Entering Gaussian System, Link 0=g16 Input=charges.com Output=charges.log Initial command: /home/rgalindo/g16/l1.exe "/home/rgalindo/tmp/Gau-2581817.inp" -scrdir="/home/rgalindo/tmp/" Entering Link 1 = /home/rgalindo/g16/l1.exe PID= 2581819. 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 31-Aug-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 1.1 0. 0. H 0.011 0.018 0.029 H 1.479 1.022 -0.03 H 1.478 -0.501 0.891 O 1.524 -0.687 -1.135 P 3.138 -0.847 -1.398 S 4.212 0.62 -0.624 O 3.281 -1.435 -2.738 O 3.475 -2.001 -0.28 C 3.096 -3.315 -0.544 H 3.587 -3.659 -1.454 H 3.389 -3.953 0.29 H 2.015 -3.363 -0.674 O 3.373 1.376 0.39 C 4.701 1.445 -1.688 O 5.335 -0.064 0.115 C 3.785 2.123 -2.449 C 4.23 2.862 -3.45 C 5.608 2.899 -3.662 C 6.574 2.152 -2.839 C 6.038 1.421 -1.832 H 3.526 3.386 -4.037 O 6.082 3.523 -4.498 O 8.015 2.102 -2.975 H 6.641 0.842 -1.181 H 2.759 2.048 -2.242 C 5.271 4.326 -5.416 C 8.666 2.832 -4.035 H 5.936 4.834 -6.133 H 4.704 5.082 -4.852 H 4.575 3.675 -5.969 H 9.755 2.672 -3.978 H 8.445 3.904 -3.931 H 8.293 2.476 -5.007 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.0895 estimate D2E/DX2 ! ! R2 R(1,3) 1.0904 estimate D2E/DX2 ! ! R3 R(1,4) 1.0898 estimate D2E/DX2 ! ! R4 R(1,5) 1.3928 estimate D2E/DX2 ! ! R5 R(5,6) 1.6431 estimate D2E/DX2 ! ! R6 R(6,7) 1.976 estimate D2E/DX2 ! ! R7 R(6,8) 1.4703 estimate D2E/DX2 ! ! R8 R(6,9) 1.6417 estimate D2E/DX2 ! ! R9 R(7,14) 1.5178 estimate D2E/DX2 ! ! R10 R(7,15) 1.4324 estimate D2E/DX2 ! ! R11 R(7,16) 1.5083 estimate D2E/DX2 ! ! R12 R(9,10) 1.3928 estimate D2E/DX2 ! ! R13 R(10,11) 1.0897 estimate D2E/DX2 ! ! R14 R(10,12) 1.0902 estimate D2E/DX2 ! ! R15 R(10,13) 1.0898 estimate D2E/DX2 ! ! R16 R(15,17) 1.3704 estimate D2E/DX2 ! ! R17 R(15,21) 1.3449 estimate D2E/DX2 ! ! R18 R(17,18) 1.3214 estimate D2E/DX2 ! ! R19 R(17,26) 1.0494 estimate D2E/DX2 ! ! R20 R(18,19) 1.3947 estimate D2E/DX2 ! ! R21 R(18,22) 1.0558 estimate D2E/DX2 ! ! R22 R(19,20) 1.4726 estimate D2E/DX2 ! ! R23 R(19,23) 1.1458 estimate D2E/DX2 ! ! R24 R(20,21) 1.3549 estimate D2E/DX2 ! ! R25 R(20,24) 1.4483 estimate D2E/DX2 ! ! R26 R(21,25) 1.0596 estimate D2E/DX2 ! ! R27 R(23,27) 1.4647 estimate D2E/DX2 ! ! R28 R(24,28) 1.4423 estimate D2E/DX2 ! ! R29 R(27,29) 1.102 estimate D2E/DX2 ! ! R30 R(27,30) 1.1005 estimate D2E/DX2 ! ! R31 R(27,31) 1.1018 estimate D2E/DX2 ! ! R32 R(28,32) 1.1022 estimate D2E/DX2 ! ! R33 R(28,33) 1.0995 estimate D2E/DX2 ! ! R34 R(28,34) 1.1003 estimate D2E/DX2 ! ! A1 A(2,1,3) 109.4296 estimate D2E/DX2 ! ! A2 A(2,1,4) 109.4207 estimate D2E/DX2 ! ! A3 A(2,1,5) 109.5182 estimate D2E/DX2 ! ! A4 A(3,1,4) 109.4384 estimate D2E/DX2 ! ! A5 A(3,1,5) 109.5156 estimate D2E/DX2 ! ! A6 A(4,1,5) 109.5047 estimate D2E/DX2 ! ! A7 A(1,5,6) 118.5216 estimate D2E/DX2 ! ! A8 A(5,6,7) 113.5097 estimate D2E/DX2 ! ! A9 A(5,6,8) 106.2815 estimate D2E/DX2 ! ! A10 A(5,6,9) 99.2699 estimate D2E/DX2 ! ! A11 A(7,6,8) 126.9431 estimate D2E/DX2 ! ! A12 A(7,6,9) 98.2527 estimate D2E/DX2 ! ! A13 A(8,6,9) 108.6368 estimate D2E/DX2 ! ! A14 A(6,7,14) 109.3311 estimate D2E/DX2 ! ! A15 A(6,7,15) 108.7947 estimate D2E/DX2 ! ! A16 A(6,7,16) 105.0646 estimate D2E/DX2 ! ! A17 A(14,7,15) 113.4582 estimate D2E/DX2 ! ! A18 A(14,7,16) 108.0661 estimate D2E/DX2 ! ! A19 A(15,7,16) 111.7736 estimate D2E/DX2 ! ! A20 A(6,9,10) 118.5688 estimate D2E/DX2 ! ! A21 A(9,10,11) 109.4806 estimate D2E/DX2 ! ! A22 A(9,10,12) 109.5104 estimate D2E/DX2 ! ! A23 A(9,10,13) 109.5155 estimate D2E/DX2 ! ! A24 A(11,10,12) 109.4513 estimate D2E/DX2 ! ! A25 A(11,10,13) 109.4752 estimate D2E/DX2 ! ! A26 A(12,10,13) 109.3942 estimate D2E/DX2 ! ! A27 A(7,15,17) 117.9865 estimate D2E/DX2 ! ! A28 A(7,15,21) 114.1178 estimate D2E/DX2 ! ! A29 A(17,15,21) 127.8694 estimate D2E/DX2 ! ! A30 A(15,17,18) 118.1815 estimate D2E/DX2 ! ! A31 A(15,17,26) 120.5743 estimate D2E/DX2 ! ! A32 A(18,17,26) 121.2428 estimate D2E/DX2 ! ! A33 A(17,18,19) 117.562 estimate D2E/DX2 ! ! A34 A(17,18,22) 118.3048 estimate D2E/DX2 ! ! A35 A(19,18,22) 124.1332 estimate D2E/DX2 ! ! A36 A(18,19,20) 123.3482 estimate D2E/DX2 ! ! A37 A(18,19,23) 122.2805 estimate D2E/DX2 ! ! A38 A(20,19,23) 114.3711 estimate D2E/DX2 ! ! A39 A(19,20,21) 115.4395 estimate D2E/DX2 ! ! A40 A(19,20,24) 128.1506 estimate D2E/DX2 ! ! A41 A(21,20,24) 116.4098 estimate D2E/DX2 ! ! A42 A(15,21,20) 117.5949 estimate D2E/DX2 ! ! A43 A(15,21,25) 120.6448 estimate D2E/DX2 ! ! A44 A(20,21,25) 121.7585 estimate D2E/DX2 ! ! A45 A(19,23,27) 121.7891 estimate D2E/DX2 ! ! A46 A(20,24,28) 120.0417 estimate D2E/DX2 ! ! A47 A(23,27,29) 109.05 estimate D2E/DX2 ! ! A48 A(23,27,30) 109.919 estimate D2E/DX2 ! ! A49 A(23,27,31) 109.9018 estimate D2E/DX2 ! ! A50 A(29,27,30) 109.1281 estimate D2E/DX2 ! ! A51 A(29,27,31) 109.0869 estimate D2E/DX2 ! ! A52 A(30,27,31) 109.7333 estimate D2E/DX2 ! ! A53 A(24,28,32) 109.541 estimate D2E/DX2 ! ! A54 A(24,28,33) 109.4655 estimate D2E/DX2 ! ! A55 A(24,28,34) 109.4185 estimate D2E/DX2 ! ! A56 A(32,28,33) 109.588 estimate D2E/DX2 ! ! A57 A(32,28,34) 109.4915 estimate D2E/DX2 ! ! A58 A(33,28,34) 109.3225 estimate D2E/DX2 ! ! D1 D(2,1,5,6) -179.9938 estimate D2E/DX2 ! ! D2 D(3,1,5,6) 60.0011 estimate D2E/DX2 ! ! D3 D(4,1,5,6) -60.0064 estimate D2E/DX2 ! ! D4 D(1,5,6,7) -28.1518 estimate D2E/DX2 ! ! D5 D(1,5,6,8) -172.2345 estimate D2E/DX2 ! ! D6 D(1,5,6,9) 75.1221 estimate D2E/DX2 ! ! D7 D(5,6,7,14) 16.3081 estimate D2E/DX2 ! ! D8 D(5,6,7,15) -108.0951 estimate D2E/DX2 ! ! D9 D(5,6,7,16) 132.0782 estimate D2E/DX2 ! ! D10 D(8,6,7,14) 151.5158 estimate D2E/DX2 ! ! D11 D(8,6,7,15) 27.1126 estimate D2E/DX2 ! ! D12 D(8,6,7,16) -92.7141 estimate D2E/DX2 ! ! D13 D(9,6,7,14) -87.6138 estimate D2E/DX2 ! ! D14 D(9,6,7,15) 147.983 estimate D2E/DX2 ! ! D15 D(9,6,7,16) 28.1563 estimate D2E/DX2 ! ! D16 D(5,6,9,10) 75.1518 estimate D2E/DX2 ! ! D17 D(7,6,9,10) -169.2483 estimate D2E/DX2 ! ! D18 D(8,6,9,10) -35.6314 estimate D2E/DX2 ! ! D19 D(6,7,15,17) 64.1342 estimate D2E/DX2 ! ! D20 D(6,7,15,21) -114.1479 estimate D2E/DX2 ! ! D21 D(14,7,15,17) -57.7941 estimate D2E/DX2 ! ! D22 D(14,7,15,21) 123.9237 estimate D2E/DX2 ! ! D23 D(16,7,15,17) 179.7019 estimate D2E/DX2 ! ! D24 D(16,7,15,21) 1.4198 estimate D2E/DX2 ! ! D25 D(6,9,10,11) 60.0169 estimate D2E/DX2 ! ! D26 D(6,9,10,12) -179.9777 estimate D2E/DX2 ! ! D27 D(6,9,10,13) -60.0209 estimate D2E/DX2 ! ! D28 D(7,15,17,18) -178.54 estimate D2E/DX2 ! ! D29 D(7,15,17,26) 1.0264 estimate D2E/DX2 ! ! D30 D(21,15,17,18) -0.5263 estimate D2E/DX2 ! ! D31 D(21,15,17,26) 179.0402 estimate D2E/DX2 ! ! D32 D(7,15,21,20) 178.4591 estimate D2E/DX2 ! ! D33 D(7,15,21,25) -1.067 estimate D2E/DX2 ! ! D34 D(17,15,21,20) 0.3808 estimate D2E/DX2 ! ! D35 D(17,15,21,25) -179.1453 estimate D2E/DX2 ! ! D36 D(15,17,18,19) 0.0219 estimate D2E/DX2 ! ! D37 D(15,17,18,22) -179.9389 estimate D2E/DX2 ! ! D38 D(26,17,18,19) -179.5415 estimate D2E/DX2 ! ! D39 D(26,17,18,22) 0.4977 estimate D2E/DX2 ! ! D40 D(17,18,19,20) 0.5649 estimate D2E/DX2 ! ! D41 D(17,18,19,23) -179.2398 estimate D2E/DX2 ! ! D42 D(22,18,19,20) -179.4767 estimate D2E/DX2 ! ! D43 D(22,18,19,23) 0.7186 estimate D2E/DX2 ! ! D44 D(18,19,20,21) -0.69 estimate D2E/DX2 ! ! D45 D(18,19,20,24) 179.1943 estimate D2E/DX2 ! ! D46 D(23,19,20,21) 179.1288 estimate D2E/DX2 ! ! D47 D(23,19,20,24) -0.987 estimate D2E/DX2 ! ! D48 D(18,19,23,27) -0.3778 estimate D2E/DX2 ! ! D49 D(20,19,23,27) 179.8013 estimate D2E/DX2 ! ! D50 D(19,20,21,15) 0.2161 estimate D2E/DX2 ! ! D51 D(19,20,21,25) 179.7365 estimate D2E/DX2 ! ! D52 D(24,20,21,15) -179.6823 estimate D2E/DX2 ! ! D53 D(24,20,21,25) -0.1618 estimate D2E/DX2 ! ! D54 D(19,20,24,28) -0.9645 estimate D2E/DX2 ! ! D55 D(21,20,24,28) 178.9188 estimate D2E/DX2 ! ! D56 D(19,23,27,29) -179.815 estimate D2E/DX2 ! ! D57 D(19,23,27,30) 60.5908 estimate D2E/DX2 ! ! D58 D(19,23,27,31) -60.2814 estimate D2E/DX2 ! ! D59 D(20,24,28,32) -179.9213 estimate D2E/DX2 ! ! D60 D(20,24,28,33) 59.8963 estimate D2E/DX2 ! ! D61 D(20,24,28,34) -59.886 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= 163 maximum allowed number of steps= 204. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.100000 0.000000 0.000000 2 1 0 0.011000 0.018000 0.029000 3 1 0 1.479000 1.022000 -0.030000 4 1 0 1.478000 -0.501000 0.891000 5 8 0 1.524000 -0.687000 -1.135000 6 15 0 3.138000 -0.847000 -1.398000 7 16 0 4.212000 0.620000 -0.624000 8 8 0 3.281000 -1.435000 -2.738000 9 8 0 3.475000 -2.001000 -0.280000 10 6 0 3.096000 -3.315000 -0.544000 11 1 0 3.587000 -3.659000 -1.454000 12 1 0 3.389000 -3.953000 0.290000 13 1 0 2.015000 -3.363000 -0.674000 14 8 0 3.373000 1.376000 0.390000 15 6 0 4.701000 1.445000 -1.688000 16 8 0 5.335000 -0.064000 0.115000 17 6 0 3.785000 2.123000 -2.449000 18 6 0 4.230000 2.862000 -3.450000 19 6 0 5.608000 2.899000 -3.662000 20 6 0 6.574000 2.152000 -2.839000 21 6 0 6.038000 1.421000 -1.832000 22 1 0 3.526000 3.386000 -4.037000 23 8 0 6.082000 3.523000 -4.498000 24 8 0 8.015000 2.102000 -2.975000 25 1 0 6.641000 0.842000 -1.181000 26 1 0 2.759000 2.048000 -2.242000 27 6 0 5.271000 4.326000 -5.416000 28 6 0 8.666000 2.832000 -4.035000 29 1 0 5.936000 4.834000 -6.133000 30 1 0 4.704000 5.082000 -4.852000 31 1 0 4.575000 3.675000 -5.969000 32 1 0 9.755000 2.672000 -3.978000 33 1 0 8.445000 3.904000 -3.931000 34 1 0 8.293000 2.476000 -5.007000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.089535 0.000000 3 H 1.090424 1.779472 0.000000 4 H 1.089847 1.778902 1.779823 0.000000 5 O 1.392828 2.034967 2.035616 2.035040 0.000000 6 P 2.612519 3.544388 2.849011 2.848655 1.643096 7 S 3.233933 4.293858 2.825549 3.320636 3.032279 8 O 3.783204 4.523317 4.076434 4.158462 2.493223 9 O 3.118177 4.021335 3.631122 2.758487 2.502803 10 C 3.907579 4.577602 4.657086 3.549048 3.118790 11 H 4.656991 5.339232 5.327589 4.463168 3.631875 12 H 4.577098 5.219947 5.338644 3.991169 4.021891 13 H 3.549827 3.992667 4.464332 3.305849 2.759452 14 O 2.685518 3.643834 1.972043 2.713882 3.162340 15 C 4.231379 5.194277 3.648174 4.563539 3.865820 16 O 4.237044 5.325326 4.008635 3.958484 4.058861 17 C 4.208795 4.981424 3.518721 4.833552 3.838596 18 C 5.467215 6.163744 4.759202 6.142276 5.027630 19 C 6.491264 7.297263 5.810610 7.024721 5.993678 20 C 6.531133 7.473443 5.926753 6.849856 6.038712 21 C 5.455209 6.461924 4.918423 5.648222 5.030474 22 H 5.800676 6.342792 5.082790 6.602140 5.386923 23 O 7.580492 8.344806 6.885175 8.150504 7.057566 24 O 7.815770 8.799494 7.249739 8.028321 7.300493 25 H 5.727688 6.789696 5.291828 5.723059 5.340753 26 H 3.460224 4.102419 2.753910 4.237222 3.198578 27 C 8.089782 8.710596 7.369171 8.801422 7.582687 28 C 9.030272 9.967132 8.424316 9.329615 8.473578 29 H 9.185213 9.811714 8.464207 9.882943 8.656049 30 H 7.896673 8.455324 7.080672 8.634756 7.563719 31 H 7.823695 8.377335 7.203842 8.607554 7.190494 32 H 9.893083 10.864865 9.316726 10.113546 9.333536 33 H 9.200163 10.095294 8.488161 9.549597 8.763284 34 H 9.107133 9.999729 8.562432 9.491742 8.415243 6 7 8 9 10 6 P 0.000000 7 S 1.976016 0.000000 8 O 1.470304 3.091728 0.000000 9 O 1.641709 2.744293 2.529774 0.000000 10 C 2.611916 4.090976 2.895213 1.392815 0.000000 11 H 2.848172 4.403336 2.586207 2.034646 1.089733 12 H 3.543950 4.735510 3.939641 2.035338 1.090160 13 H 2.848782 4.549022 3.095163 2.035161 1.089846 14 O 2.862499 1.517779 4.206491 3.444333 4.791092 15 C 2.789325 1.432425 3.378358 3.919242 5.151928 16 O 2.780120 1.508345 3.773349 2.714331 4.002050 17 C 3.216226 2.402491 3.605121 4.669908 5.803067 18 C 4.377196 3.607376 4.457775 5.853861 6.919980 19 C 5.025844 4.046245 5.005223 6.324367 7.392284 20 C 4.782947 3.582219 4.870382 5.779247 6.873980 21 C 3.707045 2.331339 4.071685 4.548380 5.722238 22 H 5.003314 4.446338 4.998947 6.567908 7.568973 23 O 6.113431 5.189623 5.960282 7.423109 8.444439 24 O 5.913430 4.710237 5.914160 6.686496 7.710396 25 H 3.894974 2.501914 4.347249 4.349483 5.500313 26 H 3.039244 2.601599 3.556654 4.555930 5.635472 27 C 6.888682 6.149730 6.657395 8.344761 9.319436 28 C 7.144760 6.030421 6.991976 8.025235 8.999866 29 H 7.907135 7.146961 7.607589 9.329060 10.281475 30 H 7.038147 6.166643 6.997515 8.519537 9.573617 31 H 6.588436 6.167156 6.182710 8.111208 8.970962 32 H 7.926188 6.795945 7.766449 8.657398 9.590558 33 H 7.559917 6.295966 7.522969 8.538134 9.601955 34 H 7.116266 6.269768 6.750143 8.099456 8.970109 11 12 13 14 15 11 H 0.000000 12 H 1.779656 0.000000 13 H 1.779663 1.779121 0.000000 14 O 5.366317 5.329962 5.043251 0.000000 15 C 5.229395 5.896798 5.599969 2.467069 0.000000 16 O 4.294332 4.352225 4.746401 2.449218 2.435128 17 C 5.870328 6.676579 6.031560 2.964401 1.370351 18 C 6.849884 7.819150 7.166800 4.205740 2.309626 19 C 7.208819 8.215362 7.813478 4.871700 2.614085 20 C 6.678931 7.563458 7.475756 4.612485 2.309281 21 C 5.653024 6.356096 6.357055 3.470091 1.344946 22 H 7.503841 8.520717 7.690377 4.864344 3.265870 23 O 8.189755 9.277272 8.864562 5.986721 3.757838 24 O 7.423594 8.289941 8.435688 5.779141 3.615330 25 H 5.446140 5.977572 6.272077 3.665109 2.093862 26 H 5.820342 6.543694 5.682524 2.784960 2.107579 27 C 9.071578 10.229477 9.602542 6.783402 4.745845 28 C 8.636601 9.622296 9.690725 7.050986 4.811798 29 H 9.977068 11.178260 10.600270 7.815130 5.724384 30 H 9.444531 10.478579 9.798185 6.556261 4.820651 31 H 8.668848 9.938212 9.171917 6.867830 4.828637 32 H 9.192190 10.130765 10.355928 7.841490 5.682653 33 H 9.323876 10.252435 10.235343 7.126500 5.009518 34 H 8.509317 9.666409 9.606357 7.385392 4.998118 16 17 18 19 20 16 O 0.000000 17 C 3.709389 0.000000 18 C 4.742544 1.321419 0.000000 19 C 4.808287 2.323117 1.394703 0.000000 20 C 3.895111 2.816285 2.524234 1.472581 0.000000 21 C 2.547596 2.439160 2.821926 2.391293 1.354882 22 H 5.693337 2.045481 1.055822 2.170833 3.499752 23 O 5.891040 3.381510 2.228257 1.145839 2.207711 24 O 4.628397 4.262630 3.889659 2.626943 1.448267 25 H 2.050875 3.377206 3.878361 3.384331 2.114132 26 H 4.080658 1.049357 2.070193 3.295057 3.862829 27 C 7.061739 3.983026 2.663106 2.286135 3.614556 28 C 6.058455 5.180950 4.474508 3.081393 2.503853 29 H 7.961728 5.054521 3.741351 3.155574 4.295417 30 H 7.179872 3.921052 2.668085 2.645525 4.016711 31 H 7.181419 3.927239 2.669336 2.644147 4.014029 32 H 6.616249 6.187095 5.553423 4.165212 3.418550 33 H 6.464305 5.204218 4.368449 3.021747 2.786146 34 H 6.437099 5.195194 4.368205 3.032685 2.785707 21 22 23 24 25 21 C 0.000000 22 H 3.877292 0.000000 23 O 3.395276 2.600851 0.000000 24 O 2.383010 4.788280 2.841700 0.000000 25 H 1.059552 4.932737 4.301480 2.587260 0.000000 26 H 3.363491 2.366550 4.278725 5.307141 4.201200 27 C 4.676791 2.414594 1.464669 4.293506 5.652467 28 C 3.708169 5.169770 2.714573 1.442325 4.025673 29 H 5.491591 3.506853 2.100777 4.664657 6.399640 30 H 4.929795 2.219983 2.110612 4.833865 5.933448 31 H 4.933118 2.217329 2.111396 4.824103 5.934576 32 H 4.470616 6.270065 3.805986 2.087704 4.568272 33 H 4.045335 4.947335 2.459760 2.084716 4.493635 34 H 4.034684 4.949070 2.498762 2.084750 4.476308 26 27 28 29 30 26 H 0.000000 27 C 4.644750 0.000000 28 C 6.222713 3.957932 0.000000 29 H 5.744128 1.101988 3.982776 0.000000 30 H 4.449751 1.100509 4.628978 1.794516 0.000000 31 H 4.453708 1.101828 4.602965 1.795132 1.801105 32 H 7.235129 4.990973 1.102166 4.889073 5.664325 33 H 6.215147 3.529530 1.099473 3.465369 4.028772 34 H 6.201094 3.566828 1.100295 3.519018 4.438038 31 32 33 34 31 H 0.000000 32 H 5.639370 0.000000 33 H 4.379816 1.798926 0.000000 34 H 4.023254 1.798527 1.794454 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.467708 1.750787 -0.865634 2 1 0 4.094908 2.641283 -0.838742 3 1 0 2.579589 1.950638 -1.465908 4 1 0 4.026977 0.926883 -1.308541 5 8 0 3.086640 1.410686 0.430162 6 15 0 2.130388 0.092094 0.646176 7 16 0 0.968629 -0.301412 -0.903053 8 8 0 1.742254 0.092239 2.064324 9 8 0 3.247857 -1.086822 0.408205 10 6 0 4.173362 -1.340837 1.417586 11 1 0 3.648608 -1.635712 2.325991 12 1 0 4.840154 -2.145122 1.106197 13 1 0 4.757227 -0.441144 1.611027 14 8 0 1.481497 0.448408 -2.118942 15 6 0 -0.383496 0.024602 -0.560540 16 8 0 1.140920 -1.778179 -1.157182 17 6 0 -0.681762 1.335823 -0.296724 18 6 0 -1.921371 1.636636 0.048278 19 6 0 -2.842778 0.592106 0.120133 20 6 0 -2.497271 -0.812547 -0.155677 21 6 0 -1.207595 -1.036847 -0.505147 22 1 0 -2.153562 2.646459 0.251028 23 8 0 -3.941071 0.762982 0.398524 24 8 0 -3.360198 -1.974190 -0.097193 25 1 0 -0.849608 -2.010379 -0.721324 26 1 0 0.059790 2.075428 -0.361797 27 6 0 -4.459765 2.097052 0.709116 28 6 0 -4.742155 -1.828388 0.289119 29 1 0 -5.532381 2.018946 0.949474 30 1 0 -4.332254 2.760518 -0.159603 31 1 0 -3.925376 2.514420 1.577597 32 1 0 -5.234393 -2.814451 0.276790 33 1 0 -5.250231 -1.153952 -0.415038 34 1 0 -4.795791 -1.403928 1.302827 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6733347 0.1904485 0.1772942 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1994.5673636246 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.58D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.35793444 A.U. after 16 cycles NFock= 16 Conv=0.76D-08 -V/T= 2.0004 SCF density gives NOpUse= 1 NOpAll= 1. ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -92.16652 -80.09457 -20.66979 -20.60168 -20.59434 Alpha occ. eigenvalues -- -20.57028 -20.53700 -20.53198 -20.52637 -11.37322 Alpha occ. eigenvalues -- -11.35729 -11.31974 -11.29713 -11.29428 -11.27133 Alpha occ. eigenvalues -- -11.26504 -11.26175 -11.26100 -11.24264 -9.15723 Alpha occ. eigenvalues -- -7.62592 -6.84328 -6.84119 -6.84043 -5.52343 Alpha occ. eigenvalues -- -5.52278 -5.52248 -1.58501 -1.44465 -1.41447 Alpha occ. eigenvalues -- -1.38018 -1.36771 -1.30036 -1.29211 -1.23702 Alpha occ. eigenvalues -- -1.12903 -1.09503 -1.05990 -0.98068 -0.94680 Alpha occ. eigenvalues -- -0.93710 -0.92917 -0.89837 -0.86387 -0.80364 Alpha occ. eigenvalues -- -0.79988 -0.76953 -0.75294 -0.72916 -0.70163 Alpha occ. eigenvalues -- -0.68501 -0.68019 -0.67345 -0.65386 -0.65088 Alpha occ. eigenvalues -- -0.64891 -0.63874 -0.62781 -0.62018 -0.61548 Alpha occ. eigenvalues -- -0.61264 -0.60530 -0.59003 -0.58404 -0.57751 Alpha occ. eigenvalues -- -0.55210 -0.54332 -0.52299 -0.50885 -0.49893 Alpha occ. eigenvalues -- -0.48796 -0.48383 -0.47971 -0.47038 -0.46072 Alpha occ. eigenvalues -- -0.44712 -0.43774 -0.43105 -0.41771 -0.39158 Alpha occ. eigenvalues -- -0.32665 Alpha virt. eigenvalues -- 0.07066 0.11054 0.14616 0.17019 0.19080 Alpha virt. eigenvalues -- 0.20573 0.22691 0.24250 0.24907 0.26452 Alpha virt. eigenvalues -- 0.26722 0.27219 0.27770 0.29099 0.29833 Alpha virt. eigenvalues -- 0.30610 0.30909 0.32213 0.32327 0.33030 Alpha virt. eigenvalues -- 0.33656 0.34637 0.35330 0.36670 0.37199 Alpha virt. eigenvalues -- 0.39217 0.39420 0.40901 0.41987 0.43749 Alpha virt. eigenvalues -- 0.44379 0.48219 0.50033 0.51896 0.53116 Alpha virt. eigenvalues -- 0.54874 0.57009 0.59002 0.60682 0.63225 Alpha virt. eigenvalues -- 0.64599 0.66611 0.66927 0.67826 0.68882 Alpha virt. eigenvalues -- 0.71796 0.72180 0.72827 0.74571 0.75239 Alpha virt. eigenvalues -- 0.75997 0.76527 0.77581 0.77790 0.79621 Alpha virt. eigenvalues -- 0.80967 0.81299 0.82300 0.83939 0.84730 Alpha virt. eigenvalues -- 0.85787 0.86502 0.88699 0.90397 0.92091 Alpha virt. eigenvalues -- 0.93578 0.93873 0.95094 0.96330 0.97568 Alpha virt. eigenvalues -- 0.98542 1.01301 1.01595 1.03377 1.05012 Alpha virt. eigenvalues -- 1.06676 1.07956 1.08442 1.08843 1.09227 Alpha virt. eigenvalues -- 1.09849 1.10815 1.11260 1.11581 1.12122 Alpha virt. eigenvalues -- 1.13387 1.14009 1.14625 1.16446 1.16802 Alpha virt. eigenvalues -- 1.18225 1.19956 1.20962 1.21689 1.22382 Alpha virt. eigenvalues -- 1.22825 1.23940 1.25006 1.26274 1.27301 Alpha virt. eigenvalues -- 1.29536 1.31167 1.32451 1.33399 1.34275 Alpha virt. eigenvalues -- 1.34320 1.36012 1.37270 1.40853 1.42349 Alpha virt. eigenvalues -- 1.42733 1.43445 1.44901 1.45964 1.47242 Alpha virt. eigenvalues -- 1.48932 1.51242 1.51999 1.54081 1.55953 Alpha virt. eigenvalues -- 1.56598 1.58202 1.60173 1.61327 1.62581 Alpha virt. eigenvalues -- 1.63977 1.66470 1.67702 1.68644 1.69282 Alpha virt. eigenvalues -- 1.71185 1.71847 1.73646 1.75697 1.76385 Alpha virt. eigenvalues -- 1.78034 1.79089 1.79404 1.80770 1.84828 Alpha virt. eigenvalues -- 1.85872 1.86440 1.90757 1.93217 1.95223 Alpha virt. eigenvalues -- 1.96579 1.98069 1.99494 2.05277 2.06946 Alpha virt. eigenvalues -- 2.09624 2.10723 2.11342 2.11609 2.12955 Alpha virt. eigenvalues -- 2.14568 2.16358 2.17805 2.18103 2.18174 Alpha virt. eigenvalues -- 2.20816 2.20926 2.25539 2.27147 2.27804 Alpha virt. eigenvalues -- 2.29890 2.31139 2.31718 2.32470 2.36463 Alpha virt. eigenvalues -- 2.37612 2.38052 2.39577 2.40637 2.43434 Alpha virt. eigenvalues -- 2.45231 2.45648 2.46329 2.47470 2.47720 Alpha virt. eigenvalues -- 2.48691 2.50597 2.51668 2.52602 2.52957 Alpha virt. eigenvalues -- 2.54577 2.55810 2.56126 2.56988 2.58041 Alpha virt. eigenvalues -- 2.58751 2.62044 2.67058 2.68861 2.70050 Alpha virt. eigenvalues -- 2.70574 2.72905 2.73164 2.76805 2.78416 Alpha virt. eigenvalues -- 2.79145 2.88194 2.90638 2.94575 2.98875 Alpha virt. eigenvalues -- 2.99942 3.01087 3.02689 3.04815 3.05843 Alpha virt. eigenvalues -- 3.06610 3.13869 3.17721 3.20721 3.22439 Alpha virt. eigenvalues -- 3.22506 3.25837 3.27480 3.33270 3.36369 Alpha virt. eigenvalues -- 3.49461 3.73091 3.86773 3.88131 4.28696 Alpha virt. eigenvalues -- 4.33042 4.37800 4.39956 4.46431 4.50230 Alpha virt. eigenvalues -- 4.52778 4.59663 4.60710 4.64754 4.67397 Alpha virt. eigenvalues -- 4.72600 4.74925 4.77560 4.82315 4.91574 Alpha virt. eigenvalues -- 5.07779 5.34288 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.931943 0.387580 0.406083 0.398450 0.159354 -0.018832 2 H 0.387580 0.532328 -0.032176 -0.030481 -0.031051 0.000828 3 H 0.406083 -0.032176 0.499397 -0.029800 -0.038277 -0.012351 4 H 0.398450 -0.030481 -0.029800 0.517175 -0.039500 -0.004891 5 O 0.159354 -0.031051 -0.038277 -0.039500 8.463381 0.257744 6 P -0.018832 0.000828 -0.012351 -0.004891 0.257744 12.400010 7 S -0.005498 0.000432 -0.001834 -0.001350 -0.006731 0.153989 8 O 0.000433 -0.000024 -0.000010 -0.000071 -0.040404 0.627536 9 O -0.000925 -0.000050 -0.000002 0.005263 -0.037593 0.274092 10 C 0.000217 0.000005 -0.000015 -0.000097 -0.001409 -0.020196 11 H -0.000017 0.000000 -0.000001 0.000030 -0.000158 -0.009275 12 H 0.000007 -0.000000 -0.000000 0.000002 -0.000086 0.003063 13 H -0.000038 0.000011 0.000024 -0.000349 0.005229 -0.008206 14 O -0.028041 0.001127 -0.007426 -0.000232 0.001468 -0.021019 15 C 0.000070 -0.000005 -0.000226 0.000087 -0.000734 -0.004951 16 O -0.000369 0.000001 0.000055 0.000051 0.000252 -0.014393 17 C -0.000292 0.000005 -0.000247 0.000005 0.000056 -0.007444 18 C -0.000017 0.000000 -0.000005 0.000000 0.000031 0.000064 19 C -0.000000 0.000000 -0.000001 0.000000 0.000000 -0.000106 20 C -0.000000 0.000000 -0.000001 -0.000000 0.000000 0.000046 21 C -0.000011 0.000000 -0.000018 -0.000001 -0.000006 -0.001911 22 H 0.000000 -0.000000 0.000000 -0.000000 -0.000001 0.000021 23 O 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000002 24 O -0.000000 -0.000000 0.000000 -0.000000 -0.000000 0.000003 25 H 0.000000 -0.000000 -0.000000 0.000000 -0.000001 0.000242 26 H -0.000234 -0.000003 -0.000257 0.000040 0.002305 -0.004037 27 C -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 28 C -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 -0.000000 -0.000000 33 H -0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 34 H 0.000000 -0.000000 -0.000000 -0.000000 0.000000 -0.000000 7 8 9 10 11 12 1 C -0.005498 0.000433 -0.000925 0.000217 -0.000017 0.000007 2 H 0.000432 -0.000024 -0.000050 0.000005 0.000000 -0.000000 3 H -0.001834 -0.000010 -0.000002 -0.000015 -0.000001 -0.000000 4 H -0.001350 -0.000071 0.005263 -0.000097 0.000030 0.000002 5 O -0.006731 -0.040404 -0.037593 -0.001409 -0.000158 -0.000086 6 P 0.153989 0.627536 0.274092 -0.020196 -0.009275 0.003063 7 S 14.035293 -0.024231 -0.021238 0.000925 -0.000266 0.000119 8 O -0.024231 8.138239 -0.038800 -0.001198 0.004295 0.000110 9 O -0.021238 -0.038800 8.474803 0.180129 -0.037439 -0.032368 10 C 0.000925 -0.001198 0.180129 4.831489 0.400634 0.396793 11 H -0.000266 0.004295 -0.037439 0.400634 0.520764 -0.030907 12 H 0.000119 0.000110 -0.032368 0.396793 -0.030907 0.513783 13 H -0.000299 -0.001218 -0.039568 0.395473 -0.033657 -0.033841 14 O 0.374237 0.000132 -0.000028 -0.000030 -0.000000 0.000001 15 C 0.087012 0.002477 0.001308 -0.000003 0.000012 0.000001 16 O 0.387223 0.000052 -0.005131 0.000094 -0.000024 -0.000001 17 C -0.045831 0.000636 0.000061 -0.000003 -0.000000 0.000000 18 C -0.003491 0.000041 0.000000 -0.000000 0.000000 -0.000000 19 C -0.000549 -0.000001 -0.000000 -0.000000 -0.000000 -0.000000 20 C -0.003445 0.000029 0.000000 -0.000000 0.000000 -0.000000 21 C -0.041892 -0.000207 0.000057 -0.000004 -0.000000 -0.000000 22 H -0.000083 0.000001 -0.000000 0.000000 0.000000 -0.000000 23 O 0.000004 -0.000000 0.000000 0.000000 0.000000 0.000000 24 O -0.000057 -0.000000 -0.000000 0.000000 0.000000 0.000000 25 H -0.014133 -0.000019 -0.000005 -0.000000 0.000000 -0.000000 26 H 0.008535 -0.000472 -0.000003 -0.000000 -0.000000 0.000000 27 C -0.000004 0.000000 0.000000 -0.000000 0.000000 0.000000 28 C -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 0.000001 -0.000000 0.000000 -0.000000 0.000000 0.000000 31 H -0.000002 0.000000 -0.000000 0.000000 -0.000000 -0.000000 32 H 0.000000 0.000000 -0.000000 0.000000 0.000000 -0.000000 33 H -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000 34 H -0.000001 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 13 14 15 16 17 18 1 C -0.000038 -0.028041 0.000070 -0.000369 -0.000292 -0.000017 2 H 0.000011 0.001127 -0.000005 0.000001 0.000005 0.000000 3 H 0.000024 -0.007426 -0.000226 0.000055 -0.000247 -0.000005 4 H -0.000349 -0.000232 0.000087 0.000051 0.000005 0.000000 5 O 0.005229 0.001468 -0.000734 0.000252 0.000056 0.000031 6 P -0.008206 -0.021019 -0.004951 -0.014393 -0.007444 0.000064 7 S -0.000299 0.374237 0.087012 0.387223 -0.045831 -0.003491 8 O -0.001218 0.000132 0.002477 0.000052 0.000636 0.000041 9 O -0.039568 -0.000028 0.001308 -0.005131 0.000061 0.000000 10 C 0.395473 -0.000030 -0.000003 0.000094 -0.000003 -0.000000 11 H -0.033657 -0.000000 0.000012 -0.000024 -0.000000 0.000000 12 H -0.033841 0.000001 0.000001 -0.000001 0.000000 -0.000000 13 H 0.552672 0.000002 0.000002 -0.000008 0.000000 0.000000 14 O 0.000002 8.532400 -0.073131 -0.062164 0.004499 0.000659 15 C 0.000002 -0.073131 5.581629 -0.072960 0.449333 -0.052550 16 O -0.000008 -0.062164 -0.072960 8.471131 0.002757 -0.000110 17 C 0.000000 0.004499 0.449333 0.002757 4.887534 0.520115 18 C 0.000000 0.000659 -0.052550 -0.000110 0.520115 5.145144 19 C -0.000000 0.000019 -0.023825 0.000005 -0.030259 0.511715 20 C 0.000000 -0.000154 -0.062434 0.003150 -0.015690 -0.039100 21 C 0.000000 -0.003088 0.497058 -0.002643 -0.030019 -0.023277 22 H -0.000000 -0.000003 0.002268 0.000000 -0.016430 0.377090 23 O 0.000000 -0.000000 0.000630 0.000000 0.004925 -0.059403 24 O -0.000000 0.000000 0.002403 -0.000003 0.000112 0.002210 25 H 0.000000 0.000143 -0.022016 0.012234 0.003097 -0.000629 26 H 0.000000 0.002561 -0.048591 0.000069 0.376238 -0.016294 27 C 0.000000 0.000000 0.000075 -0.000000 -0.000670 -0.015976 28 C 0.000000 -0.000000 -0.000063 0.000000 -0.000015 0.000060 29 H 0.000000 0.000000 -0.000001 0.000000 0.000027 0.000922 30 H 0.000000 0.000000 -0.000009 -0.000000 -0.000406 -0.001012 31 H -0.000000 -0.000000 -0.000020 0.000000 -0.000253 -0.001211 32 H -0.000000 0.000000 0.000001 0.000000 -0.000000 0.000007 33 H 0.000000 0.000000 0.000007 -0.000000 -0.000001 -0.000087 34 H -0.000000 -0.000000 0.000011 -0.000000 -0.000000 -0.000087 19 20 21 22 23 24 1 C -0.000000 -0.000000 -0.000011 0.000000 0.000000 -0.000000 2 H 0.000000 0.000000 0.000000 -0.000000 -0.000000 -0.000000 3 H -0.000001 -0.000001 -0.000018 0.000000 -0.000000 0.000000 4 H 0.000000 -0.000000 -0.000001 -0.000000 -0.000000 -0.000000 5 O 0.000000 0.000000 -0.000006 -0.000001 -0.000000 -0.000000 6 P -0.000106 0.000046 -0.001911 0.000021 0.000002 0.000003 7 S -0.000549 -0.003445 -0.041892 -0.000083 0.000004 -0.000057 8 O -0.000001 0.000029 -0.000207 0.000001 -0.000000 -0.000000 9 O -0.000000 0.000000 0.000057 -0.000000 0.000000 -0.000000 10 C -0.000000 -0.000000 -0.000004 0.000000 0.000000 0.000000 11 H -0.000000 0.000000 -0.000000 0.000000 0.000000 0.000000 12 H -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 13 H -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 14 O 0.000019 -0.000154 -0.003088 -0.000003 -0.000000 0.000000 15 C -0.023825 -0.062434 0.497058 0.002268 0.000630 0.002403 16 O 0.000005 0.003150 -0.002643 0.000000 0.000000 -0.000003 17 C -0.030259 -0.015690 -0.030019 -0.016430 0.004925 0.000112 18 C 0.511715 -0.039100 -0.023277 0.377090 -0.059403 0.002210 19 C 4.492485 0.488192 -0.064483 -0.023998 0.296083 -0.044730 20 C 0.488192 4.660387 0.539217 0.000281 -0.073738 0.236381 21 C -0.064483 0.539217 4.978103 0.000666 0.001823 -0.042712 22 H -0.023998 0.000281 0.000666 0.427660 -0.003386 -0.000003 23 O 0.296083 -0.073738 0.001823 -0.003386 8.262318 0.001556 24 O -0.044730 0.236381 -0.042712 -0.000003 0.001556 8.445307 25 H 0.003331 -0.025577 0.363267 0.000008 -0.000041 0.001278 26 H 0.001558 0.000271 0.002094 -0.001057 -0.000073 0.000001 27 C -0.056649 0.003341 -0.000213 0.000366 0.186825 -0.000179 28 C 0.000195 -0.031662 0.001691 -0.000007 -0.016401 0.188483 29 H 0.000621 0.000034 0.000004 0.000265 -0.022470 -0.000003 30 H 0.001526 -0.000149 0.000009 -0.001952 -0.031452 -0.000001 31 H 0.001529 -0.000166 -0.000001 -0.001974 -0.031143 -0.000002 32 H -0.000327 0.002588 0.000062 0.000000 0.000494 -0.027090 33 H 0.001963 -0.003974 -0.000154 -0.000001 -0.002482 -0.036464 34 H 0.002162 -0.003793 -0.000181 -0.000001 -0.002123 -0.036668 25 26 27 28 29 30 1 C 0.000000 -0.000234 -0.000000 -0.000000 -0.000000 0.000000 2 H -0.000000 -0.000003 0.000000 0.000000 -0.000000 -0.000000 3 H -0.000000 -0.000257 -0.000000 -0.000000 -0.000000 0.000000 4 H 0.000000 0.000040 0.000000 0.000000 0.000000 0.000000 5 O -0.000001 0.002305 0.000000 0.000000 0.000000 0.000000 6 P 0.000242 -0.004037 0.000000 -0.000000 0.000000 0.000000 7 S -0.014133 0.008535 -0.000004 -0.000000 0.000000 0.000001 8 O -0.000019 -0.000472 0.000000 0.000000 -0.000000 -0.000000 9 O -0.000005 -0.000003 0.000000 0.000000 0.000000 0.000000 10 C -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 11 H 0.000000 -0.000000 0.000000 0.000000 -0.000000 0.000000 12 H -0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 13 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 14 O 0.000143 0.002561 0.000000 -0.000000 0.000000 0.000000 15 C -0.022016 -0.048591 0.000075 -0.000063 -0.000001 -0.000009 16 O 0.012234 0.000069 -0.000000 0.000000 0.000000 -0.000000 17 C 0.003097 0.376238 -0.000670 -0.000015 0.000027 -0.000406 18 C -0.000629 -0.016294 -0.015976 0.000060 0.000922 -0.001012 19 C 0.003331 0.001558 -0.056649 0.000195 0.000621 0.001526 20 C -0.025577 0.000271 0.003341 -0.031662 0.000034 -0.000149 21 C 0.363267 0.002094 -0.000213 0.001691 0.000004 0.000009 22 H 0.000008 -0.001057 0.000366 -0.000007 0.000265 -0.001952 23 O -0.000041 -0.000073 0.186825 -0.016401 -0.022470 -0.031452 24 O 0.001278 0.000001 -0.000179 0.188483 -0.000003 -0.000001 25 H 0.339466 -0.000060 0.000003 -0.000099 -0.000000 -0.000000 26 H -0.000060 0.410319 -0.000017 -0.000000 0.000000 0.000003 27 C 0.000003 -0.000017 4.959728 0.000466 0.391576 0.385885 28 C -0.000099 -0.000000 0.000466 4.833723 0.000096 -0.000009 29 H -0.000000 0.000000 0.391576 0.000096 0.445982 -0.023972 30 H -0.000000 0.000003 0.385885 -0.000009 -0.023972 0.496598 31 H -0.000000 0.000000 0.386123 -0.000010 -0.023855 -0.033411 32 H -0.000014 0.000000 -0.000014 0.394727 -0.000005 0.000000 33 H 0.000015 0.000000 0.000113 0.391148 0.000042 0.000004 34 H 0.000014 0.000000 0.000088 0.391129 0.000031 0.000000 31 32 33 34 1 C -0.000000 -0.000000 -0.000000 0.000000 2 H 0.000000 0.000000 -0.000000 -0.000000 3 H -0.000000 -0.000000 0.000000 -0.000000 4 H -0.000000 -0.000000 0.000000 -0.000000 5 O -0.000000 -0.000000 -0.000000 0.000000 6 P -0.000000 -0.000000 0.000000 -0.000000 7 S -0.000002 0.000000 -0.000000 -0.000001 8 O 0.000000 0.000000 -0.000000 0.000000 9 O -0.000000 -0.000000 0.000000 -0.000000 10 C 0.000000 0.000000 0.000000 -0.000000 11 H -0.000000 0.000000 0.000000 -0.000000 12 H -0.000000 -0.000000 0.000000 -0.000000 13 H -0.000000 -0.000000 0.000000 -0.000000 14 O -0.000000 0.000000 0.000000 -0.000000 15 C -0.000020 0.000001 0.000007 0.000011 16 O 0.000000 0.000000 -0.000000 -0.000000 17 C -0.000253 -0.000000 -0.000001 -0.000000 18 C -0.001211 0.000007 -0.000087 -0.000087 19 C 0.001529 -0.000327 0.001963 0.002162 20 C -0.000166 0.002588 -0.003974 -0.003793 21 C -0.000001 0.000062 -0.000154 -0.000181 22 H -0.001974 0.000000 -0.000001 -0.000001 23 O -0.031143 0.000494 -0.002482 -0.002123 24 O -0.000002 -0.027090 -0.036464 -0.036668 25 H -0.000000 -0.000014 0.000015 0.000014 26 H 0.000000 0.000000 0.000000 0.000000 27 C 0.386123 -0.000014 0.000113 0.000088 28 C -0.000010 0.394727 0.391148 0.391129 29 H -0.023855 -0.000005 0.000042 0.000031 30 H -0.033411 0.000000 0.000004 0.000000 31 H 0.493285 0.000000 0.000001 0.000007 32 H 0.000000 0.497393 -0.029672 -0.029498 33 H 0.000001 -0.029672 0.559913 -0.039276 34 H 0.000007 -0.029498 -0.039276 0.559000 Mulliken charges: 1 1 C -0.229862 2 H 0.171475 3 H 0.217090 4 H 0.185671 5 O -0.693871 6 P 1.409976 7 S 1.123168 8 O -0.667326 9 O -0.722564 10 C -0.182804 11 H 0.186009 12 H 0.183326 13 H 0.163769 14 O -0.721932 15 C -0.262863 16 O -0.719269 17 C -0.101841 18 C -0.344811 19 C 0.443546 20 C 0.325968 21 C -0.173229 22 H 0.240271 23 O -0.511947 24 O -0.689824 25 H 0.339498 26 H 0.267105 27 C -0.240868 28 C -0.153453 29 H 0.230705 30 H 0.208347 31 H 0.211102 32 H 0.191349 33 H 0.158905 34 H 0.159185 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.344374 5 O -0.693871 6 P 1.409976 7 S 1.123168 8 O -0.667326 9 O -0.722564 10 C 0.350301 14 O -0.721932 15 C -0.262863 16 O -0.719269 17 C 0.165264 18 C -0.104540 19 C 0.443546 20 C 0.325968 21 C 0.166270 23 O -0.511947 24 O -0.689824 27 C 0.409287 28 C 0.355985 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147214544 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 2.11D+01 NSMCal= 5886 NSMKep= 4571 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 4571 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 2146797083 working-precision words and 4571 shell-pairs IPart= 0 NShTot= 4571 NBatch= 69 AvBLen= 66.2 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 46. Electronic moments (au): -162.00000000 -3.54744637 2.39405195 0.77753122 -4738.17965060 -1046.18837671 -635.07923996 -9.17518693 -2.73965728 -3.61679569 7368.47760289 -139.56338146 -42.90268522 1690.06225728 345.19446574 -3112.71000375 -1575.23513005 31.53390767 -28.44959711 1118.78405078 -258351.08117518 -15325.70583576 -7659.88623910 -433.80158646 1506.54144083 -802.09720899 -330.76912457 -848.57156716 669.71136012 -43712.58527511 -15119.33755691 -3019.21862357 2954.08899642 2109.18599986 1275.18417361 Electronic spatial extent (au): = 6419.4473 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 162.00000000 0.00000000 0.00000000 0.00000000 4674.70987608 958.42362280 529.68413093 0.00000000 0.00000000 0.00000000 -7530.51267144 189.45701633 53.78143099 -1739.96475053 -291.05283154 3167.33737170 1548.10594616 -38.45323188 45.96199325 -1159.04968731 245439.80298154 11962.72598993 5366.37208234 -124.86569511 -1749.61620156 625.21950898 308.34921442 846.30812231 -660.41411421 41042.66331114 12136.74406358 2083.68847246 -3057.29801515 -2184.41557960 -1345.28319594 Total moments (au): -0.00000000 -3.54744637 2.39405195 0.77753122 -63.46977452 -87.76475391 -105.39510903 -9.17518693 -2.73965728 -3.61679569 -162.03506855 49.89363487 10.87874577 -49.90249325 54.14163420 54.62736795 -27.12918389 -6.91932421 17.51239614 -40.26563654 -12911.27819364 -3362.97984583 -2293.51415676 -558.66728157 -243.07476073 -176.87770001 -22.41991015 -2.26344485 9.29724592 -2669.92196398 -2982.59349333 -935.53015110 -103.20901873 -75.22957974 -70.09902233 Traceless Quadrup. (au): 22.07343797 -2.22154143 -19.85189654 -9.17518693 -2.73965728 -3.61679569 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= -9.0167 Y= 6.0851 Z= 1.9763 Tot= 11.0560 Quadrupole moment (field-independent basis, Debye-Ang): XX= -85.3690 YY= -118.0466 ZZ= -141.7600 XY= -12.3409 XZ= -3.6849 YZ= -4.8647 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 29.6895 YY= -2.9880 ZZ= -26.7015 XY= -12.3409 XZ= -3.6849 YZ= -4.8647 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -115.3303 YYY= 35.5124 ZZZ= 7.7431 XYY= -35.5187 XXY= 38.5359 XXZ= 38.8817 XZZ= -19.3095 YZZ= -4.9249 YYZ= 12.4646 XYZ= -28.6595 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -4863.0065 YYYY= -1266.6595 ZZZZ= -863.8474 XXXY= -210.4209 XXXZ= -91.5536 YYYX= -66.6206 YYYZ= -8.4444 ZZZX= -0.8525 ZZZY= 3.5018 XXYY= -1005.6206 XXZZ= -1123.3877 YYZZ= -352.3655 XXYZ= -38.8735 YYXZ= -28.3351 ZZXY= -26.4027 N-N= 1.994567363625D+03 E-N=-7.887708824952D+03 KE= 1.648769426777D+03 Entering OneElI... OneElI was handed 2147265663 working-precision words. Calculate electrostatic properties NBasis = 323 MinDer = 0 MaxDer = 0 NGrid = 34 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 38.65 SMaxX= 19.60 Shift= 10.454686 5.318542 4.004221 Box 1 Number 0 centers from 1 to 108: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.86D+01 RnKept= 1.76D+01 NSMCal= 5886 NSMKep= 3969 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 134946 NTPThr= 100 NPartT= 12 Incr= 112 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= 112. PRISM was handed 178792102 working-precision words and 3969 shell-pairs PRISM was handed 178792102 working-precision words and 3969 shell-pairs PRISM was handed 178792102 working-precision words and 3969 shell-pairs PRISM was handed 178792102 working-precision words and 3969 shell-pairs PRISM was handed 178792102 working-precision words and 3969 shell-pairs PRISM was handed 178792102 working-precision words and 3969 shell-pairs PRISM was handed 178792102 working-precision words and 3969 shell-pairs PRISM was handed 178792102 working-precision words and 3969 shell-pairs PRISM was handed 178792102 working-precision words and 3969 shell-pairs PRISM was handed 178792102 working-precision words and 3969 shell-pairs PRISM was handed 178792102 working-precision words and 3969 shell-pairs PRISM was handed 178792102 working-precision words and 3969 shell-pairs IPart= 0 NShTot= 12172 NBatch= 358 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 11152 NBatch= 328 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 7 NShTot= 10982 NBatch= 323 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 4 NShTot= 11390 NBatch= 335 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 10506 NBatch= 309 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 10642 NBatch= 313 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 10812 NBatch= 318 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 5 NShTot= 11254 NBatch= 331 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 8 NShTot= 10982 NBatch= 323 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 11458 NBatch= 337 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 11696 NBatch= 344 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 11900 NBatch= 350 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 1345. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.195069 0.144170 -0.339239 2 Atom 0.008029 -0.145034 0.137005 3 Atom -0.137974 0.133730 0.004244 4 Atom 0.037392 -0.101950 0.064558 5 Atom 0.307546 0.192062 -0.499608 6 Atom -0.179781 -0.723562 0.903343 7 Atom 0.811713 -0.306962 -0.504751 8 Atom 0.486814 0.541662 -1.028475 9 Atom -0.563567 0.428436 0.135131 10 Atom -0.083571 0.183368 -0.099797 11 Atom 0.041803 0.123749 -0.165552 12 Atom -0.018044 -0.087917 0.105960 13 Atom 0.015356 -0.149947 0.134590 14 Atom 0.828169 0.489118 -1.317287 15 Atom -0.088492 -0.003740 0.092232 16 Atom 1.115536 -1.695772 0.580237 17 Atom 0.239902 0.164522 -0.404424 18 Atom 0.101382 0.015790 -0.117172 19 Atom 0.089907 0.327787 -0.417695 20 Atom 0.102606 -0.101816 -0.000791 21 Atom 0.180318 0.252499 -0.432817 22 Atom 0.130841 -0.312645 0.181804 23 Atom -0.424302 -0.309983 0.734284 24 Atom -1.300303 -0.494076 1.794380 25 Atom 0.114829 -0.266080 0.151251 26 Atom -0.101631 -0.097456 0.199087 27 Atom 0.171847 -0.402040 0.230193 28 Atom -0.378901 0.219520 0.159381 29 Atom -0.248226 0.120573 0.127653 30 Atom 0.134765 -0.017595 -0.117170 31 Atom 0.037938 0.071214 -0.109152 32 Atom 0.049310 -0.195111 0.145801 33 Atom 0.037671 -0.011246 -0.026425 34 Atom 0.125898 0.086133 -0.212031 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.063290 0.218624 0.166805 2 Atom -0.217053 -0.003548 -0.010359 3 Atom 0.066619 -0.169779 0.063980 4 Atom 0.169243 0.105580 -0.126395 5 Atom -1.230426 0.519310 0.544754 6 Atom 0.080591 0.047535 0.056043 7 Atom -0.336859 -0.325703 -0.006817 8 Atom 0.003139 -0.108695 0.033493 9 Atom 1.238497 -0.922257 0.170842 10 Atom 0.094710 -0.329785 0.090204 11 Atom -0.055883 0.164982 0.107856 12 Atom 0.205506 0.069458 -0.096355 13 Atom -0.194371 -0.056707 -0.060041 14 Atom -0.340402 0.663966 0.899911 15 Atom 0.032887 -0.000965 -0.023019 16 Atom 0.317180 0.002311 -0.865049 17 Atom 0.010633 -0.175336 0.096167 18 Atom -0.039466 -0.056480 0.031268 19 Atom 0.102662 -0.112769 0.085187 20 Atom -0.239591 -0.055427 0.046031 21 Atom -0.051954 -0.165075 0.110960 22 Atom 0.117568 0.035053 -0.103437 23 Atom 1.108031 0.457628 -0.431988 24 Atom -1.007500 0.730958 -0.089100 25 Atom 0.140515 0.031211 -0.091939 26 Atom -0.264761 0.024999 0.022390 27 Atom 0.271372 0.061201 -0.158027 28 Atom 0.047687 0.161596 -0.011498 29 Atom -0.029855 0.088553 0.003145 30 Atom -0.020154 0.045586 0.190580 31 Atom -0.064138 -0.158115 -0.124455 32 Atom -0.160571 0.002768 -0.007106 33 Atom 0.119866 -0.119293 0.170026 34 Atom 0.006068 0.023390 -0.152915 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat Aug 31 12:20:32 2024, MaxMem= 2147483648 cpu: 1.3 elap: 0.2 FitSet: NAtFit= 34 NAtPot= 34 NAtFrz= 0 MDM= 38 TotChg= 0.