1.516157 1.034273 ESP Fit Center 7086 is at 8.610536 -1.107374 1.034273 ESP Fit Center 7087 is at 8.494845 -0.713366 1.034273 ESP Fit Center 7088 is at 6.182170 -3.654171 1.034273 ESP Fit Center 7089 is at 6.592347 -3.673710 1.034273 ESP Fit Center 7090 is at 6.998809 -3.615270 1.034273 ESP Fit Center 7091 is at 7.386866 -3.480962 1.034273 ESP Fit Center 7092 is at 7.742493 -3.275641 1.034273 ESP Fit Center 7093 is at 8.052836 -3.006727 1.034273 ESP Fit Center 7094 is at 8.306678 -2.683941 1.034273 ESP Fit Center 7095 is at 8.494845 -2.318948 1.034273 ESP Fit Center 7096 is at 8.610536 -1.924939 1.034273 ESP Fit Center 7097 is at 8.608066 -1.516157 0.612878 ESP Fit Center 7098 is at 8.567360 -1.102859 0.612878 ESP Fit Center 7099 is at 6.489570 -3.634653 0.612878 ESP Fit Center 7100 is at 6.902868 -3.593947 0.612878 ESP Fit Center 7101 is at 7.300283 -3.473392 0.612878 ESP Fit Center 7102 is at 7.666543 -3.277622 0.612878 ESP Fit Center 7103 is at 7.987573 -3.014160 0.612878 ESP Fit Center 7104 is at 8.251035 -2.693130 0.612878 ESP Fit Center 7105 is at 8.446805 -2.326870 0.612878 ESP Fit Center 7106 is at 8.567360 -1.929455 0.612878 ESP Fit Center 7107 is at 8.485150 -1.516157 0.207677 ESP Fit Center 7108 is at 6.698165 -3.500805 0.207677 ESP Fit Center 7109 is at 7.106238 -3.414066 0.207677 ESP Fit Center 7110 is at 7.487360 -3.244380 0.207677 ESP Fit Center 7111 is at 7.824873 -2.999162 0.207677 ESP Fit Center 7112 is at 8.104028 -2.689129 0.207677 ESP Fit Center 7113 is at 8.312623 -2.327832 0.207677 ESP Fit Center 7114 is at 8.441542 -1.931061 0.207677 ESP Fit Center 7115 is at 8.285544 -1.516157 -0.165759 ESP Fit Center 7116 is at 7.200919 -3.165249 -0.165759 ESP Fit Center 7117 is at 7.562052 -2.956749 -0.165759 ESP Fit Center 7118 is at 7.865366 -2.670587 -0.165759 ESP Fit Center 7119 is at 8.094511 -2.322189 -0.165759 ESP Fit Center 7120 is at 8.237134 -1.930337 -0.165759 ESP Fit Center 7121 is at 8.246848 0.379375 1.357878 ESP Fit Center 7122 is at 8.174477 0.789810 1.357878 ESP Fit Center 7123 is at 7.966094 1.150740 1.357878 ESP Fit Center 7124 is at 8.174477 -0.031060 1.357878 ESP Fit Center 7125 is at 8.574167 0.379375 1.089254 ESP Fit Center 7126 is at 8.517529 0.791449 1.089254 ESP Fit Center 7127 is at 8.351814 1.172962 1.089254 ESP Fit Center 7128 is at 8.089314 1.495617 1.089254 ESP Fit Center 7129 is at 7.749497 1.735487 1.089254 ESP Fit Center 7130 is at 8.351814 -0.414212 1.089254 ESP Fit Center 7131 is at 8.517529 -0.032700 1.089254 ESP Fit Center 7132 is at 8.842791 0.379375 0.761936 ESP Fit Center 7133 is at 8.794380 0.793555 0.761936 ESP Fit Center 7134 is at 8.651757 1.185406 0.761936 ESP Fit Center 7135 is at 8.422612 1.533805 0.761936 ESP Fit Center 7136 is at 8.119298 1.819967 0.761936 ESP Fit Center 7137 is at 7.758165 2.028467 0.761936 ESP Fit Center 7138 is at 8.651757 -0.426657 0.761936 ESP Fit Center 7139 is at 8.794380 -0.034806 0.761936 ESP Fit Center 7140 is at 9.042396 0.379375 0.388500 ESP Fit Center 7141 is at 8.998788 0.794279 0.388500 ESP Fit Center 7142 is at 8.869869 1.191050 0.388500 ESP Fit Center 7143 is at 8.661274 1.552347 0.388500 ESP Fit Center 7144 is at 8.382120 1.862379 0.388500 ESP Fit Center 7145 is at 8.044606 2.107597 0.388500 ESP Fit Center 7146 is at 7.663484 2.277284 0.388500 ESP Fit Center 7147 is at 8.661274 -0.793598 0.388500 ESP Fit Center 7148 is at 8.869869 -0.432301 0.388500 ESP Fit Center 7149 is at 8.998788 -0.035530 0.388500 ESP Fit Center 7150 is at 9.165312 0.379375 -0.016701 ESP Fit Center 7151 is at 9.124606 0.792673 -0.016701 ESP Fit Center 7152 is at 9.004051 1.190088 -0.016701 ESP Fit Center 7153 is at 8.808281 1.556348 -0.016701 ESP Fit Center 7154 is at 8.544819 1.877378 -0.016701 ESP Fit Center 7155 is at 8.223790 2.140840 -0.016701 ESP Fit Center 7156 is at 7.857530 2.336610 -0.016701 ESP Fit Center 7157 is at 7.460114 2.457165 -0.016701 ESP Fit Center 7158 is at 8.544819 -1.118628 -0.016701 ESP Fit Center 7159 is at 8.808281 -0.797599 -0.016701 ESP Fit Center 7160 is at 9.004051 -0.431339 -0.016701 ESP Fit Center 7161 is at 9.124606 -0.033923 -0.016701 ESP Fit Center 7162 is at 9.206816 0.379375 -0.438096 ESP Fit Center 7163 is at 9.167782 0.788157 -0.438096 ESP Fit Center 7164 is at 9.052091 1.182166 -0.438096 ESP Fit Center 7165 is at 8.863924 1.547159 -0.438096 ESP Fit Center 7166 is at 8.610082 1.869945 -0.438096 ESP Fit Center 7167 is at 8.299739 2.138859 -0.438096 ESP Fit Center 7168 is at 7.944113 2.344180 -0.438096 ESP Fit Center 7169 is at 7.556055 2.478488 -0.438096 ESP Fit Center 7170 is at 7.149593 2.536928 -0.438096 ESP Fit Center 7171 is at 8.299739 -1.380109 -0.438096 ESP Fit Center 7172 is at 8.610082 -1.111196 -0.438096 ESP Fit Center 7173 is at 8.863924 -0.788410 -0.438096 ESP Fit Center 7174 is at 9.052091 -0.423416 -0.438096 ESP Fit Center 7175 is at 9.167782 -0.029408 -0.438096 ESP Fit Center 7176 is at 9.165312 0.379375 -0.859491 ESP Fit Center 7177 is at 9.124606 0.792673 -0.859491 ESP Fit Center 7178 is at 9.004051 1.190088 -0.859491 ESP Fit Center 7179 is at 8.808281 1.556348 -0.859491 ESP Fit Center 7180 is at 8.544819 1.877378 -0.859491 ESP Fit Center 7181 is at 8.223790 2.140840 -0.859491 ESP Fit Center 7182 is at 7.857530 2.336610 -0.859491 ESP Fit Center 7183 is at 7.460114 2.457165 -0.859491 ESP Fit Center 7184 is at 8.544819 -1.118628 -0.859491 ESP Fit Center 7185 is at 8.808281 -0.797599 -0.859491 ESP Fit Center 7186 is at 9.004051 -0.431339 -0.859491 ESP Fit Center 7187 is at 9.124606 -0.033923 -0.859491 ESP Fit Center 7188 is at 9.042396 0.379375 -1.264692 ESP Fit Center 7189 is at 8.998788 0.794279 -1.264692 ESP Fit Center 7190 is at 8.869869 1.191050 -1.264692 ESP Fit Center 7191 is at 8.661274 1.552347 -1.264692 ESP Fit Center 7192 is at 8.382120 1.862379 -1.264692 ESP Fit Center 7193 is at 8.044606 2.107597 -1.264692 ESP Fit Center 7194 is at 7.663484 2.277284 -1.264692 ESP Fit Center 7195 is at 7.255411 2.364022 -1.264692 ESP Fit Center 7196 is at 8.382120 -1.103630 -1.264692 ESP Fit Center 7197 is at 8.661274 -0.793598 -1.264692 ESP Fit Center 7198 is at 8.869869 -0.432301 -1.264692 ESP Fit Center 7199 is at 8.998788 -0.035530 -1.264692 ESP Fit Center 7200 is at 8.842791 0.379375 -1.638128 ESP Fit Center 7201 is at 8.794380 0.793555 -1.638128 ESP Fit Center 7202 is at 8.651757 1.185406 -1.638128 ESP Fit Center 7203 is at 8.422612 1.533805 -1.638128 ESP Fit Center 7204 is at 8.119298 1.819967 -1.638128 ESP Fit Center 7205 is at 7.758165 2.028467 -1.638128 ESP Fit Center 7206 is at 7.358684 2.148064 -1.638128 ESP Fit Center 7207 is at 8.119298 -1.061218 -1.638128 ESP Fit Center 7208 is at 8.422612 -0.775055 -1.638128 ESP Fit Center 7209 is at 8.651757 -0.426657 -1.638128 ESP Fit Center 7210 is at 8.794380 -0.034806 -1.638128 ESP Fit Center 7211 is at 8.574167 0.379375 -1.965447 ESP Fit Center 7212 is at 8.517529 0.791449 -1.965447 ESP Fit Center 7213 is at 8.351814 1.172962 -1.965447 ESP Fit Center 7214 is at 8.089314 1.495617 -1.965447 ESP Fit Center 7215 is at 7.749497 1.735487 -1.965447 ESP Fit Center 7216 is at 8.089314 -0.736868 -1.965447 ESP Fit Center 7217 is at 8.351814 -0.414212 -1.965447 ESP Fit Center 7218 is at 8.517529 -0.032700 -1.965447 ESP Fit Center 7219 is at 8.246848 0.379375 -2.234071 ESP Fit Center 7220 is at 8.174477 0.789810 -2.234071 ESP Fit Center 7221 is at 7.966094 1.150740 -2.234071 ESP Fit Center 7222 is at 7.646832 1.418633 -2.234071 ESP Fit Center 7223 is at 7.966094 -0.391991 -2.234071 ESP Fit Center 7224 is at 8.174477 -0.031060 -2.234071 ESP Fit Center 7225 is at 7.873412 0.379375 -2.433676 ESP Fit Center 7226 is at 7.762669 0.792673 -2.433676 ESP Fit Center 7227 is at 7.460114 1.095228 -2.433676 ESP Fit Center 7228 is at 7.762669 -0.033923 -2.433676 ESP Fit Center 7229 is at 6.873525 2.733284 -0.824834 ESP Fit Center 7230 is at 6.594371 3.043316 -0.824834 ESP Fit Center 7231 is at 6.256857 3.288534 -0.824834 ESP Fit Center 7232 is at 5.875735 3.458220 -0.824834 ESP Fit Center 7233 is at 5.467662 3.544959 -0.824834 ESP Fit Center 7234 is at 5.050472 3.544959 -0.824834 ESP Fit Center 7235 is at 4.642399 3.458220 -0.824834 ESP Fit Center 7236 is at 7.020532 2.737285 -1.230035 ESP Fit Center 7237 is at 6.757070 3.058314 -1.230035 ESP Fit Center 7238 is at 6.436041 3.321776 -1.230035 ESP Fit Center 7239 is at 6.069781 3.517546 -1.230035 ESP Fit Center 7240 is at 5.672365 3.638101 -1.230035 ESP Fit Center 7241 is at 5.259067 3.678807 -1.230035 ESP Fit Center 7242 is at 4.845769 3.638101 -1.230035 ESP Fit Center 7243 is at 4.448354 3.517546 -1.230035 ESP Fit Center 7244 is at 4.082094 3.321776 -1.230035 ESP Fit Center 7245 is at 7.264342 2.363102 -1.651431 ESP Fit Center 7246 is at 7.076175 2.728095 -1.651431 ESP Fit Center 7247 is at 6.822333 3.050882 -1.651431 ESP Fit Center 7248 is at 6.511990 3.319795 -1.651431 ESP Fit Center 7249 is at 6.156364 3.525116 -1.651431 ESP Fit Center 7250 is at 5.768307 3.659424 -1.651431 ESP Fit Center 7251 is at 5.361844 3.717865 -1.651431 ESP Fit Center 7252 is at 4.951667 3.698325 -1.651431 ESP Fit Center 7253 is at 4.552600 3.601513 -1.651431 ESP Fit Center 7254 is at 4.179067 3.430926 -1.651431 ESP Fit Center 7255 is at 3.844568 3.192730 -1.651431 ESP Fit Center 7256 is at 7.336857 1.973609 -2.072826 ESP Fit Center 7257 is at 7.216303 2.371025 -2.072826 ESP Fit Center 7258 is at 7.020532 2.737285 -2.072826 ESP Fit Center 7259 is at 6.757070 3.058314 -2.072826 ESP Fit Center 7260 is at 6.436041 3.321776 -2.072826 ESP Fit Center 7261 is at 6.069781 3.517546 -2.072826 ESP Fit Center 7262 is at 5.672365 3.638101 -2.072826 ESP Fit Center 7263 is at 5.259067 3.678807 -2.072826 ESP Fit Center 7264 is at 4.845769 3.638101 -2.072826 ESP Fit Center 7265 is at 4.448354 3.517546 -2.072826 ESP Fit Center 7266 is at 4.082094 3.321776 -2.072826 ESP Fit Center 7267 is at 3.761064 3.058314 -2.072826 ESP Fit Center 7268 is at 7.254647 1.560311 -2.478027 ESP Fit Center 7269 is at 7.211039 1.975216 -2.478027 ESP Fit Center 7270 is at 7.082120 2.371987 -2.478027 ESP Fit Center 7271 is at 6.873525 2.733284 -2.478027 ESP Fit Center 7272 is at 6.594371 3.043316 -2.478027 ESP Fit Center 7273 is at 6.256857 3.288534 -2.478027 ESP Fit Center 7274 is at 5.875735 3.458220 -2.478027 ESP Fit Center 7275 is at 5.467662 3.544959 -2.478027 ESP Fit Center 7276 is at 5.050472 3.544959 -2.478027 ESP Fit Center 7277 is at 4.642399 3.458220 -2.478027 ESP Fit Center 7278 is at 4.261277 3.288534 -2.478027 ESP Fit Center 7279 is at 3.923764 3.043316 -2.478027 ESP Fit Center 7280 is at 3.644609 2.733284 -2.478027 ESP Fit Center 7281 is at 7.055042 1.560311 -2.851462 ESP Fit Center 7282 is at 7.006631 1.974491 -2.851462 ESP Fit Center 7283 is at 6.864009 2.366343 -2.851462 ESP Fit Center 7284 is at 6.634863 2.714741 -2.851462 ESP Fit Center 7285 is at 6.331549 3.000904 -2.851462 ESP Fit Center 7286 is at 5.970416 3.209404 -2.851462 ESP Fit Center 7287 is at 5.570935 3.329001 -2.851462 ESP Fit Center 7288 is at 5.154641 3.353247 -2.851462 ESP Fit Center 7289 is at 4.743976 3.280836 -2.851462 ESP Fit Center 7290 is at 4.361080 3.115671 -2.851462 ESP Fit Center 7291 is at 4.026595 2.866656 -2.851462 ESP Fit Center 7292 is at 3.758553 2.547215 -2.851462 ESP Fit Center 7293 is at 7.006631 1.146131 -2.851462 ESP Fit Center 7294 is at 6.786418 1.560311 -3.178781 ESP Fit Center 7295 is at 6.729780 1.972385 -3.178781 ESP Fit Center 7296 is at 6.564065 2.353898 -3.178781 ESP Fit Center 7297 is at 6.301565 2.676554 -3.178781 ESP Fit Center 7298 is at 5.961748 2.916423 -3.178781 ESP Fit Center 7299 is at 5.569816 3.055716 -3.178781 ESP Fit Center 7300 is at 5.154837 3.084101 -3.178781 ESP Fit Center 7301 is at 4.747589 2.999474 -3.178781 ESP Fit Center 7302 is at 4.378274 2.808111 -3.178781 ESP Fit Center 7303 is at 4.074284 2.524204 -3.178781 ESP Fit Center 7304 is at 3.858164 2.168809 -3.178781 ESP Fit Center 7305 is at 3.745942 1.768285 -3.178781 ESP Fit Center 7306 is at 6.729780 1.148237 -3.178781 ESP Fit Center 7307 is at 6.459099 1.560311 -3.447405 ESP Fit Center 7308 is at 6.386728 1.970746 -3.447405 ESP Fit Center 7309 is at 6.178345 2.331677 -3.447405 ESP Fit Center 7310 is at 5.859083 2.599569 -3.447405 ESP Fit Center 7311 is at 5.467451 2.742112 -3.447405 ESP Fit Center 7312 is at 5.050684 2.742112 -3.447405 ESP Fit Center 7313 is at 4.659051 2.599569 -3.447405 ESP Fit Center 7314 is at 4.339790 2.331677 -3.447405 ESP Fit Center 7315 is at 4.131406 1.970746 -3.447405 ESP Fit Center 7316 is at 4.059036 1.560311 -3.447405 ESP Fit Center 7317 is at 6.178345 0.788946 -3.447405 ESP Fit Center 7318 is at 6.386728 1.149876 -3.447405 ESP Fit Center 7319 is at 6.085663 1.560311 -3.647010 ESP Fit Center 7320 is at 5.974921 1.973609 -3.647010 ESP Fit Center 7321 is at 5.672365 2.276164 -3.647010 ESP Fit Center 7322 is at 5.259067 2.386907 -3.647010 ESP Fit Center 7323 is at 4.845769 2.276164 -3.647010 ESP Fit Center 7324 is at 4.543214 1.973609 -3.647010 ESP Fit Center 7325 is at 4.432471 1.560311 -3.647010 ESP Fit Center 7326 is at 4.543214 1.147013 -3.647010 ESP Fit Center 7327 is at 5.672365 0.844458 -3.647010 ESP Fit Center 7328 is at 5.974921 1.147013 -3.647010 ESP Fit Center 7329 is at 5.680462 1.560311 -3.769927 ESP Fit Center 7330 is at 5.469765 1.925250 -3.769927 ESP Fit Center 7331 is at 5.048370 1.925250 -3.769927 ESP Fit Center 7332 is at 4.837672 1.560311 -3.769927 ESP Fit Center 7333 is at 5.048370 1.195372 -3.769927 ESP Fit Center 7334 is at 5.469765 1.195372 -3.769927 ESP Fit Center 7335 is at 5.259067 1.560311 -3.811431 ESP Fit Center 7336 is at 3.345793 2.944819 -1.812653 ESP Fit Center 7337 is at 3.549163 2.764939 -2.217854 ESP Fit Center 7338 is at 3.141090 2.851677 -2.217854 ESP Fit Center 7339 is at 3.244362 2.635719 -2.591290 ESP Fit Center 7340 is at 2.828068 2.659965 -2.591290 ESP Fit Center 7341 is at 1.700022 -0.439315 -2.591290 ESP Fit Center 7342 is at 3.635175 2.223142 -2.918609 ESP Fit Center 7343 is at 3.243243 2.362434 -2.918609 ESP Fit Center 7344 is at 2.828265 2.390819 -2.918609 ESP Fit Center 7345 is at 2.421016 2.306192 -2.918609 ESP Fit Center 7346 is at 1.419370 0.659055 -2.918609 ESP Fit Center 7347 is at 1.531591 0.258531 -2.918609 ESP Fit Center 7348 is at 1.747712 -0.096863 -2.918609 ESP Fit Center 7349 is at 2.051702 -0.380770 -2.918609 ESP Fit Center 7350 is at 3.532511 1.906287 -3.187233 ESP Fit Center 7351 is at 3.140878 2.048830 -3.187233 ESP Fit Center 7352 is at 2.724111 2.048830 -3.187233 ESP Fit Center 7353 is at 2.332479 1.906287 -3.187233 ESP Fit Center 7354 is at 2.013217 1.638395 -3.187233 ESP Fit Center 7355 is at 1.804834 1.277464 -3.187233 ESP Fit Center 7356 is at 1.732463 0.867029 -3.187233 ESP Fit Center 7357 is at 1.804834 0.456594 -3.187233 ESP Fit Center 7358 is at 2.013217 0.095664 -3.187233 ESP Fit Center 7359 is at 2.332479 -0.172228 -3.187233 ESP Fit Center 7360 is at 3.648348 1.280328 -3.386838 ESP Fit Center 7361 is at 3.345793 1.582883 -3.386838 ESP Fit Center 7362 is at 2.932495 1.693626 -3.386838 ESP Fit Center 7363 is at 2.519197 1.582883 -3.386838 ESP Fit Center 7364 is at 2.216641 1.280328 -3.386838 ESP Fit Center 7365 is at 2.105899 0.867029 -3.386838 ESP Fit Center 7366 is at 2.216641 0.453731 -3.386838 ESP Fit Center 7367 is at 2.519197 0.151176 -3.386838 ESP Fit Center 7368 is at 3.353890 0.867029 -3.509754 ESP Fit Center 7369 is at 3.143192 1.231968 -3.509754 ESP Fit Center 7370 is at 2.721797 1.231968 -3.509754 ESP Fit Center 7371 is at 2.511100 0.867029 -3.509754 ESP Fit Center 7372 is at 2.721797 0.502091 -3.509754 ESP Fit Center 7373 is at 3.143192 0.502091 -3.509754 ESP Fit Center 7374 is at 2.932495 0.867029 -3.551258 ESP Fit Center 7375 is at -7.129984 -1.737015 -1.356489 ESP Fit Center 7376 is at -6.954817 -2.110678 -1.356489 ESP Fit Center 7377 is at -3.680333 -0.727200 -3.240602 ESP Fit Center 7378 is at -3.788771 -0.322505 -3.240602 ESP Fit Center 7379 is at -4.081223 -0.727200 -3.323908 ESP Fit Center 7380 is at -5.504376 -1.150002 3.948328 ESP Fit Center 7381 is at -5.300126 -1.503773 3.948328 ESP Fit Center 7382 is at -4.891626 -1.503773 3.948328 ESP Fit Center 7383 is at -5.905266 -1.150002 3.865022 ESP Fit Center 7384 is at -5.796828 -1.554697 3.865022 ESP Fit Center 7385 is at -5.500571 -1.850954 3.865022 ESP Fit Center 7386 is at -5.095876 -1.959392 3.865022 ESP Fit Center 7387 is at -4.691181 -1.850954 3.865022 ESP Fit Center 7388 is at -4.394923 -1.554697 3.865022 ESP Fit Center 7389 is at -6.218999 -0.741218 3.727904 ESP Fit Center 7390 is at -6.291079 -1.150002 3.727904 ESP Fit Center 7391 is at -6.218999 -1.558785 3.727904 ESP Fit Center 7392 is at -6.011455 -1.918263 3.727904 ESP Fit Center 7393 is at -5.693477 -2.185078 3.727904 ESP Fit Center 7394 is at -5.303421 -2.327047 3.727904 ESP Fit Center 7395 is at -4.888331 -2.327047 3.727904 ESP Fit Center 7396 is at -4.498274 -2.185078 3.727904 ESP Fit Center 7397 is at -4.180297 -1.918263 3.727904 ESP Fit Center 7398 is at -3.972752 -1.558785 3.727904 ESP Fit Center 7399 is at -3.537124 -1.150002 3.539529 ESP Fit Center 7400 is at -6.525581 -0.528993 3.539529 ESP Fit Center 7401 is at -6.640109 -0.937752 3.539529 ESP Fit Center 7402 is at -6.640109 -1.362252 3.539529 ESP Fit Center 7403 is at -6.525581 -1.771010 3.539529 ESP Fit Center 7404 is at -6.305017 -2.133711 3.539529 ESP Fit Center 7405 is at -5.994777 -2.423455 3.539529 ESP Fit Center 7406 is at -5.617870 -2.618752 3.539529 ESP Fit Center 7407 is at -3.764048 -1.959904 3.539529 ESP Fit Center 7408 is at -3.594927 -1.570548 3.539529 ESP Fit Center 7409 is at -3.202612 -1.150002 3.303404 ESP Fit Center 7410 is at -6.890033 -0.545480 3.303404 ESP Fit Center 7411 is at -6.978041 -0.945304 3.303404 ESP Fit Center 7412 is at -6.978041 -1.354699 3.303404 ESP Fit Center 7413 is at -6.890033 -1.754524 3.303404 ESP Fit Center 7414 is at -6.718132 -2.126081 3.303404 ESP Fit Center 7415 is at -6.470377 -2.451998 3.303404 ESP Fit Center 7416 is at -6.158351 -2.717035 3.303404 ESP Fit Center 7417 is at -5.796645 -2.908800 3.303404 ESP Fit Center 7418 is at -3.246875 -1.556997 3.303404 ESP Fit Center 7419 is at -2.903368 -1.150002 3.023930 ESP Fit Center 7420 is at -2.942989 -0.735067 3.023930 ESP Fit Center 7421 is at -7.044655 -0.145336 3.023930 ESP Fit Center 7422 is at -7.199572 -0.532301 3.023930 ESP Fit Center 7423 is at -7.278456 -0.941590 3.023930 ESP Fit Center 7424 is at -7.278456 -1.358413 3.023930 ESP Fit Center 7425 is at -7.199572 -1.767702 3.023930 ESP Fit Center 7426 is at -7.044655 -2.154667 3.023930 ESP Fit Center 7427 is at -6.819303 -2.505320 3.023930 ESP Fit Center 7428 is at -6.531663 -2.806988 3.023930 ESP Fit Center 7429 is at -6.192130 -3.048769 3.023930 ESP Fit Center 7430 is at -2.942989 -1.564936 3.023930 ESP Fit Center 7431 is at -2.644966 -1.150002 2.706311 ESP Fit Center 7432 is at -7.126478 0.222446 2.706311 ESP Fit Center 7433 is at -7.329215 -0.140469 2.706311 ESP Fit Center 7434 is at -7.126478 -2.522449 2.706311 ESP Fit Center 7435 is at -6.865325 -2.845881 2.706311 ESP Fit Center 7436 is at -6.553268 -3.120526 2.706311 ESP Fit Center 7437 is at -6.199285 -3.338482 2.706311 ESP Fit Center 7438 is at -2.680220 -1.564207 2.706311 ESP Fit Center 7439 is at -6.979365 0.733487 2.356466 ESP Fit Center 7440 is at -7.250818 0.415656 2.356466 ESP Fit Center 7441 is at -7.469210 0.059273 2.356466 ESP Fit Center 7442 is at -6.979365 -3.033491 2.356466 ESP Fit Center 7443 is at -6.661533 -3.304944 2.356466 ESP Fit Center 7444 is at -6.305150 -3.523336 2.356466 ESP Fit Center 7445 is at -7.057873 0.885009 1.980909 ESP Fit Center 7446 is at -7.333264 0.577654 1.980909 ESP Fit Center 7447 is at -6.740665 -3.448995 1.980909 ESP Fit Center 7448 is at -6.388401 -3.663979 1.980909 ESP Fit Center 7449 is at -6.564502 1.393734 1.586639 ESP Fit Center 7450 is at -6.904229 1.164585 1.586639 ESP Fit Center 7451 is at -7.208758 0.890385 1.586639 ESP Fit Center 7452 is at -6.564502 -3.693737 1.586639 ESP Fit Center 7453 is at -6.938554 1.208520 1.180998 ESP Fit Center 7454 is at -7.248864 0.929115 1.180998 ESP Fit Center 7455 is at -6.592379 -3.742021 1.180998 ESP Fit Center 7456 is at -6.217076 -3.925069 1.180998 ESP Fit Center 7457 is at -6.592379 -3.742021 0.771543 ESP Fit Center 7458 is at -6.217076 -3.925069 0.771543 ESP Fit Center 7459 is at -6.564502 -3.693737 0.365902 ESP Fit Center 7460 is at -6.196190 -3.873374 0.365902 ESP Fit Center 7461 is at -5.806461 -4.000005 0.365902 ESP Fit Center 7462 is at -6.388401 -3.663979 -0.028368 ESP Fit Center 7463 is at -6.008589 -3.825381 -0.028368 ESP Fit Center 7464 is at -5.609324 -3.929763 -0.028368 ESP Fit Center 7465 is at -6.661533 -3.304944 -0.403925 ESP Fit Center 7466 is at -6.305150 -3.523336 -0.403925 ESP Fit Center 7467 is at -5.918991 -3.683289 -0.403925 ESP Fit Center 7468 is at -5.512563 -3.780863 -0.403925 ESP Fit Center 7469 is at -6.553268 -3.120526 -0.753770 ESP Fit Center 7470 is at -6.199285 -3.338482 -0.753770 ESP Fit Center 7471 is at -5.000136 2.074273 1.521755 ESP Fit Center 7472 is at -5.408370 2.020528 1.521755 ESP Fit Center 7473 is at -5.788784 1.862955 1.521755 ESP Fit Center 7474 is at -5.308247 2.376372 1.260831 ESP Fit Center 7475 is at -5.705058 2.266198 1.260831 ESP Fit Center 7476 is at -6.068907 2.073297 1.260831 ESP Fit Center 7477 is at -6.382782 1.806689 1.260831 ESP Fit Center 7478 is at -6.632006 1.478840 1.260831 ESP Fit Center 7479 is at -5.311681 2.663823 0.954057 ESP Fit Center 7480 is at -5.716129 2.565704 0.954057 ESP Fit Center 7481 is at -6.094700 2.392817 0.954057 ESP Fit Center 7482 is at -6.433710 2.151409 0.954057 ESP Fit Center 7483 is at -6.720907 1.850206 0.954057 ESP Fit Center 7484 is at -5.308137 2.902207 0.608286 ESP Fit Center 7485 is at -5.710193 2.815558 0.608286 ESP Fit Center 7486 is at -6.091822 2.662207 0.608286 ESP Fit Center 7487 is at -6.442044 2.446566 0.608286 ESP Fit Center 7488 is at -6.750786 2.174839 0.608286 ESP Fit Center 7489 is at -5.407874 3.071333 0.231241 ESP Fit Center 7490 is at -5.805572 2.975854 0.231241 ESP Fit Center 7491 is at -6.183438 2.819337 0.231241 ESP Fit Center 7492 is at -6.532166 2.605636 0.231241 ESP Fit Center 7493 is at -6.843172 2.340013 0.231241 ESP Fit Center 7494 is at -5.313198 3.208764 -0.168655 ESP Fit Center 7495 is at -5.723482 3.129194 -0.168655 ESP Fit Center 7496 is at -6.116810 2.987927 -0.168655 ESP Fit Center 7497 is at -6.483965 2.788275 -0.168655 ESP Fit Center 7498 is at -6.816340 2.534916 -0.168655 ESP Fit Center 7499 is at -5.208795 3.281340 -0.582470 ESP Fit Center 7500 is at -5.621452 3.219142 -0.582470 ESP Fit Center 7501 is at -6.020230 3.096135 -0.582470 ESP Fit Center 7502 is at -6.396221 2.915067 -0.582470 ESP Fit Center 7503 is at -6.741026 2.679983 -0.582470 ESP Fit Center 7504 is at -4.791476 3.281340 -1.000958 ESP Fit Center 7505 is at -5.208795 3.281340 -1.000958 ESP Fit Center 7506 is at -5.621452 3.219142 -1.000958 ESP Fit Center 7507 is at -6.020230 3.096135 -1.000958 ESP Fit Center 7508 is at -6.396221 2.915067 -1.000958 ESP Fit Center 7509 is at -4.895577 3.224772 -1.414773 ESP Fit Center 7510 is at -5.313198 3.208764 -1.414773 ESP Fit Center 7511 is at -5.723482 3.129194 -1.414773 ESP Fit Center 7512 is at -6.116810 2.987927 -1.414773 ESP Fit Center 7513 is at -6.483965 2.788275 -1.414773 ESP Fit Center 7514 is at -4.592398 3.071333 -1.814669 ESP Fit Center 7515 is at -5.000136 3.103423 -1.814669 ESP Fit Center 7516 is at -5.407874 3.071333 -1.814669 ESP Fit Center 7517 is at -5.805572 2.975854 -1.814669 ESP Fit Center 7518 is at -6.183438 2.819337 -1.814669 ESP Fit Center 7519 is at -6.532166 2.605636 -1.814669 ESP Fit Center 7520 is at -4.489266 2.867422 -2.191714 ESP Fit Center 7521 is at -4.897221 2.919663 -2.191714 ESP Fit Center 7522 is at -5.308137 2.902207 -2.191714 ESP Fit Center 7523 is at -5.710193 2.815558 -2.191714 ESP Fit Center 7524 is at -6.091822 2.662207 -2.191714 ESP Fit Center 7525 is at -6.442044 2.446566 -2.191714 ESP Fit Center 7526 is at -4.090739 2.488278 -2.537485 ESP Fit Center 7527 is at -4.484029 2.624397 -2.537485 ESP Fit Center 7528 is at -4.895973 2.683625 -2.537485 ESP Fit Center 7529 is at -5.311681 2.663823 -2.537485 ESP Fit Center 7530 is at -5.716129 2.565704 -2.537485 ESP Fit Center 7531 is at -6.094700 2.392817 -2.537485 ESP Fit Center 7532 is at -6.433710 2.151409 -2.537485 ESP Fit Center 7533 is at -3.767199 1.948502 -2.844259 ESP Fit Center 7534 is at -4.108059 2.179611 -2.844259 ESP Fit Center 7535 is at -4.490632 2.332042 -2.844259 ESP Fit Center 7536 is at -4.897029 2.398667 -2.844259 ESP Fit Center 7537 is at -5.308247 2.376372 -2.844259 ESP Fit Center 7538 is at -5.705058 2.266198 -2.844259 ESP Fit Center 7539 is at -6.068907 2.073297 -2.844259 ESP Fit Center 7540 is at -6.382782 1.806689 -2.844259 ESP Fit Center 7541 is at -3.422839 0.496977 -3.105183 ESP Fit Center 7542 is at -3.476585 0.905211 -3.105183 ESP Fit Center 7543 is at -3.634157 1.285625 -3.105183 ESP Fit Center 7544 is at -3.884819 1.612293 -3.105183 ESP Fit Center 7545 is at -4.211488 1.862955 -3.105183 ESP Fit Center 7546 is at -4.591901 2.020528 -3.105183 ESP Fit Center 7547 is at -5.000136 2.074273 -3.105183 ESP Fit Center 7548 is at -5.408370 2.020528 -3.105183 ESP Fit Center 7549 is at -5.788784 1.862955 -3.105183 ESP Fit Center 7550 is at -6.115452 1.612293 -3.105183 ESP Fit Center 7551 is at -6.115452 -0.618340 -3.105183 ESP Fit Center 7552 is at -3.785261 0.496977 -3.314427 ESP Fit Center 7553 is at -3.858527 0.912488 -3.314427 ESP Fit Center 7554 is at -4.069488 1.277883 -3.314427 ESP Fit Center 7555 is at -4.392698 1.549089 -3.314427 ESP Fit Center 7556 is at -4.789175 1.693394 -3.314427 ESP Fit Center 7557 is at -5.211096 1.693394 -3.314427 ESP Fit Center 7558 is at -5.607573 1.549089 -3.314427 ESP Fit Center 7559 is at -5.930783 1.277883 -3.314427 ESP Fit Center 7560 is at -6.141744 0.912488 -3.314427 ESP Fit Center 7561 is at -6.215010 0.496977 -3.314427 ESP Fit Center 7562 is at -6.141744 0.081465 -3.314427 ESP Fit Center 7563 is at -5.930783 -0.283930 -3.314427 ESP Fit Center 7564 is at -5.607573 -0.555136 -3.314427 ESP Fit Center 7565 is at -5.211096 -0.699441 -3.314427 ESP Fit Center 7566 is at -4.069488 -0.283930 -3.314427 ESP Fit Center 7567 is at -3.858527 0.081465 -3.314427 ESP Fit Center 7568 is at -4.174821 0.496977 -3.467318 ESP Fit Center 7569 is at -4.285392 0.909634 -3.467318 ESP Fit Center 7570 is at -4.587478 1.211720 -3.467318 ESP Fit Center 7571 is at -5.000136 1.322291 -3.467318 ESP Fit Center 7572 is at -5.412793 1.211720 -3.467318 ESP Fit Center 7573 is at -5.714879 0.909634 -3.467318 ESP Fit Center 7574 is at -5.825450 0.496977 -3.467318 ESP Fit Center 7575 is at -5.714879 0.084319 -3.467318 ESP Fit Center 7576 is at -5.412793 -0.217767 -3.467318 ESP Fit Center 7577 is at -5.000136 -0.328338 -3.467318 ESP Fit Center 7578 is at -4.587478 -0.217767 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ESP Fit Center 8028 is at -3.012837 -2.904866 2.852350 ESP Fit Center 8029 is at -2.866837 -2.503735 2.852350 ESP Fit Center 8030 is at -5.928025 -3.723342 2.509660 ESP Fit Center 8031 is at -5.571128 -3.945797 2.509660 ESP Fit Center 8032 is at -5.176758 -4.091856 2.509660 ESP Fit Center 8033 is at -4.761059 -4.155539 2.509660 ESP Fit Center 8034 is at -4.341050 -4.134239 2.509660 ESP Fit Center 8035 is at -3.933926 -4.028827 2.509660 ESP Fit Center 8036 is at -3.556355 -3.843620 2.509660 ESP Fit Center 8037 is at -3.223796 -3.586199 2.509660 ESP Fit Center 8038 is at -2.949862 -3.267104 2.509660 ESP Fit Center 8039 is at -2.745768 -2.899399 2.509660 ESP Fit Center 8040 is at -6.132669 -3.784159 2.130508 ESP Fit Center 8041 is at -5.783418 -4.032860 2.130508 ESP Fit Center 8042 is at -5.393410 -4.210970 2.130508 ESP Fit Center 8043 is at -4.976744 -4.312053 2.130508 ESP Fit Center 8044 is at -4.548477 -4.332454 2.130508 ESP Fit Center 8045 is at -4.124088 -4.271436 2.130508 ESP Fit Center 8046 is at -3.718917 -4.131204 2.130508 ESP Fit Center 8047 is at -3.347606 -3.916828 2.130508 ESP Fit Center 8048 is at -5.957853 -4.052292 1.726415 ESP Fit Center 8049 is at -5.584716 -4.253085 1.726415 ESP Fit Center 8050 is at -5.181723 -4.384025 1.726415 ESP Fit Center 8051 is at -4.761826 -4.440904 1.726415 ESP Fit Center 8052 is at -4.338521 -4.421894 1.726415 ESP Fit Center 8053 is at -3.925413 -4.327605 1.726415 ESP Fit Center 8054 is at -5.855786 -4.158207 1.309660 ESP Fit Center 8055 is at -5.476635 -4.335008 1.309660 ESP Fit Center 8056 is at -5.072542 -4.443284 1.309660 ESP Fit Center 8057 is at -4.655786 -4.479746 1.309660 ESP Fit Center 8058 is at -4.239031 -4.443284 1.309660 ESP Fit Center 8059 is at -5.957853 -4.052292 0.892904 ESP Fit Center 8060 is at -5.584716 -4.253085 0.892904 ESP Fit Center 8061 is at -5.181723 -4.384025 0.892904 ESP Fit Center 8062 is at -4.761826 -4.440904 0.892904 ESP Fit Center 8063 is at -5.783418 -4.032860 0.488811 ESP Fit Center 8064 is at -5.393410 -4.210970 0.488811 ESP Fit Center 8065 is at -4.976744 -4.312053 0.488811 ESP Fit Center 8066 is at -5.176758 -4.091856 0.109660 ESP Fit Center 8067 is at -7.365910 -1.301626 2.942514 ESP Fit Center 8068 is at -7.293541 -1.712050 2.942514 ESP Fit Center 8069 is at -7.580883 -0.687016 2.702560 ESP Fit Center 8070 is at -7.694231 -1.091563 2.702560 ESP Fit Center 8071 is at -7.694231 -1.511689 2.702560 ESP Fit Center 8072 is at -7.580883 -1.916235 2.702560 ESP Fit Center 8073 is at -7.362592 -2.275199 2.702560 ESP Fit Center 8074 is at -7.701960 -0.291350 2.406743 ESP Fit Center 8075 is at -7.893541 -0.672820 2.406743 ESP Fit Center 8076 is at -7.991985 -1.088188 2.406743 ESP Fit Center 8077 is at -7.991985 -1.515064 2.406743 ESP Fit Center 8078 is at -7.893541 -1.930432 2.406743 ESP Fit Center 8079 is at -7.701960 -2.311902 2.406743 ESP Fit Center 8080 is at -7.427570 -2.638907 2.406743 ESP Fit Center 8081 is at -7.085163 -2.893819 2.406743 ESP Fit Center 8082 is at 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0.864053 ESP Fit Center 8119 is at -8.421172 -0.480778 0.864053 ESP Fit Center 8120 is at -8.529448 -0.884870 0.864053 ESP Fit Center 8121 is at -8.565910 -1.301626 0.864053 ESP Fit Center 8122 is at -8.529448 -1.718382 0.864053 ESP Fit Center 8123 is at -8.421172 -2.122474 0.864053 ESP Fit Center 8124 is at -8.244371 -2.501626 0.864053 ESP Fit Center 8125 is at -8.004416 -2.844316 0.864053 ESP Fit Center 8126 is at -7.708600 -3.140133 0.864053 ESP Fit Center 8127 is at -7.365910 -3.380087 0.864053 ESP Fit Center 8128 is at -6.986758 -3.556888 0.864053 ESP Fit Center 8129 is at -8.078053 0.087627 0.447297 ESP Fit Center 8130 is at -8.295385 -0.276125 0.447297 ESP Fit Center 8131 is at -8.444273 -0.672838 0.447297 ESP Fit Center 8132 is at -8.519934 -1.089760 0.447297 ESP Fit Center 8133 is at -8.519934 -1.513492 0.447297 ESP Fit Center 8134 is at -8.444273 -1.930414 0.447297 ESP Fit Center 8135 is at -8.295385 -2.327127 0.447297 ESP Fit Center 8136 is at -8.078053 -2.690879 0.447297 ESP Fit Center 8137 is at -7.799263 -3.009980 0.447297 ESP Fit Center 8138 is at -7.467976 -3.274172 0.447297 ESP Fit Center 8139 is at -7.094840 -3.474965 0.447297 ESP Fit Center 8140 is at -8.170467 -0.268205 0.043205 ESP Fit Center 8141 is at -8.329818 -0.666245 0.043205 ESP Fit Center 8142 is at -8.410960 -1.087250 0.043205 ESP Fit Center 8143 is at -8.410960 -1.516002 0.043205 ESP Fit Center 8144 is at -8.329818 -1.937007 0.043205 ESP Fit Center 8145 is at -8.170467 -2.335047 0.043205 ESP Fit Center 8146 is at -7.938666 -2.695737 0.043205 ESP Fit Center 8147 is at -7.642793 -3.006039 0.043205 ESP Fit Center 8148 is at -7.293541 -3.254740 0.043205 ESP Fit Center 8149 is at -6.903534 -3.432851 0.043205 ESP Fit Center 8150 is at -8.149051 -0.679411 -0.335947 ESP Fit Center 8151 is at -8.233707 -1.091352 -0.335947 ESP Fit Center 8152 is at -8.233707 -1.511900 -0.335947 ESP Fit Center 8153 is at -8.149051 -1.923841 -0.335947 ESP Fit Center 8154 is at -7.983205 -2.310307 -0.335947 ESP Fit Center 8155 is at -7.742959 -2.655478 -0.335947 ESP Fit Center 8156 is at -7.438148 -2.945222 -0.335947 ESP Fit Center 8157 is at -7.081252 -3.167678 -0.335947 ESP Fit Center 8158 is at -7.991985 -1.088188 -0.678637 ESP Fit Center 8159 is at -7.991985 -1.515064 -0.678637 ESP Fit Center 8160 is at -7.893541 -1.930432 -0.678637 ESP Fit Center 8161 is at -7.701960 -2.311902 -0.678637 ESP Fit Center 8162 is at -7.427570 -2.638907 -0.678637 ESP Fit Center 8163 is at -7.085163 -2.893819 -0.678637 ESP Fit Center 8164 is at -7.694231 -1.511689 -0.974454 ESP Fit Center 8165 is at -7.580883 -1.916235 -0.974454 ESP Fit Center 8166 is at -7.362592 -2.275199 -0.974454 ESP Fit Center 8167 is at -7.055549 -2.561957 -0.974454 ESP Fit Center 8168 is at -7.293541 -1.712050 -1.214408 ESP Fit Center 8169 is at -7.085163 -2.072971 -1.214408 ESP Fit Center 8170 is at 1.973895 -1.201750 3.202978 ESP Fit Center 8171 is at 2.382395 -1.201750 3.175036 ESP Fit Center 8172 is at 2.178145 -0.847978 3.175036 ESP Fit Center 8173 is at 1.769645 -0.847978 3.175036 ESP Fit Center 8174 is at 1.565395 -1.201750 3.175036 ESP Fit Center 8175 is at 2.674847 -0.797054 3.091730 ESP Fit Center 8176 is at 2.378590 -0.500797 3.091730 ESP Fit Center 8177 is at 1.973895 -0.392359 3.091730 ESP Fit Center 8178 is at 1.272942 -0.797054 3.091730 ESP Fit Center 8179 is at 1.164504 -1.201750 3.091730 ESP Fit Center 8180 is at 2.571496 -0.166673 2.954612 ESP Fit Center 8181 is at 0.778691 -1.201750 2.954612 ESP Fit Center 8182 is at 2.480396 -3.026004 -2.124156 ESP Fit Center 8183 is at 2.860715 -2.874471 -2.124156 ESP Fit Center 8184 is at 1.074993 -2.475203 -2.360280 ESP Fit Center 8185 is at 1.451900 -2.670501 -2.360280 ESP Fit Center 8186 is at 1.867522 -2.756868 -2.360280 ESP Fit Center 8187 is at 2.291032 -2.727899 -2.360280 ESP Fit Center 8188 is at 2.691022 -2.585742 -2.360280 ESP Fit Center 8189 is at 1.058316 -1.970011 -2.548656 ESP Fit Center 8190 is at 1.376293 -2.236826 -2.548656 ESP Fit Center 8191 is at 1.766350 -2.378795 -2.548656 ESP Fit Center 8192 is at 2.181440 -2.378795 -2.548656 ESP Fit Center 8193 is at 2.571496 -2.236826 -2.548656 ESP Fit Center 8194 is at 1.272942 -1.606445 -2.685774 ESP Fit Center 8195 is at 1.569199 -1.902702 -2.685774 ESP Fit Center 8196 is at 1.973895 -2.011140 -2.685774 ESP Fit Center 8197 is at 2.378590 -1.902702 -2.685774 ESP Fit Center 8198 is at 1.565395 -1.201750 -2.769080 ESP Fit Center 8199 is at 1.769645 -1.555521 -2.769080 ESP Fit Center 8200 is at 2.178145 -1.555521 -2.769080 ESP Fit Center 8201 is at 1.973895 -1.201750 -2.797022 ESP Fit Center 8202 is at -4.903574 2.127821 1.538327 ESP Fit Center 8203 is at -4.993238 2.507696 1.195637 ESP Fit Center 8204 is at -0.434155 2.553140 4.923977 ESP Fit Center 8205 is at -0.021814 2.553140 4.905458 ESP Fit Center 8206 is at -0.227985 2.910238 4.905458 ESP Fit Center 8207 is at -0.640325 2.910238 4.905458 ESP Fit Center 8208 is at -0.846496 2.553140 4.905458 ESP Fit Center 8209 is at -0.640325 2.196043 4.905458 ESP Fit Center 8210 is at -0.227985 2.196043 4.905458 ESP Fit Center 8211 is at 0.387207 2.553140 4.850053 ESP Fit Center 8212 is at 0.277165 2.963821 4.850053 ESP Fit Center 8213 is at -0.023474 3.264460 4.850053 ESP Fit Center 8214 is at -0.434155 3.374502 4.850053 ESP Fit Center 8215 is at -0.844836 3.264460 4.850053 ESP Fit Center 8216 is at -1.145475 2.963821 4.850053 ESP Fit Center 8217 is at -1.255517 2.553140 4.850053 ESP Fit Center 8218 is at -1.145475 2.142459 4.850053 ESP Fit Center 8219 is at -0.844836 1.841820 4.850053 ESP Fit Center 8220 is at -0.434155 1.731778 4.850053 ESP Fit Center 8221 is at -0.023474 1.841820 4.850053 ESP Fit Center 8222 is at 0.277165 2.142459 4.850053 ESP Fit Center 8223 is at 0.789614 2.553140 4.758206 ESP Fit Center 8224 is at 0.715812 2.971694 4.758206 ESP Fit Center 8225 is at 0.503307 3.339764 4.758206 ESP Fit Center 8226 is at 0.177730 3.612956 4.758206 ESP Fit Center 8227 is at -0.221650 3.758318 4.758206 ESP Fit Center 8228 is at -0.646660 3.758318 4.758206 ESP Fit Center 8229 is at -1.046040 3.612956 4.758206 ESP Fit Center 8230 is at -1.371617 3.339764 4.758206 ESP Fit Center 8231 is at -1.584122 2.971694 4.758206 ESP Fit Center 8232 is at -1.657925 2.553140 4.758206 ESP Fit Center 8233 is at -1.584122 2.134586 4.758206 ESP Fit Center 8234 is at -1.371617 1.766516 4.758206 ESP Fit Center 8235 is at -1.046040 1.493325 4.758206 ESP Fit Center 8236 is at -0.646660 1.347962 4.758206 ESP Fit Center 8237 is at -0.221650 1.347962 4.758206 ESP Fit Center 8238 is at 0.177730 1.493325 4.758206 ESP Fit Center 8239 is at 0.503307 1.766516 4.758206 ESP Fit Center 8240 is at 0.715812 2.134586 4.758206 ESP Fit Center 8241 is at 1.182169 2.553140 4.630657 ESP Fit Center 8242 is at 1.127094 2.971476 4.630657 ESP Fit Center 8243 is at 0.965623 3.361302 4.630657 ESP Fit Center 8244 is at 0.708759 3.696054 4.630657 ESP Fit Center 8245 is at 0.374007 3.952918 4.630657 ESP Fit Center 8246 is at -0.015820 4.114389 4.630657 ESP Fit Center 8247 is at -0.434155 4.169464 4.630657 ESP Fit Center 8248 is at -0.852490 4.114389 4.630657 ESP Fit Center 8249 is at -1.242317 3.952918 4.630657 ESP Fit Center 8250 is at -1.577069 3.696054 4.630657 ESP Fit Center 8251 is at -1.833933 3.361302 4.630657 ESP Fit Center 8252 is at -1.995404 2.971476 4.630657 ESP Fit Center 8253 is at -2.050479 2.553140 4.630657 ESP Fit Center 8254 is at -1.995404 2.134805 4.630657 ESP Fit Center 8255 is at -1.833933 1.744978 4.630657 ESP Fit Center 8256 is at -1.577069 1.410226 4.630657 ESP Fit Center 8257 is at -1.242317 1.153362 4.630657 ESP Fit Center 8258 is at -0.852490 0.991891 4.630657 ESP Fit Center 8259 is at -0.434155 0.936816 4.630657 ESP Fit Center 8260 is at -0.015820 0.991891 4.630657 ESP Fit Center 8261 is at 0.374007 1.153362 4.630657 ESP Fit Center 8262 is at 0.708759 1.410226 4.630657 ESP Fit Center 8263 is at 0.965623 1.744978 4.630657 ESP Fit Center 8264 is at 1.127094 2.134805 4.630657 ESP Fit Center 8265 is at 1.561710 2.553140 4.468434 ESP Fit Center 8266 is at 1.518096 2.968104 4.468434 ESP Fit Center 8267 is at 1.389159 3.364932 4.468434 ESP Fit Center 8268 is at 1.180534 3.726280 4.468434 ESP Fit Center 8269 is at 0.901339 4.036357 4.468434 ESP Fit Center 8270 is at 0.563778 4.281610 4.468434 ESP Fit Center 8271 is at 0.182601 4.451321 4.468434 ESP Fit Center 8272 is at -0.225530 4.538072 4.468434 ESP Fit Center 8273 is at -0.642780 4.538072 4.468434 ESP Fit Center 8274 is at -1.050911 4.451321 4.468434 ESP Fit Center 8275 is at -1.432088 4.281610 4.468434 ESP Fit Center 8276 is at -1.769650 4.036357 4.468434 ESP Fit Center 8277 is at -2.048844 3.726280 4.468434 ESP Fit Center 8278 is at -2.257469 3.364932 4.468434 ESP Fit Center 8279 is at -2.386406 2.968104 4.468434 ESP Fit Center 8280 is at -2.430020 2.553140 4.468434 ESP Fit Center 8281 is at -2.386406 2.138176 4.468434 ESP Fit Center 8282 is at -2.257469 1.741349 4.468434 ESP Fit Center 8283 is at -2.048844 1.380000 4.468434 ESP Fit Center 8284 is at -1.769650 1.069923 4.468434 ESP Fit Center 8285 is at -1.432088 0.824670 4.468434 ESP Fit Center 8286 is at -1.050911 0.654960 4.468434 ESP Fit Center 8287 is at -0.642780 0.568209 4.468434 ESP Fit Center 8288 is at -0.225530 0.568209 4.468434 ESP Fit Center 8289 is at 0.182601 0.654960 4.468434 ESP Fit Center 8290 is at 0.563778 0.824670 4.468434 ESP Fit Center 8291 is at 0.901339 1.069923 4.468434 ESP Fit Center 8292 is at 1.180534 1.380000 4.468434 ESP Fit Center 8293 is at 1.389159 1.741349 4.468434 ESP Fit Center 8294 is at 1.518096 2.138176 4.468434 ESP Fit Center 8295 is at 1.925182 2.553140 4.272841 ESP Fit Center 8296 is at 1.887266 2.974416 4.272841 ESP Fit Center 8297 is at 1.774738 3.382152 4.272841 ESP Fit Center 8298 is at 1.591215 3.763242 4.272841 ESP Fit Center 8299 is at 1.342594 4.105439 4.272841 ESP Fit Center 8300 is at 1.036867 4.397744 4.272841 ESP Fit Center 8301 is at 0.683861 4.630761 4.272841 ESP Fit Center 8302 is at 0.294920 4.797003 4.272841 ESP Fit Center 8303 is at -0.117454 4.891124 4.272841 ESP Fit Center 8304 is at -0.540006 4.910101 4.272841 ESP Fit Center 8305 is at -0.959157 4.853323 4.272841 ESP Fit Center 8306 is at -1.361433 4.722616 4.272841 ESP Fit Center 8307 is at -1.733906 4.522179 4.272841 ESP Fit Center 8308 is at -2.064604 4.258457 4.272841 ESP Fit Center 8309 is at -2.342898 3.939923 4.272841 ESP Fit Center 8310 is at -2.559844 3.576818 4.272841 ESP Fit Center 8311 is at -2.708468 3.180811 4.272841 ESP Fit Center 8312 is at -2.783994 2.764629 4.272841 ESP Fit Center 8313 is at -2.783994 2.341651 4.272841 ESP Fit Center 8314 is at -2.708468 1.925470 4.272841 ESP Fit Center 8315 is at -2.559844 1.529462 4.272841 ESP Fit Center 8316 is at -2.342898 1.166357 4.272841 ESP Fit Center 8317 is at -2.064604 0.847824 4.272841 ESP Fit Center 8318 is at -1.733906 0.584101 4.272841 ESP Fit Center 8319 is at -1.361433 0.383665 4.272841 ESP Fit Center 8320 is at -0.959157 0.252957 4.272841 