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 1 1.20 3 1 1.20 4 1 1.20 5 8 1.40 6 15 1.80 7 16 1.75 8 8 1.40 9 8 1.40 10 6 1.50 11 1 1.20 12 1 1.20 13 1 1.20 14 8 1.40 15 6 1.50 16 8 1.40 17 6 1.50 18 6 1.50 19 6 1.50 20 6 1.50 21 6 1.50 22 1 1.20 23 8 1.40 24 8 1.40 25 1 1.20 26 1 1.20 27 6 1.50 28 6 1.50 29 1 1.20 30 1 1.20 31 1 1.20 32 1 1.20 33 1 1.20 34 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= 0.200 ********************************************************************** Electrostatic Properties Using The SCF Density. ********************************************************************** Atomic Center 1 is at 3.467708 1.750787 -0.865634 Atomic Center 2 is at 4.094908 2.641283 -0.838742 Atomic Center 3 is at 2.579589 1.950638 -1.465908 Atomic Center 4 is at 4.026977 0.926883 -1.308541 Atomic Center 5 is at 3.086640 1.410686 0.430162 Atomic Center 6 is at 2.130388 0.092094 0.646176 Atomic Center 7 is at 0.968629 -0.301412 -0.903053 Atomic Center 8 is at 1.742254 0.092239 2.064324 Atomic Center 9 is at 3.247857 -1.086822 0.408205 Atomic Center 10 is at 4.173362 -1.340837 1.417586 Atomic Center 11 is at 3.648608 -1.635712 2.325991 Atomic Center 12 is at 4.840154 -2.145122 1.106197 Atomic Center 13 is at 4.757227 -0.441144 1.611027 Atomic Center 14 is at 1.481497 0.448408 -2.118942 Atomic Center 15 is at -0.383496 0.024602 -0.560540 Atomic Center 16 is at 1.140920 -1.778179 -1.157182 Atomic Center 17 is at -0.681762 1.335823 -0.296724 Atomic Center 18 is at -1.921371 1.636636 0.048278 Atomic Center 19 is at -2.842778 0.592106 0.120133 Atomic Center 20 is at -2.497271 -0.812547 -0.155677 Atomic Center 21 is at -1.207595 -1.036847 -0.505147 Atomic Center 22 is at -2.153562 2.646459 0.251028 Atomic Center 23 is at -3.941071 0.762982 0.398524 Atomic Center 24 is at -3.360198 -1.974190 -0.097193 Atomic Center 25 is at -0.849608 -2.010379 -0.721324 Atomic Center 26 is at 0.059790 2.075428 -0.361797 Atomic Center 27 is at -4.459765 2.097052 0.709116 Atomic Center 28 is at -4.742155 -1.828388 0.289119 Atomic Center 29 is at -5.532381 2.018946 0.949474 Atomic Center 30 is at -4.332254 2.760518 -0.159603 Atomic Center 31 is at -3.925376 2.514420 1.577597 Atomic Center 32 is at -5.234393 -2.814451 0.276790 Atomic Center 33 is at -5.250231 -1.153952 -0.415038 Atomic Center 34 is at -4.795791 -1.403928 1.302827 ESP Fit Center 35 is at 4.892483 2.169138 0.619290 ESP Fit Center 36 is at 5.213794 1.750787 0.301063 ESP Fit Center 37 is at 2.848537 3.383406 0.301063 ESP Fit Center 38 is at 5.013791 0.939340 0.301063 ESP Fit Center 39 is at 5.163056 1.332921 0.301063 ESP Fit Center 40 is at 5.407855 1.750787 -0.061999 ESP Fit Center 41 is at 2.749586 3.553138 -0.061999 ESP Fit Center 42 is at 2.378923 3.356625 -0.061999 ESP Fit Center 43 is at 2.059170 3.085025 -0.061999 ESP Fit Center 44 is at 5.228538 0.936140 -0.061999 ESP Fit Center 45 is at 5.362496 1.333713 -0.061999 ESP Fit Center 46 is at 5.527357 1.750787 -0.455945 ESP Fit Center 47 is at 2.560651 3.599949 -0.455945 ESP Fit Center 48 is at 2.206985 3.379507 -0.455945 ESP Fit Center 49 is at 5.485196 1.336183 -0.455945 ESP Fit Center 50 is at 5.567708 1.750787 -0.865634 ESP Fit Center 51 is at 2.664073 3.690934 -0.865634 ESP Fit Center 52 is at 2.301011 3.496873 -0.865634 ESP Fit Center 53 is at 5.527357 1.750787 -1.275324 ESP Fit Center 54 is at 3.257241 3.484142 -2.032332 ESP Fit Center 55 is at 4.892483 2.169138 -2.350559 ESP Fit Center 56 is at 3.256381 3.220597 -2.350559 ESP Fit Center 57 is at 4.555621 2.172247 -2.611720 ESP Fit Center 58 is at 4.329908 2.536786 -2.611720 ESP Fit Center 59 is at 3.987750 2.795172 -2.611720 ESP Fit Center 60 is at 3.575357 2.912507 -2.611720 ESP Fit Center 61 is at 4.271343 1.750787 -2.805781 ESP Fit Center 62 is at 4.163677 2.152604 -2.805781 ESP Fit Center 63 is at 3.869526 2.446755 -2.805781 ESP Fit Center 64 is at 3.467708 2.554422 -2.805781 ESP Fit Center 65 is at 3.877398 1.750787 -2.925283 ESP Fit Center 66 is at 3.672553 2.105589 -2.925283 ESP Fit Center 67 is at 3.262863 1.395985 -2.925283 ESP Fit Center 68 is at 3.672553 1.395985 -2.925283 ESP Fit Center 69 is at 3.467708 1.750787 -2.965634 ESP Fit Center 70 is at 4.312316 3.017844 0.784014 ESP Fit Center 71 is at 4.934908 2.641283 0.616181 ESP Fit Center 72 is at 4.822370 3.061283 0.616181 ESP Fit Center 73 is at 4.514908 3.368744 0.616181 ESP Fit Center 74 is at 4.094908 3.481283 0.616181 ESP Fit Center 75 is at 3.674908 3.368744 0.616181 ESP Fit Center 76 is at 5.282848 2.641283 0.349198 ESP Fit Center 77 is at 5.202629 3.070416 0.349198 ESP Fit Center 78 is at 4.972806 3.441592 0.349198 ESP Fit Center 79 is at 4.624418 3.704682 0.349198 ESP Fit Center 80 is at 4.204517 3.824155 0.349198 ESP Fit Center 81 is at 3.769813 3.783873 0.349198 ESP Fit Center 82 is at 3.379015 3.589279 0.349198 ESP Fit Center 83 is at 5.202629 2.212150 0.349198 ESP Fit Center 84 is at 5.549831 2.641283 0.001258 ESP Fit Center 85 is at 5.485193 3.070129 0.001258 ESP Fit Center 86 is at 5.297022 3.460870 0.001258 ESP Fit Center 87 is at 5.002038 3.778787 0.001258 ESP Fit Center 88 is at 4.626451 3.995632 0.001258 ESP Fit Center 89 is at 4.203635 4.092137 0.001258 ESP Fit Center 90 is at 3.771157 4.059727 0.001258 ESP Fit Center 91 is at 3.367447 3.901283 0.001258 ESP Fit Center 92 is at 3.028374 3.630882 0.001258 ESP Fit Center 93 is at 5.485193 2.212437 0.001258 ESP Fit Center 94 is at 5.717664 2.641283 -0.403926 ESP Fit Center 95 is at 5.662370 3.061283 -0.403926 ESP Fit Center 96 is at 5.500256 3.452660 -0.403926 ESP Fit Center 97 is at 5.242370 3.788744 -0.403926 ESP Fit Center 98 is at 4.906286 4.046630 -0.403926 ESP Fit Center 99 is at 4.514908 4.208744 -0.403926 ESP Fit Center 100 is at 4.094908 4.264038 -0.403926 ESP Fit Center 101 is at 3.674908 4.208744 -0.403926 ESP Fit Center 102 is at 3.283531 4.046630 -0.403926 ESP Fit Center 103 is at 2.947447 3.788744 -0.403926 ESP Fit Center 104 is at 5.662370 2.221283 -0.403926 ESP Fit Center 105 is at 5.774908 2.641283 -0.838742 ESP Fit Center 106 is at 5.722128 3.059082 -0.838742 ESP Fit Center 107 is at 5.567103 3.450629 -0.838742 ESP Fit Center 108 is at 5.319575 3.791322 -0.838742 ESP Fit Center 109 is at 4.995097 4.059754 -0.838742 ESP Fit Center 110 is at 4.614057 4.239058 -0.838742 ESP Fit Center 111 is at 4.200396 4.317968 -0.838742 ESP Fit Center 112 is at 3.780108 4.291525 -0.838742 ESP Fit Center 113 is at 3.379599 4.161392 -0.838742 ESP Fit Center 114 is at 3.024036 3.935745 -0.838742 ESP Fit Center 115 is at 5.567103 1.831937 -0.838742 ESP Fit Center 116 is at 5.722128 2.223484 -0.838742 ESP Fit Center 117 is at 5.717664 2.641283 -1.273558 ESP Fit Center 118 is at 5.662370 3.061283 -1.273558 ESP Fit Center 119 is at 5.500256 3.452660 -1.273558 ESP Fit Center 120 is at 5.242370 3.788744 -1.273558 ESP Fit Center 121 is at 4.906286 4.046630 -1.273558 ESP Fit Center 122 is at 4.514908 4.208744 -1.273558 ESP Fit Center 123 is at 4.094908 4.264038 -1.273558 ESP Fit Center 124 is at 3.674908 4.208744 -1.273558 ESP Fit Center 125 is at 3.283531 4.046630 -1.273558 ESP Fit Center 126 is at 2.947447 3.788744 -1.273558 ESP Fit Center 127 is at 5.662370 2.221283 -1.273558 ESP Fit Center 128 is at 5.549831 2.641283 -1.678742 ESP Fit Center 129 is at 5.485193 3.070129 -1.678742 ESP Fit Center 130 is at 5.297022 3.460870 -1.678742 ESP Fit Center 131 is at 5.002038 3.778787 -1.678742 ESP Fit Center 132 is at 4.626451 3.995632 -1.678742 ESP Fit Center 133 is at 4.203635 4.092137 -1.678742 ESP Fit Center 134 is at 3.771157 4.059727 -1.678742 ESP Fit Center 135 is at 3.367447 3.901283 -1.678742 ESP Fit Center 136 is at 5.485193 2.212437 -1.678742 ESP Fit Center 137 is at 5.282848 2.641283 -2.026681 ESP Fit Center 138 is at 5.202629 3.070416 -2.026681 ESP Fit Center 139 is at 4.972806 3.441592 -2.026681 ESP Fit Center 140 is at 4.624418 3.704682 -2.026681 ESP Fit Center 141 is at 4.204517 3.824155 -2.026681 ESP Fit Center 142 is at 3.769813 3.783873 -2.026681 ESP Fit Center 143 is at 3.379015 3.589279 -2.026681 ESP Fit Center 144 is at 5.202629 2.212150 -2.026681 ESP Fit Center 145 is at 4.934908 2.641283 -2.293664 ESP Fit Center 146 is at 4.822370 3.061283 -2.293664 ESP Fit Center 147 is at 4.514908 3.368744 -2.293664 ESP Fit Center 148 is at 4.094908 3.481283 -2.293664 ESP Fit Center 149 is at 3.674908 3.368744 -2.293664 ESP Fit Center 150 is at 4.529724 2.641283 -2.461497 ESP Fit Center 151 is at 4.312316 3.017844 -2.461497 ESP Fit Center 152 is at 1.852128 3.210638 -0.625908 ESP Fit Center 153 is at 1.513055 2.940237 -0.625908 ESP Fit Center 154 is at 2.159589 3.518099 -1.031092 ESP Fit Center 155 is at 1.768211 3.355985 -1.031092 ESP Fit Center 156 is at 1.432128 3.098099 -1.031092 ESP Fit Center 157 is at 2.685077 3.627323 -1.465908 ESP Fit Center 158 is at 2.264788 3.600880 -1.465908 ESP Fit Center 159 is at 1.864280 3.470747 -1.465908 ESP Fit Center 160 is at 1.508717 3.245100 -1.465908 ESP Fit Center 161 is at 1.220440 2.938117 -1.465908 ESP Fit Center 162 is at 2.999589 3.518099 -1.900724 ESP Fit Center 163 is at 2.579589 3.573393 -1.900724 ESP Fit Center 164 is at 2.159589 3.518099 -1.900724 ESP Fit Center 165 is at 1.768211 3.355985 -1.900724 ESP Fit Center 166 is at 1.432128 3.098099 -1.900724 ESP Fit Center 167 is at 1.174242 2.762015 -1.900724 ESP Fit Center 168 is at 1.012128 2.370638 -1.900724 ESP Fit Center 169 is at 3.111132 3.304987 -2.305908 ESP Fit Center 170 is at 2.688315 3.401492 -2.305908 ESP Fit Center 171 is at 2.255838 3.369083 -2.305908 ESP Fit Center 172 is at 1.852128 3.210638 -2.305908 ESP Fit Center 173 is at 1.513055 2.940237 -2.305908 ESP Fit Center 174 is at 1.268749 2.581905 -2.305908 ESP Fit Center 175 is at 3.109099 3.014038 -2.653848 ESP Fit Center 176 is at 2.689198 3.133510 -2.653848 ESP Fit Center 177 is at 2.254494 3.093228 -2.653848 ESP Fit Center 178 is at 1.863696 2.898634 -2.653848 ESP Fit Center 179 is at 1.569582 2.576007 -2.653848 ESP Fit Center 180 is at 3.307050 2.370638 -2.920831 ESP Fit Center 181 is at 2.999589 2.678099 -2.920831 ESP Fit Center 182 is at 2.579589 2.790638 -2.920831 ESP Fit Center 183 is at 2.159589 2.678099 -2.920831 ESP Fit Center 184 is at 1.852128 2.370638 -2.920831 ESP Fit Center 185 is at 3.014405 1.950638 -3.088664 ESP Fit Center 186 is at 2.796997 2.327199 -3.088664 ESP Fit Center 187 is at 2.362181 2.327199 -3.088664 ESP Fit Center 188 is at 2.796997 1.574076 -3.088664 ESP Fit Center 189 is at 2.579589 1.950638 -3.145908 ESP Fit Center 190 is at 4.904875 0.126573 -0.120601 ESP Fit Center 191 is at 5.134697 0.497749 -0.120601 ESP Fit Center 192 is at 5.481900 0.926883 -0.468541 ESP Fit Center 193 is at 4.934106 -0.210622 -0.468541 ESP Fit Center 194 is at 5.229090 0.107295 -0.468541 ESP Fit Center 195 is at 5.417261 0.498037 -0.468541 ESP Fit Center 196 is at 5.649732 0.926883 -0.873725 ESP Fit Center 197 is at 5.594438 1.346883 -0.873725 ESP Fit Center 198 is at 4.838355 -0.478465 -0.873725 ESP Fit Center 199 is at 5.174438 -0.220579 -0.873725 ESP Fit Center 200 is at 5.432324 0.115505 -0.873725 ESP Fit Center 201 is at 5.594438 0.506883 -0.873725 ESP Fit Center 202 is at 5.706977 0.926883 -1.308541 ESP Fit Center 203 is at 5.654197 1.344682 -1.308541 ESP Fit Center 204 is at 4.132465 -0.749802 -1.308541 ESP Fit Center 205 is at 4.546125 -0.670892 -1.308541 ESP Fit Center 206 is at 4.927166 -0.491588 -1.308541 ESP Fit Center 207 is at 5.251644 -0.223157 -1.308541 ESP Fit Center 208 is at 5.499172 0.117536 -1.308541 ESP Fit Center 209 is at 5.654197 0.509084 -1.308541 ESP Fit Center 210 is at 5.649732 0.926883 -1.743357 ESP Fit Center 211 is at 5.594438 1.346883 -1.743357 ESP Fit Center 212 is at 5.432324 1.738260 -1.743357 ESP Fit Center 213 is at 3.606977 -0.640579 -1.743357 ESP Fit Center 214 is at 4.026977 -0.695873 -1.743357 ESP Fit Center 215 is at 4.446977 -0.640579 -1.743357 ESP Fit Center 216 is at 4.838355 -0.478465 -1.743357 ESP Fit Center 217 is at 5.174438 -0.220579 -1.743357 ESP Fit Center 218 is at 5.432324 0.115505 -1.743357 ESP Fit Center 219 is at 5.594438 0.506883 -1.743357 ESP Fit Center 220 is at 5.481900 0.926883 -2.148541 ESP Fit Center 221 is at 5.417261 1.355729 -2.148541 ESP Fit Center 222 is at 5.229090 1.746470 -2.148541 ESP Fit Center 223 is at 3.299515 -0.333117 -2.148541 ESP Fit Center 224 is at 3.703226 -0.491562 -2.148541 ESP Fit Center 225 is at 4.135703 -0.523972 -2.148541 ESP Fit Center 226 is at 4.558520 -0.427467 -2.148541 ESP Fit Center 227 is at 4.934106 -0.210622 -2.148541 ESP Fit Center 228 is at 5.229090 0.107295 -2.148541 ESP Fit Center 229 is at 5.417261 0.498037 -2.148541 ESP Fit Center 230 is at 5.214916 0.926883 -2.496480 ESP Fit Center 231 is at 5.134697 1.356016 -2.496480 ESP Fit Center 232 is at 4.904875 1.727192 -2.496480 ESP Fit Center 233 is at 3.701882 -0.215708 -2.496480 ESP Fit Center 234 is at 4.136586 -0.255989 -2.496480 ESP Fit Center 235 is at 4.556487 -0.136517 -2.496480 ESP Fit Center 236 is at 4.904875 0.126573 -2.496480 ESP Fit Center 237 is at 5.134697 0.497749 -2.496480 ESP Fit Center 238 is at 4.866977 0.926883 -2.763464 ESP Fit Center 239 is at 4.754438 1.346883 -2.763464 ESP Fit Center 240 is at 4.446977 1.654344 -2.763464 ESP Fit Center 241 is at 3.606977 0.199421 -2.763464 ESP Fit Center 242 is at 4.026977 0.086883 -2.763464 ESP Fit Center 243 is at 4.446977 0.199421 -2.763464 ESP Fit Center 244 is at 4.754438 0.506883 -2.763464 ESP Fit Center 245 is at 4.461793 0.926883 -2.931296 ESP Fit Center 246 is at 4.244385 1.303444 -2.931296 ESP Fit Center 247 is at 3.809569 1.303444 -2.931296 ESP Fit Center 248 is at 3.592161 0.926883 -2.931296 ESP Fit Center 249 is at 3.809569 0.550321 -2.931296 ESP Fit Center 250 is at 4.244385 0.550321 -2.931296 ESP Fit Center 251 is at 4.026977 0.926883 -2.988541 ESP Fit Center 252 is at 3.494147 1.410686 2.347331 ESP Fit Center 253 is at 3.290393 1.763598 2.347331 ESP Fit Center 254 is at 3.883843 1.410686 2.220711 ESP Fit Center 255 is at 3.777038 1.809288 2.220711 ESP Fit Center 256 is at 3.485242 2.101085 2.220711 ESP Fit Center 257 is at 3.086640 2.207890 2.220711 ESP Fit Center 258 is at 2.688038 2.101085 2.220711 ESP Fit Center 259 is at 4.238699 1.410686 2.015835 ESP Fit Center 260 is at 4.160903 1.826858 2.015835 ESP Fit Center 261 is at 3.938022 2.186823 2.015835 ESP Fit Center 262 is at 3.600157 2.441967 2.015835 ESP Fit Center 263 is at 3.192938 2.557831 2.015835 ESP Fit Center 264 is at 2.771364 2.518766 2.015835 ESP Fit Center 265 is at 2.392369 2.330049 2.015835 ESP Fit Center 266 is at 4.543204 1.410686 1.741658 ESP Fit Center 267 is at 4.484202 1.821048 1.741658 ESP Fit Center 268 is at 4.311979 2.198164 1.741658 ESP Fit Center 269 is at 4.040486 2.511484 1.741658 ESP Fit Center 270 is at 3.691718 2.735623 1.741658 ESP Fit Center 271 is at 3.293930 2.852424 1.741658 ESP Fit Center 272 is at 2.879349 2.852424 1.741658 ESP Fit Center 273 is at 2.481561 2.735623 1.741658 ESP Fit Center 274 is at 2.132793 2.511484 1.741658 ESP Fit Center 275 is at 4.784049 1.410686 1.410162 ESP Fit Center 276 is at 4.730722 1.832815 1.410162 ESP Fit Center 277 is at 4.574091 2.228420 1.410162 ESP Fit Center 278 is at 4.323998 2.572643 1.410162 ESP Fit Center 279 is at 3.996157 2.843857 1.410162 ESP Fit Center 280 is at 3.611168 3.025019 1.410162 ESP Fit Center 281 is at 3.193221 3.104747 1.410162 ESP Fit Center 282 is at 2.768577 3.078030 1.410162 ESP Fit Center 283 is at 2.363918 2.946549 1.410162 ESP Fit Center 284 is at 2.004670 2.718563 1.410162 ESP Fit Center 285 is at 4.950710 1.410686 1.035835 ESP Fit Center 286 is at 4.903974 1.825481 1.035835 ESP Fit Center 287 is at 4.766109 2.219476 1.035835 ESP Fit Center 288 is at 4.544029 2.572915 1.035835 ESP Fit Center 289 is at 4.248869 2.868075 1.035835 ESP Fit Center 290 is at 3.895430 3.090156 1.035835 ESP Fit Center 291 is at 3.501434 3.228021 1.035835 ESP Fit Center 292 is at 3.086640 3.274757 1.035835 ESP Fit Center 293 is at 2.671845 3.228021 1.035835 ESP Fit Center 294 is at 2.277850 3.090156 1.035835 ESP Fit Center 295 is at 1.924411 2.868075 1.035835 ESP Fit Center 296 is at 1.629250 2.572915 1.035835 ESP Fit Center 297 is at 5.035903 1.410686 0.635038 ESP Fit Center 298 is at 4.990330 1.829720 0.635038 ESP Fit Center 299 is at 3.608123 3.288899 0.635038 ESP Fit Center 300 is at 3.192171 3.357090 0.635038 ESP Fit Center 301 is at 2.771284 3.334271 0.635038 ESP Fit Center 302 is at 2.365143 3.221506 0.635038 ESP Fit Center 303 is at 1.992739 3.024070 0.635038 ESP Fit Center 304 is at 1.671484 2.751193 0.635038 ESP Fit Center 305 is at 4.990330 0.991652 0.635038 ESP Fit Center 306 is at 2.365143 3.221506 0.225286 ESP Fit Center 307 is at 1.992739 3.024070 0.225286 ESP Fit Center 308 is at 1.671484 2.751193 0.225286 ESP Fit Center 309 is at 4.855743 0.592212 0.225286 ESP Fit Center 310 is at 3.620807 0.509689 2.634810 ESP Fit Center 311 is at 3.452872 0.896314 2.634810 ESP Fit Center 312 is at 3.787205 0.924178 2.352925 ESP Fit Center 313 is at 3.550653 1.283837 2.352925 ESP Fit Center 314 is at 2.864730 1.794489 2.352925 ESP Fit Center 315 is at 2.452336 1.917951 2.352925 ESP Fit Center 316 is at 2.023536 2.199045 2.024485 ESP Fit Center 317 is at 1.601597 2.134407 2.024485 ESP Fit Center 318 is at 1.201307 1.986155 2.024485 ESP Fit Center 319 is at 1.201307 -1.801968 2.024485 ESP Fit Center 320 is at 1.601597 -1.950220 2.024485 ESP Fit Center 321 is at 2.023536 -2.014858 2.024485 ESP Fit Center 322 is at 1.498843 2.311746 1.658448 ESP Fit Center 323 is at 1.101736 2.157906 1.658448 ESP Fit Center 324 is at 0.739659 1.933717 1.658448 ESP Fit Center 325 is at 0.424941 1.646814 1.658448 ESP Fit Center 326 is at 0.168301 1.306967 1.658448 ESP Fit Center 327 is at -0.021523 0.925749 1.658448 ESP Fit Center 328 is at -0.138067 0.516141 1.658448 ESP Fit Center 329 is at -0.177360 0.092094 1.658448 ESP Fit Center 330 is at -0.138067 -0.331954 1.658448 ESP Fit Center 331 is at -0.021523 -0.741561 1.658448 ESP Fit Center 332 is at 0.168301 -1.122780 1.658448 ESP Fit Center 333 is at 0.424941 -1.462627 1.658448 ESP Fit Center 334 is at 0.739659 -1.749530 1.658448 ESP Fit Center 335 is at 1.101736 -1.973718 1.658448 ESP Fit Center 336 is at 1.498843 -2.127558 1.658448 ESP Fit Center 337 is at 1.917456 -2.205811 1.658448 ESP Fit Center 338 is at 1.294871 2.387658 1.264799 ESP Fit Center 339 is at 0.908944 2.207697 1.264799 ESP Fit Center 340 is at 0.014785 -1.129351 1.264799 ESP Fit Center 341 is at 0.259027 -1.478165 1.264799 ESP Fit Center 342 is at 0.560130 -1.779268 1.264799 ESP Fit Center 343 is at 0.908944 -2.023510 1.264799 ESP Fit Center 344 is at 1.294871 -2.203471 1.264799 ESP Fit Center 345 is at 1.706185 -2.313682 1.264799 ESP Fit Center 346 is at 1.394995 2.493404 0.854276 ESP Fit Center 347 is at 0.999750 -2.150394 0.854276 ESP Fit Center 348 is at 1.394995 -2.309217 0.854276 ESP Fit Center 349 is at 1.811397 -2.398958 0.854276 ESP Fit Center 350 is at 0.441250 -1.785313 0.973756 ESP Fit Center 351 is at 3.115410 -1.133080 -1.741002 ESP Fit Center 352 is at 3.231676 -0.724449 -1.741002 ESP Fit Center 353 is at 2.928881 -1.113376 -2.128053 ESP Fit Center 354 is at -0.498720 -1.471584 -2.477882 ESP Fit Center 355 is at 2.659575 -1.115729 -2.477882 ESP Fit Center 356 is at -0.475823 0.326001 -2.779862 ESP Fit Center 357 is at -0.591533 -0.086973 -2.779862 ESP Fit Center 358 is at -0.591533 -0.515852 -2.779862 ESP Fit Center 359 is at -0.475823 -0.928826 -2.779862 ESP Fit Center 360 is at -0.252984 -1.295268 -2.779862 ESP Fit Center 361 is at -0.256371 -0.301412 -3.024815 ESP Fit Center 362 is at -0.182495 -0.720387 -3.024815 ESP Fit Center 363 is at 0.030224 -1.088827 -3.024815 ESP Fit Center 364 is at 0.356129 -1.362294 -3.024815 ESP Fit Center 365 is at 1.581129 -1.362294 -3.024815 ESP Fit Center 366 is at 0.242943 -0.720387 -3.205300 ESP Fit Center 367 is at 0.549654 -1.027098 -3.205300 ESP Fit Center 368 is at 0.968629 -1.139362 -3.205300 ESP Fit Center 369 is at 1.742254 0.092239 4.024324 ESP Fit Center 370 is at 2.149761 0.092239 3.981493 ESP Fit Center 371 is at 1.946007 0.445150 3.981493 ESP Fit Center 372 is at 1.538501 0.445150 3.981493 ESP Fit Center 373 is at 1.334747 0.092239 3.981493 ESP Fit Center 374 is at 1.538501 -0.260673 3.981493 ESP Fit Center 375 is at 1.946007 -0.260673 3.981493 ESP Fit Center 376 is at 2.539458 0.092239 3.854873 ESP Fit Center 377 is at 2.432653 0.490840 3.854873 ESP Fit Center 378 is at 2.140856 0.782637 3.854873 ESP Fit Center 379 is at 1.742254 0.889442 3.854873 ESP Fit Center 380 is at 1.343652 0.782637 3.854873 ESP Fit Center 381 is at 1.051855 0.490840 3.854873 ESP Fit Center 382 is at 0.945050 0.092239 3.854873 ESP Fit Center 383 is at 1.051855 -0.306363 3.854873 ESP Fit Center 384 is at 1.343652 -0.598160 3.854873 ESP Fit Center 385 is at 1.742254 -0.704965 3.854873 ESP Fit Center 386 is at 2.140856 -0.598160 3.854873 ESP Fit Center 387 is at 2.432653 -0.306363 3.854873 ESP Fit Center 388 is at 2.894313 0.092239 3.649997 ESP Fit Center 389 is at 2.816517 0.508410 3.649997 ESP Fit Center 390 is at 2.593636 0.868376 3.649997 ESP Fit Center 391 is at 2.255771 1.123520 3.649997 ESP Fit Center 392 is at 1.848553 1.239383 3.649997 ESP Fit Center 393 is at 1.426978 1.200319 3.649997 ESP Fit Center 394 is at 1.047983 1.011602 3.649997 ESP Fit Center 395 is at 0.762754 0.698720 3.649997 ESP Fit Center 396 is at 0.609811 0.303929 3.649997 ESP Fit Center 397 is at 0.609811 -0.119452 3.649997 ESP Fit Center 398 is at 0.762754 -0.514242 3.649997 ESP Fit Center 399 is at 1.047983 -0.827124 3.649997 ESP Fit Center 400 is at 1.426978 -1.015841 3.649997 ESP Fit Center 401 is at 1.848553 -1.054906 3.649997 ESP Fit Center 402 is at 2.255771 -0.939042 3.649997 ESP Fit Center 403 is at 2.593636 -0.683899 3.649997 ESP Fit Center 404 is at 2.816517 -0.323933 3.649997 ESP Fit Center 405 is at 3.198818 0.092239 3.375820 ESP Fit Center 406 is at 3.139817 0.502600 3.375820 ESP Fit Center 407 is at 2.967593 0.879716 3.375820 ESP Fit Center 408 is at 2.696100 1.193036 3.375820 ESP Fit Center 409 is at 2.347332 1.417176 3.375820 ESP Fit Center 410 is at 1.949545 1.533977 3.375820 ESP Fit Center 411 is at 1.534963 1.533977 3.375820 ESP Fit Center 412 is at 1.137175 1.417176 3.375820 ESP Fit Center 413 is at 0.788408 1.193036 3.375820 ESP Fit Center 414 is at 0.516914 0.879716 3.375820 ESP Fit Center 415 is at 0.344691 0.502600 3.375820 ESP Fit Center 416 is at 0.285690 0.092239 3.375820 ESP Fit Center 417 is at 0.344691 -0.318123 3.375820 ESP Fit Center 418 is at 0.516914 -0.695239 3.375820 ESP Fit Center 419 is at 0.788408 -1.008559 3.375820 ESP Fit Center 420 is at 1.137175 -1.232699 3.375820 ESP Fit Center 421 is at 1.534963 -1.349500 3.375820 ESP Fit Center 422 is at 1.949545 -1.349500 3.375820 ESP Fit Center 423 is at 2.347332 -1.232699 3.375820 ESP Fit Center 424 is at 3.139817 -0.318123 3.375820 ESP Fit Center 425 is at 3.439664 0.092239 3.044324 ESP Fit Center 426 is at 3.386337 0.514367 3.044324 ESP Fit Center 427 is at 3.229706 0.909972 3.044324 ESP Fit Center 428 is at 2.979612 1.254196 3.044324 ESP Fit Center 429 is at 2.651772 1.525409 3.044324 ESP Fit Center 430 is at 2.266782 1.706571 3.044324 ESP Fit Center 431 is at 1.848835 1.786299 3.044324 ESP Fit Center 432 is at 1.424191 1.759583 3.044324 ESP Fit Center 433 is at 1.019532 1.628101 3.044324 ESP Fit Center 434 is at 0.660284 1.400115 3.044324 ESP Fit Center 435 is at 0.369021 1.089951 3.044324 ESP Fit Center 436 is at 0.164042 0.717097 3.044324 ESP Fit Center 437 is at 0.058229 0.304980 3.044324 ESP Fit Center 438 is at 0.058229 -0.120503 3.044324 ESP Fit Center 439 is at 0.164042 -0.532620 3.044324 ESP Fit Center 440 is at 0.369021 -0.905474 3.044324 ESP Fit Center 441 is at 0.660284 -1.215638 3.044324 ESP Fit Center 442 is at 1.019532 -1.443624 3.044324 ESP Fit Center 443 is at 1.424191 -1.575105 3.044324 ESP Fit Center 444 is at 1.848835 -1.601822 3.044324 ESP Fit Center 445 is at 3.421724 0.901029 2.669997 ESP Fit Center 446 is at 3.199643 1.254468 2.669997 ESP Fit Center 447 is at 2.904483 1.549628 2.669997 ESP Fit Center 448 is at 2.551044 1.771708 2.669997 ESP Fit Center 449 is at 2.157049 1.909573 2.669997 ESP Fit Center 450 is at 1.742254 1.956309 2.669997 ESP Fit Center 451 is at 1.327459 1.909573 2.669997 ESP Fit Center 452 is at 0.933464 1.771708 2.669997 ESP Fit Center 453 is at 0.580025 1.549628 2.669997 ESP Fit Center 454 is at 0.284865 1.254468 2.669997 ESP Fit Center 455 is at 0.062784 0.901029 2.669997 ESP Fit Center 456 is at -0.075081 0.507033 2.669997 ESP Fit Center 457 is at -0.121817 0.092239 2.669997 ESP Fit Center 458 is at -0.075081 -0.322556 2.669997 ESP Fit Center 459 is at 0.062784 -0.716551 2.669997 ESP Fit Center 460 is at 0.284865 -1.069991 2.669997 ESP Fit Center 461 is at 0.580025 -1.365151 2.669997 ESP Fit Center 462 is at 0.933464 -1.587231 2.669997 ESP Fit Center 463 is at 1.327459 -1.725096 2.669997 ESP Fit Center 464 is at 1.742254 -1.771832 2.669997 ESP Fit Center 465 is at 1.847785 2.038643 2.269200 ESP Fit Center 466 is at 1.426898 2.015823 2.269200 ESP Fit Center 467 is at 1.020757 1.903058 2.269200 ESP Fit Center 468 is at 0.648353 1.705622 2.269200 ESP Fit Center 469 is at 0.327098 1.432746 2.269200 ESP Fit Center 470 is at 0.072014 1.097189 2.269200 ESP Fit Center 471 is at -0.104971 0.714641 2.269200 ESP Fit Center 472 is at -0.195582 0.302991 2.269200 ESP Fit Center 473 is at -0.195582 -0.118514 2.269200 ESP Fit Center 474 is at -0.104971 -0.530164 2.269200 ESP Fit Center 475 is at 0.072014 -0.912711 2.269200 ESP Fit Center 476 is at 0.327098 -1.248268 2.269200 ESP Fit Center 477 is at 0.648353 -1.521145 2.269200 ESP Fit Center 478 is at 1.020757 -1.718581 2.269200 ESP Fit Center 479 is at 1.426898 -1.831346 2.269200 ESP Fit Center 480 is at 1.847785 -1.854166 2.269200 ESP Fit Center 481 is at 0.327098 1.432746 1.859448 ESP Fit Center 482 is at 0.072014 1.097189 1.859448 ESP Fit Center 483 is at -0.104971 0.714641 1.859448 ESP Fit Center 484 is at -0.195582 0.302991 1.859448 ESP Fit Center 485 is at -0.195582 -0.118514 1.859448 ESP Fit Center 486 is at -0.104971 -0.530164 1.859448 ESP Fit Center 487 is at 0.072014 -0.912711 1.859448 ESP Fit Center 488 is at 0.327098 -1.248268 1.859448 ESP Fit Center 489 is at 2.165887 -2.394699 1.388205 ESP Fit Center 490 is at 2.085628 -2.544211 1.013878 ESP Fit Center 491 is at 2.439067 -2.766292 1.013878 ESP Fit Center 492 is at 1.832701 -2.427329 0.613080 ESP Fit Center 493 is at 2.153956 -2.700206 0.613080 ESP Fit Center 494 is at 2.526360 -2.897642 0.613080 ESP Fit Center 495 is at 2.932501 -3.010407 0.613080 ESP Fit Center 496 is at 2.526360 -2.897642 0.203329 ESP Fit Center 497 is at 2.932501 -3.010407 0.203329 ESP Fit Center 498 is at 3.353388 -3.033226 0.203329 ESP Fit Center 499 is at 2.833062 -2.904157 -0.197469 ESP Fit Center 500 is at 3.247857 -2.950893 -0.197469 ESP Fit Center 501 is at 3.662652 -2.904157 -0.197469 ESP Fit Center 502 is at 4.945267 -1.086822 -0.571795 ESP Fit Center 503 is at 4.891940 -0.664694 -0.571795 ESP Fit Center 504 is at 2.929794 -2.754166 -0.571795 ESP Fit Center 505 is at 3.354438 -2.780883 -0.571795 ESP Fit Center 506 is at 3.772385 -2.701155 -0.571795 ESP Fit Center 507 is at 4.157375 -2.519993 -0.571795 ESP Fit Center 508 is at 4.485215 -2.248779 -0.571795 ESP Fit Center 509 is at 4.735309 -1.904556 -0.571795 ESP Fit Center 510 is at 4.891940 -1.508951 -0.571795 ESP Fit Center 511 is at 4.704421 -1.086822 -0.903291 ESP Fit Center 512 is at 4.645420 -0.676461 -0.903291 ESP Fit Center 513 is at 3.040566 -2.528560 -0.903291 ESP Fit Center 514 is at 3.455148 -2.528560 -0.903291 ESP Fit Center 515 is at 3.852935 -2.411759 -0.903291 ESP Fit Center 516 is at 4.201703 -2.187620 -0.903291 ESP Fit Center 517 is at 4.473196 -1.874300 -0.903291 ESP Fit Center 518 is at 4.645420 -1.497184 -0.903291 ESP Fit Center 519 is at 4.399916 -1.086822 -1.177469 ESP Fit Center 520 is at 3.354156 -2.233967 -1.177469 ESP Fit Center 521 is at 3.761374 -2.118103 -1.177469 ESP Fit Center 522 is at 4.099239 -1.862959 -1.177469 ESP Fit Center 523 is at 4.322120 -1.502994 -1.177469 ESP Fit Center 524 is at 4.045061 -1.086822 -1.382344 ESP Fit Center 525 is at 3.247857 -1.884026 -1.382344 ESP Fit Center 526 is at 3.646459 -1.777221 -1.382344 ESP Fit Center 527 is at 3.938256 -1.485424 -1.382344 ESP Fit Center 528 is at 3.655364 -1.086822 -1.508965 ESP Fit Center 529 is at 3.451610 -0.733911 -1.508965 ESP Fit Center 530 is at 3.451610 -1.439734 -1.508965 ESP Fit Center 531 is at 3.247857 -1.086822 -1.551795 ESP Fit Center 532 is at 4.976997 -1.340837 3.357733 ESP Fit Center 533 is at 4.869331 -0.939019 3.357733 ESP Fit Center 534 is at 4.575180 -0.644868 3.357733 ESP Fit Center 535 is at 5.340059 -1.340837 3.163672 ESP Fit Center 536 is at 5.261275 -0.919377 3.163672 ESP Fit Center 537 is at 5.035562 -2.126836 3.163672 ESP Fit Center 538 is at 5.261275 -1.762296 3.163672 ESP Fit Center 539 is at 5.658286 -1.340837 2.902510 ESP Fit Center 540 is at 3.556502 0.009898 2.902510 ESP Fit Center 541 is at 5.145781 -2.463067 2.902510 ESP Fit Center 542 is at 5.422560 -2.143647 2.902510 ESP Fit Center 543 is at 5.598136 -1.759188 2.902510 ESP Fit Center 544 is at 5.919448 -1.340837 2.584283 ESP Fit Center 545 is at 4.792533 -2.973456 2.584283 ESP Fit Center 546 is at 5.719445 -2.152283 2.584283 ESP Fit Center 547 is at 5.868710 -1.758702 2.584283 ESP Fit Center 548 is at 6.113509 -1.340837 2.221221 ESP Fit Center 549 is at 4.278399 -3.278138 2.221221 ESP Fit Center 550 is at 6.068149 -1.757911 2.221221 ESP Fit Center 551 is at 6.233011 -1.340837 1.827275 ESP Fit Center 552 is at 3.657106 -3.334736 1.827275 ESP Fit Center 553 is at 2.688438 -2.825761 1.417586 ESP Fit Center 554 is at 3.006665 -3.086923 1.417586 ESP Fit Center 555 is at 3.369727 -3.280984 1.417586 ESP Fit Center 556 is at 3.763672 -3.400486 1.417586 ESP Fit Center 557 is at 2.912638 -2.969557 1.007896 ESP Fit Center 558 is at 3.266305 -3.189999 1.007896 ESP Fit Center 559 is at 3.657106 -3.334736 1.007896 ESP Fit Center 560 is at 6.068149 -0.923762 0.613951 ESP Fit Center 561 is at 3.455240 -3.143188 0.613951 ESP Fit Center 562 is at 5.868710 -0.922971 0.250888 ESP Fit Center 563 is at 5.598136 -0.922485 -0.067339 ESP Fit Center 564 is at 5.422560 -0.538026 -0.067339 ESP Fit Center 565 is at 5.145781 -0.218606 -0.067339 ESP Fit Center 566 is at 5.340059 -1.340837 -0.328500 ESP Fit Center 567 is at 5.261275 -0.919377 -0.328500 ESP Fit Center 568 is at 5.035562 -0.554838 -0.328500 ESP Fit Center 569 is at 4.976997 -1.340837 -0.522561 ESP Fit Center 570 is at 3.648608 -1.635712 4.005991 ESP Fit Center 571 is at 4.083424 -1.635712 3.948746 ESP Fit Center 572 is at 3.866016 -1.259150 3.948746 ESP Fit Center 573 is at 3.431200 -1.259150 3.948746 ESP Fit Center 574 is at 3.213792 -1.635712 3.948746 ESP Fit Center 575 is at 3.431200 -2.012273 3.948746 ESP Fit Center 576 is at 3.866016 -2.012273 3.948746 ESP Fit Center 577 is at 4.488608 -1.635712 3.780913 ESP Fit Center 578 is at 4.376070 -1.215712 3.780913 ESP Fit Center 579 is at 4.068608 -0.908250 3.780913 ESP Fit Center 580 is at 3.648608 -0.795712 3.780913 ESP Fit Center 581 is at 3.228608 -0.908250 3.780913 ESP Fit Center 582 is at 2.921147 -1.215712 3.780913 ESP Fit Center 583 is at 2.808608 -1.635712 3.780913 ESP Fit Center 584 is at 2.921147 -2.055712 3.780913 ESP Fit Center 585 is at 3.228608 -2.363173 3.780913 ESP Fit Center 586 is at 3.648608 -2.475712 3.780913 ESP Fit Center 587 is at 4.068608 -2.363173 3.780913 ESP Fit Center 588 is at 4.376070 -2.055712 3.780913 ESP Fit Center 589 is at 4.836548 -1.635712 3.513930 ESP Fit Center 590 is at 4.756329 -1.206578 3.513930 ESP Fit Center 591 is at 4.526506 -0.835402 3.513930 ESP Fit Center 592 is at 4.178119 -0.572312 3.513930 ESP Fit Center 593 is at 3.758218 -0.452840 3.513930 ESP Fit Center 594 is at 3.323513 -0.493121 3.513930 ESP Fit Center 595 is at 2.932715 -0.687715 3.513930 ESP Fit Center 596 is at 2.638602 -1.010342 3.513930 ESP Fit Center 597 is at 2.480896 -1.417428 3.513930 ESP Fit Center 598 is at 2.480896 -1.853995 3.513930 ESP Fit Center 599 is at 2.638602 -2.261081 3.513930 ESP Fit Center 600 is at 2.932715 -2.583708 3.513930 ESP Fit Center 601 is at 3.323513 -2.778302 3.513930 ESP Fit Center 602 is at 3.758218 -2.818583 3.513930 ESP Fit Center 603 is at 4.178119 -2.699111 3.513930 ESP Fit Center 604 is at 4.526506 -2.436021 3.513930 ESP Fit Center 605 is at 4.756329 -2.064845 3.513930 ESP Fit Center 606 is at 3.757335 -0.184857 3.165991 ESP Fit Center 607 is at 2.209936 -1.852557 3.165991 ESP Fit Center 608 is at 2.337768 -2.266979 3.165991 ESP Fit Center 609 is at 2.582075 -2.625310 3.165991 ESP Fit Center 610 is at 2.921147 -2.895712 3.165991 ESP Fit Center 611 is at 3.324858 -3.054156 3.165991 ESP Fit Center 612 is at 3.757335 -3.086566 3.165991 ESP Fit Center 613 is at 4.180151 -2.990061 3.165991 ESP Fit Center 614 is at 4.555738 -2.773216 3.165991 ESP Fit Center 615 is at 4.850722 -2.455299 3.165991 ESP Fit Center 616 is at 2.081147 -2.055712 2.760807 ESP Fit Center 617 is at 2.243261 -2.447089 2.760807 ESP Fit Center 618 is at 2.501147 -2.783173 2.760807 ESP Fit Center 619 is at 2.837231 -3.041059 2.760807 ESP Fit Center 620 is at 3.228608 -3.203173 2.760807 ESP Fit Center 621 is at 3.648608 -3.258467 2.760807 ESP Fit Center 622 is at 4.068608 -3.203173 2.760807 ESP Fit Center 623 is at 4.459986 -3.041059 2.760807 ESP Fit Center 624 is at 1.981856 -1.846271 2.325991 ESP Fit Center 625 is at 2.086584 -2.254161 2.325991 ESP Fit Center 626 is at 2.289460 -2.623191 2.325991 ESP Fit Center 627 is at 2.577736 -2.930174 2.325991 ESP Fit Center 628 is at 2.933299 -3.155821 2.325991 ESP Fit Center 629 is at 3.333808 -3.285954 2.325991 ESP Fit Center 630 is at 3.754096 -3.312396 2.325991 ESP Fit Center 631 is at 2.243261 -2.447089 1.891175 ESP Fit Center 632 is at 2.501147 -2.783173 1.891175 ESP Fit Center 633 is at 2.837231 -3.041059 1.891175 ESP Fit Center 634 is at 3.228608 -3.203173 1.891175 ESP Fit Center 635 is at 4.840154 -2.985122 2.561119 ESP Fit Center 636 is at 5.260154 -2.872583 2.561119 ESP Fit Center 637 is at 5.567615 -2.565122 2.561119 ESP Fit Center 638 is at 6.028093 -2.145122 2.294136 ESP Fit Center 639 is at 4.515059 -3.287712 2.294136 ESP Fit Center 640 is at 4.949763 -3.327994 2.294136 ESP Fit Center 641 is at 5.369664 -3.208522 2.294136 ESP Fit Center 642 is at 5.718052 -2.945431 2.294136 ESP Fit Center 643 is at 5.947874 -2.574255 2.294136 ESP Fit Center 644 is at 6.295076 -2.145122 1.946197 ESP Fit Center 645 is at 6.230438 -1.716276 1.946197 ESP Fit Center 646 is at 4.112692 -3.405122 1.946197 ESP Fit Center 647 is at 4.516403 -3.563567 1.946197 ESP Fit Center 648 is at 4.948880 -3.595976 1.946197 ESP Fit Center 649 is at 5.371697 -3.499471 1.946197 ESP Fit Center 650 is at 5.747283 -3.282626 1.946197 ESP Fit Center 651 is at 6.042267 -2.964709 1.946197 ESP Fit Center 652 is at 6.230438 -2.573968 1.946197 ESP Fit Center 653 is at 6.462909 -2.145122 1.541013 ESP Fit Center 654 is at 6.407615 -1.725122 1.541013 ESP Fit Center 655 is at 4.028776 -3.550469 1.541013 ESP Fit Center 656 is at 4.420154 -3.712583 1.541013 ESP Fit Center 657 is at 4.840154 -3.767877 1.541013 ESP Fit Center 658 is at 5.260154 -3.712583 1.541013 ESP Fit Center 659 is at 5.651531 -3.550469 1.541013 ESP Fit Center 660 is at 5.987615 -3.292583 1.541013 ESP Fit Center 661 is at 6.245501 -2.956500 1.541013 ESP Fit Center 662 is at 6.407615 -2.565122 1.541013 ESP Fit Center 663 is at 6.520154 -2.145122 1.106197 ESP Fit Center 664 is at 6.467373 -1.727323 1.106197 ESP Fit Center 665 is at 6.312349 -1.335776 1.106197 ESP Fit Center 666 is at 3.769281 -3.439584 1.106197 ESP Fit Center 667 is at 4.124844 -3.665231 1.106197 ESP Fit Center 668 is at 4.525353 -3.795364 1.106197 ESP Fit Center 669 is at 4.945642 -3.821807 1.106197 ESP Fit Center 670 is at 5.359302 -3.742897 1.106197 ESP Fit Center 671 is at 5.740343 -3.563593 1.106197 ESP Fit Center 672 is at 6.064821 -3.295161 1.106197 ESP Fit Center 673 is at 6.312349 -2.954468 1.106197 ESP Fit Center 674 is at 6.467373 -2.562921 1.106197 ESP Fit Center 675 is at 6.462909 -2.145122 0.671381 ESP Fit Center 676 is at 6.407615 -1.725122 0.671381 ESP Fit Center 677 is at 6.245501 -1.333744 0.671381 ESP Fit Center 678 is at 3.692692 -3.292583 0.671381 ESP Fit Center 679 is at 4.028776 -3.550469 0.671381 ESP Fit Center 680 is at 4.420154 -3.712583 0.671381 ESP Fit Center 681 is at 4.840154 -3.767877 0.671381 ESP Fit Center 682 is at 5.260154 -3.712583 0.671381 ESP Fit Center 683 is at 5.651531 -3.550469 0.671381 ESP Fit Center 684 is at 5.987615 -3.292583 0.671381 ESP Fit Center 685 is at 6.245501 -2.956500 0.671381 ESP Fit Center 686 is at 6.407615 -2.565122 0.671381 ESP Fit Center 687 is at 6.295076 -2.145122 0.266197 ESP Fit Center 688 is at 6.230438 -1.716276 0.266197 ESP Fit Center 689 is at 6.042267 -1.325535 0.266197 ESP Fit Center 690 is at 3.773620 -3.134721 0.266197 ESP Fit Center 691 is at 4.112692 -3.405122 0.266197 ESP Fit Center 692 is at 4.516403 -3.563567 0.266197 ESP Fit Center 693 is at 4.948880 -3.595976 0.266197 ESP Fit Center 694 is at 5.371697 -3.499471 0.266197 ESP Fit Center 695 is at 5.747283 -3.282626 0.266197 ESP Fit Center 696 is at 6.042267 -2.964709 0.266197 ESP Fit Center 697 is at 6.230438 -2.573968 0.266197 ESP Fit Center 698 is at 6.028093 -2.145122 -0.081743 ESP Fit Center 699 is at 5.947874 -1.715989 -0.081743 ESP Fit Center 700 is at 5.718052 -1.344812 -0.081743 ESP Fit Center 701 is at 4.124260 -3.093118 -0.081743 ESP Fit Center 702 is at 4.515059 -3.287712 -0.081743 ESP Fit Center 703 is at 4.949763 -3.327994 -0.081743 ESP Fit Center 704 is at 5.369664 -3.208522 -0.081743 ESP Fit Center 705 is at 5.718052 -2.945431 -0.081743 ESP Fit Center 706 is at 5.947874 -2.574255 -0.081743 ESP Fit Center 707 is at 5.680154 -2.145122 -0.348726 ESP Fit Center 708 is at 5.567615 -1.725122 -0.348726 ESP Fit Center 709 is at 4.420154 -2.872583 -0.348726 ESP Fit Center 710 is at 4.840154 -2.985122 -0.348726 ESP Fit Center 711 is at 5.260154 -2.872583 -0.348726 ESP Fit Center 712 is at 5.567615 -2.565122 -0.348726 ESP Fit Center 713 is at 5.274970 -2.145122 -0.516559 ESP Fit Center 714 is at 5.057562 -1.768560 -0.516559 ESP Fit Center 715 is at 4.622746 -2.521684 -0.516559 ESP Fit Center 716 is at 5.057562 -2.521684 -0.516559 ESP Fit Center 717 is at 4.840154 -2.145122 -0.573803 ESP Fit Center 718 is at 4.757227 -0.441144 3.291027 ESP Fit Center 719 is at 5.192043 -0.441144 3.233782 ESP Fit Center 720 is at 4.974635 -0.064582 3.233782 ESP Fit Center 721 is at 4.539819 -0.064582 3.233782 ESP Fit Center 722 is at 5.597227 -0.441144 3.065950 ESP Fit Center 723 is at 5.484688 -0.021144 3.065950 ESP Fit Center 724 is at 5.177227 0.286318 3.065950 ESP Fit Center 725 is at 4.757227 0.398856 3.065950 ESP Fit Center 726 is at 4.337227 0.286318 3.065950 ESP Fit Center 727 is at 4.029765 -0.021144 3.065950 ESP Fit Center 728 is at 5.484688 -0.861144 3.065950 ESP Fit Center 729 is at 5.945166 -0.441144 2.798966 ESP Fit Center 730 is at 5.864947 -0.012011 2.798966 ESP Fit Center 731 is at 5.635125 0.359166 2.798966 ESP Fit Center 732 is at 5.286737 0.622256 2.798966 ESP Fit Center 733 is at 4.866836 0.741728 2.798966 ESP Fit Center 734 is at 4.432132 0.701447 2.798966 ESP Fit Center 735 is at 4.041333 0.506852 2.798966 ESP Fit Center 736 is at 3.747220 0.184226 2.798966 ESP Fit Center 737 is at 5.864947 -0.870277 2.798966 ESP Fit Center 738 is at 6.212150 -0.441144 2.451027 ESP Fit Center 739 is at 6.147511 -0.012298 2.451027 ESP Fit Center 740 is at 5.959340 0.378443 2.451027 ESP Fit Center 741 is at 5.664356 0.696361 2.451027 ESP Fit Center 742 is at 5.288770 0.913206 2.451027 ESP Fit Center 743 is at 4.865953 1.009711 2.451027 ESP Fit Center 744 is at 4.433476 0.977301 2.451027 ESP Fit Center 745 is at 4.029765 0.818856 2.451027 ESP Fit Center 746 is at 6.147511 -0.869990 2.451027 ESP Fit Center 747 is at 6.379982 -0.441144 2.045843 ESP Fit Center 748 is at 6.324688 -0.021144 2.045843 ESP Fit Center 749 is at 6.162574 0.370234 2.045843 ESP Fit Center 750 is at 5.904688 0.706318 2.045843 ESP Fit Center 751 is at 5.568605 0.964204 2.045843 ESP Fit Center 752 is at 5.177227 1.126318 2.045843 ESP Fit Center 753 is at 4.757227 1.181612 2.045843 ESP Fit Center 754 is at 4.337227 1.126318 2.045843 ESP Fit Center 755 is at 6.324688 -0.861144 2.045843 ESP Fit Center 756 is at 6.437227 -0.441144 1.611027 ESP Fit Center 757 is at 6.384447 -0.023345 1.611027 ESP Fit Center 758 is at 6.229422 0.368202 1.611027 ESP Fit Center 759 is at 5.981894 0.708895 1.611027 ESP Fit Center 760 is at 5.657416 0.977327 1.611027 ESP Fit Center 761 is at 5.276375 1.156631 1.611027 ESP Fit Center 762 is at 4.862715 1.235541 1.611027 ESP Fit Center 763 is at 6.384447 -0.858943 1.611027 ESP Fit Center 764 is at 6.379982 -0.441144 1.176211 ESP Fit Center 765 is at 6.324688 -0.021144 1.176211 ESP Fit Center 766 is at 6.162574 0.370234 1.176211 ESP Fit Center 767 is at 5.904688 0.706318 1.176211 ESP Fit Center 768 is at 5.568605 0.964204 1.176211 ESP Fit Center 769 is at 5.177227 1.126318 1.176211 ESP Fit Center 770 is at 6.324688 -0.861144 1.176211 ESP Fit Center 771 is at 6.212150 -0.441144 0.771027 ESP Fit Center 772 is at 6.147511 -0.012298 0.771027 ESP Fit Center 773 is at 5.959340 0.378443 0.771027 ESP Fit Center 774 is at 5.664356 0.696361 0.771027 ESP Fit Center 775 is at 5.288770 0.913206 0.771027 ESP Fit Center 776 is at 6.147511 -0.869990 0.771027 ESP Fit Center 777 is at 5.945166 -0.441144 0.423088 ESP Fit Center 778 is at 5.864947 -0.012011 0.423088 ESP Fit Center 779 is at 5.635125 0.359166 0.423088 ESP Fit Center 780 is at 5.286737 0.622256 0.423088 ESP Fit Center 781 is at 5.597227 -0.441144 0.156104 ESP Fit Center 782 is at 5.484688 -0.021144 0.156104 ESP Fit Center 783 is at 5.177227 0.286318 0.156104 ESP Fit Center 784 is at 4.757227 0.398856 0.156104 ESP Fit Center 785 is at 0.760001 2.259228 -1.914067 ESP Fit Center 786 is at 1.166142 2.371993 -2.323818 ESP Fit Center 787 is at 0.760001 2.259228 -2.323818 ESP Fit Center 788 is at 0.387596 2.061792 -2.323818 ESP Fit Center 789 is at 0.066341 1.788916 -2.323818 ESP Fit Center 790 is at 3.033292 -0.731235 -2.323818 ESP Fit Center 791 is at 3.250600 -0.370066 -2.323818 ESP Fit Center 792 is at 1.481497 2.312479 -2.724616 ESP Fit Center 793 is at 1.066702 2.265743 -2.724616 ESP Fit Center 794 is at 0.672707 2.127878 -2.724616 ESP Fit Center 795 is at 0.319268 1.905798 -2.724616 ESP Fit Center 796 is at 0.024108 1.610638 -2.724616 ESP Fit Center 797 is at -0.197973 1.257198 -2.724616 ESP Fit Center 798 is at -0.335837 0.863203 -2.724616 ESP Fit Center 799 is at 2.643726 -1.008981 -2.724616 ESP Fit Center 800 is at 2.938886 -0.713821 -2.724616 ESP Fit Center 801 is at 3.160967 -0.360382 -2.724616 ESP Fit Center 802 is at 3.298832 0.033614 -2.724616 ESP Fit Center 803 is at 3.178907 0.448408 -3.098942 ESP Fit Center 804 is at 3.125580 0.870537 -3.098942 ESP Fit Center 805 is at 2.968949 1.266142 -3.098942 ESP Fit Center 806 is at 2.006026 2.062741 -3.098942 ESP Fit Center 807 is at 1.588078 2.142469 -3.098942 ESP Fit Center 808 is at 1.163434 2.115752 -3.098942 ESP Fit Center 809 is at 0.758775 1.984271 -3.098942 ESP Fit Center 810 is at 0.399527 1.756285 -3.098942 ESP Fit Center 811 is at 0.108264 1.446121 -3.098942 ESP Fit Center 812 is at -0.096715 1.073267 -3.098942 ESP Fit Center 813 is at -0.202528 0.661150 -3.098942 ESP Fit Center 814 is at -0.202528 0.235667 -3.098942 ESP Fit Center 815 is at 1.588078 -1.245652 -3.098942 ESP Fit Center 816 is at 2.006026 -1.165924 -3.098942 ESP Fit Center 817 is at 2.391015 -0.984762 -3.098942 ESP Fit Center 818 is at 2.718856 -0.713548 -3.098942 ESP Fit Center 819 is at 2.968949 -0.369325 -3.098942 ESP Fit Center 820 is at 3.125580 0.026280 -3.098942 ESP Fit Center 821 is at 2.938061 0.448408 -3.430438 ESP Fit Center 822 is at 2.879060 0.858770 -3.430438 ESP Fit Center 823 is at 2.706837 1.235886 -3.430438 ESP Fit Center 824 is at 2.435344 1.549206 -3.430438 ESP Fit Center 825 is at 2.086576 1.773346 -3.430438 ESP Fit Center 826 is at 1.688788 1.890147 -3.430438 ESP Fit Center 827 is at 1.274207 1.890147 -3.430438 ESP Fit Center 828 is at 0.876419 1.773346 -3.430438 ESP Fit Center 829 is at 0.527651 1.549206 -3.430438 ESP Fit Center 830 is at 0.256158 1.235886 -3.430438 ESP Fit Center 831 is at 0.083934 0.858770 -3.430438 ESP Fit Center 832 is at 0.024933 0.448408 -3.430438 ESP Fit Center 833 is at 0.083934 0.038047 -3.430438 ESP Fit Center 834 is at 0.256158 -0.339069 -3.430438 ESP Fit Center 835 is at 0.527651 -0.652389 -3.430438 ESP Fit Center 836 is at 0.876419 -0.876529 -3.430438 ESP Fit Center 837 is at 1.274207 -0.993330 -3.430438 ESP Fit Center 838 is at 1.688788 -0.993330 -3.430438 ESP Fit Center 839 is at 2.086576 -0.876529 -3.430438 ESP Fit Center 840 is at 2.435344 -0.652389 -3.430438 ESP Fit Center 841 is at 2.706837 -0.339069 -3.430438 ESP Fit Center 842 is at 2.879060 0.038047 -3.430438 ESP Fit Center 843 is at 2.633556 0.448408 -3.704616 ESP Fit Center 844 is at 2.555760 0.864580 -3.704616 ESP Fit Center 845 is at 2.332879 1.224546 -3.704616 ESP Fit Center 846 is at 1.995014 1.479690 -3.704616 ESP Fit Center 847 is at 1.587796 1.595553 -3.704616 ESP Fit Center 848 is at 1.166221 1.556488 -3.704616 ESP Fit Center 849 is at 0.787226 1.367771 -3.704616 ESP Fit Center 850 is at 0.501997 1.054889 -3.704616 ESP Fit Center 851 is at 0.349054 0.660099 -3.704616 ESP Fit Center 852 is at 0.349054 0.236718 -3.704616 ESP Fit Center 853 is at 0.501997 -0.158072 -3.704616 ESP Fit Center 854 is at 0.787226 -0.470955 -3.704616 ESP Fit Center 855 is at 1.166221 -0.659671 -3.704616 ESP Fit Center 856 is at 1.587796 -0.698736 -3.704616 ESP Fit Center 857 is at 1.995014 -0.582873 -3.704616 ESP Fit Center 858 is at 2.332879 -0.327729 -3.704616 ESP Fit Center 859 is at 2.555760 0.032237 -3.704616 ESP Fit Center 860 is at 2.278701 0.448408 -3.909492 ESP Fit Center 861 is at 2.171896 0.847010 -3.909492 ESP Fit Center 862 is at 1.880099 1.138807 -3.909492 ESP Fit Center 863 is at 1.481497 1.245612 -3.909492 ESP Fit Center 864 is at 1.082895 1.138807 -3.909492 ESP Fit Center 865 is at 0.791098 0.847010 -3.909492 ESP Fit Center 866 is at 0.684293 0.448408 -3.909492 ESP Fit Center 867 is at 0.791098 0.049807 -3.909492 ESP Fit Center 868 is at 1.082895 -0.241990 -3.909492 ESP Fit Center 869 is at 1.481497 -0.348795 -3.909492 ESP Fit Center 870 is at 1.880099 -0.241990 -3.909492 ESP Fit Center 871 is at 2.171896 0.049807 -3.909492 ESP Fit Center 872 is at 1.889004 0.448408 -4.036112 ESP Fit Center 873 is at 1.685251 0.801320 -4.036112 ESP Fit Center 874 is at 1.277744 0.801320 -4.036112 ESP Fit Center 875 is at 1.073990 0.448408 -4.036112 ESP Fit Center 876 is at 1.277744 0.095497 -4.036112 ESP Fit Center 877 is at 1.685251 0.095497 -4.036112 ESP Fit Center 878 is at 1.481497 0.448408 -4.078942 ESP Fit Center 879 is at -0.383496 0.024602 1.539460 ESP Fit Center 880 is at -0.793186 0.024602 1.499109 ESP Fit Center 881 is at -0.588341 -0.330199 1.499109 ESP Fit Center 882 is at -1.187131 0.024602 1.379607 ESP Fit Center 883 is at -1.808270 0.442954 -2.045464 ESP Fit Center 884 is at -1.375442 0.638789 -2.306626 ESP Fit Center 885 is at -1.530328 0.238982 -2.306626 ESP Fit Center 886 is at -0.785314 0.720571 -2.500687 ESP Fit Center 887 is at -1.079465 0.426420 -2.500687 ESP Fit Center 888 is at -1.187131 0.024602 -2.500687 ESP Fit Center 889 is at -1.079465 -0.377215 -2.500687 ESP Fit Center 890 is at -0.793186 0.024602 -2.620189 ESP Fit Center 891 is at 0.937166 -2.131091 0.759987 ESP Fit Center 892 is at 0.450521 -2.176781 0.633367 ESP Fit Center 893 is at 0.742318 -2.468578 0.633367 ESP Fit Center 894 is at 1.140920 -2.575383 0.633367 ESP Fit Center 895 is at 1.539522 -2.468578 0.633367 ESP Fit Center 896 is at 0.446649 -2.697542 0.428491 ESP Fit Center 897 is at 0.825644 -2.886259 0.428491 ESP Fit Center 898 is at 1.247218 -2.925324 0.428491 ESP Fit Center 899 is at 1.654437 -2.809460 0.428491 ESP Fit Center 900 is at 0.535841 -3.103116 0.154314 ESP Fit Center 901 is at 0.933629 -3.219917 0.154314 ESP Fit Center 902 is at 1.348210 -3.219917 0.154314 ESP Fit Center 903 is at 1.745998 -3.103116 0.154314 ESP Fit Center 904 is at 2.094766 -2.878977 0.154314 ESP Fit Center 905 is at 0.418198 -3.314042 -0.177182 ESP Fit Center 906 is at 0.822857 -3.445523 -0.177182 ESP Fit Center 907 is at 1.247501 -3.472240 -0.177182 ESP Fit Center 908 is at 1.665448 -3.392512 -0.177182 ESP Fit Center 909 is at 2.050437 -3.211350 -0.177182 ESP Fit Center 910 is at 2.378278 -2.940136 -0.177182 ESP Fit Center 911 is at 0.332130 -3.457649 -0.551509 ESP Fit Center 912 is at 0.726125 -3.595514 -0.551509 ESP Fit Center 913 is at 1.140920 -3.642250 -0.551509 ESP Fit Center 914 is at 1.555715 -3.595514 -0.551509 ESP Fit Center 915 is at 1.949710 -3.457649 -0.551509 ESP Fit Center 916 is at 2.303149 -3.235568 -0.551509 ESP Fit Center 917 is at 2.598309 -2.940408 -0.551509 ESP Fit Center 918 is at 0.419423 -3.588999 -0.952306 ESP Fit Center 919 is at 0.825564 -3.701764 -0.952306 ESP Fit Center 920 is at 1.246451 -3.724583 -0.952306 ESP Fit Center 921 is at 1.662403 -3.656391 -0.952306 ESP Fit Center 922 is at 2.053971 -3.500376 -0.952306 ESP Fit Center 923 is at 2.402846 -3.263833 -0.952306 ESP Fit Center 924 is at 2.692714 -2.957823 -0.952306 ESP Fit Center 925 is at 2.910023 -2.596653 -0.952306 ESP Fit Center 926 is at 0.047019 -3.391563 -1.362058 ESP Fit Center 927 is at 0.419423 -3.588999 -1.362058 ESP Fit Center 928 is at 0.825564 -3.701764 -1.362058 ESP Fit Center 929 is at 1.246451 -3.724583 -1.362058 ESP Fit Center 930 is at 1.662403 -3.656391 -1.362058 ESP Fit Center 931 is at 2.053971 -3.500376 -1.362058 ESP Fit Center 932 is at 2.402846 -3.263833 -1.362058 ESP Fit Center 933 is at 2.692714 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ESP Fit Center 1099 is at -1.754865 0.170646 1.866219 ESP Fit Center 1100 is at -1.418003 0.173754 1.605057 ESP Fit Center 1101 is at -3.459637 1.942840 -1.364792 ESP Fit Center 1102 is at -3.545870 1.523150 -1.625954 ESP Fit Center 1103 is at -3.834724 1.206293 -1.625954 ESP Fit Center 1104 is at -3.989610 0.806486 -1.625954 ESP Fit Center 1105 is at -3.989610 0.377725 -1.625954 ESP Fit Center 1106 is at -3.834724 -0.022082 -1.625954 ESP Fit Center 1107 is at -2.039142 0.592106 -1.820014 ESP Fit Center 1108 is at -3.244595 1.288074 -1.820014 ESP Fit Center 1109 is at -3.538746 0.993923 -1.820014 ESP Fit Center 1110 is at -3.646413 0.592106 -1.820014 ESP Fit Center 1111 is at -3.538746 0.190288 -1.820014 ESP Fit Center 1112 is at -2.433088 0.592106 -1.939516 ESP Fit Center 1113 is at -2.637933 0.946907 -1.939516 ESP Fit Center 1114 is at -3.047622 0.946907 -1.939516 ESP Fit Center 1115 is at -3.252467 0.592106 -1.939516 ESP Fit Center 1116 is at -3.047622 0.237304 -1.939516 ESP Fit Center 1117 is at -2.842778 0.592106 -1.979867 ESP Fit Center 1118 is at -2.497271 -0.812547 1.944323 ESP Fit Center 1119 is at -2.087582 -0.812547 1.903972 ESP Fit Center 1120 is at -2.292427 -0.457745 1.903972 ESP Fit Center 1121 is at -2.906961 -0.812547 1.903972 ESP Fit Center 1122 is at -2.702116 -1.167349 1.903972 ESP Fit Center 1123 is at -2.292427 -1.167349 1.903972 ESP Fit Center 1124 is at -1.693636 -0.812547 1.784470 ESP Fit Center 1125 is at -1.801303 -0.410729 1.784470 ESP Fit Center 1126 is at -3.193240 -1.214364 1.784470 ESP Fit Center 1127 is at -2.899089 -1.508515 1.784470 ESP Fit Center 1128 is at -2.497271 -1.616182 1.784470 ESP Fit Center 1129 is at -2.095454 -1.508515 1.784470 ESP Fit Center 1130 is at -1.801303 -1.214364 1.784470 ESP Fit Center 1131 is at -1.330574 -0.812547 1.590409 ESP Fit Center 1132 is at -1.409358 -0.391087 1.590409 ESP Fit Center 1133 is at -1.977230 -1.856932 1.590409 ESP Fit Center 1134 is at -1.635072 -1.598546 1.590409 ESP Fit Center 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ESP Fit Center 1425 is at -0.263961 3.493873 0.478203 ESP Fit Center 1426 is at 1.465138 2.886806 0.073019 ESP Fit Center 1427 is at 1.207252 3.222890 0.073019 ESP Fit Center 1428 is at 0.871168 3.480776 0.073019 ESP Fit Center 1429 is at 0.479790 3.642890 0.073019 ESP Fit Center 1430 is at 0.059790 3.698184 0.073019 ESP Fit Center 1431 is at -0.360210 3.642890 0.073019 ESP Fit Center 1432 is at 1.531985 2.884774 -0.361797 ESP Fit Center 1433 is at 1.284457 3.225467 -0.361797 ESP Fit Center 1434 is at 0.959979 3.493899 -0.361797 ESP Fit Center 1435 is at 0.578939 3.673203 -0.361797 ESP Fit Center 1436 is at 0.165278 3.752113 -0.361797 ESP Fit Center 1437 is at -0.255010 3.725671 -0.361797 ESP Fit Center 1438 is at -0.655519 3.595538 -0.361797 ESP Fit Center 1439 is at 1.207252 3.222890 -0.796613 ESP Fit Center 1440 is at 0.871168 3.480776 -0.796613 ESP Fit Center 1441 is at 0.479790 3.642890 -0.796613 ESP Fit Center 1442 is at 0.059790 3.698184 -0.796613 ESP Fit Center 1443 is at 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2.649263 ESP Fit Center 1462 is at -4.861583 1.401083 2.649263 ESP Fit Center 1463 is at -4.459765 1.293417 2.649263 ESP Fit Center 1464 is at -5.162858 1.166007 2.455203 ESP Fit Center 1465 is at -4.779047 0.974892 2.455203 ESP Fit Center 1466 is at -4.352116 0.935331 2.455203 ESP Fit Center 1467 is at -3.939723 1.052667 2.455203 ESP Fit Center 1468 is at -5.432184 3.219283 2.194041 ESP Fit Center 1469 is at -5.076625 0.746317 2.194041 ESP Fit Center 1470 is at -5.078936 3.729671 1.875814 ESP Fit Center 1471 is at -5.451655 3.534052 1.875814 ESP Fit Center 1472 is at -4.773646 4.011640 1.512752 ESP Fit Center 1473 is at -5.177888 3.899403 1.512752 ESP Fit Center 1474 is at -5.548551 3.702890 1.512752 ESP Fit Center 1475 is at -4.147877 4.132950 1.118806 ESP Fit Center 1476 is at -4.564085 4.154057 1.118806 ESP Fit Center 1477 is at -4.976021 4.090951 1.118806 ESP Fit Center 1478 is at -5.366823 3.946214 1.118806 ESP Fit Center 1479 is at -5.720489 3.725772 1.118806 ESP Fit Center 1480 is at -3.293068 3.843138 0.709116 ESP Fit Center 1481 is at -3.656130 4.037199 0.709116 ESP Fit Center 1482 is at -4.459765 4.197052 0.709116 ESP Fit Center 1483 is at -4.869455 4.156701 0.709116 ESP Fit Center 1484 is at -5.263400 4.037199 0.709116 ESP Fit Center 1485 is at -5.626463 3.843138 0.709116 ESP Fit Center 1486 is at -5.720489 3.725772 0.299427 ESP Fit Center 1487 is at -6.005848 2.908498 -0.457581 ESP Fit Center 1488 is at -5.766729 0.939182 -0.457581 ESP Fit Center 1489 is at -5.884540 2.515403 -0.775808 ESP Fit Center 1490 is at -5.944689 2.097052 -0.775808 ESP Fit Center 1491 is at -5.884540 1.678700 -0.775808 ESP Fit Center 1492 is at -5.708963 1.294241 -0.775808 ESP Fit Center 1493 is at -5.606597 1.882672 -1.036970 ESP Fit Center 1494 is at -5.451711 1.482865 -1.036970 ESP Fit Center 1495 is at -5.155734 1.695234 -1.231031 ESP Fit Center 1496 is at -4.861583 1.401083 -1.231031 ESP Fit Center 1497 is at -5.061437 -2.950548 2.035205 ESP Fit Center 1498 is at -4.634506 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Center 1627 is at -5.691402 3.747997 -0.159603 ESP Fit Center 1628 is at -5.894278 3.378967 -0.159603 ESP Fit Center 1629 is at -3.184793 3.907979 -0.594419 ESP Fit Center 1630 is at -3.520876 4.165865 -0.594419 ESP Fit Center 1631 is at -3.912254 4.327979 -0.594419 ESP Fit Center 1632 is at -4.332254 4.383273 -0.594419 ESP Fit Center 1633 is at -4.752254 4.327979 -0.594419 ESP Fit Center 1634 is at -5.143632 4.165865 -0.594419 ESP Fit Center 1635 is at -5.479715 3.907979 -0.594419 ESP Fit Center 1636 is at -5.737601 3.571896 -0.594419 ESP Fit Center 1637 is at -5.899715 3.180518 -0.594419 ESP Fit Center 1638 is at -3.130140 3.580105 -0.999603 ESP Fit Center 1639 is at -3.425124 3.898022 -0.999603 ESP Fit Center 1640 is at -3.800711 4.114867 -0.999603 ESP Fit Center 1641 is at -4.223527 4.211373 -0.999603 ESP Fit Center 1642 is at -4.656005 4.178963 -0.999603 ESP Fit Center 1643 is at -5.059715 4.020518 -0.999603 ESP Fit Center 1644 is at -5.398788 3.750117 -0.999603 ESP Fit Center 1645 is at -5.643094 3.391785 -0.999603 ESP Fit Center 1646 is at -5.770926 2.977363 -0.999603 ESP Fit Center 1647 is at -5.770926 2.543673 -0.999603 ESP Fit Center 1648 is at -3.144314 2.760518 -1.347543 ESP Fit Center 1649 is at -3.224533 3.189651 -1.347543 ESP Fit Center 1650 is at -3.454356 3.560828 -1.347543 ESP Fit Center 1651 is at -3.802744 3.823918 -1.347543 ESP Fit Center 1652 is at -4.222645 3.943390 -1.347543 ESP Fit Center 1653 is at -4.657349 3.903109 -1.347543 ESP Fit Center 1654 is at -5.048147 3.708514 -1.347543 ESP Fit Center 1655 is at -5.342260 3.385888 -1.347543 ESP Fit Center 1656 is at -5.499966 2.978801 -1.347543 ESP Fit Center 1657 is at -5.499966 2.542235 -1.347543 ESP Fit Center 1658 is at -5.342260 2.135149 -1.347543 ESP Fit Center 1659 is at -5.048147 1.812522 -1.347543 ESP Fit Center 1660 is at -4.657349 1.617928 -1.347543 ESP Fit Center 1661 is at -3.492254 2.760518 -1.614526 ESP Fit Center 1662 is at -3.604793 3.180518 -1.614526 ESP Fit Center 1663 is at 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Center 1700 is at -2.817656 2.943553 2.765536 ESP Fit Center 1701 is at -3.047478 3.314729 2.765536 ESP Fit Center 1702 is at -3.395866 3.577819 2.765536 ESP Fit Center 1703 is at -3.815767 3.697292 2.765536 ESP Fit Center 1704 is at -4.250471 3.657010 2.765536 ESP Fit Center 1705 is at -4.641270 3.462416 2.765536 ESP Fit Center 1706 is at -4.935383 3.139789 2.765536 ESP Fit Center 1707 is at -5.093089 2.732703 2.765536 ESP Fit Center 1708 is at -5.093089 2.296136 2.765536 ESP Fit Center 1709 is at -4.935383 1.889050 2.765536 ESP Fit Center 1710 is at -4.641270 1.566424 2.765536 ESP Fit Center 1711 is at -4.250471 1.371829 2.765536 ESP Fit Center 1712 is at -3.815767 1.331548 2.765536 ESP Fit Center 1713 is at -3.395866 1.451020 2.765536 ESP Fit Center 1714 is at -3.047478 1.714110 2.765536 ESP Fit Center 1715 is at -2.817656 2.085287 2.765536 ESP Fit Center 1716 is at -2.470454 2.514420 2.417597 ESP Fit Center 1717 is at -2.535092 2.943266 2.417597 ESP Fit Center 1718 is at -2.723263 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Center 1737 is at -4.345376 4.081881 2.012413 ESP Fit Center 1738 is at -4.736754 3.919767 2.012413 ESP Fit Center 1739 is at -5.072838 3.661881 2.012413 ESP Fit Center 1740 is at -2.700709 3.664459 1.577597 ESP Fit Center 1741 is at -3.025187 3.932891 1.577597 ESP Fit Center 1742 is at -3.406228 4.112195 1.577597 ESP Fit Center 1743 is at -3.819888 4.191105 1.577597 ESP Fit Center 1744 is at -4.240177 4.164662 1.577597 ESP Fit Center 1745 is at -4.640685 4.034529 1.577597 ESP Fit Center 1746 is at -3.113999 3.919767 1.142781 ESP Fit Center 1747 is at -3.505376 4.081881 1.142781 ESP Fit Center 1748 is at -3.925376 4.137175 1.142781 ESP Fit Center 1749 is at -5.669209 -2.814451 1.899545 ESP Fit Center 1750 is at -5.451801 -3.191013 1.899545 ESP Fit Center 1751 is at -5.016985 -3.191013 1.899545 ESP Fit Center 1752 is at -6.074393 -2.814451 1.731712 ESP Fit Center 1753 is at -5.961854 -3.234451 1.731712 ESP Fit Center 1754 is at -5.654393 -3.541913 1.731712 ESP Fit Center 1755 is at 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-5.654393 -3.541913 -1.178133 ESP Fit Center 1828 is at -5.234393 -3.654451 -1.178133 ESP Fit Center 1829 is at -4.814393 -3.541913 -1.178133 ESP Fit Center 1830 is at -5.669209 -2.814451 -1.345966 ESP Fit Center 1831 is at -5.451801 -3.191013 -1.345966 ESP Fit Center 1832 is at -5.016985 -3.191013 -1.345966 ESP Fit Center 1833 is at -5.977692 0.106048 0.424962 ESP Fit Center 1834 is at -6.316764 -0.164354 0.424962 ESP Fit Center 1835 is at -6.561071 -0.522685 0.424962 ESP Fit Center 1836 is at -6.688903 -0.937107 0.424962 ESP Fit Center 1837 is at -6.061608 0.251395 0.019778 ESP Fit Center 1838 is at -6.397692 -0.006491 0.019778 ESP Fit Center 1839 is at -6.655578 -0.342575 0.019778 ESP Fit Center 1840 is at -6.817692 -0.733952 0.019778 ESP Fit Center 1841 is at -6.872986 -1.153952 0.019778 ESP Fit Center 1842 is at -6.817692 -1.573952 0.019778 ESP Fit Center 1843 is at -5.965540 0.366157 -0.415038 ESP Fit Center 1844 is at -6.321103 0.140510 -0.415038 ESP Fit Center 1845 is at -6.609379 -0.166473 -0.415038 ESP Fit Center 1846 is at -6.812255 -0.535503 -0.415038 ESP Fit Center 1847 is at -6.916983 -0.943392 -0.415038 ESP Fit Center 1848 is at -6.916983 -1.364512 -0.415038 ESP Fit Center 1849 is at -6.812255 -1.772402 -0.415038 ESP Fit Center 1850 is at -5.670231 0.413509 -0.849854 ESP Fit Center 1851 is at -6.061608 0.251395 -0.849854 ESP Fit Center 1852 is at -6.397692 -0.006491 -0.849854 ESP Fit Center 1853 is at -6.655578 -0.342575 -0.849854 ESP Fit Center 1854 is at -6.817692 -0.733952 -0.849854 ESP Fit Center 1855 is at -6.872986 -1.153952 -0.849854 ESP Fit Center 1856 is at -6.817692 -1.573952 -0.849854 ESP Fit Center 1857 is at -6.655578 -1.965330 -0.849854 ESP Fit Center 1858 is at -5.141504 0.296902 -1.255038 ESP Fit Center 1859 is at -5.573981 0.264492 -1.255038 ESP Fit Center 1860 is at -5.977692 0.106048 -1.255038 ESP Fit Center 1861 is at -6.316764 -0.164354 -1.255038 ESP Fit Center 1862 is at -6.561071 -0.522685 -1.255038 ESP Fit Center 1863 is at -6.688903 -0.937107 -1.255038 ESP Fit Center 1864 is at -6.688903 -1.370797 -1.255038 ESP Fit Center 1865 is at -6.561071 -1.785220 -1.255038 ESP Fit Center 1866 is at -6.316764 -2.143551 -1.255038 ESP Fit Center 1867 is at -4.142510 -0.724819 -1.602977 ESP Fit Center 1868 is at -4.372333 -0.353643 -1.602977 ESP Fit Center 1869 is at -4.720720 -0.090553 -1.602977 ESP Fit Center 1870 is at -5.140621 0.028920 -1.602977 ESP Fit Center 1871 is at -5.575326 -0.011362 -1.602977 ESP Fit Center 1872 is at -5.966124 -0.205956 -1.602977 ESP Fit Center 1873 is at -6.260237 -0.528583 -1.602977 ESP Fit Center 1874 is at -6.417943 -0.935669 -1.602977 ESP Fit Center 1875 is at -6.417943 -1.372236 -1.602977 ESP Fit Center 1876 is at -6.260237 -1.779322 -1.602977 ESP Fit Center 1877 is at -5.966124 -2.101948 -1.602977 ESP Fit Center 1878 is at -5.575326 -2.296543 -1.602977 ESP Fit Center 1879 is at -4.410231 -1.153952 -1.869960 ESP Fit Center 1880 is at -4.522769 -0.733952 -1.869960 ESP Fit Center 1881 is at -4.830231 -0.426491 -1.869960 ESP Fit Center 1882 is at -5.250231 -0.313952 -1.869960 ESP Fit Center 1883 is at -5.670231 -0.426491 -1.869960 ESP Fit Center 1884 is at -5.977692 -0.733952 -1.869960 ESP Fit Center 1885 is at -6.090231 -1.153952 -1.869960 ESP Fit Center 1886 is at -5.977692 -1.573952 -1.869960 ESP Fit Center 1887 is at -5.670231 -1.881414 -1.869960 ESP Fit Center 1888 is at -5.250231 -1.993952 -1.869960 ESP Fit Center 1889 is at -4.830231 -1.881414 -1.869960 ESP Fit Center 1890 is at -4.522769 -1.573952 -1.869960 ESP Fit Center 1891 is at -4.815415 -1.153952 -2.037793 ESP Fit Center 1892 is at -5.032823 -0.777391 -2.037793 ESP Fit Center 1893 is at -5.467639 -0.777391 -2.037793 ESP Fit Center 1894 is at -5.685047 -1.153952 -2.037793 ESP Fit Center 1895 is at -5.467639 -1.530514 -2.037793 ESP Fit Center 1896 is at -5.032823 -1.530514 -2.037793 ESP Fit Center 1897 is at -5.250231 -1.153952 -2.095038 ESP Fit Center 1898 is at -4.795791 -1.403928 2.982827 ESP Fit Center 1899 is at -4.360975 -1.403928 2.925583 ESP Fit Center 1900 is at -4.578383 -1.027366 2.925583 ESP Fit Center 1901 is at -5.013199 -1.027366 2.925583 ESP Fit Center 1902 is at -5.230607 -1.403928 2.925583 ESP Fit Center 1903 is at -5.013199 -1.780490 2.925583 ESP Fit Center 1904 is at -4.578383 -1.780490 2.925583 ESP Fit Center 1905 is at -3.955791 -1.403928 2.757750 ESP Fit Center 1906 is at -4.068330 -0.983928 2.757750 ESP Fit Center 1907 is at -4.375791 -0.676467 2.757750 ESP Fit Center 1908 is at -4.795791 -0.563928 2.757750 ESP Fit Center 1909 is at -5.215791 -0.676467 2.757750 ESP Fit Center 1910 is at -5.523253 -0.983928 2.757750 ESP Fit Center 1911 is at -5.635791 -1.403928 2.757750 ESP Fit Center 1912 is at -5.523253 -1.823928 2.757750 ESP Fit Center 1913 is at -5.215791 -2.131389 2.757750 ESP Fit Center 1914 is at -4.795791 -2.243928 2.757750 ESP Fit Center 1915 is at -4.375791 -2.131389 2.757750 ESP Fit Center 1916 is at -4.068330 -1.823928 2.757750 ESP Fit Center 1917 is at -3.607852 -1.403928 2.490767 ESP Fit Center 1918 is at -3.688071 -0.974795 2.490767 ESP Fit Center 1919 is at -3.917893 -0.603618 2.490767 ESP Fit Center 1920 is at -4.266281 -0.340528 2.490767 ESP Fit Center 1921 is at -4.686182 -0.221056 2.490767 ESP Fit Center 1922 is at -5.120886 -0.261337 2.490767 ESP Fit Center 1923 is at -5.511685 -0.455932 2.490767 ESP Fit Center 1924 is at -5.805798 -0.778558 2.490767 ESP Fit Center 1925 is at -5.963504 -1.185645 2.490767 ESP Fit Center 1926 is at -5.963504 -1.622211 2.490767 ESP Fit Center 1927 is at -5.805798 -2.029297 2.490767 ESP Fit Center 1928 is at -5.511685 -2.351924 2.490767 ESP Fit Center 1929 is at -5.120886 -2.546519 2.490767 ESP Fit Center 1930 is at -4.686182 -2.586800 2.490767 ESP Fit Center 1931 is at -4.266281 -2.467328 2.490767 ESP Fit Center 1932 is at -3.917893 -2.204238 2.490767 ESP Fit Center 1933 is at -3.688071 -1.833061 2.490767 ESP Fit Center 1934 is at -3.340869 -1.403928 2.142827 ESP Fit Center 1935 is at -3.405507 -0.975082 2.142827 ESP Fit Center 1936 is at -3.593678 -0.584341 2.142827 ESP Fit Center 1937 is at -3.888662 -0.266424 2.142827 ESP Fit Center 1938 is at -4.687065 0.046926 2.142827 ESP Fit Center 1939 is at -5.119542 0.014517 2.142827 ESP Fit Center 1940 is at -5.523253 -0.143928 2.142827 ESP Fit Center 1941 is at -5.862325 -0.414329 2.142827 ESP Fit Center 1942 is at -6.106631 -0.772661 2.142827 ESP Fit Center 1943 is at -6.234464 -1.187083 2.142827 ESP Fit Center 1944 is at -6.234464 -1.620773 2.142827 ESP Fit Center 1945 is at -6.106631 -2.035195 2.142827 ESP Fit Center 1946 is at -5.862325 -2.393527 2.142827 ESP Fit Center 1947 is at -5.523253 -2.663928 2.142827 ESP Fit Center 1948 is at -5.119542 -2.822373 2.142827 ESP Fit Center 1949 is at -4.687065 -2.854782 2.142827 ESP Fit Center 1950 is at -4.264248 -2.758277 2.142827 ESP Fit Center 1951 is at -3.888662 -2.541432 2.142827 ESP Fit Center 1952 is at -3.593678 -2.223515 2.142827 ESP Fit Center 1953 is at -3.405507 -1.832774 2.142827 ESP Fit Center 1954 is at -5.607169 0.001419 1.737643 ESP Fit Center 1955 is at -5.943253 -0.256467 1.737643 ESP Fit Center 1956 is at -6.201139 -0.592550 1.737643 ESP Fit Center 1957 is at -6.363253 -0.983928 1.737643 ESP Fit Center 1958 is at -6.418547 -1.403928 1.737643 ESP Fit Center 1959 is at -6.363253 -1.823928 1.737643 ESP Fit Center 1960 is at -5.866663 -0.109466 1.302827 ESP Fit Center 1961 is at -6.154940 -0.416449 1.302827 ESP Fit Center 1962 is at -6.357816 -0.785479 1.302827 ESP Fit Center 1963 is at 5.306215 1.750787 0.677056 ESP Fit Center 1964 is at 5.256658 2.174776 0.677056 ESP Fit Center 1965 is at 5.546169 1.750787 0.334366 ESP Fit Center 1966 is at 2.946737 3.762897 0.334366 ESP Fit Center 1967 is at 2.552366 3.616839 0.334366 ESP Fit Center 1968 is at 5.377726 0.931134 0.334366 ESP Fit Center 1969 is at 5.503623 1.332396 0.334366 ESP Fit Center 1970 is at 5.722970 1.750787 -0.044786 ESP Fit Center 1971 is at 2.730084 3.882012 -0.044786 ESP Fit Center 1972 is at 2.340077 3.703901 -0.044786 ESP Fit Center 1973 is at 1.990825 3.455200 -0.044786 ESP Fit Center 1974 is at 1.694952 3.144898 -0.044786 ESP Fit Center 1975 is at 5.561421 0.912591 -0.044786 ESP Fit Center 1976 is at 5.682215 1.323976 -0.044786 ESP Fit Center 1977 is at 5.831247 1.750787 -0.448879 ESP Fit Center 1978 is at 2.538778 3.924126 -0.448879 ESP Fit Center 1979 is at 2.165642 3.723333 -0.448879 ESP Fit Center 1980 is at 1.834355 3.459140 -0.448879 ESP Fit Center 1981 is at 5.793264 1.328761 -0.448879 ESP Fit Center 1982 is at 5.867708 1.750787 -0.865634 ESP Fit Center 1983 is at 2.646860 4.006049 -0.865634 ESP Fit Center 1984 is at 2.267708 3.829248 -0.865634 ESP Fit Center 1985 is at 5.831247 1.750787 -1.282390 ESP Fit Center 1986 is at 2.538778 3.924126 -1.282390 ESP Fit Center 1987 is at 5.722970 1.750787 -1.686483 ESP Fit Center 1988 is at 2.730084 3.882012 -1.686483 ESP Fit Center 1989 is at 5.503623 2.169178 -2.065634 ESP Fit Center 1990 is at 2.946737 3.762897 -2.065634 ESP Fit Center 1991 is at 5.256658 2.174776 -2.408325 ESP Fit Center 1992 is at 3.360809 3.586183 -2.408325 ESP Fit Center 1993 is at 4.953191 2.167000 -2.704141 ESP Fit Center 1994 is at 4.785813 2.552344 -2.704141 ESP Fit Center 1995 is at 4.520676 2.878240 -2.704141 ESP Fit Center 1996 is at 4.177446 3.120519 -2.704141 ESP Fit Center 1997 is at 3.781578 3.261210 -2.704141 ESP Fit Center 1998 is at 3.362431 3.289881 -2.704141 ESP Fit Center 1999 is at 4.667708 1.750787 -2.944095 ESP Fit Center 2000 is at 4.595339 2.161211 -2.944095 ESP Fit Center 2001 is at 4.386961 2.522132 -2.944095 ESP Fit Center 2002 is at 4.067708 2.790017 -2.944095 ESP Fit Center 2003 is at 3.676086 2.932556 -2.944095 ESP Fit Center 2004 is at 4.288557 1.750787 -3.120897 ESP Fit Center 2005 is at 4.178584 2.161211 -3.120897 ESP Fit Center 2006 is at 3.878132 2.461662 -3.120897 ESP Fit Center 2007 is at 3.467708 2.571635 -3.120897 ESP Fit Center 2008 is at 3.884464 1.750787 -3.229173 ESP Fit Center 2009 is at 3.676086 2.111708 -3.229173 ESP Fit Center 2010 is at 3.259330 1.389866 -3.229173 ESP Fit Center 2011 is at 3.676086 1.389866 -3.229173 ESP Fit Center 2012 is at 3.467708 1.750787 -3.265634 ESP Fit Center 2013 is at 4.927965 2.641283 0.891119 ESP Fit Center 2014 is at 4.816357 3.057811 0.891119 ESP Fit Center 2015 is at 4.511437 3.362731 0.891119 ESP Fit Center 2016 is at 4.094908 3.474340 0.891119 ESP Fit Center 2017 is at 5.292009 2.641283 0.662375 ESP Fit Center 2018 is at 5.219815 3.050715 0.662375 ESP Fit Center 2019 is at 5.011940 3.410764 0.662375 ESP Fit Center 2020 is at 4.693458 3.678002 0.662375 ESP Fit Center 2021 is at 4.302783 3.820197 0.662375 ESP Fit Center 2022 is at 3.887034 3.820197 0.662375 ESP Fit Center 2023 is at 3.496358 3.678002 0.662375 ESP Fit Center 2024 is at 5.596025 2.641283 0.358359 ESP Fit Center 2025 is at 5.535219 3.064196 0.358359 ESP Fit Center 2026 is at 5.357728 3.452848 0.358359 ESP Fit Center 2027 is at 5.077930 3.775751 0.358359 ESP Fit Center 2028 is at 4.718495 4.006746 0.358359 ESP Fit Center 2029 is at 4.308539 4.127120 0.358359 ESP Fit Center 2030 is at 3.881277 4.127120 0.358359 ESP Fit Center 2031 is at 3.471322 4.006746 0.358359 ESP Fit Center 2032 is at 5.535219 2.218369 0.358359 ESP Fit Center 2033 is at 5.824768 2.641283 -0.005685 ESP Fit Center 2034 is at 5.774502 3.055265 -0.005685 ESP Fit Center 2035 is at 5.626623 3.445189 -0.005685 ESP Fit Center 2036 is at 5.389727 3.788392 -0.005685 ESP Fit Center 2037 is at 5.077581 4.064930 -0.005685 ESP Fit Center 2038 is at 4.708325 4.258730 -0.005685 ESP Fit Center 2039 is at 4.303420 4.358530 -0.005685 ESP Fit Center 2040 is at 3.886397 4.358530 -0.005685 ESP Fit Center 2041 is at 3.481491 4.258730 -0.005685 ESP Fit Center 2042 is at 3.112236 4.064930 -0.005685 ESP Fit Center 2043 is at 5.774502 2.227300 -0.005685 ESP Fit Center 2044 is at 5.966770 2.641283 -0.411501 ESP Fit Center 2045 is at 5.919838 3.057811 -0.411501 ESP Fit Center 2046 is at 5.781397 3.453453 -0.411501 ESP Fit Center 2047 is at 5.558389 3.808369 -0.411501 ESP Fit Center 2048 is at 5.261995 4.104763 -0.411501 ESP Fit Center 2049 is at 4.907079 4.327772 -0.411501 ESP Fit Center 2050 is at 4.511437 4.466213 -0.411501 ESP Fit Center 2051 is at 4.094908 4.513144 -0.411501 ESP Fit Center 2052 is at 3.678380 4.466213 -0.411501 ESP Fit Center 2053 is at 3.282738 4.327772 -0.411501 ESP Fit Center 2054 is at 2.927822 4.104763 -0.411501 ESP Fit Center 2055 is at 5.919838 2.224754 -0.411501 ESP Fit Center 2056 is at 6.014908 2.641283 -0.838742 ESP Fit Center 2057 is at 5.970020 3.054026 -0.838742 ESP Fit Center 2058 is at 5.837453 3.447470 -0.838742 ESP Fit Center 2059 is at 5.623407 3.803217 -0.838742 ESP Fit Center 2060 is at 5.337890 4.104634 -0.838742 ESP Fit Center 2061 is at 4.994252 4.337626 -0.838742 ESP Fit Center 2062 is at 4.608563 4.491299 -0.838742 ESP Fit Center 2063 is at 4.198855 4.558467 -0.838742 ESP Fit Center 2064 is at 3.784287 4.535990 -0.838742 ESP Fit Center 2065 is at 3.384243 4.424918 -0.838742 ESP Fit Center 2066 is at 3.017429 4.230446 -0.838742 ESP Fit Center 2067 is at 5.970020 2.228540 -0.838742 ESP Fit Center 2068 is at 5.966770 2.641283 -1.265982 ESP Fit Center 2069 is at 5.919838 3.057811 -1.265982 ESP Fit Center 2070 is at 5.781397 3.453453 -1.265982 ESP Fit Center 2071 is at 5.558389 3.808369 -1.265982 ESP Fit Center 2072 is at 5.261995 4.104763 -1.265982 ESP Fit Center 2073 is at 4.907079 4.327772 -1.265982 ESP Fit Center 2074 is at 4.511437 4.466213 -1.265982 ESP Fit Center 2075 is at 4.094908 4.513144 -1.265982 ESP Fit Center 2076 is at 3.678380 4.466213 -1.265982 ESP Fit Center 2077 is at 3.282738 4.327772 -1.265982 ESP Fit Center 2078 is at 2.927822 4.104763 -1.265982 ESP Fit Center 2079 is at 5.919838 2.224754 -1.265982 ESP Fit Center 2080 is at 5.824768 2.641283 -1.671798 ESP Fit Center 2081 is at 5.774502 3.055265 -1.671798 ESP Fit Center 2082 is at 5.626623 3.445189 -1.671798 ESP Fit Center 2083 is at 5.389727 3.788392 -1.671798 ESP Fit Center 2084 is at 5.077581 4.064930 -1.671798 ESP Fit Center 2085 is at 4.708325 4.258730 -1.671798 ESP Fit Center 2086 is at 4.303420 4.358530 -1.671798 ESP Fit Center 2087 is at 3.886397 4.358530 -1.671798 ESP Fit Center 2088 is at 3.481491 4.258730 -1.671798 ESP Fit Center 2089 is at 3.112236 4.064930 -1.671798 ESP Fit Center 2090 is at 5.774502 2.227300 -1.671798 ESP Fit Center 2091 is at 5.596025 2.641283 -2.035842 ESP Fit Center 2092 is at 5.535219 3.064196 -2.035842 ESP Fit Center 2093 is at 5.357728 3.452848 -2.035842 ESP Fit Center 2094 is at 5.077930 3.775751 -2.035842 ESP Fit Center 2095 is at 4.718495 4.006746 -2.035842 ESP Fit Center 2096 is at 4.308539 4.127120 -2.035842 ESP Fit Center 2097 is at 3.881277 4.127120 -2.035842 ESP Fit Center 2098 is at 3.471322 4.006746 -2.035842 ESP Fit Center 2099 is at 5.535219 2.218369 -2.035842 ESP Fit Center 2100 is at 5.292009 2.641283 -2.339858 ESP Fit Center 2101 is at 5.219815 3.050715 -2.339858 ESP Fit Center 2102 is at 5.011940 3.410764 -2.339858 ESP Fit Center 2103 is at 4.693458 3.678002 -2.339858 ESP Fit Center 2104 is at 4.302783 3.820197 -2.339858 ESP Fit Center 2105 is at 3.887034 3.820197 -2.339858 ESP Fit Center 2106 is at 3.496358 3.678002 -2.339858 ESP Fit Center 2107 is at 4.927965 2.641283 -2.568602 ESP Fit Center 2108 is at 4.816357 3.057811 -2.568602 ESP Fit Center 2109 is at 4.511437 3.362731 -2.568602 ESP Fit Center 2110 is at 4.094908 3.474340 -2.568602 ESP Fit Center 2111 is at 1.596916 3.374285 -0.632852 ESP Fit Center 2112 is at 2.163061 3.775568 -1.038668 ESP Fit Center 2113 is at 1.767419 3.637127 -1.038668 ESP Fit Center 2114 is at 1.412502 3.414118 -1.038668 ESP Fit Center 2115 is at 2.268967 3.845345 -1.465908 ESP Fit Center 2116 is at 1.868924 3.734273 -1.465908 ESP Fit Center 2117 is at 1.502110 3.539801 -1.465908 ESP Fit Center 2118 is at 1.185678 3.271021 -1.465908 ESP Fit Center 2119 is at 2.579589 3.822499 -1.893148 ESP Fit Center 2120 is at 2.163061 3.775568 -1.893148 ESP Fit Center 2121 is at 1.767419 3.637127 -1.893148 ESP Fit Center 2122 is at 1.412502 3.414118 -1.893148 ESP Fit Center 2123 is at 1.116109 3.117724 -1.893148 ESP Fit Center 2124 is at 2.788101 3.667885 -2.298965 ESP Fit Center 2125 is at 2.371077 3.667885 -2.298965 ESP Fit Center 2126 is at 1.966172 3.568085 -2.298965 ESP Fit Center 2127 is at 1.596916 3.374285 -2.298965 ESP Fit Center 2128 is at 1.284770 3.097747 -2.298965 ESP Fit Center 2129 is at 1.047874 2.754544 -2.298965 ESP Fit Center 2130 is at 2.793220 3.436475 -2.663009 ESP Fit Center 2131 is at 2.365958 3.436475 -2.663009 ESP Fit Center 2132 is at 1.956003 3.316101 -2.663009 ESP Fit Center 2133 is at 1.596567 3.085106 -2.663009 ESP Fit Center 2134 is at 1.316769 2.762203 -2.663009 ESP Fit Center 2135 is at 3.178139 2.987357 -2.967025 ESP Fit Center 2136 is at 2.787463 3.129552 -2.967025 ESP Fit Center 2137 is at 2.371715 3.129552 -2.967025 ESP Fit Center 2138 is at 1.981039 2.987357 -2.967025 ESP Fit Center 2139 is at 1.662557 2.720119 -2.967025 ESP Fit Center 2140 is at 3.301037 2.367166 -3.195769 ESP Fit Center 2141 is at 2.996117 2.672086 -3.195769 ESP Fit Center 2142 is at 2.579589 2.783695 -3.195769 ESP Fit Center 2143 is at 2.163061 2.672086 -3.195769 ESP Fit Center 2144 is at 3.006829 1.950638 -3.337770 ESP Fit Center 2145 is at 2.793209 2.320639 -3.337770 ESP Fit Center 2146 is at 2.365969 2.320639 -3.337770 ESP Fit Center 2147 is at 2.579589 1.950638 -3.385908 ESP Fit Center 2148 is at 5.467288 0.503969 -0.111440 ESP Fit Center 2149 is at 5.756837 0.926883 -0.475484 ESP Fit Center 2150 is at 5.321796 -0.220227 -0.475484 ESP Fit Center 2151 is at 5.558692 0.122976 -0.475484 ESP Fit Center 2152 is at 5.706570 0.512900 -0.475484 ESP Fit Center 2153 is at 5.898838 0.926883 -0.881301 ESP Fit Center 2154 is at 5.851907 1.343411 -0.881301 ESP Fit Center 2155 is at 5.194063 -0.536598 -0.881301 ESP Fit Center 2156 is at 5.490457 -0.240204 -0.881301 ESP Fit Center 2157 is at 5.713466 0.114712 -0.881301 ESP Fit Center 2158 is at 5.851907 0.510354 -0.881301 ESP Fit Center 2159 is at 5.946977 0.926883 -1.308541 ESP Fit Center 2160 is at 5.902088 1.339626 -1.308541 ESP Fit Center 2161 is at 4.926321 -0.769461 -1.308541 ESP Fit Center 2162 is at 5.269959 -0.536469 -1.308541 ESP Fit Center 2163 is at 5.555476 -0.235052 -1.308541 ESP Fit Center 2164 is at 5.769522 0.120695 -1.308541 ESP Fit Center 2165 is at 5.902088 0.514139 -1.308541 ESP Fit Center 2166 is at 5.898838 0.926883 -1.735781 ESP Fit Center 2167 is at 5.851907 1.343411 -1.735781 ESP Fit Center 2168 is at 5.713466 1.739053 -1.735781 ESP Fit Center 2169 is at 4.026977 -0.944979 -1.735781 ESP Fit Center 2170 is at 4.443505 -0.898048 -1.735781 ESP Fit Center 2171 is at 4.839147 -0.759606 -1.735781 ESP Fit Center 2172 is at 5.194063 -0.536598 -1.735781 ESP Fit Center 2173 is at 5.490457 -0.240204 -1.735781 ESP Fit Center 2174 is at 5.713466 0.114712 -1.735781 ESP Fit Center 2175 is at 5.851907 0.510354 -1.735781 ESP Fit Center 2176 is at 5.756837 0.926883 -2.141598 ESP Fit Center 2177 is at 5.706570 1.340865 -2.141598 ESP Fit Center 2178 is at 5.558692 1.730789 -2.141598 ESP Fit Center 2179 is at 3.818465 -0.790365 -2.141598 ESP Fit Center 2180 is at 4.235488 -0.790365 -2.141598 ESP Fit Center 2181 is at 4.640394 -0.690565 -2.141598 ESP Fit Center 2182 is at 5.009649 -0.496764 -2.141598 ESP Fit Center 2183 is at 5.321796 -0.220227 -2.141598 ESP Fit Center 2184 is at 5.558692 0.122976 -2.141598 ESP Fit Center 2185 is at 5.706570 0.512900 -2.141598 ESP Fit Center 2186 is at 5.528093 0.926883 -2.505641 ESP Fit Center 2187 is at 5.467288 1.349796 -2.505641 ESP Fit Center 2188 is at 5.289796 1.738447 -2.505641 ESP Fit Center 2189 is at 3.813346 -0.558955 -2.505641 ESP Fit Center 2190 is at 4.240608 -0.558955 -2.505641 ESP Fit Center 2191 is at 4.650563 -0.438581 -2.505641 ESP Fit Center 2192 is at 5.009999 -0.207586 -2.505641 ESP Fit Center 2193 is at 5.289796 0.115318 -2.505641 ESP Fit Center 2194 is at 5.467288 0.503969 -2.505641 ESP Fit Center 2195 is at 5.224077 0.926883 -2.809657 ESP Fit Center 2196 is at 5.151883 1.336315 -2.809657 ESP Fit Center 2197 is at 4.944009 1.696364 -2.809657 ESP Fit Center 2198 is at 3.819103 -0.252031 -2.809657 ESP Fit Center 2199 is at 4.234851 -0.252031 -2.809657 ESP Fit Center 2200 is at 4.625527 -0.109837 -2.809657 ESP Fit Center 2201 is at 4.944009 0.157401 -2.809657 ESP Fit Center 2202 is at 5.151883 0.517450 -2.809657 ESP Fit Center 2203 is at 4.860034 0.926883 -3.038401 ESP Fit Center 2204 is at 4.748425 1.343411 -3.038401 ESP Fit Center 2205 is at 3.610448 0.205434 -3.038401 ESP Fit Center 2206 is at 4.026977 0.093826 -3.038401 ESP Fit Center 2207 is at 4.443505 0.205434 -3.038401 ESP Fit Center 2208 is at 4.748425 0.510354 -3.038401 ESP Fit Center 2209 is at 4.454217 0.926883 -3.180402 ESP Fit Center 2210 is at 4.240597 1.296883 -3.180402 ESP Fit Center 2211 is at 3.599737 0.926883 -3.180402 ESP Fit Center 2212 is at 3.813357 0.556882 -3.180402 ESP Fit Center 2213 is at 4.240597 0.556882 -3.180402 ESP Fit Center 2214 is at 4.026977 0.926883 -3.228541 ESP Fit Center 2215 is at 3.895821 1.410686 2.518900 ESP Fit Center 2216 is at 3.787411 1.815277 2.518900 ESP Fit Center 2217 is at 3.491230 2.111458 2.518900 ESP Fit Center 2218 is at 3.086640 2.219868 2.518900 ESP Fit Center 2219 is at 4.265848 1.410686 2.334648 ESP Fit Center 2220 is at 4.186218 1.836665 2.334648 ESP Fit Center 2221 is at 3.958085 2.205114 2.334648 ESP Fit Center 2222 is at 3.612258 2.466270 2.334648 ESP Fit Center 2223 is at 3.195443 2.584864 2.334648 ESP Fit Center 2224 is at 2.763934 2.544879 2.334648 ESP Fit Center 2225 is at 4.534590 1.835843 2.085542 ESP Fit Center 2226 is at 4.356157 2.226556 2.085542 ESP Fit Center 2227 is at 4.074876 2.551171 2.085542 ESP Fit Center 2228 is at 3.713533 2.783392 2.085542 ESP Fit Center 2229 is at 3.301404 2.904404 2.085542 ESP Fit Center 2230 is at 2.871875 2.904404 2.085542 ESP Fit Center 2231 is at 2.459746 2.783392 2.085542 ESP Fit Center 2232 is at 4.826014 1.822926 1.780064 ESP Fit Center 2233 is at 4.684060 2.212941 1.780064 ESP Fit Center 2234 is at 4.455989 2.559707 1.780064 ESP Fit Center 2235 is at 4.154096 2.844528 1.780064 ESP Fit Center 2236 is at 3.794655 3.052051 1.780064 ESP Fit Center 2237 is at 3.397046 3.171088 1.780064 ESP Fit Center 2238 is at 2.982702 3.195221 1.780064 ESP Fit Center 2239 is at 2.573962 3.123149 1.780064 ESP Fit Center 2240 is at 2.192860 2.958757 1.780064 ESP Fit Center 2241 is at 5.047988 1.827584 1.428616 ESP Fit Center 2242 is at 4.918450 2.226261 1.428616 ESP Fit Center 2243 is at 4.708853 2.589293 1.428616 ESP Fit Center 2244 is at 4.428357 2.900815 1.428616 ESP Fit Center 2245 is at 4.089223 3.147211 1.428616 ESP Fit Center 2246 is at 3.706270 3.317712 1.428616 ESP Fit Center 2247 is at 3.296237 3.404868 1.428616 ESP Fit Center 2248 is at 2.877043 3.404868 1.428616 ESP Fit Center 2249 is at 2.467009 3.317712 1.428616 ESP Fit Center 2250 is at 2.084057 3.147211 1.428616 ESP Fit Center 2251 is at 1.744922 2.900815 1.428616 ESP Fit Center 2252 is at 5.241129 1.410686 1.043167 ESP Fit Center 2253 is at 5.199731 1.831006 1.043167 ESP Fit Center 2254 is at 5.077128 2.235174 1.043167 ESP Fit Center 2255 is at 4.878032 2.607656 1.043167 ESP Fit Center 2256 is at 4.610094 2.934140 1.043167 ESP Fit Center 2257 is at 4.283610 3.202079 1.043167 ESP Fit Center 2258 is at 3.911127 3.401175 1.043167 ESP Fit Center 2259 is at 3.506960 3.523778 1.043167 ESP Fit Center 2260 is at 3.086640 3.565176 1.043167 ESP Fit Center 2261 is at 2.666320 3.523778 1.043167 ESP Fit Center 2262 is at 2.262152 3.401175 1.043167 ESP Fit Center 2263 is at 1.889669 3.202079 1.043167 ESP Fit Center 2264 is at 1.563186 2.934140 1.043167 ESP Fit Center 2265 is at 5.317084 1.410686 0.636843 ESP Fit Center 2266 is at 3.192768 3.638604 0.636843 ESP Fit Center 2267 is at 2.769214 3.618428 0.636843 ESP Fit Center 2268 is at 2.357133 3.518458 0.636843 ESP Fit Center 2269 is at 1.971417 3.342308 0.636843 ESP Fit Center 2270 is at 1.626009 3.096344 0.636843 ESP Fit Center 2271 is at 1.971417 3.342308 0.223481 ESP Fit Center 2272 is at 1.626009 3.096344 0.223481 ESP Fit Center 2273 is at 3.829615 0.910398 2.822734 ESP Fit Center 2274 is at 3.604922 1.267995 2.822734 ESP Fit Center 2275 is at 3.306289 1.566627 2.822734 ESP Fit Center 2276 is at 3.961426 1.268830 2.532175 ESP Fit Center 2277 is at 2.643532 2.207299 2.532175 ESP Fit Center 2278 is at 2.233953 2.266187 2.532175 ESP Fit Center 2279 is at 2.233215 2.512721 2.203221 ESP Fit Center 2280 is at 1.822648 2.495280 2.203221 ESP Fit Center 2281 is at 1.420934 2.408704 2.203221 ESP Fit Center 2282 is at 1.039630 2.255483 2.203221 ESP Fit Center 2283 is at 1.039630 -2.071296 2.203221 ESP Fit Center 2284 is at 1.420934 -2.224517 2.203221 ESP Fit Center 2285 is at 1.822648 -2.311093 2.203221 ESP Fit Center 2286 is at 1.720571 2.679580 1.842571 ESP Fit Center 2287 is at 1.320844 2.583615 1.842571 ESP Fit Center 2288 is at 0.941051 2.426299 1.842571 ESP Fit Center 2289 is at 0.590544 2.211508 1.842571 ESP Fit Center 2290 is at 0.277952 1.944530 1.842571 ESP Fit Center 2291 is at -0.489352 0.092094 1.842571 ESP Fit Center 2292 is at -0.457098 -0.317724 1.842571 ESP Fit Center 2293 is at -0.361133 -0.717451 1.842571 ESP Fit Center 2294 is at -0.203817 -1.097244 1.842571 ESP Fit Center 2295 is at 0.010974 -1.447751 1.842571 ESP Fit Center 2296 is at 0.277952 -1.760342 1.842571 ESP Fit Center 2297 is at 0.590544 -2.027321 1.842571 ESP Fit Center 2298 is at 0.941051 -2.242112 1.842571 ESP Fit Center 2299 is at 1.320844 -2.399427 1.842571 ESP Fit Center 2300 is at 1.720571 -2.495393 1.842571 ESP Fit Center 2301 is at 1.515487 2.786151 1.457565 ESP Fit Center 2302 is at 1.120827 2.664414 1.457565 ESP Fit Center 2303 is at 0.748718 2.485216 1.457565 ESP Fit Center 2304 is at 0.104717 -1.787455 1.457565 ESP Fit Center 2305 is at 0.407474 -2.068372 1.457565 ESP Fit Center 2306 is at 0.748718 -2.301029 1.457565 ESP Fit Center 2307 is at 1.120827 -2.480227 1.457565 ESP Fit Center 2308 is at 1.515487 -2.601963 1.457565 ESP Fit Center 2309 is at 1.923884 -2.663519 1.457565 ESP Fit Center 2310 is at 1.209958 2.790096 1.056042 ESP Fit Center 2311 is at 0.826934 -2.443141 1.056042 ESP Fit Center 2312 is at 1.209958 -2.605909 1.056042 ESP Fit Center 2313 is at 1.612599 -2.711173 1.056042 ESP Fit Center 2314 is at 0.263707 -2.070633 1.149492 ESP Fit Center 2315 is at 3.290990 -1.484714 -1.926008 ESP Fit Center 2316 is at 3.447507 -1.106849 -1.926008 ESP Fit Center 2317 is at 3.085575 -1.484010 -2.303053 ESP Fit Center 2318 is at 3.254985 -1.109233 -2.303053 ESP Fit Center 2319 is at 2.810241 -1.484944 -2.648824 ESP Fit Center 2320 is at 3.000945 -1.115029 -2.648824 ESP Fit Center 2321 is at -0.663242 0.680451 -2.955598 ESP Fit Center 2322 is at -0.836161 0.306692 -2.955598 ESP Fit Center 2323 is at -0.924691 -0.095502 -2.955598 ESP Fit Center 2324 is at -0.924691 -0.507323 -2.955598 ESP Fit Center 2325 is at -0.836161 -0.909517 -2.955598 ESP Fit Center 2326 is at -0.663242 -1.283276 -2.955598 ESP Fit Center 2327 is at -0.414018 -1.611125 -2.955598 ESP Fit Center 2328 is at 2.484775 -1.453957 -2.955598 ESP Fit Center 2329 is at -0.554922 0.106822 -3.216521 ESP Fit Center 2330 is at -0.608667 -0.301412 -3.216521 ESP Fit Center 2331 is at -0.554922 -0.709647 -3.216521 ESP Fit Center 2332 is at -0.397350 -1.090061 -3.216521 ESP Fit Center 2333 is at -0.146688 -1.416729 -3.216521 ESP Fit Center 2334 is at 0.179981 -1.667391 -3.216521 ESP Fit Center 2335 is at 2.083946 -1.416729 -3.216521 ESP Fit Center 2336 is at -0.246246 -0.301412 -3.425766 ESP Fit Center 2337 is at -0.172980 -0.716924 -3.425766 ESP Fit Center 2338 is at 0.037981 -1.082319 -3.425766 ESP Fit Center 2339 is at 0.361192 -1.353525 -3.425766 ESP Fit Center 2340 is at 0.757668 -1.497830 -3.425766 ESP Fit Center 2341 is at 1.179590 -1.497830 -3.425766 ESP Fit Center 2342 is at 0.555972 -1.016156 -3.578657 ESP Fit Center 2343 is at 1.742254 0.092239 4.304324 ESP Fit Center 2344 is at 2.153853 0.092239 4.266184 ESP Fit Center 2345 is at 1.948053 0.448694 4.266184 ESP Fit Center 2346 is at 1.536455 0.448694 4.266184 ESP Fit Center 2347 is at 1.330655 0.092239 4.266184 ESP Fit Center 2348 is at 1.536455 -0.264217 4.266184 ESP Fit Center 2349 is at 1.948053 -0.264217 4.266184 ESP Fit Center 2350 is at 2.551435 0.092239 4.153062 ESP Fit Center 2351 is at 2.443026 0.496829 4.153062 ESP Fit Center 2352 is at 2.146845 0.793010 4.153062 ESP Fit Center 2353 is at 1.742254 0.901420 4.153062 ESP Fit Center 2354 is at 1.337663 0.793010 4.153062 ESP Fit Center 2355 is at 1.041482 0.496829 4.153062 ESP Fit Center 2356 is at 0.933073 0.092239 4.153062 ESP Fit Center 2357 is at 1.041482 -0.312352 4.153062 ESP Fit Center 2358 is at 1.337663 -0.608533 4.153062 ESP Fit Center 2359 is at 1.742254 -0.716943 4.153062 ESP Fit Center 2360 is at 2.146845 -0.608533 4.153062 ESP Fit Center 2361 is at 2.443026 -0.312352 4.153062 ESP Fit Center 2362 is at 2.921462 0.092239 3.968810 ESP Fit Center 2363 is at 2.841833 0.518218 3.968810 ESP Fit Center 2364 is at 2.613699 0.886666 3.968810 ESP Fit Center 2365 is at 2.267872 1.147822 3.968810 ESP Fit Center 2366 is at 1.851058 1.266416 3.968810 ESP Fit Center 2367 is at 1.419548 1.226431 3.968810 ESP Fit Center 2368 is at 1.031622 1.033267 3.968810 ESP Fit Center 2369 is at 0.739671 0.713012 3.968810 ESP Fit Center 2370 is at 0.583124 0.308917 3.968810 ESP Fit Center 2371 is at 0.583124 -0.124440 3.968810 ESP Fit Center 2372 is at 0.739671 -0.528534 3.968810 ESP Fit Center 2373 is at 1.031622 -0.848790 3.968810 ESP Fit Center 2374 is at 1.419548 -1.041954 3.968810 ESP Fit Center 2375 is at 1.851058 -1.081939 3.968810 ESP Fit Center 2376 is at 2.267872 -0.963345 3.968810 ESP Fit Center 2377 is at 2.613699 -0.702189 3.968810 ESP Fit Center 2378 is at 2.841833 -0.333741 3.968810 ESP Fit Center 2379 is at 3.251332 0.092239 3.719704 ESP Fit Center 2380 is at 3.190204 0.517395 3.719704 ESP Fit Center 2381 is at 3.011771 0.908108 3.719704 ESP Fit Center 2382 is at 2.730490 1.232724 3.719704 ESP Fit Center 2383 is at 2.369148 1.464944 3.719704 ESP Fit Center 2384 is at 1.957018 1.585957 3.719704 ESP Fit Center 2385 is at 1.527490 1.585957 3.719704 ESP Fit Center 2386 is at 1.115360 1.464944 3.719704 ESP Fit Center 2387 is at 0.754018 1.232724 3.719704 ESP Fit Center 2388 is at 0.472737 0.908108 3.719704 ESP Fit Center 2389 is at 0.294304 0.517395 3.719704 ESP Fit Center 2390 is at 0.233176 0.092239 3.719704 ESP Fit Center 2391 is at 0.294304 -0.332918 3.719704 ESP Fit Center 2392 is at 0.472737 -0.723631 3.719704 ESP Fit Center 2393 is at 0.754018 -1.048247 3.719704 ESP Fit Center 2394 is at 1.115360 -1.280467 3.719704 ESP Fit Center 2395 is at 1.527490 -1.401479 3.719704 ESP Fit Center 2396 is at 1.957018 -1.401479 3.719704 ESP Fit Center 2397 is at 2.369148 -1.280467 3.719704 ESP Fit Center 2398 is at 3.190204 -0.332918 3.719704 ESP Fit Center 2399 is at 3.529813 0.092239 3.414226 ESP Fit Center 2400 is at 3.481629 0.504478 3.414226 ESP Fit Center 2401 is at 3.339675 0.894493 3.414226 ESP Fit Center 2402 is at 3.111603 1.241259 3.414226 ESP Fit Center 2403 is at 2.809710 1.526081 3.414226 ESP Fit Center 2404 is at 2.450270 1.733604 3.414226 ESP Fit Center 2405 is at 2.052660 1.852640 3.414226 ESP Fit Center 2406 is at 1.638317 1.876773 3.414226 ESP Fit Center 2407 is at 1.229576 1.804701 3.414226 ESP Fit Center 2408 is at 0.848475 1.640310 3.414226 ESP Fit Center 2409 is at 0.515557 1.392462 3.414226 ESP Fit Center 2410 is at 0.248771 1.074518 3.414226 ESP Fit Center 2411 is at 0.062498 0.703620 3.414226 ESP Fit Center 2412 is at -0.033218 0.299761 3.414226 ESP Fit Center 2413 is at -0.033218 -0.115284 3.414226 ESP Fit Center 2414 is at 0.062498 -0.519142 3.414226 ESP Fit Center 2415 is at 0.248771 -0.890041 3.414226 ESP Fit Center 2416 is at 0.515557 -1.207984 3.414226 ESP Fit Center 2417 is at 0.848475 -1.455833 3.414226 ESP Fit Center 2418 is at 1.229576 -1.620224 3.414226 ESP Fit Center 2419 is at 1.638317 -1.692296 3.414226 ESP Fit Center 2420 is at 2.052660 -1.668163 3.414226 ESP Fit Center 2421 is at 3.703602 0.509136 3.062778 ESP Fit Center 2422 is at 3.574064 0.907813 3.062778 ESP Fit Center 2423 is at 3.364467 1.270845 3.062778 ESP Fit Center 2424 is at 3.083972 1.582367 3.062778 ESP Fit Center 2425 is at 2.744837 1.828763 3.062778 ESP Fit Center 2426 is at 2.361884 1.999265 3.062778 ESP Fit Center 2427 is at 1.951851 2.086420 3.062778 ESP Fit Center 2428 is at 1.532657 2.086420 3.062778 ESP Fit Center 2429 is at 1.122624 1.999265 3.062778 ESP Fit Center 2430 is at 0.739671 1.828763 3.062778 ESP Fit Center 2431 is at 0.400536 1.582367 3.062778 ESP Fit Center 2432 is at 0.120041 1.270845 3.062778 ESP Fit Center 2433 is at -0.089556 0.907813 3.062778 ESP Fit Center 2434 is at -0.219094 0.509136 3.062778 ESP Fit Center 2435 is at -0.262912 0.092239 3.062778 ESP Fit Center 2436 is at -0.219094 -0.324659 3.062778 ESP Fit Center 2437 is at -0.089556 -0.723336 3.062778 ESP Fit Center 2438 is at 0.120041 -1.086368 3.062778 ESP Fit Center 2439 is at 0.400536 -1.397890 3.062778 ESP Fit Center 2440 is at 0.739671 -1.644286 3.062778 ESP Fit Center 2441 is at 1.122624 -1.814787 3.062778 ESP Fit Center 2442 is at 1.532657 -1.901943 3.062778 ESP Fit Center 2443 is at 2.162574 2.205330 2.677329 ESP Fit Center 2444 is at 1.742254 2.246728 2.677329 ESP Fit Center 2445 is at 1.321934 2.205330 2.677329 ESP Fit Center 2446 is at 0.917767 2.082727 2.677329 ESP Fit Center 2447 is at 0.545284 1.883631 2.677329 ESP Fit Center 2448 is at 0.218800 1.615693 2.677329 ESP Fit Center 2449 is at -0.049139 1.289209 2.677329 ESP Fit Center 2450 is at -0.248235 0.916726 2.677329 ESP Fit Center 2451 is at -0.370838 0.512559 2.677329 ESP Fit Center 2452 is at -0.412235 0.092239 2.677329 ESP Fit Center 2453 is at -0.370838 -0.328081 2.677329 ESP Fit Center 2454 is at -0.248235 -0.732249 2.677329 ESP Fit Center 2455 is at -0.049139 -1.104732 2.677329 ESP Fit Center 2456 is at 0.218800 -1.431216 2.677329 ESP Fit Center 2457 is at 0.545284 -1.699154 2.677329 ESP Fit Center 2458 is at 0.917767 -1.898250 2.677329 ESP Fit Center 2459 is at 1.321934 -2.020853 2.677329 ESP Fit Center 2460 is at 1.742254 -2.062251 2.677329 ESP Fit Center 2461 is at 1.012747 2.200010 2.271005 ESP Fit Center 2462 is at 0.627032 2.023860 2.271005 ESP Fit Center 2463 is at 0.281623 1.777896 2.271005 ESP Fit Center 2464 is at -0.010994 1.471008 2.271005 ESP Fit Center 2465 is at -0.240244 1.114287 2.271005 ESP Fit Center 2466 is at -0.397842 0.720627 2.271005 ESP Fit Center 2467 is at -0.478091 0.304256 2.271005 ESP Fit Center 2468 is at -0.478091 -0.119779 2.271005 ESP Fit Center 2469 is at -0.397842 -0.536150 2.271005 ESP Fit Center 2470 is at -0.240244 -0.929810 2.271005 ESP Fit Center 2471 is at -0.010994 -1.286531 2.271005 ESP Fit Center 2472 is at 0.281623 -1.593419 2.271005 ESP Fit Center 2473 is at 0.627032 -1.839383 2.271005 ESP Fit Center 2474 is at 1.012747 -2.015533 2.271005 ESP Fit Center 2475 is at -0.478091 -0.119779 1.857643 ESP Fit Center 2476 is at 2.245274 -2.823347 1.406659 ESP Fit Center 2477 is at 2.050887 -2.878215 1.021210 ESP Fit Center 2478 is at 2.423370 -3.077311 1.021210 ESP Fit Center 2479 is at 2.132635 -3.018444 0.614886 ESP Fit Center 2480 is at 2.518350 -3.194594 0.614886 ESP Fit Center 2481 is at 2.930432 -3.294564 0.614886 ESP Fit Center 2482 is at 2.518350 -3.194594 0.201524 ESP Fit Center 2483 is at 2.930432 -3.294564 0.201524 ESP Fit Center 2484 is at 3.353986 -3.314740 0.201524 ESP Fit Center 2485 is at 2.827537 -3.199914 -0.204800 ESP Fit Center 2486 is at 3.247857 -3.241312 -0.204800 ESP Fit Center 2487 is at 3.668177 -3.199914 -0.204800 ESP Fit Center 2488 is at 3.038260 -3.081004 -0.590249 ESP Fit Center 2489 is at 3.457454 -3.081004 -0.590249 ESP Fit Center 2490 is at 3.867487 -2.993848 -0.590249 ESP Fit Center 2491 is at 5.035416 -1.086822 -0.941697 ESP Fit Center 2492 is at 3.143920 -2.871357 -0.941697 ESP Fit Center 2493 is at 3.558263 -2.847224 -0.941697 ESP Fit Center 2494 is at 3.955873 -2.728187 -0.941697 ESP Fit Center 2495 is at 4.315313 -2.520664 -0.941697 ESP Fit Center 2496 is at 4.617206 -2.235843 -0.941697 ESP Fit Center 2497 is at 4.845278 -1.889077 -0.941697 ESP Fit Center 2498 is at 4.987232 -1.499062 -0.941697 ESP Fit Center 2499 is at 4.756935 -1.086822 -1.247175 ESP Fit Center 2500 is at 3.462621 -2.580540 -1.247175 ESP Fit Center 2501 is at 3.874751 -2.459528 -1.247175 ESP Fit Center 2502 is at 4.236093 -2.227308 -1.247175 ESP Fit Center 2503 is at 4.517374 -1.902692 -1.247175 ESP Fit Center 2504 is at 4.695807 -1.511979 -1.247175 ESP Fit Center 2505 is at 4.427065 -1.086822 -1.496282 ESP Fit Center 2506 is at 3.356661 -2.261000 -1.496282 ESP Fit Center 2507 is at 3.773475 -2.142406 -1.496282 ESP Fit Center 2508 is at 4.119302 -1.881250 -1.496282 ESP Fit Center 2509 is at 4.347436 -1.512801 -1.496282 ESP Fit Center 2510 is at 4.057038 -1.086822 -1.680533 ESP Fit Center 2511 is at 3.652448 -1.787594 -1.680533 ESP Fit Center 2512 is at 3.948629 -1.491413 -1.680533 ESP Fit Center 2513 is at 3.659456 -1.086822 -1.793655 ESP Fit Center 2514 is at 3.453656 -1.443277 -1.793655 ESP Fit Center 2515 is at 4.994210 -1.340837 3.672848 ESP Fit Center 2516 is at 4.884238 -0.930412 3.672848 ESP Fit Center 2517 is at 4.583786 -0.629961 3.672848 ESP Fit Center 2518 is at 5.373362 -1.340837 3.496047 ESP Fit Center 2519 is at 5.300993 -0.930412 3.496047 ESP Fit Center 2520 is at 4.381740 -0.159067 3.496047 ESP Fit Center 2521 is at 5.300993 -1.751261 3.496047 ESP Fit Center 2522 is at 5.716052 -1.340837 3.256092 ESP Fit Center 2523 is at 5.658845 -0.924624 3.256092 ESP Fit Center 2524 is at 3.656746 0.112780 3.256092 ESP Fit Center 2525 is at 5.226330 -2.468290 3.256092 ESP Fit Center 2526 is at 5.491466 -2.142394 3.256092 ESP Fit Center 2527 is at 5.658845 -1.757049 3.256092 ESP Fit Center 2528 is at 6.011869 -1.340837 2.960276 ESP Fit Center 2529 is at 4.901557 -3.028983 2.960276 ESP Fit Center 2530 is at 5.271242 -2.815545 2.960276 ESP Fit Center 2531 is at 5.581740 -2.522606 2.960276 ESP Fit Center 2532 is at 5.816312 -2.165957 2.960276 ESP Fit Center 2533 is at 5.962311 -1.764825 2.960276 ESP Fit Center 2534 is at 6.251823 -1.340837 2.617586 ESP Fit Center 2535 is at 4.488099 -3.395329 2.617586 ESP Fit Center 2536 is at 6.083380 -2.160490 2.617586 ESP Fit Center 2537 is at 6.209277 -1.759228 2.617586 ESP Fit Center 2538 is at 6.428624 -1.340837 2.238434 ESP Fit Center 2539 is at 3.852405 -3.573144 2.238434 ESP Fit Center 2540 is at 4.280672 -3.593544 2.238434 ESP Fit Center 2541 is at 6.387869 -1.767648 2.238434 ESP Fit Center 2542 is at 6.536901 -1.340837 1.834341 ESP Fit Center 2543 is at 3.244432 -3.514176 1.834341 ESP Fit Center 2544 is at 3.647425 -3.645116 1.834341 ESP Fit Center 2545 is at 6.573362 -1.340837 1.417586 ESP Fit Center 2546 is at 2.334855 -2.883527 1.417586 ESP Fit Center 2547 is at 2.630672 -3.179343 1.417586 ESP Fit Center 2548 is at 2.973362 -3.419298 1.417586 ESP Fit Center 2549 is at 3.352514 -3.596099 1.417586 ESP Fit Center 2550 is at 3.756606 -3.704375 1.417586 ESP Fit Center 2551 is at 2.871296 -3.313383 1.000830 ESP Fit Center 2552 is at 3.244432 -3.514176 1.000830 ESP Fit Center 2553 is at 6.387869 -0.914025 0.596737 ESP Fit Center 2554 is at 3.435738 -3.472061 0.596737 ESP Fit Center 2555 is at 6.209277 -0.922446 0.217586 ESP Fit Center 2556 is at 6.083380 -0.521183 0.217586 ESP Fit Center 2557 is at 5.962311 -0.916848 -0.125105 ESP Fit Center 2558 is at 5.816312 -0.515716 -0.125105 ESP Fit Center 2559 is at 5.581740 -0.159067 -0.125105 ESP Fit Center 2560 is at 5.716052 -1.340837 -0.420921 ESP Fit Center 2561 is at 5.658845 -0.924624 -0.420921 ESP Fit Center 2562 is at 5.491466 -0.539280 -0.420921 ESP Fit Center 2563 is at 5.373362 -1.340837 -0.660875 ESP Fit Center 2564 is at 5.300993 -0.930412 -0.660875 ESP Fit Center 2565 is at 3.648608 -1.635712 4.245991 ESP Fit Center 2566 is at 4.075849 -1.635712 4.197852 ESP Fit Center 2567 is at 3.862228 -1.265711 4.197852 ESP Fit Center 2568 is at 3.434988 -1.265711 4.197852 ESP Fit Center 2569 is at 3.221368 -1.635712 4.197852 ESP Fit Center 2570 is at 3.434988 -2.005712 4.197852 ESP Fit Center 2571 is at 3.862228 -2.005712 4.197852 ESP Fit Center 2572 is at 4.481665 -1.635712 4.055851 ESP Fit Center 2573 is at 4.370057 -1.219183 4.055851 ESP Fit Center 2574 is at 4.065137 -0.914263 4.055851 ESP Fit Center 2575 is at 3.648608 -0.802655 4.055851 ESP Fit Center 2576 is at 3.232080 -0.914263 4.055851 ESP Fit Center 2577 is at 2.927160 -1.219183 4.055851 ESP Fit Center 2578 is at 2.815552 -1.635712 4.055851 ESP Fit Center 2579 is at 2.927160 -2.052240 4.055851 ESP Fit Center 2580 is at 3.232080 -2.357160 4.055851 ESP Fit Center 2581 is at 3.648608 -2.468768 4.055851 ESP Fit Center 2582 is at 4.065137 -2.357160 4.055851 ESP Fit Center 2583 is at 4.370057 -2.052240 4.055851 ESP Fit Center 2584 is at 4.845709 -1.635712 3.827107 ESP Fit Center 2585 is at 4.773515 -1.226279 3.827107 ESP Fit Center 2586 is at 4.565640 -0.866230 3.827107 ESP Fit Center 2587 is at 4.247159 -0.598992 3.827107 ESP Fit Center 2588 is at 3.856483 -0.456798 3.827107 ESP Fit Center 2589 is at 3.440734 -0.456798 3.827107 ESP Fit Center 2590 is at 3.050058 -0.598992 3.827107 ESP Fit Center 2591 is at 2.523702 -1.226279 3.827107 ESP Fit Center 2592 is at 2.451508 -1.635712 3.827107 ESP Fit Center 2593 is at 2.523702 -2.045144 3.827107 ESP Fit Center 2594 is at 2.731576 -2.405193 3.827107 ESP Fit Center 2595 is at 3.050058 -2.672431 3.827107 ESP Fit Center 2596 is at 3.440734 -2.814625 3.827107 ESP Fit Center 2597 is at 3.856483 -2.814625 3.827107 ESP Fit Center 2598 is at 4.247159 -2.672431 3.827107 ESP Fit Center 2599 is at 4.565640 -2.405193 3.827107 ESP Fit Center 2600 is at 4.773515 -2.045144 3.827107 ESP Fit Center 2601 is at 3.862239 -0.149874 3.523091 ESP Fit Center 2602 is at 3.434977 -0.149874 3.523091 ESP Fit Center 2603 is at 2.147492 -1.635712 3.523091 ESP Fit Center 2604 is at 2.208298 -2.058625 3.523091 ESP Fit Center 2605 is at 2.385789 -2.447276 3.523091 ESP Fit Center 2606 is at 2.665586 -2.770180 3.523091 ESP Fit Center 2607 is at 3.025022 -3.001175 3.523091 ESP Fit Center 2608 is at 3.434977 -3.121549 3.523091 ESP Fit Center 2609 is at 3.862239 -3.121549 3.523091 ESP Fit Center 2610 is at 4.272195 -3.001175 3.523091 ESP Fit Center 2611 is at 4.631631 -2.770180 3.523091 ESP Fit Center 2612 is at 4.911428 -2.447276 3.523091 ESP Fit Center 2613 is at 5.088919 -2.058625 3.523091 ESP Fit Center 2614 is at 1.969015 -2.049694 3.159047 ESP Fit Center 2615 is at 2.116893 -2.439618 3.159047 ESP Fit Center 2616 is at 2.353789 -2.782821 3.159047 ESP Fit Center 2617 is at 2.665936 -3.059359 3.159047 ESP Fit Center 2618 is at 3.035191 -3.253159 3.159047 ESP Fit Center 2619 is at 3.440097 -3.352959 3.159047 ESP Fit Center 2620 is at 3.857120 -3.352959 3.159047 ESP Fit Center 2621 is at 4.262025 -3.253159 3.159047 ESP Fit Center 2622 is at 4.631281 -3.059359 3.159047 ESP Fit Center 2623 is at 1.823678 -2.052240 2.753231 ESP Fit Center 2624 is at 1.962119 -2.447882 2.753231 ESP Fit Center 2625 is at 2.185128 -2.802798 2.753231 ESP Fit Center 2626 is at 2.481522 -3.099192 2.753231 ESP Fit Center 2627 is at 2.836438 -3.322201 2.753231 ESP Fit Center 2628 is at 3.232080 -3.460642 2.753231 ESP Fit Center 2629 is at 3.648608 -3.507573 2.753231 ESP Fit Center 2630 is at 4.065137 -3.460642 2.753231 ESP Fit Center 2631 is at 4.460779 -3.322201 2.753231 ESP Fit Center 2632 is at 1.829114 -2.248770 2.325991 ESP Fit Center 2633 is at 2.003443 -2.625575 2.325991 ESP Fit Center 2634 is at 2.254697 -2.956095 2.325991 ESP Fit Center 2635 is at 2.571129 -3.224874 2.325991 ESP Fit Center 2636 is at 2.937943 -3.419347 2.325991 ESP Fit Center 2637 is at 3.337987 -3.530418 2.325991 ESP Fit Center 2638 is at 3.752555 -3.552896 2.325991 ESP Fit Center 2639 is at 2.185128 -2.802798 1.898750 ESP Fit Center 2640 is at 2.481522 -3.099192 1.898750 ESP Fit Center 2641 is at 2.836438 -3.322201 1.898750 ESP Fit Center 2642 is at 5.048028 -3.324036 2.607313 ESP Fit Center 2643 is at 5.438704 -3.181841 2.607313 ESP Fit Center 2644 is at 5.757186 -2.914603 2.607313 ESP Fit Center 2645 is at 5.965060 -2.554554 2.607313 ESP Fit Center 2646 is at 6.341270 -2.145122 2.303297 ESP Fit Center 2647 is at 4.626523 -3.630959 2.303297 ESP Fit Center 2648 is at 5.053785 -3.630959 2.303297 ESP Fit Center 2649 is at 5.463740 -3.510585 2.303297 ESP Fit Center 2650 is at 5.823176 -3.279590 2.303297 ESP Fit Center 2651 is at 6.102973 -2.956687 2.303297 ESP Fit Center 2652 is at 6.280464 -2.568035 2.303297 ESP Fit Center 2653 is at 6.570014 -2.145122 1.939254 ESP Fit Center 2654 is at 6.519747 -1.731139 1.939254 ESP Fit Center 2655 is at 4.226737 -3.762569 1.939254 ESP Fit Center 2656 is at 4.631642 -3.862369 1.939254 ESP Fit Center 2657 is at 5.048665 -3.862369 1.939254 ESP Fit Center 2658 is at 5.453571 -3.762569 1.939254 ESP Fit Center 2659 is at 5.822826 -3.568769 1.939254 ESP Fit Center 2660 is at 6.134973 -3.292231 1.939254 ESP Fit Center 2661 is at 6.371869 -2.949028 1.939254 ESP Fit Center 2662 is at 6.519747 -2.559105 1.939254 ESP Fit Center 2663 is at 6.712015 -2.145122 1.533437 ESP Fit Center 2664 is at 6.665084 -1.728594 1.533437 ESP Fit Center 2665 is at 4.027983 -3.831611 1.533437 ESP Fit Center 2666 is at 4.423625 -3.970052 1.533437 ESP Fit Center 2667 is at 4.840154 -4.016983 1.533437 ESP Fit Center 2668 is at 5.256682 -3.970052 1.533437 ESP Fit Center 2669 is at 5.652324 -3.831611 1.533437 ESP Fit Center 2670 is at 6.007240 -3.608602 1.533437 ESP Fit Center 2671 is at 6.303634 -3.312209 1.533437 ESP Fit Center 2672 is at 6.526643 -2.957292 1.533437 ESP Fit Center 2673 is at 6.665084 -2.561650 1.533437 ESP Fit Center 2674 is at 6.760154 -2.145122 1.106197 ESP Fit Center 2675 is at 6.715265 -1.732379 1.106197 ESP Fit Center 2676 is at 6.582699 -1.338935 1.106197 ESP Fit Center 2677 is at 3.762675 -3.734285 1.106197 ESP Fit Center 2678 is at 4.129488 -3.928757 1.106197 ESP Fit Center 2679 is at 4.529532 -4.039829 1.106197 ESP Fit Center 2680 is at 4.944100 -4.062306 1.106197 ESP Fit Center 2681 is at 5.353808 -3.995138 1.106197 ESP Fit Center 2682 is at 5.739498 -3.841465 1.106197 ESP Fit Center 2683 is at 6.083135 -3.608473 1.106197 ESP Fit Center 2684 is at 6.368652 -3.307056 1.106197 ESP Fit Center 2685 is at 6.582699 -2.951309 