ESP Fit Center 8321 is at -0.540006 0.196179 4.272841 ESP Fit Center 8322 is at -0.117454 0.215156 4.272841 ESP Fit Center 8323 is at 0.294920 0.309278 4.272841 ESP Fit Center 8324 is at 0.683861 0.475519 4.272841 ESP Fit Center 8325 is at 1.036867 0.708536 4.272841 ESP Fit Center 8326 is at 1.342594 1.000841 4.272841 ESP Fit Center 8327 is at 1.591215 1.343038 4.272841 ESP Fit Center 8328 is at 1.774738 1.724129 4.272841 ESP Fit Center 8329 is at 1.887266 2.131864 4.272841 ESP Fit Center 8330 is at 2.269657 2.553140 4.045455 ESP Fit Center 8331 is at 2.237970 2.965875 4.045455 ESP Fit Center 8332 is at 2.143650 3.368936 4.045455 ESP Fit Center 8333 is at 1.988908 3.752875 4.045455 ESP Fit Center 8334 is at 1.777372 4.108694 4.045455 ESP Fit Center 8335 is at 1.514000 4.428051 4.045455 ESP Fit Center 8336 is at 1.204965 4.703463 4.045455 ESP Fit Center 8337 is at 0.857510 4.928472 4.045455 ESP Fit Center 8338 is at 0.479779 5.097806 4.045455 ESP Fit Center 8339 is at 0.080627 5.207495 4.045455 ESP Fit Center 8340 is at -0.330592 5.254968 4.045455 ESP Fit Center 8341 is at -0.744237 5.239113 4.045455 ESP Fit Center 8342 is at -1.150615 5.160300 4.045455 ESP Fit Center 8343 is at -1.540200 5.020379 4.045455 ESP Fit Center 8344 is at -1.903860 4.822627 4.045455 ESP Fit Center 8345 is at -2.233071 4.571680 4.045455 ESP Fit Center 8346 is at -2.520117 4.273420 4.045455 ESP Fit Center 8347 is at -2.758270 3.934839 4.045455 ESP Fit Center 8348 is at -2.941947 3.563871 4.045455 ESP Fit Center 8349 is at -3.066845 3.169213 4.045455 ESP Fit Center 8350 is at -3.130034 2.760115 4.045455 ESP Fit Center 8351 is at -3.130034 2.346165 4.045455 ESP Fit Center 8352 is at -3.066845 1.937067 4.045455 ESP Fit Center 8353 is at -2.941947 1.542409 4.045455 ESP Fit Center 8354 is at -2.758270 1.171442 4.045455 ESP Fit Center 8355 is at -2.520117 0.832860 4.045455 ESP Fit Center 8356 is at -2.233071 0.534600 4.045455 ESP Fit Center 8357 is at -1.903860 0.283654 4.045455 ESP Fit Center 8358 is at -1.540200 0.085902 4.045455 ESP Fit Center 8359 is at -1.150615 -0.054020 4.045455 ESP Fit Center 8360 is at -0.744237 -0.132832 4.045455 ESP Fit Center 8361 is at -0.330592 -0.148688 4.045455 ESP Fit Center 8362 is at 0.080627 -0.101215 4.045455 ESP Fit Center 8363 is at 0.479779 0.008474 4.045455 ESP Fit Center 8364 is at 0.857510 0.177808 4.045455 ESP Fit Center 8365 is at 1.204965 0.402818 4.045455 ESP Fit Center 8366 is at 1.514000 0.678229 4.045455 ESP Fit Center 8367 is at 1.777372 0.997587 4.045455 ESP Fit Center 8368 is at 1.988908 1.353405 4.045455 ESP Fit Center 8369 is at 2.143650 1.737344 4.045455 ESP Fit Center 8370 is at 2.237970 2.140405 4.045455 ESP Fit Center 8371 is at 2.592363 2.553140 3.788105 ESP Fit Center 8372 is at 2.564174 2.965251 3.788105 ESP Fit Center 8373 is at 2.480132 3.369685 3.788105 ESP Fit Center 8374 is at 2.341802 3.758908 3.788105 ESP Fit Center 8375 is at 2.151761 4.125670 3.788105 ESP Fit Center 8376 is at 1.913549 4.463139 3.788105 ESP Fit Center 8377 is at 1.631604 4.765028 3.788105 ESP Fit Center 8378 is at 1.311178 5.025714 3.788105 ESP Fit Center 8379 is at 0.958240 5.240341 3.788105 ESP Fit Center 8380 is at 0.579364 5.404910 3.788105 ESP Fit Center 8381 is at 0.181608 5.516356 3.788105 ESP Fit Center 8382 is at -0.227618 5.572603 3.788105 ESP Fit Center 8383 is at -0.640692 5.572603 3.788105 ESP Fit Center 8384 is at -1.049918 5.516356 3.788105 ESP Fit Center 8385 is at -1.447674 5.404910 3.788105 ESP Fit Center 8386 is at -1.826550 5.240341 3.788105 ESP Fit Center 8387 is at -2.179488 5.025714 3.788105 ESP Fit Center 8388 is at -2.499914 4.765028 3.788105 ESP Fit Center 8389 is at -2.781859 4.463139 3.788105 ESP Fit Center 8390 is at -3.020071 4.125670 3.788105 ESP Fit Center 8391 is at -3.210112 3.758908 3.788105 ESP Fit Center 8392 is at -3.348442 3.369685 3.788105 ESP Fit Center 8393 is at -3.432484 2.965251 3.788105 ESP Fit Center 8394 is at -3.460673 2.553140 3.788105 ESP Fit Center 8395 is at -3.432484 2.141029 3.788105 ESP Fit Center 8396 is at -3.348442 1.736595 3.788105 ESP Fit Center 8397 is at -3.210112 1.347372 3.788105 ESP Fit Center 8398 is at -3.020071 0.980610 3.788105 ESP Fit Center 8399 is at -2.781859 0.643141 3.788105 ESP Fit Center 8400 is at -2.499914 0.341252 3.788105 ESP Fit Center 8401 is at -2.179488 0.080566 3.788105 ESP Fit Center 8402 is at -1.826550 -0.134061 3.788105 ESP Fit Center 8403 is at -1.447674 -0.298630 3.788105 ESP Fit Center 8404 is at -1.049918 -0.410076 3.788105 ESP Fit Center 8405 is at -0.640692 -0.466322 3.788105 ESP Fit Center 8406 is at -0.227618 -0.466322 3.788105 ESP Fit Center 8407 is at 0.181608 -0.410076 3.788105 ESP Fit Center 8408 is at 0.579364 -0.298630 3.788105 ESP Fit Center 8409 is at 0.958240 -0.134061 3.788105 ESP Fit Center 8410 is at 1.311178 0.080566 3.788105 ESP Fit Center 8411 is at 1.631604 0.341252 3.788105 ESP Fit Center 8412 is at 1.913549 0.643141 3.788105 ESP Fit Center 8413 is at 2.151761 0.980610 3.788105 ESP Fit Center 8414 is at 2.341802 1.347372 3.788105 ESP Fit Center 8415 is at 2.480132 1.736595 3.788105 ESP Fit Center 8416 is at 2.564174 2.141029 3.788105 ESP Fit Center 8417 is at 2.890701 2.553140 3.502865 ESP Fit Center 8418 is at 2.864484 2.969855 3.502865 ESP Fit Center 8419 is at 2.786245 3.379998 3.502865 ESP Fit Center 8420 is at 2.657218 3.777101 3.502865 ESP Fit Center 8421 is at 2.479439 4.154902 3.502865 ESP Fit Center 8422 is at 2.255710 4.507442 3.502865 ESP Fit Center 8423 is at 1.989561 4.829161 3.502865 ESP Fit Center 8424 is at 1.685188 5.114986 3.502865 ESP Fit Center 8425 is at 1.347392 5.360409 3.502865 ESP Fit Center 8426 is at 0.981500 5.561560 3.502865 ESP Fit Center 8427 is at 0.593282 5.715266 3.502865 ESP Fit Center 8428 is at 0.188861 5.819104 3.502865 ESP Fit Center 8429 is at -0.225386 5.871436 3.502865 ESP Fit Center 8430 is at -0.642924 5.871436 3.502865 ESP Fit Center 8431 is at -1.057171 5.819104 3.502865 ESP Fit Center 8432 is at -1.461592 5.715266 3.502865 ESP Fit Center 8433 is at -1.849810 5.561560 3.502865 ESP Fit Center 8434 is at -2.215702 5.360409 3.502865 ESP Fit Center 8435 is at -2.553498 5.114986 3.502865 ESP Fit Center 8436 is at -2.857871 4.829161 3.502865 ESP Fit Center 8437 is at -3.124020 4.507442 3.502865 ESP Fit Center 8438 is at -3.347749 4.154902 3.502865 ESP Fit Center 8439 is at -3.525528 3.777101 3.502865 ESP Fit Center 8440 is at -3.654555 3.379998 3.502865 ESP Fit Center 8441 is at -3.732794 2.969855 3.502865 ESP Fit Center 8442 is at -3.759011 2.553140 3.502865 ESP Fit Center 8443 is at -3.732794 2.136425 3.502865 ESP Fit Center 8444 is at -3.654555 1.726282 3.502865 ESP Fit Center 8445 is at -3.525528 1.329179 3.502865 ESP Fit Center 8446 is at -3.347749 0.951378 3.502865 ESP Fit Center 8447 is at -3.124020 0.598839 3.502865 ESP Fit Center 8448 is at -2.857871 0.277119 3.502865 ESP Fit Center 8449 is at -2.553498 -0.008706 3.502865 ESP Fit Center 8450 is at -2.215702 -0.254129 3.502865 ESP Fit Center 8451 is at -1.849810 -0.455280 3.502865 ESP Fit Center 8452 is at -1.461592 -0.608986 3.502865 ESP Fit Center 8453 is at -1.057171 -0.712824 3.502865 ESP Fit Center 8454 is at -0.642924 -0.765155 3.502865 ESP Fit Center 8455 is at -0.225386 -0.765155 3.502865 ESP Fit Center 8456 is at 0.188861 -0.712824 3.502865 ESP Fit Center 8457 is at 0.593282 -0.608986 3.502865 ESP Fit Center 8458 is at 0.981500 -0.455280 3.502865 ESP Fit Center 8459 is at 1.347392 -0.254129 3.502865 ESP Fit Center 8460 is at 1.685188 -0.008706 3.502865 ESP Fit Center 8461 is at 1.989561 0.277119 3.502865 ESP Fit Center 8462 is at 2.255710 0.598839 3.502865 ESP Fit Center 8463 is at 2.479439 0.951378 3.502865 ESP Fit Center 8464 is at 2.657218 1.329179 3.502865 ESP Fit Center 8465 is at 2.786245 1.726282 3.502865 ESP Fit Center 8466 is at 2.864484 2.136425 3.502865 ESP Fit Center 8467 is at 3.162270 2.553140 3.192030 ESP Fit Center 8468 is at 3.137952 2.970660 3.192030 ESP Fit Center 8469 is at 3.065328 3.382533 3.192030 ESP Fit Center 8470 is at 2.945379 3.783190 3.192030 ESP Fit Center 8471 is at 2.779728 4.167213 3.192030 ESP Fit Center 8472 is at 2.570614 4.529408 3.192030 ESP Fit Center 8473 is at 2.320866 4.864877 3.192030 ESP Fit Center 8474 is at 2.033861 5.169085 3.192030 ESP Fit Center 8475 is at 1.713481 5.437916 3.192030 ESP Fit Center 8476 is at 1.364057 5.667735 3.192030 ESP Fit Center 8477 is at 0.990316 5.855435 3.192030 ESP Fit Center 8478 is at 0.597311 5.998477 3.192030 ESP Fit Center 8479 is at 0.190358 6.094927 3.192030 ESP Fit Center 8480 is at -0.225042 6.143480 3.192030 ESP Fit Center 8481 is at -0.643269 6.143480 3.192030 ESP Fit Center 8482 is at -1.058668 6.094927 3.192030 ESP Fit Center 8483 is at -1.465621 5.998477 3.192030 ESP Fit Center 8484 is at -1.858626 5.855435 3.192030 ESP Fit Center 8485 is at -2.232367 5.667735 3.192030 ESP Fit Center 8486 is at -2.581791 5.437916 3.192030 ESP Fit Center 8487 is at -2.902171 5.169085 3.192030 ESP Fit Center 8488 is at -3.189176 4.864877 3.192030 ESP Fit Center 8489 is at -3.438924 4.529408 3.192030 ESP Fit Center 8490 is at -3.648038 4.167213 3.192030 ESP Fit Center 8491 is at -3.813689 3.783190 3.192030 ESP Fit Center 8492 is at -3.933638 3.382533 3.192030 ESP Fit Center 8493 is at -4.006262 2.970660 3.192030 ESP Fit Center 8494 is at -4.030580 2.553140 3.192030 ESP Fit Center 8495 is at -4.006262 2.135621 3.192030 ESP Fit Center 8496 is at -3.933638 1.723748 3.192030 ESP Fit Center 8497 is at -3.813689 1.323090 3.192030 ESP Fit Center 8498 is at -2.902171 -0.062804 3.192030 ESP Fit Center 8499 is at -2.581791 -0.331636 3.192030 ESP Fit Center 8500 is at -2.232367 -0.561455 3.192030 ESP Fit Center 8501 is at -1.858626 -0.749155 3.192030 ESP Fit Center 8502 is at -1.465621 -0.892197 3.192030 ESP Fit Center 8503 is at -1.058668 -0.988647 3.192030 ESP Fit Center 8504 is at -0.643269 -1.037200 3.192030 ESP Fit Center 8505 is at -0.225042 -1.037200 3.192030 ESP Fit Center 8506 is at 0.190358 -0.988647 3.192030 ESP Fit Center 8507 is at 0.597311 -0.892197 3.192030 ESP Fit Center 8508 is at 0.990316 -0.749155 3.192030 ESP Fit Center 8509 is at 1.364057 -0.561455 3.192030 ESP Fit Center 8510 is at 1.713481 -0.331636 3.192030 ESP Fit Center 8511 is at 2.033861 -0.062804 3.192030 ESP Fit Center 8512 is at 2.320866 0.241403 3.192030 ESP Fit Center 8513 is at 2.570614 0.576872 3.192030 ESP Fit Center 8514 is at 2.779728 0.939068 3.192030 ESP Fit Center 8515 is at 2.945379 1.323090 3.192030 ESP Fit Center 8516 is at 3.065328 1.723748 3.192030 ESP Fit Center 8517 is at 3.137952 2.135621 3.192030 ESP Fit Center 8518 is at 3.404882 2.553140 2.858103 ESP Fit Center 8519 is at 3.382377 2.968213 2.858103 ESP Fit Center 8520 is at 3.315127 3.378420 2.858103 ESP Fit Center 8521 is at 3.203921 3.778951 2.858103 ESP Fit Center 8522 is at 3.050061 4.165110 2.858103 ESP Fit Center 8523 is at 2.855351 4.532370 2.858103 ESP Fit Center 8524 is at 2.622076 4.876426 2.858103 ESP Fit Center 8525 is at 2.352969 5.193244 2.858103 ESP Fit Center 8526 is at 2.051185 5.479108 2.858103 ESP Fit Center 8527 is at 1.720263 5.730669 2.858103 ESP Fit Center 8528 is at 1.364082 5.944976 2.858103 ESP Fit Center 8529 is at 0.986819 6.119516 2.858103 ESP Fit Center 8530 is at 0.592896 6.252244 2.858103 ESP Fit Center 8531 is at 0.186932 6.341604 2.858103 ESP Fit Center 8532 is at -0.226314 6.386547 2.858103 ESP Fit Center 8533 is at -0.641996 6.386547 2.858103 ESP Fit Center 8534 is at -1.055242 6.341604 2.858103 ESP Fit Center 8535 is at -1.461206 6.252244 2.858103 ESP Fit Center 8536 is at -1.855129 6.119516 2.858103 ESP Fit Center 8537 is at -2.232392 5.944976 2.858103 ESP Fit Center 8538 is at -2.588573 5.730669 2.858103 ESP Fit Center 8539 is at -2.919495 5.479108 2.858103 ESP Fit Center 8540 is at -3.221279 5.193244 2.858103 ESP Fit Center 8541 is at -3.490386 4.876426 2.858103 ESP Fit Center 8542 is at -3.723661 4.532370 2.858103 ESP Fit Center 8543 is at -3.918371 4.165110 2.858103 ESP Fit Center 8544 is at -4.072231 3.778951 2.858103 ESP Fit Center 8545 is at -4.183437 3.378420 2.858103 ESP Fit Center 8546 is at -4.250687 2.968213 2.858103 ESP Fit Center 8547 is at -4.273192 2.553140 2.858103 ESP Fit Center 8548 is at -4.250687 2.138067 2.858103 ESP Fit Center 8549 is at -4.183437 1.727861 2.858103 ESP Fit Center 8550 is at -2.588573 -0.624389 2.858103 ESP Fit Center 8551 is at -2.232392 -0.838695 2.858103 ESP Fit Center 8552 is at -1.855129 -1.013236 2.858103 ESP Fit Center 8553 is at -1.461206 -1.145964 2.858103 ESP Fit Center 8554 is at -1.055242 -1.235323 2.858103 ESP Fit Center 8555 is at -0.641996 -1.280267 2.858103 ESP Fit Center 8556 is at -0.226314 -1.280267 2.858103 ESP Fit Center 8557 is at 0.186932 -1.235323 2.858103 ESP Fit Center 8558 is at 2.622076 0.229854 2.858103 ESP Fit Center 8559 is at 2.855351 0.573910 2.858103 ESP Fit Center 8560 is at 3.050061 0.941170 2.858103 ESP Fit Center 8561 is at 3.203921 1.327330 2.858103 ESP Fit Center 8562 is at 3.315127 1.727861 2.858103 ESP Fit Center 8563 is at 3.382377 2.138067 2.858103 ESP Fit Center 8564 is at 3.616584 2.553140 2.503773 ESP Fit Center 8565 is at 3.595115 2.969641 2.503773 ESP Fit Center 8566 is at 3.530934 3.381727 2.503773 ESP Fit Center 8567 is at 3.424723 3.785030 2.503773 ESP Fit Center 8568 is at 3.277606 4.175275 2.503773 ESP Fit Center 8569 is at 3.091144 4.548324 2.503773 ESP Fit Center 8570 is at 2.867312 4.900224 2.503773 ESP Fit Center 8571 is at 2.608485 5.227244 2.503773 ESP Fit Center 8572 is at 2.317404 5.525919 2.503773 ESP Fit Center 8573 is at 1.997157 5.793081 2.503773 ESP Fit Center 8574 is at 1.651136 6.025898 2.503773 ESP Fit Center 8575 is at 1.283012 6.221904 2.503773 ESP Fit Center 8576 is at 0.896685 6.379020 2.503773 ESP Fit Center 8577 is at 0.496250 6.495581 2.503773 ESP Fit Center 8578 is at 0.085953 6.570350 2.503773 ESP Fit Center 8579 is at -0.329857 6.602537 2.503773 ESP Fit Center 8580 is at -0.746773 6.591798 2.503773 ESP Fit Center 8581 is at -1.160375 6.538249 2.503773 ESP Fit Center 8582 is at -1.566278 6.442457 2.503773 ESP Fit Center 8583 is at -1.960182 6.305437 2.503773 ESP Fit Center 8584 is at -2.337908 6.128642 2.503773 ESP Fit Center 8585 is at -2.695455 5.913946 2.503773 ESP Fit Center 8586 is at -3.029031 5.663624 2.503773 ESP Fit Center 8587 is at -3.335101 5.380330 2.503773 ESP Fit Center 8588 is at -3.610420 5.067067 2.503773 ESP Fit Center 8589 is at -3.852070 4.727157 2.503773 ESP Fit Center 8590 is at -4.057489 4.364201 2.503773 ESP Fit Center 8591 is at -4.224500 3.982047 2.503773 ESP Fit Center 8592 is at -4.351332 3.584747 2.503773 ESP Fit Center 8593 is at -4.436642 3.176511 2.503773 ESP Fit Center 8594 is at -4.479524 2.761667 2.503773 ESP Fit Center 8595 is at -4.479524 2.344613 2.503773 ESP Fit Center 8596 is at -4.436642 1.929770 2.503773 ESP Fit Center 8597 is at 3.424723 1.321250 2.503773 ESP Fit Center 8598 is at 3.530934 1.724553 2.503773 ESP Fit Center 8599 is at 3.595115 2.136639 2.503773 ESP Fit Center 8600 is at 3.795673 2.553140 2.131892 ESP Fit Center 8601 is at 3.775305 2.967736 2.131892 ESP Fit Center 8602 is at 3.714398 3.378339 2.131892 ESP Fit Center 8603 is at 3.613538 3.780994 2.131892 ESP Fit Center 8604 is at 3.473696 4.171825 2.131892 ESP Fit Center 8605 is at 3.296220 4.547067 2.131892 ESP Fit Center 8606 is at 3.082818 4.903107 2.131892 ESP Fit Center 8607 is at 2.835546 5.236514 2.131892 ESP Fit Center 8608 is at 2.556785 5.544080 2.131892 ESP Fit Center 8609 is at 2.249219 5.822841 2.131892 ESP Fit Center 8610 is at 1.915811 6.070113 2.131892 ESP Fit Center 8611 is at 1.559772 6.283515 2.131892 ESP Fit Center 8612 is at 1.184530 6.460991 2.131892 ESP Fit Center 8613 is at 0.793699 6.600833 2.131892 ESP Fit Center 8614 is at 0.391043 6.701693 2.131892 ESP Fit Center 8615 is at -0.019559 6.762600 2.131892 ESP Fit Center 8616 is at -0.434155 6.782968 2.131892 ESP Fit Center 8617 is at -0.848751 6.762600 2.131892 ESP Fit Center 8618 is at -1.259353 6.701693 2.131892 ESP Fit Center 8619 is at -1.662009 6.600833 2.131892 ESP Fit Center 8620 is at -2.052840 6.460991 2.131892 ESP Fit Center 8621 is at -2.428082 6.283515 2.131892 ESP Fit Center 8622 is at -2.784121 6.070113 2.131892 ESP Fit Center 8623 is at -3.117529 5.822841 2.131892 ESP Fit Center 8624 is at -3.425095 5.544080 2.131892 ESP Fit Center 8625 is at -3.703856 5.236514 2.131892 ESP Fit Center 8626 is at -3.951128 4.903107 2.131892 ESP Fit Center 8627 is at -4.164530 4.547067 2.131892 ESP Fit Center 8628 is at -4.342006 4.171825 2.131892 ESP Fit Center 8629 is at -4.481848 3.780994 2.131892 ESP Fit Center 8630 is at -4.582708 3.378339 2.131892 ESP Fit Center 8631 is at -4.643615 2.967736 2.131892 ESP Fit Center 8632 is at -4.663983 2.553140 2.131892 ESP Fit Center 8633 is at -4.643615 2.138545 2.131892 ESP Fit Center 8634 is at 3.714398 1.727942 2.131892 ESP Fit Center 8635 is at 3.775305 2.138545 2.131892 ESP Fit Center 8636 is at 3.940705 2.553140 1.745455 ESP Fit Center 8637 is at 3.920895 2.968997 1.745455 ESP Fit Center 8638 is at 3.861646 3.381088 1.745455 ESP Fit Center 8639 is at 3.763492 3.785681 1.745455 ESP Fit Center 8640 is at 3.627325 4.179111 1.745455 ESP Fit Center 8641 is at 3.454376 4.557817 1.745455 ESP Fit Center 8642 is at 3.246211 4.918368 1.745455 ESP Fit Center 8643 is at 3.004717 5.257499 1.745455 ESP Fit Center 8644 is at 2.732080 5.572139 1.745455 ESP Fit Center 8645 is at 2.430769 5.859439 1.745455 ESP Fit Center 8646 is at 2.103513 6.116796 1.745455 ESP Fit Center 8647 is at 1.753275 6.341880 1.745455 ESP Fit Center 8648 is at 1.383228 6.532653 1.745455 ESP Fit Center 8649 is at 0.996722 6.687386 1.745455 ESP Fit Center 8650 is at 0.597257 6.804680 1.745455 ESP Fit Center 8651 is at 0.188452 6.883470 1.745455 ESP Fit Center 8652 is at -0.225991 6.923045 1.745455 ESP Fit Center 8653 is at -0.642319 6.923045 1.745455 ESP Fit Center 8654 is at -1.056763 6.883470 1.745455 ESP Fit Center 8655 is at -1.465567 6.804680 1.745455 ESP Fit Center 8656 is at -1.865032 6.687386 1.745455 ESP Fit Center 8657 is at -2.251538 6.532653 1.745455 ESP Fit Center 8658 is at -2.621585 6.341880 1.745455 ESP Fit Center 8659 is at -2.971823 6.116796 1.745455 ESP Fit Center 8660 is at -3.299079 5.859439 1.745455 ESP Fit Center 8661 is at -3.600390 5.572139 1.745455 ESP Fit Center 8662 is at -3.873027 5.257499 1.745455 ESP Fit Center 8663 is at -4.114521 4.918368 1.745455 ESP Fit Center 8664 is at -4.322686 4.557817 1.745455 ESP Fit Center 8665 is at -4.495635 4.179111 1.745455 ESP Fit Center 8666 is at -4.631802 3.785681 1.745455 ESP Fit Center 8667 is at -4.729956 3.381088 1.745455 ESP Fit Center 8668 is at -4.789205 2.968997 1.745455 ESP Fit Center 8669 is at -4.809015 2.553140 1.745455 ESP Fit Center 8670 is at -4.789205 2.137283 1.745455 ESP Fit Center 8671 is at 3.920895 2.137283 1.745455 ESP Fit Center 8672 is at 4.050513 2.553140 1.347573 ESP Fit Center 8673 is at 4.031383 2.966933 1.347573 ESP Fit Center 8674 is at 3.974153 3.377196 1.347573 ESP Fit Center 8675 is at 3.879314 3.780428 1.347573 ESP Fit Center 8676 is at 3.747674 4.173189 1.347573 ESP Fit Center 8677 is at 3.580356 4.552129 1.347573 ESP Fit Center 8678 is at 3.378787 4.914014 1.347573 ESP Fit Center 8679 is at 3.144688 5.255757 1.347573 ESP Fit Center 8680 is at 2.880055 5.574442 1.347573 ESP Fit Center 8681 is at 2.587147 5.867350 1.347573 ESP Fit Center 8682 is at 2.268461 6.131983 1.347573 ESP Fit Center 8683 is at 1.926719 6.366082 1.347573 ESP Fit Center 8684 is at 1.564834 6.567651 1.347573 ESP Fit Center 8685 is at 1.185894 6.734969 1.347573 ESP Fit Center 8686 is at 0.793133 6.866609 1.347573 ESP Fit Center 8687 is at 0.389901 6.961449 1.347573 ESP Fit Center 8688 is at -0.020362 7.018678 1.347573 ESP Fit Center 8689 is at -0.434155 7.037809 1.347573 ESP Fit Center 8690 is at -0.847948 7.018678 1.347573 ESP Fit Center 8691 is at -1.258211 6.961449 1.347573 ESP Fit Center 8692 is at -1.661443 6.866609 1.347573 ESP Fit Center 8693 is at -2.054204 6.734969 1.347573 ESP Fit Center 8694 is at -2.433144 6.567651 1.347573 ESP Fit Center 8695 is at -2.795029 6.366082 1.347573 ESP Fit Center 8696 is at -3.136772 6.131983 1.347573 ESP Fit Center 8697 is at -3.455457 5.867350 1.347573 ESP Fit Center 8698 is at -3.748365 5.574442 1.347573 ESP Fit Center 8699 is at -4.012998 5.255757 1.347573 ESP Fit Center 8700 is at -4.247097 4.914014 1.347573 ESP Fit Center 8701 is at -4.448666 4.552129 1.347573 ESP Fit Center 8702 is at -4.615984 4.173189 1.347573 ESP Fit Center 8703 is at -4.747624 3.780428 1.347573 ESP Fit Center 8704 is at -4.842463 3.377196 1.347573 ESP Fit Center 8705 is at -4.899693 2.966933 1.347573 ESP Fit Center 8706 is at -4.918823 2.553140 1.347573 ESP Fit Center 8707 is at 4.105328 2.967655 0.941450 ESP Fit Center 8708 is at 4.048826 3.378735 0.941450 ESP Fit Center 8709 is at 3.955177 3.782973 0.941450 ESP Fit Center 8710 is at 3.825157 4.177021 0.941450 ESP Fit Center 8711 is at 3.659842 4.557613 0.941450 ESP Fit Center 8712 is at 3.460604 4.921595 0.941450 ESP Fit Center 8713 is at 3.229092 5.265952 0.941450 ESP Fit Center 8714 is at 2.967225 5.587829 0.941450 ESP Fit Center 8715 is at 2.677174 5.884560 0.941450 ESP Fit Center 8716 is at 2.361341 6.153686 0.941450 ESP Fit Center 8717 is at 2.022344 6.392976 0.941450 ESP Fit Center 8718 is at 1.662991 6.600449 0.941450 ESP Fit Center 8719 is at 1.286261 6.774384 0.941450 ESP Fit Center 8720 is at 0.895275 6.913340 0.941450 ESP Fit Center 8721 is at 0.493273 7.016167 0.941450 ESP Fit Center 8722 is at 0.083585 7.082011 0.941450 ESP Fit Center 8723 is at -0.330392 7.110328 0.941450 ESP Fit Center 8724 is at -0.745229 7.100882 0.941450 ESP Fit Center 8725 is at -1.157489 7.053753 0.941450 ESP Fit Center 8726 is at -1.563754 6.969330 0.941450 ESP Fit Center 8727 is at -1.960660 6.848313 0.941450 ESP Fit Center 8728 is at -2.344916 6.691705 0.941450 ESP Fit Center 8729 is at -2.713339 6.500803 0.941450 ESP Fit Center 8730 is at -3.062877 6.277190 0.941450 ESP Fit Center 8731 is at -3.390631 6.022719 0.941450 ESP Fit Center 8732 is at -3.693888 5.739497 0.941450 ESP Fit Center 8733 is at -3.970133 5.429872 0.941450 ESP Fit Center 8734 is at -4.217078 5.096409 0.941450 ESP Fit Center 8735 is at -4.432677 4.741873 0.941450 ESP Fit Center 8736 is at -4.615142 4.369199 0.941450 ESP Fit Center 8737 is at -4.762963 3.981478 0.941450 ESP Fit Center 8738 is at -4.874914 3.581920 0.941450 ESP Fit Center 8739 is at -4.950067 3.173838 0.941450 ESP Fit Center 8740 is at -4.987800 2.760612 0.941450 ESP Fit Center 8741 is at 4.085214 3.385436 0.530355 ESP Fit Center 8742 is at 3.990804 3.792956 0.530355 ESP Fit Center 8743 is at 3.859729 4.190202 0.530355 ESP Fit Center 8744 is at 3.693072 4.573883 0.530355 ESP Fit Center 8745 is at 3.492217 4.940820 0.530355 ESP Fit Center 8746 is at 3.258826 5.287971 0.530355 ESP Fit Center 8747 is at 2.994834 5.612461 0.530355 ESP Fit Center 8748 is at 2.702428 5.911600 0.530355 ESP Fit Center 8749 is at 2.384031 6.182911 0.530355 ESP Fit Center 8750 is at 2.042283 6.424143 0.530355 ESP Fit Center 8751 is at 1.680013 6.633300 0.530355 ESP Fit Center 8752 is at 1.300225 6.808646 0.530355 ESP Fit Center 8753 is at 0.906065 6.948731 0.530355 ESP Fit Center 8754 is at 0.500800 7.052392 0.530355 ESP Fit Center 8755 is at 0.087788 7.118771 0.530355 ESP Fit Center 8756 is at -0.329550 7.147318 0.530355 ESP Fit Center 8757 is at -0.747754 7.137795 0.530355 ESP Fit Center 8758 is at -1.163360 7.090283 0.530355 ESP Fit Center 8759 is at -1.572923 7.005175 0.530355 ESP Fit Center 8760 is at -1.973050 6.883176 0.530355 ESP Fit Center 8761 is at -2.360425 6.725297 0.530355 ESP Fit Center 8762 is at -2.731839 6.532846 0.530355 ESP Fit Center 8763 is at -3.084213 6.307418 0.530355 ESP Fit Center 8764 is at -3.414628 6.050880 0.530355 ESP Fit Center 8765 is at -3.720346 5.765360 0.530355 ESP Fit Center 8766 is at -3.998834 5.453222 0.530355 ESP Fit Center 8767 is at -4.247783 5.117052 0.530355 ESP Fit Center 8768 is at -4.465132 4.759638 0.530355 ESP Fit Center 8769 is at -4.649079 4.383940 0.530355 ESP Fit Center 8770 is at -4.798099 3.993071 0.530355 ESP Fit Center 8771 is at -4.910958 3.590271 0.530355 ESP Fit Center 8772 is at -4.986722 3.178876 0.530355 ESP Fit Center 8773 is at 4.085214 3.385436 0.117599 ESP Fit Center 8774 is at 3.990804 3.792956 0.117599 ESP Fit Center 8775 is at 3.859729 4.190202 0.117599 ESP Fit Center 8776 is at 3.693072 4.573883 0.117599 ESP Fit Center 8777 is at 3.492217 4.940820 0.117599 ESP Fit Center 8778 is at 3.258826 5.287971 0.117599 ESP Fit Center 8779 is at 2.994834 5.612461 0.117599 ESP Fit Center 8780 is at 2.702428 5.911600 0.117599 ESP Fit Center 8781 is at 2.384031 6.182911 0.117599 ESP Fit Center 8782 is at 2.042283 6.424143 0.117599 ESP Fit Center 8783 is at 1.680013 6.633300 0.117599 ESP Fit Center 8784 is at 1.300225 6.808646 0.117599 ESP Fit Center 8785 is at 0.906065 6.948731 0.117599 ESP Fit Center 8786 is at 0.500800 7.052392 0.117599 ESP Fit Center 8787 is at 0.087788 7.118771 0.117599 ESP Fit Center 8788 is at -0.329550 7.147318 0.117599 ESP Fit Center 8789 is at -0.747754 7.137795 0.117599 ESP Fit Center 8790 is at -1.163360 7.090283 0.117599 ESP Fit Center 8791 is at -1.572923 7.005175 0.117599 ESP Fit Center 8792 is at -1.973050 6.883176 0.117599 ESP Fit Center 8793 is at -2.360425 6.725297 0.117599 ESP Fit Center 8794 is at -2.731839 6.532846 0.117599 ESP Fit Center 8795 is at -3.084213 6.307418 0.117599 ESP Fit Center 8796 is at -3.414628 6.050880 0.117599 ESP Fit Center 8797 is at -3.720346 5.765360 0.117599 ESP Fit Center 8798 is at -3.998834 5.453222 0.117599 ESP Fit Center 8799 is at -4.247783 5.117052 0.117599 ESP Fit Center 8800 is at -4.465132 4.759638 0.117599 ESP Fit Center 8801 is at -4.649079 4.383940 0.117599 ESP Fit Center 8802 is at -4.798099 3.993071 0.117599 ESP Fit Center 8803 is at -4.910958 3.590271 0.117599 ESP Fit Center 8804 is at -4.986722 3.178876 0.117599 ESP Fit Center 8805 is at 3.955177 3.782973 -0.293496 ESP Fit Center 8806 is at 3.825157 4.177021 -0.293496 ESP Fit Center 8807 is at 3.659842 4.557613 -0.293496 ESP Fit Center 8808 is at 3.460604 4.921595 -0.293496 ESP Fit Center 8809 is at 3.229092 5.265952 -0.293496 ESP Fit Center 8810 is at 2.967225 5.587829 -0.293496 ESP Fit Center 8811 is at 2.677174 5.884560 -0.293496 ESP Fit Center 8812 is at 2.361341 6.153686 -0.293496 ESP Fit Center 8813 is at 2.022344 6.392976 -0.293496 ESP Fit Center 8814 is at 1.662991 6.600449 -0.293496 ESP Fit Center 8815 is at 1.286261 6.774384 -0.293496 ESP Fit Center 8816 is at 0.895275 6.913340 -0.293496 ESP Fit Center 8817 is at 0.493273 7.016167 -0.293496 ESP Fit Center 8818 is at 0.083585 7.082011 -0.293496 ESP Fit Center 8819 is at -0.330392 7.110328 -0.293496 ESP Fit Center 8820 is at -0.745229 7.100882 -0.293496 ESP Fit Center 8821 is at -1.157489 7.053753 -0.293496 ESP Fit Center 8822 is at -1.563754 6.969330 -0.293496 ESP Fit Center 8823 is at -1.960660 6.848313 -0.293496 ESP Fit Center 8824 is at -2.344916 6.691705 -0.293496 ESP Fit Center 8825 is at -2.713339 6.500803 -0.293496 ESP Fit Center 8826 is at -3.062877 6.277190 -0.293496 ESP Fit Center 8827 is at -3.390631 6.022719 -0.293496 ESP Fit Center 8828 is at -3.693888 5.739497 -0.293496 ESP Fit Center 8829 is at -3.970133 5.429872 -0.293496 ESP Fit Center 8830 is at -4.217078 5.096409 -0.293496 ESP Fit Center 8831 is at -4.432677 4.741873 -0.293496 ESP Fit Center 8832 is at -4.615142 4.369199 -0.293496 ESP Fit Center 8833 is at -4.762963 3.981478 -0.293496 ESP Fit Center 8834 is at -4.874914 3.581920 -0.293496 ESP Fit Center 8835 is at 3.879314 3.780428 -0.699620 ESP Fit Center 8836 is at 3.747674 4.173189 -0.699620 ESP Fit Center 8837 is at 3.580356 4.552129 -0.699620 ESP Fit Center 8838 is at 3.378787 4.914014 -0.699620 ESP Fit Center 8839 is at 3.144688 5.255757 -0.699620 ESP Fit Center 8840 is at 2.880055 5.574442 -0.699620 ESP Fit Center 8841 is at 2.587147 5.867350 -0.699620 ESP Fit Center 8842 is at 2.268461 6.131983 -0.699620 ESP Fit Center 8843 is at 1.926719 6.366082 -0.699620 ESP Fit Center 8844 is at 1.564834 6.567651 -0.699620 ESP Fit Center 8845 is at 1.185894 6.734969 -0.699620 ESP Fit Center 8846 is at 0.793133 6.866609 -0.699620 ESP Fit Center 8847 is at 0.389901 6.961449 -0.699620 ESP Fit Center 8848 is at -0.020362 7.018678 -0.699620 ESP Fit Center 8849 is at -0.434155 7.037809 -0.699620 ESP Fit Center 8850 is at -0.847948 7.018678 -0.699620 ESP Fit Center 8851 is at -1.258211 6.961449 -0.699620 ESP Fit Center 8852 is at -1.661443 6.866609 -0.699620 ESP Fit Center 8853 is at -2.054204 6.734969 -0.699620 ESP Fit Center 8854 is at -2.433144 6.567651 -0.699620 ESP Fit Center 8855 is at -2.795029 6.366082 -0.699620 ESP Fit Center 8856 is at -3.136772 6.131983 -0.699620 ESP Fit Center 8857 is at -3.455457 5.867350 -0.699620 ESP Fit Center 8858 is at -3.748365 5.574442 -0.699620 ESP Fit Center 8859 is at -4.012998 5.255757 -0.699620 ESP Fit Center 8860 is at -4.247097 4.914014 -0.699620 ESP Fit Center 8861 is at -4.448666 4.552129 -0.699620 ESP Fit Center 8862 is at -4.615984 4.173189 -0.699620 ESP Fit Center 8863 is at -4.747624 3.780428 -0.699620 ESP Fit Center 8864 is at -4.842463 3.377196 -0.699620 ESP Fit Center 8865 is at 3.763492 3.785681 -1.097501 ESP Fit Center 8866 is at 3.627325 4.179111 -1.097501 ESP Fit Center 8867 is at 3.454376 4.557817 -1.097501 ESP Fit Center 8868 is at 3.246211 4.918368 -1.097501 ESP Fit Center 8869 is at 3.004717 5.257499 -1.097501 ESP Fit Center 8870 is at 2.732080 5.572139 -1.097501 ESP Fit Center 8871 is at 2.430769 5.859439 -1.097501 ESP Fit Center 8872 is at 2.103513 6.116796 -1.097501 ESP Fit Center 8873 is at 1.753275 6.341880 -1.097501 ESP Fit Center 8874 is at 1.383228 6.532653 -1.097501 ESP Fit Center 8875 is at 0.996722 6.687386 -1.097501 ESP Fit Center 8876 is at 0.597257 6.804680 -1.097501 ESP Fit Center 8877 is at 0.188452 6.883470 -1.097501 ESP Fit Center 8878 is at -0.225991 6.923045 -1.097501 ESP Fit Center 8879 is at -0.642319 6.923045 -1.097501 ESP Fit Center 8880 is at -1.056763 6.883470 -1.097501 ESP Fit Center 8881 is at -1.465567 6.804680 -1.097501 ESP Fit Center 8882 is at -1.865032 6.687386 -1.097501 ESP Fit Center 8883 is at -2.251538 6.532653 -1.097501 ESP Fit Center 8884 is at -2.621585 6.341880 -1.097501 ESP Fit Center 8885 is at -2.971823 6.116796 -1.097501 ESP Fit Center 8886 is at -3.299079 5.859439 -1.097501 ESP Fit Center 8887 is at -3.600390 5.572139 -1.097501 ESP Fit Center 8888 is at -3.873027 5.257499 -1.097501 ESP Fit Center 8889 is at -4.114521 4.918368 -1.097501 ESP Fit Center 8890 is at -4.322686 4.557817 -1.097501 ESP Fit Center 8891 is at -4.495635 4.179111 -1.097501 ESP Fit Center 8892 is at -4.631802 3.785681 -1.097501 ESP Fit Center 8893 is at -4.729956 3.381088 -1.097501 ESP Fit Center 8894 is at 3.613538 3.780994 -1.483938 ESP Fit Center 8895 is at 3.473696 4.171825 -1.483938 ESP Fit Center 8896 is at 3.296220 4.547067 -1.483938 ESP Fit Center 8897 is at 3.082818 4.903107 -1.483938 ESP Fit Center 8898 is at 2.835546 5.236514 -1.483938 ESP Fit Center 8899 is at 2.556785 5.544080 -1.483938 ESP Fit Center 8900 is at 2.249219 5.822841 -1.483938 ESP Fit Center 8901 is at 1.915811 6.070113 -1.483938 ESP Fit Center 8902 is at 1.559772 6.283515 -1.483938 ESP Fit Center 8903 is at 1.184530 6.460991 -1.483938 ESP Fit Center 8904 is at 0.793699 6.600833 -1.483938 ESP Fit Center 8905 is at 0.391043 6.701693 -1.483938 ESP Fit Center 8906 is at -0.019559 6.762600 -1.483938 ESP Fit Center 8907 is at -0.434155 6.782968 -1.483938 ESP Fit Center 8908 is at -0.848751 6.762600 -1.483938 ESP Fit Center 8909 is at -1.259353 6.701693 -1.483938 ESP Fit Center 8910 is at -1.662009 6.600833 -1.483938 ESP Fit Center 8911 is at -2.052840 6.460991 -1.483938 ESP Fit Center 8912 is at -2.428082 6.283515 -1.483938 ESP Fit Center 8913 is at -2.784121 6.070113 -1.483938 ESP Fit Center 8914 is at -3.117529 5.822841 -1.483938 ESP Fit Center 8915 is 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Fit Center 8952 is at 3.050061 4.165110 -2.210149 ESP Fit Center 8953 is at 2.855351 4.532370 -2.210149 ESP Fit Center 8954 is at 2.622076 4.876426 -2.210149 ESP Fit Center 8955 is at 2.352969 5.193244 -2.210149 ESP Fit Center 8956 is at 2.051185 5.479108 -2.210149 ESP Fit Center 8957 is at 1.720263 5.730669 -2.210149 ESP Fit Center 8958 is at 1.364082 5.944976 -2.210149 ESP Fit Center 8959 is at 0.986819 6.119516 -2.210149 ESP Fit Center 8960 is at 0.592896 6.252244 -2.210149 ESP Fit Center 8961 is at 0.186932 6.341604 -2.210149 ESP Fit Center 8962 is at -0.226314 6.386547 -2.210149 ESP Fit Center 8963 is at -0.641996 6.386547 -2.210149 ESP Fit Center 8964 is at -1.055242 6.341604 -2.210149 ESP Fit Center 8965 is at -1.461206 6.252244 -2.210149 ESP Fit Center 8966 is at -1.855129 6.119516 -2.210149 ESP Fit Center 8967 is at -2.232392 5.944976 -2.210149 ESP Fit Center 8968 is at -2.588573 5.730669 -2.210149 ESP Fit Center 8969 is at -2.919495 5.479108 -2.210149 ESP Fit Center 8970 is 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Fit Center 9007 is at 2.479439 4.154902 -2.854911 ESP Fit Center 9008 is at 2.255710 4.507442 -2.854911 ESP Fit Center 9009 is at 1.989561 4.829161 -2.854911 ESP Fit Center 9010 is at 1.685188 5.114986 -2.854911 ESP Fit Center 9011 is at 1.347392 5.360409 -2.854911 ESP Fit Center 9012 is at 0.981500 5.561560 -2.854911 ESP Fit Center 9013 is at 0.593282 5.715266 -2.854911 ESP Fit Center 9014 is at 0.188861 5.819104 -2.854911 ESP Fit Center 9015 is at -0.225386 5.871436 -2.854911 ESP Fit Center 9016 is at -0.642924 5.871436 -2.854911 ESP Fit Center 9017 is at -1.057171 5.819104 -2.854911 ESP Fit Center 9018 is at -1.461592 5.715266 -2.854911 ESP Fit Center 9019 is at -1.849810 5.561560 -2.854911 ESP Fit Center 9020 is at -2.215702 5.360409 -2.854911 ESP Fit Center 9021 is at -2.553498 5.114986 -2.854911 ESP Fit Center 9022 is at -2.857871 4.829161 -2.854911 ESP Fit Center 9023 is at -3.124020 4.507442 -2.854911 ESP Fit Center 9024 is at -3.347749 4.154902 -2.854911 ESP Fit Center 9025 is 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ESP Fit Center 9062 is at -1.447674 -0.298630 -3.140152 ESP Fit Center 9063 is at -1.049918 -0.410076 -3.140152 ESP Fit Center 9064 is at -0.640692 -0.466322 -3.140152 ESP Fit Center 9065 is at -0.227618 -0.466322 -3.140152 ESP Fit Center 9066 is at 0.181608 -0.410076 -3.140152 ESP Fit Center 9067 is at 0.579364 -0.298630 -3.140152 ESP Fit Center 9068 is at 0.958240 -0.134061 -3.140152 ESP Fit Center 9069 is at 1.311178 0.080566 -3.140152 ESP Fit Center 9070 is at 2.269657 2.553140 -3.397501 ESP Fit Center 9071 is at 2.237970 2.965875 -3.397501 ESP Fit Center 9072 is at 2.143650 3.368936 -3.397501 ESP Fit Center 9073 is at 1.988908 3.752875 -3.397501 ESP Fit Center 9074 is at 1.777372 4.108694 -3.397501 ESP Fit Center 9075 is at 1.514000 4.428051 -3.397501 ESP Fit Center 9076 is at 1.204965 4.703463 -3.397501 ESP Fit Center 9077 is at 0.857510 4.928472 -3.397501 ESP Fit Center 9078 is at 0.479779 5.097806 -3.397501 ESP Fit Center 9079 is at 0.080627 5.207495 -3.397501 ESP Fit Center 9080 is at -0.330592 5.254968 -3.397501 ESP Fit Center 9081 is at -0.744237 5.239113 -3.397501 ESP Fit Center 9082 is at -1.150615 5.160300 -3.397501 ESP Fit Center 9083 is at -1.540200 5.020379 -3.397501 ESP Fit Center 9084 is at -1.903860 4.822627 -3.397501 ESP Fit Center 9085 is at -2.233071 4.571680 -3.397501 ESP Fit Center 9086 is at -2.520117 4.273420 -3.397501 ESP Fit Center 9087 is at -2.758270 3.934839 -3.397501 ESP Fit Center 9088 is at -2.941947 3.563871 -3.397501 ESP Fit Center 9089 is at -3.066845 3.169213 -3.397501 ESP Fit Center 9090 is at -3.130034 2.760115 -3.397501 ESP Fit Center 9091 is at -3.130034 2.346165 -3.397501 ESP Fit Center 9092 is at -3.066845 1.937067 -3.397501 ESP Fit Center 9093 is at -2.941947 1.542409 -3.397501 ESP Fit Center 9094 is at -2.758270 1.171442 -3.397501 ESP Fit Center 9095 is at -2.520117 0.832860 -3.397501 ESP Fit Center 9096 is at -2.233071 0.534600 -3.397501 ESP Fit Center 9097 is at -1.903860 0.283654 -3.397501 ESP Fit Center 9098 is at -1.540200 0.085902 -3.397501 ESP Fit Center 9099 is at -1.150615 -0.054020 -3.397501 ESP Fit Center 9100 is at -0.744237 -0.132832 -3.397501 ESP Fit Center 9101 is at -0.330592 -0.148688 -3.397501 ESP Fit Center 9102 is at 0.080627 -0.101215 -3.397501 ESP Fit Center 9103 is at 0.479779 0.008474 -3.397501 ESP Fit Center 9104 is at 0.857510 0.177808 -3.397501 ESP Fit Center 9105 is at 1.204965 0.402818 -3.397501 ESP Fit Center 9106 is at 1.514000 0.678229 -3.397501 ESP Fit Center 9107 is at 2.237970 2.140405 -3.397501 ESP Fit Center 9108 is at 1.925182 2.553140 -3.624888 ESP Fit Center 9109 is at 1.887266 2.974416 -3.624888 ESP Fit Center 9110 is at 1.774738 3.382152 -3.624888 ESP Fit Center 9111 is at 1.591215 3.763242 -3.624888 ESP Fit Center 9112 is at 1.342594 4.105439 -3.624888 ESP Fit Center 9113 is at 1.036867 4.397744 -3.624888 ESP Fit Center 9114 is at 0.683861 4.630761 -3.624888 ESP Fit Center 9115 is at 0.294920 4.797003 -3.624888 ESP Fit Center 9116 is at -0.117454 4.891124 -3.624888 ESP Fit Center 9117 is at -0.540006 4.910101 -3.624888 ESP Fit Center 9118 is at -0.959157 4.853323 -3.624888 ESP Fit Center 9119 is at -1.361433 4.722616 -3.624888 ESP Fit Center 9120 is at -1.733906 4.522179 -3.624888 ESP Fit Center 9121 is at -2.064604 4.258457 -3.624888 ESP Fit Center 9122 is at -2.342898 3.939923 -3.624888 ESP Fit Center 9123 is at -2.559844 3.576818 -3.624888 ESP Fit Center 9124 is at -2.708468 3.180811 -3.624888 ESP Fit Center 9125 is at -2.783994 2.764629 -3.624888 ESP Fit Center 9126 is at -2.783994 2.341651 -3.624888 ESP Fit Center 9127 is at -2.708468 1.925470 -3.624888 ESP Fit Center 9128 is at -2.559844 1.529462 -3.624888 ESP Fit Center 9129 is at -2.342898 1.166357 -3.624888 ESP Fit Center 9130 is at -2.064604 0.847824 -3.624888 ESP Fit Center 9131 is at -1.733906 0.584101 -3.624888 ESP Fit Center 9132 is at -1.361433 0.383665 -3.624888 ESP Fit Center 9133 is at -0.959157 0.252957 -3.624888 ESP Fit Center 9134 is at -0.540006 0.196179 -3.624888 ESP Fit Center 9135 is at -0.117454 0.215156 -3.624888 ESP Fit Center 9136 is at 0.294920 0.309278 -3.624888 ESP Fit Center 9137 is at 0.683861 0.475519 -3.624888 ESP Fit Center 9138 is at 1.036867 0.708536 -3.624888 ESP Fit Center 9139 is at 1.342594 1.000841 -3.624888 ESP Fit Center 9140 is at 1.591215 1.343038 -3.624888 ESP Fit Center 9141 is at 1.774738 1.724129 -3.624888 ESP Fit Center 9142 is at 1.887266 2.131864 -3.624888 ESP Fit Center 9143 is at 1.561710 2.553140 -3.820480 ESP Fit Center 9144 is at 1.518096 2.968104 -3.820480 ESP Fit Center 9145 is at 1.389159 3.364932 -3.820480 ESP Fit Center 9146 is at 1.180534 3.726280 -3.820480 ESP Fit Center 9147 is at 0.901339 4.036357 -3.820480 ESP Fit Center 9148 is at 0.563778 4.281610 -3.820480 ESP Fit Center 9149 is at 0.182601 4.451321 -3.820480 ESP Fit Center 9150 is at -0.225530 4.538072 -3.820480 ESP Fit Center 9151 is at -0.642780 4.538072 -3.820480 ESP Fit Center 9152 is at -1.050911 4.451321 -3.820480 ESP Fit Center 9153 is at -1.432088 4.281610 -3.820480 ESP Fit Center 9154 is at -1.769650 4.036357 -3.820480 ESP Fit Center 9155 is at -2.048844 3.726280 -3.820480 ESP Fit Center 9156 is at -2.257469 3.364932 -3.820480 ESP Fit Center 9157 is at -2.386406 2.968104 -3.820480 ESP Fit Center 9158 is at -2.430020 2.553140 -3.820480 ESP Fit Center 9159 is at -2.386406 2.138176 -3.820480 ESP Fit Center 9160 is at -2.257469 1.741349 -3.820480 ESP Fit Center 9161 is at -2.048844 1.380000 -3.820480 ESP Fit Center 9162 is at -1.769650 1.069923 -3.820480 ESP Fit Center 9163 is at -1.432088 0.824670 -3.820480 ESP Fit Center 9164 is at -1.050911 0.654960 -3.820480 ESP Fit Center 9165 is at -0.642780 0.568209 -3.820480 ESP Fit Center 9166 is at -0.225530 0.568209 -3.820480 ESP Fit Center 9167 is at 0.182601 0.654960 -3.820480 ESP Fit Center 9168 is at 0.563778 0.824670 -3.820480 ESP Fit Center 9169 is at 0.901339 1.069923 -3.820480 ESP Fit Center 9170 is at 1.180534 1.380000 -3.820480 ESP Fit Center 9171 is at 1.389159 1.741349 -3.820480 ESP Fit Center 9172 is at 1.518096 2.138176 -3.820480 ESP Fit Center 9173 is at 1.182169 2.553140 -3.982704 ESP Fit Center 9174 is at 1.127094 2.971476 -3.982704 ESP Fit Center 9175 is at 0.965623 3.361302 -3.982704 ESP Fit Center 9176 is at 0.708759 3.696054 -3.982704 ESP Fit Center 9177 is at 0.374007 3.952918 -3.982704 ESP Fit Center 9178 is at -0.015820 4.114389 -3.982704 ESP Fit Center 9179 is at -0.434155 4.169464 -3.982704 ESP Fit Center 9180 is at -0.852490 4.114389 -3.982704 ESP Fit Center 9181 is at -1.242317 3.952918 -3.982704 ESP Fit Center 9182 is at -1.577069 3.696054 -3.982704 ESP Fit Center 9183 is at -1.833933 3.361302 -3.982704 ESP Fit Center 9184 is at -1.995404 2.971476 -3.982704 ESP Fit Center 9185 is at -2.050479 2.553140 -3.982704 