1.106197 ESP Fit Center 2686 is at 6.715265 -2.557865 1.106197 ESP Fit Center 2687 is at 6.712015 -2.145122 0.678957 ESP Fit Center 2688 is at 6.665084 -1.728594 0.678957 ESP Fit Center 2689 is at 6.526643 -1.332952 0.678957 ESP Fit Center 2690 is at 3.673067 -3.608602 0.678957 ESP Fit Center 2691 is at 4.027983 -3.831611 0.678957 ESP Fit Center 2692 is at 4.423625 -3.970052 0.678957 ESP Fit Center 2693 is at 4.840154 -4.016983 0.678957 ESP Fit Center 2694 is at 5.256682 -3.970052 0.678957 ESP Fit Center 2695 is at 5.652324 -3.831611 0.678957 ESP Fit Center 2696 is at 6.007240 -3.608602 0.678957 ESP Fit Center 2697 is at 6.303634 -3.312209 0.678957 ESP Fit Center 2698 is at 6.526643 -2.957292 0.678957 ESP Fit Center 2699 is at 6.665084 -2.561650 0.678957 ESP Fit Center 2700 is at 6.570014 -2.145122 0.273140 ESP Fit Center 2701 is at 6.519747 -1.731139 0.273140 ESP Fit Center 2702 is at 6.371869 -1.341216 0.273140 ESP Fit Center 2703 is at 3.857481 -3.568769 0.273140 ESP Fit Center 2704 is at 4.226737 -3.762569 0.273140 ESP Fit Center 2705 is at 4.631642 -3.862369 0.273140 ESP Fit Center 2706 is at 5.048665 -3.862369 0.273140 ESP Fit Center 2707 is at 5.453571 -3.762569 0.273140 ESP Fit Center 2708 is at 5.822826 -3.568769 0.273140 ESP Fit Center 2709 is at 6.134973 -3.292231 0.273140 ESP Fit Center 2710 is at 6.371869 -2.949028 0.273140 ESP Fit Center 2711 is at 6.519747 -2.559105 0.273140 ESP Fit Center 2712 is at 6.341270 -2.145122 -0.090904 ESP Fit Center 2713 is at 6.280464 -1.722209 -0.090904 ESP Fit Center 2714 is at 6.102973 -1.333557 -0.090904 ESP Fit Center 2715 is at 3.857131 -3.279590 -0.090904 ESP Fit Center 2716 is at 4.216567 -3.510585 -0.090904 ESP Fit Center 2717 is at 4.626523 -3.630959 -0.090904 ESP Fit Center 2718 is at 5.053785 -3.630959 -0.090904 ESP Fit Center 2719 is at 5.463740 -3.510585 -0.090904 ESP Fit Center 2720 is at 5.823176 -3.279590 -0.090904 ESP Fit Center 2721 is at 6.102973 -2.956687 -0.090904 ESP Fit Center 2722 is at 6.280464 -2.568035 -0.090904 ESP Fit Center 2723 is at 6.037254 -2.145122 -0.394920 ESP Fit Center 2724 is at 5.965060 -1.735689 -0.394920 ESP Fit Center 2725 is at 5.757186 -1.375641 -0.394920 ESP Fit Center 2726 is at 4.241603 -3.181841 -0.394920 ESP Fit Center 2727 is at 4.632279 -3.324036 -0.394920 ESP Fit Center 2728 is at 5.048028 -3.324036 -0.394920 ESP Fit Center 2729 is at 5.438704 -3.181841 -0.394920 ESP Fit Center 2730 is at 5.757186 -2.914603 -0.394920 ESP Fit Center 2731 is at 5.965060 -2.554554 -0.394920 ESP Fit Center 2732 is at 5.673210 -2.145122 -0.623663 ESP Fit Center 2733 is at 5.561602 -1.728594 -0.623663 ESP Fit Center 2734 is at 4.423625 -2.866570 -0.623663 ESP Fit Center 2735 is at 4.840154 -2.978179 -0.623663 ESP Fit Center 2736 is at 5.256682 -2.866570 -0.623663 ESP Fit Center 2737 is at 5.561602 -2.561650 -0.623663 ESP Fit Center 2738 is at 5.267394 -2.145122 -0.765665 ESP Fit Center 2739 is at 4.626534 -2.515123 -0.765665 ESP Fit Center 2740 is at 5.053774 -2.515123 -0.765665 ESP Fit Center 2741 is at 4.840154 -2.145122 -0.813803 ESP Fit Center 2742 is at 5.184467 -0.441144 3.482889 ESP Fit Center 2743 is at 4.970847 -0.071143 3.482889 ESP Fit Center 2744 is at 4.543607 -0.071143 3.482889 ESP Fit Center 2745 is at 5.590284 -0.441144 3.340887 ESP Fit Center 2746 is at 5.478675 -0.024615 3.340887 ESP Fit Center 2747 is at 5.173755 0.280305 3.340887 ESP Fit Center 2748 is at 4.757227 0.391913 3.340887 ESP Fit Center 2749 is at 4.340698 0.280305 3.340887 ESP Fit Center 2750 is at 5.954327 -0.441144 3.112144 ESP Fit Center 2751 is at 5.882133 -0.031711 3.112144 ESP Fit Center 2752 is at 5.674259 0.328338 3.112144 ESP Fit Center 2753 is at 5.355777 0.595576 3.112144 ESP Fit Center 2754 is at 4.965101 0.737770 3.112144 ESP Fit Center 2755 is at 4.549353 0.737770 3.112144 ESP Fit Center 2756 is at 4.158677 0.595576 3.112144 ESP Fit Center 2757 is at 3.840195 0.328338 3.112144 ESP Fit Center 2758 is at 5.882133 -0.850576 3.112144 ESP Fit Center 2759 is at 6.258343 -0.441144 2.808128 ESP Fit Center 2760 is at 6.197538 -0.018230 2.808128 ESP Fit Center 2761 is at 6.020046 0.370421 2.808128 ESP Fit Center 2762 is at 5.740249 0.693324 2.808128 ESP Fit Center 2763 is at 5.380813 0.924320 2.808128 ESP Fit Center 2764 is at 4.970858 1.044694 2.808128 ESP Fit Center 2765 is at 4.543596 1.044694 2.808128 ESP Fit Center 2766 is at 4.133641 0.924320 2.808128 ESP Fit Center 2767 is at 6.197538 -0.864057 2.808128 ESP Fit Center 2768 is at 6.487087 -0.441144 2.444084 ESP Fit Center 2769 is at 6.436820 -0.027161 2.444084 ESP Fit Center 2770 is at 6.288942 0.362762 2.444084 ESP Fit Center 2771 is at 6.052046 0.705966 2.444084 ESP Fit Center 2772 is at 5.739899 0.982503 2.444084 ESP Fit Center 2773 is at 5.370644 1.176304 2.444084 ESP Fit Center 2774 is at 4.965738 1.276104 2.444084 ESP Fit Center 2775 is at 4.548715 1.276104 2.444084 ESP Fit Center 2776 is at 4.143810 1.176304 2.444084 ESP Fit Center 2777 is at 6.436820 -0.855126 2.444084 ESP Fit Center 2778 is at 6.629088 -0.441144 2.038267 ESP Fit Center 2779 is at 6.582157 -0.024615 2.038267 ESP Fit Center 2780 is at 6.443716 0.371027 2.038267 ESP Fit Center 2781 is at 6.220707 0.725943 2.038267 ESP Fit Center 2782 is at 5.924313 1.022337 2.038267 ESP Fit Center 2783 is at 5.569397 1.245345 2.038267 ESP Fit Center 2784 is at 5.173755 1.383786 2.038267 ESP Fit Center 2785 is at 4.757227 1.430718 2.038267 ESP Fit Center 2786 is at 6.582157 -0.857672 2.038267 ESP Fit Center 2787 is at 6.677227 -0.441144 1.611027 ESP Fit Center 2788 is at 6.632338 -0.028400 1.611027 ESP Fit Center 2789 is at 6.499772 0.365043 1.611027 ESP Fit Center 2790 is at 6.285726 0.720791 1.611027 ESP Fit Center 2791 is at 6.000209 1.022207 1.611027 ESP Fit Center 2792 is at 5.656571 1.255199 1.611027 ESP Fit Center 2793 is at 5.270881 1.408872 1.611027 ESP Fit Center 2794 is at 6.632338 -0.853887 1.611027 ESP Fit Center 2795 is at 6.629088 -0.441144 1.183787 ESP Fit Center 2796 is at 6.582157 -0.024615 1.183787 ESP Fit Center 2797 is at 6.443716 0.371027 1.183787 ESP Fit Center 2798 is at 6.220707 0.725943 1.183787 ESP Fit Center 2799 is at 5.924313 1.022337 1.183787 ESP Fit Center 2800 is at 5.569397 1.245345 1.183787 ESP Fit Center 2801 is at 6.582157 -0.857672 1.183787 ESP Fit Center 2802 is at 6.487087 -0.441144 0.777970 ESP Fit Center 2803 is at 6.436820 -0.027161 0.777970 ESP Fit Center 2804 is at 6.288942 0.362762 0.777970 ESP Fit Center 2805 is at 6.052046 0.705966 0.777970 ESP Fit Center 2806 is at 5.739899 0.982503 0.777970 ESP Fit Center 2807 is at 5.370644 1.176304 0.777970 ESP Fit Center 2808 is at 6.436820 -0.855126 0.777970 ESP Fit Center 2809 is at 6.258343 -0.441144 0.413927 ESP Fit Center 2810 is at 6.197538 -0.018230 0.413927 ESP Fit Center 2811 is at 6.020046 0.370421 0.413927 ESP Fit Center 2812 is at 5.740249 0.693324 0.413927 ESP Fit Center 2813 is at 5.380813 0.924320 0.413927 ESP Fit Center 2814 is at 5.882133 -0.031711 0.109911 ESP Fit Center 2815 is at 5.674259 0.328338 0.109911 ESP Fit Center 2816 is at 5.355777 0.595576 0.109911 ESP Fit Center 2817 is at 5.478675 -0.024615 -0.118833 ESP Fit Center 2818 is at 0.751990 2.556180 -2.325624 ESP Fit Center 2819 is at 0.366275 2.380030 -2.325624 ESP Fit Center 2820 is at 3.357867 -0.757461 -2.325624 ESP Fit Center 2821 is at 1.061177 2.561500 -2.731948 ESP Fit Center 2822 is at 0.657010 2.438897 -2.731948 ESP Fit Center 2823 is at 0.284527 2.239801 -2.731948 ESP Fit Center 2824 is at -0.041957 1.971863 -2.731948 ESP Fit Center 2825 is at -0.309895 1.645379 -2.731948 ESP Fit Center 2826 is at -0.508992 1.272896 -2.731948 ESP Fit Center 2827 is at 3.004951 -1.075046 -2.731948 ESP Fit Center 2828 is at 3.272890 -0.748562 -2.731948 ESP Fit Center 2829 is at 3.471986 -0.376079 -2.731948 ESP Fit Center 2830 is at 3.486663 0.448408 -3.117396 ESP Fit Center 2831 is at 1.691094 2.442590 -3.117396 ESP Fit Center 2832 is at 1.271900 2.442590 -3.117396 ESP Fit Center 2833 is at 0.861867 2.355434 -3.117396 ESP Fit Center 2834 is at 0.478914 2.184933 -3.117396 ESP Fit Center 2835 is at 0.139779 1.938537 -3.117396 ESP Fit Center 2836 is at -0.140716 1.627015 -3.117396 ESP Fit Center 2837 is at -0.350313 1.263983 -3.117396 ESP Fit Center 2838 is at -0.479851 0.865306 -3.117396 ESP Fit Center 2839 is at 2.484080 -1.288116 -3.117396 ESP Fit Center 2840 is at 2.823215 -1.041720 -3.117396 ESP Fit Center 2841 is at 3.103710 -0.730198 -3.117396 ESP Fit Center 2842 is at 3.313307 -0.367166 -3.117396 ESP Fit Center 2843 is at 3.442845 0.031511 -3.117396 ESP Fit Center 2844 is at 3.269056 0.448408 -3.468844 ESP Fit Center 2845 is at 3.220872 0.860648 -3.468844 ESP Fit Center 2846 is at 3.078918 1.250663 -3.468844 ESP Fit Center 2847 is at 2.850846 1.597429 -3.468844 ESP Fit Center 2848 is at 2.548953 1.882251 -3.468844 ESP Fit Center 2849 is at 2.189513 2.089774 -3.468844 ESP Fit Center 2850 is at 1.791903 2.208810 -3.468844 ESP Fit Center 2851 is at 1.377560 2.232943 -3.468844 ESP Fit Center 2852 is at 0.968820 2.160871 -3.468844 ESP Fit Center 2853 is at 0.587718 1.996480 -3.468844 ESP Fit Center 2854 is at 0.254800 1.748631 -3.468844 ESP Fit Center 2855 is at -0.011986 1.430688 -3.468844 ESP Fit Center 2856 is at -0.198258 1.059790 -3.468844 ESP Fit Center 2857 is at -0.293975 0.655931 -3.468844 ESP Fit Center 2858 is at -0.293975 0.240886 -3.468844 ESP Fit Center 2859 is at -0.198258 -0.162973 -3.468844 ESP Fit Center 2860 is at 1.791903 -1.311993 -3.468844 ESP Fit Center 2861 is at 2.189513 -1.192957 -3.468844 ESP Fit Center 2862 is at 2.548953 -0.985434 -3.468844 ESP Fit Center 2863 is at 2.850846 -0.700612 -3.468844 ESP Fit Center 2864 is at 3.078918 -0.353846 -3.468844 ESP Fit Center 2865 is at 3.220872 0.036169 -3.468844 ESP Fit Center 2866 is at 2.990575 0.448408 -3.774322 ESP Fit Center 2867 is at 2.929447 0.873565 -3.774322 ESP Fit Center 2868 is at 2.751015 1.264278 -3.774322 ESP Fit Center 2869 is at 2.469733 1.588894 -3.774322 ESP Fit Center 2870 is at 2.108391 1.821114 -3.774322 ESP Fit Center 2871 is at 1.696261 1.942126 -3.774322 ESP Fit Center 2872 is at 1.266733 1.942126 -3.774322 ESP Fit Center 2873 is at 0.854603 1.821114 -3.774322 ESP Fit Center 2874 is at 0.493261 1.588894 -3.774322 ESP Fit Center 2875 is at 0.211980 1.264278 -3.774322 ESP Fit Center 2876 is at 0.033547 0.873565 -3.774322 ESP Fit Center 2877 is at -0.027581 0.448408 -3.774322 ESP Fit Center 2878 is at 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-4.023429 ESP Fit Center 2897 is at 0.322367 0.231730 -4.023429 ESP Fit Center 2898 is at 0.478914 -0.172365 -4.023429 ESP Fit Center 2899 is at 0.770866 -0.492620 -4.023429 ESP Fit Center 2900 is at 1.158792 -0.685784 -4.023429 ESP Fit Center 2901 is at 1.590301 -0.725769 -4.023429 ESP Fit Center 2902 is at 2.007115 -0.607175 -4.023429 ESP Fit Center 2903 is at 2.352942 -0.346019 -4.023429 ESP Fit Center 2904 is at 2.581076 0.022429 -4.023429 ESP Fit Center 2905 is at 2.290678 0.448408 -4.207680 ESP Fit Center 2906 is at 2.182269 0.852999 -4.207680 ESP Fit Center 2907 is at 1.886088 1.149180 -4.207680 ESP Fit Center 2908 is at 1.481497 1.257590 -4.207680 ESP Fit Center 2909 is at 1.076906 1.149180 -4.207680 ESP Fit Center 2910 is at 0.780726 0.852999 -4.207680 ESP Fit Center 2911 is at 0.672316 0.448408 -4.207680 ESP Fit Center 2912 is at 0.780726 0.043818 -4.207680 ESP Fit Center 2913 is at 1.076906 -0.252363 -4.207680 ESP Fit Center 2914 is at 1.481497 -0.360773 -4.207680 ESP Fit Center 2915 is at 1.886088 -0.252363 -4.207680 ESP Fit Center 2916 is at 2.182269 0.043818 -4.207680 ESP Fit Center 2917 is at 1.893096 0.448408 -4.320802 ESP Fit Center 2918 is at 1.687297 0.804864 -4.320802 ESP Fit Center 2919 is at 1.275698 0.804864 -4.320802 ESP Fit Center 2920 is at 1.069898 0.448408 -4.320802 ESP Fit Center 2921 is at 1.275698 0.091953 -4.320802 ESP Fit Center 2922 is at 1.687297 0.091953 -4.320802 ESP Fit Center 2923 is at 1.481497 0.448408 -4.358942 ESP Fit Center 2924 is at -0.800252 0.024602 1.802998 ESP Fit Center 2925 is at -0.591874 -0.336319 1.802998 ESP Fit Center 2926 is at -1.798469 0.639212 -2.399047 ESP Fit Center 2927 is at -1.302749 0.795947 -2.639001 ESP Fit Center 2928 is at -1.511127 0.435026 -2.639001 ESP Fit Center 2929 is at -1.583496 0.024602 -2.639001 ESP Fit Center 2930 is at -0.793920 0.735478 -2.815803 ESP Fit Center 2931 is at -1.094372 0.435026 -2.815803 ESP Fit Center 2932 is at -1.204344 0.024602 -2.815803 ESP Fit Center 2933 is at 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ESP Fit Center 2970 is at 3.017289 -2.984049 -0.950501 ESP Fit Center 2971 is at 0.025698 -3.709801 -1.363863 ESP Fit Center 2972 is at 0.411413 -3.885951 -1.363863 ESP Fit Center 2973 is at 0.823494 -3.985921 -1.363863 ESP Fit Center 2974 is at 1.247049 -4.006097 -1.363863 ESP Fit Center 2975 is at 1.666767 -3.945751 -1.363863 ESP Fit Center 2976 is at 2.067480 -3.807063 -1.363863 ESP Fit Center 2977 is at 2.434705 -3.595046 -1.363863 ESP Fit Center 2978 is at 2.755168 -3.317362 -1.363863 ESP Fit Center 2979 is at 3.017289 -2.984049 -1.363863 ESP Fit Center 2980 is at 3.211593 -2.607152 -1.363863 ESP Fit Center 2981 is at 3.295409 -1.778179 -1.770187 ESP Fit Center 2982 is at -0.056050 -3.569572 -1.770187 ESP Fit Center 2983 is at 0.316432 -3.768668 -1.770187 ESP Fit Center 2984 is at 0.720600 -3.891271 -1.770187 ESP Fit Center 2985 is at 1.140920 -3.932669 -1.770187 ESP Fit Center 2986 is at 1.561240 -3.891271 -1.770187 ESP Fit Center 2987 is at 1.965407 -3.768668 -1.770187 ESP Fit Center 2988 is at 2.337890 -3.569572 -1.770187 ESP Fit Center 2989 is at 2.664374 -3.301633 -1.770187 ESP Fit Center 2990 is at 2.932312 -2.975149 -1.770187 ESP Fit Center 2991 is at 3.131408 -2.602667 -1.770187 ESP Fit Center 2992 is at 3.254011 -2.198499 -1.770187 ESP Fit Center 2993 is at 3.146086 -1.778179 -2.155636 ESP Fit Center 2994 is at -0.200798 -3.268308 -2.155636 ESP Fit Center 2995 is at 0.138337 -3.514704 -2.155636 ESP Fit Center 2996 is at 0.521289 -3.685205 -2.155636 ESP Fit Center 2997 is at 0.931323 -3.772360 -2.155636 ESP Fit Center 2998 is at 1.350517 -3.772360 -2.155636 ESP Fit Center 2999 is at 1.760550 -3.685205 -2.155636 ESP Fit Center 3000 is at 2.143503 -3.514704 -2.155636 ESP Fit Center 3001 is at 2.482638 -3.268308 -2.155636 ESP Fit Center 3002 is at 2.763133 -2.956786 -2.155636 ESP Fit Center 3003 is at 2.972730 -2.593754 -2.155636 ESP Fit Center 3004 is at 3.102268 -2.195077 -2.155636 ESP Fit Center 3005 is at 2.928478 -1.778179 -2.507084 ESP Fit Center 3006 is at -0.352564 -2.760459 -2.507084 ESP Fit Center 3007 is at -0.085777 -3.078402 -2.507084 ESP Fit Center 3008 is at 0.247141 -3.326250 -2.507084 ESP Fit Center 3009 is at 0.628242 -3.490642 -2.507084 ESP Fit Center 3010 is at 1.036983 -3.562714 -2.507084 ESP Fit Center 3011 is at 1.451326 -3.538581 -2.507084 ESP Fit Center 3012 is at 1.848936 -3.419544 -2.507084 ESP Fit Center 3013 is at 2.208376 -3.212021 -2.507084 ESP Fit Center 3014 is at 2.510269 -2.927200 -2.507084 ESP Fit Center 3015 is at 2.738340 -2.580434 -2.507084 ESP Fit Center 3016 is at 2.880295 -2.190419 -2.507084 ESP Fit Center 3017 is at 2.649998 -1.778179 -2.812562 ESP Fit Center 3018 is at -0.307030 -2.203336 -2.812562 ESP Fit Center 3019 is at -0.128598 -2.594049 -2.812562 ESP Fit Center 3020 is at 0.152684 -2.918664 -2.812562 ESP Fit Center 3021 is at 0.514026 -3.150885 -2.812562 ESP Fit Center 3022 is at 0.926156 -3.271897 -2.812562 ESP Fit Center 3023 is at 1.355684 -3.271897 -2.812562 ESP Fit Center 3024 is at 1.767814 -3.150885 -2.812562 ESP Fit Center 3025 is at 2.129156 -2.918664 -2.812562 ESP Fit Center 3026 is at 2.410437 -2.594049 -2.812562 ESP Fit Center 3027 is at 2.588870 -2.203336 -2.812562 ESP Fit Center 3028 is at 2.320128 -1.778179 -3.061668 ESP Fit Center 3029 is at -0.018210 -1.994858 -3.061668 ESP Fit Center 3030 is at 0.138337 -2.398952 -3.061668 ESP Fit Center 3031 is at 0.430288 -2.719208 -3.061668 ESP Fit Center 3032 is at 0.818214 -2.912372 -3.061668 ESP Fit Center 3033 is at 1.249723 -2.952357 -3.061668 ESP Fit Center 3034 is at 1.666538 -2.833763 -3.061668 ESP Fit Center 3035 is at 2.012365 -2.572607 -3.061668 ESP Fit Center 3036 is at 2.240499 -2.204158 -3.061668 ESP Fit Center 3037 is at 1.950101 -1.778179 -3.245920 ESP Fit Center 3038 is at 0.331738 -1.778179 -3.245920 ESP Fit Center 3039 is at 0.440148 -2.182770 -3.245920 ESP Fit Center 3040 is at 0.736329 -2.478951 -3.245920 ESP Fit Center 3041 is at 1.140920 -2.587361 -3.245920 ESP Fit Center 3042 is at 1.545510 -2.478951 -3.245920 ESP Fit Center 3043 is at 1.841691 -2.182770 -3.245920 ESP Fit Center 3044 is at 1.552519 -1.778179 -3.359042 ESP Fit Center 3045 is at 0.729321 -1.778179 -3.359042 ESP Fit Center 3046 is at 0.935120 -2.134634 -3.359042 ESP Fit Center 3047 is at 1.346719 -2.134634 -3.359042 ESP Fit Center 3048 is at 1.140920 -1.778179 -3.397182 ESP Fit Center 3049 is at -0.681762 1.335823 2.103276 ESP Fit Center 3050 is at -0.265006 1.335823 2.066815 ESP Fit Center 3051 is at -0.473384 1.696744 2.066815 ESP Fit Center 3052 is at -0.473384 0.974902 2.066815 ESP Fit Center 3053 is at 0.029114 1.746247 1.958538 ESP Fit Center 3054 is at -0.271338 2.046698 1.958538 ESP Fit Center 3055 is at -0.681762 0.514974 1.958538 ESP Fit Center 3056 is at 0.237492 2.107168 1.781737 ESP Fit Center 3057 is at -0.081762 2.375053 1.781737 ESP Fit Center 3058 is at -0.473384 2.517592 1.781737 ESP Fit Center 3059 is at 0.371206 2.463276 1.541783 ESP Fit Center 3060 is at 0.027976 2.705555 1.541783 ESP Fit Center 3061 is at -0.367892 2.846246 1.541783 ESP Fit Center 3062 is at -0.362508 3.146398 1.245966 ESP Fit Center 3063 is at -1.002719 3.568130 -1.117572 ESP Fit Center 3064 is at -0.787034 3.411616 -1.496724 ESP Fit Center 3065 is at -1.202733 3.347933 -1.496724 ESP Fit Center 3066 is at -0.788661 3.171219 -1.839414 ESP Fit Center 3067 is at -1.209051 3.097093 -1.839414 ESP Fit Center 3068 is at -0.367892 2.846246 -2.135231 ESP Fit Center 3069 is at -0.787039 2.874917 -2.135231 ESP Fit Center 3070 is at -1.198377 2.789440 -2.135231 ESP Fit Center 3071 is at -1.571401 2.596154 -2.135231 ESP Fit Center 3072 is at -0.081762 2.375053 -2.375185 ESP Fit Center 3073 is at -0.473384 2.517592 -2.375185 ESP Fit Center 3074 is at -0.890140 2.517592 -2.375185 ESP Fit Center 3075 is at -1.281762 2.375053 -2.375185 ESP Fit Center 3076 is at -1.601015 2.107168 -2.375185 ESP Fit Center 3077 is at -1.809393 1.746247 -2.375185 ESP Fit Center 3078 is at -1.881762 1.335823 -2.375185 ESP Fit Center 3079 is at -1.809393 0.925399 -2.375185 ESP Fit Center 3080 is at -0.271338 2.046698 -2.551986 ESP Fit Center 3081 is at -0.681762 2.156671 -2.551986 ESP Fit Center 3082 is at -1.092186 2.046698 -2.551986 ESP Fit Center 3083 is at -1.392637 1.746247 -2.551986 ESP Fit Center 3084 is at -1.502610 1.335823 -2.551986 ESP Fit Center 3085 is at -1.392637 0.925399 -2.551986 ESP Fit Center 3086 is at -0.473384 1.696744 -2.660262 ESP Fit Center 3087 is at -0.890140 1.696744 -2.660262 ESP Fit Center 3088 is at -1.098517 1.335823 -2.660262 ESP Fit Center 3089 is at -0.681762 1.335823 -2.696724 ESP Fit Center 3090 is at -1.921371 1.636636 2.448278 ESP Fit Center 3091 is at -1.504616 1.636636 2.411817 ESP Fit Center 3092 is at -1.712993 1.997557 2.411817 ESP Fit Center 3093 is at -2.129749 1.997557 2.411817 ESP Fit Center 3094 is at -2.338127 1.636636 2.411817 ESP Fit Center 3095 is at -2.129749 1.275715 2.411817 ESP Fit Center 3096 is at -1.712993 1.275715 2.411817 ESP Fit Center 3097 is at -1.100523 1.636636 2.303541 ESP Fit Center 3098 is at -1.210496 2.047060 2.303541 ESP Fit Center 3099 is at -1.510947 2.347512 2.303541 ESP Fit Center 3100 is at -1.921371 2.457485 2.303541 ESP Fit Center 3101 is at -1.510947 0.925761 2.303541 ESP Fit Center 3102 is at -1.210496 1.226212 2.303541 ESP Fit Center 3103 is at -0.721371 1.636636 2.126739 ESP Fit Center 3104 is at -0.793740 2.047060 2.126739 ESP Fit Center 3105 is at -1.002118 2.407981 2.126739 ESP Fit Center 3106 is at -1.321371 2.675867 2.126739 ESP Fit Center 3107 is at -1.712993 2.818406 2.126739 ESP Fit Center 3108 is at -1.321371 0.597406 2.126739 ESP Fit Center 3109 is at -1.002118 0.865291 2.126739 ESP Fit Center 3110 is at -0.793740 1.226212 2.126739 ESP Fit Center 3111 is at -0.603267 2.438193 1.886785 ESP Fit Center 3112 is at -0.868403 2.764090 1.886785 ESP Fit Center 3113 is at -1.211633 3.006368 1.886785 ESP Fit Center 3114 is at -1.211633 0.266904 1.886785 ESP Fit Center 3115 is at -0.512993 2.818406 1.590969 ESP Fit Center 3116 is at -0.823491 3.111345 1.590969 ESP Fit Center 3117 is at -1.199511 3.585717 -1.151722 ESP Fit Center 3118 is at -1.602118 3.447212 -1.494412 ESP Fit Center 3119 is at -2.028271 3.472032 -1.494412 ESP Fit Center 3120 is at -2.448661 3.397906 -1.494412 ESP Fit Center 3121 is at -2.840625 3.228830 -1.494412 ESP Fit Center 3122 is at -1.607502 3.147060 -1.790228 ESP Fit Center 3123 is at -2.026648 3.175730 -1.790228 ESP Fit Center 3124 is at -2.437987 3.090253 -1.790228 ESP Fit Center 3125 is at -2.811010 2.896968 -1.790228 ESP Fit Center 3126 is at -3.118054 2.610209 -1.790228 ESP Fit Center 3127 is at -3.336344 2.251246 -1.790228 ESP Fit Center 3128 is at -1.712993 2.818406 -2.030183 ESP Fit Center 3129 is at -2.129749 2.818406 -2.030183 ESP Fit Center 3130 is at -2.521371 2.675867 -2.030183 ESP Fit Center 3131 is at -2.840625 2.407981 -2.030183 ESP Fit Center 3132 is at -3.049002 2.047060 -2.030183 ESP Fit Center 3133 is at -3.121371 1.636636 -2.030183 ESP Fit Center 3134 is at -1.921371 2.457485 -2.206984 ESP Fit Center 3135 is at -2.331795 2.347512 -2.206984 ESP Fit Center 3136 is at -2.632247 2.047060 -2.206984 ESP Fit Center 3137 is at -2.742220 1.636636 -2.206984 ESP Fit Center 3138 is at -2.632247 1.226212 -2.206984 ESP Fit Center 3139 is at -2.331795 0.925761 -2.206984 ESP Fit Center 3140 is at -2.129749 1.997557 -2.315260 ESP Fit Center 3141 is at -2.338127 1.636636 -2.315260 ESP Fit Center 3142 is at -2.129749 1.275715 -2.315260 ESP Fit Center 3143 is at -1.921371 1.636636 -2.351722 ESP Fit Center 3144 is at -2.842778 0.592106 2.520133 ESP Fit Center 3145 is at -2.426022 0.592106 2.483671 ESP Fit Center 3146 is at -2.634400 0.953026 2.483671 ESP Fit Center 3147 is at -3.051155 0.953026 2.483671 ESP Fit Center 3148 is at -3.051155 0.231185 2.483671 ESP Fit Center 3149 is at -2.634400 0.231185 2.483671 ESP Fit Center 3150 is at -2.021929 0.592106 2.375395 ESP Fit Center 3151 is at -2.131902 1.002530 2.375395 ESP Fit Center 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3533 is at -5.059765 1.057821 2.787577 ESP Fit Center 3534 is at -4.668143 0.915282 2.787577 ESP Fit Center 3535 is at -4.251387 0.915282 2.787577 ESP Fit Center 3536 is at -5.349404 0.836720 2.547623 ESP Fit Center 3537 is at -4.976381 0.643435 2.547623 ESP Fit Center 3538 is at -4.565042 0.557958 2.547623 ESP Fit Center 3539 is at -5.379019 3.689245 2.251807 ESP Fit Center 3540 is at -5.721425 3.434333 2.251807 ESP Fit Center 3541 is at -5.379019 0.504858 2.251807 ESP Fit Center 3542 is at -4.980737 4.109162 1.909116 ESP Fit Center 3543 is at -5.375107 3.963103 1.909116 ESP Fit Center 3544 is at -5.732004 3.740648 1.909116 ESP Fit Center 3545 is at -4.780722 4.329359 1.529965 ESP Fit Center 3546 is at -5.197389 4.228276 1.529965 ESP Fit Center 3547 is at -5.587396 4.050166 1.529965 ESP Fit Center 3548 is at -4.142500 4.439200 1.125872 ESP Fit Center 3549 is at -4.565805 4.458210 1.125872 ESP Fit Center 3550 is at -4.985702 4.401331 1.125872 ESP Fit Center 3551 is at -5.388695 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Fit Center 3570 is at -5.995815 1.086776 -0.833574 ESP Fit Center 3571 is at -5.988087 2.307115 -1.129390 ESP Fit Center 3572 is at -5.988087 1.886989 -1.129390 ESP Fit Center 3573 is at -5.874738 1.482442 -1.129390 ESP Fit Center 3574 is at -5.656447 1.123478 -1.129390 ESP Fit Center 3575 is at -5.587396 1.686628 -1.369345 ESP Fit Center 3576 is at -5.379019 1.325707 -1.369345 ESP Fit Center 3577 is at -5.170641 1.686628 -1.546146 ESP Fit Center 3578 is at -4.870189 1.386176 -1.546146 ESP Fit Center 3579 is at -4.950533 -3.010158 2.367580 ESP Fit Center 3580 is at -4.533777 -3.010158 2.367580 ESP Fit Center 3581 is at -4.142155 -2.867619 2.367580 ESP Fit Center 3582 is at -5.938837 -2.801962 2.127625 ESP Fit Center 3583 is at -4.847432 -3.367482 2.127625 ESP Fit Center 3584 is at -4.428286 -3.338812 2.127625 ESP Fit Center 3585 is at -4.032417 -3.198120 2.127625 ESP Fit Center 3586 is at -3.689187 -2.955842 2.127625 ESP Fit Center 3587 is at -3.424051 -2.629945 2.127625 ESP Fit Center 3588 is at -3.256672 -2.244601 2.127625 ESP Fit Center 3589 is at -6.568230 -2.041826 1.831809 ESP Fit Center 3590 is at -6.469786 -2.457195 1.831809 ESP Fit Center 3591 is at -4.422902 -3.638964 1.831809 ESP Fit Center 3592 is at -4.013960 -3.516535 1.831809 ESP Fit Center 3593 is at -3.644275 -3.303097 1.831809 ESP Fit Center 3594 is at -6.725296 -1.206174 1.489119 ESP Fit Center 3595 is at -6.809952 -1.618114 1.489119 ESP Fit Center 3596 is at -6.809952 -2.038663 1.489119 ESP Fit Center 3597 is at -6.725296 -2.450603 1.489119 ESP Fit Center 3598 is at -4.020295 -3.777470 1.489119 ESP Fit Center 3599 is at -3.642724 -3.592262 1.489119 ESP Fit Center 3600 is at -6.219038 -0.123975 1.109967 ESP Fit Center 3601 is at -6.514911 -0.434278 1.109967 ESP Fit Center 3602 is at -6.746712 -0.794967 1.109967 ESP Fit Center 3603 is at -6.906063 -1.193008 1.109967 ESP Fit Center 3604 is at -6.987205 -1.614012 1.109967 ESP Fit Center 3605 is at -6.987205 -2.042765 1.109967 ESP Fit Center 3606 is at 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3.197860 2.450591 ESP Fit Center 3643 is at -6.130932 3.055665 2.450591 ESP Fit Center 3644 is at -6.449414 2.788427 2.450591 ESP Fit Center 3645 is at -6.657288 2.428378 2.450591 ESP Fit Center 3646 is at -6.729482 2.018946 2.450591 ESP Fit Center 3647 is at -6.657288 1.609513 2.450591 ESP Fit Center 3648 is at -6.449414 1.249465 2.450591 ESP Fit Center 3649 is at -6.130932 0.982227 2.450591 ESP Fit Center 3650 is at -5.740256 0.840032 2.450591 ESP Fit Center 3651 is at -6.155968 3.384409 2.146575 ESP Fit Center 3652 is at -6.515404 3.153414 2.146575 ESP Fit Center 3653 is at -6.795201 2.830511 2.146575 ESP Fit Center 3654 is at -6.972692 2.441859 2.146575 ESP Fit Center 3655 is at -7.033498 2.018946 2.146575 ESP Fit Center 3656 is at -6.972692 1.596033 2.146575 ESP Fit Center 3657 is at -6.795201 1.207381 2.146575 ESP Fit Center 3658 is at -6.515404 0.884478 2.146575 ESP Fit Center 3659 is at -6.155968 0.653482 2.146575 ESP Fit Center 3660 is at -5.746013 0.533109 2.146575 ESP Fit Center 3661 is at -6.145798 3.636393 1.782531 ESP Fit Center 3662 is at -6.515054 3.442593 1.782531 ESP Fit Center 3663 is at -6.827200 3.166055 1.782531 ESP Fit Center 3664 is at -7.064097 2.822852 1.782531 ESP Fit Center 3665 is at -7.211975 2.432929 1.782531 ESP Fit Center 3666 is at -7.262242 2.018946 1.782531 ESP Fit Center 3667 is at -7.211975 1.604963 1.782531 ESP Fit Center 3668 is at -7.064097 1.215040 1.782531 ESP Fit Center 3669 is at -6.827200 0.871836 1.782531 ESP Fit Center 3670 is at -6.515054 0.595299 1.782531 ESP Fit Center 3671 is at -6.145798 0.401498 1.782531 ESP Fit Center 3672 is at -5.740893 0.301698 1.782531 ESP Fit Center 3673 is at -6.344552 3.705435 1.376715 ESP Fit Center 3674 is at -6.699468 3.482426 1.376715 ESP Fit Center 3675 is at -6.995862 3.186032 1.376715 ESP Fit Center 3676 is at -7.218870 2.831116 1.376715 ESP Fit Center 3677 is at -7.357312 2.435474 1.376715 ESP Fit Center 3678 is at -7.404243 2.018946 1.376715 ESP Fit Center 3679 is at -7.357312 1.602417 1.376715 ESP Fit Center 3680 is at -7.218870 1.206776 1.376715 ESP Fit Center 3681 is at -6.995862 0.851859 1.376715 ESP Fit Center 3682 is at -6.699468 0.555466 1.376715 ESP Fit Center 3683 is at -6.344552 0.332457 1.376715 ESP Fit Center 3684 is at -5.948910 0.194016 1.376715 ESP Fit Center 3685 is at -6.243047 3.802581 0.949474 ESP Fit Center 3686 is at -6.609861 3.608109 0.949474 ESP Fit Center 3687 is at -6.926293 3.339329 0.949474 ESP Fit Center 3688 is at -7.177547 3.008809 0.949474 ESP Fit Center 3689 is at -7.351876 2.632005 0.949474 ESP Fit Center 3690 is at -7.441126 2.226534 0.949474 ESP Fit Center 3691 is at -7.441126 1.811357 0.949474 ESP Fit Center 3692 is at -7.351876 1.405887 0.949474 ESP Fit Center 3693 is at -7.177547 1.029082 0.949474 ESP Fit Center 3694 is at -6.926293 0.698563 0.949474 ESP Fit Center 3695 is at -6.609861 0.429783 0.949474 ESP Fit Center 3696 is at -6.243047 0.235311 0.949474 ESP Fit Center 3697 is at -6.344552 3.705435 0.522234 ESP Fit Center 3698 is at -6.699468 3.482426 0.522234 ESP Fit Center 3699 is at -6.995862 3.186032 0.522234 ESP Fit Center 3700 is at -7.218870 2.831116 0.522234 ESP Fit Center 3701 is at -7.357312 2.435474 0.522234 ESP Fit Center 3702 is at -7.404243 2.018946 0.522234 ESP Fit Center 3703 is at -7.357312 1.602417 0.522234 ESP Fit Center 3704 is at -7.218870 1.206776 0.522234 ESP Fit Center 3705 is at -6.995862 0.851859 0.522234 ESP Fit Center 3706 is at -6.699468 0.555466 0.522234 ESP Fit Center 3707 is at -6.344552 0.332457 0.522234 ESP Fit Center 3708 is at -6.515054 3.442593 0.116418 ESP Fit Center 3709 is at -6.827200 3.166055 0.116418 ESP Fit Center 3710 is at -7.064097 2.822852 0.116418 ESP Fit Center 3711 is at -7.211975 2.432929 0.116418 ESP Fit Center 3712 is at -7.262242 2.018946 0.116418 ESP Fit Center 3713 is at -7.211975 1.604963 0.116418 ESP Fit Center 3714 is at -7.064097 1.215040 0.116418 ESP Fit Center 3715 is at -6.827200 0.871836 0.116418 ESP Fit Center 3716 is at -6.515054 0.595299 0.116418 ESP Fit Center 3717 is at -6.515404 3.153414 -0.247626 ESP Fit Center 3718 is at -6.795201 2.830511 -0.247626 ESP Fit Center 3719 is at -6.972692 2.441859 -0.247626 ESP Fit Center 3720 is at -7.033498 2.018946 -0.247626 ESP Fit Center 3721 is at -6.972692 1.596033 -0.247626 ESP Fit Center 3722 is at -6.795201 1.207381 -0.247626 ESP Fit Center 3723 is at -6.515404 0.884478 -0.247626 ESP Fit Center 3724 is at -6.155968 0.653482 -0.247626 ESP Fit Center 3725 is at -6.449414 2.788427 -0.551642 ESP Fit Center 3726 is at -6.657288 2.428378 -0.551642 ESP Fit Center 3727 is at -6.729482 2.018946 -0.551642 ESP Fit Center 3728 is at -6.657288 1.609513 -0.551642 ESP Fit Center 3729 is at -6.449414 1.249465 -0.551642 ESP Fit Center 3730 is at -6.365438 2.018946 -0.780386 ESP Fit Center 3731 is at -4.123742 4.477766 0.673453 ESP Fit Center 3732 is at -3.520084 4.447007 0.267637 ESP Fit Center 3733 is at -3.915725 4.585448 0.267637 ESP Fit Center 3734 is at -4.332254 4.632380 0.267637 ESP Fit Center 3735 is at -4.748782 4.585448 0.267637 ESP Fit Center 3736 is at -5.144424 4.447007 0.267637 ESP Fit Center 3737 is at -5.499340 4.223998 0.267637 ESP Fit Center 3738 is at -3.432910 4.456861 -0.159603 ESP Fit Center 3739 is at -3.818599 4.610534 -0.159603 ESP Fit Center 3740 is at -4.228307 4.677702 -0.159603 ESP Fit Center 3741 is at -4.642875 4.655225 -0.159603 ESP Fit Center 3742 is at -5.042919 4.544153 -0.159603 ESP Fit Center 3743 is at -5.409733 4.349681 -0.159603 ESP Fit Center 3744 is at -5.726165 4.080901 -0.159603 ESP Fit Center 3745 is at -5.977420 3.750381 -0.159603 ESP Fit Center 3746 is at -3.165167 4.223998 -0.586844 ESP Fit Center 3747 is at -3.520084 4.447007 -0.586844 ESP Fit Center 3748 is at -3.915725 4.585448 -0.586844 ESP Fit Center 3749 is at -4.332254 4.632380 -0.586844 ESP Fit Center 3750 is at -4.748782 4.585448 -0.586844 ESP Fit Center 3751 is at -5.144424 4.447007 -0.586844 ESP Fit Center 3752 is at -5.499340 4.223998 -0.586844 ESP Fit Center 3753 is at -5.795734 3.927605 -0.586844 ESP Fit Center 3754 is at -6.018743 3.572688 -0.586844 ESP Fit Center 3755 is at -3.037435 3.907628 -0.992660 ESP Fit Center 3756 is at -3.349581 4.184165 -0.992660 ESP Fit Center 3757 is at -3.718837 4.377965 -0.992660 ESP Fit Center 3758 is at -4.123742 4.477766 -0.992660 ESP Fit Center 3759 is at -4.540765 4.477766 -0.992660 ESP Fit Center 3760 is at -4.945671 4.377965 -0.992660 ESP Fit Center 3761 is at -5.314926 4.184165 -0.992660 ESP Fit Center 3762 is at -5.627073 3.907628 -0.992660 ESP Fit Center 3763 is at -5.863969 3.564424 -0.992660 ESP Fit Center 3764 is at -6.011847 3.174501 -0.992660 ESP Fit Center 3765 is at -6.062114 2.760518 -0.992660 ESP Fit Center 3766 is at -3.069434 3.572083 -1.356704 ESP Fit Center 3767 is at -3.349232 3.894986 -1.356704 ESP Fit Center 3768 is at -3.708668 4.125982 -1.356704 ESP Fit Center 3769 is at -4.118623 4.246355 -1.356704 ESP Fit Center 3770 is at -4.545885 4.246355 -1.356704 ESP Fit Center 3771 is at -4.955840 4.125982 -1.356704 ESP Fit Center 3772 is at -5.315276 3.894986 -1.356704 ESP Fit Center 3773 is at -5.595073 3.572083 -1.356704 ESP Fit Center 3774 is at -5.772565 3.183431 -1.356704 ESP Fit Center 3775 is at -5.833370 2.760518 -1.356704 ESP Fit Center 3776 is at -5.772565 2.337605 -1.356704 ESP Fit Center 3777 is at -3.207347 3.169951 -1.660720 ESP Fit Center 3778 is at -3.415222 3.529999 -1.660720 ESP Fit Center 3779 is at -3.733704 3.797237 -1.660720 ESP Fit Center 3780 is at -4.124380 3.939432 -1.660720 ESP Fit Center 3781 is at -4.540128 3.939432 -1.660720 ESP Fit Center 3782 is at -4.930804 3.797237 -1.660720 ESP Fit Center 3783 is at -5.249286 3.529999 -1.660720 ESP Fit Center 3784 is at -5.457160 3.169951 -1.660720 ESP Fit Center 3785 is at -5.529354 2.760518 -1.660720 ESP Fit Center 3786 is at -5.457160 2.351086 -1.660720 ESP Fit Center 3787 is at -5.249286 1.991037 -1.660720 ESP Fit Center 3788 is at -4.930804 1.723799 -1.660720 ESP Fit Center 3789 is at 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2.390517 -2.031465 ESP Fit Center 3808 is at -4.332254 2.760518 -2.079603 ESP Fit Center 3809 is at -3.925376 2.514420 3.497597 ESP Fit Center 3810 is at -3.498136 2.514420 3.449459 ESP Fit Center 3811 is at -3.711756 2.884421 3.449459 ESP Fit Center 3812 is at -4.138996 2.884421 3.449459 ESP Fit Center 3813 is at -4.352616 2.514420 3.449459 ESP Fit Center 3814 is at -4.138996 2.144419 3.449459 ESP Fit Center 3815 is at -3.711756 2.144419 3.449459 ESP Fit Center 3816 is at -3.092319 2.514420 3.307457 ESP Fit Center 3817 is at -3.203928 2.930948 3.307457 ESP Fit Center 3818 is at -3.508848 3.235868 3.307457 ESP Fit Center 3819 is at -3.925376 3.347476 3.307457 ESP Fit Center 3820 is at -4.341905 3.235868 3.307457 ESP Fit Center 3821 is at -4.646825 2.930948 3.307457 ESP Fit Center 3822 is at -4.758433 2.514420 3.307457 ESP Fit Center 3823 is at -4.646825 2.097891 3.307457 ESP Fit Center 3824 is at -4.341905 1.792971 3.307457 ESP Fit Center 3825 is at -3.925376 1.681363 3.307457 ESP Fit Center 3826 is at -3.508848 1.792971 3.307457 ESP Fit Center 3827 is at -3.203928 2.097891 3.307457 ESP Fit Center 3828 is at -2.728276 2.514420 3.078713 ESP Fit Center 3829 is at -2.800470 2.923852 3.078713 ESP Fit Center 3830 is at -3.008344 3.283901 3.078713 ESP Fit Center 3831 is at -3.326826 3.551139 3.078713 ESP Fit Center 3832 is at -3.717502 3.693333 3.078713 ESP Fit Center 3833 is at -4.133251 3.693333 3.078713 ESP Fit Center 3834 is at -4.523926 3.551139 3.078713 ESP Fit Center 3835 is at -4.842408 3.283901 3.078713 ESP Fit Center 3836 is at -5.050283 2.923852 3.078713 ESP Fit Center 3837 is at -5.122477 2.514420 3.078713 ESP Fit Center 3838 is at -5.050283 2.104987 3.078713 ESP Fit Center 3839 is at -4.842408 1.744938 3.078713 ESP Fit Center 3840 is at -4.523926 1.477700 3.078713 ESP Fit Center 3841 is at -4.133251 1.335506 3.078713 ESP Fit Center 3842 is at -3.717502 1.335506 3.078713 ESP Fit Center 3843 is at -3.326826 1.477700 3.078713 ESP Fit Center 3844 is at -3.008344 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4.339350 2.004837 ESP Fit Center 3882 is at -4.737547 4.200909 2.004837 ESP Fit Center 3883 is at -2.682395 3.977771 1.577597 ESP Fit Center 3884 is at -3.026032 4.210763 1.577597 ESP Fit Center 3885 is at -3.411722 4.364436 1.577597 ESP Fit Center 3886 is at -3.821430 4.431604 1.577597 ESP Fit Center 3887 is at -4.235998 4.409127 1.577597 ESP Fit Center 3888 is at -3.113206 4.200909 1.150357 ESP Fit Center 3889 is at -3.508848 4.339350 1.150357 ESP Fit Center 3890 is at -5.448013 -3.184452 2.148651 ESP Fit Center 3891 is at -5.955841 -3.230980 2.006650 ESP Fit Center 3892 is at -5.650921 -3.535900 2.006650 ESP Fit Center 3893 is at -5.234393 -3.647508 2.006650 ESP Fit Center 3894 is at -4.817864 -3.535900 2.006650 ESP Fit Center 3895 is at -6.431493 -2.814451 1.777906 ESP Fit Center 3896 is at -6.359299 -3.223884 1.777906 ESP Fit Center 3897 is at -6.151425 -3.583933 1.777906 ESP Fit Center 3898 is at -5.832943 -3.851171 1.777906 ESP Fit Center 3899 is at -5.442267 -3.993365 1.777906 ESP Fit Center 3900 is at -5.026518 -3.993365 1.777906 ESP Fit Center 3901 is at -4.635843 -3.851171 1.777906 ESP Fit Center 3902 is at -6.735509 -2.814451 1.473890 ESP Fit Center 3903 is at -6.674703 -3.237365 1.473890 ESP Fit Center 3904 is at -6.497212 -3.626016 1.473890 ESP Fit Center 3905 is at -6.217415 -3.948919 1.473890 ESP Fit Center 3906 is at -5.857979 -4.179915 1.473890 ESP Fit Center 3907 is at -5.448024 -4.300289 1.473890 ESP Fit Center 3908 is at -5.020762 -4.300289 1.473890 ESP Fit Center 3909 is at -4.610806 -4.179915 1.473890 ESP Fit Center 3910 is at -4.251371 -3.948919 1.473890 ESP Fit Center 3911 is at -6.964253 -2.814451 1.109846 ESP Fit Center 3912 is at -6.913986 -3.228434 1.109846 ESP Fit Center 3913 is at -6.766108 -3.618357 1.109846 ESP Fit Center 3914 is at -6.529212 -3.961561 1.109846 ESP Fit Center 3915 is at -6.217065 -4.238098 1.109846 ESP Fit Center 3916 is at -5.847810 -4.431899 1.109846 ESP Fit Center 3917 is at -5.442904 -4.531699 1.109846 ESP Fit Center 3918 is at -5.025881 -4.531699 1.109846 ESP Fit Center 3919 is at -4.620976 -4.431899 1.109846 ESP Fit Center 3920 is at -4.251720 -4.238098 1.109846 ESP Fit Center 3921 is at -3.939574 -3.961561 1.109846 ESP Fit Center 3922 is at -7.059323 -2.397923 0.704030 ESP Fit Center 3923 is at -7.106254 -2.814451 0.704030 ESP Fit Center 3924 is at -7.059323 -3.230980 0.704030 ESP Fit Center 3925 is at -6.920882 -3.626622 0.704030 ESP Fit Center 3926 is at -6.697873 -3.981538 0.704030 ESP Fit Center 3927 is at -6.401479 -4.277932 0.704030 ESP Fit Center 3928 is at -6.046563 -4.500940 0.704030 ESP Fit Center 3929 is at -5.650921 -4.639381 0.704030 ESP Fit Center 3930 is at -5.234393 -4.686313 0.704030 ESP Fit Center 3931 is at -4.817864 -4.639381 0.704030 ESP Fit Center 3932 is at -4.422222 -4.500940 0.704030 ESP Fit Center 3933 is at -4.067306 -4.277932 0.704030 ESP Fit Center 3934 is at -7.143138 -2.606863 0.276790 ESP Fit Center 3935 is at -7.143138 -3.022040 0.276790 ESP Fit Center 3936 is at -7.053887 -3.427510 0.276790 ESP Fit Center 3937 is at -6.879559 -3.804315 0.276790 ESP Fit Center 3938 is at -6.628304 -4.134834 0.276790 ESP Fit Center 3939 is at -6.311872 -4.403614 0.276790 ESP Fit Center 3940 is at -5.945058 -4.598087 0.276790 ESP Fit Center 3941 is at -5.545014 -4.709158 0.276790 ESP Fit Center 3942 is at -5.130446 -4.731635 0.276790 ESP Fit Center 3943 is at -4.720738 -4.664467 0.276790 ESP Fit Center 3944 is at -4.335049 -4.510794 0.276790 ESP Fit Center 3945 is at -3.991411 -4.277802 0.276790 ESP Fit Center 3946 is at -7.059323 -2.397923 -0.150451 ESP Fit Center 3947 is at -7.106254 -2.814451 -0.150451 ESP Fit Center 3948 is at -7.059323 -3.230980 -0.150451 ESP Fit Center 3949 is at -6.920882 -3.626622 -0.150451 ESP Fit Center 3950 is at -6.697873 -3.981538 -0.150451 ESP Fit Center 3951 is at -6.401479 -4.277932 -0.150451 ESP Fit Center 3952 is at -6.046563 -4.500940 -0.150451 ESP Fit Center 3953 is at -5.650921 -4.639381 -0.150451 ESP Fit Center 3954 is at -5.234393 -4.686313 -0.150451 ESP Fit Center 3955 is at -4.817864 -4.639381 -0.150451 ESP Fit Center 3956 is at -4.422222 -4.500940 -0.150451 ESP Fit Center 3957 is at -4.067306 -4.277932 -0.150451 ESP Fit Center 3958 is at -6.964253 -2.814451 -0.556267 ESP Fit Center 3959 is at -6.913986 -3.228434 -0.556267 ESP Fit Center 3960 is at -6.766108 -3.618357 -0.556267 ESP Fit Center 3961 is at -6.529212 -3.961561 -0.556267 ESP Fit Center 3962 is at -6.217065 -4.238098 -0.556267 ESP Fit Center 3963 is at -5.847810 -4.431899 -0.556267 ESP Fit Center 3964 is at -5.442904 -4.531699 -0.556267 ESP Fit Center 3965 is at -5.025881 -4.531699 -0.556267 ESP Fit Center 3966 is at -4.620976 -4.431899 -0.556267 ESP Fit Center 3967 is at -4.251720 -4.238098 -0.556267 ESP Fit Center 3968 is at -6.735509 -2.814451 -0.920311 ESP Fit Center 3969 is at -6.674703 -3.237365 -0.920311 ESP Fit Center 3970 is at -6.497212 -3.626016 -0.920311 ESP Fit Center 3971 is at -6.217415 -3.948919 -0.920311 ESP Fit Center 3972 is at -5.857979 -4.179915 -0.920311 ESP Fit Center 3973 is at -5.448024 -4.300289 -0.920311 ESP Fit Center 3974 is at -5.020762 -4.300289 -0.920311 ESP Fit Center 3975 is at -4.610806 -4.179915 -0.920311 ESP Fit Center 3976 is at -4.251371 -3.948919 -0.920311 ESP Fit Center 3977 is at -6.431493 -2.814451 -1.224327 ESP Fit Center 3978 is at -6.359299 -3.223884 -1.224327 ESP Fit Center 3979 is at -6.151425 -3.583933 -1.224327 ESP Fit Center 3980 is at -5.832943 -3.851171 -1.224327 ESP Fit Center 3981 is at -5.442267 -3.993365 -1.224327 ESP Fit Center 3982 is at -5.026518 -3.993365 -1.224327 ESP Fit Center 3983 is at -4.635843 -3.851171 -1.224327 ESP Fit Center 3984 is at -6.067450 -2.814451 -1.453071 ESP Fit Center 3985 is at -5.955841 -3.230980 -1.453071 ESP Fit Center 3986 is at -5.650921 -3.535900 -1.453071 ESP Fit Center 3987 is at -5.234393 -3.647508 -1.453071 ESP Fit Center 3988 is at -4.817864 -3.535900 -1.453071 ESP Fit Center 3989 is at -5.448013 -3.184452 -1.595072 ESP Fit Center 3990 is at -6.232903 0.269695 0.418019 ESP Fit Center 3991 is at -6.545050 -0.006843 0.418019 ESP Fit Center 3992 is at -6.781946 -0.350046 0.418019 ESP Fit Center 3993 is at -6.929824 -0.739970 0.418019 ESP Fit Center 3994 is at -6.417317 0.309528 0.012202 ESP Fit Center 3995 is at -6.713711 0.013134 0.012202 ESP Fit Center 3996 is at -6.936720 -0.341782 0.012202 ESP Fit Center 3997 is at -7.075161 -0.737424 0.012202 ESP Fit Center 3998 is at -7.122092 -1.153952 0.012202 ESP Fit Center 3999 is at -6.327710 0.435211 -0.415038 ESP Fit Center 4000 is at -6.644142 0.166431 -0.415038 ESP Fit Center 4001 is at -6.895396 -0.164089 -0.415038 ESP Fit Center 4002 is at -7.069725 -0.540893 -0.415038 ESP Fit Center 4003 is at -7.158975 -0.946364 -0.415038 ESP Fit Center 4004 is at -7.158975 -1.361541 -0.415038 ESP Fit Center 4005 is at -7.069725 -1.767011 -0.415038 ESP Fit Center 4006 is at -6.062401 0.532537 -0.842278 ESP Fit Center 4007 is at -6.417317 0.309528 -0.842278 ESP Fit Center 4008 is at -6.713711 0.013134 -0.842278 ESP Fit Center 4009 is at -6.936720 -0.341782 -0.842278 ESP Fit Center 4010 is at -7.075161 -0.737424 -0.842278 ESP Fit Center 4011 is at -7.122092 -1.153952 -0.842278 ESP Fit Center 4012 is at -7.075161 -1.570481 -0.842278 ESP Fit Center 4013 is at -6.936720 -1.966123 -0.842278 ESP Fit Center 4014 is at -5.458742 0.563295 -1.248095 ESP Fit Center 4015 is at -5.863647 0.463495 -1.248095 ESP Fit Center 4016 is at -6.232903 0.269695 -1.248095 ESP Fit Center 4017 is at -6.545050 -0.006843 -1.248095 ESP Fit Center 4018 is at -6.781946 -0.350046 -1.248095 ESP Fit Center 4019 is at -6.929824 -0.739970 -1.248095 ESP Fit Center 4020 is at -6.980091 -1.153952 -1.248095 ESP Fit Center 4021 is at -6.929824 -1.567935 -1.248095 ESP Fit Center 4022 is at -6.781946 -1.957858 -1.248095 ESP Fit Center 4023 is at -6.545050 -2.301062 -1.248095 ESP Fit Center 4024 is at -5.036599 0.331885 -1.612138 ESP Fit Center 4025 is at -5.463862 0.331885 -1.612138 ESP Fit Center 4026 is at -5.873817 0.211511 -1.612138 ESP Fit Center 4027 is at -6.233253 -0.019484 -1.612138 ESP Fit Center 4028 is at -6.513050 -0.342387 -1.612138 ESP Fit Center 4029 is at -6.690541 -0.731039 -1.612138 ESP Fit Center 4030 is at -6.751347 -1.153952 -1.612138 ESP Fit Center 4031 is at -6.690541 -1.576866 -1.612138 ESP Fit Center 4032 is at -6.513050 -1.965517 -1.612138 ESP Fit Center 4033 is at -6.233253 -2.288420 -1.612138 ESP Fit Center 4034 is at -4.333198 -0.384471 -1.916154 ESP Fit Center 4035 is at -4.651680 -0.117233 -1.916154 ESP Fit Center 4036 is at -5.042356 0.024962 -1.916154 ESP Fit Center 4037 is at -5.458105 0.024962 -1.916154 ESP Fit Center 4038 is at -5.848781 -0.117233 -1.916154 ESP Fit Center 4039 is at -6.167263 -0.384471 -1.916154 ESP Fit Center 4040 is at -6.375137 -0.744520 -1.916154 ESP Fit Center 4041 is at -6.447331 -1.153952 -1.916154 ESP Fit Center 4042 is at -6.375137 -1.563385 -1.916154 ESP Fit Center 4043 is at -6.167263 -1.923434 -1.916154 ESP Fit Center 4044 is at -5.848781 -2.190672 -1.916154 ESP Fit Center 4045 is at -4.417174 -1.153952 -2.144898 ESP Fit Center 4046 is at -4.528782 -0.737424 -2.144898 ESP Fit Center 4047 is at -4.833702 -0.432504 -2.144898 ESP Fit Center 4048 is at -5.250231 -0.320895 -2.144898 ESP Fit Center 4049 is at -5.666759 -0.432504 -2.144898 ESP Fit Center 4050 is at -5.971679 -0.737424 -2.144898 ESP Fit Center 4051 is at -6.083287 -1.153952 -2.144898 ESP Fit Center 4052 is at -5.971679 -1.570481 -2.144898 ESP Fit Center 4053 is at -5.666759 -1.875401 -2.144898 ESP Fit Center 4054 is at -5.250231 -1.987009 -2.144898 ESP Fit Center 4055 is at -4.833702 -1.875401 -2.144898 ESP Fit Center 4056 is at -4.528782 -1.570481 -2.144898 ESP Fit Center 4057 is at -4.822990 -1.153952 -2.286899 ESP Fit Center 4058 is at -5.036610 -0.783951 -2.286899 ESP Fit Center 4059 is at -5.463851 -0.783951 -2.286899 ESP Fit Center 4060 is at -5.677471 -1.153952 -2.286899 ESP Fit Center 4061 is at -5.463851 -1.523953 -2.286899 ESP Fit Center 4062 is at -5.036610 -1.523953 -2.286899 ESP Fit Center 4063 is at -5.250231 -1.153952 -2.335038 ESP Fit Center 4064 is at -4.795791 -1.403928 3.222827 ESP Fit Center 4065 is at -4.368551 -1.403928 3.174689 ESP Fit Center 4066 is at -4.582171 -1.033927 3.174689 ESP Fit Center 4067 is at -5.009411 -1.033927 3.174689 ESP Fit Center 4068 is at -5.223031 -1.403928 3.174689 ESP Fit Center 4069 is at -5.009411 -1.773929 3.174689 ESP Fit Center 4070 is at -4.582171 -1.773929 3.174689 ESP Fit Center 4071 is at -3.962734 -1.403928 3.032688 ESP Fit Center 4072 is at -4.074343 -0.987400 3.032688 ESP Fit Center 4073 is at -4.379263 -0.682480 3.032688 ESP Fit Center 4074 is at -4.795791 -0.570871 3.032688 ESP Fit Center 4075 is at -5.212320 -0.682480 3.032688 ESP Fit Center 4076 is at -5.517240 -0.987400 3.032688 ESP Fit Center 4077 is at -5.628848 -1.403928 3.032688 ESP Fit Center 4078 is at -5.517240 -1.820456 3.032688 ESP Fit Center 4079 is at -5.212320 -2.125376 3.032688 ESP Fit Center 4080 is at -4.795791 -2.236985 3.032688 ESP Fit Center 4081 is at -4.379263 -2.125376 3.032688 ESP Fit Center 4082 is at -4.074343 -1.820456 3.032688 ESP Fit Center 4083 is at -3.598691 -1.403928 2.803944 ESP Fit Center 4084 is at -3.670885 -0.994496 2.803944 ESP Fit Center 4085 is at -3.878759 -0.634447 2.803944 ESP Fit Center 4086 is at -4.197241 -0.367209 2.803944 ESP Fit Center 4087 is at -4.587917 -0.225014 2.803944 ESP Fit Center 4088 is at -5.003666 -0.225014 2.803944 ESP Fit Center 4089 is at -5.394341 -0.367209 2.803944 ESP Fit Center 4090 is at -5.712823 -0.634447 2.803944 ESP Fit Center 4091 is at -5.920698 -0.994496 2.803944 ESP Fit Center 4092 is at -5.992892 -1.403928 2.803944 ESP Fit Center 4093 is at -5.920698 -1.813360 2.803944 ESP Fit Center 4094 is at -5.712823 -2.173409 2.803944 ESP Fit Center 4095 is at -5.394341 -2.440647 2.803944 ESP Fit Center 4096 is at -5.003666 -2.582842 2.803944 ESP Fit Center 4097 is at -4.587917 -2.582842 2.803944 ESP Fit Center 4098 is at -4.197241 -2.440647 2.803944 ESP Fit Center 4099 is at -3.878759 -2.173409 2.803944 ESP Fit Center 4100 is at -3.670885 -1.813360 2.803944 ESP Fit Center 4101 is at -3.294675 -1.403928 2.499928 ESP Fit Center 4102 is at -3.355481 -0.981015 2.499928 ESP Fit Center 4103 is at -3.532972 -0.592363 2.499928 ESP Fit Center 4104 is at -3.812769 -0.269460 2.499928 ESP Fit Center 4105 is at -4.172205 -0.038464 2.499928 ESP Fit Center 4106 is at -4.582160 0.081909 2.499928 ESP Fit Center 4107 is at -5.009422 0.081909 2.499928 ESP Fit Center 4108 is at -5.419378 -0.038464 2.499928 ESP Fit Center 4109 is at -5.778813 -0.269460 2.499928 ESP Fit Center 4110 is at -6.058611 -0.592363 2.499928 ESP Fit Center 4111 is at -6.236102 -0.981015 2.499928 ESP Fit Center 4112 is at -6.296908 -1.403928 2.499928 ESP Fit Center 4113 is at -6.236102 -1.826841 2.499928 ESP Fit Center 4114 is at -6.058611 -2.215493 2.499928 ESP Fit Center 4115 is at -5.778813 -2.538396 2.499928 ESP Fit Center 4116 is at -5.419378 -2.769392 2.499928 ESP Fit Center 4117 is at -5.009422 -2.889765 2.499928 ESP Fit Center 4118 is at -4.582160 -2.889765 2.499928 ESP Fit Center 4119 is at -4.172205 -2.769392 2.499928 ESP Fit Center 4120 is at -3.812769 -2.538396 2.499928 ESP Fit Center 4121 is at -3.532972 -2.215493 2.499928 ESP Fit Center 4122 is at -3.355481 -1.826841 2.499928 ESP Fit Center 4123 is at -3.065931 -1.403928 2.135884 ESP Fit Center 4124 is at -5.409208 0.213519 2.135884 ESP Fit Center 4125 is at -5.778464 0.019719 2.135884 ESP Fit