ESP Fit Center 9186 is at -1.995404 2.134805 -3.982704 ESP Fit Center 9187 is at -1.833933 1.744978 -3.982704 ESP Fit Center 9188 is at -1.577069 1.410226 -3.982704 ESP Fit Center 9189 is at -1.242317 1.153362 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Center 9208 is at -1.371617 1.766516 -4.110252 ESP Fit Center 9209 is at -1.046040 1.493325 -4.110252 ESP Fit Center 9210 is at -0.646660 1.347962 -4.110252 ESP Fit Center 9211 is at -0.221650 1.347962 -4.110252 ESP Fit Center 9212 is at 0.177730 1.493325 -4.110252 ESP Fit Center 9213 is at 0.503307 1.766516 -4.110252 ESP Fit Center 9214 is at 0.715812 2.134586 -4.110252 ESP Fit Center 9215 is at 0.387207 2.553140 -4.202099 ESP Fit Center 9216 is at 0.277165 2.963821 -4.202099 ESP Fit Center 9217 is at -0.023474 3.264460 -4.202099 ESP Fit Center 9218 is at -0.434155 3.374502 -4.202099 ESP Fit Center 9219 is at -0.844836 3.264460 -4.202099 ESP Fit Center 9220 is at -1.145475 2.963821 -4.202099 ESP Fit Center 9221 is at -1.255517 2.553140 -4.202099 ESP Fit Center 9222 is at -1.145475 2.142459 -4.202099 ESP Fit Center 9223 is at -0.844836 1.841820 -4.202099 ESP Fit Center 9224 is at -0.434155 1.731778 -4.202099 ESP Fit Center 9225 is at -0.023474 1.841820 -4.202099 ESP Fit Center 9226 is 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ESP Fit Center 9263 is at -6.061722 -0.791646 3.802830 ESP Fit Center 9264 is at -4.014838 -1.152567 3.802830 ESP Fit Center 9265 is at -3.806460 -0.791646 3.802830 ESP Fit Center 9266 is at -3.391401 -0.381222 3.562876 ESP Fit Center 9267 is at -3.448608 0.034991 3.562876 ESP Fit Center 9268 is at -3.615986 0.420335 3.562876 ESP Fit Center 9269 is at -3.881123 0.746232 3.562876 ESP Fit Center 9270 is at -4.224353 0.988510 3.562876 ESP Fit Center 9271 is at -4.620221 1.129202 3.562876 ESP Fit Center 9272 is at -5.039368 1.157872 3.562876 ESP Fit Center 9273 is at -5.450706 1.072395 3.562876 ESP Fit Center 9274 is at -5.823730 0.879110 3.562876 ESP Fit Center 9275 is at -6.130773 0.592352 3.562876 ESP Fit Center 9276 is at -6.349064 0.233388 3.562876 ESP Fit Center 9277 is at -6.462413 -0.171159 3.562876 ESP Fit Center 9278 is at -3.448608 -0.797434 3.562876 ESP Fit Center 9279 is at -3.095584 -0.381222 3.267060 ESP Fit Center 9280 is at -3.145141 0.042767 3.267060 ESP Fit Center 9281 is at -3.291141 0.443899 3.267060 ESP Fit Center 9282 is at -3.525713 0.800548 3.267060 ESP Fit Center 9283 is at -3.836211 1.093487 3.267060 ESP Fit Center 9284 is at -4.205896 1.306925 3.267060 ESP Fit Center 9285 is at -4.614838 1.429354 3.267060 ESP Fit Center 9286 is at -5.040991 1.454175 3.267060 ESP Fit Center 9287 is at -5.461381 1.380048 3.267060 ESP Fit Center 9288 is at -5.853344 1.210972 3.267060 ESP Fit Center 9289 is at -6.195751 0.956060 3.267060 ESP Fit Center 9290 is at -6.470141 0.629054 3.267060 ESP Fit Center 9291 is at -6.661722 0.247585 3.267060 ESP Fit Center 9292 is at -3.145141 -0.805210 3.267060 ESP Fit Center 9293 is at -2.855630 -0.381222 2.924369 ESP Fit Center 9294 is at -4.212231 1.567860 2.924369 ESP Fit Center 9295 is at -4.619354 1.673271 2.924369 ESP Fit Center 9296 is at -5.039363 1.694572 2.924369 ESP Fit Center 9297 is at -5.455062 1.630889 2.924369 ESP Fit Center 9298 is at -5.849433 1.484830 2.924369 ESP Fit Center 9299 is at -6.206329 1.262375 2.924369 ESP Fit Center 9300 is at -6.511140 0.972631 2.924369 ESP Fit Center 9301 is at -6.751386 0.627460 2.924369 ESP Fit Center 9302 is at -6.917232 0.240993 2.924369 ESP Fit Center 9303 is at -4.402393 1.810468 2.545218 ESP Fit Center 9304 is at -4.826781 1.871486 2.545218 ESP Fit Center 9305 is at -5.255048 1.851085 2.545218 ESP Fit Center 9306 is at -5.671715 1.750003 2.545218 ESP Fit Center 9307 is at -6.061722 1.571893 2.545218 ESP Fit Center 9308 is at -6.410974 1.323192 2.545218 ESP Fit Center 9309 is at -6.706847 1.012889 2.545218 ESP Fit Center 9310 is at -6.938648 0.652199 2.545218 ESP Fit Center 9311 is at -5.040131 1.979937 2.141125 ESP Fit Center 9312 is at -5.460028 1.923058 2.141125 ESP Fit Center 9313 is at -5.863021 1.792118 2.141125 ESP Fit Center 9314 is at -6.236157 1.591324 2.141125 ESP Fit Center 9315 is at -6.567444 1.327132 2.141125 ESP Fit Center 9316 is at -6.846234 1.008031 2.141125 ESP Fit Center 9317 is at -4.934091 2.018778 1.724369 ESP Fit Center 9318 is at -5.350847 1.982317 1.724369 ESP Fit Center 9319 is at -5.754939 1.874041 1.724369 ESP Fit Center 9320 is at -6.134091 1.697239 1.724369 ESP Fit Center 9321 is at -6.476781 1.457285 1.724369 ESP Fit Center 9322 is at -7.133098 1.394791 0.923764 ESP Fit Center 9323 is at -7.351389 1.035827 0.923764 ESP Fit Center 9324 is at -7.198076 1.758499 0.627948 ESP Fit Center 9325 is at -7.472466 1.431494 0.627948 ESP Fit Center 9326 is at -7.664047 1.050024 0.627948 ESP Fit Center 9327 is at -7.762491 0.634656 0.627948 ESP Fit Center 9328 is at -7.208654 2.064814 0.285258 ESP Fit Center 9329 is at -7.513465 1.775070 0.285258 ESP Fit Center 9330 is at -7.753711 1.429899 0.285258 ESP Fit Center 9331 is at -7.919557 1.043432 0.285258 ESP Fit Center 9332 is at -8.004213 0.631492 0.285258 ESP Fit Center 9333 is at -8.004213 0.210943 0.285258 ESP Fit Center 9334 is at -7.064047 2.374332 -0.093894 ESP Fit Center 9335 is at -7.413299 2.125631 -0.093894 ESP Fit Center 9336 is at -7.709172 1.815329 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-1.331498 ESP Fit Center 9373 is at -8.065891 -0.604283 -1.331498 ESP Fit Center 9374 is at -7.848559 -0.968035 -1.331498 ESP Fit Center 9375 is at -7.569769 -1.287136 -1.331498 ESP Fit Center 9376 is at -7.238482 -1.551328 -1.331498 ESP Fit Center 9377 is at -6.674040 2.552443 -1.735591 ESP Fit Center 9378 is at -7.064047 2.374332 -1.735591 ESP Fit Center 9379 is at -7.413299 2.125631 -1.735591 ESP Fit Center 9380 is at -7.709172 1.815329 -1.735591 ESP Fit Center 9381 is at -7.940973 1.454639 -1.735591 ESP Fit Center 9382 is at -8.100324 1.056599 -1.735591 ESP Fit Center 9383 is at -8.181466 0.635594 -1.735591 ESP Fit Center 9384 is at -8.181466 0.206842 -1.735591 ESP Fit Center 9385 is at -8.100324 -0.214163 -1.735591 ESP Fit Center 9386 is at -7.940973 -0.612203 -1.735591 ESP Fit Center 9387 is at -7.709172 -0.972893 -1.735591 ESP Fit Center 9388 is at -7.413299 -1.283196 -1.735591 ESP Fit Center 9389 is at -7.064047 -1.531897 -1.735591 ESP Fit Center 9390 is at -6.851758 2.287270 -2.114742 ESP Fit Center 9391 is at -7.208654 2.064814 -2.114742 ESP Fit Center 9392 is at -7.513465 1.775070 -2.114742 ESP Fit Center 9393 is at -7.753711 1.429899 -2.114742 ESP Fit Center 9394 is at -7.919557 1.043432 -2.114742 ESP Fit Center 9395 is at -8.004213 0.631492 -2.114742 ESP Fit Center 9396 is at -8.004213 0.210943 -2.114742 ESP Fit Center 9397 is at -7.919557 -0.200997 -2.114742 ESP Fit Center 9398 is at -7.753711 -0.587463 -2.114742 ESP Fit Center 9399 is at -7.513465 -0.932634 -2.114742 ESP Fit Center 9400 is at -7.208654 -1.222379 -2.114742 ESP Fit Center 9401 is at -6.851758 -1.444834 -2.114742 ESP Fit Center 9402 is at -6.855669 2.013411 -2.457433 ESP Fit Center 9403 is at -7.198076 1.758499 -2.457433 ESP Fit Center 9404 is at -7.472466 1.431494 -2.457433 ESP Fit Center 9405 is at -7.664047 1.050024 -2.457433 ESP Fit Center 9406 is at -7.762491 0.634656 -2.457433 ESP Fit Center 9407 is at -7.762491 0.207780 -2.457433 ESP Fit Center 9408 is at -7.664047 -0.207588 -2.457433 ESP Fit Center 9409 is at -7.472466 -0.589058 -2.457433 ESP Fit Center 9410 is at -7.198076 -0.916063 -2.457433 ESP Fit Center 9411 is at -6.855669 -1.170976 -2.457433 ESP Fit Center 9412 is at -6.453032 1.874835 -2.753249 ESP Fit Center 9413 is at -6.826055 1.681549 -2.753249 ESP Fit Center 9414 is at -7.133098 1.394791 -2.753249 ESP Fit Center 9415 is at -7.351389 1.035827 -2.753249 ESP Fit Center 9416 is at -7.464738 0.631281 -2.753249 ESP Fit Center 9417 is at -7.464738 0.211155 -2.753249 ESP Fit Center 9418 is at -7.351389 -0.193392 -2.753249 ESP Fit Center 9419 is at -7.133098 -0.552355 -2.753249 ESP Fit Center 9420 is at -6.826055 -0.839114 -2.753249 ESP Fit Center 9421 is at -6.453032 -1.032399 -2.753249 ESP Fit Center 9422 is at -6.536416 1.460448 -2.993203 ESP Fit Center 9423 is at -6.855669 1.192563 -2.993203 ESP Fit Center 9424 is at -7.064047 0.831642 -2.993203 ESP Fit Center 9425 is at -7.136416 0.421218 -2.993203 ESP Fit Center 9426 is at -7.064047 0.010794 -2.993203 ESP Fit Center 9427 is at -6.855669 -0.350127 -2.993203 ESP Fit Center 9428 is at -6.536416 -0.618013 -2.993203 ESP Fit Center 9429 is at -6.346840 1.132093 -3.170005 ESP Fit Center 9430 is at -6.647292 0.831642 -3.170005 ESP Fit Center 9431 is at -6.757264 0.421218 -3.170005 ESP Fit Center 9432 is at -6.647292 0.010794 -3.170005 ESP Fit Center 9433 is at -6.346840 -0.289658 -3.170005 ESP Fit Center 9434 is at -6.353172 0.421218 -3.278281 ESP Fit Center 9435 is at 1.738388 -2.316612 3.329433 ESP Fit Center 9436 is at 2.155706 -2.316612 3.298160 ESP Fit Center 9437 is at 1.947047 -1.955203 3.298160 ESP Fit Center 9438 is at 1.529728 -1.955203 3.298160 ESP Fit Center 9439 is at 1.321069 -2.316612 3.298160 ESP Fit Center 9440 is at 1.529728 -2.678020 3.298160 ESP Fit Center 9441 is at 1.947047 -2.678020 3.298160 ESP Fit Center 9442 is at 2.563702 -2.316612 3.205037 ESP Fit Center 9443 is at 2.453131 -1.903954 3.205037 ESP Fit Center 9444 is at 2.151045 -1.601868 3.205037 ESP Fit Center 9445 is at 1.738388 -1.491297 3.205037 ESP Fit Center 9446 is at 1.325730 -1.601868 3.205037 ESP Fit Center 9447 is at 1.023644 -1.903954 3.205037 ESP Fit Center 9448 is at 0.913073 -2.316612 3.205037 ESP Fit Center 9449 is at 1.023644 -2.729269 3.205037 ESP Fit Center 9450 is at 1.325730 -3.031355 3.205037 ESP Fit Center 9451 is at 1.738388 -3.141926 3.205037 ESP Fit Center 9452 is at 2.151045 -3.031355 3.205037 ESP Fit Center 9453 is at 2.453131 -2.729269 3.205037 ESP Fit Center 9454 is at 0.807740 -1.535705 3.052146 ESP Fit Center 9455 is at 0.596779 -1.901100 3.052146 ESP Fit Center 9456 is at 0.523513 -2.316612 3.052146 ESP Fit Center 9457 is at 0.596779 -2.732123 3.052146 ESP Fit Center 9458 is at 0.807740 -3.097518 3.052146 ESP Fit Center 9459 is at 1.130950 -3.368724 3.052146 ESP Fit Center 9460 is at 1.527427 -3.513030 3.052146 ESP Fit Center 9461 is at 1.949348 -3.513030 3.052146 ESP Fit Center 9462 is at 2.345825 -3.368724 3.052146 ESP Fit Center 9463 is at 2.669035 -3.097518 3.052146 ESP Fit Center 9464 is at 0.372409 -1.527964 2.842902 ESP Fit Center 9465 is at 0.214836 -1.908377 2.842902 ESP Fit Center 9466 is at 0.161091 -2.316612 2.842902 ESP Fit Center 9467 is at 0.214836 -2.724846 2.842902 ESP Fit Center 9468 is at 0.372409 -3.105260 2.842902 ESP Fit Center 9469 is at 0.623071 -3.431929 2.842902 ESP Fit Center 9470 is at 0.949740 -3.682590 2.842902 ESP Fit Center 9471 is at 1.330153 -3.840163 2.842902 ESP Fit Center 9472 is at 1.738388 -3.893908 2.842902 ESP Fit Center 9473 is at 2.146622 -3.840163 2.842902 ESP Fit Center 9474 is at 2.527036 -3.682590 2.842902 ESP Fit Center 9475 is at -0.154932 -2.522523 2.581979 ESP Fit Center 9476 is at -0.066402 -2.924716 2.581979 ESP Fit Center 9477 is at 0.106517 -3.298476 2.581979 ESP Fit Center 9478 is at 0.355741 -3.626324 2.581979 ESP Fit Center 9479 is at 0.669616 -3.892932 2.581979 ESP Fit Center 9480 is at 1.033466 -4.085833 2.581979 ESP Fit Center 9481 is at 1.430276 -4.196007 2.581979 ESP Fit Center 9482 is at 1.841494 -4.218302 2.581979 ESP Fit Center 9483 is at 2.247891 -4.151677 2.581979 ESP Fit Center 9484 is at 2.630464 -3.999246 2.581979 ESP Fit Center 9485 is at -0.207387 -3.319728 2.275205 ESP Fit Center 9486 is at 0.017617 -3.669841 2.275205 ESP Fit Center 9487 is at 0.304814 -3.971044 2.275205 ESP Fit Center 9488 is at 0.643824 -4.212452 2.275205 ESP Fit Center 9489 is at 1.022394 -4.385340 2.275205 ESP Fit Center 9490 is at 1.426842 -4.483458 2.275205 ESP Fit Center 9491 is at 1.842550 -4.503260 2.275205 ESP Fit Center 9492 is at 2.254494 -4.444032 2.275205 ESP Fit Center 9493 is at 2.647784 -4.307913 2.275205 ESP Fit Center 9494 is at 3.008206 -4.099823 2.275205 ESP Fit Center 9495 is at -0.270642 -3.674478 1.929433 ESP Fit Center 9496 is at -0.012263 -3.994474 1.929433 ESP Fit Center 9497 is at 0.296479 -4.266201 1.929433 ESP Fit Center 9498 is at 0.646702 -4.481842 1.929433 ESP Fit Center 9499 is at 1.028330 -4.635193 1.929433 ESP Fit Center 9500 is at 1.430386 -4.721842 1.929433 ESP Fit Center 9501 is at 1.841302 -4.739298 1.929433 ESP Fit Center 9502 is at 2.249258 -4.687057 1.929433 ESP Fit Center 9503 is at 2.642516 -4.566623 1.929433 ESP Fit Center 9504 is at 3.009765 -4.381460 1.929433 ESP Fit Center 9505 is at -0.104648 -4.159648 1.552388 ESP Fit Center 9506 is at 0.206357 -4.425271 1.552388 ESP Fit Center 9507 is at 0.555086 -4.638973 1.552388 ESP Fit Center 9508 is at 0.932951 -4.795490 1.552388 ESP Fit Center 9509 is at 1.330650 -4.890969 1.552388 ESP Fit Center 9510 is at 1.738388 -4.923058 1.552388 ESP Fit Center 9511 is at 2.146126 -4.890969 1.552388 ESP Fit Center 9512 is at 2.543824 -4.795490 1.552388 ESP Fit Center 9513 is at 2.921690 -4.638973 1.552388 ESP Fit Center 9514 is at -0.077817 -4.354551 1.152492 ESP Fit Center 9515 is at 0.254558 -4.607910 1.152492 ESP Fit Center 9516 is at 0.621713 -4.807562 1.152492 ESP Fit Center 9517 is at 1.015042 -4.948829 1.152492 ESP Fit Center 9518 is at 1.425325 -5.028399 1.152492 ESP Fit Center 9519 is at 1.842946 -5.044407 1.152492 ESP Fit Center 9520 is at 2.258117 -4.996477 1.152492 ESP Fit Center 9521 is at 2.661105 -4.885734 1.152492 ESP Fit Center 9522 is at 3.042466 -4.714773 1.152492 ESP Fit Center 9523 is at -0.002502 -4.499619 0.738678 ESP Fit Center 9524 is at 0.342302 -4.734702 0.738678 ESP Fit Center 9525 is at 0.718293 -4.915770 0.738678 ESP Fit Center 9526 is at 1.117071 -5.038777 0.738678 ESP Fit Center 9527 is at 1.529728 -5.100975 0.738678 ESP Fit Center 9528 is at 1.947047 -5.100975 0.738678 ESP Fit Center 9529 is at 2.359704 -5.038777 0.738678 ESP Fit Center 9530 is at 2.758482 -4.915770 0.738678 ESP Fit Center 9531 is at 3.134473 -4.734702 0.738678 ESP Fit Center 9532 is at 3.479277 -4.499619 0.738678 ESP Fit Center 9533 is at -0.002502 -4.499619 0.320189 ESP Fit Center 9534 is at 0.342302 -4.734702 0.320189 ESP Fit Center 9535 is at 0.718293 -4.915770 0.320189 ESP Fit Center 9536 is at 1.117071 -5.038777 0.320189 ESP Fit Center 9537 is at 1.529728 -5.100975 0.320189 ESP Fit Center 9538 is at 1.947047 -5.100975 0.320189 ESP Fit Center 9539 is at 2.359704 -5.038777 0.320189 ESP Fit Center 9540 is at 2.758482 -4.915770 0.320189 ESP Fit Center 9541 is at 3.134473 -4.734702 0.320189 ESP Fit Center 9542 is at 3.479277 -4.499619 0.320189 ESP Fit Center 9543 is at 0.254558 -4.607910 -0.093625 ESP Fit Center 9544 is at 0.621713 -4.807562 -0.093625 ESP Fit Center 9545 is at 1.015042 -4.948829 -0.093625 ESP Fit Center 9546 is at 1.425325 -5.028399 -0.093625 ESP Fit Center 9547 is at 1.842946 -5.044407 -0.093625 ESP Fit Center 9548 is at 2.258117 -4.996477 -0.093625 ESP Fit Center 9549 is at 2.661105 -4.885734 -0.093625 ESP Fit Center 9550 is at 3.042466 -4.714773 -0.093625 ESP Fit Center 9551 is at 3.393261 -4.487601 -0.093625 ESP Fit Center 9552 is at 3.705266 -4.209542 -0.093625 ESP Fit Center 9553 is at 0.206357 -4.425271 -0.493522 ESP Fit Center 9554 is at 0.555086 -4.638973 -0.493522 ESP Fit Center 9555 is at 0.932951 -4.795490 -0.493522 ESP Fit Center 9556 is at 1.330650 -4.890969 -0.493522 ESP Fit Center 9557 is at 1.738388 -4.923058 -0.493522 ESP Fit Center 9558 is at 2.146126 -4.890969 -0.493522 ESP Fit Center 9559 is at 2.543824 -4.795490 -0.493522 ESP Fit Center 9560 is at 2.921690 -4.638973 -0.493522 ESP Fit Center 9561 is at 3.270418 -4.425271 -0.493522 ESP Fit Center 9562 is at 3.581424 -4.159648 -0.493522 ESP Fit Center 9563 is at 0.296479 -4.266201 -0.870567 ESP Fit Center 9564 is at 0.646702 -4.481842 -0.870567 ESP Fit Center 9565 is at 1.028330 -4.635193 -0.870567 ESP Fit Center 9566 is at 1.430386 -4.721842 -0.870567 ESP Fit Center 9567 is at 1.841302 -4.739298 -0.870567 ESP Fit Center 9568 is at 2.249258 -4.687057 -0.870567 ESP Fit Center 9569 is at 2.642516 -4.566623 -0.870567 ESP Fit Center 9570 is at 3.009765 -4.381460 -0.870567 ESP Fit Center 9571 is at 3.340439 -4.136895 -0.870567 ESP Fit Center 9572 is at 0.643824 -4.212452 -1.216338 ESP Fit Center 9573 is at 1.022394 -4.385340 -1.216338 ESP Fit Center 9574 is at 1.426842 -4.483458 -1.216338 ESP Fit Center 9575 is at 1.842550 -4.503260 -1.216338 ESP Fit Center 9576 is at 2.254494 -4.444032 -1.216338 ESP Fit Center 9577 is at 2.647784 -4.307913 -1.216338 ESP Fit Center 9578 is at 3.008206 -4.099823 -1.216338 ESP Fit Center 9579 is at 3.322734 -3.827283 -1.216338 ESP Fit Center 9580 is at 0.669616 -3.892932 -1.523112 ESP Fit Center 9581 is at 1.033466 -4.085833 -1.523112 ESP Fit Center 9582 is at 1.430276 -4.196007 -1.523112 ESP Fit Center 9583 is at 1.841494 -4.218302 -1.523112 ESP Fit Center 9584 is at 2.247891 -4.151677 -1.523112 ESP Fit Center 9585 is at 2.630464 -3.999246 -1.523112 ESP Fit Center 9586 is at 2.971324 -3.768137 -1.523112 ESP Fit Center 9587 is at 3.254534 -3.469156 -1.523112 ESP Fit Center 9588 is at 0.949740 -3.682590 -1.784035 ESP Fit Center 9589 is at 1.330153 -3.840163 -1.784035 ESP Fit Center 9590 is at 1.738388 -3.893908 -1.784035 ESP Fit Center 9591 is at 2.146622 -3.840163 -1.784035 ESP Fit Center 9592 is at 2.527036 -3.682590 -1.784035 ESP Fit Center 9593 is at 2.853704 -3.431929 -1.784035 ESP Fit Center 9594 is at 1.130950 -3.368724 -1.993280 ESP Fit Center 9595 is at 1.527427 -3.513030 -1.993280 ESP Fit Center 9596 is at 1.949348 -3.513030 -1.993280 ESP Fit Center 9597 is at 2.345825 -3.368724 -1.993280 ESP Fit Center 9598 is at 1.325730 -3.031355 -2.146171 ESP Fit Center 9599 is at 1.738388 -3.141926 -2.146171 ESP Fit Center 9600 is at 3.169979 0.467760 2.750502 ESP Fit Center 9601 is at 2.779922 0.325791 2.750502 ESP Fit Center 9602 is at 3.271151 0.845833 2.562126 ESP Fit Center 9603 is at 3.884026 1.114969 2.326002 ESP Fit Center 9604 is at 3.480023 1.181202 2.326002 ESP Fit Center 9605 is at 4.288325 1.285090 2.046527 ESP Fit Center 9606 is at 3.894427 1.421420 2.046527 ESP Fit Center 9607 is at 3.481543 -3.157986 -1.731173 ESP Fit Center 9608 is at 3.065497 -2.879476 -2.048791 ESP Fit Center 9609 is at 3.481848 -2.899309 -2.048791 ESP Fit Center 9610 is at 3.894427 -2.839990 -2.048791 ESP Fit Center 9611 is at 4.288325 -2.703660 -2.048791 ESP Fit Center 9612 is at 3.071228 -2.577608 -2.328266 ESP Fit Center 9613 is at 3.480023 -2.599772 -2.328266 ESP Fit Center 9614 is at 3.884026 -2.533539 -2.328266 ESP Fit Center 9615 is at 4.264345 -2.382006 -2.328266 ESP Fit Center 9616 is at 4.603197 -2.152259 -2.328266 ESP Fit Center 9617 is at 2.855530 -2.178036 -2.564390 ESP Fit Center 9618 is at 3.271151 -2.264403 -2.564390 ESP Fit Center 9619 is at 3.694661 -2.235434 -2.564390 ESP Fit Center 9620 is at 4.094651 -2.093278 -2.564390 ESP Fit Center 9621 is at 4.394003 -1.388470 3.662468 ESP Fit Center 9622 is at 4.802503 -1.388470 3.634526 ESP Fit Center 9623 is at 4.598253 -1.034699 3.634526 ESP Fit Center 9624 is at 4.189753 -1.034699 3.634526 ESP Fit Center 9625 is at 3.985504 -1.388470 3.634526 ESP Fit Center 9626 is at 4.598253 -1.742242 3.634526 ESP Fit Center 9627 is at 5.203394 -1.388470 3.551220 ESP Fit Center 9628 is at 5.094956 -0.983775 3.551220 ESP Fit Center 9629 is at 4.798699 -0.687518 3.551220 ESP Fit Center 9630 is at 4.394003 -0.579080 3.551220 ESP Fit Center 9631 is at 3.989308 -0.687518 3.551220 ESP Fit Center 9632 is at 3.693051 -0.983775 3.551220 ESP Fit Center 9633 is at 3.584613 -1.388470 3.551220 ESP Fit Center 9634 is at 5.094956 -1.793166 3.551220 ESP Fit Center 9635 is at 4.991605 -0.353394 3.414102 ESP Fit Center 9636 is at 4.601548 -0.211425 3.414102 ESP Fit Center 9637 is at 4.186459 -0.211425 3.414102 ESP Fit Center 9638 is at 3.796402 -0.353394 3.414102 ESP Fit Center 9639 is at 3.478425 -0.620209 3.414102 ESP Fit Center 9640 is at 3.270880 -0.979687 3.414102 ESP Fit Center 9641 is at 3.198800 -1.388470 3.414102 ESP Fit Center 9642 is at 5.309582 -2.156732 3.414102 ESP Fit Center 9643 is at 5.517127 -1.797254 3.414102 ESP Fit Center 9644 is at 4.711141 0.137679 3.225726 ESP Fit Center 9645 is at 4.287630 0.166648 3.225726 ESP Fit Center 9646 is at 3.872009 0.080281 3.225726 ESP Fit Center 9647 is at 3.495102 -0.115017 3.225726 ESP Fit Center 9648 is at 3.184862 -0.404761 3.225726 ESP Fit Center 9649 is at 2.964299 -0.767462 3.225726 ESP Fit Center 9650 is at 2.849770 -1.176220 3.225726 ESP Fit Center 9651 is at 2.849770 -1.600720 3.225726 ESP Fit Center 9652 is at 4.496503 0.502017 2.989602 ESP Fit Center 9653 is at 4.087707 0.479853 2.989602 ESP Fit Center 9654 is at 3.693234 0.370328 2.989602 ESP Fit Center 9655 is at 3.331528 0.178563 2.989602 ESP Fit Center 9656 is at 3.019502 -0.086474 2.989602 ESP Fit Center 9657 is at 2.771747 -0.412391 2.989602 ESP Fit Center 9658 is at 4.498327 0.801554 2.710128 ESP Fit Center 9659 is at 4.081977 0.781721 2.710128 ESP Fit Center 9660 is at 3.676904 0.683451 2.710128 ESP Fit Center 9661 is at 4.498023 1.060231 2.392509 ESP Fit Center 9662 is at 4.082694 1.042588 2.392509 ESP Fit Center 9663 is at 4.394003 1.275185 2.042663 ESP Fit Center 9664 is at 5.706051 -4.078567 0.867196 ESP Fit Center 9665 is at 4.913734 -4.336006 0.457741 ESP Fit Center 9666 is at 5.318893 -4.234989 0.457741 ESP Fit Center 9667 is at 5.706051 -4.078567 0.457741 ESP Fit Center 9668 is at 4.086977 -4.309632 0.052100 ESP Fit Center 9669 is at 4.496512 -4.323933 0.052100 ESP Fit Center 9670 is at 4.904052 -4.281099 0.052100 ESP Fit Center 9671 is at 5.301664 -4.181963 0.052100 ESP Fit Center 9672 is at 5.681610 -4.028455 0.052100 ESP Fit Center 9673 is at 3.880556 -4.168232 -0.342171 ESP Fit Center 9674 is at 4.290764 -4.213367 -0.342171 ESP Fit Center 9675 is at 4.703172 -4.198295 -0.342171 ESP Fit Center 9676 is at 5.108991 -4.123337 -0.342171 ESP Fit Center 9677 is at 5.499572 -3.990089 -0.342171 ESP Fit Center 9678 is at 3.977316 -4.019332 -0.717727 ESP Fit Center 9679 is at 4.394003 -4.052126 -0.717727 ESP Fit Center 9680 is at 4.810691 -4.019332 -0.717727 ESP Fit Center 9681 is at 5.217118 -3.921758 -0.717727 ESP Fit Center 9682 is at 5.603278 -3.761805 -0.717727 ESP Fit Center 9683 is at 3.676321 -3.731949 -1.067573 ESP Fit Center 9684 is at 4.082694 -3.819529 -1.067573 ESP Fit Center 9685 is at 4.498023 -3.837172 -1.067573 ESP Fit Center 9686 is at 4.910359 -3.784370 -1.067573 ESP Fit Center 9687 is at 5.307841 -3.662643 -1.067573 ESP Fit Center 9688 is at 3.676904 -3.460392 -1.385191 ESP Fit Center 9689 is at 4.081977 -3.558662 -1.385191 ESP Fit Center 9690 is at 4.498327 -3.578495 -1.385191 ESP Fit Center 9691 is at 4.910907 -3.519175 -1.385191 ESP Fit Center 9692 is at 5.304804 -3.382846 -1.385191 ESP Fit Center 9693 is at 4.087707 -3.256793 -1.664666 ESP Fit Center 9694 is at 4.496503 -3.278958 -1.664666 ESP Fit Center 9695 is at 4.900505 -3.212725 -1.664666 ESP Fit Center 9696 is at 5.280824 -3.061192 -1.664666 ESP Fit Center 9697 is at 4.287630 -2.943588 -1.900790 ESP Fit Center 9698 is at 4.711141 -2.914620 -1.900790 ESP Fit Center 9699 is at 5.111131 -2.772463 -1.900790 ESP Fit Center 9700 is at 4.601548 -2.565516 -2.089166 ESP Fit Center 9701 is at 4.991605 -2.423547 -2.089166 ESP Fit Center 9702 is at 5.709710 -0.992725 3.511602 ESP Fit Center 9703 is at 6.118210 -0.992725 3.483660 ESP Fit Center 9704 is at 5.913960 -0.638954 3.483660 ESP Fit Center 9705 is at 5.505460 -0.638954 3.483660 ESP Fit Center 9706 is at 5.505460 -1.346497 3.483660 ESP Fit Center 9707 is at 5.913960 -1.346497 3.483660 ESP Fit Center 9708 is at 6.519100 -0.992725 3.400354 ESP Fit Center 9709 is at 6.410662 -0.588030 3.400354 ESP Fit Center 9710 is at 6.114405 -0.291773 3.400354 ESP Fit Center 9711 is at 5.709710 -0.183335 3.400354 ESP Fit Center 9712 is at 5.305015 -0.291773 3.400354 ESP Fit Center 9713 is at 5.709710 -1.802116 3.400354 ESP Fit Center 9714 is at 6.114405 -1.693678 3.400354 ESP Fit Center 9715 is at 6.832833 -0.583942 3.263236 ESP Fit Center 9716 is at 6.625289 -0.224463 3.263236 ESP Fit Center 9717 is at 6.307311 0.042351 3.263236 ESP Fit Center 9718 is at 5.917255 0.184320 3.263236 ESP Fit Center 9719 is at 5.502165 0.184320 3.263236 ESP Fit Center 9720 is at 5.112108 0.042351 3.263236 ESP Fit Center 9721 is at 7.041538 -0.182823 3.074861 ESP Fit Center 9722 is at 6.773641 0.146467 3.074861 ESP Fit Center 9723 is at 6.426837 0.391268 3.074861 ESP Fit Center 9724 is at 6.026847 0.533424 3.074861 ESP Fit Center 9725 is at 5.603337 0.562393 3.074861 ESP Fit Center 9726 is at 5.187715 0.476026 3.074861 ESP Fit Center 9727 is at 7.427989 -0.197764 2.838736 ESP Fit Center 9728 is at 7.216924 0.153029 2.838736 ESP Fit Center 9729 is at 6.935383 0.450249 2.838736 ESP Fit Center 9730 is at 6.596530 0.679996 2.838736 ESP Fit Center 9731 is at 6.216211 0.831529 2.838736 ESP Fit Center 9732 is at 5.812209 0.897762 2.838736 ESP Fit Center 9733 is at 5.403414 0.875598 2.838736 ESP Fit Center 9734 is at 5.008940 0.766073 2.838736 ESP Fit Center 9735 is at 7.554165 0.192634 2.559262 ESP Fit Center 9736 is at 7.296502 0.520278 2.559262 ESP Fit Center 9737 is at 6.981489 0.793239 2.559262 ESP Fit Center 9738 is at 6.620510 1.001650 2.559262 ESP Fit Center 9739 is at 6.226613 1.137979 2.559262 ESP Fit Center 9740 is at 5.814033 1.197299 2.559262 ESP Fit Center 9741 is at 5.397683 1.177466 2.559262 ESP Fit Center 9742 is at 4.992611 1.079197 2.559262 ESP Fit Center 9743 is at 7.849388 0.202571 2.241643 ESP Fit Center 9744 is at 7.616605 0.546985 2.241643 ESP Fit Center 9745 is at 4.992028 1.350753 2.241643 ESP Fit Center 9746 is at 4.606301 1.195755 2.241643 ESP Fit Center 9747 is at 8.083044 0.216549 1.891798 ESP Fit Center 9748 is at 6.229440 -3.940261 0.716330 ESP Fit Center 9749 is at 6.229440 -3.940261 0.306875 ESP Fit Center 9750 is at 6.634599 -3.839243 0.306875 ESP Fit Center 9751 is at 5.812218 -3.928188 -0.098766 ESP Fit Center 9752 is at 6.219758 -3.885354 -0.098766 ESP Fit Center 9753 is at 6.617371 -3.786218 -0.098766 ESP Fit Center 9754 is at 6.997316 -3.632710 -0.098766 ESP Fit Center 9755 is at 6.018878 -3.802550 -0.493036 ESP Fit Center 9756 is at 6.424697 -3.727591 -0.493036 ESP Fit Center 9757 is at 6.815278 -3.594344 -0.493036 ESP Fit Center 9758 is at 7.182295 -3.405647 -0.493036 ESP Fit Center 9759 is at 7.517926 -3.165524 -0.493036 ESP Fit Center 9760 is at 7.815019 -2.879091 -0.493036 ESP Fit Center 9761 is at 8.067240 -2.552453 -0.493036 ESP Fit Center 9762 is at 8.269215 -2.192572 -0.493036 ESP Fit Center 9763 is at 8.416639 -1.807119 -0.493036 ESP Fit Center 9764 is at 5.709710 -3.656381 -0.868593 ESP Fit Center 9765 is at 6.126397 -3.623587 -0.868593 ESP Fit Center 9766 is at 6.532825 -3.526012 -0.868593 ESP Fit Center 9767 is at 6.918984 -3.366060 -0.868593 ESP Fit Center 9768 is at 7.275367 -3.147668 -0.868593 ESP Fit Center 9769 is at 7.593199 -2.876214 -0.868593 ESP Fit Center 9770 is at 7.864652 -2.558383 -0.868593 ESP Fit Center 9771 is at 8.083044 -2.202000 -0.868593 ESP Fit Center 9772 is at 5.813729 -3.441427 -1.218438 ESP Fit Center 9773 is at 6.226066 -3.388625 -1.218438 ESP Fit Center 9774 is at 6.623547 -3.266897 -1.218438 ESP Fit Center 9775 is at 6.994739 -3.079746 -1.218438 ESP Fit Center 9776 is at 7.328964 -2.832555 -1.218438 ESP Fit Center 9777 is at 7.616605 -2.532436 -1.218438 ESP Fit Center 9778 is at 7.849388 -2.188021 -1.218438 ESP Fit Center 9779 is at 5.814033 -3.182750 -1.536057 ESP Fit Center 9780 is at 6.226613 -3.123430 -1.536057 ESP Fit Center 9781 is at 6.620510 -2.987101 -1.536057 ESP Fit Center 9782 is at 6.981489 -2.778689 -1.536057 ESP Fit Center 9783 is at 7.296502 -2.505729 -1.536057 ESP Fit Center 9784 is at 5.403414 -2.861048 -1.815531 ESP Fit Center 9785 is at 5.812209 -2.883212 -1.815531 ESP Fit Center 9786 is at 6.216211 -2.816980 -1.815531 ESP Fit Center 9787 is at 6.596530 -2.665447 -1.815531 ESP Fit Center 9788 is at 6.935383 -2.435699 -1.815531 ESP Fit Center 9789 is at 5.187715 -2.461476 -2.051656 ESP Fit Center 9790 is at 5.603337 -2.547843 -2.051656 ESP Fit Center 9791 is at 6.026847 -2.518874 -2.051656 ESP Fit Center 9792 is at 6.426837 -2.376718 -2.051656 ESP Fit Center 9793 is at 5.502165 -2.169771 -2.240031 ESP Fit Center 9794 is at 6.230232 1.251943 2.434542 ESP Fit Center 9795 is at 7.354515 0.884800 2.246166 ESP Fit Center 9796 is at 7.086618 1.214089 2.246166 ESP Fit Center 9797 is at 6.739815 1.458890 2.246166 ESP Fit Center 9798 is at 6.339825 1.601047 2.246166 ESP Fit Center 9799 is at 5.916314 1.630016 2.246166 ESP Fit Center 9800 is at 5.500693 1.543648 2.246166 ESP Fit Center 9801 is at 7.871688 0.481893 2.010042 ESP Fit Center 9802 is at 7.740967 0.869858 2.010042 ESP Fit Center 9803 is at 7.529902 1.220652 2.010042 ESP Fit Center 9804 is at 7.248361 1.517871 2.010042 ESP Fit Center 9805 is at 6.909508 1.747619 2.010042 ESP Fit Center 9806 is at 6.529189 1.899152 2.010042 ESP Fit Center 9807 is at 6.125187 1.965385 2.010042 ESP Fit Center 9808 is at 5.716391 1.943220 2.010042 ESP Fit Center 9809 is at 5.321918 1.833695 2.010042 ESP Fit Center 9810 is at 4.960212 1.641931 2.010042 ESP Fit Center 9811 is at 8.175574 0.489832 1.730567 ESP Fit Center 9812 is at 8.058142 0.889770 1.730567 ESP Fit Center 9813 is at 7.867142 1.260257 1.730567 ESP Fit Center 9814 is at 7.609480 1.587901 1.730567 ESP Fit Center 9815 is at 7.294467 1.860862 1.730567 ESP Fit Center 9816 is at 6.933488 2.069273 1.730567 ESP Fit Center 9817 is at 6.539591 2.205602 1.730567 ESP Fit Center 9818 is at 6.127011 2.264922 1.730567 ESP Fit Center 9819 is at 5.710661 2.245089 1.730567 ESP Fit Center 9820 is at 5.305588 2.146819 1.730567 ESP Fit Center 9821 is at 7.641942 1.914727 1.412949 ESP Fit Center 9822 is at 7.307717 2.161918 1.412949 ESP Fit Center 9823 is at 6.936525 2.349070 1.412949 ESP Fit Center 9824 is at 6.539043 2.470797 1.412949 ESP Fit Center 9825 is at 6.126707 2.523599 1.412949 ESP Fit Center 9826 is at 5.711378 2.505956 1.412949 ESP Fit Center 9827 is at 7.588345 2.229840 1.063103 ESP Fit Center 9828 is at 7.231962 2.448232 1.063103 ESP Fit Center 9829 is at 6.845802 2.608185 1.063103 ESP Fit Center 9830 is at 6.439375 2.705759 1.063103 ESP Fit Center 9831 is at 6.022687 2.738553 1.063103 ESP Fit Center 9832 is at 7.495273 2.487820 0.687547 ESP Fit Center 9833 is at 7.128256 2.676516 0.687547 ESP Fit Center 9834 is at 6.737675 2.809764 0.687547 ESP Fit Center 9835 is at 6.331856 2.884722 0.687547 ESP Fit Center 9836 is at 7.310294 2.714882 0.293276 ESP Fit Center 9837 is at 6.930348 2.868390 0.293276 ESP Fit Center 9838 is at 7.334735 2.764994 -0.112365 ESP Fit Center 9839 is at 6.947577 2.921416 -0.112365 ESP Fit Center 9840 is at 7.334735 2.764994 -0.521820 ESP Fit Center 9841 is at 8.560901 -1.511154 -0.521820 ESP Fit Center 9842 is at 7.310294 2.714882 -0.927460 ESP Fit Center 9843 is at 8.272753 -1.813132 -0.927460 ESP Fit Center 9844 is at 8.513619 -1.481609 -0.927460 ESP Fit Center 9845 is at 7.830904 -2.097901 -1.321731 ESP Fit Center 9846 is at 8.127997 -1.811468 -1.321731 ESP Fit Center 9847 is at 8.380218 -1.484830 -1.321731 ESP Fit Center 9848 is at 7.588345 -2.080045 -1.697287 ESP Fit Center 9849 is at 7.906176 -1.808592 -1.697287 ESP Fit Center 9850 is at 8.177630 -1.490760 -1.697287 ESP Fit Center 9851 is at 6.936525 -2.199275 -2.047133 ESP Fit Center 9852 is at 7.307717 -2.012124 -2.047133 ESP Fit Center 9853 is at 7.641942 -1.764933 -2.047133 ESP Fit Center 9854 is at 7.929583 -1.464813 -2.047133 ESP Fit Center 9855 is at 8.162366 -1.120399 -2.047133 ESP Fit Center 9856 is at 5.305588 -1.997024 -2.364752 ESP Fit Center 9857 is at 5.710661 -2.095294 -2.364752 ESP Fit Center 9858 is at 6.127011 -2.115127 -2.364752 ESP Fit Center 9859 is at 6.539591 -2.055807 -2.364752 ESP Fit Center 9860 is at 6.933488 -1.919478 -2.364752 ESP Fit Center 9861 is at 7.294467 -1.711067 -2.364752 ESP Fit Center 9862 is at 7.609480 -1.438106 -2.364752 ESP Fit Center 9863 is at 7.867142 -1.110462 -2.364752 ESP Fit Center 9864 is at 8.058142 -0.739975 -2.364752 ESP Fit Center 9865 is at 7.529902 1.220652 -2.644226 ESP Fit Center 9866 is at 5.716391 -1.793425 -2.644226 ESP Fit Center 9867 is at 6.125187 -1.815590 -2.644226 ESP Fit Center 9868 is at 6.529189 -1.749357 -2.644226 ESP Fit Center 9869 is at 6.909508 -1.597824 -2.644226 ESP Fit Center 9870 is at 7.248361 -1.368076 -2.644226 ESP Fit Center 9871 is at 7.529902 -1.070857 -2.644226 ESP Fit Center 9872 is at 7.740967 -0.720063 -2.644226 ESP Fit Center 9873 is at 7.871688 -0.332098 -2.644226 ESP Fit Center 9874 is at 7.581439 0.074897 -2.880351 ESP Fit Center 9875 is at 7.523637 0.495444 -2.880351 ESP Fit Center 9876 is at 7.354515 0.884800 -2.880351 ESP Fit Center 9877 is at 5.916314 -1.480221 -2.880351 ESP Fit Center 9878 is at 6.339825 -1.451252 -2.880351 ESP Fit Center 9879 is at 6.739815 -1.309095 -2.880351 ESP Fit Center 9880 is at 7.086618 -1.064294 -2.880351 ESP Fit Center 9881 is at 7.354515 -0.735005 -2.880351 ESP Fit Center 9882 is at 7.523637 -0.345649 -2.880351 ESP Fit Center 9883 is at 7.217891 0.074897 -3.068726 ESP Fit Center 9884 is at 6.230232 -1.102148 -3.068726 ESP Fit Center 9885 is at 6.620289 -0.960179 -3.068726 ESP Fit Center 9886 is at 6.938266 -0.693364 -3.068726 ESP Fit Center 9887 is at 7.145811 -0.333886 -3.068726 ESP Fit Center 9888 is at 4.810501 1.920597 1.756074 ESP Fit Center 9889 is at 4.420444 1.778628 1.756074 ESP Fit Center 9890 is at 4.911673 2.298670 1.567698 ESP Fit Center 9891 is at 4.496052 2.212303 1.567698 ESP Fit Center 9892 is at 5.524548 2.567806 1.331574 ESP Fit Center 9893 is at 5.120545 2.634039 1.331574 ESP Fit Center 9894 is at 4.711750 2.611875 1.331574 ESP Fit Center 9895 is at 4.317277 2.502350 1.331574 ESP Fit Center 9896 is at 5.534949 2.874257 1.052099 ESP Fit Center 9897 is at 5.122370 2.933577 1.052099 ESP Fit Center 9898 is at 4.706019 2.913743 1.052099 ESP Fit Center 9899 is at 4.300947 2.815474 1.052099 ESP Fit Center 9900 is at 5.931883 3.017724 0.734481 ESP Fit Center 9901 is at 5.534402 3.139452 0.734481 ESP Fit Center 9902 is at 5.122065 3.192253 0.734481 ESP Fit Center 9903 is at 4.706737 3.174610 0.734481 ESP Fit Center 9904 is at 4.300364 3.087030 0.734481 ESP Fit Center 9905 is at 6.227320 3.116887 0.384635 ESP Fit Center 9906 is at 5.841161 3.276839 0.384635 ESP Fit Center 9907 is at 5.434733 3.374414 0.384635 ESP Fit Center 9908 is at 5.018046 3.407208 0.384635 ESP Fit Center 9909 is at 4.601358 3.374414 0.384635 ESP Fit Center 9910 is at 4.194931 3.276839 0.384635 ESP Fit Center 9911 is at 6.490631 3.156474 0.009079 ESP Fit Center 9912 is at 6.123614 3.345171 0.009079 ESP Fit Center 9913 is at 5.733034 3.478418 0.009079 ESP Fit Center 9914 is at 5.327214 3.553377 0.009079 ESP Fit Center 9915 is at 4.914806 3.568449 0.009079 ESP Fit Center 9916 is at 4.504598 3.523313 0.009079 ESP Fit Center 9917 is at 4.105333 3.418932 0.009079 ESP Fit Center 9918 is at 6.983451 2.926356 -0.385192 ESP Fit Center 9919 is at 6.660536 3.178644 -0.385192 ESP Fit Center 9920 is at 6.305652 3.383537 -0.385192 ESP Fit Center 9921 is at 5.925707 3.537045 -0.385192 ESP Fit Center 9922 is at 5.528094 3.636181 -0.385192 ESP Fit Center 9923 is at 5.120554 3.679015 -0.385192 ESP Fit Center 9924 is at 4.711019 3.664714 -0.385192 ESP Fit Center 9925 is at 4.307460 3.593555 -0.385192 ESP Fit Center 9926 is at 7.020758 2.967789 -0.790833 ESP Fit Center 9927 is at 4.293972 3.647653 -0.790833 ESP Fit Center 9928 is at 3.896846 3.518619 -1.200288 ESP Fit Center 9929 is at 5.018046 -1.920104 -2.375755 ESP Fit Center 9930 is at 5.122065 -1.705149 -2.725601 ESP Fit Center 9931 is at 5.534402 -1.652348 -2.725601 ESP Fit Center 9932 is at 7.210554 0.743552 -3.043220 ESP Fit Center 9933 is at 4.706019 -1.426639 -3.043220 ESP Fit Center 9934 is at 5.122370 -1.446473 -3.043220 ESP Fit Center 9935 is at 5.534949 -1.387153 -3.043220 ESP Fit Center 9936 is at 5.928846 -1.250823 -3.043220 ESP Fit Center 9937 is at 6.911310 0.743552 -3.322694 ESP Fit Center 9938 is at 4.711750 -1.124771 -3.322694 ESP Fit Center 9939 is at 5.120545 -1.146935 -3.322694 ESP Fit Center 9940 is at 5.524548 -1.080702 -3.322694 ESP Fit Center 9941 is at 5.904867 -0.929169 -3.322694 ESP Fit Center 9942 is at 6.243719 -0.699422 -3.322694 ESP Fit Center 9943 is at 6.525260 -0.402202 -3.322694 ESP Fit Center 9944 is at 6.736326 -0.051409 -3.322694 ESP Fit Center 9945 is at 6.867046 0.336556 -3.322694 ESP Fit Center 9946 is at 6.576798 0.743552 -3.558819 ESP Fit Center 9947 is at 3.808904 1.727262 -3.558819 ESP Fit Center 9948 is at 4.496052 -0.725199 -3.558819 ESP Fit Center 9949 is at 4.911673 -0.811566 -3.558819 ESP Fit Center 9950 is at 5.335183 -0.782597 -3.558819 ESP Fit Center 9951 is at 5.735173 -0.640441 -3.558819 ESP Fit Center 9952 is at 6.081977 -0.395640 -3.558819 ESP Fit Center 9953 is at 6.349874 -0.066350 -3.558819 ESP Fit Center 9954 is at 6.518995 0.323006 -3.558819 ESP Fit Center 9955 is at 6.213249 0.743552 -3.747194 ESP Fit Center 9956 is at 3.894922 1.152336 -3.747194 ESP Fit Center 9957 is at 4.420444 -0.291524 -3.747194 ESP Fit Center 9958 is at 4.810501 -0.433493 -3.747194 ESP Fit Center 9959 is at 5.225591 -0.433493 -3.747194 ESP Fit Center 9960 is at 5.615647 -0.291524 -3.747194 ESP Fit Center 9961 is at 5.933625 -0.024710 -3.747194 ESP Fit Center 9962 is at 6.141169 0.334768 -3.747194 ESP Fit Center 9963 is at 5.827436 0.743552 -3.884312 ESP Fit Center 9964 is at 4.317093 1.148247 -3.884312 ESP Fit Center 9965 is at 4.208655 0.743552 -3.884312 ESP Fit Center 9966 is at 4.317093 0.338857 -3.884312 ESP Fit Center 9967 is at 4.613351 0.042599 -3.884312 ESP Fit Center 9968 is at 5.018046 -0.065838 -3.884312 ESP Fit Center 9969 is at 5.422741 0.042599 -3.884312 ESP Fit Center 9970 is at 5.718998 0.338857 -3.884312 ESP Fit Center 9971 is at 5.426546 0.743552 -3.967618 ESP Fit Center 9972 is at 4.813796 1.097323 -3.967618 ESP Fit Center 9973 is at 4.609546 0.743552 -3.967618 ESP Fit Center 9974 is at 4.813796 0.389781 -3.967618 ESP Fit Center 9975 is at 5.222296 0.389781 -3.967618 ESP Fit Center 9976 is at 5.018046 0.743552 -3.995560 ESP Fit Center 9977 is at 4.014793 1.881425 1.727222 ESP Fit Center 9978 is at 4.214011 -2.040624 -2.566077 ESP Fit Center 9979 is at 4.611493 -1.918896 -2.566077 ESP Fit Center 9980 is at 1.748877 -0.649389 -2.883695 ESP Fit Center 9981 is at 1.974228 -1.000042 -2.883695 ESP Fit Center 9982 is at 2.261868 -1.301711 -2.883695 ESP Fit Center 9983 is at 2.601401 -1.543491 -2.883695 ESP Fit Center 9984 is at 2.980556 -1.716646 -2.883695 ESP Fit Center 9985 is at 3.385629 -1.814915 -2.883695 ESP Fit Center 9986 is at 3.801979 -1.834748 -2.883695 ESP Fit Center 9987 is at 4.214559 -1.775428 -2.883695 ESP Fit Center 9988 is at 4.608456 -1.639099 -2.883695 ESP Fit Center 9989 is at 2.075399 -0.620803 -3.163170 ESP Fit Center 9990 is at 2.323154 -0.946720 -3.163170 ESP Fit Center 9991 is at 2.635180 -1.211758 -3.163170 ESP Fit Center 9992 is at 2.996886 -1.403522 -3.163170 ESP Fit Center 9993 is at 3.391359 -1.513047 -3.163170 ESP Fit Center 9994 is at 3.800155 -1.535211 -3.163170 ESP Fit Center 9995 is at 4.204157 -1.468978 -3.163170 ESP Fit Center 9996 is at 4.584476 -1.317445 -3.163170 ESP Fit Center 9997 is at 2.488514 -0.628433 -3.399294 ESP Fit Center 9998 is at 2.798754 -0.918177 -3.399294 ESP Fit Center 9999 is at 3.175661 -1.113475 -3.399294 ESP Fit Center **** is at 3.591282 -1.199842 -3.399294 ESP Fit Center **** is at 4.014793 -1.170873 -3.399294 ESP Fit Center **** is at 4.414783 -1.028717 -3.399294 ESP Fit Center **** is at 2.574532 -0.053508 -3.587670 ESP Fit Center **** is at 2.782076 -0.412986 -3.587670 ESP Fit Center **** is at 3.100054 -0.679800 -3.587670 ESP Fit Center **** is at 3.490110 -0.821769 -3.587670 ESP Fit Center **** is at 3.905200 -0.821769 -3.587670 ESP Fit Center **** is at 4.295257 -0.679800 -3.587670 ESP Fit Center **** is at 3.697655 1.164666 -3.724788 ESP Fit Center **** is at 2.996703 -0.049419 -3.724788 ESP Fit Center **** is at 3.292960 -0.345677 -3.724788 ESP Fit Center **** is at 3.697655 -0.454114 -3.724788 ESP Fit Center **** is at 4.102350 -0.345677 -3.724788 ESP Fit Center **** is at 3.901905 0.709047 -3.808094 ESP Fit Center **** is at 3.493405 0.709047 -3.808094 ESP Fit Center **** is at 3.289155 0.355276 -3.808094 ESP Fit Center **** is at 3.493405 0.001505 -3.808094 ESP Fit Center **** is at 3.901905 0.001505 -3.808094 ESP Fit Center **** is at 3.697655 0.355276 -3.836036 ESP Fit Center **** is at 4.138840 -2.221612 3.688876 ESP Fit Center **** is at 4.555596 -2.221612 3.652415 ESP Fit Center **** is at 4.347218 -1.860691 3.652415 ESP Fit Center **** is at 3.930463 -1.860691 3.652415 ESP Fit Center **** is at 3.722085 -2.221612 3.652415 ESP Fit Center **** is at 3.930463 -2.582533 3.652415 ESP Fit Center **** is at 4.347218 -2.582533 3.652415 