Center 4126 is at -6.090610 -0.256818 2.135884 ESP Fit Center 4127 is at -6.327506 -0.600022 2.135884 ESP Fit Center 4128 is at -6.475385 -0.989945 2.135884 ESP Fit Center 4129 is at -6.525651 -1.403928 2.135884 ESP Fit Center 4130 is at -6.475385 -1.817911 2.135884 ESP Fit Center 4131 is at -6.327506 -2.207834 2.135884 ESP Fit Center 4132 is at -3.116198 -1.817911 2.135884 ESP Fit Center 4133 is at -5.962878 0.059552 1.730068 ESP Fit Center 4134 is at -6.259272 -0.236841 1.730068 ESP Fit Center 4135 is at -6.482280 -0.591758 1.730068 ESP Fit Center 4136 is at -6.620721 -0.987400 1.730068 ESP Fit Center 4137 is at -6.667653 -1.403928 1.730068 ESP Fit Center 4138 is at -6.189703 -0.083545 1.302827 ESP Fit Center 4139 is at -6.440957 -0.414065 1.302827 ESP Fit Center 4140 is at 5.652054 1.750787 0.721386 ESP Fit Center 4141 is at 5.612580 2.164177 0.721386 ESP Fit Center 4142 is at 3.156843 3.912899 0.721386 ESP Fit Center 4143 is at 5.612580 1.337397 0.721386 ESP Fit Center 4144 is at 5.873426 1.750787 0.360140 ESP Fit Center 4145 is at 5.836878 2.168535 0.360140 ESP Fit Center 4146 is at 3.049960 4.119956 0.360140 ESP Fit Center 4147 is at 2.644904 4.011422 0.360140 ESP Fit Center 4148 is at 2.264849 3.834199 0.360140 ESP Fit Center 4149 is at 5.836878 1.333038 0.360140 ESP Fit Center 4150 is at 6.035561 1.750787 -0.031288 ESP Fit Center 4151 is at 2.837338 4.240064 -0.031288 ESP Fit Center 4152 is at 2.436214 4.102358 -0.031288 ESP Fit Center 4153 is at 2.063226 3.900507 -0.031288 ESP Fit Center 4154 is at 1.728549 3.640017 -0.031288 ESP Fit Center 4155 is at 5.896427 0.917007 -0.031288 ESP Fit Center 4156 is at 6.000539 1.328132 -0.031288 ESP Fit Center 4157 is at 6.134467 1.750787 -0.443261 ESP Fit Center 4158 is at 2.643634 4.287025 -0.443261 ESP Fit Center 4159 is at 2.257025 4.126886 -0.443261 ESP Fit Center 4160 is at 1.900227 3.908240 -0.443261 ESP Fit Center 4161 is at 1.582025 3.636470 -0.443261 ESP Fit Center 4162 is at 6.101634 1.333614 -0.443261 ESP Fit Center 4163 is at 6.167708 1.750787 -0.865634 ESP Fit Center 4164 is at 2.752258 4.354271 -0.865634 ESP Fit Center 4165 is at 2.363223 4.214547 -0.865634 ESP Fit Center 4166 is at 2.000076 4.017074 -0.865634 ESP Fit Center 4167 is at 6.136065 1.338634 -0.865634 ESP Fit Center 4168 is at 6.134467 1.750787 -1.288007 ESP Fit Center 4169 is at 2.643634 4.287025 -1.288007 ESP Fit Center 4170 is at 2.257025 4.126886 -1.288007 ESP Fit Center 4171 is at 6.035561 1.750787 -1.699980 ESP Fit Center 4172 is at 2.837338 4.240064 -1.699980 ESP Fit Center 4173 is at 2.436214 4.102358 -1.699980 ESP Fit Center 4174 is at 5.873426 1.750787 -2.091409 ESP Fit Center 4175 is at 5.836878 2.168535 -2.091409 ESP Fit Center 4176 is at 3.049960 4.119956 -2.091409 ESP Fit Center 4177 is at 5.612580 2.164177 -2.452654 ESP Fit Center 4178 is at 3.156843 3.912899 -2.452654 ESP Fit Center 4179 is at 5.329029 2.175621 -2.774823 ESP Fit Center 4180 is at 5.187827 2.579153 -2.774823 ESP Fit Center 4181 is at 3.892543 3.612108 -2.774823 ESP Fit Center 4182 is at 3.467708 3.659975 -2.774823 ESP Fit Center 4183 is at 3.042874 3.612108 -2.774823 ESP Fit Center 4184 is at 5.054728 1.750787 -3.049980 ESP Fit Center 4185 is at 5.000652 2.161538 -3.049980 ESP Fit Center 4186 is at 4.842108 2.544297 -3.049980 ESP Fit Center 4187 is at 4.589901 2.872980 -3.049980 ESP Fit Center 4188 is at 4.261218 3.125187 -3.049980 ESP Fit Center 4189 is at 3.878459 3.283731 -3.049980 ESP Fit Center 4190 is at 3.467708 3.337807 -3.049980 ESP Fit Center 4191 is at 4.693483 1.750787 -3.271352 ESP Fit Center 4192 is at 4.619559 2.170026 -3.271352 ESP Fit Center 4193 is at 4.406706 2.538699 -3.271352 ESP Fit Center 4194 is at 4.080595 2.812339 -3.271352 ESP Fit Center 4195 is at 3.680562 2.957939 -3.271352 ESP Fit Center 4196 is at 3.254855 2.957939 -3.271352 ESP Fit Center 4197 is at 4.302054 1.750787 -3.433487 ESP Fit Center 4198 is at 4.190273 2.167960 -3.433487 ESP Fit Center 4199 is at 3.884881 2.473352 -3.433487 ESP Fit Center 4200 is at 3.467708 2.585133 -3.433487 ESP Fit Center 4201 is at 4.190273 1.333614 -3.433487 ESP Fit Center 4202 is at 3.890081 1.750787 -3.532393 ESP Fit Center 4203 is at 3.678895 2.116573 -3.532393 ESP Fit Center 4204 is at 3.256522 2.116573 -3.532393 ESP Fit Center 4205 is at 3.678895 1.385001 -3.532393 ESP Fit Center 4206 is at 3.467708 1.750787 -3.565634 ESP Fit Center 4207 is at 5.294940 2.641283 0.957233 ESP Fit Center 4208 is at 5.222569 3.051718 0.957233 ESP Fit Center 4209 is at 5.014186 3.412648 0.957233 ESP Fit Center 4210 is at 4.694924 3.680541 0.957233 ESP Fit Center 4211 is at 4.303292 3.823083 0.957233 ESP Fit Center 4212 is at 3.886525 3.823083 0.957233 ESP Fit Center 4213 is at 5.622259 2.641283 0.688609 ESP Fit Center 4214 is at 5.565621 3.053357 0.688609 ESP Fit Center 4215 is at 5.399906 3.434870 0.688609 ESP Fit Center 4216 is at 5.137406 3.757526 0.688609 ESP Fit Center 4217 is at 4.797589 3.997395 0.688609 ESP Fit Center 4218 is at 4.405657 4.136687 0.688609 ESP Fit Center 4219 is at 3.990678 4.165073 0.688609 ESP Fit Center 4220 is at 3.583430 4.080446 0.688609 ESP Fit Center 4221 is at 5.890883 2.641283 0.361290 ESP Fit Center 4222 is at 5.842472 3.055463 0.361290 ESP Fit Center 4223 is at 5.699850 3.447315 0.361290 ESP Fit Center 4224 is at 5.470704 3.795713 0.361290 ESP Fit Center 4225 is at 5.167390 4.081875 0.361290 ESP Fit Center 4226 is at 4.806257 4.290375 0.361290 ESP Fit Center 4227 is at 4.406776 4.409972 0.361290 ESP Fit Center 4228 is at 3.990482 4.434219 0.361290 ESP Fit Center 4229 is at 3.579817 4.361807 0.361290 ESP Fit Center 4230 is at 3.196921 4.196642 0.361290 ESP Fit Center 4231 is at 5.842472 2.227103 0.361290 ESP Fit Center 4232 is at 6.090488 2.641283 -0.012145 ESP Fit Center 4233 is at 6.046880 3.056187 -0.012145 ESP Fit Center 4234 is at 5.917961 3.452958 -0.012145 ESP Fit Center 4235 is at 5.709366 3.814255 -0.012145 ESP Fit Center 4236 is at 5.430212 4.124288 -0.012145 ESP Fit Center 4237 is at 5.092698 4.369506 -0.012145 ESP Fit Center 4238 is at 4.711576 4.539192 -0.012145 ESP Fit Center 4239 is at 4.303503 4.625931 -0.012145 ESP Fit Center 4240 is at 3.886313 4.625931 -0.012145 ESP Fit Center 4241 is at 3.478240 4.539192 -0.012145 ESP Fit Center 4242 is at 3.097118 4.369506 -0.012145 ESP Fit Center 4243 is at 6.046880 2.226378 -0.012145 ESP Fit Center 4244 is at 6.213404 2.641283 -0.417347 ESP Fit Center 4245 is at 6.172698 3.054581 -0.417347 ESP Fit Center 4246 is at 6.052143 3.451996 -0.417347 ESP Fit Center 4247 is at 5.856373 3.818256 -0.417347 ESP Fit Center 4248 is at 5.592911 4.139286 -0.417347 ESP Fit Center 4249 is at 5.271882 4.402748 -0.417347 ESP Fit Center 4250 is at 4.905622 4.598518 -0.417347 ESP Fit Center 4251 is at 4.508206 4.719073 -0.417347 ESP Fit Center 4252 is at 4.094908 4.759779 -0.417347 ESP Fit Center 4253 is at 3.681610 4.719073 -0.417347 ESP Fit Center 4254 is at 3.284195 4.598518 -0.417347 ESP Fit Center 4255 is at 2.917935 4.402748 -0.417347 ESP Fit Center 4256 is at 6.172698 2.227985 -0.417347 ESP Fit Center 4257 is at 6.254908 2.641283 -0.838742 ESP Fit Center 4258 is at 6.215874 3.050065 -0.838742 ESP Fit Center 4259 is at 6.100183 3.444074 -0.838742 ESP Fit Center 4260 is at 5.912016 3.809067 -0.838742 ESP Fit Center 4261 is at 5.658174 4.131853 -0.838742 ESP Fit Center 4262 is at 5.347831 4.400767 -0.838742 ESP Fit Center 4263 is at 4.992205 4.606088 -0.838742 ESP Fit Center 4264 is at 4.604148 4.740396 -0.838742 ESP Fit Center 4265 is at 4.197685 4.798836 -0.838742 ESP Fit Center 4266 is at 3.787508 4.779297 -0.838742 ESP Fit Center 4267 is at 3.388441 4.682485 -0.838742 ESP Fit Center 4268 is at 3.014908 4.511898 -0.838742 ESP Fit Center 4269 is at 6.215874 2.232500 -0.838742 ESP Fit Center 4270 is at 6.213404 2.641283 -1.260137 ESP Fit Center 4271 is at 6.172698 3.054581 -1.260137 ESP Fit Center 4272 is at 6.052143 3.451996 -1.260137 ESP Fit Center 4273 is at 5.856373 3.818256 -1.260137 ESP Fit Center 4274 is at 5.592911 4.139286 -1.260137 ESP Fit Center 4275 is at 5.271882 4.402748 -1.260137 ESP Fit Center 4276 is at 4.905622 4.598518 -1.260137 ESP Fit Center 4277 is at 4.508206 4.719073 -1.260137 ESP Fit Center 4278 is at 4.094908 4.759779 -1.260137 ESP Fit Center 4279 is at 3.681610 4.719073 -1.260137 ESP Fit Center 4280 is at 3.284195 4.598518 -1.260137 ESP Fit Center 4281 is at 2.917935 4.402748 -1.260137 ESP Fit Center 4282 is at 6.172698 2.227985 -1.260137 ESP Fit Center 4283 is at 6.090488 2.641283 -1.665338 ESP Fit Center 4284 is at 6.046880 3.056187 -1.665338 ESP Fit Center 4285 is at 5.917961 3.452958 -1.665338 ESP Fit Center 4286 is at 5.709366 3.814255 -1.665338 ESP Fit Center 4287 is at 5.430212 4.124288 -1.665338 ESP Fit Center 4288 is at 5.092698 4.369506 -1.665338 ESP Fit Center 4289 is at 4.711576 4.539192 -1.665338 ESP Fit Center 4290 is at 4.303503 4.625931 -1.665338 ESP Fit Center 4291 is at 3.886313 4.625931 -1.665338 ESP Fit Center 4292 is at 3.478240 4.539192 -1.665338 ESP Fit Center 4293 is at 3.097118 4.369506 -1.665338 ESP Fit Center 4294 is at 6.046880 2.226378 -1.665338 ESP Fit Center 4295 is at 5.890883 2.641283 -2.038773 ESP Fit Center 4296 is at 5.842472 3.055463 -2.038773 ESP Fit Center 4297 is at 5.699850 3.447315 -2.038773 ESP Fit Center 4298 is at 5.470704 3.795713 -2.038773 ESP Fit Center 4299 is at 5.167390 4.081875 -2.038773 ESP Fit Center 4300 is at 4.806257 4.290375 -2.038773 ESP Fit Center 4301 is at 4.406776 4.409972 -2.038773 ESP Fit Center 4302 is at 3.990482 4.434219 -2.038773 ESP Fit Center 4303 is at 3.579817 4.361807 -2.038773 ESP Fit Center 4304 is at 3.196921 4.196642 -2.038773 ESP Fit Center 4305 is at 5.622259 2.641283 -2.366092 ESP Fit Center 4306 is at 5.565621 3.053357 -2.366092 ESP Fit Center 4307 is at 5.399906 3.434870 -2.366092 ESP Fit Center 4308 is at 5.137406 3.757526 -2.366092 ESP Fit Center 4309 is at 4.797589 3.997395 -2.366092 ESP Fit Center 4310 is at 4.405657 4.136687 -2.366092 ESP Fit Center 4311 is at 3.990678 4.165073 -2.366092 ESP Fit Center 4312 is at 3.583430 4.080446 -2.366092 ESP Fit Center 4313 is at 5.222569 3.051718 -2.634716 ESP Fit Center 4314 is at 5.014186 3.412648 -2.634716 ESP Fit Center 4315 is at 4.694924 3.680541 -2.634716 ESP Fit Center 4316 is at 4.303292 3.823083 -2.634716 ESP Fit Center 4317 is at 3.886525 3.823083 -2.634716 ESP Fit Center 4318 is at 4.810762 3.054581 -2.834321 ESP Fit Center 4319 is at 4.508206 3.357136 -2.834321 ESP Fit Center 4320 is at 1.581799 3.678861 -0.639312 ESP Fit Center 4321 is at 1.768876 3.907873 -1.044513 ESP Fit Center 4322 is at 1.402615 3.712103 -1.044513 ESP Fit Center 4323 is at 1.873122 3.991840 -1.465908 ESP Fit Center 4324 is at 1.499589 3.821253 -1.465908 ESP Fit Center 4325 is at 1.165090 3.583057 -1.465908 ESP Fit Center 4326 is at 2.166291 4.028428 -1.887303 ESP Fit Center 4327 is at 1.768876 3.907873 -1.887303 ESP Fit Center 4328 is at 1.402615 3.712103 -1.887303 ESP Fit Center 4329 is at 1.081586 3.448641 -1.887303 ESP Fit Center 4330 is at 2.370994 3.935286 -2.292505 ESP Fit Center 4331 is at 1.962921 3.848547 -2.292505 ESP Fit Center 4332 is at 1.581799 3.678861 -2.292505 ESP Fit Center 4333 is at 1.244285 3.433643 -2.292505 ESP Fit Center 4334 is at 0.965131 3.123610 -2.292505 ESP Fit Center 4335 is at 2.891457 3.719327 -2.665940 ESP Fit Center 4336 is at 2.475162 3.743574 -2.665940 ESP Fit Center 4337 is at 2.064498 3.671162 -2.665940 ESP Fit Center 4338 is at 1.681602 3.505997 -2.665940 ESP Fit Center 4339 is at 1.347117 3.256982 -2.665940 ESP Fit Center 4340 is at 1.079074 2.937542 -2.665940 ESP Fit Center 4341 is at 2.890338 3.446042 -2.993259 ESP Fit Center 4342 is at 2.475359 3.474428 -2.993259 ESP Fit Center 4343 is at 2.068110 3.389801 -2.993259 ESP Fit Center 4344 is at 1.698796 3.198437 -2.993259 ESP Fit Center 4345 is at 1.394806 2.914530 -2.993259 ESP Fit Center 4346 is at 3.179605 2.989896 -3.261883 ESP Fit Center 4347 is at 2.787972 3.132438 -3.261883 ESP Fit Center 4348 is at 2.371206 3.132438 -3.261883 ESP Fit Center 4349 is at 1.979573 2.989896 -3.261883 ESP Fit Center 4350 is at 1.660311 2.722003 -3.261883 ESP Fit Center 4351 is at 2.992887 2.666491 -3.461488 ESP Fit Center 4352 is at 2.579589 2.777234 -3.461488 ESP Fit Center 4353 is at 2.166291 2.666491 -3.461488 ESP Fit Center 4354 is at 3.000984 1.950638 -3.584404 ESP Fit Center 4355 is at 2.790286 2.315577 -3.584404 ESP Fit Center 4356 is at 2.368891 2.315577 -3.584404 ESP Fit Center 4357 is at 5.774540 0.512702 -0.108509 ESP Fit Center 4358 is at 6.022557 0.926883 -0.481945 ESP Fit Center 4359 is at 5.850030 0.115207 -0.481945 ESP Fit Center 4360 is at 5.978948 0.511978 -0.481945 ESP Fit Center 4361 is at 6.145473 0.926883 -0.887146 ESP Fit Center 4362 is at 5.524980 -0.571120 -0.887146 ESP Fit Center 4363 is at 5.788442 -0.250091 -0.887146 ESP Fit Center 4364 is at 5.984212 0.116169 -0.887146 ESP Fit Center 4365 is at 6.104767 0.513584 -0.887146 ESP Fit Center 4366 is at 6.186977 0.926883 -1.308541 ESP Fit Center 4367 is at 6.147943 1.335665 -1.308541 ESP Fit Center 4368 is at 5.279900 -0.832601 -1.308541 ESP Fit Center 4369 is at 5.590242 -0.563688 -1.308541 ESP Fit Center 4370 is at 5.844084 -0.240902 -1.308541 ESP Fit Center 4371 is at 6.032252 0.124092 -1.308541 ESP Fit Center 4372 is at 6.147943 0.518100 -1.308541 ESP Fit Center 4373 is at 6.145473 0.926883 -1.729936 ESP Fit Center 4374 is at 6.104767 1.340181 -1.729936 ESP Fit Center 4375 is at 4.837690 -1.030353 -1.729936 ESP Fit Center 4376 is at 5.203950 -0.834583 -1.729936 ESP Fit Center 4377 is at 5.524980 -0.571120 -1.729936 ESP Fit Center 4378 is at 5.788442 -0.250091 -1.729936 ESP Fit Center 4379 is at 5.984212 0.116169 -1.729936 ESP Fit Center 4380 is at 6.104767 0.513584 -1.729936 ESP Fit Center 4381 is at 6.022557 0.926883 -2.135137 ESP Fit Center 4382 is at 5.978948 1.341787 -2.135137 ESP Fit Center 4383 is at 3.818382 -1.057765 -2.135137 ESP Fit Center 4384 is at 4.235572 -1.057765 -2.135137 ESP Fit Center 4385 is at 4.643645 -0.971027 -2.135137 ESP Fit Center 4386 is at 5.024767 -0.801340 -2.135137 ESP Fit Center 4387 is at 5.362280 -0.556122 -2.135137 ESP Fit Center 4388 is at 5.641435 -0.246090 -2.135137 ESP Fit Center 4389 is at 5.850030 0.115207 -2.135137 ESP Fit Center 4390 is at 5.978948 0.511978 -2.135137 ESP Fit Center 4391 is at 5.822951 0.926883 -2.508573 ESP Fit Center 4392 is at 5.774540 1.341063 -2.508573 ESP Fit Center 4393 is at 5.631918 1.732914 -2.508573 ESP Fit Center 4394 is at 3.922550 -0.866053 -2.508573 ESP Fit Center 4395 is at 4.338845 -0.841807 -2.508573 ESP Fit Center 4396 is at 4.738326 -0.722210 -2.508573 ESP Fit Center 4397 is at 5.099458 -0.513710 -2.508573 ESP Fit Center 4398 is at 5.402773 -0.227548 -2.508573 ESP Fit Center 4399 is at 5.631918 0.120851 -2.508573 ESP Fit Center 4400 is at 5.774540 0.512702 -2.508573 ESP Fit Center 4401 is at 5.554327 0.926883 -2.835892 ESP Fit Center 4402 is at 5.497689 1.338957 -2.835892 ESP Fit Center 4403 is at 5.331975 1.720469 -2.835892 ESP Fit Center 4404 is at 3.922747 -0.596907 -2.835892 ESP Fit Center 4405 is at 4.337726 -0.568522 -2.835892 ESP Fit Center 4406 is at 4.729657 -0.429229 -2.835892 ESP Fit Center 4407 is at 5.069475 -0.189360 -2.835892 ESP Fit Center 4408 is at 5.331975 0.133296 -2.835892 ESP Fit Center 4409 is at 5.497689 0.514808 -2.835892 ESP Fit Center 4410 is at 5.227009 0.926883 -3.104515 ESP Fit Center 4411 is at 5.154638 1.337318 -3.104515 ESP Fit Center 4412 is at 3.818594 -0.254918 -3.104515 ESP Fit Center 4413 is at 4.235360 -0.254918 -3.104515 ESP Fit Center 4414 is at 4.626993 -0.112375 -3.104515 ESP Fit Center 4415 is at 4.946254 0.155517 -3.104515 ESP Fit Center 4416 is at 5.154638 0.516448 -3.104515 ESP Fit Center 4417 is at 4.853573 0.926883 -3.304121 ESP Fit Center 4418 is at 4.742830 1.340181 -3.304121 ESP Fit Center 4419 is at 4.026977 0.100286 -3.304121 ESP Fit Center 4420 is at 4.440275 0.211029 -3.304121 ESP Fit Center 4421 is at 4.742830 0.513584 -3.304121 ESP Fit Center 4422 is at 4.448372 0.926883 -3.427037 ESP Fit Center 4423 is at 4.237674 1.291821 -3.427037 ESP Fit Center 4424 is at 3.816279 0.561944 -3.427037 ESP Fit Center 4425 is at 4.237674 0.561944 -3.427037 ESP Fit Center 4426 is at 4.026977 0.926883 -3.468541 ESP Fit Center 4427 is at 3.495761 2.119305 2.813622 ESP Fit Center 4428 is at 4.213695 1.820901 2.646436 ESP Fit Center 4429 is at 4.005424 2.181638 2.646436 ESP Fit Center 4430 is at 3.686333 2.449386 2.646436 ESP Fit Center 4431 is at 3.294911 2.591852 2.646436 ESP Fit Center 4432 is at 2.878368 2.591852 2.646436 ESP Fit Center 4433 is at 4.577058 1.828282 2.418796 ESP Fit Center 4434 is at 4.409124 2.214907 2.418796 ESP Fit Center 4435 is at 4.143106 2.541886 2.418796 ESP Fit Center 4436 is at 3.798736 2.784969 2.418796 ESP Fit Center 4437 is at 3.401552 2.926128 2.418796 ESP Fit Center 4438 is at 2.981013 2.954894 2.418796 ESP Fit Center 4439 is at 2.568308 2.869133 2.418796 ESP Fit Center 4440 is at 4.890688 1.838254 2.136912 ESP Fit Center 4441 is at 4.743456 2.242771 2.136912 ESP Fit Center 4442 is at 4.506905 2.602430 2.136912 ESP Fit Center 4443 is at 4.193786 2.897842 2.136912 ESP Fit Center 4444 is at 3.820981 3.113081 2.136912 ESP Fit Center 4445 is at 3.408588 3.236544 2.136912 ESP Fit Center 4446 is at 2.978838 3.261574 2.136912 ESP Fit Center 4447 is at 2.554899 3.186822 2.136912 ESP Fit Center 4448 is at 2.159628 3.016318 2.136912 ESP Fit Center 4449 is at 5.153114 1.835358 1.808471 ESP Fit Center 4450 is at 5.025328 2.242643 1.808471 ESP Fit Center 4451 is at 4.818171 2.615868 1.808471 ESP Fit Center 4452 is at 4.540125 2.939752 1.808471 ESP Fit Center 4453 is at 4.202574 3.201037 1.808471 ESP Fit Center 4454 is at 3.819335 3.389024 1.808471 ESP Fit Center 4455 is at 3.406101 3.496018 1.808471 ESP Fit Center 4456 is at 2.979787 3.517638 1.808471 ESP Fit Center 4457 is at 2.557848 3.452999 1.808471 ESP Fit Center 4458 is at 2.157558 3.304748 1.808471 ESP Fit Center 4459 is at 5.355095 1.834734 1.442435 ESP Fit Center 4460 is at 5.238551 2.244341 1.442435 ESP Fit Center 4461 is at 5.048727 2.625559 1.442435 ESP Fit Center 4462 is at 4.792087 2.965407 1.442435 ESP Fit Center 4463 is at 4.477369 3.252310 1.442435 ESP Fit Center 4464 is at 4.115292 3.476498 1.442435 ESP Fit Center 4465 is at 3.718185 3.630338 1.442435 ESP Fit Center 4466 is at 3.299572 3.708591 1.442435 ESP Fit Center 4467 is at 2.873707 3.708591 1.442435 ESP Fit Center 4468 is at 2.455094 3.630338 1.442435 ESP Fit Center 4469 is at 2.057987 3.476498 1.442435 ESP Fit Center 4470 is at 1.695910 3.252310 1.442435 ESP Fit Center 4471 is at 5.492415 1.834889 1.048786 ESP Fit Center 4472 is at 5.382204 2.246203 1.048786 ESP Fit Center 4473 is at 5.202243 2.632131 1.048786 ESP Fit Center 4474 is at 3.922157 3.706251 1.048786 ESP Fit Center 4475 is at 3.510843 3.816462 1.048786 ESP Fit Center 4476 is at 3.086640 3.853575 1.048786 ESP Fit Center 4477 is at 2.662436 3.816462 1.048786 ESP Fit Center 4478 is at 2.251123 3.706251 1.048786 ESP Fit Center 4479 is at 1.865195 3.526290 1.048786 ESP Fit Center 4480 is at 1.516381 3.282048 1.048786 ESP Fit Center 4481 is at 2.767648 3.901738 0.638262 ESP Fit Center 4482 is at 2.351247 3.811997 0.638262 ESP Fit Center 4483 is at 1.956001 3.653174 0.638262 ESP Fit Center 4484 is at 1.593282 3.429839 0.638262 ESP Fit Center 4485 is at 3.920478 0.920277 3.216640 ESP Fit Center 4486 is at 3.700592 1.285731 3.216640 ESP Fit Center 4487 is at 3.407285 1.595372 3.216640 ESP Fit Center 4488 is at 4.078258 1.298163 2.937202 ESP Fit Center 4489 is at 3.823477 1.635548 2.937202 ESP Fit Center 4490 is at 3.511040 1.920372 2.937202 ESP Fit Center 4491 is at 3.151586 2.142936 2.937202 ESP Fit Center 4492 is at 2.757357 2.295661 2.937202 ESP Fit Center 4493 is at 2.342656 2.653779 2.618563 ESP Fit Center 4494 is at 1.918121 2.653779 2.618563 ESP Fit Center 4495 is at 1.499377 2.583903 2.618563 ESP Fit Center 4496 is at 1.499377 -2.399716 2.618563 ESP Fit Center 4497 is at 1.920701 2.890170 2.266176 ESP Fit Center 4498 is at 1.506012 2.827666 2.266176 ESP Fit Center 4499 is at 1.105270 2.704053 2.266176 ESP Fit Center 4500 is at 0.727427 2.522094 2.266176 ESP Fit Center 4501 is at 0.380924 2.285852 2.266176 ESP Fit Center 4502 is at 0.073502 2.000605 2.266176 ESP Fit Center 4503 is at 0.073502 -1.816418 2.266176 ESP Fit Center 4504 is at 0.380924 -2.101665 2.266176 ESP Fit Center 4505 is at 0.727427 -2.337906 2.266176 ESP Fit Center 4506 is at 1.105270 -2.519866 2.266176 ESP Fit Center 4507 is at 1.506012 -2.643478 2.266176 ESP Fit Center 4508 is at 1.817496 3.069065 1.886070 ESP Fit Center 4509 is at 1.406227 2.996547 1.886070 ESP Fit Center 4510 is at 1.009052 2.867498 1.886070 ESP Fit Center 4511 is at 0.633703 2.684428 1.886070 ESP Fit Center 4512 is at -0.022862 -1.987276 1.886070 ESP Fit Center 4513 is at 0.287486 -2.266714 1.886070 ESP Fit Center 4514 is at 0.633703 -2.500241 1.886070 ESP Fit Center 4515 is at 1.009052 -2.683310 1.886070 ESP Fit Center 4516 is at 1.406227 -2.812360 1.886070 ESP Fit Center 4517 is at 1.817496 -2.884878 1.886070 ESP Fit Center 4518 is at 1.609844 3.178099 1.484749 ESP Fit Center 4519 is at 1.203164 3.081182 1.484749 ESP Fit Center 4520 is at 0.813031 2.930925 1.484749 ESP Fit Center 4521 is at 0.446406 -2.545822 1.484749 ESP Fit Center 4522 is at 0.813031 -2.746738 1.484749 ESP Fit Center 4523 is at 1.203164 -2.896995 1.484749 ESP Fit Center 4524 is at 1.609844 -2.993912 1.484749 ESP Fit Center 4525 is at 2.025813 -3.035758 1.484749 ESP Fit Center 4526 is at 1.298989 3.194919 1.069080 ESP Fit Center 4527 is at 1.298989 -3.010732 1.069080 ESP Fit Center 4528 is at 1.711101 -3.092706 1.069080 ESP Fit Center 4529 is at 3.615858 -1.510362 -2.108506 ESP Fit Center 4530 is at 3.760965 -1.121316 -2.108506 ESP Fit Center 4531 is at 3.413351 -1.511871 -2.478053 ESP Fit Center 4532 is at 3.569475 -1.124500 -2.478053 ESP Fit Center 4533 is at 3.166489 -1.490835 -2.820651 ESP Fit Center 4534 is at 3.332286 -1.112857 -2.820651 ESP Fit Center 4535 is at -0.782215 1.075466 -3.130439 ESP Fit Center 4536 is at -1.011151 0.719235 -3.130439 ESP Fit Center 4537 is at -1.168533 0.326115 -3.130439 ESP Fit Center 4538 is at -1.248672 -0.089686 -3.130439 ESP Fit Center 4539 is at -0.782215 -1.678291 -3.130439 ESP Fit Center 4540 is at -0.489999 -1.984759 -3.130439 ESP Fit Center 4541 is at 2.842425 -1.505628 -3.130439 ESP Fit Center 4542 is at -0.674479 0.687213 -3.402116 ESP Fit Center 4543 is at -0.848590 0.310880 -3.402116 ESP Fit Center 4544 is at -0.937729 -0.094084 -3.402116 ESP Fit Center 4545 is at -0.937729 -0.508741 -3.402116 ESP Fit Center 4546 is at -0.848590 -0.913705 -3.402116 ESP Fit Center 4547 is at -0.674479 -1.290038 -3.402116 ESP Fit Center 4548 is at -0.423539 -1.620144 -3.402116 ESP Fit Center 4549 is at -0.107503 -1.888588 -3.402116 ESP Fit Center 4550 is at -0.552704 0.106228 -3.631033 ESP Fit Center 4551 is at -0.606371 -0.301412 -3.631033 ESP Fit Center 4552 is at -0.552704 -0.709052 -3.631033 ESP Fit Center 4553 is at -0.395361 -1.088912 -3.631033 ESP Fit Center 4554 is at -0.145064 -1.415106 -3.631033 ESP Fit Center 4555 is at 0.181129 -1.665402 -3.631033 ESP Fit Center 4556 is at 0.560989 -1.822746 -3.631033 ESP Fit Center 4557 is at 1.756129 -1.665402 -3.631033 ESP Fit Center 4558 is at -0.236824 -0.301412 -3.813273 ESP Fit Center 4559 is at -0.164126 -0.713702 -3.813273 ESP Fit Center 4560 is at 0.045198 -1.076263 -3.813273 ESP Fit Center 4561 is at 0.365902 -1.345365 -3.813273 ESP Fit Center 4562 is at 0.759304 -1.488552 -3.813273 ESP Fit Center 4563 is at 1.177953 -1.488552 -3.813273 ESP Fit Center 4564 is at 1.742254 0.092239 4.584324 ESP Fit Center 4565 is at 2.157032 0.092239 4.549954 ESP Fit Center 4566 is at 1.949643 0.451447 4.549954 ESP Fit Center 4567 is at 1.534865 0.451447 4.549954 ESP Fit Center 4568 is at 1.327476 0.092239 4.549954 ESP Fit Center 4569 is at 1.534865 -0.266970 4.549954 ESP Fit Center 4570 is at 1.949643 -0.266970 4.549954 ESP Fit Center 4571 is at 2.560497 0.092239 4.447783 ESP Fit Center 4572 is at 2.450873 0.501360 4.447783 ESP Fit Center 4573 is at 2.151375 0.800857 4.447783 ESP Fit Center 4574 is at 1.742254 0.910481 4.447783 ESP Fit Center 4575 is at 1.333133 0.800857 4.447783 ESP Fit Center 4576 is at 1.033635 0.501360 4.447783 ESP Fit Center 4577 is at 0.924011 0.092239 4.447783 ESP Fit Center 4578 is at 1.033635 -0.316883 4.447783 ESP Fit Center 4579 is at 1.333133 -0.616380 4.447783 ESP Fit Center 4580 is at 1.742254 -0.726004 4.447783 ESP Fit Center 4581 is at 2.151375 -0.616380 4.447783 ESP Fit Center 4582 is at 2.450873 -0.316883 4.447783 ESP Fit Center 4583 is at 2.941641 0.092239 4.280598 ESP Fit Center 4584 is at 2.869310 0.502453 4.280598 ESP Fit Center 4585 is at 2.661038 0.863190 4.280598 ESP Fit Center 4586 is at 2.341948 1.130939 4.280598 ESP Fit Center 4587 is at 1.950525 1.273405 4.280598 ESP Fit Center 4588 is at 1.533983 1.273405 4.280598 ESP Fit Center 4589 is at 1.142560 1.130939 4.280598 ESP Fit Center 4590 is at 0.823470 0.863190 4.280598 ESP Fit Center 4591 is at 0.615198 0.502453 4.280598 ESP Fit Center 4592 is at 0.542867 0.092239 4.280598 ESP Fit Center 4593 is at 0.615198 -0.317976 4.280598 ESP Fit Center 4594 is at 0.823470 -0.678713 4.280598 ESP Fit Center 4595 is at 1.142560 -0.946461 4.280598 ESP Fit Center 4596 is at 1.533983 -1.088927 4.280598 ESP Fit Center 4597 is at 1.950525 -1.088927 4.280598 ESP Fit Center 4598 is at 2.341948 -0.946461 4.280598 ESP Fit Center 4599 is at 2.661038 -0.678713 4.280598 ESP Fit Center 4600 is at 2.869310 -0.317976 4.280598 ESP Fit Center 4601 is at 3.290070 0.092239 4.052958 ESP Fit Center 4602 is at 3.232673 0.509834 4.052958 ESP Fit Center 4603 is at 3.064738 0.896459 4.052958 ESP Fit Center 4604 is at 2.798721 1.223438 4.052958 ESP Fit Center 4605 is at 2.454350 1.466522 4.052958 ESP Fit Center 4606 is at 2.057166 1.607681 4.052958 ESP Fit Center 4607 is at 1.636627 1.636446 4.052958 ESP Fit Center 4608 is at 1.223922 1.550685 4.052958 ESP Fit Center 4609 is at 0.849659 1.356758 4.052958 ESP Fit Center 4610 is at 0.541596 1.069047 4.052958 ESP Fit Center 4611 is at 0.322580 0.708890 4.052958 ESP Fit Center 4612 is at 0.208854 0.302999 4.052958 ESP Fit Center 4613 is at 0.208854 -0.118522 4.052958 ESP Fit Center 4614 is at 0.322580 -0.524413 4.052958 ESP Fit Center 4615 is at 0.541596 -0.884569 4.052958 ESP Fit Center 4616 is at 0.849659 -1.172281 4.052958 ESP Fit Center 4617 is at 1.223922 -1.366208 4.052958 ESP Fit Center 4618 is at 1.636627 -1.451969 4.052958 ESP Fit Center 4619 is at 2.057166 -1.423203 4.052958 ESP Fit Center 4620 is at 3.232673 -0.325357 4.052958 ESP Fit Center 4621 is at 3.596278 0.092239 3.771074 ESP Fit Center 4622 is at 3.546303 0.519806 3.771074 ESP Fit Center 4623 is at 3.399071 0.924323 3.771074 ESP Fit Center 4624 is at 3.162519 1.283982 3.771074 ESP Fit Center 4625 is at 2.849401 1.579394 3.771074 ESP Fit Center 4626 is at 2.476595 1.794633 3.771074 ESP Fit Center 4627 is at 2.064202 1.918096 3.771074 ESP Fit Center 4628 is at 1.634452 1.943126 3.771074 ESP Fit Center 4629 is at 1.210514 1.868374 3.771074 ESP Fit Center 4630 is at 0.815242 1.697871 3.771074 ESP Fit Center 4631 is at 0.469945 1.440807 3.771074 ESP Fit Center 4632 is at 0.193239 1.111042 3.771074 ESP Fit Center 4633 is at 0.000041 0.726352 3.771074 ESP Fit Center 4634 is at -0.099234 0.307478 3.771074 ESP Fit Center 4635 is at -0.099234 -0.123001 3.771074 ESP Fit Center 4636 is at 0.000041 -0.541875 3.771074 ESP Fit Center 4637 is at 0.193239 -0.926564 3.771074 ESP Fit Center 4638 is at 0.469945 -1.256330 3.771074 ESP Fit Center 4639 is at 0.815242 -1.513394 3.771074 ESP Fit Center 4640 is at 1.210514 -1.683897 3.771074 ESP Fit Center 4641 is at 1.634452 -1.758649 3.771074 ESP Fit Center 4642 is at 3.808729 0.516910 3.442633 ESP Fit Center 4643 is at 3.680942 0.924195 3.442633 ESP Fit Center 4644 is at 3.473785 1.297420 3.442633 ESP Fit Center 4645 is at 3.195740 1.621305 3.442633 ESP Fit Center 4646 is at 2.858188 1.882589 3.442633 ESP Fit Center 4647 is at 2.474950 2.070576 3.442633 ESP Fit Center 4648 is at 2.061715 2.177570 3.442633 ESP Fit Center 4649 is at 1.635401 2.199190 3.442633 ESP Fit Center 4650 is at 1.213462 2.134552 3.442633 ESP Fit Center 4651 is at 0.813172 1.986300 3.442633 ESP Fit Center 4652 is at 0.450919 1.760506 3.442633 ESP Fit Center 4653 is at 0.141533 1.466413 3.442633 ESP Fit Center 4654 is at -0.102320 1.116060 3.442633 ESP Fit Center 4655 is at -0.270655 0.723793 3.442633 ESP Fit Center 4656 is at -0.356582 0.305669 3.442633 ESP Fit Center 4657 is at -0.356582 -0.121192 3.442633 ESP Fit Center 4658 is at -0.270655 -0.539316 3.442633 ESP Fit Center 4659 is at -0.102320 -0.931583 3.442633 ESP Fit Center 4660 is at 0.141533 -1.281936 3.442633 ESP Fit Center 4661 is at 0.450919 -1.576029 3.442633 ESP Fit Center 4662 is at 0.813172 -1.801823 3.442633 ESP Fit Center 4663 is at 1.213462 -1.950075 3.442633 ESP Fit Center 4664 is at 1.635401 -2.014713 3.442633 ESP Fit Center 4665 is at 2.770906 2.158051 3.076596 ESP Fit Center 4666 is at 2.373799 2.311891 3.076596 ESP Fit Center 4667 is at 1.955186 2.390143 3.076596 ESP Fit Center 4668 is at 1.529322 2.390143 3.076596 ESP Fit Center 4669 is at 1.110709 2.311891 3.076596 ESP Fit Center 4670 is at 0.713602 2.158051 3.076596 ESP Fit Center 4671 is at 0.351525 1.933862 3.076596 ESP Fit Center 4672 is at 0.036807 1.646959 3.076596 ESP Fit Center 4673 is at -0.219834 1.307112 3.076596 ESP Fit Center 4674 is at -0.409658 0.925894 3.076596 ESP Fit Center 4675 is at -0.526201 0.516286 3.076596 ESP Fit Center 4676 is at -0.565495 0.092239 3.076596 ESP Fit Center 4677 is at -0.526201 -0.331809 3.076596 ESP Fit Center 4678 is at -0.409658 -0.741416 3.076596 ESP Fit Center 4679 is at -0.219834 -1.122635 3.076596 ESP Fit Center 4680 is at 0.036807 -1.462482 3.076596 ESP Fit Center 4681 is at 0.351525 -1.749385 3.076596 ESP Fit Center 4682 is at 0.713602 -1.973573 3.076596 ESP Fit Center 4683 is at 1.110709 -2.127413 3.076596 ESP Fit Center 4684 is at 1.529322 -2.205666 3.076596 ESP Fit Center 4685 is at 1.318051 2.498014 2.682947 ESP Fit Center 4686 is at 0.906737 2.387803 2.682947 ESP Fit Center 4687 is at 0.520810 2.207842 2.682947 ESP Fit Center 4688 is at 0.171995 1.963600 2.682947 ESP Fit Center 4689 is at -0.129107 1.662497 2.682947 ESP Fit Center 4690 is at -0.373350 1.313683 2.682947 ESP Fit Center 4691 is at -0.553310 0.927756 2.682947 ESP Fit Center 4692 is at -0.663522 0.516442 2.682947 ESP Fit Center 4693 is at -0.700635 0.092239 2.682947 ESP Fit Center 4694 is at -0.663522 -0.331965 2.682947 ESP Fit Center 4695 is at -0.553310 -0.743279 2.682947 ESP Fit Center 4696 is at -0.373350 -1.129206 2.682947 ESP Fit Center 4697 is at -0.129107 -1.478020 2.682947 ESP Fit Center 4698 is at 0.171995 -1.779123 2.682947 ESP Fit Center 4699 is at 0.520810 -2.023365 2.682947 ESP Fit Center 4700 is at 0.906737 -2.203326 2.682947 ESP Fit Center 4701 is at 1.318051 -2.313537 2.682947 ESP Fit Center 4702 is at -0.760092 0.305220 2.272424 ESP Fit Center 4703 is at -0.760092 -0.120742 2.272424 ESP Fit Center 4704 is at -0.688104 -0.540577 2.272424 ESP Fit Center 4705 is at -0.546199 -0.942207 2.272424 ESP Fit Center 4706 is at -0.338459 -1.314078 2.272424 ESP Fit Center 4707 is at -0.070861 -1.645492 2.272424 ESP Fit Center 4708 is at 2.026413 -3.202426 1.026828 ESP Fit Center 4709 is at 2.412340 -3.382387 1.026828 ESP Fit Center 4710 is at 2.117218 -3.329310 0.616305 ESP Fit Center 4711 is at 2.512464 -3.488133 0.616305 ESP Fit Center 4712 is at 2.512464 -3.488133 0.200105 ESP Fit Center 4713 is at 2.928865 -3.577874 0.200105 ESP Fit Center 4714 is at 2.823654 -3.492598 -0.210419 ESP Fit Center 4715 is at 3.247857 -3.529711 -0.210419 ESP Fit Center 4716 is at 3.672060 -3.492598 -0.210419 ESP Fit Center 4717 is at 3.034925 -3.384727 -0.604068 ESP Fit Center 4718 is at 3.460789 -3.384727 -0.604068 ESP Fit Center 4719 is at 3.879402 -3.306474 -0.604068 ESP Fit Center 4720 is at 3.567318 -3.172154 -0.970105 ESP Fit Center 4721 is at 3.980553 -3.065160 -0.970105 ESP Fit Center 4722 is at 4.363791 -2.877173 -0.970105 ESP Fit Center 4723 is at 5.101881 -1.086822 -1.298545 ESP Fit Center 4724 is at 3.569805 -2.912680 -1.298545 ESP Fit Center 4725 is at 3.982198 -2.789217 -1.298545 ESP Fit Center 4726 is at 4.355003 -2.573978 -1.298545 ESP Fit Center 4727 is at 4.668122 -2.278566 -1.298545 ESP Fit Center 4728 is at 4.904674 -1.918907 -1.298545 ESP Fit Center 4729 is at 5.051906 -1.514390 -1.298545 ESP Fit Center 4730 is at 4.795673 -1.086822 -1.580429 ESP Fit Center 4731 is at 3.562769 -2.602264 -1.580429 ESP Fit Center 4732 is at 3.959953 -2.461105 -1.580429 ESP Fit Center 4733 is at 4.304324 -2.218022 -1.580429 ESP Fit Center 4734 is at 4.570341 -1.891043 -1.580429 ESP Fit Center 4735 is at 4.738276 -1.504418 -1.580429 ESP Fit Center 4736 is at 3.847551 -2.125522 -1.808069 ESP Fit Center 4737 is at 4.166641 -1.857774 -1.808069 ESP Fit Center 4738 is at 4.374912 -1.497037 -1.808069 ESP Fit Center 4739 is at 3.656978 -1.795441 -1.975255 ESP Fit Center 4740 is at 3.956476 -1.495944 -1.975255 ESP Fit Center 4741 is at 5.007708 -1.340837 3.985438 ESP Fit Center 4742 is at 4.895927 -0.923664 3.985438 ESP Fit Center 4743 is at 4.590535 -0.618272 3.985438 ESP Fit Center 4744 is at 5.399136 -1.340837 3.823303 ESP Fit Center 4745 is at 5.325213 -0.921597 3.823303 ESP Fit Center 4746 is at 5.112360 -0.552924 3.823303 ESP Fit Center 4747 is at 4.786249 -0.279285 3.823303 ESP Fit Center 4748 is at 4.386215 -0.133685 3.823303 ESP Fit Center 4749 is at 5.325213 -1.760076 3.823303 ESP Fit Center 4750 is at 5.760382 -1.340837 3.601932 ESP Fit Center 4751 is at 5.706306 -0.930086 3.601932 ESP Fit Center 4752 is at 4.173362 0.246184 3.601932 ESP Fit Center 4753 is at 3.762611 0.192107 3.601932 ESP Fit Center 4754 is at 5.295555 -2.463029 3.601932 ESP Fit Center 4755 is at 5.547762 -2.134347 3.601932 ESP Fit Center 4756 is at 5.706306 -1.751588 3.601932 ESP Fit Center 4757 is at 6.082550 -1.340837 3.326774 ESP Fit Center 4758 is at 6.034683 -0.916002 3.326774 ESP Fit Center 4759 is at 5.001728 -3.060956 3.326774 ESP Fit Center 4760 is at 5.363721 -2.833500 3.326774 ESP Fit Center 4761 is at 5.666026 -2.531196 3.326774 ESP Fit Center 4762 is at 5.893481 -2.169202 3.326774 ESP Fit Center 4763 is at 6.034683 -1.765671 3.326774 ESP Fit Center 4764 is at 6.357708 -1.340837 3.004606 ESP Fit Center 4765 is at 4.688341 -3.463609 3.004606 ESP Fit Center 4766 is at 5.080772 -3.327788 3.004606 ESP Fit Center 4767 is at 5.440407 -3.120152 3.004606 ESP Fit Center 4768 is at 5.754247 -2.848208 3.004606 ESP Fit Center 4769 is at 6.010951 -2.521783 3.004606 ESP Fit Center 4770 is at 6.201239 -2.152676 3.004606 ESP Fit Center 4771 is at 6.318234 -1.754227 3.004606 ESP Fit Center 4772 is at 6.579080 -1.340837 2.643360 ESP Fit Center 4773 is at 4.173362 -3.746554 2.643360 ESP Fit Center 4774 is at 4.591110 -3.710006 2.643360 ESP Fit Center 4775 is at 6.433997 -2.163641 2.643360 ESP Fit Center 4776 is at 6.542531 -1.758585 2.643360 ESP Fit Center 4777 is at 6.741215 -1.340837 2.251932 ESP Fit Center 4778 is at 3.542991 -3.830114 2.251932 ESP Fit Center 4779 is at 3.961310 -3.899919 2.251932 ESP Fit Center 4780 is at 6.706192 -1.763491 2.251932 ESP Fit Center 4781 is at 6.840121 -1.340837 1.839959 ESP Fit Center 4782 is at 2.605881 -3.498290 1.839959 ESP Fit Center 4783 is at 2.962679 -3.716936 1.839959 ESP Fit Center 4784 is at 3.349288 -3.877075 1.839959 ESP Fit Center 4785 is at 3.756189 -3.974763 1.839959 ESP Fit Center 4786 is at 6.873362 -1.340837 1.417586 ESP Fit Center 4787 is at 2.376983 -3.356530 1.417586 ESP Fit Center 4788 is at 2.705730 -3.607123 1.417586 ESP Fit Center 4789 is at 3.068877 -3.804596 1.417586 ESP Fit Center 4790 is at 3.457912 -3.944321 1.417586 ESP Fit Center 4791 is at 6.807288 -0.923664 0.995213 ESP Fit Center 4792 is at 2.605881 -3.498290 0.995213 ESP Fit Center 4793 is at 2.962679 -3.716936 0.995213 ESP Fit Center 4794 is at 3.349288 -3.877075 0.995213 ESP Fit Center 4795 is at 6.706192 -0.918182 0.583240 ESP Fit Center 4796 is at 3.141867 -3.692408 0.583240 ESP Fit Center 4797 is at 3.542991 -3.830114 0.583240 ESP Fit Center 4798 is at 6.542531 -0.923088 0.191811 ESP Fit Center 4799 is at 6.433997 -0.518033 0.191811 ESP Fit Center 4800 is at 3.350558 -3.601472 0.191811 ESP Fit Center 4801 is at 6.318234 -0.927446 -0.169434 ESP Fit Center 4802 is at 6.201239 -0.528997 -0.169434 ESP Fit Center 4803 is at 6.010951 -0.159890 -0.169434 ESP Fit Center 4804 is at 6.082550 -1.340837 -0.491603 ESP Fit Center 4805 is at 6.034683 -0.916002 -0.491603 ESP Fit Center 4806 is at 5.893481 -0.512471 -0.491603 ESP Fit Center 4807 is at 5.760382 -1.340837 -0.766760 ESP Fit Center 4808 is at 5.706306 -0.930086 -0.766760 ESP Fit Center 4809 is at 5.547762 -0.547327 -0.766760 ESP Fit Center 4810 is at 5.399136 -1.340837 -0.988132 ESP Fit Center 4811 is at 5.325213 -1.760076 -0.988132 ESP Fit Center 4812 is at 3.648608 -1.635712 4.485991 ESP Fit Center 4813 is at 4.070003 -1.635712 4.444487 ESP Fit Center 4814 is at 3.859306 -1.270773 4.444487 ESP Fit Center 4815 is at 3.437911 -1.270773 4.444487 ESP Fit Center 4816 is at 3.227213 -1.635712 4.444487 ESP Fit Center 4817 is at 3.437911 -2.000650 4.444487 ESP Fit Center 4818 is at 3.859306 -2.000650 4.444487 ESP Fit Center 4819 is at 4.475205 -1.635712 4.321570 ESP Fit Center 4820 is at 4.364462 -1.222413 4.321570 ESP Fit Center 4821 is at 4.061906 -0.919858 4.321570 ESP Fit Center 4822 is at 3.648608 -0.809115 4.321570 ESP Fit Center 4823 is at 3.235310 -0.919858 4.321570 ESP Fit Center 4824 is at 2.932755 -1.222413 4.321570 ESP Fit Center 4825 is at 2.822012 -1.635712 4.321570 ESP Fit Center 4826 is at 2.932755 -2.049010 4.321570 ESP Fit Center 4827 is at 3.235310 -2.351565 4.321570 ESP Fit Center 4828 is at 3.648608 -2.462308 4.321570 ESP Fit Center 4829 is at 4.061906 -2.351565 4.321570 ESP Fit Center 4830 is at 4.364462 -2.049010 4.321570 ESP Fit Center 4831 is at 4.848640 -1.635712 4.121965 ESP Fit Center 4832 is at 4.776269 -1.225277 4.121965 ESP Fit Center 4833 is at 4.567886 -0.864346 4.121965 ESP Fit Center 4834 is at 4.248624 -0.596454 4.121965 ESP Fit Center 4835 is at 3.856992 -0.453911 4.121965 ESP Fit Center 4836 is at 3.440225 -0.453911 4.121965 ESP Fit Center 4837 is at 3.048592 -0.596454 4.121965 ESP Fit Center 4838 is at 2.520947 -1.225277 4.121965 ESP Fit Center 4839 is at 2.448577 -1.635712 4.121965 ESP Fit Center 4840 is at 2.520947 -2.046147 4.121965 ESP Fit Center 4841 is at 2.729331 -2.407077 4.121965 ESP Fit Center 4842 is at 3.048592 -2.674969 4.121965 ESP Fit Center 4843 is at 3.440225 -2.817512 4.121965 ESP Fit Center 4844 is at 3.856992 -2.817512 4.121965 ESP Fit Center 4845 is at 4.248624 -2.674969 4.121965 ESP Fit Center 4846 is at 4.567886 -2.407077 4.121965 ESP Fit Center 4847 is at 4.776269 -2.046147 4.121965 ESP Fit Center 4848 is at 3.959357 -0.140307 3.853341 ESP Fit Center 4849 is at 3.544378 -0.111922 3.853341 ESP Fit Center 4850 is at 2.135484 -1.843686 3.853341 ESP Fit Center 4851 is at 2.247705 -2.244210 3.853341 ESP Fit Center 4852 is at 2.463825 -2.599604 3.853341 ESP Fit Center 4853 is at 2.767815 -2.883511 3.853341 ESP Fit Center 4854 is at 3.137130 -3.074874 3.853341 ESP Fit Center 4855 is at 3.544378 -3.159502 3.853341 ESP Fit Center 4856 is at 3.959357 -3.131116 3.853341 ESP Fit Center 4857 is at 4.351289 -2.991824 3.853341 ESP Fit Center 4858 is at 4.691106 -2.751954 3.853341 ESP Fit Center 4859 is at 4.953606 -2.429298 3.853341 ESP Fit Center 4860 is at 5.119321 -2.047786 3.853341 ESP Fit Center 4861 is at 1.960944 -2.249971 3.526022 ESP Fit Center 4862 is at 2.148094 -2.622616 3.526022 ESP Fit Center 4863 is at 2.416136 -2.942056 3.526022 ESP Fit Center 4864 is at 2.750621 -3.191071 3.526022 ESP Fit Center 4865 is at 3.133517 -3.356236 3.526022 ESP Fit Center 4866 is at 3.544182 -3.428647 3.526022 ESP Fit Center 4867 is at 3.960476 -3.404401 3.526022 ESP Fit Center 4868 is at 4.359957 -3.284804 3.526022 ESP Fit Center 4869 is at 4.721090 -3.076304 3.526022 ESP Fit Center 4870 is at 1.825555 -2.447387 3.152587 ESP Fit Center 4871 is at 2.034150 -2.808684 3.152587 ESP Fit Center 4872 is at 2.313305 -3.118716 3.152587 ESP Fit Center 4873 is at 2.650818 -3.363934 3.152587 ESP Fit Center 4874 is at 3.031940 -3.533621 3.152587 ESP Fit Center 4875 is at 3.440013 -3.620359 3.152587 ESP Fit Center 4876 is at 3.857203 -3.620359 3.152587 ESP Fit Center 4877 is at 4.265276 -3.533621 3.152587 ESP Fit Center 4878 is at 4.646398 -3.363934 3.152587 ESP Fit Center 4879 is at 1.691373 -2.446425 2.747386 ESP Fit Center 4880 is at 1.887143 -2.812685 2.747386 ESP Fit Center 4881 is at 2.150605 -3.133715 2.747386 ESP Fit Center 4882 is at 2.471635 -3.397177 2.747386 ESP Fit Center 4883 is at 2.837895 -3.592947 2.747386 ESP Fit Center 4884 is at 3.235310 -3.713501 2.747386 ESP Fit Center 4885 is at 3.648608 -3.754208 2.747386 ESP Fit Center 4886 is at 4.061906 -3.713501 2.747386 ESP Fit Center 4887 is at 1.950734 -2.970935 2.325991 ESP Fit Center 4888 is at 2.234109 -3.268131 2.325991 ESP Fit Center 4889 is at 2.568608 -3.506326 2.325991 ESP Fit Center 4890 is at 2.942142 -3.676913 2.325991 ESP Fit Center 4891 is at 3.341208 -3.773726 2.325991 ESP Fit Center 4892 is at 2.150605 -3.133715 1.904595 ESP Fit Center 4893 is at 2.471635 -3.397177 1.904595 ESP Fit Center 4894 is at 5.150902 -3.640527 2.633547 ESP Fit Center 4895 is at 5.542834 -3.501234 2.633547 ESP Fit Center 4896 is at 5.882652 -3.261365 2.633547 ESP Fit Center 4897 is at 6.145152 -2.938709 2.633547 ESP Fit Center 4898 is at 6.310866 -2.557196 2.633547 ESP Fit Center 4899 is at 6.636128 -2.145122 2.306229 ESP Fit Center 4900 is at 4.735727 -3.938058 2.306229 ESP Fit Center 4901 is at 5.152021 -3.913811 2.306229 ESP Fit Center 4902 is at 5.551503 -3.794214 2.306229 ESP Fit Center 4903 is at 5.912635 -3.585715 2.306229 ESP Fit Center 4904 is at 6.215950 -3.299552 2.306229 ESP Fit Center 4905 is at 6.445095 -2.951154 2.306229 ESP Fit Center 4906 is at 6.587717 -2.559302 2.306229 ESP Fit Center 4907 is at 6.835733 -2.145122 1.932793 ESP Fit Center 4908 is at 4.223486 -4.043031 1.932793 ESP Fit Center 4909 is at 4.631559 -4.129770 1.932793 ESP Fit Center 4910 is at 5.048749 -4.129770 1.932793 ESP Fit Center 4911 is at 5.456822 -4.043031 1.932793 ESP Fit Center 4912 is at 5.837944 -3.873345 1.932793 ESP Fit Center 4913 is at 6.175457 -3.628127 1.932793 ESP Fit Center 4914 is at 6.454612 -3.318094 1.932793 ESP Fit Center 4915 is at 6.663207 -2.956797 1.932793 ESP Fit Center 4916 is at 6.792125 -2.560026 1.932793 ESP Fit Center 4917 is at 6.958650 -2.145122 1.527592 ESP Fit Center 4918 is at 6.917944 -1.731824 1.527592 ESP Fit Center 4919 is at 4.029440 -4.102357 1.527592 ESP Fit Center 4920 is at 4.426856 -4.222912 1.527592 ESP Fit Center 4921 is at 4.840154 -4.263618 1.527592 ESP Fit Center 4922 is at 5.253452 -4.222912 1.527592 ESP Fit Center 4923 is at 5.650867 -4.102357 1.527592 ESP Fit Center 4924 is at 6.017127 -3.906587 1.527592 ESP Fit Center 4925 is at 6.338157 -3.643125 1.527592 ESP Fit Center 4926 is at 6.601619 -3.322095 1.527592 ESP Fit Center 4927 is at 6.797389 -2.955835 1.527592 ESP Fit Center 4928 is at 6.917944 -2.558420 1.527592 ESP Fit Center 4929 is at 7.000154 -2.145122 1.106197 ESP Fit Center 4930 is at 6.961120 -1.736339 1.106197 ESP Fit Center 4931 is at 3.760154 -4.015737 1.106197 ESP Fit Center 4932 is at 4.133687 -4.186324 1.106197 ESP Fit Center 4933 is at 4.532754 -4.283136 1.106197 ESP Fit Center 4934 is at 4.942931 -4.302675 1.106197 ESP Fit Center 4935 is at 5.349393 -4.244235 1.106197 ESP Fit Center 4936 is at 5.737450 -4.109927 1.106197 ESP Fit Center 4937 is at 6.093077 -3.904606 1.106197 ESP Fit Center 4938 is at 6.403419 -3.635693 1.106197 ESP Fit Center 4939 is at 6.657261 -3.312906 1.106197 ESP Fit Center 4940 is at 6.845428 -2.947913 1.106197 ESP Fit Center 4941 is at 6.961120 -2.553905 1.106197 ESP Fit Center 4942 is at 6.958650 -2.145122 0.684802 ESP Fit Center 4943 is at 6.917944 -1.731824 0.684802 ESP Fit Center 4944 is at 6.797389 -1.334408 0.684802 ESP Fit Center 4945 is at 3.663180 -3.906587 0.684802 ESP Fit Center 4946 is at 4.029440 -4.102357 0.684802 ESP Fit Center 4947 is at 4.426856 -4.222912 0.684802 ESP Fit Center 4948 is at 4.840154 -4.263618 0.684802 ESP Fit Center 4949 is at 5.253452 -4.222912 0.684802 ESP Fit Center 4950 is at 5.650867 -4.102357 0.684802 ESP Fit Center 4951 is at 6.017127 -3.906587 0.684802 ESP Fit Center 4952 is at 6.338157 -3.643125 0.684802 ESP Fit Center 4953 is at 6.601619 -3.322095 0.684802 ESP Fit Center 4954 is at 6.797389 -2.955835 0.684802 ESP Fit Center 4955 is at 6.917944 -2.558420 0.684802 ESP Fit Center 4956 is at 6.835733 -2.145122 0.279601 ESP Fit Center 4957 is at 6.792125 -1.730218 0.279601 ESP Fit Center 4958 is at 6.663207 -1.333446 0.279601 ESP Fit Center 4959 is at 3.842364 -3.873345 0.279601 ESP Fit Center 4960 is at 4.223486 -4.043031 0.279601 ESP Fit Center 4961 is at 4.631559 -4.129770 0.279601 ESP Fit Center 4962 is at 5.048749 -4.129770 0.279601 ESP Fit Center 4963 is at 5.456822 -4.043031 0.279601 ESP Fit Center 4964 is at 5.837944 -3.873345 0.279601 ESP Fit Center 4965 is at 6.175457 -3.628127 0.279601 ESP Fit Center 4966 is at 6.454612 -3.318094 0.279601 ESP Fit Center 4967 is at 6.663207 -2.956797 0.279601 ESP Fit Center 4968 is at 6.792125 -2.560026 0.279601 ESP Fit Center 4969 is at 6.636128 -2.145122 -0.093835 ESP Fit Center 4970 is at 6.587717 -1.730942 -0.093835 ESP Fit Center 4971 is at 6.445095 -1.339090 -0.093835 ESP Fit Center 4972 is at 3.942167 -3.700481 -0.093835 ESP Fit Center 4973 is at 4.325062 -3.865646 -0.093835 ESP Fit Center 4974 is at 4.735727 -3.938058 -0.093835 ESP Fit Center 4975 is at 5.152021 -3.913811 -0.093835 ESP Fit Center 4976 is at 5.551503 -3.794214 -0.093835 ESP Fit Center 4977 is at 5.912635 -3.585715 -0.093835 ESP Fit Center 4978 is at 6.215950 -3.299552 -0.093835 ESP Fit Center 4979 is at 6.445095 -2.951154 -0.093835 ESP Fit Center 4980 is at 6.587717 -2.559302 -0.093835 ESP Fit Center 4981 is at 6.367504 -2.145122 -0.421154 ESP Fit Center 4982 is at 6.310866 -1.733048 -0.421154 ESP Fit Center 4983 is at 3.959361 -3.392921 -0.421154 ESP Fit Center 4984 is at 4.328675 -3.584285 -0.421154 ESP Fit Center 4985 is at 4.735924 -3.668912 -0.421154 ESP Fit Center 4986 is at 5.150902 -3.640527 -0.421154 ESP Fit Center 4987 is at 5.542834 -3.501234 -0.421154 ESP Fit Center 4988 is at 5.882652 -3.261365 -0.421154 ESP Fit Center 4989 is at 6.145152 -2.938709 -0.421154 ESP Fit Center 4990 is at 6.310866 -2.557196 -0.421154 ESP Fit Center 4991 is at 6.040185 -2.145122 -0.689778 ESP Fit Center 4992 is at 5.967815 -1.734687 -0.689778 ESP Fit Center 4993 is at 4.240138 -3.184380 -0.689778 ESP Fit Center 4994 is at 4.631770 -3.326922 -0.689778 ESP Fit Center 4995 is at 5.048537 -3.326922 -0.689778 ESP Fit Center 4996 is at 5.440170 -3.184380 -0.689778 ESP Fit Center 4997 is at 5.759431 -2.916487 -0.689778 ESP Fit Center 4998 is at 5.967815 -2.555557 -0.689778 ESP Fit Center 4999 is at 5.666750 -2.145122 -0.889383 ESP Fit Center 5000 is at 5.556007 -1.731824 -0.889383 ESP Fit Center 5001 is at 4.840154 -2.971718 -0.889383 ESP Fit Center 5002 is at 5.253452 -2.860975 -0.889383 ESP Fit Center 5003 is at 5.556007 -2.558420 -0.889383 ESP Fit Center 5004 is at 5.261549 -2.145122 -1.012299 ESP Fit Center 5005 is at 5.050851 -2.510061 -1.012299 ESP Fit Center 5006 is at 4.967924 -0.076205 3.729523 ESP Fit Center 5007 is at 5.583823 -0.441144 3.606607 ESP Fit Center 5008 is at 5.473080 -0.027846 3.606607 ESP Fit Center 5009 is at 5.170525 0.274710 3.606607 ESP Fit Center 5010 is at 4.757227 0.385452 3.606607 ESP Fit Center 5011 is at 4.343929 0.274710 3.606607 ESP Fit Center 5012 is at 5.957259 -0.441144 3.407001 ESP Fit Center 5013 is at 5.884888 -0.030709 3.407001 ESP Fit Center 5014 is at 5.676504 0.330222 3.407001 ESP Fit Center 5015 is at 5.357243 0.598114 3.407001 ESP Fit Center 5016 is at 4.965610 0.740657 3.407001 ESP Fit Center 5017 is at 4.548844 0.740657 3.407001 ESP Fit Center 5018 is at 4.157211 0.598114 3.407001 ESP Fit Center 5019 is at 6.284577 -0.441144 3.138378 ESP Fit Center 5020 is at 6.227939 -0.029069 3.138378 ESP Fit Center 5021 is at 6.062225 0.352443 3.138378 ESP Fit Center 5022 is at 5.799725 0.675099 3.138378 ESP Fit Center 5023 is at 5.459907 0.914968 3.138378 ESP Fit Center 5024 is at 5.067976 1.054261 3.138378 ESP Fit Center 5025 is at 4.652997 1.082646 3.138378 ESP Fit Center 5026 is at 4.245748 0.998019 3.138378 ESP Fit Center 5027 is at 6.227939 -0.853218 3.138378 ESP Fit Center 5028 is at 6.553201 -0.441144 2.811059 ESP Fit Center 5029 is at 6.504790 -0.026964 2.811059 ESP Fit Center 5030 is at 6.362168 0.364888 2.811059 ESP Fit Center 5031 is at 6.133023 0.713286 2.811059 ESP Fit Center 5032 is at 5.829708 0.999449 2.811059 ESP Fit Center 5033 is at 5.468576 1.207949 2.811059 ESP Fit Center 5034 is at 5.069095 1.327546 2.811059 ESP Fit Center 5035 is at 4.652800 1.351792 2.811059 ESP Fit Center 5036 is at 4.242136 1.279381 2.811059 ESP Fit Center 5037 is at 6.504790 -0.855324 2.811059 ESP Fit Center 5038 is at 6.752807 -0.441144 2.437623 ESP Fit