ESP Fit Center **** is at 4.959689 -2.221612 3.544139 ESP Fit Center **** is at 3.427965 -1.811188 3.544139 ESP Fit Center **** is at 3.317992 -2.221612 3.544139 ESP Fit Center **** is at 3.427965 -2.632036 3.544139 ESP Fit Center **** is at 3.728416 -2.932488 3.544139 ESP Fit Center **** is at 4.138840 -3.042461 3.544139 ESP Fit Center **** is at 4.549265 -2.932488 3.544139 ESP Fit Center **** is at 4.849716 -2.632036 3.544139 ESP Fit Center **** is at 3.011209 -1.811188 3.367337 ESP Fit Center **** is at 2.938840 -2.221612 3.367337 ESP Fit Center **** is at 3.011209 -2.632036 3.367337 ESP Fit Center **** is at 3.219587 -2.992957 3.367337 ESP Fit Center **** is at 3.538840 -3.260843 3.367337 ESP Fit Center **** is at 3.930463 -3.403382 3.367337 ESP Fit Center **** is at 4.347218 -3.403382 3.367337 ESP Fit Center **** is at 4.738840 -3.260843 3.367337 ESP Fit Center **** is at 5.058094 -2.992957 3.367337 ESP Fit Center **** is at 5.266472 -2.632036 3.367337 ESP Fit Center **** is at 2.723867 -2.836222 3.127383 ESP Fit Center **** is at 2.942158 -3.195185 3.127383 ESP Fit Center **** is at 3.249201 -3.481944 3.127383 ESP Fit Center **** is at 3.622225 -3.675229 3.127383 ESP Fit Center **** is at 4.033564 -3.760706 3.127383 ESP Fit Center **** is at 4.452710 -3.732036 3.127383 ESP Fit Center **** is at 4.848578 -3.591344 3.127383 ESP Fit Center **** is at 5.191809 -3.349066 3.127383 ESP Fit Center **** is at 5.456945 -3.023169 3.127383 ESP Fit Center **** is at 5.624324 -2.637825 3.127383 ESP Fit Center **** is at 2.877181 -3.558894 2.831567 ESP Fit Center **** is at 3.219587 -3.813806 2.831567 ESP Fit Center **** is at 3.611551 -3.982882 2.831567 ESP Fit Center **** is at 4.031941 -4.057008 2.831567 ESP Fit Center **** is at 4.458094 -4.032188 2.831567 ESP Fit Center **** is at 4.867036 -3.909759 2.831567 ESP Fit Center **** is at 5.236720 -3.696321 2.831567 ESP Fit Center **** is at 5.547218 -3.403382 2.831567 ESP Fit Center **** is at 5.781790 -3.046733 2.831567 ESP Fit Center **** is at 3.223498 -4.087664 2.488876 ESP Fit Center **** is at 3.617869 -4.233723 2.488876 ESP Fit Center **** is at 4.033568 -4.297406 2.488876 ESP Fit Center **** is at 4.453577 -4.276105 2.488876 ESP Fit Center **** is at 4.860701 -4.170693 2.488876 ESP Fit Center **** is at 5.238271 -3.985486 2.488876 ESP Fit Center **** is at 5.570831 -3.728066 2.488876 ESP Fit Center **** is at 5.844765 -3.408971 2.488876 ESP Fit Center **** is at 3.401216 -4.352837 2.109725 ESP Fit Center **** is at 3.817883 -4.453919 2.109725 ESP Fit Center **** is at 4.246150 -4.474320 2.109725 ESP Fit Center **** is at 4.670539 -4.413302 2.109725 ESP Fit Center **** is at 5.075710 -4.273071 2.109725 ESP Fit Center **** is at 5.447021 -4.058695 2.109725 ESP Fit Center **** is at 5.771051 -3.777921 2.109725 ESP Fit Center **** is at 3.209911 -4.394952 1.705632 ESP Fit Center **** is at 3.612904 -4.525892 1.705632 ESP Fit Center **** is at 4.032801 -4.582771 1.705632 ESP Fit Center **** is at 4.456106 -4.563760 1.705632 ESP Fit Center **** is at 4.869214 -4.469471 1.705632 ESP Fit Center **** is at 5.258847 -4.302934 1.705632 ESP Fit Center **** is at 5.612483 -4.069501 1.705632 ESP Fit Center **** is at 5.918754 -3.776676 1.705632 ESP Fit Center **** is at 3.722085 -4.585151 1.288876 ESP Fit Center **** is at 4.138840 -4.621612 1.288876 ESP Fit Center **** is at 4.555596 -4.585151 1.288876 ESP Fit Center **** is at 4.959689 -4.476875 1.288876 ESP Fit Center **** is at 5.338840 -4.300073 1.288876 ESP Fit Center **** is at 5.681531 -4.060119 1.288876 ESP Fit Center **** is at 3.612904 -4.525892 0.872121 ESP Fit Center **** is at 4.032801 -4.582771 0.872121 ESP Fit Center **** is at 4.456106 -4.563760 0.872121 ESP Fit Center **** is at 4.869214 -4.469471 0.872121 ESP Fit Center **** is at 5.258847 -4.302934 0.872121 ESP Fit Center **** is at 3.817883 -4.453919 0.468028 ESP Fit Center **** is at 4.246150 -4.474320 0.468028 ESP Fit Center **** is at 4.670539 -4.413302 0.468028 ESP Fit Center **** is at 6.489570 -1.516157 3.434273 ESP Fit Center **** is at 6.906326 -1.516157 3.397811 ESP Fit Center **** is at 6.697948 -1.155236 3.397811 ESP Fit Center **** is at 6.281192 -1.877078 3.397811 ESP Fit Center **** is at 6.697948 -1.877078 3.397811 ESP Fit Center **** is at 7.310418 -1.516157 3.289535 ESP Fit Center **** is at 7.200446 -1.105733 3.289535 ESP Fit Center **** is at 6.899994 -0.805281 3.289535 ESP Fit Center **** is at 6.079146 -2.227032 3.289535 ESP Fit Center **** is at 6.489570 -2.337005 3.289535 ESP Fit Center **** is at 6.899994 -2.227032 3.289535 ESP Fit Center **** is at 7.200446 -1.926581 3.289535 ESP Fit Center **** is at 7.689570 -1.516157 3.112734 ESP Fit Center **** is at 7.617201 -1.105733 3.112734 ESP Fit Center **** is at 7.408823 -0.744812 3.112734 ESP Fit Center **** is at 5.889570 -2.555387 3.112734 ESP Fit Center **** is at 6.281192 -2.697926 3.112734 ESP Fit Center **** is at 6.697948 -2.697926 3.112734 ESP Fit Center **** is at 7.089570 -2.555387 3.112734 ESP Fit Center **** is at 7.408823 -2.287502 3.112734 ESP Fit Center **** is at 7.617201 -1.926581 3.112734 ESP Fit Center **** is at 8.032260 -1.516157 2.872779 ESP Fit Center **** is at 7.975053 -1.099944 2.872779 ESP Fit Center **** is at 7.807674 -0.714600 2.872779 ESP Fit Center **** is at 7.542538 -0.388703 2.872779 ESP Fit Center **** is at 5.972954 -2.969774 2.872779 ESP Fit Center **** is at 6.384293 -3.055251 2.872779 ESP Fit Center **** is at 6.803440 -3.026580 2.872779 ESP Fit Center **** is at 7.199308 -2.885889 2.872779 ESP Fit Center **** is at 7.542538 -2.643610 2.872779 ESP Fit Center **** is at 7.807674 -2.317714 2.872779 ESP Fit Center **** is at 7.975053 -1.932370 2.872779 ESP Fit Center **** is at 8.328077 -1.516157 2.576963 ESP Fit Center **** is at 8.278519 -1.092168 2.576963 ESP Fit Center **** is at 8.132520 -0.691036 2.576963 ESP Fit Center **** is at 7.897948 -0.334387 2.576963 ESP Fit Center **** is at 5.962280 -3.277427 2.576963 ESP Fit Center **** is at 6.382670 -3.351553 2.576963 ESP Fit Center **** is at 6.808823 -3.326732 2.576963 ESP Fit Center **** is at 7.217765 -3.204303 2.576963 ESP Fit Center **** is at 7.587450 -2.990866 2.576963 ESP Fit Center **** is at 7.897948 -2.697926 2.576963 ESP Fit Center **** is at 8.132520 -2.341277 2.576963 ESP Fit Center **** is at 8.278519 -1.940146 2.576963 ESP Fit Center **** is at 8.568031 -1.516157 2.234273 ESP Fit Center **** is at 8.525485 -1.097766 2.234273 ESP Fit Center **** is at 8.399588 -0.696504 2.234273 ESP Fit Center **** is at 8.195495 -0.328798 2.234273 ESP Fit Center **** is at 5.968598 -3.528267 2.234273 ESP Fit Center **** is at 6.384298 -3.591950 2.234273 ESP Fit Center **** is at 6.804307 -3.570650 2.234273 ESP Fit Center **** is at 7.211430 -3.465238 2.234273 ESP Fit Center **** is at 7.589001 -3.280031 2.234273 ESP Fit Center **** is at 7.921561 -3.022610 2.234273 ESP Fit Center **** is at 8.195495 -2.703515 2.234273 ESP Fit Center **** is at 8.399588 -2.335810 2.234273 ESP Fit Center **** is at 8.525485 -1.934548 2.234273 ESP Fit Center **** is at 8.744832 -1.516157 1.855121 ESP Fit Center **** is at 8.704077 -1.089346 1.855121 ESP Fit Center **** is at 8.583283 -0.677960 1.855121 ESP Fit Center **** is at 8.386817 -0.296870 1.855121 ESP Fit Center **** is at 6.168613 -3.748464 1.855121 ESP Fit Center **** is at 6.596880 -3.768865 1.855121 ESP Fit Center **** is at 7.021268 -3.707847 1.855121 ESP Fit Center **** is at 7.426440 -3.567616 1.855121 ESP Fit Center **** is at 7.797750 -3.353239 1.855121 ESP Fit Center **** is at 8.121780 -3.072466 1.855121 ESP Fit Center **** is at 8.386817 -2.735444 1.855121 ESP Fit Center **** is at 8.583283 -2.354353 1.855121 ESP Fit Center **** is at 8.704077 -1.942968 1.855121 ESP Fit Center **** is at 8.853109 -1.516157 1.451028 ESP Fit Center **** is at 8.815126 -1.094131 1.451028 ESP Fit Center **** is at 8.702397 -0.685669 1.451028 ESP Fit Center **** is at 8.518547 -0.303900 1.451028 ESP Fit Center **** is at 6.383530 -3.877315 1.451028 ESP Fit Center **** is at 6.806835 -3.858305 1.451028 ESP Fit Center **** is at 7.219944 -3.764016 1.451028 ESP Fit Center **** is at 7.609577 -3.597478 1.451028 ESP Fit Center **** is at 7.963212 -3.364046 1.451028 ESP Fit Center **** is at 8.269483 -3.071220 1.451028 ESP Fit Center **** is at 8.518547 -2.728414 1.451028 ESP Fit Center **** is at 8.702397 -2.346645 1.451028 ESP Fit Center **** is at 8.815126 -1.938183 1.451028 ESP Fit Center **** is at 8.889570 -1.516157 1.034273 ESP Fit Center **** is at 8.853109 -1.099401 1.034273 ESP Fit Center **** is at 8.744832 -0.695308 1.034273 ESP Fit Center **** is at 6.489570 -3.916157 1.034273 ESP Fit Center **** is at 6.906326 -3.879695 1.034273 ESP Fit Center **** is at 7.310418 -3.771419 1.034273 ESP Fit Center **** is at 7.689570 -3.594618 1.034273 ESP Fit Center **** is at 8.032260 -3.354663 1.034273 ESP Fit Center **** is at 8.328077 -3.058847 1.034273 ESP Fit Center **** is at 8.568031 -2.716157 1.034273 ESP Fit Center **** is at 8.744832 -2.337005 1.034273 ESP Fit Center **** is at 8.853109 -1.932912 1.034273 ESP Fit Center **** is at 8.853109 -1.516157 0.617517 ESP Fit Center **** is at 8.815126 -1.094131 0.617517 ESP Fit Center **** is at 6.806835 -3.858305 0.617517 ESP Fit Center **** is at 7.219944 -3.764016 0.617517 ESP Fit Center **** is at 7.609577 -3.597478 0.617517 ESP Fit Center **** is at 7.963212 -3.364046 0.617517 ESP Fit Center **** is at 8.269483 -3.071220 0.617517 ESP Fit Center **** is at 8.518547 -2.728414 0.617517 ESP Fit Center **** is at 8.702397 -2.346645 0.617517 ESP Fit Center **** is at 8.815126 -1.938183 0.617517 ESP Fit Center **** is at 8.744832 -1.516157 0.213424 ESP Fit Center **** is at 7.021268 -3.707847 0.213424 ESP Fit Center **** is at 7.426440 -3.567616 0.213424 ESP Fit Center **** is at 7.797750 -3.353239 0.213424 ESP Fit Center **** is at 8.121780 -3.072466 0.213424 ESP Fit Center **** is at 8.386817 -2.735444 0.213424 ESP Fit Center **** is at 8.583283 -2.354353 0.213424 ESP Fit Center **** is at 8.704077 -1.942968 0.213424 ESP Fit Center **** is at 7.589001 -3.280031 -0.165727 ESP Fit Center **** is at 7.921561 -3.022610 -0.165727 ESP Fit Center **** is at 8.195495 -2.703515 -0.165727 ESP Fit Center **** is at 8.399588 -2.335810 -0.165727 ESP Fit Center **** is at 8.525485 -1.934548 -0.165727 ESP Fit Center **** is at 8.589506 0.379375 1.400411 ESP Fit Center **** is at 8.532299 0.795587 1.400411 ESP Fit Center **** is at 8.364921 1.180932 1.400411 ESP Fit Center **** is at 8.099784 1.506828 1.400411 ESP Fit Center **** is at 8.532299 -0.036838 1.400411 ESP Fit Center **** is at 8.885323 0.379375 1.104594 ESP Fit Center **** is at 8.835766 0.803363 1.104594 ESP Fit Center **** is at 8.689766 1.204495 1.104594 ESP Fit Center **** is at 8.455194 1.561144 1.104594 ESP Fit Center **** is at 8.144696 1.854083 1.104594 ESP Fit Center **** is at 7.775011 2.067521 1.104594 ESP Fit Center **** is at 8.689766 -0.445746 1.104594 ESP Fit Center **** is at 8.835766 -0.044614 1.104594 ESP Fit Center **** is at 9.125277 0.379375 0.761904 ESP Fit Center **** is at 9.082731 0.797766 0.761904 ESP Fit Center **** is at 8.956834 1.199028 0.761904 ESP Fit Center **** is at 8.752741 1.566733 0.761904 ESP Fit Center **** is at 8.478807 1.885828 0.761904 ESP Fit Center **** is at 8.146247 2.143249 0.761904 ESP Fit Center **** is at 7.768677 2.328456 0.761904 ESP Fit Center **** is at 8.956834 -0.440279 0.761904 ESP Fit Center **** is at 9.082731 -0.039016 0.761904 ESP Fit Center **** is at 9.302078 0.379375 0.382752 ESP Fit Center **** is at 9.261323 0.806186 0.382752 ESP Fit Center **** is at 9.140529 1.217571 0.382752 ESP Fit Center **** is at 8.944064 1.598661 0.382752 ESP Fit Center **** is at 8.679026 1.935684 0.382752 ESP Fit Center **** is at 8.354997 2.216457 0.382752 ESP Fit Center **** is at 7.983686 2.430833 0.382752 ESP Fit Center **** is at 7.578514 2.571065 0.382752 ESP Fit Center **** is at 8.944064 -0.839912 0.382752 ESP Fit Center **** is at 9.140529 -0.458822 0.382752 ESP Fit Center **** is at 9.261323 -0.047437 0.382752 ESP Fit Center **** is at 9.410355 0.379375 -0.021341 ESP Fit Center **** is at 9.372372 0.801401 -0.021341 ESP Fit Center **** is at 9.259643 1.209863 -0.021341 ESP Fit Center **** is at 9.075793 1.591632 -0.021341 ESP Fit Center **** is at 8.826730 1.934438 -0.021341 ESP Fit Center **** is at 8.520458 2.227264 -0.021341 ESP Fit Center **** is at 8.166823 2.460696 -0.021341 ESP Fit Center **** is at 7.777190 2.627233 -0.021341 ESP Fit Center **** is at 8.826730 -1.175689 -0.021341 ESP Fit Center **** is at 9.075793 -0.832883 -0.021341 ESP Fit Center **** is at 9.259643 -0.451113 -0.021341 ESP Fit Center **** is at 9.372372 -0.042651 -0.021341 ESP Fit Center **** is at 9.446816 0.379375 -0.438096 ESP Fit Center **** is at 9.410355 0.796130 -0.438096 ESP Fit Center **** is at 9.302078 1.200223 -0.438096 ESP Fit Center **** is at 9.125277 1.579375 -0.438096 ESP Fit Center **** is at 8.885323 1.922065 -0.438096 ESP Fit Center **** is at 8.589506 2.217881 -0.438096 ESP Fit Center **** is at 8.246816 2.457836 -0.438096 ESP Fit Center **** is at 7.867665 2.634637 -0.438096 ESP Fit Center **** is at 7.463572 2.742913 -0.438096 ESP Fit Center **** is at 8.885323 -1.163316 -0.438096 ESP Fit Center **** is at 9.125277 -0.820625 -0.438096 ESP Fit Center **** is at 9.302078 -0.441474 -0.438096 ESP Fit Center **** is at 9.410355 -0.037381 -0.438096 ESP Fit Center **** is at 9.410355 0.379375 -0.854852 ESP Fit Center **** is at 9.372372 0.801401 -0.854852 ESP Fit Center **** is at 9.259643 1.209863 -0.854852 ESP Fit Center **** is at 9.075793 1.591632 -0.854852 ESP Fit Center **** is at 8.826730 1.934438 -0.854852 ESP Fit Center **** is at 8.520458 2.227264 -0.854852 ESP Fit Center **** is at 8.166823 2.460696 -0.854852 ESP Fit Center **** is at 7.777190 2.627233 -0.854852 ESP Fit Center **** is at 7.364082 2.721523 -0.854852 ESP Fit Center **** is at 8.826730 -1.175689 -0.854852 ESP Fit Center **** is at 9.075793 -0.832883 -0.854852 ESP Fit Center **** is at 9.259643 -0.451113 -0.854852 ESP Fit Center **** is at 9.372372 -0.042651 -0.854852 ESP Fit Center **** is at 9.302078 0.379375 -1.258945 ESP Fit Center **** is at 9.261323 0.806186 -1.258945 ESP Fit Center **** is at 9.140529 1.217571 -1.258945 ESP Fit Center **** is at 8.944064 1.598661 -1.258945 ESP Fit Center **** is at 8.679026 1.935684 -1.258945 ESP Fit Center **** is at 8.354997 2.216457 -1.258945 ESP Fit Center **** is at 7.983686 2.430833 -1.258945 ESP Fit Center **** is at 7.578514 2.571065 -1.258945 ESP Fit Center **** is at 8.679026 -1.176935 -1.258945 ESP Fit Center **** is at 8.944064 -0.839912 -1.258945 ESP Fit Center **** is at 9.140529 -0.458822 -1.258945 ESP Fit Center **** is at 9.261323 -0.047437 -1.258945 ESP Fit Center **** is at 9.125277 0.379375 -1.638096 ESP Fit Center **** is at 9.082731 0.797766 -1.638096 ESP Fit Center **** is at 8.956834 1.199028 -1.638096 ESP Fit Center **** is at 8.752741 1.566733 -1.638096 ESP Fit Center **** is at 8.478807 1.885828 -1.638096 ESP Fit Center **** is at 8.146247 2.143249 -1.638096 ESP Fit Center **** is at 7.768677 2.328456 -1.638096 ESP Fit Center **** is at 8.478807 -1.127079 -1.638096 ESP Fit Center **** is at 8.752741 -0.807984 -1.638096 ESP Fit Center **** is at 8.956834 -0.440279 -1.638096 ESP Fit Center **** is at 9.082731 -0.039016 -1.638096 ESP Fit Center **** is at 8.885323 0.379375 -1.980786 ESP Fit Center **** is at 8.835766 0.803363 -1.980786 ESP Fit Center **** is at 8.689766 1.204495 -1.980786 ESP Fit Center **** is at 8.455194 1.561144 -1.980786 ESP Fit Center **** is at 8.144696 1.854083 -1.980786 ESP Fit Center **** is at 7.775011 2.067521 -1.980786 ESP Fit Center **** is at 8.455194 -0.802395 -1.980786 ESP Fit Center **** is at 8.689766 -0.445746 -1.980786 ESP Fit Center **** is at 8.835766 -0.044614 -1.980786 ESP Fit Center **** is at 8.589506 0.379375 -2.276603 ESP Fit Center **** is at 8.532299 0.795587 -2.276603 ESP Fit Center **** is at 8.364921 1.180932 -2.276603 ESP Fit Center **** is at 8.099784 1.506828 -2.276603 ESP Fit Center **** is at 7.756554 1.749107 -2.276603 ESP Fit Center **** is at 8.364921 -0.422182 -2.276603 ESP Fit Center **** is at 8.532299 -0.036838 -2.276603 ESP Fit Center **** is at 8.246816 0.379375 -2.516557 ESP Fit Center **** is at 8.174447 0.789799 -2.516557 ESP Fit Center **** is at 7.966069 1.150720 -2.516557 ESP Fit Center **** is at 7.646816 1.418605 -2.516557 ESP Fit Center **** is at 8.174447 -0.031050 -2.516557 ESP Fit Center **** is at 7.867665 0.379375 -2.693358 ESP Fit Center **** is at 7.757692 0.789799 -2.693358 ESP Fit Center **** is at 6.891277 3.116620 -0.830582 ESP Fit Center **** is at 6.567248 3.397394 -0.830582 ESP Fit Center **** is at 6.195937 3.611770 -0.830582 ESP Fit Center **** is at 5.790766 3.752001 -0.830582 ESP Fit Center **** is at 5.366377 3.813019 -0.830582 ESP Fit Center **** is at 4.938110 3.792618 -0.830582 ESP Fit Center **** is at 7.288044 2.772568 -1.234675 ESP Fit Center **** is at 7.038981 3.115375 -1.234675 ESP Fit Center **** is at 6.732709 3.408200 -1.234675 ESP Fit Center **** is at 6.379074 3.641633 -1.234675 ESP Fit Center **** is at 5.989441 3.808170 -1.234675 ESP Fit Center **** is at 5.576333 3.902459 -1.234675 ESP Fit Center **** is at 5.153028 3.921470 -1.234675 ESP Fit Center **** is at 4.733130 3.864591 -1.234675 ESP Fit Center **** is at 4.330137 3.733651 -1.234675 ESP Fit Center **** is at 7.337528 2.760311 -1.651431 ESP Fit Center **** is at 7.097574 3.103001 -1.651431 ESP Fit Center **** is at 6.801758 3.398818 -1.651431 ESP Fit Center **** is at 6.459067 3.638772 -1.651431 ESP Fit Center **** is at 6.079916 3.815573 -1.651431 ESP Fit Center **** is at 5.675823 3.923850 -1.651431 ESP Fit Center **** is at 5.259067 3.960311 -1.651431 ESP Fit Center **** is at 4.842312 3.923850 -1.651431 ESP Fit Center **** is at 4.438219 3.815573 -1.651431 ESP Fit Center **** is at 4.059067 3.638772 -1.651431 ESP Fit Center **** is at 3.716377 3.398818 -1.651431 ESP Fit Center **** is at 7.471895 2.390799 -2.068186 ESP Fit Center **** is at 7.288044 2.772568 -2.068186 ESP Fit Center **** is at 7.038981 3.115375 -2.068186 ESP Fit Center **** is at 6.732709 3.408200 -2.068186 ESP Fit Center **** is at 6.379074 3.641633 -2.068186 ESP Fit Center **** is at 5.989441 3.808170 -2.068186 ESP Fit Center **** is at 5.576333 3.902459 -2.068186 ESP Fit Center **** is at 5.153028 3.921470 -2.068186 ESP Fit Center **** is at 4.733130 3.864591 -2.068186 ESP Fit Center **** is at 4.330137 3.733651 -2.068186 ESP Fit Center **** is at 3.957001 3.532857 -2.068186 ESP Fit Center **** is at 3.625714 3.268665 -2.068186 ESP Fit Center **** is at 7.473574 1.987122 -2.472279 ESP Fit Center **** is at 7.352780 2.398507 -2.472279 ESP Fit Center **** is at 7.156315 2.779598 -2.472279 ESP Fit Center **** is at 6.891277 3.116620 -2.472279 ESP Fit Center **** is at 6.567248 3.397394 -2.472279 ESP Fit Center **** is at 6.195937 3.611770 -2.472279 ESP Fit Center **** is at 5.790766 3.752001 -2.472279 ESP Fit Center **** is at 5.366377 3.813019 -2.472279 ESP Fit Center **** is at 4.938110 3.792618 -2.472279 ESP Fit Center **** is at 4.521443 3.691536 -2.472279 ESP Fit Center **** is at 4.131436 3.513426 -2.472279 ESP Fit Center **** is at 3.782185 3.264725 -2.472279 ESP Fit Center **** is at 3.486311 2.954422 -2.472279 ESP Fit Center **** is at 7.337528 1.560311 -2.851431 ESP Fit Center **** is at 7.294982 1.978702 -2.851431 ESP Fit Center **** is at 7.169085 2.379964 -2.851431 ESP Fit Center **** is at 6.964992 2.747670 -2.851431 ESP Fit Center **** is at 6.691058 3.066765 -2.851431 ESP Fit Center **** is at 6.358498 3.324185 -2.851431 ESP Fit Center **** is at 5.980928 3.509392 -2.851431 ESP Fit Center **** is at 5.573804 3.614804 -2.851431 ESP Fit Center **** is at 5.153795 3.636104 -2.851431 ESP Fit Center **** is at 4.738096 3.572422 -2.851431 ESP Fit Center **** is at 4.343725 3.426363 -2.851431 ESP Fit Center **** is at 3.986829 3.203908 -2.851431 ESP Fit Center **** is at 3.682018 2.914163 -2.851431 ESP Fit Center **** is at 7.097574 1.560311 -3.194121 ESP Fit Center **** is at 7.048017 1.984300 -3.194121 ESP Fit Center **** is at 6.902017 2.385431 -3.194121 ESP Fit Center **** is at 6.667445 2.742080 -3.194121 ESP Fit Center **** is at 6.356947 3.035020 -3.194121 ESP Fit Center **** is at 5.987263 