Center 5039 is at 6.709198 -0.026239 2.437623 ESP Fit Center 5040 is at 6.580280 0.370532 2.437623 ESP Fit Center 5041 is at 6.371685 0.731829 2.437623 ESP Fit Center 5042 is at 6.092530 1.041861 2.437623 ESP Fit Center 5043 is at 5.755017 1.287079 2.437623 ESP Fit Center 5044 is at 5.373895 1.456765 2.437623 ESP Fit Center 5045 is at 4.965822 1.543504 2.437623 ESP Fit Center 5046 is at 6.709198 -0.856048 2.437623 ESP Fit Center 5047 is at 6.875723 -0.441144 2.032422 ESP Fit Center 5048 is at 6.835017 -0.027846 2.032422 ESP Fit Center 5049 is at 6.714462 0.369570 2.032422 ESP Fit Center 5050 is at 6.518692 0.735830 2.032422 ESP Fit Center 5051 is at 6.255230 1.056859 2.032422 ESP Fit Center 5052 is at 5.934200 1.320321 2.032422 ESP Fit Center 5053 is at 5.567940 1.516092 2.032422 ESP Fit Center 5054 is at 5.170525 1.636646 2.032422 ESP Fit Center 5055 is at 6.835017 -0.854442 2.032422 ESP Fit Center 5056 is at 6.917227 -0.441144 1.611027 ESP Fit Center 5057 is at 6.878193 -0.032361 1.611027 ESP Fit Center 5058 is at 6.762502 0.361647 1.611027 ESP Fit Center 5059 is at 6.574334 0.726640 1.611027 ESP Fit Center 5060 is at 6.320492 1.049427 1.611027 ESP Fit Center 5061 is at 6.010150 1.318340 1.611027 ESP Fit Center 5062 is at 5.654523 1.523661 1.611027 ESP Fit Center 5063 is at 6.878193 -0.849926 1.611027 ESP Fit Center 5064 is at 6.875723 -0.441144 1.189632 ESP Fit Center 5065 is at 6.835017 -0.027846 1.189632 ESP Fit Center 5066 is at 6.714462 0.369570 1.189632 ESP Fit Center 5067 is at 6.518692 0.735830 1.189632 ESP Fit Center 5068 is at 6.255230 1.056859 1.189632 ESP Fit Center 5069 is at 5.934200 1.320321 1.189632 ESP Fit Center 5070 is at 5.567940 1.516092 1.189632 ESP Fit Center 5071 is at 6.835017 -0.854442 1.189632 ESP Fit Center 5072 is at 6.752807 -0.441144 0.784431 ESP Fit Center 5073 is at 6.709198 -0.026239 0.784431 ESP Fit Center 5074 is at 6.580280 0.370532 0.784431 ESP Fit Center 5075 is at 6.371685 0.731829 0.784431 ESP Fit Center 5076 is at 6.092530 1.041861 0.784431 ESP Fit Center 5077 is at 5.755017 1.287079 0.784431 ESP Fit Center 5078 is at 6.553201 -0.441144 0.410995 ESP Fit Center 5079 is at 6.504790 -0.026964 0.410995 ESP Fit Center 5080 is at 6.362168 0.364888 0.410995 ESP Fit Center 5081 is at 6.133023 0.713286 0.410995 ESP Fit Center 5082 is at 5.829708 0.999449 0.410995 ESP Fit Center 5083 is at 6.227939 -0.029069 0.083676 ESP Fit Center 5084 is at 6.062225 0.352443 0.083676 ESP Fit Center 5085 is at 5.799725 0.675099 0.083676 ESP Fit Center 5086 is at 0.746104 2.849719 -2.327042 ESP Fit Center 5087 is at 1.057294 2.854184 -2.737566 ESP Fit Center 5088 is at 0.645980 2.743973 -2.737566 ESP Fit Center 5089 is at 0.260053 2.564012 -2.737566 ESP Fit Center 5090 is at 3.597101 -0.773036 -2.737566 ESP Fit Center 5091 is at 1.268565 2.746313 -3.131215 ESP Fit Center 5092 is at 0.849952 2.668060 -3.131215 ESP Fit Center 5093 is at 0.452845 2.514220 -3.131215 ESP Fit Center 5094 is at 0.090768 2.290032 -3.131215 ESP Fit Center 5095 is at -0.223950 2.003129 -3.131215 ESP Fit Center 5096 is at -0.480590 1.663282 -3.131215 ESP Fit Center 5097 is at -0.670414 1.282064 -3.131215 ESP Fit Center 5098 is at 3.186944 -1.106312 -3.131215 ESP Fit Center 5099 is at 3.443585 -0.766465 -3.131215 ESP Fit Center 5100 is at 3.633409 -0.385247 -3.131215 ESP Fit Center 5101 is at 3.591157 0.448408 -3.497252 ESP Fit Center 5102 is at 3.547972 0.873080 -3.497252 ESP Fit Center 5103 is at 1.800958 2.533740 -3.497252 ESP Fit Center 5104 is at 1.374645 2.555360 -3.497252 ESP Fit Center 5105 is at 0.952706 2.490722 -3.497252 ESP Fit Center 5106 is at 0.552415 2.342470 -3.497252 ESP Fit Center 5107 is at 0.190162 2.116676 -3.497252 ESP Fit Center 5108 is at -0.119224 1.822583 -3.497252 ESP Fit Center 5109 is at -0.363077 1.472230 -3.497252 ESP Fit Center 5110 is at -0.531412 1.079963 -3.497252 ESP Fit Center 5111 is at -0.617338 0.661839 -3.497252 ESP Fit Center 5112 is at 2.597431 -1.341942 -3.497252 ESP Fit Center 5113 is at 2.934983 -1.080658 -3.497252 ESP Fit Center 5114 is at 3.213029 -0.756773 -3.497252 ESP Fit Center 5115 is at 3.420185 -0.383548 -3.497252 ESP Fit Center 5116 is at 3.547972 0.023737 -3.497252 ESP Fit Center 5117 is at 3.335521 0.448408 -3.825692 ESP Fit Center 5118 is at 3.285546 0.875976 -3.825692 ESP Fit Center 5119 is at 3.138314 1.280493 -3.825692 ESP Fit Center 5120 is at 2.901762 1.640152 -3.825692 ESP Fit Center 5121 is at 2.588644 1.935564 -3.825692 ESP Fit Center 5122 is at 2.215839 2.150803 -3.825692 ESP Fit Center 5123 is at 1.803445 2.274266 -3.825692 ESP Fit Center 5124 is at 1.373695 2.299296 -3.825692 ESP Fit Center 5125 is at 0.949757 2.224544 -3.825692 ESP Fit Center 5126 is at 0.554485 2.054041 -3.825692 ESP Fit Center 5127 is at 0.209189 1.796977 -3.825692 ESP Fit Center 5128 is at -0.067518 1.467211 -3.825692 ESP Fit Center 5129 is at -0.260716 1.082522 -3.825692 ESP Fit Center 5130 is at -0.359991 0.663648 -3.825692 ESP Fit Center 5131 is at -0.359991 0.233169 -3.825692 ESP Fit Center 5132 is at -0.260716 -0.185705 -3.825692 ESP Fit Center 5133 is at 1.803445 -1.377449 -3.825692 ESP Fit Center 5134 is at 2.215839 -1.253986 -3.825692 ESP Fit Center 5135 is at 2.588644 -1.038747 -3.825692 ESP Fit Center 5136 is at 2.901762 -0.743335 -3.825692 ESP Fit Center 5137 is at 3.138314 -0.383676 -3.825692 ESP Fit Center 5138 is at 3.285546 0.020841 -3.825692 ESP Fit Center 5139 is at 3.029313 0.448408 -4.107577 ESP Fit Center 5140 is at 2.971916 0.866004 -4.107577 ESP Fit Center 5141 is at 2.803981 1.252629 -4.107577 ESP Fit Center 5142 is at 2.537964 1.579608 -4.107577 ESP Fit Center 5143 is at 2.193593 1.822691 -4.107577 ESP Fit Center 5144 is at 1.796410 1.963851 -4.107577 ESP Fit Center 5145 is at 1.375870 1.992616 -4.107577 ESP Fit Center 5146 is at 0.963165 1.906855 -4.107577 ESP Fit Center 5147 is at 0.588902 1.712928 -4.107577 ESP Fit Center 5148 is at 0.280839 1.425217 -4.107577 ESP Fit Center 5149 is at 0.061823 1.065060 -4.107577 ESP Fit Center 5150 is at -0.051902 0.659169 -4.107577 ESP Fit Center 5151 is at 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-4.335216 ESP Fit Center 5170 is at 0.354442 0.858623 -4.335216 ESP Fit Center 5171 is at 0.282110 0.448408 -4.335216 ESP Fit Center 5172 is at 0.354442 0.038194 -4.335216 ESP Fit Center 5173 is at 0.562713 -0.322543 -4.335216 ESP Fit Center 5174 is at 0.881803 -0.590291 -4.335216 ESP Fit Center 5175 is at 1.273226 -0.732758 -4.335216 ESP Fit Center 5176 is at 1.689769 -0.732758 -4.335216 ESP Fit Center 5177 is at 2.081191 -0.590291 -4.335216 ESP Fit Center 5178 is at 2.400281 -0.322543 -4.335216 ESP Fit Center 5179 is at 2.608553 0.038194 -4.335216 ESP Fit Center 5180 is at 2.299740 0.448408 -4.502402 ESP Fit Center 5181 is at 2.190116 0.857530 -4.502402 ESP Fit Center 5182 is at 1.890618 1.157027 -4.502402 ESP Fit Center 5183 is at 1.481497 1.266651 -4.502402 ESP Fit Center 5184 is at 1.072376 1.157027 -4.502402 ESP Fit Center 5185 is at 0.772878 0.857530 -4.502402 ESP Fit Center 5186 is at 0.663254 0.448408 -4.502402 ESP Fit Center 5187 is at 0.772878 0.039287 -4.502402 ESP Fit Center 5188 is at 1.072376 -0.260210 -4.502402 ESP Fit Center 5189 is at 1.481497 -0.369834 -4.502402 ESP Fit Center 5190 is at 1.890618 -0.260210 -4.502402 ESP Fit Center 5191 is at 2.190116 0.039287 -4.502402 ESP Fit Center 5192 is at 1.896276 0.448408 -4.604573 ESP Fit Center 5193 is at 1.688886 0.807617 -4.604573 ESP Fit Center 5194 is at 1.274108 0.807617 -4.604573 ESP Fit Center 5195 is at 1.066719 0.448408 -4.604573 ESP Fit Center 5196 is at 1.274108 0.089200 -4.604573 ESP Fit Center 5197 is at 1.688886 0.089200 -4.604573 ESP Fit Center 5198 is at 1.481497 0.448408 -4.638942 ESP Fit Center 5199 is at -0.805869 0.024602 2.106218 ESP Fit Center 5200 is at -1.757896 0.818112 -2.744886 ESP Fit Center 5201 is at -1.916440 0.435353 -2.744886 ESP Fit Center 5202 is at -1.322494 0.812515 -2.966258 ESP Fit Center 5203 is at -1.535347 0.443842 -2.966258 ESP Fit Center 5204 is at -1.609270 0.024602 -2.966258 ESP Fit Center 5205 is at 0.541226 -2.816879 1.059092 ESP Fit Center 5206 is at 0.932648 -2.959345 1.059092 ESP Fit Center 5207 is at 0.248325 -3.042698 0.831452 ESP Fit Center 5208 is at 0.622588 -3.236626 0.831452 ESP Fit Center 5209 is at 1.035293 -3.322387 0.831452 ESP Fit Center 5210 is at 1.455832 -3.293621 0.831452 ESP Fit Center 5211 is at 1.853016 -3.152462 0.831452 ESP Fit Center 5212 is at 0.609180 -3.554315 0.549568 ESP Fit Center 5213 is at 1.033118 -3.629067 0.549568 ESP Fit Center 5214 is at 1.462868 -3.604037 0.549568 ESP Fit Center 5215 is at 1.875261 -3.480574 0.549568 ESP Fit Center 5216 is at 0.211838 -3.672241 0.221127 ESP Fit Center 5217 is at 0.612128 -3.820492 0.221127 ESP Fit Center 5218 is at 1.034067 -3.885131 0.221127 ESP Fit Center 5219 is at 1.460381 -3.863511 0.221127 ESP Fit Center 5220 is at 1.873616 -3.756517 0.221127 ESP Fit Center 5221 is at 2.256854 -3.568530 0.221127 ESP Fit Center 5222 is at 0.509374 -3.997831 -0.144910 ESP Fit Center 5223 is at 0.927988 -4.076084 -0.144910 ESP Fit Center 5224 is at 1.353852 -4.076084 -0.144910 ESP Fit Center 5225 is at 1.772465 -3.997831 -0.144910 ESP Fit Center 5226 is at 2.169572 -3.843991 -0.144910 ESP Fit Center 5227 is at 2.531649 -3.619803 -0.144910 ESP Fit Center 5228 is at 0.305403 -4.073744 -0.538559 ESP Fit Center 5229 is at 0.716717 -4.183955 -0.538559 ESP Fit Center 5230 is at 1.140920 -4.221068 -0.538559 ESP Fit Center 5231 is at 1.565123 -4.183955 -0.538559 ESP Fit Center 5232 is at 1.976437 -4.073744 -0.538559 ESP Fit Center 5233 is at 2.362364 -3.893783 -0.538559 ESP Fit Center 5234 is at 2.711178 -3.649541 -0.538559 ESP Fit Center 5235 is at 0.010281 -4.020667 -0.949082 ESP Fit Center 5236 is at 0.405527 -4.179490 -0.949082 ESP Fit Center 5237 is at 0.821928 -4.269231 -0.949082 ESP Fit Center 5238 is at 1.247506 -4.287309 -0.949082 ESP Fit Center 5239 is at 1.670018 -4.233205 -0.949082 ESP Fit Center 5240 is at 2.077309 -4.108473 -0.949082 ESP Fit Center 5241 is at 2.457661 -3.916703 -0.949082 ESP Fit Center 5242 is at 2.800134 -3.663412 -0.949082 ESP Fit Center 5243 is at 3.094873 -3.355886 -0.949082 ESP Fit Center 5244 is at 0.010281 -4.020667 -1.365282 ESP Fit Center 5245 is at 0.405527 -4.179490 -1.365282 ESP Fit Center 5246 is at 0.821928 -4.269231 -1.365282 ESP Fit Center 5247 is at 1.247506 -4.287309 -1.365282 ESP Fit Center 5248 is at 1.670018 -4.233205 -1.365282 ESP Fit Center 5249 is at 2.077309 -4.108473 -1.365282 ESP Fit Center 5250 is at 2.457661 -3.916703 -1.365282 ESP Fit Center 5251 is at 2.800134 -3.663412 -1.365282 ESP Fit Center 5252 is at 3.094873 -3.355886 -1.365282 ESP Fit Center 5253 is at 3.333401 -3.002973 -1.365282 ESP Fit Center 5254 is at -0.080525 -3.893783 -1.775805 ESP Fit Center 5255 is at 0.305403 -4.073744 -1.775805 ESP Fit Center 5256 is at 0.716717 -4.183955 -1.775805 ESP Fit Center 5257 is at 1.140920 -4.221068 -1.775805 ESP Fit Center 5258 is at 1.565123 -4.183955 -1.775805 ESP Fit Center 5259 is at 1.976437 -4.073744 -1.775805 ESP Fit Center 5260 is at 2.362364 -3.893783 -1.775805 ESP Fit Center 5261 is at 2.711178 -3.649541 -1.775805 ESP Fit Center 5262 is at 3.012281 -3.348438 -1.775805 ESP Fit Center 5263 is at 3.256523 -2.999624 -1.775805 ESP Fit Center 5264 is at 3.436484 -2.613696 -1.775805 ESP Fit Center 5265 is at 3.448669 -1.778179 -2.169454 ESP Fit Center 5266 is at -0.249810 -3.619803 -2.169454 ESP Fit Center 5267 is at 0.112268 -3.843991 -2.169454 ESP Fit Center 5268 is at 0.509374 -3.997831 -2.169454 ESP Fit Center 5269 is at 0.927988 -4.076084 -2.169454 ESP Fit Center 5270 is at 1.353852 -4.076084 -2.169454 ESP Fit Center 5271 is at 1.772465 -3.997831 -2.169454 ESP Fit Center 5272 is at 2.169572 -3.843991 -2.169454 ESP Fit Center 5273 is at 2.531649 -3.619803 -2.169454 ESP Fit Center 5274 is at 2.846367 -3.332900 -2.169454 ESP Fit Center 5275 is at 3.103007 -2.993052 -2.169454 ESP Fit Center 5276 is at 3.292831 -2.611834 -2.169454 ESP Fit Center 5277 is at 3.409375 -2.202227 -2.169454 ESP Fit Center 5278 is at 3.250579 -1.778179 -2.535491 ESP Fit Center 5279 is at -0.459802 -3.152353 -2.535491 ESP Fit Center 5280 is at -0.150415 -3.446447 -2.535491 ESP Fit Center 5281 is at 0.211838 -3.672241 -2.535491 ESP Fit Center 5282 is at 0.612128 -3.820492 -2.535491 ESP Fit Center 5283 is at 1.034067 -3.885131 -2.535491 ESP Fit Center 5284 is at 1.460381 -3.863511 -2.535491 ESP Fit Center 5285 is at 1.873616 -3.756517 -2.535491 ESP Fit Center 5286 is at 2.256854 -3.568530 -2.535491 ESP Fit Center 5287 is at 2.594405 -3.307245 -2.535491 ESP Fit Center 5288 is at 2.872451 -2.983361 -2.535491 ESP Fit Center 5289 is at 3.079608 -2.610136 -2.535491 ESP Fit Center 5290 is at 3.207394 -2.202851 -2.535491 ESP Fit Center 5291 is at 2.994944 -1.778179 -2.863932 ESP Fit Center 5292 is at -0.601293 -2.412293 -2.863932 ESP Fit Center 5293 is at -0.408095 -2.796982 -2.863932 ESP Fit Center 5294 is at -0.131389 -3.126748 -2.863932 ESP Fit Center 5295 is at 0.213908 -3.383811 -2.863932 ESP Fit Center 5296 is at 0.609180 -3.554315 -2.863932 ESP Fit Center 5297 is at 1.033118 -3.629067 -2.863932 ESP Fit Center 5298 is at 1.462868 -3.604037 -2.863932 ESP Fit Center 5299 is at 1.875261 -3.480574 -2.863932 ESP Fit Center 5300 is at 2.248066 -3.265335 -2.863932 ESP Fit Center 5301 is at 2.561185 -2.969923 -2.863932 ESP Fit Center 5302 is at 2.797736 -2.610264 -2.863932 ESP Fit Center 5303 is at 2.944969 -2.205747 -2.863932 ESP Fit Center 5304 is at 2.688736 -1.778179 -3.145816 ESP Fit Center 5305 is at -0.278755 -2.394831 -3.145816 ESP Fit Center 5306 is at -0.059739 -2.754987 -3.145816 ESP Fit Center 5307 is at 0.248325 -3.042698 -3.145816 ESP Fit Center 5308 is at 0.622588 -3.236626 -3.145816 ESP Fit Center 5309 is at 1.035293 -3.322387 -3.145816 ESP Fit Center 5310 is at 1.455832 -3.293621 -3.145816 ESP Fit Center 5311 is at 1.853016 -3.152462 -3.145816 ESP Fit Center 5312 is at 2.197386 -2.909379 -3.145816 ESP Fit Center 5313 is at 2.463404 -2.582400 -3.145816 ESP Fit Center 5314 is at 2.631339 -2.195775 -3.145816 ESP Fit Center 5315 is at 2.340307 -1.778179 -3.373456 ESP Fit Center 5316 is at 0.013864 -2.188394 -3.373456 ESP Fit Center 5317 is at 0.222136 -2.549131 -3.373456 ESP Fit Center 5318 is at 0.541226 -2.816879 -3.373456 ESP Fit Center 5319 is at 0.932648 -2.959345 -3.373456 ESP Fit Center 5320 is at 1.349191 -2.959345 -3.373456 ESP Fit Center 5321 is at 1.740614 -2.816879 -3.373456 ESP Fit Center 5322 is at 2.059704 -2.549131 -3.373456 ESP Fit Center 5323 is at 2.267975 -2.188394 -3.373456 ESP Fit Center 5324 is at 1.959162 -1.778179 -3.540641 ESP Fit Center 5325 is at 0.432301 -2.187301 -3.540641 ESP Fit Center 5326 is at 0.731798 -2.486798 -3.540641 ESP Fit Center 5327 is at 1.140920 -2.596422 -3.540641 ESP Fit Center 5328 is at 1.550041 -2.486798 -3.540641 ESP Fit Center 5329 is at 1.849539 -2.187301 -3.540641 ESP Fit Center 5330 is at 1.555698 -1.778179 -3.642812 ESP Fit Center 5331 is at 0.933531 -2.137388 -3.642812 ESP Fit Center 5332 is at 1.348309 -2.137388 -3.642812 ESP Fit Center 5333 is at -0.470575 1.701609 2.370035 ESP Fit Center 5334 is at -0.264589 2.058388 2.271129 ESP Fit Center 5335 is at -0.068875 2.397375 2.108994 ESP Fit Center 5336 is at -0.894615 0.128671 2.108994 ESP Fit Center 5337 is at 0.111748 2.710223 1.887622 ESP Fit Center 5338 is at -0.271011 2.868767 1.887622 ESP Fit Center 5339 is at 0.508598 2.828486 1.612464 ESP Fit Center 5340 is at 0.146604 3.055942 1.612464 ESP Fit Center 5341 is at -0.256927 3.197144 1.612464 ESP Fit Center 5342 is at -0.166783 3.458595 1.290296 ESP Fit Center 5343 is at -0.893813 3.894905 -1.131070 ESP Fit Center 5344 is at -0.681762 3.741540 -1.522498 ESP Fit Center 5345 is at -1.099510 3.704992 -1.522498 ESP Fit Center 5346 is at -0.577826 3.517695 -1.883744 ESP Fit Center 5347 is at -0.992627 3.497935 -1.883744 ESP Fit Center 5348 is at -0.256927 3.197144 -2.205912 ESP Fit Center 5349 is at -0.681762 3.245011 -2.205912 ESP Fit Center 5350 is at -1.106596 3.197144 -2.205912 ESP Fit Center 5351 is at 0.111748 2.710223 -2.481070 ESP Fit Center 5352 is at -0.271011 2.868767 -2.481070 ESP Fit Center 5353 is at -0.681762 2.922843 -2.481070 ESP Fit Center 5354 is at -1.092513 2.868767 -2.481070 ESP Fit Center 5355 is at -1.475272 2.710223 -2.481070 ESP Fit Center 5356 is at -0.068875 2.397375 -2.702441 ESP Fit Center 5357 is at -0.468908 2.542975 -2.702441 ESP Fit Center 5358 is at -0.894615 2.542975 -2.702441 ESP Fit Center 5359 is at -1.294649 2.397375 -2.702441 ESP Fit Center 5360 is at -1.620759 2.123735 -2.702441 ESP Fit Center 5361 is at -1.833613 1.755062 -2.702441 ESP Fit Center 5362 is at -1.907536 1.335823 -2.702441 ESP Fit Center 5363 is at -1.833613 0.916583 -2.702441 ESP Fit Center 5364 is at -0.681762 2.170169 -2.864576 ESP Fit Center 5365 is at -1.098935 2.058388 -2.864576 ESP Fit Center 5366 is at -1.404327 1.752996 -2.864576 ESP Fit Center 5367 is at -1.516108 1.335823 -2.864576 ESP Fit Center 5368 is at -0.892948 1.701609 -2.963482 ESP Fit Center 5369 is at -1.104135 1.335823 -2.963482 ESP Fit Center 5370 is at -1.921371 1.636636 2.748278 ESP Fit Center 5371 is at -1.498998 1.636636 2.715037 ESP Fit Center 5372 is at -1.710185 2.002422 2.715037 ESP Fit Center 5373 is at -2.132558 2.002422 2.715037 ESP Fit Center 5374 is at -2.132558 1.270850 2.715037 ESP Fit Center 5375 is at -1.710185 1.270850 2.715037 ESP Fit Center 5376 is at -1.087025 1.636636 2.616131 ESP Fit Center 5377 is at -1.198807 2.053809 2.616131 ESP Fit Center 5378 is at -1.504198 2.359201 2.616131 ESP Fit Center 5379 is at -1.921371 2.470982 2.616131 ESP Fit Center 5380 is at -1.504198 0.914072 2.616131 ESP Fit Center 5381 is at -1.198807 1.219463 2.616131 ESP Fit Center 5382 is at -0.695597 1.636636 2.453996 ESP Fit Center 5383 is at -0.769520 2.055876 2.453996 ESP Fit Center 5384 is at -0.982374 2.424549 2.453996 ESP Fit Center 5385 is at -1.308484 2.698188 2.453996 ESP Fit Center 5386 is at -1.708518 2.843788 2.453996 ESP Fit Center 5387 is at -1.308484 0.575085 2.453996 ESP Fit Center 5388 is at -0.982374 0.848724 2.453996 ESP Fit Center 5389 is at -0.769520 1.217397 2.453996 ESP Fit Center 5390 is at -0.546971 2.430146 2.232624 ESP Fit Center 5391 is at -0.799179 2.758829 2.232624 ESP Fit Center 5392 is at -1.127861 3.011036 2.232624 ESP Fit Center 5393 is at -1.127861 0.262236 2.232624 ESP Fit Center 5394 is at -0.428708 2.826996 1.957467 ESP Fit Center 5395 is at -0.731012 3.129300 1.957467 ESP Fit Center 5396 is at -0.654326 3.415952 1.635299 ESP Fit Center 5397 is at -1.098567 3.897271 -1.177496 ESP Fit Center 5398 is at -1.406392 3.759409 -1.538742 ESP Fit Center 5399 is at -1.817436 3.818508 -1.538742 ESP Fit Center 5400 is at -1.496537 3.497957 -1.860910 ESP Fit Center 5401 is at -1.921371 3.545825 -1.860910 ESP Fit Center 5402 is at -2.346206 3.497957 -1.860910 ESP Fit Center 5403 is at -2.749737 3.356755 -1.860910 ESP Fit Center 5404 is at -1.510620 3.169580 -2.136068 ESP Fit Center 5405 is at -1.921371 3.223656 -2.136068 ESP Fit Center 5406 is at -2.332122 3.169580 -2.136068 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ESP Fit Center 5570 is at -0.655559 4.144462 0.672423 ESP Fit Center 5571 is at -0.976589 4.407924 0.672423 ESP Fit Center 5572 is at -1.342849 4.603694 0.672423 ESP Fit Center 5573 is at -1.740264 4.724248 0.672423 ESP Fit Center 5574 is at -2.153562 4.764955 0.672423 ESP Fit Center 5575 is at -2.566860 4.724248 0.672423 ESP Fit Center 5576 is at -2.964276 4.603694 0.672423 ESP Fit Center 5577 is at -0.590297 4.137029 0.251028 ESP Fit Center 5578 is at -0.900639 4.405943 0.251028 ESP Fit Center 5579 is at -1.256266 4.611264 0.251028 ESP Fit Center 5580 is at -1.644323 4.745572 0.251028 ESP Fit Center 5581 is at -2.050785 4.804012 0.251028 ESP Fit Center 5582 is at -2.460962 4.784473 0.251028 ESP Fit Center 5583 is at -2.860029 4.687660 0.251028 ESP Fit Center 5584 is at -0.655559 4.144462 -0.170368 ESP Fit Center 5585 is at -0.976589 4.407924 -0.170368 ESP Fit Center 5586 is at -1.342849 4.603694 -0.170368 ESP Fit Center 5587 is at -1.740264 4.724248 -0.170368 ESP Fit Center 5588 is 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ESP Fit Center 5661 is at -2.423809 -4.304484 0.110907 ESP Fit Center 5662 is at -2.043456 -4.112714 0.110907 ESP Fit Center 5663 is at -1.700984 -3.859423 0.110907 ESP Fit Center 5664 is at -3.679189 -4.465242 -0.305293 ESP Fit Center 5665 is at -3.253611 -4.483320 -0.305293 ESP Fit Center 5666 is at -2.831099 -4.429215 -0.305293 ESP Fit Center 5667 is at -2.423809 -4.304484 -0.305293 ESP Fit Center 5668 is at -2.043456 -4.112714 -0.305293 ESP Fit Center 5669 is at -3.784401 -4.379966 -0.715816 ESP Fit Center 5670 is at -3.360198 -4.417079 -0.715816 ESP Fit Center 5671 is at -2.935994 -4.379966 -0.715816 ESP Fit Center 5672 is at -2.524681 -4.269755 -0.715816 ESP Fit Center 5673 is at -2.138753 -4.089794 -0.715816 ESP Fit Center 5674 is at -3.991743 -4.193842 -1.109465 ESP Fit Center 5675 is at -3.573130 -4.272094 -1.109465 ESP Fit Center 5676 is at -3.147265 -4.272094 -1.109465 ESP Fit Center 5677 is at -2.728652 -4.193842 -1.109465 ESP Fit Center 5678 is at -2.331546 -4.040002 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Center 5787 is at -0.353508 4.153218 0.059598 ESP Fit Center 5788 is at 1.312713 3.834912 -0.361797 ESP Fit Center 5789 is at 0.957087 4.040233 -0.361797 ESP Fit Center 5790 is at 0.569029 4.174541 -0.361797 ESP Fit Center 5791 is at 0.162567 4.232982 -0.361797 ESP Fit Center 5792 is at -0.247610 4.213443 -0.361797 ESP Fit Center 5793 is at -0.646677 4.116630 -0.361797 ESP Fit Center 5794 is at 1.236764 3.836893 -0.783192 ESP Fit Center 5795 is at 0.870504 4.032664 -0.783192 ESP Fit Center 5796 is at 0.473088 4.153218 -0.783192 ESP Fit Center 5797 is at 0.059790 4.193924 -0.783192 ESP Fit Center 5798 is at -0.353508 4.153218 -0.783192 ESP Fit Center 5799 is at -0.750923 4.032664 -0.783192 ESP Fit Center 5800 is at 1.057580 3.803651 -1.188393 ESP Fit Center 5801 is at 0.676458 3.973337 -1.188393 ESP Fit Center 5802 is at 0.268385 4.060076 -1.188393 ESP Fit Center 5803 is at -0.148805 4.060076 -1.188393 ESP Fit Center 5804 is at -0.556878 3.973337 -1.188393 ESP Fit Center 5805 is at 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Center 5879 is at -6.321086 1.672217 -1.200072 ESP Fit Center 5880 is at -6.179884 1.268686 -1.200072 ESP Fit Center 5881 is at -5.952429 0.906692 -1.200072 ESP Fit Center 5882 is at -6.046785 2.097052 -1.475229 ESP Fit Center 5883 is at -5.992709 1.686301 -1.475229 ESP Fit Center 5884 is at -5.834165 1.303542 -1.475229 ESP Fit Center 5885 is at -5.611616 1.677812 -1.696601 ESP Fit Center 5886 is at -5.398763 1.309139 -1.696601 ESP Fit Center 5887 is at -5.182330 1.679879 -1.858736 ESP Fit Center 5888 is at -4.529302 -3.035540 2.694836 ESP Fit Center 5889 is at -5.864348 -2.950581 2.473465 ESP Fit Center 5890 is at -5.535665 -3.202788 2.473465 ESP Fit Center 5891 is at -5.152906 -3.361332 2.473465 ESP Fit Center 5892 is at -4.742155 -3.415409 2.473465 ESP Fit Center 5893 is at -4.331404 -3.361332 2.473465 ESP Fit Center 5894 is at -3.948645 -3.202788 2.473465 ESP Fit Center 5895 is at -3.619962 -2.950581 2.473465 ESP Fit Center 5896 is at -3.367755 -2.621898 2.473465 ESP Fit Center 5897 is at -6.603476 -2.253223 2.198307 ESP Fit Center 5898 is at -6.462274 -2.656754 2.198307 ESP Fit Center 5899 is at -6.234819 -3.018748 2.198307 ESP Fit Center 5900 is at -4.742155 -3.737577 2.198307 ESP Fit Center 5901 is at -4.317321 -3.689709 2.198307 ESP Fit Center 5902 is at -3.913789 -3.548508 2.198307 ESP Fit Center 5903 is at -3.551796 -3.321052 2.198307 ESP Fit Center 5904 is at -3.249492 -3.018748 2.198307 ESP Fit Center 5905 is at -6.916610 -1.620753 1.876139 ESP Fit Center 5906 is at -6.916610 -2.036024 1.876139 ESP Fit Center 5907 is at -6.838020 -2.443790 1.876139 ESP Fit Center 5908 is at -4.227176 -3.951161 1.876139 ESP Fit Center 5909 is at -3.834745 -3.815339 1.876139 ESP Fit Center 5910 is at -3.475110 -3.607704 1.876139 ESP Fit Center 5911 is at -6.825568 -0.625530 1.514893 ESP Fit Center 5912 is at -7.002790 -1.005584 1.514893 ESP Fit Center 5913 is at -7.111324 -1.410640 1.514893 ESP Fit Center 5914 is at -7.147873 -1.828388 1.514893 ESP Fit Center 5915 is at 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2.790311 2.745449 ESP Fit Center 5970 is at -6.660042 2.429381 2.745449 ESP Fit Center 5971 is at -6.732413 2.018946 2.745449 ESP Fit Center 5972 is at -6.660042 1.608511 2.745449 ESP Fit Center 5973 is at -6.451659 1.247580 2.745449 ESP Fit Center 5974 is at -6.132397 0.979688 2.745449 ESP Fit Center 5975 is at -5.740765 0.837145 2.745449 ESP Fit Center 5976 is at -6.043860 3.458109 2.476825 ESP Fit Center 5977 is at -6.413174 3.266745 2.476825 ESP Fit Center 5978 is at -6.717165 2.982838 2.476825 ESP Fit Center 5979 is at -6.933285 2.627444 2.476825 ESP Fit Center 5980 is at -7.045506 2.226920 2.476825 ESP Fit Center 5981 is at -7.045506 1.810972 2.476825 ESP Fit Center 5982 is at -6.933285 1.410448 2.476825 ESP Fit Center 5983 is at -6.717165 1.055053 2.476825 ESP Fit Center 5984 is at -6.413174 0.771146 2.476825 ESP Fit Center 5985 is at -6.043860 0.579783 2.476825 ESP Fit Center 5986 is at -6.047473 3.739470 2.149506 ESP Fit Center 5987 is at -6.430369 3.574305 2.149506 ESP Fit Center 5988 is at -6.764854 3.325290 2.149506 ESP Fit Center 5989 is at -7.032896 3.005850 2.149506 ESP Fit Center 5990 is at -7.220045 2.633205 2.149506 ESP Fit Center 5991 is at -7.316212 2.227446 2.149506 ESP Fit Center 5992 is at -7.316212 1.810446 2.149506 ESP Fit Center 5993 is at -7.220045 1.404686 2.149506 ESP Fit Center 5994 is at -7.032896 1.032042 2.149506 ESP Fit Center 5995 is at -6.764854 0.712601 2.149506 ESP Fit Center 5996 is at -6.430369 0.463586 2.149506 ESP Fit Center 5997 is at -6.047473 0.298421 2.149506 ESP Fit Center 5998 is at -6.149049 3.916855 1.776071 ESP Fit Center 5999 is at -6.530171 3.747169 1.776071 ESP Fit Center 6000 is at -6.867685 3.501951 1.776071 ESP Fit Center 6001 is at -7.146839 3.191918 1.776071 ESP Fit Center 6002 is at -7.355434 2.830621 1.776071 ESP Fit Center 6003 is at -7.484353 2.433850 1.776071 ESP Fit Center 6004 is at -7.527961 2.018946 1.776071 ESP Fit Center 6005 is at -7.484353 1.604042 1.776071 ESP Fit Center 6006 is at -7.355434 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3.876761 -1.686954 ESP Fit Center 6117 is at -3.629573 4.116630 -1.686954 ESP Fit Center 6118 is at -4.021505 4.255923 -1.686954 ESP Fit Center 6119 is at -4.436484 4.284308 -1.686954 ESP Fit Center 6120 is at -4.843732 4.199681 -1.686954 ESP Fit Center 6121 is at -5.213047 4.008318 -1.686954 ESP Fit Center 6122 is at -5.517037 3.724411 -1.686954 ESP Fit Center 6123 is at -5.733157 3.369016 -1.686954 ESP Fit Center 6124 is at -5.845379 2.968492 -1.686954 ESP Fit Center 6125 is at -5.845379 2.552544 -1.686954 ESP Fit Center 6126 is at -5.733157 2.152020 -1.686954 ESP Fit Center 6127 is at -3.204593 3.170953 -1.955578 ESP Fit Center 6128 is at -3.412976 3.531884 -1.955578 ESP Fit Center 6129 is at -3.732238 3.799776 -1.955578 ESP Fit Center 6130 is at -4.123871 3.942319 -1.955578 ESP Fit Center 6131 is at -4.540637 3.942319 -1.955578 ESP Fit Center 6132 is at -4.932270 3.799776 -1.955578 ESP Fit Center 6133 is at -5.251531 3.531884 -1.955578 ESP Fit Center 6134 is at -5.459915 3.170953 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ESP Fit Center 6153 is at -4.121556 3.125457 -2.278100 ESP Fit Center 6154 is at -4.542951 3.125457 -2.278100 ESP Fit Center 6155 is at -4.753649 2.760518 -2.278100 ESP Fit Center 6156 is at -4.542951 2.395579 -2.278100 ESP Fit Center 6157 is at -4.121556 2.395579 -2.278100 ESP Fit Center 6158 is at -4.332254 2.760518 -2.319603 ESP Fit Center 6159 is at -3.925376 2.514420 3.737597 ESP Fit Center 6160 is at -3.503981 2.514420 3.696093 ESP Fit Center 6161 is at -3.714679 2.879359 3.696093 ESP Fit Center 6162 is at -4.136074 2.879359 3.696093 ESP Fit Center 6163 is at -4.346771 2.514420 3.696093 ESP Fit Center 6164 is at -4.136074 2.149481 3.696093 ESP Fit Center 6165 is at -3.714679 2.149481 3.696093 ESP Fit Center 6166 is at -3.098780 2.514420 3.573177 ESP Fit Center 6167 is at -3.209523 2.927718 3.573177 ESP Fit Center 6168 is at -3.512078 3.230273 3.573177 ESP Fit Center 6169 is at -3.925376 3.341016 3.573177 ESP Fit Center 6170 is at -4.338674 3.230273 3.573177 ESP Fit Center 6171 is 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3.373571 ESP Fit Center 6190 is at -4.525392 1.475162 3.373571 ESP Fit Center 6191 is at -4.133760 1.332619 3.373571 ESP Fit Center 6192 is at -3.716993 1.332619 3.373571 ESP Fit Center 6193 is at -3.325360 1.475162 3.373571 ESP Fit Center 6194 is at -3.006099 1.743054 3.373571 ESP Fit Center 6195 is at -2.797715 2.103985 3.373571 ESP Fit Center 6196 is at -2.398026 2.514420 3.104948 ESP Fit Center 6197 is at -2.454664 2.926494 3.104948 ESP Fit Center 6198 is at -2.620378 3.308007 3.104948 ESP Fit Center 6199 is at -2.882878 3.630662 3.104948 ESP Fit Center 6200 is at -3.222696 3.870532 3.104948 ESP Fit Center 6201 is at -3.614628 4.009824 3.104948 ESP Fit Center 6202 is at -4.029606 4.038210 3.104948 ESP Fit Center 6203 is at -4.436855 3.953583 3.104948 ESP Fit Center 6204 is at -4.806169 3.762219 3.104948 ESP Fit Center 6205 is at -5.110159 3.478312 3.104948 ESP Fit Center 6206 is at -5.326280 3.122918 3.104948 ESP Fit Center 6207 is at -3.614628 1.019015 3.104948 ESP Fit Center 6208 is at -3.222696 1.158308 3.104948 ESP Fit Center 6209 is at -2.882878 1.398177 3.104948 ESP Fit Center 6210 is at -2.620378 1.720833 3.104948 ESP Fit Center 6211 is at -2.454664 2.102345 3.104948 ESP Fit Center 6212 is at -2.129402 2.514420 2.777629 ESP Fit Center 6213 is at -2.177813 2.928600 2.777629 ESP Fit Center 6214 is at -2.320435 3.320452 2.777629 ESP Fit Center 6215 is at -2.549580 3.668850 2.777629 ESP Fit Center 6216 is at -2.852895 3.955012 2.777629 ESP Fit Center 6217 is at -3.214027 4.163512 2.777629 ESP Fit Center 6218 is at -3.613509 4.283109 2.777629 ESP Fit Center 6219 is at -4.029803 4.307356 2.777629 ESP Fit Center 6220 is at -4.440467 4.234944 2.777629 ESP Fit Center 6221 is at -4.823363 4.069779 2.777629 ESP Fit Center 6222 is at -5.157849 3.820764 2.777629 ESP Fit Center 6223 is at -2.852895 1.073827 2.777629 ESP Fit Center 6224 is at -2.549580 1.359990 2.777629 ESP Fit Center 6225 is at -2.320435 1.708388 2.777629 ESP Fit Center 6226 is at -2.177813 2.100240 2.777629 ESP Fit Center 6227 is at -2.102323 3.326095 2.404193 ESP Fit Center 6228 is at -2.310918 3.687392 2.404193 ESP Fit Center 6229 is at -2.590073 3.997425 2.404193 ESP Fit Center 6230 is at -2.927586 4.242643 2.404193 ESP Fit Center 6231 is at -3.308708 4.412329 2.404193 ESP Fit Center 6232 is at -3.716781 4.499068 2.404193 ESP Fit Center 6233 is at -4.133971 4.499068 2.404193 ESP Fit Center 6234 is at -4.542044 4.412329 2.404193 ESP Fit Center 6235 is at -4.923166 4.242643 2.404193 ESP Fit Center 6236 is at -2.427373 4.012423 1.998992 ESP Fit Center 6237 is at -2.748403 4.275885 1.998992 ESP Fit Center 6238 is at -3.114663 4.471655 1.998992 ESP Fit Center 6239 is at -3.512078 4.592210 1.998992 ESP Fit Center 6240 is at -3.925376 4.632916 1.998992 ESP Fit Center 6241 is at -4.338674 4.592210 1.998992 ESP Fit Center 6242 is at -4.736090 4.471655 1.998992 ESP Fit Center 6243 is at -2.672453 4.273904 1.577597 ESP Fit Center 6244 is at -3.028080 4.479225 1.577597 ESP Fit Center 6245 is at -3.416137 4.613533 1.577597 ESP Fit Center 6246 is at -3.822599 4.671973 1.577597 ESP Fit Center 6247 is at -4.232776 4.652434 1.577597 ESP Fit Center 6248 is at -3.114663 4.471655 1.156202 ESP Fit Center 6249 is at -3.512078 4.592210 1.156202 ESP Fit Center 6250 is at -5.950246 -3.227749 2.272369 ESP Fit Center 6251 is at -5.647691 -3.530305 2.272369 ESP Fit Center 6252 is at -5.234393 -3.641047 2.272369 ESP Fit Center 6253 is at -6.362054 -3.224886 2.072764 ESP Fit Center 6254 is at -6.153670 -3.585817 2.072764 ESP Fit Center 6255 is at -5.834409 -3.853709 2.072764 ESP Fit Center 6256 is at -5.442776 -3.996252 2.072764 ESP Fit Center 6257 is at -5.026009 -3.996252 2.072764 ESP Fit Center 6258 is at -4.634377 -3.853709 2.072764 ESP Fit Center 6259 is at -6.747518 -3.022425 1.804140 ESP Fit Center 6260 is at -6.635296 -3.422949 1.804140 ESP Fit Center 6261 is at -6.419176 -3.778344 1.804140 ESP Fit Center 6262 is at -6.115186 -4.062251 1.804140 ESP Fit Center 6263 is at -5.745871 -4.253614 1.804140 ESP Fit Center 6264 is at -5.338623 -4.338241 1.804140 ESP Fit Center 6265 is at -4.923644 -4.309856 1.804140 ESP Fit Center 6266 is at -4.531712 -4.170563 1.804140 ESP Fit Center 6267 is at -7.018223 -3.022951 1.476821 ESP Fit Center 6268 is at -6.922057 -3.428711 1.476821 ESP Fit Center 6269 is at -6.734907 -3.801355 1.476821 ESP Fit Center 6270 is at -6.466865 -4.120796 1.476821 ESP Fit Center 6271 is at -6.132380 -4.369811 1.476821 ESP Fit Center 6272 is at -5.749484 -4.534976 1.476821 ESP Fit Center 6273 is at -5.338819 -4.607387 1.476821 ESP Fit Center 6274 is at -4.922525 -4.583141 1.476821 ESP Fit Center 6275 is at -4.523044 -4.463544 1.476821 ESP Fit Center 6276 is at -4.161911 -4.255044 1.476821 ESP Fit Center 6277 is at -7.229973 -2.814451 1.103386 ESP Fit Center 6278 is at -7.186364 -3.229356 1.103386 ESP Fit Center 6279 is at -7.057446 -3.626127 1.103386 ESP Fit Center 6280 is at -6.848851 -3.987424 1.103386 ESP Fit Center 6281 is at -6.569696 -4.297456 1.103386 ESP Fit Center 6282 is at -6.232183 -4.542674 1.103386 ESP Fit Center 6283 is at -5.851061 -4.712360 1.103386 ESP Fit Center 6284 is at -5.442988 -4.799099 1.103386 ESP Fit Center 6285 is at -5.025798 -4.799099 1.103386 ESP Fit Center 6286 is at -4.617725 -4.712360 1.103386 ESP Fit Center 6287 is at -4.236603 -4.542674 1.103386 ESP Fit Center 6288 is at -3.899089 -4.297456 1.103386 ESP Fit Center 6289 is at -7.352889 -2.814451 0.698185 ESP Fit Center 6290 is at -7.312183 -3.227749 0.698185 ESP Fit Center 6291 is at -7.191628 -3.625165 0.698185 ESP Fit Center 6292 is at -6.995858 -3.991425 0.698185 ESP Fit Center 6293 is at -6.732396 -4.312454 0.698185 ESP Fit Center 6294 is at -6.411366 -4.575916 0.698185 ESP Fit Center 6295 is at -6.045106 -4.771687 0.698185 ESP Fit Center 6296 is at -5.647691 -4.892241 0.698185 ESP Fit Center 6297 is at -5.234393 -4.932947 0.698185 ESP Fit Center 6298 is at -4.821095 -4.892241 0.698185 ESP Fit Center 6299 is at -4.423679 -4.771687 0.698185 ESP Fit Center 6300 is at -4.057419 -4.575916 0.698185 ESP Fit Center 6301 is at -7.384612 -2.609130 0.276790 ESP Fit Center 6302 is at -7.384612 -3.019772 0.276790 ESP Fit Center 6303 is at -7.306898 -3.422994 0.276790 ESP Fit Center 6304 is at -7.154277 -3.804221 0.276790 ESP Fit Center 6305 is at -6.932267 -4.149675 0.276790 ESP Fit Center 6306 is at -6.648892 -4.446870 0.276790 ESP Fit Center 6307 is at -6.314393 -4.685066 0.276790 ESP Fit Center 6308 is at -5.940860 -4.855653 0.276790 ESP Fit Center 6309 is at -5.541793 -4.952466 0.276790 ESP Fit Center 6310 is at -5.131616 -4.972005 0.276790 ESP Fit Center 6311 is at -4.725153 -4.913564 0.276790 ESP Fit Center 6312 is at -4.337096 -4.779256 0.276790 ESP Fit Center 6313 is at -3.981470 -4.573935 0.276790 ESP Fit Center 6314 is at -7.352889 -2.814451 -0.144605 ESP Fit Center 6315 is at -7.312183 -3.227749 -0.144605 ESP Fit Center 6316 is at -7.191628 -3.625165 -0.144605 ESP Fit Center 6317 is at -6.995858 -3.991425 -0.144605 ESP Fit Center 6318 is at -6.732396 -4.312454 -0.144605 ESP Fit Center 6319 is at -6.411366 -4.575916 -0.144605 ESP Fit Center 6320 is at -6.045106 -4.771687 -0.144605 ESP Fit Center 6321 is at -5.647691 -4.892241 -0.144605 ESP Fit Center 6322 is at -5.234393 -4.932947 -0.144605 ESP Fit Center 6323 is at -4.821095 -4.892241 -0.144605 ESP Fit Center 6324 is at -4.423679 -4.771687 -0.144605 ESP Fit Center 6325 is at -4.057419 -4.575916 -0.144605 ESP Fit Center 6326 is at -7.229973 -2.814451 -0.549807 ESP Fit Center 6327 is at -7.186364 -3.229356 -0.549807 ESP Fit Center 6328 is at -7.057446 -3.626127 -0.549807 ESP Fit Center 6329 is at -6.848851 -3.987424 -0.549807 ESP Fit Center 6330 is at -6.569696 -4.297456 -0.549807 ESP Fit Center 6331 is at -6.232183 -4.542674 -0.549807 ESP Fit Center 6332 is at -5.851061 -4.712360 -0.549807 ESP Fit Center 6333 is at -5.442988 -4.799099 -0.549807 ESP Fit Center 6334 is at -5.025798 -4.799099 -0.549807 ESP Fit Center 6335 is at -4.617725 -4.712360 -0.549807 ESP Fit Center 6336 is at -4.236603 -4.542674 -0.549807 ESP Fit Center 6337 is at -7.018223 -3.022951 -0.923242 ESP Fit Center 6338 is at -6.922057 -3.428711 -0.923242 ESP Fit Center 6339 is at -6.734907 -3.801355 -0.923242 ESP Fit Center 6340 is at -6.466865 -4.120796 -0.923242 ESP Fit Center 6341 is at -6.132380 -4.369811 -0.923242 ESP Fit Center 6342 is at -5.749484 -4.534976 -0.923242 ESP Fit Center 6343 is at -5.338819 -4.607387 -0.923242 ESP Fit Center 6344 is at -4.922525 -4.583141 -0.923242 ESP Fit Center 6345 is at -4.523044 -4.463544 -0.923242 ESP Fit Center 6346 is at -4.161911 -4.255044 -0.923242 ESP Fit Center 6347 is at -6.747518 -3.022425 -1.250561 ESP Fit Center 6348 is at -6.635296 -3.422949 -1.250561 ESP Fit Center 6349 is at -6.419176 -3.778344 -1.250561 ESP Fit Center 6350 is at -6.115186 -4.062251 -1.250561 ESP Fit Center 6351 is at -5.745871 -4.253614 -1.250561 ESP Fit Center 6352 is at -5.338623 -4.338241 -1.250561 ESP Fit Center 6353 is at -4.923644 -4.309856 -1.250561 ESP Fit Center 6354 is at -4.531712 -4.170563 -1.250561 ESP Fit Center 6355 is at -6.362054 -3.224886 -1.519185 ESP Fit Center 6356 is at -6.153670 -3.585817 -1.519185 ESP Fit Center 6357 is at -5.834409 -3.853709 -1.519185 ESP Fit Center 6358 is at -5.442776 -3.996252 -1.519185 ESP Fit Center 6359 is at -5.026009 -3.996252 -1.519185 ESP Fit Center 6360 is at -4.634377 -3.853709 -1.519185 ESP Fit Center 6361 is at -5.950246 -3.227749 -1.718790 ESP Fit Center 6362 is at -5.647691 -3.530305 -1.718790 ESP Fit Center 6363 is at -5.234393 -3.641047 -1.718790 ESP Fit Center 6364 is at -6.864689 0.019020 0.411558 ESP Fit Center 6365 is at -7.073283 -0.342277 0.411558 ESP Fit Center 6366 is at -6.748234 0.344051 0.006357 ESP Fit Center 6367 is at -7.011696 0.023021 0.006357 ESP Fit Center 6368 is at -7.207466 -0.343239 0.006357 ESP Fit Center 6369 is at -7.328020 -0.740654 0.006357 ESP Fit Center 6370 is at -7.368727 -1.153952 0.006357 ESP Fit Center 6371 is at -6.664730 0.478467 -0.415038 ESP Fit Center 6372 is at -6.948105 0.181271 -0.415038 ESP Fit Center 6373 is at -7.170115 -0.164183 -0.415038 ESP Fit Center 6374 is at -7.322735 -0.545410 -0.415038 ESP Fit Center 6375 is at -7.400450 -0.948631 -0.415038 ESP Fit Center 6376 is at -7.400450 -1.359273 -0.415038 ESP Fit Center 6377 is at -6.427204 0.607513 -0.836433 ESP Fit Center 6378 is at -6.748234 0.344051 -0.836433 ESP Fit Center 6379 is at -7.011696 0.023021 -0.836433 ESP Fit Center 6380 is at -7.207466 -0.343239 -0.836433 ESP Fit Center 6381 is at -7.328020 -0.740654 -0.836433 ESP Fit Center 6382 is at -7.368727 -1.153952 -0.836433 ESP Fit Center 6383 is at -7.328020 -1.567250 -0.836433 ESP Fit Center 6384 is at -7.207466 -1.964666 -0.836433 ESP Fit Center 6385 is at -5.866899 0.743957 -1.241634 ESP Fit Center 6386 is at -6.248020 0.574271 -1.241634 ESP Fit Center 6387 is at -6.585534 0.329053 -1.241634 ESP Fit Center 6388 is at -6.864689 0.019020 -1.241634 ESP Fit Center 6389 is at -7.073283 -0.342277 -1.241634 ESP Fit Center 6390 is at -7.202202 -0.739048 -1.241634 ESP Fit Center 6391 is at -7.245810 -1.153952 -1.241634 ESP Fit Center 6392 is at -7.202202 -1.568857 -1.241634 ESP Fit Center 6393 is at -7.073283 -1.965628 -1.241634 ESP Fit Center 6394 is at -5.765322 0.566572 -1.615069 ESP Fit Center 6395 is at -6.148218 0.401407 -1.615069 ESP Fit Center 6396 is at -6.482703 0.152392 -1.615069 ESP Fit Center 6397 is at -6.750745 -0.167048 -1.615069 ESP Fit Center 6398 is at -6.937894 -0.539693 -1.615069 ESP Fit Center 6399 is at -7.034061 -0.945452 -1.615069 ESP Fit Center 6400 is at -7.034061 -1.362452 -1.615069 ESP Fit Center 6401 is at -6.937894 -1.768212 -1.615069 ESP Fit Center 6402 is at -6.750745 -2.140856 -1.615069 ESP Fit Center 6403 is at -4.939482 0.341452 -1.942388 ESP Fit Center 6404 is at -5.354461 0.369838 -1.942388 ESP Fit Center 6405 is at -5.761709 0.285211 -1.942388 ESP Fit Center 6406 is at -6.131024 0.093847 -1.942388 ESP Fit Center 6407 is at -6.435014 -0.190060 -1.942388 ESP Fit Center 6408 is at -6.651134 -0.545454 -1.942388 ESP Fit Center 6409 is at -6.763355 -0.945978 -1.942388 ESP Fit Center 6410 is at -6.763355 -1.361926 -1.942388 ESP Fit Center 6411 is at -6.651134 -1.762450 -1.942388 ESP Fit Center 6412 is at -6.435014 -2.117845 -1.942388 ESP Fit Center 6413 is at -4.330953 -0.382587 -2.211012 ESP Fit Center 6414 is at -4.650215 -0.114694 -2.211012 ESP Fit Center 6415 is at -5.041847 0.027848 -2.211012 ESP Fit Center 6416 is at -5.458614 0.027848 -2.211012 ESP Fit Center 6417 is at -5.850246 -0.114694 -2.211012 ESP Fit Center 6418 is at -6.169508 -0.382587 -2.211012 ESP Fit Center 6419 is at -6.377891 -0.743517 -2.211012 ESP Fit Center 6420 is at -6.450262 -1.153952 -2.211012 ESP Fit Center 6421 is at -6.377891 -1.564387 -2.211012 ESP Fit Center 6422 is at -6.169508 -1.925318 -2.211012 ESP Fit Center 6423 is at -5.850246 -2.193210 -2.211012 ESP Fit Center 6424 is at -4.423634 -1.153952 -2.410618 ESP Fit Center 6425 is at -4.534377 -0.740654 -2.410618 ESP Fit Center 6426 is at -4.836932 -0.438099 -2.410618 ESP Fit Center 6427 is at -5.250231 -0.327356 -2.410618 ESP Fit Center 6428 is at -5.663529 -0.438099 -2.410618 ESP Fit Center 6429 is at -5.966084 -0.740654 -2.410618 ESP Fit Center 6430 is at -6.076827 -1.153952 -2.410618 ESP Fit Center 6431 is at -5.966084 -1.567250 -2.410618 ESP Fit Center 6432 is at -5.663529 -1.869806 -2.410618 ESP Fit Center 6433 is at -5.250231 -1.980548 -2.410618 ESP Fit Center 6434 is at -4.836932 -1.869806 -2.410618 ESP Fit Center 6435 is at -4.534377 -1.567250 -2.410618 ESP Fit Center 6436 is at -4.828835 -1.153952 -2.533534 ESP Fit Center 6437 is at -5.039533 -0.789013 -2.533534 ESP Fit Center 6438 is at -5.460928 -0.789013 -2.533534 ESP Fit Center 6439 is at -5.671626 -1.153952 -2.533534 ESP Fit Center 6440 is at -5.460928 -1.518891 -2.533534 ESP Fit Center 6441 is at -5.039533 -1.518891 -2.533534 ESP Fit Center 6442 is at -5.250231 -1.153952 -2.575038 ESP Fit Center 6443 is at -4.795791 -1.403928 3.462827 ESP Fit Center 6444 is at -4.374396 -1.403928 3.421324 ESP Fit Center 6445 is at -4.585094 -1.038989 3.421324 ESP Fit Center 6446 is at -5.006489 -1.038989 3.421324 ESP Fit Center 6447 is at -5.217186 -1.403928 3.421324 ESP Fit Center 6448 is at -5.006489 -1.768867 3.421324 ESP Fit Center 6449 is at -4.585094 -1.768867 3.421324 ESP Fit Center 6450 is at -3.969195 -1.403928 3.298407 ESP Fit Center 6451 is at -4.079938 -0.990630 3.298407 ESP Fit Center 6452 is at -4.382493 -0.688075 3.298407 ESP Fit Center 6453 is at -4.795791 -0.577332 3.298407 ESP Fit Center 6454 is at -5.209089 -0.688075 3.298407 ESP Fit Center 6455 is at -5.511645 -0.990630 3.298407 ESP Fit Center 6456 is at -5.622387 -1.403928 3.298407 ESP Fit Center 6457 is at -5.511645 -1.817226 3.298407 ESP Fit Center 6458 is at -5.209089 -2.119781 3.298407 ESP Fit Center 6459 is at -4.795791 -2.230524 3.298407 ESP Fit Center 6460 is at -4.382493 -2.119781 3.298407 ESP Fit Center 6461 is at -4.079938 -1.817226 3.298407 ESP Fit Center 6462 is at -3.595759 -1.403928 3.098802 ESP Fit Center 6463 is at -3.668130 -0.993493 3.098802 ESP Fit Center 6464 is at -3.876514 -0.632562 3.098802 ESP Fit Center 6465 is at -4.195775 -0.364670 3.098802 ESP Fit Center 6466 is at -4.587408 -0.222127 3.098802 ESP Fit Center 6467 is at -5.004175 -0.222127 3.098802 ESP Fit Center 6468 is at -5.395807 -0.364670 3.098802 ESP Fit Center 6469 is at -5.715069 -0.632562 3.098802 ESP Fit Center 6470 is at -5.923452 -0.993493 3.098802 ESP Fit Center 6471 is at -5.995823 -1.403928 3.098802 ESP Fit Center 6472 is at -5.923452 -1.814363 3.098802 ESP Fit Center 6473 is at -5.715069 -2.175293 3.098802 ESP Fit Center 6474 is at -5.395807 -2.443186 3.098802 ESP Fit Center 6475 is at -5.004175 -2.585728 3.098802 ESP Fit Center 6476 is at -4.587408 -2.585728 3.098802 ESP Fit Center 6477 is at -4.195775 -2.443186 3.098802 ESP Fit Center 6478 is at -3.876514 -2.175293 3.098802 ESP Fit Center 6479 is at -3.668130 -1.814363 3.098802 ESP Fit Center 6480 is at -3.268441 -1.403928 2.830178 ESP Fit Center 6481 is at -3.325079 -0.991854 2.830178 ESP Fit Center 6482 is at -3.490793 -0.610341 2.830178 ESP Fit Center 6483 is at -3.753293 -0.287685 2.830178 ESP Fit Center 6484 is at -4.093111 -0.047816 2.830178 ESP Fit Center 6485 is at -4.485043 0.091477 2.830178 ESP Fit Center 6486 is at -4.900021 0.119862 2.830178 ESP Fit Center 6487 is at -5.307270 0.035235 2.830178 ESP Fit Center 6488 is at -5.676584 -0.156128 2.830178 ESP Fit Center 6489 is at -5.980574 -0.440035 2.830178 ESP Fit Center 6490 is at -6.196694 -0.795430 2.830178 ESP Fit Center 6491 is at -6.308916 -1.195954 2.830178 ESP Fit Center 6492 is at -6.308916 -1.611902 2.830178 ESP Fit Center 6493 is at -6.196694 -2.012426 2.830178 ESP Fit Center 6494 is at -5.980574 -2.367821 2.830178 ESP Fit Center 6495 is at -5.676584 -2.651727 2.830178 ESP Fit Center 6496 is at -5.307270 -2.843091 2.830178 ESP Fit Center 6497 is at -4.900021 -2.927718 2.830178 ESP Fit Center 6498 is at -4.485043 -2.899333 2.830178 ESP Fit Center 6499 is at -4.093111 -2.760040 2.830178 ESP Fit Center 6500 is at -3.753293 -2.520171 2.830178 ESP Fit Center 6501 is at -3.490793 -2.197515 2.830178 ESP Fit Center 6502 is at -3.325079 -1.816002 2.830178 ESP Fit Center 6503 is at -2.999817 -1.403928 2.502859 ESP Fit Center 6504 is at -3.048228 -0.989748 2.502859 ESP Fit Center 6505 is at -5.693778 0.151431 2.502859 ESP Fit Center 6506 is at -6.028264 -0.097584 2.502859 ESP Fit Center 6507 is at -6.296306 -0.417024 2.502859 ESP Fit Center 6508 is at -6.483455 -0.789669 2.502859 ESP Fit Center 6509 is at -6.579622 -1.195428 2.502859 ESP Fit Center 6510 is at -6.579622 -1.612428 2.502859 ESP Fit Center 6511 is at -6.483455 -2.018187 2.502859 ESP Fit Center 6512 is at -6.296306 -2.390832 2.502859 ESP Fit Center 6513 is at -6.028264 -2.710272 2.502859 ESP Fit Center 6514 is at -3.190850 -2.209960 2.502859 ESP Fit Center 6515 is at -3.048228 -1.818108 2.502859 ESP Fit Center 6516 is at -6.131095 0.079077 2.129424 ESP Fit Center 6517 is at -6.410249 -0.230956 2.129424 ESP Fit Center 6518 is at -6.618844 -0.592253 2.129424 ESP Fit Center 6519 is at -6.747763 -0.989024 2.129424 ESP Fit Center 6520 is at -6.791371 -1.403928 2.129424 ESP Fit Center 6521 is at -6.747763 -1.818832 2.129424 ESP Fit Center 6522 is at -6.293794 0.094075 1.724223 ESP Fit Center 6523 is at -6.557256 -0.226955 1.724223 ESP Fit Center 6524 is at -6.753026 -0.593215 1.724223 ESP Fit Center 6525 is at -6.873581 -0.990630 1.724223 ESP Fit Center 6526 is at 5.918618 1.750787 0.864407 ESP Fit Center 6527 is at 5.883364 2.164993 0.864407 ESP Fit Center 6528 is at 3.156399 4.181845 0.864407 ESP Fit Center 6529 is at 6.131364 1.750787 0.514561 ESP Fit Center 6530 is at 6.098570 2.167474 0.514561 ESP Fit Center 6531 is at 3.051021 4.381649 0.514561 ESP Fit Center 6532 is at 2.644593 4.284074 0.514561 ESP Fit Center 6533 is at 2.258434 4.124121 0.514561 ESP Fit Center 6534 is at 6.098570 1.334099 0.514561 ESP Fit Center 6535 is at 6.294491 1.750787 0.139005 ESP Fit Center 6536 is at 6.264367 2.162370 0.139005 ESP Fit Center 6537 is at 2.954260 4.530548 0.139005 ESP Fit Center 6538 is at 2.554995 4.426167 0.139005 ESP Fit Center 6539 is at 2.175183 4.264764 0.139005 ESP Fit Center 6540 is at 1.822919 4.049780 0.139005 ESP Fit Center 6541 is at 6.174637 0.936393 0.139005 ESP Fit Center 6542 is at 6.264367 1.339204 0.139005 ESP Fit Center 6543 is at 6.404960 1.750787 -0.255266 ESP Fit Center 6544 is at 6.376375 2.159573 -0.255266 ESP Fit Center 6545 is at 2.757123 4.600790 -0.255266 ESP Fit Center 6546 is at 2.367394 4.474160 -0.255266 ESP Fit Center 6547 is at 1.999082 4.294522 -0.255266 ESP Fit Center 6548 is at 1.659355 4.065373 -0.255266 ESP Fit Center 6549 is at 6.291176 0.941170 -0.255266 ESP Fit Center 6550 is at 6.376375 1.342000 -0.255266 ESP Fit Center 6551 is at 6.460714 1.750787 -0.660907 ESP Fit Center 6552 is at 2.743634 4.654888 -0.660907 ESP Fit Center 6553 is at 2.346508 4.525854 -0.660907 ESP Fit Center 6554 is at 1.971205 4.342806 -0.660907 ESP Fit Center 6555 is at 1.625029 4.109308 -0.660907 ESP Fit Center 6556 is at 6.344770 0.925803 -0.660907 ESP Fit Center 6557 is at 6.431587 1.334241 -0.660907 ESP Fit Center 6558 is at 6.460714 1.750787 -1.070362 ESP Fit Center 6559 is at 2.743634 4.654888 -1.070362 ESP Fit Center 6560 is at 2.346508 4.525854 -1.070362 ESP Fit Center 6561 is at 1.971205 4.342806 -1.070362 ESP Fit Center 6562 is at 6.431587 1.334241 -1.070362 ESP Fit Center 6563 is at 6.404960 1.750787 -1.476002 ESP Fit Center 6564 is at 6.376375 2.159573 -1.476002 ESP Fit Center 6565 is at 2.757123 4.600790 -1.476002 ESP Fit Center 6566 is at 2.367394 4.474160 -1.476002 ESP Fit Center 6567 is at 1.999082 4.294522 -1.476002 