3.248458 -3.194121 ESP Fit Center **** is at 5.578321 3.370887 -3.194121 ESP Fit Center **** is at 5.152168 3.395707 -3.194121 ESP Fit Center **** is at 4.731778 3.321581 -3.194121 ESP Fit Center **** is at 4.339814 3.152505 -3.194121 ESP Fit Center **** is at 3.997407 2.897592 -3.194121 ESP Fit Center **** is at 3.723017 2.570587 -3.194121 ESP Fit Center **** is at 7.048017 1.136322 -3.194121 ESP Fit Center **** is at 6.801758 1.560311 -3.489937 ESP Fit Center **** is at 6.744550 1.976524 -3.489937 ESP Fit Center **** is at 6.577172 2.361868 -3.489937 ESP Fit Center **** is at 6.312035 2.687765 -3.489937 ESP Fit Center **** is at 5.968805 2.930043 -3.489937 ESP Fit Center **** is at 5.572937 3.070735 -3.489937 ESP Fit Center **** is at 5.153790 3.099405 -3.489937 ESP Fit Center **** is at 4.742452 3.013928 -3.489937 ESP Fit Center **** is at 4.369428 2.820643 -3.489937 ESP Fit Center **** is at 4.062385 2.533884 -3.489937 ESP Fit Center **** is at 3.844094 2.174921 -3.489937 ESP Fit Center **** is at 6.744550 1.144098 -3.489937 ESP Fit Center **** is at 6.459067 1.560311 -3.729892 ESP Fit Center **** is at 6.386698 1.970735 -3.729892 ESP Fit Center **** is at 6.178321 2.331656 -3.729892 ESP Fit Center **** is at 5.859067 2.599542 -3.729892 ESP Fit Center **** is at 5.467445 2.742080 -3.729892 ESP Fit Center **** is at 5.050689 2.742080 -3.729892 ESP Fit Center **** is at 4.659067 2.599542 -3.729892 ESP Fit Center **** is at 4.339814 2.331656 -3.729892 ESP Fit Center **** is at 4.131436 1.970735 -3.729892 ESP Fit Center **** is at 4.059067 1.560311 -3.729892 ESP Fit Center **** is at 6.386698 1.149887 -3.729892 ESP Fit Center **** is at 6.079916 1.560311 -3.906693 ESP Fit Center **** is at 5.969943 1.970735 -3.906693 ESP Fit Center **** is at 5.669491 2.271187 -3.906693 ESP Fit Center **** is at 5.259067 2.381159 -3.906693 ESP Fit Center **** is at 4.848643 2.271187 -3.906693 ESP Fit Center **** is at 4.548192 1.970735 -3.906693 ESP Fit Center **** is at 4.438219 1.560311 -3.906693 ESP Fit Center **** is at 5.969943 1.149887 -3.906693 ESP Fit Center **** is at 5.675823 1.560311 -4.014969 ESP Fit Center **** is at 5.467445 1.921232 -4.014969 ESP Fit Center **** is at 5.050689 1.921232 -4.014969 ESP Fit Center **** is at 4.842312 1.560311 -4.014969 ESP Fit Center **** is at 5.050689 1.199390 -4.014969 ESP Fit Center **** is at 5.467445 1.199390 -4.014969 ESP Fit Center **** is at 5.259067 1.560311 -4.051431 ESP Fit Center **** is at 3.464193 3.058719 -2.212107 ESP Fit Center **** is at 3.247231 2.921522 -2.591258 ESP Fit Center **** is at 3.251748 2.677605 -2.933948 ESP Fit Center **** is at 2.825595 2.702426 -2.933948 ESP Fit Center **** is at 1.670835 -0.470252 -2.933948 ESP Fit Center **** is at 3.246364 2.377453 -3.229765 ESP Fit Center **** is at 2.827218 2.406123 -3.229765 ESP Fit Center **** is at 1.517522 0.252420 -3.229765 ESP Fit Center **** is at 1.735812 -0.106544 -3.229765 ESP Fit Center **** is at 2.042856 -0.393302 -3.229765 ESP Fit Center **** is at 3.532495 1.906260 -3.469719 ESP Fit Center **** is at 3.140873 2.048799 -3.469719 ESP Fit Center **** is at 2.724117 2.048799 -3.469719 ESP Fit Center **** is at 2.332495 1.906260 -3.469719 ESP Fit Center **** is at 2.013241 1.638375 -3.469719 ESP Fit Center **** is at 1.732495 0.867029 -3.469719 ESP Fit Center **** is at 1.804864 0.456605 -3.469719 ESP Fit Center **** is at 2.013241 0.095684 -3.469719 ESP Fit Center **** is at 2.332495 -0.172201 -3.469719 ESP Fit Center **** is at 3.342919 1.577905 -3.646520 ESP Fit Center **** is at 2.932495 1.687878 -3.646520 ESP Fit Center **** is at 2.522071 1.577905 -3.646520 ESP Fit Center **** is at 2.221619 1.277454 -3.646520 ESP Fit Center **** is at 2.111646 0.867029 -3.646520 ESP Fit Center **** is at 2.221619 0.456605 -3.646520 ESP Fit Center **** is at 2.522071 0.156154 -3.646520 ESP Fit Center **** is at 3.140873 1.227950 -3.754797 ESP Fit Center **** is at 2.724117 1.227950 -3.754797 ESP Fit Center **** is at 2.515739 0.867029 -3.754797 ESP Fit Center **** is at 2.724117 0.506108 -3.754797 ESP Fit Center **** is at 2.932495 0.867029 -3.791258 Entering OneElI... OneElI was handed 2147264762 working-precision words. Calculate electrostatic properties NBasis = 339 MinDer = 0 MaxDer = 0 NGrid = 10481 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 2 Levels= 1 BoxLen= 24.34 SMaxX= 24.97 Shift= 11.651881 5.207482 3.120751 Box 1 Number 0 centers from 1 to 110: Box 2 Number 4 centers from 111 to 112: ShPair: Thresh= 1.00D-06 NBox= 2 BxSize= 2.43D+01 RnKept= 1.34D+01 NSMCal= 6328 NSMKep= 2540 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 26621740 NTPThr= 100 NPartT= 12 Incr= 512 LDynOK=F GPUOK=F. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=2 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178694128 working-precision words and 2540 shell-pairs PRISM was handed 178694128 working-precision words and 2540 shell-pairs PRISM was handed 178694128 working-precision words and 2540 shell-pairs PRISM was handed 178694128 working-precision words and 2540 shell-pairs PRISM was handed 178694128 working-precision words and 2540 shell-pairs PRISM was handed 178694128 working-precision words and 2540 shell-pairs PRISM was handed 178694128 working-precision words and 2540 shell-pairs PRISM was handed 178694128 working-precision words and 2540 shell-pairs PRISM was handed 178694128 working-precision words and 2540 shell-pairs PRISM was handed 178694128 working-precision words and 2540 shell-pairs PRISM was handed 178694128 working-precision words and 2540 shell-pairs PRISM was handed 178694128 working-precision words and 2540 shell-pairs IPart= 7 NShTot= 2117162 NBatch= 2104 AvBLen= 1006.3 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 2201010 NBatch= 2253 AvBLen= 976.9 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 2221972 NBatch= 2273 AvBLen= 977.6 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 2704098 NBatch= 3258 AvBLen= 830.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 10 NShTot= 1970428 NBatch= 1949 AvBLen= 1011.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 11 NShTot= 1938985 NBatch= 1928 AvBLen= 1005.7 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 8 NShTot= 2085719 NBatch= 2071 AvBLen= 1007.1 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 9 NShTot= 2012352 NBatch= 1995 AvBLen= 1008.7 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 2242934 NBatch= 2297 AvBLen= 976.5 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 2316301 NBatch= 2373 AvBLen= 976.1 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 2358225 NBatch= 2433 AvBLen= 969.3 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 2452554 NBatch= 2557 AvBLen= 959.2 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 10449 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00122 RRMS= 0.05456: ESP charges: 1 1 C 0.510384 2 C -0.437986 3 O -0.754750 4 N -0.753470 5 C 1.169570 6 N -0.861942 7 C 0.993730 8 O -0.635433 9 N -0.480754 10 C 0.525515 11 C -0.844842 12 H 0.039250 13 H 0.141465 14 H 0.108094 15 H 0.302761 16 C 0.754305 17 H 0.144678 18 Br 0.022969 19 H 0.118005 20 H 0.476590 21 O -0.526362 22 C -0.075387 23 C -0.139331 24 C -0.117973 25 C -0.114624 26 C -0.154900 27 C -0.107550 28 H 0.152779 29 H 0.137071 30 H 0.139751 31 H 0.144648 32 H 0.123740 Sum of ESP charges = -0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.549634 2 C -0.070422 3 O -0.278160 4 N -0.450709 5 C 1.169570 6 N -0.861942 7 C 0.993730 8 O -0.635433 9 N -0.480754 10 C 0.670192 11 C -0.844842 16 C 0.754305 18 Br 0.022969 21 O -0.526362 22 C -0.075387 23 C 0.013448 24 C 0.019098 25 C 0.025127 26 C -0.010251 27 C 0.016190 Charge= -0.00000 Dipole= -1.0354 6.2388 0.1748 Tot= 6.3265 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.605227 2 Atom -14.724831 3 Atom -22.273989 4 Atom -18.281854 5 Atom -14.590286 6 Atom -18.361986 7 Atom -14.578266 8 Atom -22.360111 9 Atom -18.263250 10 Atom -14.630201 11 Atom -14.653030 12 Atom -1.101313 13 Atom -1.104134 14 Atom -1.096995 15 Atom -0.982116 16 Atom -14.589545 17 Atom -1.041436 18 Atom -175.312952 19 Atom -1.101487 20 Atom -0.952410 21 Atom -22.335990 22 Atom -14.705983 23 Atom -14.714970 24 Atom -14.717111 25 Atom -14.711141 26 Atom -14.714153 27 Atom -14.705560 28 Atom -1.098360 29 Atom -1.095570 30 Atom -1.091335 31 Atom -1.091719 32 Atom -1.081836 33 Fit 0.041795 34 Fit 0.051230 35 Fit 0.007318 36 Fit 0.002102 37 Fit 0.000759 38 Fit 0.008792 39 Fit 0.008135 40 Fit 0.011317 41 Fit 0.009516 42 Fit 0.008227 43 Fit 0.007226 44 Fit 0.012732 45 Fit 0.011356 46 Fit 0.009829 47 Fit 0.008479 48 Fit 0.008907 49 Fit 0.014474 50 Fit 0.010800 51 Fit 0.008852 52 Fit 0.010022 53 Fit 0.008358 54 Fit 0.012879 55 Fit 0.008224 56 Fit 0.021353 57 Fit 0.017643 58 Fit 0.024635 59 Fit 0.029424 60 Fit 0.005951 61 Fit 0.005495 62 Fit -0.001249 63 Fit 0.009152 64 Fit 0.000803 65 Fit 0.026192 66 Fit 0.018997 67 Fit 0.009044 68 Fit 0.008007 69 Fit 0.006002 70 Fit 0.002623 71 Fit 0.006553 72 Fit 0.014721 73 Fit 0.023827 74 Fit 0.005413 75 Fit -0.000002 76 Fit 0.002323 77 Fit 0.009884 78 Fit 0.020638 79 Fit 0.000902 80 Fit -0.001399 81 Fit 0.003349 82 Fit 0.013171 83 Fit -0.002449 84 Fit -0.001322 85 Fit 0.005535 86 Fit 0.017060 87 Fit -0.004231 88 Fit -0.002735 89 Fit 0.004255 90 Fit 0.015992 91 Fit -0.004711 92 Fit -0.006837 93 Fit -0.003276 94 Fit 0.005082 95 Fit 0.017977 96 Fit -0.007452 97 Fit -0.010233 98 Fit -0.008327 99 Fit -0.001991 100 Fit 0.008535 101 Fit -0.008278 102 Fit -0.012700 103 Fit -0.014016 104 Fit -0.011392 105 Fit -0.004614 106 Fit 0.006245 107 Fit -0.006176 108 Fit -0.009751 109 Fit -0.013779 110 Fit -0.016768 111 Fit -0.017305 112 Fit -0.014450 113 Fit -0.007808 114 Fit 0.002564 115 Fit -0.013084 116 Fit -0.016929 117 Fit -0.019248 118 Fit -0.018769 119 Fit -0.014408 120 Fit -0.005896 121 Fit 0.006118 122 Fit 0.024371 123 Fit 0.017728 124 Fit -0.001179 125 Fit -0.007920 126 Fit -0.015898 127 Fit -0.018886 128 Fit -0.018252 129 Fit -0.012883 130 Fit -0.003214 131 Fit 0.007885 132 Fit 0.015097 133 Fit 0.009712 134 Fit 0.003059 135 Fit -0.003790 136 Fit -0.010496 137 Fit -0.014610 138 Fit -0.014921 139 Fit -0.007170 140 Fit 0.000811 141 Fit -0.000782 142 Fit -0.008146 143 Fit -0.009075 144 Fit 0.001453 145 Fit 0.005742 146 Fit 0.005541 147 Fit 0.004179 148 Fit 0.001669 149 Fit -0.002587 150 Fit 0.000636 151 Fit 0.012156 152 Fit -0.000122 153 Fit -0.007859 154 Fit 0.019575 155 Fit 0.018420 156 Fit 0.025128 157 Fit -0.017825 158 Fit -0.009564 159 Fit 0.014691 160 Fit 0.012997 161 Fit -0.009212 162 Fit -0.007834 163 Fit -0.001010 164 Fit 0.005717 165 Fit 0.004432 166 Fit 0.007630 167 Fit 0.006321 168 Fit 0.002176 169 Fit -0.003714 170 Fit -0.001655 171 Fit 0.001099 172 Fit 0.006919 173 Fit 0.005550 174 Fit 0.007732 175 Fit 0.002170 176 Fit 0.000591 177 Fit 0.009521 178 Fit 0.004638 179 Fit -0.004596 180 Fit -0.010584 181 Fit -0.008806 182 Fit 0.013903 183 Fit -0.023354 184 Fit 0.018667 185 Fit -0.015307 186 Fit 0.008815 187 Fit 0.013683 188 Fit 0.011155 189 Fit 0.010918 190 Fit 0.009217 191 Fit -0.006411 192 Fit 0.002593 193 Fit 0.008919 194 Fit 0.008837 195 Fit 0.004403 196 Fit -0.005881 197 Fit 0.002916 198 Fit -0.018250 199 Fit -0.023686 200 Fit -0.004149 201 Fit -0.010601 202 Fit -0.025009 203 Fit -0.033250 204 Fit -0.027723 205 Fit 0.006748 206 Fit 0.000038 207 Fit -0.013676 208 Fit -0.030128 209 Fit -0.043069 210 Fit -0.049287 211 Fit -0.044839 212 Fit -0.045536 213 Fit -0.057189 214 Fit -0.065333 215 Fit -0.067715 216 Fit -0.060402 217 Fit -0.070273 218 Fit -0.079904 219 Fit -0.071665 220 Fit -0.079350 221 Fit -0.089066 222 Fit -0.081711 223 Fit -0.085034 224 Fit -0.092096 225 Fit -0.090328 226 Fit -0.092059 227 Fit -0.098474 228 Fit -0.093367 229 Fit -0.093591 230 Fit -0.098077 231 Fit -0.093623 232 Fit -0.090737 233 Fit -0.092329 234 Fit -0.095362 235 Fit -0.085899 236 Fit -0.085210 237 Fit -0.085714 238 Fit -0.084387 239 Fit -0.078738 240 Fit -0.077136 241 Fit -0.076893 242 Fit -0.075178 243 Fit -0.069189 244 Fit -0.056206 245 Fit -0.035900 246 Fit -0.025267 247 Fit -0.065787 248 Fit -0.067096 249 Fit -0.066915 250 Fit -0.063333 251 Fit -0.054553 252 Fit -0.040604 253 Fit -0.029170 254 Fit -0.016621 255 Fit 0.009267 256 Fit -0.050740 257 Fit -0.055757 258 Fit -0.056370 259 Fit -0.051869 260 Fit -0.042006 261 Fit -0.029793 262 Fit -0.018343 263 Fit -0.008970 264 Fit -0.003290 265 Fit 0.000121 266 Fit -0.034430 267 Fit -0.043608 268 Fit -0.045402 269 Fit -0.040122 270 Fit -0.027727 271 Fit -0.016996 272 Fit -0.011390 273 Fit -0.015274 274 Fit -0.028222 275 Fit -0.034374 276 Fit -0.022982 277 Fit 0.004089 278 Fit -0.001609 279 Fit 0.009297 280 Fit 0.012048 281 Fit 0.007348 282 Fit -0.002420 283 Fit -0.007275 284 Fit 0.015237 285 Fit 0.010518 286 Fit 0.000350 287 Fit -0.011949 288 Fit -0.019157 289 Fit -0.021321 290 Fit -0.036103 291 Fit -0.037001 292 Fit -0.053560 293 Fit 0.010932 294 Fit -0.042308 295 Fit -0.016172 296 Fit -0.004414 297 Fit 0.004701 298 Fit 0.007221 299 Fit 0.005754 300 Fit 0.003107 301 Fit -0.005657 302 Fit -0.033338 303 Fit -0.025747 304 Fit -0.010432 305 Fit -0.000605 306 Fit 0.000780 307 Fit -0.007091 308 Fit -0.019090 309 Fit -0.019642 310 Fit -0.007982 311 Fit -0.026837 312 Fit -0.036352 313 Fit -0.040787 314 Fit -0.043600 315 Fit -0.050641 316 Fit -0.052774 317 Fit -0.048583 318 Fit -0.046472 319 Fit -0.054344 320 Fit -0.059628 321 Fit -0.062588 322 Fit -0.062452 323 Fit -0.057459 324 Fit -0.049082 325 Fit -0.056240 326 Fit -0.061857 327 Fit -0.066461 328 Fit -0.069998 329 Fit -0.072118 330 Fit -0.072277 331 Fit -0.045418 332 Fit -0.053261 333 Fit -0.059359 334 Fit -0.064644 335 Fit -0.069465 336 Fit -0.073806 337 Fit -0.077488 338 Fit -0.080398 339 Fit -0.082655 340 Fit -0.041812 341 Fit -0.049958 342 Fit -0.056154 343 Fit -0.061378 344 Fit -0.066206 345 Fit -0.070876 346 Fit -0.075376 347 Fit -0.079572 348 Fit -0.083394 349 Fit -0.087096 350 Fit -0.024394 351 Fit -0.038311 352 Fit -0.047480 353 Fit -0.054106 354 Fit -0.059414 355 Fit -0.064168 356 Fit -0.068783 357 Fit -0.073378 358 Fit -0.077867 359 Fit -0.082096 360 Fit -0.086035 361 Fit -0.090081 362 Fit -0.039051 363 Fit -0.048376 364 Fit -0.054896 365 Fit -0.060051 366 Fit -0.064665 367 Fit -0.069160 368 Fit -0.073643 369 Fit -0.078004 370 Fit -0.082048 371 Fit -0.085673 372 Fit -0.089136 373 Fit -0.093415 374 Fit -0.045145 375 Fit -0.052767 376 Fit -0.058373 377 Fit -0.063095 378 Fit -0.067519 379 Fit -0.071840 380 Fit -0.075979 381 Fit -0.079696 382 Fit -0.082749 383 Fit -0.085082 384 Fit -0.087034 385 Fit -0.042404 386 Fit -0.051282 387 Fit -0.057495 388 Fit -0.062503 389 Fit -0.067010 390 Fit -0.071203 391 Fit -0.074907 392 Fit -0.077738 393 Fit -0.079280 394 Fit -0.079215 395 Fit -0.039647 396 Fit -0.049299 397 Fit -0.055996 398 Fit -0.061184 399 Fit -0.065570 400 Fit -0.069275 401 Fit -0.071980 402 Fit -0.073098 403 Fit -0.071909 404 Fit -0.067462 405 Fit -0.050512 406 Fit -0.038442 407 Fit -0.048397 408 Fit -0.055467 409 Fit -0.060697 410 Fit -0.064513 411 Fit -0.066544 412 Fit -0.065824 413 Fit -0.061028 414 Fit -0.046635 415 Fit -0.019337 416 Fit -0.026934 417 Fit -0.037271 418 Fit -0.046986 419 Fit -0.054100 420 Fit -0.058517 421 Fit -0.059718 422 Fit -0.056238 423 Fit -0.044418 424 Fit -0.033068 425 Fit -0.032017 426 Fit -0.040507 427 Fit -0.049372 428 Fit -0.051772 429 Fit -0.042650 430 Fit 0.015804 431 Fit 0.015426 432 Fit 0.021796 433 Fit 0.013213 434 Fit 0.017648 435 Fit 0.012624 436 Fit 0.013726 437 Fit 0.015875 438 Fit 0.013177 439 Fit -0.000203 440 Fit 0.008640 441 Fit 0.007291 442 Fit 0.005718 443 Fit 0.002704 444 Fit -0.001564 445 Fit 0.004426 446 Fit 0.002881 447 Fit 0.001300 448 Fit 0.003943 449 Fit 0.004639 450 Fit 0.004300 451 Fit 0.002756 452 Fit 0.016326 453 Fit 0.022174 454 Fit 0.018762 455 Fit 0.013609 456 Fit 0.027057 457 Fit 0.027896 458 Fit 0.025209 459 Fit 0.020125 460 Fit 0.016570 461 Fit 0.013178 462 Fit 0.029549 463 Fit 0.031611 464 Fit 0.033165 465 Fit 0.017062 466 Fit 0.012710 467 Fit 0.008436 468 Fit -0.001499 469 Fit 0.018883 470 Fit 0.007383 471 Fit 0.010255 472 Fit 0.009033 473 Fit 0.004183 474 Fit 0.001211 475 Fit 0.011010 476 Fit 0.008369 477 Fit 0.008570 478 Fit 0.008510 479 Fit 0.006370 480 Fit 0.009040 481 Fit 0.008342 482 Fit 0.012787 483 Fit 0.011641 484 Fit 0.021097 485 Fit 0.013828 486 Fit 0.007828 487 Fit -0.009891 488 Fit 0.025359 489 Fit 0.015091 490 Fit 0.003875 491 Fit -0.010891 492 Fit 0.040090 493 Fit 0.029298 494 Fit 0.020154 495 Fit 0.010925 496 Fit -0.000009 497 Fit -0.014639 498 Fit 0.040783 499 Fit 0.030785 500 Fit 0.022424 501 Fit 0.014261 502 Fit 0.005039 503 Fit -0.006539 504 Fit -0.021940 505 Fit 0.037414 506 Fit 0.029715 507 Fit 0.022399 508 Fit 0.014960 509 Fit 0.006524 510 Fit -0.003762 511 Fit -0.016363 512 Fit -0.030081 513 Fit 0.002005 514 Fit 0.007247 515 Fit 0.028338 516 Fit 0.028197 517 Fit 0.023729 518 Fit 0.017727 519 Fit 0.010616 520 Fit 0.002197 521 Fit -0.007160 522 Fit -0.015130 523 Fit -0.016651 524 Fit -0.008710 525 Fit 0.002762 526 Fit 0.006412 527 Fit 0.006864 528 Fit 0.007587 529 Fit 0.013647 530 Fit 0.019639 531 Fit 0.019719 532 Fit 0.015503 533 Fit 0.009058 534 Fit 0.001818 535 Fit -0.003310 536 Fit -0.002503 537 Fit 0.005636 538 Fit 0.008565 539 Fit 0.012336 540 Fit 0.014155 541 Fit 0.009619 542 Fit 0.004612 543 Fit 0.009492 544 Fit 0.006101 545 Fit 0.004959 546 Fit 0.006739 547 Fit 0.007225 548 Fit 0.005826 549 Fit 0.004620 550 Fit 0.003646 551 Fit 0.005776 552 Fit 0.006884 553 Fit 0.005422 554 Fit 0.003819 555 Fit 0.002452 556 Fit 0.002283 557 Fit 0.002168 558 Fit 0.005324 559 Fit 0.006880 560 Fit 0.005240 561 Fit 0.003394 562 Fit 0.001211 563 Fit -0.000832 564 Fit -0.001740 565 Fit -0.000638 566 Fit 0.000852 567 Fit 0.005898 568 Fit 0.007631 569 Fit 0.005476 570 Fit 0.003448 571 Fit 0.000962 572 Fit -0.002085 573 Fit -0.005291 574 Fit -0.007646 575 Fit -0.007694 576 Fit -0.004517 577 Fit 0.000776 578 Fit 0.009024 579 Fit 0.007082 580 Fit 0.004340 581 Fit 0.001738 582 Fit -0.001469 583 Fit -0.005538 584 Fit -0.010315 585 Fit -0.015024 586 Fit -0.017958 587 Fit -0.016645 588 Fit -0.009609 589 Fit 0.005556 590 Fit 0.002017 591 Fit -0.001741 592 Fit -0.006542 593 Fit -0.012757 594 Fit -0.020338 595 Fit -0.028327 596 Fit 0.002356 597 Fit -0.002746 598 Fit -0.009093 599 Fit -0.017646 600 Fit -0.029053 601 Fit -0.004769 602 Fit -0.014482 603 Fit -0.028289 604 Fit -0.014693 605 Fit 0.013420 606 Fit 0.015602 607 Fit 0.015133 608 Fit 0.013632 609 Fit 0.011645 610 Fit 0.017715 611 Fit 0.018268 612 Fit 0.018082 613 Fit 0.016966 614 Fit 0.015012 615 Fit 0.012522 616 Fit 0.010216 617 Fit 0.020553 618 Fit 0.021474 619 Fit 0.021671 620 Fit 0.021063 621 Fit 0.019704 622 Fit 0.017660 623 Fit 0.015038 624 Fit 0.012074 625 Fit 0.009370 626 Fit 0.025476 627 Fit 0.026124 628 Fit 0.025872 629 Fit 0.024943 630 Fit 0.023466 631 Fit 0.021484 632 Fit 0.019007 633 Fit 0.016073 634 Fit 0.012807 635 Fit 0.009562 636 Fit 0.033502 637 Fit 0.033235 638 Fit 0.031806 639 Fit 0.029909 640 Fit 0.027778 641 Fit 0.025417 642 Fit 0.022761 643 Fit 0.019751 644 Fit 0.016378 645 Fit 0.012734 646 Fit 0.009139 647 Fit 0.047155 648 Fit 0.042260 649 Fit 0.037615 650 Fit 0.033639 651 Fit 0.030120 652 Fit 0.026759 653 Fit 0.023322 654 Fit 0.019672 655 Fit 0.015789 656 Fit 0.011833 657 Fit 0.008360 658 Fit 0.053420 659 Fit 0.043673 660 Fit 0.036926 661 Fit 0.031737 662 Fit 0.027226 663 Fit 0.022927 664 Fit 0.018689 665 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cpu: 2.9 elap: 0.4 Test job not archived. 1\1\GINC-GAUSSIAN01\FOpt\RHF\6-31G(d)\C13H12Br1N3O3\RGALINDO\07-May-20 24\0\\#HF/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) opt\\re mark line goes here\\0,1\C,6.5041705001,-6.5515317131,1.2891435591\C,7 .795383906,-6.8089736581,2.0484713628\O,5.4854911602,-7.423550998,1.68 21893567\N,4.6971941854,-1.3905044193,2.0999750338\C,5.1745568056,-2.6 60179549,1.9035208538\N,6.0747993552,-2.8909217272,1.020539538\C,6.556 9137839,-4.1472331766,0.7957928826\O,7.4212954237,-4.399242912,0.00719 34105\N,5.9944901006,-5.1986119891,1.5398323919\C,5.0425023976,-4.9658 009996,2.463241625\C,4.595548751,-3.7222154716,2.6936305342\H,6.673323 9352,-6.6124315066,0.2260721897\H,8.552876814,-6.096821609,1.751326234 9\H,8.1626085081,-7.8074789378,1.8278158145\H,3.9291858187,-1.31271323 99,2.7256737713\C,5.2446213642,-0.1810450602,1.6657363074\H,4.66418097 4,-5.8182250312,2.9860525373\Br,3.2534650803,-3.4248491039,3.995022300 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