ESP Fit Center 6568 is at 6.294491 1.750787 -1.870273 ESP Fit Center 6569 is at 6.264367 2.162370 -1.870273 ESP Fit Center 6570 is at 2.954260 4.530548 -1.870273 ESP Fit Center 6571 is at 2.554995 4.426167 -1.870273 ESP Fit Center 6572 is at 6.131364 1.750787 -2.245829 ESP Fit Center 6573 is at 6.098570 2.167474 -2.245829 ESP Fit Center 6574 is at 3.051021 4.381649 -2.245829 ESP Fit Center 6575 is at 2.644593 4.284074 -2.245829 ESP Fit Center 6576 is at 5.918618 1.750787 -2.595675 ESP Fit Center 6577 is at 5.883364 2.164993 -2.595675 ESP Fit Center 6578 is at 5.778616 2.567282 -2.595675 ESP Fit Center 6579 is at 3.571728 4.199488 -2.595675 ESP Fit Center 6580 is at 3.156399 4.181845 -2.595675 ESP Fit Center 6581 is at 2.750026 4.094265 -2.595675 ESP Fit Center 6582 is at 5.660216 1.750787 -2.913294 ESP Fit Center 6583 is at 5.620595 2.165722 -2.913294 ESP Fit Center 6584 is at 5.503162 2.565660 -2.913294 ESP Fit Center 6585 is at 5.312163 2.936146 -2.913294 ESP Fit Center 6586 is at 3.984611 3.881491 -2.913294 ESP Fit Center 6587 is at 3.572032 3.940811 -2.913294 ESP Fit Center 6588 is at 3.155682 3.920978 -2.913294 ESP Fit Center 6589 is at 5.360972 1.750787 -3.192768 ESP Fit Center 6590 is at 5.316709 2.157783 -3.192768 ESP Fit Center 6591 is at 5.185988 2.545748 -3.192768 ESP Fit Center 6592 is at 4.974922 2.896541 -3.192768 ESP Fit Center 6593 is at 4.693381 3.193761 -3.192768 ESP Fit Center 6594 is at 4.354529 3.423508 -3.192768 ESP Fit Center 6595 is at 3.974210 3.575041 -3.192768 ESP Fit Center 6596 is at 3.570207 3.641274 -3.192768 ESP Fit Center 6597 is at 3.161412 3.619110 -3.192768 ESP Fit Center 6598 is at 5.026460 1.750787 -3.428893 ESP Fit Center 6599 is at 4.968657 2.171333 -3.428893 ESP Fit Center 6600 is at 4.799536 2.560689 -3.428893 ESP Fit Center 6601 is at 4.531639 2.889979 -3.428893 ESP Fit Center 6602 is at 4.184835 3.134780 -3.428893 ESP Fit Center 6603 is at 3.784846 3.276936 -3.428893 ESP Fit Center 6604 is at 3.361335 3.305905 -3.428893 ESP Fit Center 6605 is at 4.662911 1.750787 -3.617268 ESP Fit Center 6606 is at 4.590832 2.159570 -3.617268 ESP Fit Center 6607 is at 4.383287 2.519049 -3.617268 ESP Fit Center 6608 is at 4.065310 2.785863 -3.617268 ESP Fit Center 6609 is at 3.675253 2.927832 -3.617268 ESP Fit Center 6610 is at 3.260163 2.927832 -3.617268 ESP Fit Center 6611 is at 4.590832 1.342003 -3.617268 ESP Fit Center 6612 is at 4.277098 1.750787 -3.754386 ESP Fit Center 6613 is at 4.168661 2.155482 -3.754386 ESP Fit Center 6614 is at 3.872403 2.451739 -3.754386 ESP Fit Center 6615 is at 3.467708 2.560177 -3.754386 ESP Fit Center 6616 is at 3.872403 1.049834 -3.754386 ESP Fit Center 6617 is at 4.168661 1.346092 -3.754386 ESP Fit Center 6618 is at 3.876208 1.750787 -3.837692 ESP Fit Center 6619 is at 3.671958 2.104558 -3.837692 ESP Fit Center 6620 is at 3.263458 2.104558 -3.837692 ESP Fit Center 6621 is at 3.671958 1.397016 -3.837692 ESP Fit Center 6622 is at 3.467708 1.750787 -3.865634 ESP Fit Center 6623 is at 5.222539 3.051707 1.239719 ESP Fit Center 6624 is at 5.014162 3.412628 1.239719 ESP Fit Center 6625 is at 4.694908 3.680513 1.239719 ESP Fit Center 6626 is at 4.303286 3.823052 1.239719 ESP Fit Center 6627 is at 5.580391 3.057496 0.999765 ESP Fit Center 6628 is at 5.413013 3.442840 0.999765 ESP Fit Center 6629 is at 5.147876 3.768736 0.999765 ESP Fit Center 6630 is at 4.804646 4.011015 0.999765 ESP Fit Center 6631 is at 4.408778 4.151706 0.999765 ESP Fit Center 6632 is at 3.989631 4.180377 0.999765 ESP Fit Center 6633 is at 5.933415 2.641283 0.703949 ESP Fit Center 6634 is at 5.883858 3.065272 0.703949 ESP Fit Center 6635 is at 5.737858 3.466403 0.703949 ESP Fit Center 6636 is at 5.503286 3.823052 0.703949 ESP Fit Center 6637 is at 5.192788 4.115992 0.703949 ESP Fit Center 6638 is at 4.823103 4.329429 0.703949 ESP Fit Center 6639 is at 4.414162 4.451858 0.703949 ESP Fit Center 6640 is at 3.988009 4.476679 0.703949 ESP Fit Center 6641 is at 3.567619 4.402553 0.703949 ESP Fit Center 6642 is at 6.173369 2.641283 0.361258 ESP Fit Center 6643 is at 6.130823 3.059674 0.361258 ESP Fit Center 6644 is at 6.004926 3.460936 0.361258 ESP Fit Center 6645 is at 5.800833 3.828641 0.361258 ESP Fit Center 6646 is at 5.526899 4.147736 0.361258 ESP Fit Center 6647 is at 5.194339 4.405157 0.361258 ESP Fit Center 6648 is at 4.816769 4.590364 0.361258 ESP Fit Center 6649 is at 4.409645 4.695776 0.361258 ESP Fit Center 6650 is at 3.989636 4.717076 0.361258 ESP Fit Center 6651 is at 3.573937 4.653393 0.361258 ESP Fit Center 6652 is at 3.179566 4.507334 0.361258 ESP Fit Center 6653 is at 6.350170 2.641283 -0.017893 ESP Fit Center 6654 is at 6.309415 3.068094 -0.017893 ESP Fit Center 6655 is at 6.188621 3.479479 -0.017893 ESP Fit Center 6656 is at 5.992156 3.860570 -0.017893 ESP Fit Center 6657 is at 5.727118 4.197592 -0.017893 ESP Fit Center 6658 is at 5.403089 4.478365 -0.017893 ESP Fit Center 6659 is at 5.031778 4.692741 -0.017893 ESP Fit Center 6660 is at 4.626606 4.832973 -0.017893 ESP Fit Center 6661 is at 4.202218 4.893991 -0.017893 ESP Fit Center 6662 is at 3.773951 4.873590 -0.017893 ESP Fit Center 6663 is at 3.357284 4.772507 -0.017893 ESP Fit Center 6664 is at 2.967277 4.594397 -0.017893 ESP Fit Center 6665 is at 6.309415 2.214472 -0.017893 ESP Fit Center 6666 is at 6.458447 2.641283 -0.421986 ESP Fit Center 6667 is at 6.420464 3.063309 -0.421986 ESP Fit Center 6668 is at 6.307735 3.471771 -0.421986 ESP Fit Center 6669 is at 6.123885 3.853540 -0.421986 ESP Fit Center 6670 is at 5.874822 4.196346 -0.421986 ESP Fit Center 6671 is at 5.568550 4.489172 -0.421986 ESP Fit Center 6672 is at 5.214915 4.722604 -0.421986 ESP Fit Center 6673 is at 4.825282 4.889142 -0.421986 ESP Fit Center 6674 is at 4.412174 4.983431 -0.421986 ESP Fit Center 6675 is at 3.988868 5.002441 -0.421986 ESP Fit Center 6676 is at 3.568971 4.945563 -0.421986 ESP Fit Center 6677 is at 3.165978 4.814622 -0.421986 ESP Fit Center 6678 is at 6.420464 2.219257 -0.421986 ESP Fit Center 6679 is at 6.494908 2.641283 -0.838742 ESP Fit Center 6680 is at 6.458447 3.058038 -0.838742 ESP Fit Center 6681 is at 6.350170 3.462131 -0.838742 ESP Fit Center 6682 is at 6.173369 3.841283 -0.838742 ESP Fit Center 6683 is at 5.933415 4.183973 -0.838742 ESP Fit Center 6684 is at 5.637598 4.479789 -0.838742 ESP Fit Center 6685 is at 5.294908 4.719744 -0.838742 ESP Fit Center 6686 is at 4.915757 4.896545 -0.838742 ESP Fit Center 6687 is at 4.511664 5.004821 -0.838742 ESP Fit Center 6688 is at 4.094908 5.041283 -0.838742 ESP Fit Center 6689 is at 3.678153 5.004821 -0.838742 ESP Fit Center 6690 is at 3.274060 4.896545 -0.838742 ESP Fit Center 6691 is at 2.894908 4.719744 -0.838742 ESP Fit Center 6692 is at 6.458447 2.224527 -0.838742 ESP Fit Center 6693 is at 6.458447 2.641283 -1.255497 ESP Fit Center 6694 is at 6.420464 3.063309 -1.255497 ESP Fit Center 6695 is at 6.307735 3.471771 -1.255497 ESP Fit Center 6696 is at 6.123885 3.853540 -1.255497 ESP Fit Center 6697 is at 5.874822 4.196346 -1.255497 ESP Fit Center 6698 is at 5.568550 4.489172 -1.255497 ESP Fit Center 6699 is at 5.214915 4.722604 -1.255497 ESP Fit Center 6700 is at 4.825282 4.889142 -1.255497 ESP Fit Center 6701 is at 4.412174 4.983431 -1.255497 ESP Fit Center 6702 is at 3.988868 5.002441 -1.255497 ESP Fit Center 6703 is at 3.568971 4.945563 -1.255497 ESP Fit Center 6704 is at 3.165978 4.814622 -1.255497 ESP Fit Center 6705 is at 6.420464 2.219257 -1.255497 ESP Fit Center 6706 is at 6.350170 2.641283 -1.659590 ESP Fit Center 6707 is at 6.309415 3.068094 -1.659590 ESP Fit Center 6708 is at 6.188621 3.479479 -1.659590 ESP Fit Center 6709 is at 5.992156 3.860570 -1.659590 ESP Fit Center 6710 is at 5.727118 4.197592 -1.659590 ESP Fit Center 6711 is at 5.403089 4.478365 -1.659590 ESP Fit Center 6712 is at 5.031778 4.692741 -1.659590 ESP Fit Center 6713 is at 4.626606 4.832973 -1.659590 ESP Fit Center 6714 is at 4.202218 4.893991 -1.659590 ESP Fit Center 6715 is at 3.773951 4.873590 -1.659590 ESP Fit Center 6716 is at 3.357284 4.772507 -1.659590 ESP Fit Center 6717 is at 6.173369 2.641283 -2.038742 ESP Fit Center 6718 is at 6.130823 3.059674 -2.038742 ESP Fit Center 6719 is at 6.004926 3.460936 -2.038742 ESP Fit Center 6720 is at 5.800833 3.828641 -2.038742 ESP Fit Center 6721 is at 5.526899 4.147736 -2.038742 ESP Fit Center 6722 is at 5.194339 4.405157 -2.038742 ESP Fit Center 6723 is at 4.816769 4.590364 -2.038742 ESP Fit Center 6724 is at 4.409645 4.695776 -2.038742 ESP Fit Center 6725 is at 3.989636 4.717076 -2.038742 ESP Fit Center 6726 is at 3.573937 4.653393 -2.038742 ESP Fit Center 6727 is at 3.179566 4.507334 -2.038742 ESP Fit Center 6728 is at 5.933415 2.641283 -2.381432 ESP Fit Center 6729 is at 5.883858 3.065272 -2.381432 ESP Fit Center 6730 is at 5.737858 3.466403 -2.381432 ESP Fit Center 6731 is at 5.503286 3.823052 -2.381432 ESP Fit Center 6732 is at 5.192788 4.115992 -2.381432 ESP Fit Center 6733 is at 4.823103 4.329429 -2.381432 ESP Fit Center 6734 is at 4.414162 4.451858 -2.381432 ESP Fit Center 6735 is at 3.988009 4.476679 -2.381432 ESP Fit Center 6736 is at 3.567619 4.402553 -2.381432 ESP Fit Center 6737 is at 5.580391 3.057496 -2.677248 ESP Fit Center 6738 is at 5.413013 3.442840 -2.677248 ESP Fit Center 6739 is at 5.147876 3.768736 -2.677248 ESP Fit Center 6740 is at 4.804646 4.011015 -2.677248 ESP Fit Center 6741 is at 4.408778 4.151706 -2.677248 ESP Fit Center 6742 is at 3.989631 4.180377 -2.677248 ESP Fit Center 6743 is at 5.014162 3.412628 -2.917203 ESP Fit Center 6744 is at 4.694908 3.680513 -2.917203 ESP Fit Center 6745 is at 4.303286 3.823052 -2.917203 ESP Fit Center 6746 is at 1.758741 4.205900 -1.465908 ESP Fit Center 6747 is at 1.379589 4.029099 -1.465908 ESP Fit Center 6748 is at 2.053652 4.254918 -1.882664 ESP Fit Center 6749 is at 1.650659 4.123977 -1.882664 ESP Fit Center 6750 is at 1.277523 3.923184 -1.882664 ESP Fit Center 6751 is at 2.258632 4.182945 -2.286757 ESP Fit Center 6752 is at 1.841965 4.081862 -2.286757 ESP Fit Center 6753 is at 1.451958 3.903752 -2.286757 ESP Fit Center 6754 is at 1.102706 3.655051 -2.286757 ESP Fit Center 6755 is at 0.806833 3.344748 -2.286757 ESP Fit Center 6756 is at 2.474317 4.026431 -2.665908 ESP Fit Center 6757 is at 2.058617 3.962748 -2.665908 ESP Fit Center 6758 is at 1.664247 3.816689 -2.665908 ESP Fit Center 6759 is at 1.307351 3.594234 -2.665908 ESP Fit Center 6760 is at 1.002540 3.304490 -2.665908 ESP Fit Center 6761 is at 2.472689 3.786034 -3.008599 ESP Fit Center 6762 is at 2.052299 3.711908 -3.008599 ESP Fit Center 6763 is at 1.660336 3.542831 -3.008599 ESP Fit Center 6764 is at 1.317929 3.287919 -3.008599 ESP Fit Center 6765 is at 2.893459 3.461061 -3.304415 ESP Fit Center 6766 is at 2.474312 3.489732 -3.304415 ESP Fit Center 6767 is at 2.062973 3.404255 -3.304415 ESP Fit Center 6768 is at 1.689950 3.210969 -3.304415 ESP Fit Center 6769 is at 2.787967 3.132407 -3.544369 ESP Fit Center 6770 is at 2.371211 3.132407 -3.544369 ESP Fit Center 6771 is at 1.979589 2.989868 -3.544369 ESP Fit Center 6772 is at 2.990013 2.661513 -3.721171 ESP Fit Center 6773 is at 2.579589 2.771486 -3.721171 ESP Fit Center 6774 is at 2.169165 2.661513 -3.721171 ESP Fit Center 6775 is at 2.787967 2.311559 -3.829447 ESP Fit Center 6776 is at 6.120690 0.088686 -0.487693 ESP Fit Center 6777 is at 6.241484 0.500071 -0.487693 ESP Fit Center 6778 is at 6.390515 0.926883 -0.891785 ESP Fit Center 6779 is at 6.055954 -0.285375 -0.891785 ESP Fit Center 6780 is at 6.239804 0.096395 -0.891785 ESP Fit Center 6781 is at 6.352532 0.504856 -0.891785 ESP Fit Center 6782 is at 6.426977 0.926883 -1.308541 ESP Fit Center 6783 is at 5.569667 -0.911624 -1.308541 ESP Fit Center 6784 is at 5.865483 -0.615808 -1.308541 ESP Fit Center 6785 is at 6.105438 -0.273117 -1.308541 ESP Fit Center 6786 is at 6.282239 0.106034 -1.308541 ESP Fit Center 6787 is at 6.390515 0.510127 -1.308541 ESP Fit Center 6788 is at 6.390515 0.926883 -1.725296 ESP Fit Center 6789 is at 6.352532 1.348909 -1.725296 ESP Fit Center 6790 is at 5.146984 -1.154439 -1.725296 ESP Fit Center 6791 is at 5.500619 -0.921006 -1.725296 ESP Fit Center 6792 is at 5.806890 -0.628181 -1.725296 ESP Fit Center 6793 is at 6.055954 -0.285375 -1.725296 ESP Fit Center 6794 is at 6.239804 0.096395 -1.725296 ESP Fit Center 6795 is at 6.352532 0.504856 -1.725296 ESP Fit Center 6796 is at 6.282239 0.926883 -2.129389 ESP Fit Center 6797 is at 6.241484 1.353694 -2.129389 ESP Fit Center 6798 is at 4.558675 -1.264807 -2.129389 ESP Fit Center 6799 is at 4.963847 -1.124576 -2.129389 ESP Fit Center 6800 is at 5.335157 -0.910200 -2.129389 ESP Fit Center 6801 is at 5.659187 -0.629427 -2.129389 ESP Fit Center 6802 is at 5.924224 -0.292404 -2.129389 ESP Fit Center 6803 is at 6.120690 0.088686 -2.129389 ESP Fit Center 6804 is at 6.241484 0.500071 -2.129389 ESP Fit Center 6805 is at 6.105438 0.926883 -2.508541 ESP Fit Center 6806 is at 6.062892 1.345274 -2.508541 ESP Fit Center 6807 is at 4.341714 -1.127610 -2.508541 ESP Fit Center 6808 is at 4.748837 -1.022199 -2.508541 ESP Fit Center 6809 is at 5.126408 -0.836991 -2.508541 ESP Fit Center 6810 is at 5.458968 -0.579571 -2.508541 ESP Fit Center 6811 is at 5.732902 -0.260476 -2.508541 ESP Fit Center 6812 is at 5.936995 0.107229 -2.508541 ESP Fit Center 6813 is at 6.062892 0.508491 -2.508541 ESP Fit Center 6814 is at 5.865483 0.926883 -2.851231 ESP Fit Center 6815 is at 5.815926 1.350871 -2.851231 ESP Fit Center 6816 is at 3.920077 -0.908514 -2.851231 ESP Fit Center 6817 is at 4.346230 -0.883693 -2.851231 ESP Fit Center 6818 is at 4.755172 -0.761264 -2.851231 ESP Fit Center 6819 is at 5.124857 -0.547826 -2.851231 ESP Fit Center 6820 is at 5.435355 -0.254887 -2.851231 ESP Fit Center 6821 is at 5.669926 0.101762 -2.851231 ESP Fit Center 6822 is at 5.815926 0.502894 -2.851231 ESP Fit Center 6823 is at 5.569667 0.926883 -3.147048 ESP Fit Center 6824 is at 5.512460 1.343095 -3.147048 ESP Fit Center 6825 is at 3.921700 -0.612211 -3.147048 ESP Fit Center 6826 is at 4.340846 -0.583541 -3.147048 ESP Fit Center 6827 is at 4.736715 -0.442849 -3.147048 ESP Fit Center 6828 is at 5.079945 -0.200571 -3.147048 ESP Fit Center 6829 is at 5.345081 0.125325 -3.147048 ESP Fit Center 6830 is at 5.512460 0.510670 -3.147048 ESP Fit Center 6831 is at 5.226977 0.926883 -3.387002 ESP Fit Center 6832 is at 5.154608 1.337307 -3.387002 ESP Fit Center 6833 is at 4.235355 -0.254887 -3.387002 ESP Fit Center 6834 is at 4.626977 -0.112348 -3.387002 ESP Fit Center 6835 is at 4.946230 0.155537 -3.387002 ESP Fit Center 6836 is at 5.154608 0.516458 -3.387002 ESP Fit Center 6837 is at 4.847825 0.926883 -3.563803 ESP Fit Center 6838 is at 4.737852 1.337307 -3.563803 ESP Fit Center 6839 is at 4.026977 0.106034 -3.563803 ESP Fit Center 6840 is at 4.437401 0.216007 -3.563803 ESP Fit Center 6841 is at 4.737852 0.516458 -3.563803 ESP Fit Center 6842 is at 4.443732 0.926883 -3.672079 ESP Fit Center 6843 is at 3.818599 0.565962 -3.672079 ESP Fit Center 6844 is at 4.235355 0.565962 -3.672079 ESP Fit Center 6845 is at 4.026977 0.926883 -3.708541 ESP Fit Center 6846 is at 4.017287 2.191593 2.952875 ESP Fit Center 6847 is at 3.694077 2.462798 2.952875 ESP Fit Center 6848 is at 3.297600 2.607104 2.952875 ESP Fit Center 6849 is at 4.610191 1.818921 2.743631 ESP Fit Center 6850 is at 4.452618 2.199334 2.743631 ESP Fit Center 6851 is at 4.201956 2.526003 2.743631 ESP Fit Center 6852 is at 3.875288 2.776665 2.743631 ESP Fit Center 6853 is at 3.494874 2.934237 2.743631 ESP Fit Center 6854 is at 3.086640 2.987982 2.743631 ESP Fit Center 6855 is at 4.946598 1.820094 2.482707 ESP Fit Center 6856 is at 4.815102 2.210358 2.482707 ESP Fit Center 6857 is at 4.602786 2.563231 2.482707 ESP Fit Center 6858 is at 4.319576 2.862211 2.482707 ESP Fit Center 6859 is at 3.978716 3.093321 2.482707 ESP Fit Center 6860 is at 3.596143 3.245751 2.482707 ESP Fit Center 6861 is at 3.189746 3.312377 2.482707 ESP Fit Center 6862 is at 2.778528 3.290081 2.482707 ESP Fit Center 6863 is at 2.381718 3.179907 2.482707 ESP Fit Center 6864 is at 5.118956 2.224303 2.175934 ESP Fit Center 6865 is at 4.928251 2.594218 2.175934 ESP Fit Center 6866 is at 4.670986 2.921358 2.175934 ESP Fit Center 6867 is at 4.356459 3.193897 2.175934 ESP Fit Center 6868 is at 3.996036 3.401987 2.175934 ESP Fit Center 6869 is at 3.602746 3.538106 2.175934 ESP Fit Center 6870 is at 3.190803 3.597335 2.175934 ESP Fit Center 6871 is at 2.775094 3.577532 2.175934 ESP Fit Center 6872 is at 2.370646 3.479414 2.175934 ESP Fit Center 6873 is at 5.372996 2.218507 1.830162 ESP Fit Center 6874 is at 5.203586 2.593284 1.830162 ESP Fit Center 6875 is at 4.973276 2.934039 1.830162 ESP Fit Center 6876 is at 4.688691 3.230970 1.830162 ESP Fit Center 6877 is at 4.358017 3.475535 1.830162 ESP Fit Center 6878 is at 3.990769 3.660698 1.830162 ESP Fit Center 6879 is at 3.597510 3.781132 1.830162 ESP Fit Center 6880 is at 3.189554 3.833372 1.830162 ESP Fit Center 6881 is at 2.778638 3.815917 1.830162 ESP Fit Center 6882 is at 2.376582 3.729267 1.830162 ESP Fit Center 6883 is at 1.994954 3.575916 1.830162 ESP Fit Center 6884 is at 5.660996 1.818424 1.453117 ESP Fit Center 6885 is at 5.565518 2.216123 1.453117 ESP Fit Center 6886 is at 5.409000 2.593988 1.453117 ESP Fit Center 6887 is at 5.195299 2.942717 1.453117 ESP Fit Center 6888 is at 4.929676 3.253722 1.453117 ESP Fit Center 6889 is at 4.618670 3.519346 1.453117 ESP Fit Center 6890 is at 4.269942 3.733047 1.453117 ESP Fit Center 6891 is at 3.892076 3.889564 1.453117 ESP Fit Center 6892 is at 3.494378 3.985043 1.453117 ESP Fit Center 6893 is at 3.086640 4.017133 1.453117 ESP Fit Center 6894 is at 2.678902 3.985043 1.453117 ESP Fit Center 6895 is at 2.281203 3.889564 1.453117 ESP Fit Center 6896 is at 1.903338 3.733047 1.453117 ESP Fit Center 6897 is at 5.784446 1.827388 1.053221 ESP Fit Center 6898 is at 3.606369 4.090552 1.053221 ESP Fit Center 6899 is at 3.191198 4.138481 1.053221 ESP Fit Center 6900 is at 2.773577 4.122473 1.053221 ESP Fit Center 6901 is at 2.363294 4.042904 1.053221 ESP Fit Center 6902 is at 1.969965 3.901637 1.053221 ESP Fit Center 6903 is at 1.602810 3.701984 1.053221 ESP Fit Center 6904 is at 2.066545 4.009845 0.639406 ESP Fit Center 6905 is at 1.690554 3.828777 0.639406 ESP Fit Center 6906 is at 3.937593 0.896713 3.653932 ESP Fit Center 6907 is at 4.116869 1.278961 3.403936 ESP Fit Center 6908 is at 3.873022 1.614587 3.403936 ESP Fit Center 6909 is at 3.573166 1.901279 3.403936 ESP Fit Center 6910 is at 3.226937 2.129823 3.403936 ESP Fit Center 6911 is at 2.845465 2.292872 3.403936 ESP Fit Center 6912 is at 4.248836 1.631236 3.116645 ESP Fit Center 6913 is at 3.981979 1.943685 3.116645 ESP Fit Center 6914 is at 3.669531 2.210541 3.116645 ESP Fit Center 6915 is at 3.319183 2.425234 3.116645 ESP Fit Center 6916 is at 2.939563 2.582478 3.116645 ESP Fit Center 6917 is at 2.540019 2.678400 3.116645 ESP Fit Center 6918 is at 2.130388 2.710639 3.116645 ESP Fit Center 6919 is at 2.541343 2.950345 2.795947 ESP Fit Center 6920 is at 2.130388 2.979737 2.795947 ESP Fit Center 6921 is at 1.719434 2.950345 2.795947 ESP Fit Center 6922 is at 1.316845 2.862767 2.795947 ESP Fit Center 6923 is at 0.930818 2.718787 2.795947 ESP Fit Center 6924 is at 0.930818 -2.534599 2.795947 ESP Fit Center 6925 is at 1.316845 -2.678580 2.795947 ESP Fit Center 6926 is at 2.026211 3.208044 2.446176 ESP Fit Center 6927 is at 1.611825 3.166356 2.446176 ESP Fit Center 6928 is at 1.206692 3.069808 2.446176 ESP Fit Center 6929 is at 0.818044 2.920123 2.446176 ESP Fit Center 6930 is at 0.452814 2.719972 2.446176 ESP Fit Center 6931 is at 0.117520 2.472926 2.446176 ESP Fit Center 6932 is at -0.652210 -1.314017 2.446176 ESP Fit Center 6933 is at -0.439966 -1.672355 2.446176 ESP Fit Center 6934 is at -0.181854 -1.999206 2.446176 ESP Fit Center 6935 is at 0.117520 -2.288738 2.446176 ESP Fit Center 6936 is at 0.452814 -2.535784 2.446176 ESP Fit Center 6937 is at 0.818044 -2.735936 2.446176 ESP Fit Center 6938 is at 1.206692 -2.885621 2.446176 ESP Fit Center 6939 is at 1.611825 -2.982169 2.446176 ESP Fit Center 6940 is at 1.922829 3.391149 2.072063 ESP Fit Center 6941 is at 1.510985 3.339121 2.072063 ESP Fit Center 6942 is at 1.108909 3.235885 2.072063 ESP Fit Center 6943 is at 0.722942 3.083070 2.072063 ESP Fit Center 6944 is at 0.359171 2.883085 2.072063 ESP Fit Center 6945 is at 0.023334 -2.454898 2.072063 ESP Fit Center 6946 is at 0.359171 -2.698898 2.072063 ESP Fit Center 6947 is at 0.722942 -2.898883 2.072063 ESP Fit Center 6948 is at 1.108909 -3.051698 2.072063 ESP Fit Center 6949 is at 1.510985 -3.154934 2.072063 ESP Fit Center 6950 is at 1.714686 3.515710 1.678667 ESP Fit Center 6951 is at 1.305046 3.440641 1.678667 ESP Fit Center 6952 is at 0.907440 3.316742 1.678667 ESP Fit Center 6953 is at 0.171268 -2.746182 1.678667 ESP Fit Center 6954 is at 0.527669 -2.961634 1.678667 ESP Fit Center 6955 is at 0.907440 -3.132555 1.678667 ESP Fit Center 6956 is at 1.305046 -3.256454 1.678667 ESP Fit Center 6957 is at 1.714686 -3.331523 1.678667 ESP Fit Center 6958 is at 1.514752 3.583540 1.271309 ESP Fit Center 6959 is at 1.113583 3.488461 1.271309 ESP Fit Center 6960 is at 0.357734 -2.978233 1.271309 ESP Fit Center 6961 is at 0.726164 -3.163265 1.271309 ESP Fit Center 6962 is at 1.113583 -3.304274 1.271309 ESP Fit Center 6963 is at 1.514752 -3.399353 1.271309 ESP Fit Center 6964 is at 1.924247 -3.447216 1.271309 ESP Fit Center 6965 is at 3.616557 -1.911653 -2.529584 ESP Fit Center 6966 is at 3.811155 -1.536096 -2.529584 ESP Fit Center 6967 is at 3.370912 -1.890748 -2.891279 ESP Fit Center 6968 is at 3.576721 -1.524036 -2.891279 ESP Fit Center 6969 is at 3.726943 -1.131266 -2.891279 ESP Fit Center 6970 is at -0.688244 -2.330713 -3.223982 ESP Fit Center 6971 is at 3.062999 -1.875230 -3.223982 ESP Fit Center 6972 is at 3.288336 -1.518888 -3.223982 ESP Fit Center 6973 is at -0.909042 1.062796 -3.522840 ESP Fit Center 6974 is at -1.122456 0.705601 -3.522840 ESP Fit Center 6975 is at -1.268661 0.316040 -3.522840 ESP Fit Center 6976 is at -1.342957 -0.093366 -3.522840 ESP Fit Center 6977 is at -1.342957 -0.509459 -3.522840 ESP Fit Center 6978 is at -1.268661 -0.918865 -3.522840 ESP Fit Center 6979 is at -1.122456 -1.308426 -3.522840 ESP Fit Center 6980 is at -0.909042 -1.665620 -3.522840 ESP Fit Center 6981 is at -0.635279 -1.978968 -3.522840 ESP Fit Center 6982 is at -0.309964 -2.238398 -3.522840 ESP Fit Center 6983 is at 2.716454 -1.828442 -3.522840 ESP Fit Center 6984 is at 2.961028 -1.491815 -3.522840 ESP Fit Center 6985 is at -0.847707 0.507272 -3.783496 ESP Fit Center 6986 is at -0.976150 0.111963 -3.783496 ESP Fit Center 6987 is at -1.019598 -0.301412 -3.783496 ESP Fit Center 6988 is at -0.976150 -0.714788 -3.783496 ESP Fit Center 6989 is at -0.847707 -1.110097 -3.783496 ESP Fit Center 6990 is at -0.639880 -1.470063 -3.783496 ESP Fit Center 6991 is at -0.361755 -1.778953 -3.783496 ESP Fit Center 6992 is at -0.025485 -2.023267 -3.783496 ESP Fit Center 6993 is at 2.299012 -1.778953 -3.783496 ESP Fit Center 6994 is at -0.602480 0.119565 -4.002149 ESP Fit Center 6995 is at -0.657902 -0.301412 -4.002149 ESP Fit Center 6996 is at -0.602480 -0.722390 -4.002149 ESP Fit Center 6997 is at -0.439988 -1.114678 -4.002149 ESP Fit Center 6998 is at -0.181502 -1.451544 -4.002149 ESP Fit Center 6999 is at 0.155363 -1.710030 -4.002149 ESP Fit Center 7000 is at 0.547652 -1.872521 -4.002149 ESP Fit Center 7001 is at 0.968629 -1.927944 -4.002149 ESP Fit Center 7002 is at 1.389606 -1.872521 -4.002149 ESP Fit Center 7003 is at 1.781894 -1.710030 -4.002149 ESP Fit Center 7004 is at -0.272488 -0.301412 -4.175610 ESP Fit Center 7005 is at -0.197640 -0.725899 -4.175610 ESP Fit Center 7006 is at 0.017878 -1.099187 -4.175610 ESP Fit Center 7007 is at 0.348070 -1.376251 -4.175610 ESP Fit Center 7008 is at 0.753111 -1.523674 -4.175610 ESP Fit Center 7009 is at 1.184146 -1.523674 -4.175610 ESP Fit Center 7010 is at 1.742254 0.092239 4.864324 ESP Fit Center 7011 is at 2.159572 0.092239 4.833050 ESP Fit Center 7012 is at 1.950913 0.453647 4.833050 ESP Fit Center 7013 is at 1.533595 0.453647 4.833050 ESP Fit Center 7014 is at 1.324936 0.092239 4.833050 ESP Fit Center 7015 is at 1.533595 -0.269170 4.833050 ESP Fit Center 7016 is at 1.950913 -0.269170 4.833050 ESP Fit Center 7017 is at 2.567568 0.092239 4.739928 ESP Fit Center 7018 is at 2.456997 0.504896 4.739928 ESP Fit Center 7019 is at 2.154911 0.806982 4.739928 ESP Fit Center 7020 is at 1.742254 0.917553 4.739928 ESP Fit Center 7021 is at 1.329597 0.806982 4.739928 ESP Fit Center 7022 is at 1.027511 0.504896 4.739928 ESP Fit Center 7023 is at 0.916940 0.092239 4.739928 ESP Fit Center 7024 is at 1.027511 -0.320419 4.739928 ESP Fit Center 7025 is at 1.329597 -0.622505 4.739928 ESP Fit Center 7026 is at 1.742254 -0.733076 4.739928 ESP Fit Center 7027 is at 2.154911 -0.622505 4.739928 ESP Fit Center 7028 is at 2.456997 -0.320419 4.739928 ESP Fit Center 7029 is at 2.957128 0.092239 4.587037 ESP Fit Center 7030 is at 2.883863 0.507750 4.587037 ESP Fit Center 7031 is at 2.672902 0.873145 4.587037 ESP Fit Center 7032 is at 2.349691 1.144351 4.587037 ESP Fit Center 7033 is at 1.953215 1.288656 4.587037 ESP Fit Center 7034 is at 1.531293 1.288656 4.587037 ESP Fit Center 7035 is at 1.134817 1.144351 4.587037 ESP Fit Center 7036 is at 0.811606 0.873145 4.587037 ESP Fit Center 7037 is at 0.600645 0.507750 4.587037 ESP Fit Center 7038 is at 0.527380 0.092239 4.587037 ESP Fit Center 7039 is at 0.600645 -0.323273 4.587037 ESP Fit Center 7040 is at 0.811606 -0.688668 4.587037 ESP Fit Center 7041 is at 1.134817 -0.959874 4.587037 ESP Fit Center 7042 is at 1.531293 -1.104179 4.587037 ESP Fit Center 7043 is at 1.953215 -1.104179 4.587037 ESP Fit Center 7044 is at 2.349691 -0.959874 4.587037 ESP Fit Center 7045 is at 2.672902 -0.688668 4.587037 ESP Fit Center 7046 is at 2.883863 -0.323273 4.587037 ESP Fit Center 7047 is at 3.319550 0.092239 4.377793 ESP Fit Center 7048 is at 3.265805 0.500473 4.377793 ESP Fit Center 7049 is at 3.108233 0.880887 4.377793 ESP Fit Center 7050 is at 2.857571 1.207555 4.377793 ESP Fit Center 7051 is at 2.530902 1.458217 4.377793 ESP Fit Center 7052 is at 2.150488 1.615790 4.377793 ESP Fit Center 7053 is at 1.742254 1.669535 4.377793 ESP Fit Center 7054 is at 1.334020 1.615790 4.377793 ESP Fit Center 7055 is at 0.953606 1.458217 4.377793 ESP Fit Center 7056 is at 0.626937 1.207555 4.377793 ESP Fit Center 7057 is at 0.376275 0.880887 4.377793 ESP Fit Center 7058 is at 0.218703 0.500473 4.377793 ESP Fit Center 7059 is at 0.164958 0.092239 4.377793 ESP Fit Center 7060 is at 0.218703 -0.315996 4.377793 ESP Fit Center 7061 is at 0.376275 -0.696410 4.377793 ESP Fit Center 7062 is at 0.626937 -1.023078 4.377793 ESP Fit Center 7063 is at 0.953606 -1.273740 4.377793 ESP Fit Center 7064 is at 1.334020 -1.431313 4.377793 ESP Fit Center 7065 is at 1.742254 -1.485058 4.377793 ESP Fit Center 7066 is at 2.150488 -1.431313 4.377793 ESP Fit Center 7067 is at 3.265805 -0.315996 4.377793 ESP Fit Center 7068 is at 3.646738 0.092239 4.116869 ESP Fit Center 7069 is at 3.602212 0.501646 4.116869 ESP Fit Center 7070 is at 3.470717 0.891911 4.116869 ESP Fit Center 7071 is at 3.258400 1.244783 4.116869 ESP Fit Center 7072 is at 2.975191 1.543764 4.116869 ESP Fit Center 7073 is at 2.634330 1.774873 4.116869 ESP Fit Center 7074 is at 2.251757 1.927304 4.116869 ESP Fit Center 7075 is at 1.845361 1.993929 4.116869 ESP Fit Center 7076 is at 1.434143 1.971634 4.116869 ESP Fit Center 7077 is at 1.037332 1.861460 4.116869 ESP Fit Center 7078 is at 0.673482 1.668559 4.116869 ESP Fit Center 7079 is at 0.359607 1.401951 4.116869 ESP Fit Center 7080 is at 0.110383 1.074102 4.116869 ESP Fit Center 7081 is at -0.062536 0.700343 4.116869 ESP Fit Center 7082 is at -0.151066 0.298149 4.116869 ESP Fit Center 7083 is at -0.151066 -0.113672 4.116869 ESP Fit Center 7084 is at -0.062536 -0.515866 4.116869 ESP Fit Center 7085 is at 0.110383 -0.889625 4.116869 ESP Fit Center 7086 is at 0.359607 -1.217474 4.116869 ESP Fit Center 7087 is at 0.673482 -1.484082 4.116869 ESP Fit Center 7088 is at 1.037332 -1.676982 4.116869 ESP Fit Center 7089 is at 1.434143 -1.787156 4.116869 ESP Fit Center 7090 is at 1.845361 -1.809452 4.116869 ESP Fit Center 7091 is at 3.891822 0.506534 3.810095 ESP Fit Center 7092 is at 3.774570 0.905855 3.810095 ESP Fit Center 7093 is at 3.583866 1.275771 3.810095 ESP Fit Center 7094 is at 3.326601 1.602910 3.810095 ESP Fit Center 7095 is at 3.012073 1.875450 3.810095 ESP Fit Center 7096 is at 2.651651 2.083540 3.810095 ESP Fit Center 7097 is at 2.258361 2.219659 3.810095 ESP Fit Center 7098 is at 1.846417 2.278887 3.810095 ESP Fit Center 7099 is at 1.430709 2.259085 3.810095 ESP Fit Center 7100 is at 1.026260 2.160966 3.810095 ESP Fit Center 7101 is at 0.647690 1.988079 3.810095 ESP Fit Center 7102 is at 0.308680 1.746671 3.810095 ESP Fit Center 7103 is at 0.021483 1.445468 3.810095 ESP Fit Center 7104 is at -0.203521 1.095355 3.810095 ESP Fit Center 7105 is at -0.358199 0.708987 3.810095 ESP Fit Center 7106 is at -0.436962 0.300328 3.810095 ESP Fit Center 7107 is at -0.436962 -0.115851 3.810095 ESP Fit Center 7108 is at -0.358199 -0.524510 3.810095 ESP Fit Center 7109 is at -0.203521 -0.910878 3.810095 ESP Fit Center 7110 is at 0.021483 -1.260991 3.810095 ESP Fit Center 7111 is at 0.308680 -1.562194 3.810095 ESP Fit Center 7112 is at 0.647690 -1.803602 3.810095 ESP Fit Center 7113 is at 1.026260 -1.976489 3.810095 ESP Fit Center 7114 is at 1.430709 -2.074607 3.810095 ESP Fit Center 7115 is at 3.013632 2.157087 3.464324 ESP Fit Center 7116 is at 2.646383 2.342250 3.464324 ESP Fit Center 7117 is at 2.253124 2.462684 3.464324 ESP Fit Center 7118 is at 1.845168 2.514925 3.464324 ESP Fit Center 7119 is at 1.434252 2.497469 3.464324 ESP Fit Center 7120 is at 1.032197 2.410820 3.464324 ESP Fit Center 7121 is at 0.650568 2.257469 3.464324 ESP Fit Center 7122 is at 0.300345 2.041828 3.464324 ESP Fit Center 7123 is at -0.008397 1.770101 3.464324 ESP Fit Center 7124 is at -0.266775 1.450105 3.464324 ESP Fit Center 7125 is at -0.467358 1.091046 3.464324 ESP Fit Center 7126 is at -0.604374 0.703253 3.464324 ESP Fit Center 7127 is at -0.673882 0.297882 3.464324 ESP Fit Center 7128 is at -0.673882 -0.113405 3.464324 ESP Fit Center 7129 is at -0.604374 -0.518776 3.464324 ESP Fit Center 7130 is at -0.467358 -0.906569 3.464324 ESP Fit Center 7131 is at -0.266775 -1.265628 3.464324 ESP Fit Center 7132 is at -0.008397 -1.585624 3.464324 ESP Fit Center 7133 is at 0.300345 -1.857351 3.464324 ESP Fit Center 7134 is at 0.650568 -2.072992 3.464324 ESP Fit Center 7135 is at 1.032197 -2.226343 3.464324 ESP Fit Center 7136 is at 1.434252 -2.312992 3.464324 ESP Fit Center 7137 is at 1.334516 2.666595 3.087279 ESP Fit Center 7138 is at 0.936818 2.571116 3.087279 ESP Fit Center 7139 is at 0.558952 2.414599 3.087279 ESP Fit Center 7140 is at 0.210223 2.200898 3.087279 ESP Fit Center 7141 is at -0.100782 1.935275 3.087279 ESP Fit Center 7142 is at -0.366406 1.624269 3.087279 ESP Fit Center 7143 is at -0.580107 1.275541 3.087279 ESP Fit Center 7144 is at -0.736624 0.897675 3.087279 ESP Fit Center 7145 is at -0.832103 0.499977 3.087279 ESP Fit Center 7146 is at -0.864193 0.092239 3.087279 ESP Fit Center 7147 is at -0.832103 -0.315499 3.087279 ESP Fit Center 7148 is at -0.736624 -0.713198 3.087279 ESP Fit Center 7149 is at -0.580107 -1.091063 3.087279 ESP Fit Center 7150 is at -0.366406 -1.439792 3.087279 ESP Fit Center 7151 is at -0.100782 -1.750797 3.087279 ESP Fit Center 7152 is at 0.210223 -2.016421 3.087279 ESP Fit Center 7153 is at 0.558952 -2.230122 3.087279 ESP Fit Center 7154 is at 0.936818 -2.386639 3.087279 ESP Fit Center 7155 is at 1.334516 -2.482118 3.087279 ESP Fit Center 7156 is at -0.073951 2.130178 2.687383 ESP Fit Center 7157 is at -0.363756 1.829052 2.687383 ESP Fit Center 7158 is at -0.979534 0.301203 2.687383 ESP Fit Center 7159 is at -0.979534 -0.116725 2.687383 ESP Fit Center 7160 is at -0.915738 -0.529756 2.687383 ESP Fit Center 7161 is at -0.789640 -0.928207 2.687383 ESP Fit Center 7162 is at -0.604198 -1.302739 2.687383 ESP Fit Center 7163 is at -0.363756 -1.644575 2.687383 ESP Fit Center 7164 is at -0.073951 -1.945701 2.687383 ESP Fit Center 7165 is at 2.131182 -3.577773 1.031263 ESP Fit Center 7166 is at 2.227762 -3.685981 0.617449 ESP Fit Center 7167 is at 2.626541 -3.808987 0.617449 ESP Fit Center 7168 is at 2.626541 -3.808987 0.198960 ESP Fit Center 7169 is at 3.039198 -3.871185 0.198960 ESP Fit Center 7170 is at 2.934794 -3.798609 -0.214854 ESP Fit Center 7171 is at 3.352416 -3.814617 -0.214854 ESP Fit Center 7172 is at 3.247857 -3.693269 -0.614750 ESP Fit Center 7173 is at 3.655595 -3.661179 -0.614750 ESP Fit Center 7174 is at 3.350771 -3.509509 -0.991795 ESP Fit Center 7175 is at 3.758727 -3.457268 -0.991795 ESP Fit Center 7176 is at 4.151986 -3.336834 -0.991795 ESP Fit Center 7177 is at 5.436985 -1.086822 -1.337567 ESP Fit Center 7178 is at 3.763964 -3.214242 -1.337567 ESP Fit Center 7179 is at 4.157254 -3.078123 -1.337567 ESP Fit Center 7180 is at 4.517676 -2.870033 -1.337567 ESP Fit Center 7181 is at 4.832204 -2.597494 -1.337567 ESP Fit Center 7182 is at 5.089469 -2.270354 -1.337567 ESP Fit Center 7183 is at 5.280173 -1.900439 -1.337567 ESP Fit Center 7184 is at 5.397425 -1.501118 -1.337567 ESP Fit Center 7185 is at 3.757360 -2.921887 -1.644341 ESP Fit Center 7186 is at 4.139933 -2.769457 -1.644341 ESP Fit Center 7187 is at 4.480794 -2.538347 -1.644341 ESP Fit Center 7188 is at 4.764003 -2.239367 -1.644341 ESP Fit Center 7189 is at 4.976320 -1.886494 -1.644341 ESP Fit Center 7190 is at 5.107815 -1.496230 -1.644341 ESP Fit Center 7191 is at 4.036505 -2.452801 -1.905264 ESP Fit Center 7192 is at 4.363174 -2.202139 -1.905264 ESP Fit Center 7193 is at 4.613836 -1.875470 -1.905264 ESP Fit Center 7194 is at 4.771408 -1.495057 -1.905264 ESP Fit Center 7195 is at 3.855294 -2.138934 -2.114508 ESP Fit Center 7196 is at 4.178505 -1.867729 -2.114508 ESP Fit Center 7197 is at 4.389466 -1.502334 -2.114508 ESP Fit Center 7198 is at 3.962600 -1.499480 -2.267399 ESP Fit Center 7199 is at 4.982752 -1.340837 4.306338 ESP Fit Center 7200 is at 4.874315 -0.936141 4.306338 ESP Fit Center 7201 is at 4.578057 -0.639884 4.306338 ESP Fit Center 7202 is at 5.368565 -1.340837 4.169220 ESP Fit Center 7203 is at 5.296486 -0.932053 4.169220 ESP Fit Center 7204 is at 5.088941 -0.572575 4.169220 ESP Fit Center 7205 is at 4.770964 -0.305760 4.169220 ESP Fit Center 7206 is at 4.380907 -0.163791 4.169220 ESP Fit Center 7207 is at 5.296486 -1.749620 4.169220 ESP Fit Center 7208 is at 5.732114 -1.340837 3.980844 ESP Fit Center 7209 is at 5.674311 -0.920290 3.980844 ESP Fit Center 7210 is at 5.505190 -0.530934 3.980844 ESP Fit Center 7211 is at 5.237293 -0.201645 3.980844 ESP Fit Center 7212 is at 4.890489 0.043156 3.980844 ESP Fit Center 7213 is at 4.490499 0.185313 3.980844 ESP Fit Center 7214 is at 4.066989 0.214281 3.980844 ESP Fit Center 7215 is at 5.237293 -2.480029 3.980844 ESP Fit Center 7216 is at 5.505190 -2.150739 3.980844 ESP Fit Center 7217 is at 5.674311 -1.761383 3.980844 ESP Fit Center 7218 is at 6.066626 -1.340837 3.744720 ESP Fit Center 7219 is at 6.022362 -0.933841 3.744720 ESP Fit Center 7220 is at 5.891642 -0.545876 3.744720 ESP Fit Center 7221 is at 4.275861 0.549651 3.744720 ESP Fit Center 7222 is at 5.060183 -3.013558 3.744720 ESP Fit Center 7223 is at 5.399035 -2.783810 3.744720 ESP Fit Center 7224 is at 5.680576 -2.486591 3.744720 ESP Fit Center 7225 is at 5.891642 -2.135797 3.744720 ESP Fit Center 7226 is at 6.022362 -1.747832 3.744720 ESP Fit Center 7227 is at 6.365870 -1.340837 3.465245 ESP Fit Center 7228 is at 6.326248 -0.925902 3.465245 ESP Fit Center 7229 is at 5.084163 -3.335212 3.465245 ESP Fit Center 7230 is at 5.445141 -3.126801 3.465245 ESP Fit Center 7231 is at 5.760155 -2.853840 3.465245 ESP Fit Center 7232 is at 6.017817 -2.526196 3.465245 ESP Fit Center 7233 is at 6.208816 -2.155709 3.465245 ESP Fit Center 7234 is at 6.326248 -1.755771 3.465245 ESP Fit Center 7235 is at 6.624272 -1.340837 3.147627 ESP Fit Center 7236 is at 6.589018 -0.926631 3.147627 ESP Fit Center 7237 is at 4.689718 -3.736736 3.147627 ESP Fit Center 7238 is at 5.087200 -3.615009 3.147627 ESP Fit Center 7239 is at 5.458392 -3.427858 3.147627 ESP Fit Center 7240 is at 5.792616 -3.180667 3.147627 ESP Fit Center 7241 is at 6.080257 -2.880547 3.147627 ESP Fit Center 7242 is at 6.313041 -2.536133 3.147627 ESP Fit Center 7243 is at 6.484269 -2.157332 3.147627 ESP Fit Center 7244 is at 6.589018 -1.755042 3.147627 ESP Fit Center 7245 is at 6.837018 -1.340837 2.797781 ESP Fit Center 7246 is at 6.804224 -0.924149 2.797781 ESP Fit Center 7247 is at 4.173362 -4.004492 2.797781 ESP Fit Center 7248 is at 4.590050 -3.971698 2.797781 ESP Fit Center 7249 is at 4.996477 -3.874124 2.797781 ESP Fit Center 7250 is at 6.546697 -2.550111 2.797781 ESP Fit Center 7251 is at 6.706649 -2.163951 2.797781 ESP Fit Center 7252 is at 6.804224 -1.757524 2.797781 ESP Fit Center 7253 is at 7.000145 -1.340837 2.422225 ESP Fit Center 7254 is at 6.970021 -0.929254 2.422225 ESP Fit Center 7255 is at 3.260649 -4.016216 2.422225 ESP Fit Center 7256 is at 3.659914 -4.120598 2.422225 ESP Fit Center 7257 is at 4.070122 -4.165733 2.422225 ESP Fit Center 7258 is at 4.482531 -4.150661 2.422225 ESP Fit Center 7259 is at 6.880291 -2.155230 2.422225 ESP Fit Center 7260 is at 6.970021 -1.752419 2.422225 ESP Fit Center 7261 is at 7.110614 -1.340837 2.027954 ESP Fit Center 7262 is at 7.082029 -0.932050 2.027954 ESP Fit Center 7263 is at 2.365009 -3.655423 2.027954 ESP Fit Center 7264 is at 2.704736 -3.884572 2.027954 ESP Fit Center 7265 is at 3.073048 -4.064210 2.027954 ESP Fit Center 7266 is at 3.462776 -4.190840 2.027954 ESP Fit Center 7267 is at 3.866336 -4.261998 2.027954 ESP Fit Center 7268 is at 7.082029 -1.749623 2.027954 ESP Fit Center 7269 is at 7.166368 -1.340837 1.622313 ESP Fit Center 7270 is at 7.137241 -0.924291 1.622313 ESP Fit Center 7271 is at 2.020373 -3.419954 1.622313 ESP Fit Center 7272 is at 2.330683 -3.699358 1.622313 ESP Fit Center 7273 is at 2.676859 -3.932856 1.622313 ESP Fit Center 7274 is at 3.052162 -4.115904 1.622313 ESP Fit Center 7275 is at 3.449288 -4.244938 1.622313 ESP Fit Center 7276 is at 3.860508 -4.317447 1.622313 ESP Fit Center 7277 is at 7.166368 -1.340837 1.212858 ESP Fit Center 7278 is at 7.137241 -0.924291 1.212858 ESP Fit Center 7279 is at 2.330683 -3.699358 1.212858 ESP Fit Center 7280 is at 2.676859 -3.932856 1.212858 ESP Fit Center 7281 is at 3.052162 -4.115904 1.212858 ESP Fit Center 7282 is at 3.449288 -4.244938 1.212858 ESP Fit Center 7283 is at 7.110614 -1.340837 0.807218 ESP Fit Center 7284 is at 7.082029 -0.932050 0.807218 ESP Fit Center 7285 is at 2.704736 -3.884572 0.807218 ESP Fit Center 7286 is at 3.073048 -4.064210 0.807218 ESP Fit Center 7287 is at 3.462776 -4.190840 0.807218 ESP Fit Center 7288 is at 7.000145 -1.340837 0.412947 ESP Fit Center 7289 is at 6.970021 -0.929254 0.412947 ESP Fit Center 7290 is at 6.880291 -0.526443 0.412947 ESP Fit Center 7291 is at 3.260649 -4.016216 0.412947 ESP Fit Center 7292 is at 3.659914 -4.120598 0.412947 ESP Fit Center 7293 is at 6.837018 -1.340837 0.037391 ESP Fit Center 7294 is at 6.804224 -0.924149 0.037391 ESP Fit Center 7295 is at 6.706649 -0.517722 0.037391 ESP Fit Center 7296 is at 6.546697 -0.131562 0.037391 ESP Fit Center 7297 is at 3.350247 -3.874124 0.037391 ESP Fit Center 7298 is at 6.624272 -1.340837 -0.312455 ESP Fit Center 7299 is at 6.589018 -0.926631 -0.312455 ESP Fit Center 7300 is at 6.484269 -0.524341 -0.312455 ESP Fit Center 7301 is at 6.313041 -0.145540 -0.312455 ESP Fit Center 7302 is at 6.365870 -1.340837 -0.630074 ESP Fit Center 7303 is at 6.326248 -0.925902 -0.630074 ESP Fit Center 7304 is at 6.208816 -0.525964 -0.630074 ESP Fit Center 7305 is at 6.066626 -1.340837 -0.909548 ESP Fit Center 7306 is at 6.022362 -0.933841 -0.909548 ESP Fit Center 7307 is at 5.891642 -0.545876 -0.909548 ESP Fit Center 7308 is at 5.732114 -1.340837 -1.145673 ESP Fit Center 7309 is at 5.674311 -0.920290 -1.145673 ESP Fit Center 7310 is at 5.674311 -1.761383 -1.145673 ESP Fit Center 7311 is at 3.648608 -1.635712 4.725991 ESP Fit Center 7312 is at 4.065364 -1.635712 4.689529 ESP Fit Center 7313 is at 3.856986 -1.274791 4.689529 ESP Fit Center 7314 is at 3.440231 -1.274791 4.689529 ESP Fit Center 7315 is at 3.231853 -1.635712 4.689529 ESP Fit Center 7316 is at 3.440231 -1.996633 4.689529 ESP Fit Center 7317 is at 3.856986 -1.996633 4.689529 ESP Fit Center 7318 is at 4.469457 -1.635712 4.581253 ESP Fit Center 7319 is at 4.359484 -1.225287 4.581253 ESP Fit Center 7320 is at 4.059033 -0.924836 4.581253 ESP Fit Center 7321 is at 3.648608 -0.814863 4.581253 ESP Fit Center 7322 is at 3.238184 -0.924836 4.581253 ESP Fit Center 7323 is at 2.937733 -1.225287 4.581253 ESP Fit Center 7324 is at 2.827760 -1.635712 4.581253 ESP Fit Center 7325 is at 2.937733 -2.046136 4.581253 ESP Fit Center 7326 is at 3.238184 -2.346587 4.581253 ESP Fit Center 7327 is at 3.648608 -2.456560 4.581253 ESP Fit Center 7328 is at 4.059033 -2.346587 4.581253 ESP Fit Center 7329 is at 4.359484 -2.046136 4.581253 ESP Fit Center 7330 is at 4.848608 -1.635712 4.404452 ESP Fit Center 7331 is at 4.776239 -1.225287 4.404452 ESP Fit Center 7332 is at 4.567862 -0.864366 4.404452 ESP Fit Center 7333 is at 4.248608 -0.596481 4.404452 ESP Fit Center 7334 is at 3.856986 -0.453942 4.404452 ESP Fit Center 7335 is at 3.440231 -0.453942 4.404452 ESP Fit Center 7336 is at 2.448608 -1.635712 4.404452 ESP Fit Center 7337 is at 2.520977 -2.046136 4.404452 ESP Fit Center 7338 is at 2.729355 -2.407057 4.404452 ESP Fit Center 7339 is at 3.048608 -2.674942 4.404452 ESP Fit Center 7340 is at 3.440231 -2.817481 4.404452 ESP Fit Center 7341 is at 3.856986 -2.817481 4.404452 ESP Fit Center 7342 is at 4.248608 -2.674942 4.404452 ESP Fit Center 7343 is at 4.567862 -2.407057 4.404452 ESP Fit Center 7344 is at 4.776239 -2.046136 4.404452 ESP Fit Center 7345 is at 3.962478 -0.125288 4.164497 ESP Fit Center 7346 is at 2.120287 -1.845775 4.164497 ESP Fit Center 7347 is at 2.233635 -2.250321 4.164497 ESP Fit Center 7348 is at 2.451926 -2.609285 4.164497 ESP Fit Center 7349 is at 2.758969 -2.896043 4.164497 ESP Fit Center 7350 is at 3.131993 -3.089328 4.164497 ESP Fit Center 7351 is at 3.543331 -3.174805 4.164497 ESP Fit Center 7352 is at 3.962478 -3.146135 4.164497 ESP Fit Center 7353 is at 4.358346 -3.005443 4.164497 ESP Fit Center 7354 is at 4.701576 -2.763165 4.164497 ESP Fit Center 7355 is at 4.966713 -2.437269 4.164497 ESP Fit Center 7356 is at 1.920977 -2.264518 3.868681 ESP Fit Center 7357 is at 2.112558 -2.645987 3.868681 ESP Fit Center 7358 is at 2.386949 -2.972993 3.868681 ESP Fit Center 7359 is at 2.729355 -3.227905 3.868681 ESP Fit Center 7360 is at 3.121319 -3.396982 3.868681 ESP Fit Center 7361 is at 3.541709 -3.471108 3.868681 ESP Fit Center 7362 is at 3.967862 -3.446287 3.868681 ESP Fit Center 7363 is at 4.376804 -3.323858 3.868681 ESP Fit Center 7364 is at 4.746488 -3.110420 3.868681 ESP Fit Center 7365 is at 1.831313 -2.644393 3.525991 ESP Fit Center 7366 is at 2.071559 -2.989564 3.525991 ESP Fit Center 7367 is at 2.376370 -3.279308 3.525991 ESP Fit Center 7368 is at 2.733266 -3.501763 3.525991 ESP Fit Center 7369 is at 3.127637 -3.647822 3.525991 ESP Fit Center 7370 is at 3.543336 -3.711505 3.525991 ESP Fit Center 7371 is at 3.963345 -3.690204 3.525991 ESP Fit Center 7372 is at 4.370469 -3.584793 3.525991 ESP Fit Center 7373 is at 4.748039 -3.399586 3.525991 ESP Fit Center 7374 is at 1.644051 -2.669133 3.146839 ESP Fit Center 7375 is at 1.875852 -3.029822 3.146839 ESP Fit Center 7376 is at 2.171726 -3.340125 3.146839 ESP Fit Center 7377 is at 2.520977 -3.588826 3.146839 ESP Fit Center 7378 is at 2.910984 -3.766936 3.146839 ESP Fit Center 7379 is at 3.327651 -3.868019 3.146839 ESP Fit Center 7380 is at 3.755918 -3.888419 3.146839 ESP Fit Center 7381 is at 4.180307 -3.827402 3.146839 ESP Fit Center 7382 is at 1.736465 -3.024965 2.742746 ESP Fit Center 7383 is at 2.015255 -3.344065 2.742746 ESP Fit Center 7384 is at 2.346542 -3.608258 2.742746 ESP Fit Center 7385 is at 2.719679 -3.809051 2.742746 ESP Fit Center 7386 is at 3.122672 -3.939991 2.742746 ESP Fit Center 7387 is at 3.542569 -3.996870 2.742746 ESP Fit Center 7388 is at 1.810102 -3.178402 2.325991 ESP Fit Center 7389 is at 2.105918 -3.474218 2.325991 ESP Fit Center 7390 is at 2.448608 -3.714173 2.325991 ESP Fit Center 7391 is at 2.827760 -3.890974 2.325991 ESP Fit Center 7392 is at 5.893122 -3.272575 2.944703 ESP Fit Center 7393 is at 5.159407 -3.955698 2.648887 ESP Fit Center 7394 is at 5.568349 -3.833268 2.648887 ESP Fit Center 7395 is at 5.938034 -3.619831 2.648887 ESP Fit Center 7396 is at 6.248532 -3.326891 2.648887 ESP Fit Center 7397 is at 6.483103 -2.970242 2.648887 ESP Fit Center 7398 is at 6.629103 -2.569111 2.648887 ESP Fit Center 7399 is at 4.734881 -4.220915 2.306197 ESP Fit Center 7400 is at 5.154890 -4.199615 2.306197 ESP Fit Center 7401 is at 5.562014 -4.094203 2.306197 ESP Fit Center 7402 is at 5.939585 -3.908996 2.306197 ESP Fit Center 7403 is at 6.272145 -3.651575 2.306197 ESP Fit Center 7404 is at 6.546078 -3.332481 2.306197 ESP Fit Center 7405 is at 6.750172 -2.964775 2.306197 ESP Fit Center 7406 is at 6.876068 -2.563513 2.306197 ESP Fit Center 7407 is at 7.095416 -2.145122 1.927045 ESP Fit Center 7408 is at 4.519196 -4.377429 1.927045 ESP Fit Center 7409 is at 4.947463 -4.397830 1.927045 ESP Fit Center 7410 is at 5.371852 -4.336812 1.927045 ESP Fit Center 7411 is at 5.777024 -4.196581 1.927045 ESP Fit Center 7412 is at 6.148334 -3.982204 1.927045 ESP Fit Center 7413 is at 6.472364 -3.701431 1.927045 ESP Fit Center 7414 is at 6.737401 -3.364409 1.927045 ESP Fit Center 7415 is at 6.933867 -2.983318 1.927045 ESP Fit Center 7416 is at 7.054660 -2.571933 1.927045 ESP Fit Center 7417 is at 7.203692 -2.145122 1.522952 ESP Fit Center 7418 is at 7.165709 -1.723096 1.522952 ESP Fit Center 7419 is at 4.314217 -4.449402 1.522952 ESP Fit Center 7420 is at 4.734114 -4.506281 1.522952 ESP Fit Center 7421 is at 5.157419 -4.487270 1.522952 ESP Fit Center 7422 is at 5.570527 -4.392981 1.522952 ESP Fit Center 7423 is at 5.960161 -4.226443 1.522952 ESP Fit Center 7424 is at 6.313796 -3.993011 1.522952 ESP Fit Center 7425 is at 6.620067 -3.700185 1.522952 ESP Fit Center 7426 is at 6.869131 -3.357379 1.522952 ESP Fit Center 7427 is at 7.052981 -2.975610 1.522952 ESP Fit Center 7428 is at 7.165709 -2.567148 1.522952 ESP Fit Center 7429 is at 7.240154 -2.145122 1.106197 ESP Fit Center 7430 is at 7.203692 -1.728366 1.106197 ESP Fit Center 7431 is at 4.019305 -4.400384 1.106197 ESP Fit Center 7432 is at 4.423398 -4.508660 1.106197 ESP Fit Center 7433 is at 4.840154 -4.545122 1.106197 ESP Fit Center 7434 is at 5.256909 -4.508660 1.106197 ESP Fit Center 7435 is at 5.661002 -4.400384 1.106197 ESP Fit Center 7436 is at 6.040154 -4.223583 1.106197 ESP Fit Center 7437 is at 6.382844 -3.983629 1.106197 ESP Fit Center 7438 is at 6.678660 -3.687812 1.106197 ESP Fit Center 7439 is at 6.918615 -3.345122 1.106197 ESP Fit Center 7440 is at 7.095416 -2.965970 1.106197 ESP Fit Center 7441 is at 7.203692 -2.561878 1.106197 ESP Fit Center 7442 is at 7.203692 -2.145122 0.689441 ESP Fit Center 7443 is at 7.165709 -1.723096 0.689441 ESP Fit Center 7444 is at 3.911224 -4.318461 0.689441 ESP Fit Center 7445 is at 4.314217 -4.449402 0.689441 ESP Fit Center 7446 is at 4.734114 -4.506281 0.689441 ESP Fit Center 7447 is at 5.157419 -4.487270 0.689441 ESP Fit Center 7448 is at 5.570527 -4.392981 0.689441 ESP Fit Center 7449 is at 5.960161 -4.226443 0.689441 ESP Fit Center 7450 is at 6.313796 -3.993011 0.689441 ESP Fit Center 7451 is at 6.620067 -3.700185 0.689441 ESP Fit Center 7452 is at 6.869131 -3.357379 0.689441 ESP Fit Center 7453 is at 7.052981 -2.975610 0.689441 ESP Fit Center 7454 is at 7.165709 -2.567148 0.689441 ESP Fit Center 7455 is at 7.095416 -2.145122 0.285348 ESP Fit Center 7456 is at 7.054660 -1.718311 0.285348 ESP Fit Center 7457 is at 3.712523 -4.098236 0.285348 ESP Fit Center 7458 is at 4.102530 -4.276347 0.285348 ESP Fit Center 7459 is at 4.519196 -4.377429 0.285348 ESP Fit Center 7460 is at 4.947463 -4.397830 0.285348 ESP Fit Center 7461 is at 5.371852 -4.336812 0.285348 ESP Fit Center 7462 is at 5.777024 -4.196581 0.285348 ESP Fit Center 7463 is at 6.148334 -3.982204 0.285348 ESP Fit Center 7464 is at 6.472364 -3.701431 0.285348 ESP Fit Center 7465 is at 6.737401 -3.364409 0.285348 ESP Fit Center 7466 is at 6.933867 -2.983318 0.285348 ESP Fit Center 7467 is at 7.054660 -2.571933 0.285348 ESP Fit Center 7468 is at 6.918615 -2.145122 -0.093803 ESP Fit Center 7469 is at 6.876068 -1.726731 -0.093803 ESP Fit Center 7470 is at 3.924812 -4.011174 -0.093803 ESP Fit Center 7471 is at 4.319182 -4.157232 -0.093803 ESP Fit Center 7472 is at 4.734881 -4.220915 -0.093803 ESP Fit Center 7473 is at 5.154890 -4.199615 -0.093803 ESP Fit Center 7474 is at 5.562014 -4.094203 -0.093803 ESP Fit Center 7475 is at 5.939585 -3.908996 -0.093803 ESP Fit Center 7476 is at 6.272145 -3.651575 -0.093803 ESP Fit Center 7477 is at 6.546078 -3.332481 -0.093803 ESP Fit Center 7478 is at 6.750172 -2.964775 -0.093803 ESP Fit Center 7479 is at 6.876068 -2.563513 -0.093803 ESP Fit Center 7480 is at 6.678660 -2.145122 -0.436493 ESP Fit Center 7481 is at 6.629103 -1.721133 -0.436493 ESP Fit Center 7482 is at 3.920900 -3.737315 -0.436493 ESP Fit Center 7483 is at 4.312864 -3.906392 -0.436493 ESP Fit Center 7484 is at 4.733254 -3.980518 -0.436493 ESP Fit Center 7485 is at 5.159407 -3.955698 -0.436493 ESP Fit Center 7486 is at 5.568349 -3.833268 -0.436493 ESP Fit Center 7487 is at 5.938034 -3.619831 -0.436493 ESP Fit Center 7488 is at 6.248532 -3.326891 -0.436493 ESP Fit Center 7489 is at 6.483103 -2.970242 -0.436493 ESP Fit Center 7490 is at 6.629103 -2.569111 -0.436493 ESP Fit Center 7491 is at 6.382844 -2.145122 -0.732310 ESP Fit Center 7492 is at 6.325637 -1.728909 -0.732310 ESP Fit Center 7493 is at 4.323538 -3.598739 -0.732310 ESP Fit Center 7494 is at 4.734877 -3.684216 -0.732310 ESP Fit Center 7495 is at 5.154023 -3.655545 -0.732310 ESP Fit Center 7496 is at 5.549892 -3.514854 -0.732310 ESP Fit Center 7497 is at 5.893122 -3.272575 -0.732310 ESP Fit Center 7498 is at 6.158258 -2.946679 -0.732310 ESP Fit Center 7499 is at 6.325637 -2.561335 -0.732310 ESP Fit Center 7500 is at 6.040154 -2.145122 -0.972264 ESP Fit Center 7501 is at 5.967785 -1.734698 -0.972264 ESP Fit Center 7502 is at 4.631776 -3.326891 -0.972264 ESP Fit Center 7503 is at 5.048532 -3.326891 -0.972264 ESP Fit Center 7504 is at 5.440154 -3.184352 -0.972264 ESP Fit Center 7505 is at 5.759407 -2.916467 -0.972264 ESP Fit Center 7506 is at 5.967785 -2.555546 -0.972264 ESP Fit Center 7507 is at 5.661002 -2.145122 -1.149065 ESP Fit Center 7508 is at 4.840154 -2.965970 -1.149065 ESP Fit Center 7509 is at 5.250578 -2.855997 -1.149065 ESP Fit Center 7510 is at 5.551029 -2.555546 -1.149065 ESP Fit Center 7511 is at 5.048532 -2.506043 -1.257342 ESP Fit Center 7512 is at 5.468102 -0.030720 3.866289 ESP Fit Center 7513 is at 5.167651 0.269732 3.866289 ESP Fit Center 7514 is at 4.757227 0.379705 3.866289 ESP Fit Center 7515 is at 5.957227 -0.441144 3.689488 ESP Fit Center 7516 is at 5.884858 -0.030720 3.689488 ESP Fit Center 7517 is at 5.676480 0.330201 3.689488 ESP Fit Center 7518 is at 5.357227 0.598087 3.689488 ESP Fit Center 7519 is at 4.965605 0.740626 3.689488 ESP Fit Center 7520 is at 4.548849 0.740626 3.689488 ESP Fit Center 7521 is at 6.299917 -0.441144 3.449534 ESP Fit Center 7522 is at 6.242710 -0.024931 3.449534 ESP Fit Center 7523 is at 6.075331 0.360413 3.449534 ESP Fit Center 7524 is at 5.810195 0.686310 3.449534 ESP Fit Center 7525 is at 5.466965 0.928588 3.449534 ESP Fit Center 7526 is at 5.071096 1.069280 3.449534 ESP Fit Center 7527 is at 4.651950 1.097950 3.449534 ESP Fit Center 7528 is at 4.240611 1.012473 3.449534 ESP Fit Center 7529 is at 6.595734 -0.441144 3.153717 ESP Fit Center 7530 is at 6.546176 -0.017155 3.153717 ESP Fit Center 7531 is at 6.400176 0.383977 3.153717 ESP Fit Center 7532 is at 6.165605 0.740626 3.153717 ESP Fit Center 7533 is at 5.855107 1.033565 3.153717 ESP Fit Center 7534 is at 5.485422 1.247003 3.153717 ESP Fit Center 7535 is at 5.076480 1.369432 3.153717 ESP Fit Center 7536 is at 4.650327 1.394252 3.153717 ESP Fit Center 7537 is at 6.835688 -0.441144 2.811027 ESP Fit Center 7538 is at 6.793142 -0.022753 2.811027 ESP Fit Center 7539 is at 6.667245 0.378510 2.811027 ESP Fit Center 7540 is at 6.463152 0.746215 2.811027 ESP Fit Center 7541 is at 6.189218 1.065310 2.811027 ESP Fit Center 7542 is at 5.856658 1.322730 2.811027 ESP Fit Center 7543 is at 5.479087 1.507937 2.811027 ESP Fit Center 7544 is at 5.071964 1.613349 2.811027 ESP Fit Center 7545 is at 4.651955 1.634650 2.811027 ESP Fit Center 7546 is at 6.793142 -0.859535 2.811027 ESP Fit Center 7547 is at 7.012489 -0.441144 2.431875 ESP Fit Center 7548 is at 6.971734 -0.014333 2.431875 ESP Fit Center 7549 is at 6.850940 0.397053 2.431875 ESP Fit Center 7550 is at 6.654474 0.778143 2.431875 ESP Fit Center 7551 is at 6.389437 1.115165 2.431875 ESP Fit Center 7552 is at 6.065407 1.395939 2.431875 ESP Fit Center 7553 is at 5.694097 1.610315 2.431875 ESP Fit Center 7554 is at 5.288925 1.750546 2.431875 ESP Fit Center 7555 is at 6.971734 -0.867955 2.431875 ESP Fit Center 7556 is at 7.120765 -0.441144 2.027783 ESP Fit Center 7557 is at 7.082782 -0.019118 2.027783 ESP Fit Center 7558 is at 6.970054 0.389344 2.027783 ESP Fit Center 7559 is at 6.786204 0.771114 2.027783 ESP Fit Center 7560 is at 6.537140 1.113920 2.027783 ESP Fit Center 7561 is at 6.230869 1.406745 2.027783 ESP Fit Center 7562 is at 5.877234 1.640178 2.027783 ESP Fit Center 7563 is at 5.487600 1.806715 2.027783 ESP Fit Center 7564 is at 7.082782 -0.863170 2.027783 ESP Fit Center 7565 is at 7.157227 -0.441144 1.611027 ESP Fit Center 7566 is at 7.120765 -0.024388 1.611027 ESP Fit Center 7567 is at 7.012489 0.379705 1.611027 ESP Fit Center 7568 is at 6.835688 0.758856 1.611027 ESP Fit Center 7569 is at 6.595734 1.101547 1.611027 ESP Fit Center 7570 is at 6.299917 1.397363 1.611027 ESP Fit Center 7571 is at 5.957227 1.637317 1.611027 ESP Fit Center 7572 is at 7.120765 -0.441144 1.194271 ESP Fit Center 7573 is at 7.082782 -0.019118 1.194271 ESP Fit Center 7574 is at 6.970054 0.389344 1.194271 ESP Fit Center 7575 is at 6.786204 0.771114 1.194271 ESP Fit Center 7576 is at 6.537140 1.113920 1.194271 ESP Fit Center 7577 is at 6.230869 1.406745 1.194271 ESP Fit Center 7578 is at 5.877234 1.640178 1.194271 ESP Fit Center 7579 is at 7.012489 -0.441144 0.790179 ESP Fit Center 7580 is at 6.971734 -0.014333 0.790179 ESP Fit Center 7581 is at 6.850940 0.397053 0.790179 ESP Fit Center 7582 is at 6.654474 0.778143 0.790179 ESP Fit Center 7583 is at 6.389437 1.115165 0.790179 ESP Fit Center 7584 is at 6.065407 1.395939 0.790179 ESP Fit Center 7585 is at 6.793142 -0.022753 0.411027 ESP Fit Center 7586 is at 6.667245 0.378510 0.411027 ESP Fit Center 7587 is at 6.463152 0.746215 0.411027 ESP Fit Center 7588 is at 6.189218 1.065310 0.411027 ESP Fit Center 7589 is at 6.546176 -0.017155 0.068337 ESP Fit Center 7590 is at 6.400176 0.383977 0.068337 ESP Fit Center 7591 is at 6.165605 0.740626 0.068337 ESP Fit Center 7592 is at 0.758151 3.080626 -2.742001 ESP Fit Center 7593 is at 0.364822 2.939359 -2.742001 ESP Fit Center 7594 is at 1.073759 3.022765 -3.141897 ESP Fit Center 7595 is at 0.676061 2.927286 -3.141897 ESP Fit Center 7596 is at 0.298195 2.770769 -3.141897 ESP Fit Center 7597 is at -0.050534 2.557068 -3.141897 ESP Fit Center 7598 is at -0.361539 2.291444 -3.141897 ESP Fit Center 7599 is at 3.590157 -1.083622 -3.141897 ESP Fit Center 7600 is at 3.803858 -0.734893 -3.141897 ESP Fit Center 7601 is at 1.584412 2.871095 -3.518942 ESP Fit Center 7602 is at 1.173495 2.853639 -3.518942 ESP Fit Center 7603 is at 0.771440 2.766990 -3.518942 ESP Fit Center 7604 is at 0.389811 2.613639 -3.518942 ESP Fit Center 7605 is at 0.039588 2.397998 -3.518942 ESP Fit Center 7606 is at -0.269153 2.126271 -3.518942 ESP Fit Center 7607 is at -0.527532 1.806275 -3.518942 ESP Fit Center 7608 is at -0.728115 1.447216 -3.518942 ESP Fit Center 7609 is at 3.083548 -1.371875 -3.518942 ESP Fit Center 7610 is at 3.368134 -1.074944 -3.518942 ESP Fit Center 7611 is at 3.598444 -0.734189 -3.518942 ESP Fit Center 7612 is at 3.767853 -0.359413 -3.518942 ESP Fit Center 7613 is at 3.670625 0.448408 -3.864714 ESP Fit Center 7614 is at 3.631065 0.862704 -3.864714 ESP Fit Center 7615 is at 3.513814 1.262025 -3.864714 ESP Fit Center 7616 is at 3.323109 1.631941 -3.864714 ESP Fit Center 7617 is at 3.065844 1.959080 -3.864714 ESP Fit Center 7618 is at 2.751316 2.231620 -3.864714 ESP Fit Center 7619 is at 2.390894 2.439709 -3.864714 ESP Fit Center 7620 is at 1.997604 2.575829 -3.864714 ESP Fit Center 7621 is at 1.585660 2.635057 -3.864714 ESP Fit Center 7622 is at 1.169952 2.615254 -3.864714 ESP Fit Center 7623 is at 0.765503 2.517136 -3.864714 ESP Fit Center 7624 is at 0.386933 2.344249 -3.864714 ESP Fit Center 7625 is at 0.047923 2.102841 -3.864714 ESP Fit Center 7626 is at -0.239274 1.801638 -3.864714 ESP Fit Center 7627 is at -0.464278 1.451525 -3.864714 ESP Fit Center 7628 is at -0.618956 1.065157 -3.864714 ESP Fit Center 7629 is at -0.697718 0.656498 -3.864714 ESP Fit Center 7630 is at 2.390894 -1.542893 -3.864714 ESP Fit Center 7631 is at 2.751316 -1.334803 -3.864714 ESP Fit Center 7632 is at 3.065844 -1.062263 -3.864714 ESP Fit Center 7633 is at 3.323109 -0.735124 -3.864714 ESP Fit Center 7634 is at 3.513814 -0.365208 -3.864714 ESP Fit Center 7635 is at 3.631065 0.034113 -3.864714 ESP Fit Center 7636 is at 3.385981 0.448408 -4.171488 ESP Fit Center 7637 is at 3.341455 0.857816 -4.171488 ESP Fit Center 7638 is at 3.209960 1.248080 -4.171488 ESP Fit Center 7639 is at 2.997643 1.600953 -4.171488 ESP Fit Center 7640 is at 2.714434 1.899934 -4.171488 ESP Fit Center 7641 is at 2.373573 2.131043 -4.171488 ESP Fit Center 7642 is at 1.991001 2.283474 -4.171488 ESP Fit Center 7643 is at 1.584604 2.350099 -4.171488 ESP Fit Center 7644 is 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1.237057 -4.432411 ESP Fit Center 7663 is at 2.596814 1.563725 -4.432411 ESP Fit Center 7664 is at 2.270145 1.814387 -4.432411 ESP Fit Center 7665 is at 1.889731 1.971960 -4.432411 ESP Fit Center 7666 is at 1.481497 2.025705 -4.432411 ESP Fit Center 7667 is at 1.073263 1.971960 -4.432411 ESP Fit Center 7668 is at 0.692849 1.814387 -4.432411 ESP Fit Center 7669 is at 0.366180 1.563725 -4.432411 ESP Fit Center 7670 is at 0.115519 1.237057 -4.432411 ESP Fit Center 7671 is at -0.042054 0.856643 -4.432411 ESP Fit Center 7672 is at -0.095799 0.448408 -4.432411 ESP Fit Center 7673 is at -0.042054 0.040174 -4.432411 ESP Fit Center 7674 is at 0.115519 -0.340240 -4.432411 ESP Fit Center 7675 is at 0.366180 -0.666908 -4.432411 ESP Fit Center 7676 is at 0.692849 -0.917570 -4.432411 ESP Fit Center 7677 is at 1.073263 -1.075143 -4.432411 ESP Fit Center 7678 is at 1.481497 -1.128888 -4.432411 ESP Fit Center 7679 is at 1.889731 -1.075143 -4.432411 ESP Fit Center 7680 is at 2.270145 -0.917570 -4.432411 ESP Fit Center 7681 is at 2.596814 -0.666908 -4.432411 ESP Fit Center 7682 is at 2.847476 -0.340240 -4.432411 ESP Fit Center 7683 is at 3.005048 0.040174 -4.432411 ESP Fit Center 7684 is at 2.696372 0.448408 -4.641655 ESP Fit Center 7685 is at 2.623106 0.863920 -4.641655 ESP Fit Center 7686 is at 2.412145 1.229315 -4.641655 ESP Fit Center 7687 is at 2.088934 1.500521 -4.641655 ESP Fit Center 7688 is at 1.692458 1.644826 -4.641655 ESP Fit Center 7689 is at 1.270536 1.644826 -4.641655 ESP Fit Center 7690 is at 0.874060 1.500521 -4.641655 ESP Fit Center 7691 is at 0.550849 1.229315 -4.641655 ESP Fit Center 7692 is at 0.339889 0.863920 -4.641655 ESP Fit Center 7693 is at 0.266623 0.448408 -4.641655 ESP Fit Center 7694 is at 0.339889 0.032897 -4.641655 ESP Fit Center 7695 is at 0.550849 -0.332498 -4.641655 ESP Fit Center 7696 is at 0.874060 -0.603704 -4.641655 ESP Fit Center 7697 is at 1.270536 -0.748009 -4.641655 ESP Fit Center 7698 is at 1.692458 -0.748009 -4.641655 ESP Fit Center 7699 is 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7736 is at 2.050316 -3.769480 0.588589 ESP Fit Center 7737 is at 0.430862 -4.096760 0.242818 ESP Fit Center 7738 is at 0.832918 -4.183410 0.242818 ESP Fit Center 7739 is at 1.243834 -4.200865 0.242818 ESP Fit Center 7740 is at 1.651790 -4.148625 0.242818 ESP Fit Center 7741 is at 2.045049 -4.028191 0.242818 ESP Fit Center 7742 is at 2.412297 -3.843028 0.242818 ESP Fit Center 7743 is at 0.335484 -4.257057 -0.134227 ESP Fit Center 7744 is at 0.733182 -4.352536 -0.134227 ESP Fit Center 7745 is at 1.140920 -4.384626 -0.134227 ESP Fit Center 7746 is at 1.548658 -4.352536 -0.134227 ESP Fit Center 7747 is at 1.946356 -4.257057 -0.134227 ESP Fit Center 7748 is at 2.324222 -4.100540 -0.134227 ESP Fit Center 7749 is at 2.672951 -3.886839 -0.134227 ESP Fit Center 7750 is at 0.024245 -4.269130 -0.534123 ESP Fit Center 7751 is at 0.417574 -4.410397 -0.534123 ESP Fit Center 7752 is at 0.827857 -4.489966 -0.534123 ESP Fit Center 7753 is at 1.245479 -4.505974 -0.534123 ESP Fit Center 7754 is at 1.660649 -4.458045 -0.534123 ESP Fit Center 7755 is at 2.063638 -4.347302 -0.534123 ESP Fit Center 7756 is at 2.444998 -4.176340 -0.534123 ESP Fit Center 7757 is at 2.795793 -3.949168 -0.534123 ESP Fit Center 7758 is at 0.120825 -4.377338 -0.947938 ESP Fit Center 7759 is at 0.519603 -4.500344 -0.947938 ESP Fit Center 7760 is at 0.932261 -4.562542 -0.947938 ESP Fit Center 7761 is at 1.349579 -4.562542 -0.947938 ESP Fit Center 7762 is at 1.762236 -4.500344 -0.947938 ESP Fit Center 7763 is at 2.161014 -4.377338 -0.947938 ESP Fit Center 7764 is at 2.537005 -4.196270 -0.947938 ESP Fit Center 7765 is at 2.881810 -3.961186 -0.947938 ESP Fit Center 7766 is at 3.187726 -3.677338 -0.947938 ESP Fit Center 7767 is at 0.120825 -4.377338 -1.366426 ESP Fit Center 7768 is at 0.519603 -4.500344 -1.366426 ESP Fit Center 7769 is at 0.932261 -4.562542 -1.366426 ESP Fit Center 7770 is at 1.349579 -4.562542 -1.366426 ESP Fit Center 7771 is at 1.762236 -4.500344 -1.366426 ESP Fit Center 7772 is at 2.161014 -4.377338 -1.366426 ESP Fit Center 7773 is at 2.537005 -4.196270 -1.366426 ESP Fit Center 7774 is at 2.881810 -3.961186 -1.366426 ESP Fit Center 7775 is at 3.187726 -3.677338 -1.366426 ESP Fit Center 7776 is at 3.447919 -3.351065 -1.366426 ESP Fit Center 7777 is at 0.024245 -4.269130 -1.780241 ESP Fit Center 7778 is at 0.417574 -4.410397 -1.780241 ESP Fit Center 7779 is at 0.827857 -4.489966 -1.780241 ESP Fit Center 7780 is at 1.245479 -4.505974 -1.780241 ESP Fit Center 7781 is at 1.660649 -4.458045 -1.780241 ESP Fit Center 7782 is at 2.063638 -4.347302 -1.780241 ESP Fit Center 7783 is at 2.444998 -4.176340 -1.780241 ESP Fit Center 7784 is at 2.795793 -3.949168 -1.780241 ESP Fit Center 7785 is at 3.107798 -3.671110 -1.780241 ESP Fit Center 7786 is at 3.373702 -3.348683 -1.780241 ESP Fit Center 7787 is at 3.587271 -2.989445 -1.780241 ESP Fit Center 7788 is at -0.391111 -3.886839 -2.180137 ESP Fit Center 7789 is at -0.042382 -4.100540 -2.180137 ESP Fit Center 7790 is at 0.335484 -4.257057 -2.180137 ESP Fit Center 7791 is at 0.733182 -4.352536 -2.180137 ESP Fit Center 7792 is at 1.140920 -4.384626 -2.180137 ESP Fit Center 7793 is at 1.548658 -4.352536 -2.180137 ESP Fit Center 7794 is at 1.946356 -4.257057 -2.180137 ESP Fit Center 7795 is at 2.324222 -4.100540 -2.180137 ESP Fit Center 7796 is at 2.672951 -3.886839 -2.180137 ESP Fit Center 7797 is at 2.983956 -3.621215 -2.180137 ESP Fit Center 7798 is at 3.249579 -3.310210 -2.180137 ESP Fit Center 7799 is at 3.463281 -2.961481 -2.180137 ESP Fit Center 7800 is at 3.619798 -2.583615 -2.180137 ESP Fit Center 7801 is at 3.715277 -2.185917 -2.180137 ESP Fit Center 7802 is at -0.300989 -3.727769 -2.557182 ESP Fit Center 7803 is at 0.049234 -3.943409 -2.557182 ESP Fit Center 7804 is at 0.430862 -4.096760 -2.557182 ESP Fit Center 7805 is at 0.832918 -4.183410 -2.557182 ESP Fit Center 7806 is at 1.243834 -4.200865 -2.557182 ESP Fit Center 7807 is at 1.651790 -4.148625 -2.557182 ESP Fit Center 7808 is at 2.045049 -4.028191 -2.557182 ESP Fit Center 7809 is at 2.412297 -3.843028 -2.557182 ESP Fit Center 7810 is at 2.742971 -3.598463 -2.557182 ESP Fit Center 7811 is at 3.027556 -3.301532 -2.557182 ESP Fit Center 7812 is at 3.257867 -2.960777 -2.557182 ESP Fit Center 7813 is at 3.427276 -2.586000 -2.557182 ESP Fit Center 7814 is at 3.530911 -2.187984 -2.557182 ESP Fit Center 7815 is at -0.579851 -3.131408 -2.902953 ESP Fit Center 7816 is at -0.292654 -3.432612 -2.902953 ESP Fit Center 7817 is at 0.046356 -3.674020 -2.902953 ESP Fit Center 7818 is at 0.424926 -3.846907 -2.902953 ESP Fit Center 7819 is at 0.829374 -3.945025 -2.902953 ESP Fit Center 7820 is at 1.245083 -3.964828 -2.902953 ESP Fit Center 7821 is at 1.657026 -3.905599 -2.902953 ESP Fit Center 7822 is at 2.050316 -3.769480 -2.902953 ESP Fit Center 7823 is at 2.410739 -3.561390 -2.902953 ESP Fit Center 7824 is at 2.725266 -3.288851 -2.902953 ESP Fit Center 7825 is at 2.982532 -2.961711 -2.902953 ESP Fit Center 7826 is at 3.173236 -2.591796 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ESP Fit Center 7863 is at 0.932261 -2.139588 -3.925908 ESP Fit Center 7864 is at 1.349579 -2.139588 -3.925908 ESP Fit Center 7865 is at -0.277067 2.036775 2.592028 ESP Fit Center 7866 is at -0.084160 2.370899 2.454910 ESP Fit Center 7867 is at 0.035365 2.719816 2.266534 ESP Fit Center 7868 is at 0.205059 3.008544 2.030410 ESP Fit Center 7869 is at -0.175260 3.160077 2.030410 ESP Fit Center 7870 is at 0.229039 3.330198 1.750936 ESP Fit Center 7871 is at -0.164858 3.466527 1.750936 ESP Fit Center 7872 is at -0.165406 3.731722 1.433317 ESP Fit Center 7873 is at -0.265074 3.966684 1.083471 ESP Fit Center 7874 is at -0.785002 4.160720 -1.301363 ESP Fit Center 7875 is at -0.681762 3.999478 -1.676919 ESP Fit Center 7876 is at -1.098449 3.966684 -1.676919 ESP Fit Center 7877 is at -0.577742 3.784524 -2.026765 ESP Fit Center 7878 is at -0.993071 3.766881 -2.026765 ESP Fit Center 7879 is at -0.164858 3.466527 -2.344383 ESP Fit Center 7880 is at -0.577438 3.525847 -2.344383 ESP Fit Center 7881 is 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-0.681762 2.145213 -3.185476 ESP Fit Center 7900 is at -1.086457 2.036775 -3.185476 ESP Fit Center 7901 is at -1.382714 1.740518 -3.185476 ESP Fit Center 7902 is at -1.491152 1.335823 -3.185476 ESP Fit Center 7903 is at -0.886012 1.689594 -3.268782 ESP Fit Center 7904 is at -1.090262 1.335823 -3.268782 ESP Fit Center 7905 is at -1.921371 1.636636 3.048278 ESP Fit Center 7906 is at -1.512871 1.636636 3.020336 ESP Fit Center 7907 is at -1.717121 1.990408 3.020336 ESP Fit Center 7908 is at -2.125621 1.282865 3.020336 ESP Fit Center 7909 is at -1.717121 1.282865 3.020336 ESP Fit Center 7910 is at -1.111981 1.636636 2.937030 ESP Fit Center 7911 is at -1.220419 2.041331 2.937030 ESP Fit Center 7912 is at -1.516676 2.337589 2.937030 ESP Fit Center 7913 is at -1.921371 2.446027 2.937030 ESP Fit Center 7914 is at -1.516676 0.935684 2.937030 ESP Fit Center 7915 is at -1.220419 1.231941 2.937030 ESP Fit Center 7916 is at -0.726168 1.636636 2.799912 ESP Fit Center 7917 is at -0.798248 2.045420 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Center 8518 is at -7.115490 -0.619114 1.669314 ESP Fit Center 8519 is at -7.275442 -1.005274 1.669314 ESP Fit Center 8520 is at -7.373017 -1.411701 1.669314 ESP Fit Center 8521 is at -7.405811 -1.828388 1.669314 ESP Fit Center 8522 is at -7.373017 -2.245076 1.669314 ESP Fit Center 8523 is at -7.275442 -2.651503 1.669314 ESP Fit Center 8524 is at -3.919040 -4.361675 1.669314 ESP Fit Center 8525 is at -3.532881 -4.201723 1.669314 ESP Fit Center 8526 is at -6.979544 -0.100733 1.293758 ESP Fit Center 8527 is at -7.207249 -0.444910 1.293758 ESP Fit Center 8528 is at -7.382416 -0.818574 1.293758 ESP Fit Center 8529 is at -7.501310 -1.213760 1.293758 ESP Fit Center 8530 is at -7.561397 -1.622046 1.293758 ESP Fit Center 8531 is at -7.561397 -2.034730 1.293758 ESP Fit Center 8532 is at -7.501310 -2.443016 1.293758 ESP Fit Center 8533 is at -3.636587 -4.430007 1.293758 ESP Fit Center 8534 is at -7.118442 -0.101915 0.899487 ESP Fit Center 8535 is at -7.335595 -0.449432 0.899487 ESP Fit Center 8536 is at -7.502269 -0.823789 0.899487 ESP Fit Center 8537 is at -7.615221 -1.217699 0.899487 ESP Fit Center 8538 is at -7.672252 -1.623496 0.899487 ESP Fit Center 8539 is at -7.672252 -2.033281 0.899487 ESP Fit Center 8540 is at -7.615221 -2.439077 0.899487 ESP Fit Center 8541 is at -7.384823 -0.423257 0.493846 ESP Fit Center 8542 is at -7.554661 -0.804720 0.493846 ESP Fit Center 8543 is at -7.669757 -1.206107 0.493846 ESP Fit Center 8544 is at -7.727871 -1.619607 0.493846 ESP Fit Center 8545 is at -7.727871 -2.037170 0.493846 ESP Fit Center 8546 is at -7.669757 -2.450669 0.493846 ESP Fit Center 8547 is at -7.669757 -1.206107 0.084391 ESP Fit Center 8548 is at -7.727871 -1.619607 0.084391 ESP Fit Center 8549 is at -7.727871 -2.037170 0.084391 ESP Fit Center 8550 is at -7.669757 -2.450669 0.084391 ESP Fit Center 8551 is at -7.672252 -1.623496 -0.321249 ESP Fit Center 8552 is at -7.672252 -2.033281 -0.321249 ESP Fit Center 8553 is at -7.615221 -2.439077 -0.321249 ESP Fit Center 8554 is 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Center 8627 is at -7.109431 0.665094 2.149474 ESP Fit Center 8628 is at -6.804620 0.375349 2.149474 ESP Fit Center 8629 is at -6.447723 0.152894 2.149474 ESP Fit Center 8630 is at -6.660013 3.972060 1.770323 ESP Fit Center 8631 is at -7.009264 3.723359 1.770323 ESP Fit Center 8632 is at -7.305137 3.413057 1.770323 ESP Fit Center 8633 is at -7.536938 3.052367 1.770323 ESP Fit Center 8634 is at -7.696290 2.654327 1.770323 ESP Fit Center 8635 is at -7.777432 2.233322 1.770323 ESP Fit Center 8636 is at -7.777432 1.804570 1.770323 ESP Fit Center 8637 is at -7.696290 1.383565 1.770323 ESP Fit Center 8638 is at -7.536938 0.985525 1.770323 ESP Fit Center 8639 is at -7.305137 0.624835 1.770323 ESP Fit Center 8640 is at -7.009264 0.314532 1.770323 ESP Fit Center 8641 is at -6.660013 0.065831 1.770323 ESP Fit Center 8642 is at -6.834448 3.991492 1.366230 ESP Fit Center 8643 is at -7.165735 3.727299 1.366230 ESP Fit Center 8644 is at -7.444524 3.408199 1.366230 ESP Fit Center 8645 is at -7.661856 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Center 8664 is at -7.370888 0.476256 0.949474 ESP Fit Center 8665 is at -7.075072 0.180439 0.949474 ESP Fit Center 8666 is at -6.834448 3.991492 0.532719 ESP Fit Center 8667 is at -7.165735 3.727299 0.532719 ESP Fit Center 8668 is at -7.444524 3.408199 0.532719 ESP Fit Center 8669 is at -7.661856 3.044447 0.532719 ESP Fit Center 8670 is at -7.810745 2.647734 0.532719 ESP Fit Center 8671 is at -7.886405 2.230812 0.532719 ESP Fit Center 8672 is at -7.886405 1.807080 0.532719 ESP Fit Center 8673 is at -7.810745 1.390158 0.532719 ESP Fit Center 8674 is at -7.661856 0.993445 0.532719 ESP Fit Center 8675 is at -7.444524 0.629693 0.532719 ESP Fit Center 8676 is at -7.165735 0.310592 0.532719 ESP Fit Center 8677 is at -7.009264 3.723359 0.128626 ESP Fit Center 8678 is at -7.305137 3.413057 0.128626 ESP Fit Center 8679 is at -7.536938 3.052367 0.128626 ESP Fit Center 8680 is at -7.696290 2.654327 0.128626 ESP Fit Center 8681 is at -7.777432 2.233322 0.128626 ESP Fit Center 8682 is at -7.777432 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Fit Center 8719 is at -3.601880 5.008377 -0.576359 ESP Fit Center 8720 is at -4.014988 5.102666 -0.576359 ESP Fit Center 8721 is at -4.438294 5.121677 -0.576359 ESP Fit Center 8722 is at -4.858191 5.064798 -0.576359 ESP Fit Center 8723 is at -5.261184 4.933857 -0.576359 ESP Fit Center 8724 is at -5.634320 4.733064 -0.576359 ESP Fit Center 8725 is at -5.965607 4.468872 -0.576359 ESP Fit Center 8726 is at -6.244397 4.149771 -0.576359 ESP Fit Center 8727 is at -3.024073 4.597601 -0.980452 ESP Fit Center 8728 is at -3.395384 4.811977 -0.980452 ESP Fit Center 8729 is at -3.800556 4.952208 -0.980452 ESP Fit Center 8730 is at -4.224944 5.013226 -0.980452 ESP Fit Center 8731 is at -4.653211 4.992825 -0.980452 ESP Fit Center 8732 is at -5.069878 4.891743 -0.980452 ESP Fit Center 8733 is at -5.459885 4.713633 -0.980452 ESP Fit Center 8734 is at -5.809137 4.464932 -0.980452 ESP Fit Center 8735 is at -6.105010 4.154629 -0.980452 ESP Fit Center 8736 is at -6.336811 3.793939 -0.980452 ESP Fit Center 8737 is at -2.900263 4.266972 -1.359603 ESP Fit Center 8738 is at -3.232823 4.524392 -1.359603 ESP Fit Center 8739 is at -3.610393 4.709599 -1.359603 ESP Fit Center 8740 is at -4.017517 4.815011 -1.359603 ESP Fit Center 8741 is at -4.437526 4.836311 -1.359603 ESP Fit Center 8742 is at -4.853225 4.772629 -1.359603 ESP Fit Center 8743 is at -5.247596 4.626570 -1.359603 ESP Fit Center 8744 is at -5.604492 4.404115 -1.359603 ESP Fit Center 8745 is at -5.909303 4.114370 -1.359603 ESP Fit Center 8746 is at -6.149549 3.769199 -1.359603 ESP Fit Center 8747 is at -6.315395 3.382733 -1.359603 ESP Fit Center 8748 is at -2.923876 3.942287 -1.702294 ESP Fit Center 8749 is at -3.234374 4.235227 -1.702294 ESP Fit Center 8750 is at -3.604059 4.448665 -1.702294 ESP Fit Center 8751 is at -4.013001 4.571094 -1.702294 ESP Fit Center 8752 is at -4.439154 4.595914 -1.702294 ESP Fit Center 8753 is at -4.859544 4.521788 -1.702294 ESP Fit Center 8754 is at -5.251507 4.352712 -1.702294 ESP Fit Center 8755 is at 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3.942287 -2.238064 ESP Fit Center 8774 is at -4.540632 3.942287 -2.238064 ESP Fit Center 8775 is at -4.932254 3.799749 -2.238064 ESP Fit Center 8776 is at -5.251507 3.531863 -2.238064 ESP Fit Center 8777 is at -5.459885 3.170942 -2.238064 ESP Fit Center 8778 is at -5.532254 2.760518 -2.238064 ESP Fit Center 8779 is at -5.459885 2.350094 -2.238064 ESP Fit Center 8780 is at -5.251507 1.989173 -2.238064 ESP Fit Center 8781 is at -4.932254 1.721288 -2.238064 ESP Fit Center 8782 is at -3.511406 2.760518 -2.414866 ESP Fit Center 8783 is at -3.621378 3.170942 -2.414866 ESP Fit Center 8784 is at -3.921830 3.471394 -2.414866 ESP Fit Center 8785 is at -4.332254 3.581366 -2.414866 ESP Fit Center 8786 is at -4.742678 3.471394 -2.414866 ESP Fit Center 8787 is at -5.043129 3.170942 -2.414866 ESP Fit Center 8788 is at -5.153102 2.760518 -2.414866 ESP Fit Center 8789 is at -5.043129 2.350094 -2.414866 ESP Fit Center 8790 is at -4.742678 2.049643 -2.414866 ESP Fit Center 8791 is at -4.332254 1.939670 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Center 8810 is at -3.514952 3.225295 3.832859 ESP Fit Center 8811 is at -3.925376 3.335268 3.832859 ESP Fit Center 8812 is at -4.335800 3.225295 3.832859 ESP Fit Center 8813 is at -4.636252 2.924844 3.832859 ESP Fit Center 8814 is at -4.746225 2.514420 3.832859 ESP Fit Center 8815 is at -4.636252 2.103996 3.832859 ESP Fit Center 8816 is at -4.335800 1.803544 3.832859 ESP Fit Center 8817 is at -3.925376 1.693571 3.832859 ESP Fit Center 8818 is at -3.514952 1.803544 3.832859 ESP Fit Center 8819 is at -3.214501 2.103996 3.832859 ESP Fit Center 8820 is at -2.725376 2.514420 3.656058 ESP Fit Center 8821 is at -2.797745 2.924844 3.656058 ESP Fit Center 8822 is at -3.006123 3.285765 3.656058 ESP Fit Center 8823 is at -3.325376 3.553650 3.656058 ESP Fit Center 8824 is at -3.716998 3.696189 3.656058 ESP Fit Center 8825 is at -4.133754 3.696189 3.656058 ESP Fit Center 8826 is at -4.525376 3.553650 3.656058 ESP Fit Center 8827 is at -4.844630 3.285765 3.656058 ESP Fit Center 8828 is at -5.053007 2.924844 3.656058 ESP Fit Center 8829 is at -5.125376 2.514420 3.656058 ESP Fit Center 8830 is at -5.053007 2.103996 3.656058 ESP Fit Center 8831 is at -4.525376 1.475189 3.656058 ESP Fit Center 8832 is at -4.133754 1.332650 3.656058 ESP Fit Center 8833 is at -3.716998 1.332650 3.656058 ESP Fit Center 8834 is at -3.325376 1.475189 3.656058 ESP Fit Center 8835 is at -3.006123 1.743075 3.656058 ESP Fit Center 8836 is at -2.797745 2.103996 3.656058 ESP Fit Center 8837 is at -2.382686 2.514420 3.416104 ESP Fit Center 8838 is at -2.439893 2.930633 3.416104 ESP Fit Center 8839 is at -2.607272 3.315977 3.416104 ESP Fit Center 8840 is at -2.872408 3.641873 3.416104 ESP Fit Center 8841 is at -3.215638 3.884152 3.416104 ESP Fit Center 8842 is at -3.611507 4.024843 3.416104 ESP Fit Center 8843 is at -4.030653 4.053514 3.416104 ESP Fit Center 8844 is at -4.441992 3.968036 3.416104 ESP Fit Center 8845 is at -4.815015 3.774751 3.416104 ESP Fit Center 8846 is at -5.122058 3.487993 3.416104 ESP Fit Center 8847 is at -5.340349 3.129029 3.416104 ESP Fit Center 8848 is at -3.611507 1.003996 3.416104 ESP Fit Center 8849 is at -3.215638 1.144688 3.416104 ESP Fit Center 8850 is at -2.872408 1.386966 3.416104 ESP Fit Center 8851 is at -2.607272 1.712863 3.416104 ESP Fit Center 8852 is at -2.439893 2.098207 3.416104 ESP Fit Center 8853 is at -2.086870 2.514420 3.120287 ESP Fit Center 8854 is at -2.136427 2.938409 3.120287 ESP Fit Center 8855 is at -2.282427 3.339540 3.120287 ESP Fit Center 8856 is at -2.516998 3.696189 3.120287 ESP Fit Center 8857 is at -2.827496 3.989129 3.120287 ESP Fit Center 8858 is at -3.197181 4.202566 3.120287 ESP Fit Center 8859 is at -3.606123 4.324995 3.120287 ESP Fit Center 8860 is at -4.032276 4.349816 3.120287 ESP Fit Center 8861 is at -4.452666 4.275690 3.120287 ESP Fit Center 8862 is at -4.844630 4.106613 3.120287 ESP Fit Center 8863 is at -5.187036 3.851701 3.120287 ESP Fit Center 8864 is at -3.197181 0.826273 3.120287 ESP Fit Center 8865 is at -2.827496 1.039711 3.120287 ESP Fit Center 8866 is at -2.516998 1.332650 3.120287 ESP Fit Center 8867 is at -2.282427 1.689299 3.120287 ESP Fit Center 8868 is at -2.136427 2.090431 3.120287 ESP Fit Center 8869 is at -1.889461 2.932811 2.777597 ESP Fit Center 8870 is at -2.015358 3.334073 2.777597 ESP Fit Center 8871 is at -2.219451 3.701778 2.777597 ESP Fit Center 8872 is at -2.493385 4.020873 2.777597 ESP Fit Center 8873 is at -2.825945 4.278294 2.777597 ESP Fit Center 8874 is at -3.203516 4.463501 2.777597 ESP Fit Center 8875 is at -3.610640 4.568913 2.777597 ESP Fit Center 8876 is at -4.030649 4.590213 2.777597 ESP Fit Center 8877 is at -4.446348 4.526530 2.777597 ESP Fit Center 8878 is at -4.840718 4.380471 2.777597 ESP Fit Center 8879 is at -5.197615 4.158016 2.777597 ESP Fit Center 8880 is at -2.028129 3.733707 2.398445 ESP Fit Center 8881 is at -2.293166 4.070729 2.398445 ESP Fit Center 8882 is at -2.617196 4.351502 2.398445 ESP Fit Center 8883 is at -2.988506 4.565878 2.398445 ESP Fit Center 8884 is at -3.393678 4.706110 2.398445 ESP Fit Center 8885 is at -3.818067 4.767128 2.398445 ESP Fit Center 8886 is at -4.246334 4.746727 2.398445 ESP Fit Center 8887 is at -4.663000 4.645644 2.398445 ESP Fit Center 8888 is at -2.451734 4.362309 1.994353 ESP Fit Center 8889 is at -2.805369 4.595741 1.994353 ESP Fit Center 8890 is at -3.195003 4.762279 1.994353 ESP Fit Center 8891 is at -3.608111 4.856568 1.994353 ESP Fit Center 8892 is at -4.031416 4.875578 1.994353 ESP Fit Center 8893 is at -4.451313 4.818699 1.994353 ESP Fit Center 8894 is at -2.725376 4.592881 1.577597 ESP Fit Center 8895 is at -3.104528 4.769682 1.577597 ESP Fit Center 8896 is at -3.508621 4.877958 1.577597 ESP Fit Center 8897 is at -6.153646 -3.585796 2.355251 ESP Fit Center 8898 is at -5.834393 -3.853682 2.355251 ESP Fit Center 8899 is at -5.442771 -3.996221 2.355251 ESP Fit Center 8900 is at -5.026015 -3.996221 2.355251 ESP Fit Center 8901 is at -6.649366 -3.429061 2.115296 ESP Fit Center 8902 is at -6.431075 -3.788025 2.115296 ESP Fit Center 8903 is at -6.124032 -4.074783 2.115296 ESP Fit Center 8904 is at -5.751008 -4.268068 2.115296 ESP Fit Center 8905 is at -5.339670 -4.353545 2.115296 ESP Fit Center 8906 is at -4.920523 -4.324875 2.115296 ESP Fit Center 8907 is at -7.060468 -3.027889 1.819480 ESP Fit Center 8908 is at -6.962024 -3.443258 1.819480 ESP Fit Center 8909 is at -6.770443 -3.824727 1.819480 ESP Fit Center 8910 is at -6.496053 -4.151733 1.819480 ESP Fit Center 8911 is at -6.153646 -4.406645 1.819480 ESP Fit Center 8912 is at -5.761682 -4.575721 1.819480 ESP Fit Center 8913 is at -5.341292 -4.649847 1.819480 ESP Fit Center 8914 is at -4.915139 -4.625027 1.819480 ESP Fit Center 8915 is at -4.506198 -4.502598 1.819480 ESP Fit Center 8916 is at -7.302190 -3.024726 1.476790 ESP Fit Center 8917 is at -7.217534 -3.436666 1.476790 ESP Fit Center 8918 is at -7.051688 -3.823132 1.476790 ESP Fit Center 8919 is at -6.811442 -4.168304 1.476790 ESP Fit Center 8920 is at -6.506631 -4.458048 1.476790 ESP Fit Center 8921 is at -6.149735 -4.680503 1.476790 ESP Fit Center 8922 is at -5.755364 -4.826562 1.476790 ESP Fit Center 8923 is at -5.339665 -4.890245 1.476790 ESP Fit Center 8924 is at -4.919656 -4.868944 1.476790 ESP Fit Center 8925 is at -4.512532 -4.763532 1.476790 ESP Fit Center 8926 is at -4.134962 -4.578325 1.476790 ESP Fit Center 8927 is at -7.479443 -3.028828 1.097638 ESP Fit Center 8928 is at -7.398301 -3.449832 1.097638 ESP Fit Center 8929 is at -7.238950 -3.847872 1.097638 ESP Fit Center 8930 is at -7.007149 -4.208562 1.097638 ESP Fit Center 8931 is at -6.711276 -4.518865 1.097638 ESP Fit Center 8932 is at -6.362024 -4.767566 1.097638 ESP Fit Center 8933 is at -5.972017 -4.945676 1.097638 ESP Fit Center 8934 is at -5.555350 -5.046758 1.097638 ESP Fit Center 8935 is at -5.127083 -5.067159 1.097638 ESP Fit Center 8936 is at -4.702695 -5.006141 1.097638 ESP Fit Center 8937 is at -4.297523 -4.865910 1.097638 ESP Fit Center 8938 is at -3.926212 -4.651534 1.097638 ESP Fit Center 8939 is at -7.588416 -3.026317 0.693545 ESP Fit Center 8940 is at -7.512756 -3.443240 0.693545 ESP Fit Center 8941 is at -7.363867 -3.839952 0.693545 ESP Fit Center 8942 is at -7.146536 -4.203704 0.693545 ESP Fit Center 8943 is at -6.867746 -4.522805 0.693545 ESP Fit Center 8944 is at -6.536459 -4.786997 0.693545 ESP Fit Center 8945 is at -6.163323 -4.987791 0.693545 ESP Fit Center 8946 is at -5.760330 -5.118731 0.693545 ESP Fit Center 8947 is at -5.340433 -5.175610 0.693545 ESP Fit Center 8948 is at -4.917127 -5.156599 0.693545 ESP Fit Center 8949 is at -4.504019 -5.062310 0.693545 ESP Fit Center 8950 is at -4.114386 -4.895773 0.693545 ESP Fit Center 8951 is at -3.760751 -4.662340 0.693545 ESP Fit Center 8952 is at -7.634393 -2.814451 0.276790 ESP Fit Center 8953 is at -7.597931 -3.231207 0.276790 ESP Fit Center 8954 is at -7.489655 -3.635300 0.276790 ESP Fit Center 8955 is at -7.312854 -4.014451 0.276790 ESP Fit Center 8956 is at -7.072899 -4.357142 0.276790 ESP Fit Center 8957 is at -6.777083 -4.652958 0.276790 ESP Fit Center 8958 is at -6.434393 -4.892912 0.276790 ESP Fit Center 8959 is at -6.055241 -5.069714 0.276790 ESP Fit Center 8960 is at -5.651148 -5.177990 0.276790 ESP Fit Center 8961 is at -5.234393 -5.214451 0.276790 ESP Fit Center 8962 is at -4.817637 -5.177990 0.276790 ESP Fit Center 8963 is at -4.413544 -5.069714 0.276790 ESP Fit Center 8964 is at -4.034393 -4.892912 0.276790 ESP Fit Center 8965 is at -7.588416 -3.026317 -0.139966 ESP Fit Center 8966 is at -7.512756 -3.443240 -0.139966 ESP Fit Center 8967 is at -7.363867 -3.839952 -0.139966 ESP Fit Center 8968 is at -7.146536 -4.203704 -0.139966 ESP Fit Center 8969 is at -6.867746 -4.522805 -0.139966 ESP Fit Center 8970 is at -6.536459 -4.786997 -0.139966 ESP Fit Center 8971 is at -6.163323 -4.987791 -0.139966 ESP Fit Center 8972 is at -5.760330 -5.118731 -0.139966 ESP Fit Center 8973 is at -5.340433 -5.175610 -0.139966 ESP Fit Center 8974 is at -4.917127 -5.156599 -0.139966 ESP Fit Center 8975 is at -4.504019 -5.062310 -0.139966 ESP Fit Center 8976 is at -4.114386 -4.895773 -0.139966 ESP Fit Center 8977 is at -7.479443 -3.028828 -0.544059 ESP Fit Center 8978 is at -7.398301 -3.449832 -0.544059 ESP Fit Center 8979 is at -7.238950 -3.847872 -0.544059 ESP Fit Center 8980 is at -7.007149 -4.208562 -0.544059 ESP Fit Center 8981 is at -6.711276 -4.518865 -0.544059 ESP Fit Center 8982 is at -6.362024 -4.767566 -0.544059 ESP Fit Center 8983 is at -5.972017 -4.945676 -0.544059 ESP Fit Center 8984 is at -5.555350 -5.046758 -0.544059 ESP Fit Center 8985 is at -5.127083 -5.067159 -0.544059 ESP Fit Center 8986 is at -4.702695 -5.006141 -0.544059 ESP Fit Center 8987 is at -4.297523 -4.865910 -0.544059 ESP Fit Center 8988 is at -7.302190 -3.024726 -0.923210 ESP Fit Center 8989 is at -7.217534 -3.436666 -0.923210 ESP Fit Center 8990 is at -7.051688 -3.823132 -0.923210 ESP Fit Center 8991 is at -6.811442 -4.168304 -0.923210 ESP Fit Center 8992 is at -6.506631 -4.458048 -0.923210 ESP Fit Center 8993 is at -6.149735 -4.680503 -0.923210 ESP Fit Center 8994 is at -5.755364 -4.826562 -0.923210 ESP Fit Center 8995 is at -5.339665 -4.890245 -0.923210 ESP Fit Center 8996 is at -4.919656 -4.868944 -0.923210 ESP Fit Center 8997 is at -4.512532 -4.763532 -0.923210 ESP Fit Center 8998 is at -4.134962 -4.578325 -0.923210 ESP Fit Center 8999 is at -7.060468 -3.027889 -1.265901 ESP Fit Center 9000 is at -6.962024 -3.443258 -1.265901 ESP Fit Center 9001 is at -6.770443 -3.824727 -1.265901 ESP Fit Center 9002 is at -6.496053 -4.151733 -1.265901 ESP Fit Center 9003 is at -6.153646 -4.406645 -1.265901 ESP Fit Center 9004 is at -5.761682 -4.575721 -1.265901 ESP Fit Center 9005 is at -5.341292 -4.649847 -1.265901 ESP Fit Center 9006 is at -4.915139 -4.625027 -1.265901 ESP Fit Center 9007 is at -4.506198 -4.502598 -1.265901 ESP Fit Center 9008 is at -6.649366 -3.429061 -1.561717 ESP Fit Center 9009 is at -6.431075 -3.788025 -1.561717 ESP Fit Center 9010 is at -6.124032 -4.074783 -1.561717 ESP Fit Center 9011 is at -5.751008 -4.268068 -1.561717 ESP Fit Center 9012 is at -5.339670 -4.353545 -1.561717 ESP Fit Center 9013 is at -4.920523 -4.324875 -1.561717 ESP Fit Center 9014 is at -4.524655 -4.184183 -1.561717 ESP Fit Center 9015 is at -6.153646 -3.585796 -1.801671 ESP Fit Center 9016 is at -5.834393 -3.853682 -1.801671 ESP Fit Center 9017 is at -5.442771 -3.996221 -1.801671 ESP Fit Center 9018 is at -5.026015 -3.996221 -1.801671 ESP Fit Center 9019 is at -7.254788 -0.120531 0.405811 ESP Fit Center 9020 is at -7.162373 0.235301 0.001718 ESP Fit Center 9021 is at -7.379705 -0.128451 0.001718 ESP Fit Center 9022 is at -7.528594 -0.525164 0.001718 ESP Fit Center 9023 is at -7.604254 -0.942086 0.001718 ESP Fit Center 9024 is at -7.088737 0.388738 -0.415038 ESP Fit Center 9025 is at -7.328692 0.046048 -0.415038 ESP Fit Center 9026 is at -7.505493 -0.333104 -0.415038 ESP Fit Center 9027 is at -7.613769 -0.737197 -0.415038 ESP Fit Center 9028 is at -7.650231 -1.153952 -0.415038 ESP Fit Center 9029 is at -6.883584 0.554401 -0.831793 ESP Fit Center 9030 is at -7.162373 0.235301 -0.831793 ESP Fit Center 9031 is at -7.379705 -0.128451 -0.831793 ESP Fit Center 9032 is at -7.528594 -0.525164 -0.831793 ESP Fit Center 9033 is at -7.604254 -0.942086 -0.831793 ESP Fit Center 9034 is at -7.604254 -1.365818 -0.831793 ESP Fit Center 9035 is at -7.528594 -1.782741 -0.831793 ESP Fit Center 9036 is at -6.377862 0.799162 -1.235886 ESP Fit Center 9037 is at -6.727113 0.550461 -1.235886 ESP Fit Center 9038 is at -7.022986 0.240158 -1.235886 ESP Fit Center 9039 is at -7.254788 -0.120531 -1.235886 ESP Fit Center 9040 is at -7.414139 -0.518571 -1.235886 ESP Fit Center 9041 is at -7.495281 -0.939576 -1.235886 ESP Fit Center 9042 is at -7.495281 -1.368329 -1.235886 ESP Fit Center 9043 is at -7.414139 -1.789333 -1.235886 ESP Fit Center 9044 is at -6.165573 0.712099 -1.615038 ESP Fit Center 9045 is at -6.522469 0.489644 -1.615038 ESP Fit Center 9046 is at -6.827280 0.199900 -1.615038 ESP Fit Center 9047 is at -7.067526 -0.145271 -1.615038 ESP Fit Center 9048 is at -7.233372 -0.531738 -1.615038 ESP Fit Center 9049 is at -7.318028 -0.943678 -1.615038 ESP Fit Center 9050 is at -7.318028 -1.364227 -1.615038 ESP Fit Center 9051 is at -7.233372 -1.776167 -1.615038 ESP Fit Center 9052 is at -7.067526 -2.162633 -1.615038 ESP Fit Center 9053 is at -5.777520 0.607318 -1.957728 ESP Fit Center 9054 is at -6.169484 0.438241 -1.957728 ESP Fit Center 9055 is at -6.511890 0.183329 -1.957728 ESP Fit Center 9056 is at -6.786280 -0.143676 -1.957728 ESP Fit Center 9057 is at -6.977862 -0.525146 -1.957728 ESP Fit Center 9058 is at -7.076306 -0.940515 -1.957728 ESP Fit Center 9059 is at -7.076306 -1.367390 -1.957728 ESP Fit Center 9060 is at -6.977862 -1.782759 -1.957728 ESP Fit Center 9061 is at -6.786280 -2.164228 -1.957728 ESP Fit Center 9062 is at -4.936361 0.356471 -2.253544 ESP Fit Center 9063 is at -5.355507 0.385142 -2.253544 ESP Fit Center 9064 is at -5.766846 0.299664 -2.253544 ESP Fit Center 9065 is at -6.139870 0.106379 -2.253544 ESP Fit Center 9066 is at -6.446913 -0.180379 -2.253544 ESP Fit Center 9067 is at -6.665203 -0.539343 -2.253544 ESP Fit Center 9068 is at -6.778552 -0.943889 -2.253544 ESP Fit Center 9069 is at -6.778552 -1.364015 -2.253544 ESP Fit Center 9070 is at -6.665203 -1.768562 -2.253544 ESP Fit Center 9071 is at -6.446913 -2.127525 -2.253544 ESP Fit Center 9072 is at -4.330977 -0.382607 -2.493499 ESP Fit Center 9073 is at -4.650231 -0.114722 -2.493499 ESP Fit Center 9074 is at -5.041853 0.027817 -2.493499 ESP Fit Center 9075 is at -5.458608 0.027817 -2.493499 ESP Fit Center 9076 is at -5.850231 -0.114722 -2.493499 ESP Fit Center 9077 is at -6.169484 -0.382607 -2.493499 ESP Fit Center 9078 is at -6.377862 -0.743528 -2.493499 ESP Fit Center 9079 is at -6.450231 -1.153952 -2.493499 ESP Fit Center 9080 is at -6.377862 -1.564376 -2.493499 ESP Fit Center 9081 is at -6.169484 -1.925297 -2.493499 ESP Fit Center 9082 is at -5.850231 -2.193183 -2.493499 ESP Fit Center 9083 is at -4.429382 -1.153952 -2.670300 ESP Fit Center 9084 is at -4.539355 -0.743528 -2.670300 ESP Fit Center 9085 is at -4.839806 -0.443077 -2.670300 ESP Fit Center 9086 is at -5.250231 -0.333104 -2.670300 ESP Fit Center 9087 is at -5.660655 -0.443077 -2.670300 ESP Fit Center 9088 is at -5.961106 -0.743528 -2.670300 ESP Fit Center 9089 is at -6.071079 -1.153952 -2.670300 ESP Fit Center 9090 is at -5.961106 -1.564376 -2.670300 ESP Fit Center 9091 is at -5.660655 -1.864828 -2.670300 ESP Fit Center 9092 is at -5.250231 -1.974801 -2.670300 ESP Fit Center 9093 is at -4.833475 -1.153952 -2.778576 ESP Fit Center 9094 is at -5.041853 -0.793031 -2.778576 ESP Fit Center 9095 is at -5.458608 -0.793031 -2.778576 ESP Fit Center 9096 is at -5.666986 -1.153952 -2.778576 ESP Fit Center 9097 is at -5.458608 -1.514873 -2.778576 ESP Fit Center 9098 is at -5.041853 -1.514873 -2.778576 ESP Fit Center 9099 is at -5.250231 -1.153952 -2.815038 ESP Fit Center 9100 is at -4.795791 -1.403928 3.702827 ESP Fit Center 9101 is at -4.379036 -1.403928 3.666366 ESP Fit Center 9102 is at -4.587413 -1.043007 3.666366 ESP Fit Center 9103 is at -5.004169 -1.043007 3.666366 ESP Fit Center 9104 is at -5.212547 -1.403928 3.666366 ESP Fit Center 9105 is at -5.004169 -1.764849 3.666366 ESP Fit Center 9106 is at -4.587413 -1.764849 3.666366 ESP Fit Center 9107 is at -3.974943 -1.403928 3.558090 ESP Fit Center 9108 is at -4.084916 -0.993504 3.558090 ESP Fit Center 9109 is at -4.385367 -0.693052 3.558090 ESP Fit Center 9110 is at -4.795791 -0.583080 3.558090 ESP Fit Center 9111 is at -5.206215 -0.693052 3.558090 ESP Fit Center 9112 is at -5.506667 -0.993504 3.558090 ESP Fit Center 9113 is at -5.616640 -1.403928 3.558090 ESP Fit Center 9114 is at -5.506667 -1.814352 3.558090 ESP Fit Center 9115 is at -5.206215 -2.114803 3.558090 ESP Fit Center 9116 is at -4.795791 -2.224776 3.558090 ESP Fit Center 9117 is at -4.385367 -2.114803 3.558090 ESP Fit Center 9118 is at -4.084916 -1.814352 3.558090 ESP Fit Center 9119 is at -3.595791 -1.403928 3.381288 ESP Fit Center 9120 is at -3.668160 -0.993504 3.381288 ESP Fit Center 9121 is at -3.876538 -0.632583 3.381288 ESP Fit Center 9122 is at -4.195791 -0.364697 3.381288 ESP Fit Center 9123 is at -4.587413 -0.222159 3.381288 ESP Fit Center 9124 is at -5.004169 -0.222159 3.381288 ESP Fit Center 9125 is at -5.395791 -0.364697 3.381288 ESP Fit Center 9126 is at -5.715045 -0.632583 3.381288 ESP Fit Center 9127 is at -5.923422 -0.993504 3.381288 ESP Fit Center 9128 is at -5.995791 -1.403928 3.381288 ESP Fit Center 9129 is at -5.923422 -1.814352 3.381288 ESP Fit Center 9130 is at -5.715045 -2.175273 3.381288 ESP Fit Center 9131 is at -5.395791 -2.443158 3.381288 ESP Fit Center 9132 is at -5.004169 -2.585697 3.381288 ESP Fit Center 9133 is at -4.587413 -2.585697 3.381288 ESP Fit Center 9134 is at -4.195791 -2.443158 3.381288 ESP Fit Center 9135 is at -3.876538 -2.175273 3.381288 ESP Fit Center 9136 is at -3.668160 -1.814352 3.381288 ESP Fit Center 9137 is at -3.253101 -1.403928 3.141334 ESP Fit Center 9138 is at -3.310308 -0.987715 3.141334 ESP Fit Center 9139 is at -3.477687 -0.602371 3.141334 ESP Fit Center 9140 is at -3.742823 -0.276474 3.141334 ESP Fit Center 9141 is at -4.086053 -0.034196 3.141334 ESP Fit Center 9142 is at -4.481922 0.106496 3.141334 ESP Fit Center 9143 is at -4.901068 0.135166 3.141334 ESP Fit Center 9144 is at -5.312407 0.049689 3.141334 ESP Fit Center 9145 is at -5.685430 -0.143596 3.141334 ESP Fit Center 9146 is at -5.992473 -0.430355 3.141334 ESP Fit Center 9147 is at -6.210764 -0.789318 3.141334 ESP Fit Center 9148 is at -6.324113 -1.193865 3.141334 ESP Fit Center 9149 is at -6.324113 -1.613991 3.141334 ESP Fit Center 9150 is at -6.210764 -2.018537 3.141334 ESP Fit Center 9151 is at -5.992473 -2.377501 3.141334 ESP Fit Center 9152 is at -5.685430 -2.664259 3.141334 ESP Fit Center 9153 is at -5.312407 -2.857545 3.141334 ESP Fit Center 9154 is at -4.901068 -2.943022 3.141334 ESP Fit Center 9155 is at -4.481922 -2.914351 3.141334 ESP Fit Center 9156 is at -4.086053 -2.773660 3.141334 ESP Fit Center 9157 is at -3.742823 -2.531381 3.141334 ESP Fit Center 9158 is at -3.477687 -2.205485 3.141334 ESP Fit Center 9159 is at -3.310308 -1.820141 3.141334 ESP Fit Center 9160 is at -2.957285 -1.403928 2.845518 ESP Fit Center 9161 is at -3.006842 -0.979939 2.845518 ESP Fit Center 9162 is at -5.715045 0.188266 2.845518 ESP Fit Center 9163 is at -6.057451 -0.066647 2.845518 ESP Fit Center 9164 is at -6.331841 -0.393652 2.845518 ESP Fit Center 9165 is at -6.523422 -0.775122 2.845518 ESP Fit Center 9166 is at -6.621867 -1.190490 2.845518 ESP Fit Center 9167 is at -6.621867 -1.617366 2.845518 ESP Fit Center 9168 is at -6.523422 -2.032734 2.845518 ESP Fit Center 9169 is at -6.331841 -2.414204 2.845518 ESP Fit Center 9170 is at -6.057451 -2.741209 2.845518 ESP Fit Center 9171 is at -3.152842 -2.229048 2.845518 ESP Fit Center 9172 is at -3.006842 -1.827917 2.845518 ESP Fit Center 9173 is at -6.068030 0.239669 2.502827 ESP Fit Center 9174 is at -6.372840 -0.050076 2.502827 ESP Fit Center 9175 is at -6.613087 -0.395247 2.502827 ESP Fit Center 9176 is at -6.778932 -0.781713 2.502827 ESP Fit Center 9177 is at -6.863588 -1.193654 2.502827 ESP Fit Center 9178 is at -6.863588 -1.614202 2.502827 ESP Fit Center 9179 is at -6.778932 -2.026143 2.502827 ESP Fit Center 9180 is at -6.568547 -0.009817 2.123676 ESP Fit Center 9181 is at -6.800348 -0.370507 2.123676 ESP Fit Center 9182 is at -6.959700 -0.768547 2.123676 ESP Fit Center 9183 is at -7.040841 -1.189552 2.123676 ESP Fit Center 9184 is at -6.707934 -0.014675 1.719583 Entering OneElI... OneElI was handed 2147289201 working-precision words. Calculate electrostatic properties NBasis = 323 MinDer = 0 MaxDer = 0 NGrid = 9184 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 28.92 SMaxX= 19.60 Shift= 10.454686 5.318542 4.004221 Box 1 Number 0 centers from 1 to 108: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.89D+01 RnKept= 1.35D+01 NSMCal= 5886 NSMKep= 2588 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 23768192 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 178714858 working-precision words and 2588 shell-pairs PRISM was handed 178714858 working-precision words and 2588 shell-pairs PRISM was handed 178714858 working-precision words and 2588 shell-pairs PRISM was handed 178714858 working-precision words and 2588 shell-pairs PRISM was handed 178714858 working-precision words and 2588 shell-pairs PRISM was handed 178714858 working-precision words and 2588 shell-pairs PRISM was handed 178714858 working-precision words and 2588 shell-pairs PRISM was handed 178714858 working-precision words and 2588 shell-pairs PRISM was handed 178714858 working-precision words and 2588 shell-pairs PRISM was handed 178714858 working-precision words and 2588 shell-pairs PRISM was handed 178714858 working-precision words and 2588 shell-pairs PRISM was handed 178714858 working-precision words and 2588 shell-pairs IPart= 6 NShTot= 1937824 NBatch= 1969 AvBLen= 984.2 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 7 NShTot= 1891904 NBatch= 1911 AvBLen= 990.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 1983744 NBatch= 2036 AvBLen= 974.3 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 2204160 NBatch= 2421 AvBLen= 910.4 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 10 NShTot= 1836800 NBatch= 1830 AvBLen= 1003.7 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 11 NShTot= 1818432 NBatch= 1802 AvBLen= 1009.1 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 8 NShTot= 1873536 NBatch= 1889 AvBLen= 991.8 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 9 NShTot= 1864352 NBatch= 1878 AvBLen= 992.7 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 1992928 NBatch= 2055 AvBLen= 969.8 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 2066400 NBatch= 2127 AvBLen= 971.5 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 2121504 NBatch= 2199 AvBLen= 964.8 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 2176608 NBatch= 2386 AvBLen= 912.2 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 9150 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00171 RRMS= 0.05588: ESP charges: 1 1 C 0.088788 2 H 0.050428 3 H 0.026791 4 H 0.062233 5 O -0.388246 6 P 0.775097 7 S 0.730001 8 O -0.593430 9 O -0.324653 10 C -0.072066 11 H 0.111300 12 H 0.088546 13 H 0.093875 14 O -0.533851 15 C 0.054396 16 O -0.551864 17 C -0.224988 18 C -0.382659 19 C 0.428589 20 C 0.073807 21 C -0.159951 22 H 0.206263 23 O -0.116551 24 O -0.368197 25 H 0.239613 26 H 0.266963 27 C -0.207648 28 C 0.044797 29 H 0.143681 30 H 0.138117 31 H 0.137856 32 H 0.089711 33 H 0.036495 34 H 0.036757 Sum of ESP charges = -0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.228240 5 O -0.388246 6 P 0.775097 7 S 0.730001 8 O -0.593430 9 O -0.324653 10 C 0.221655 14 O -0.533851 15 C 0.054396 16 O -0.551864 17 C 0.041975 18 C -0.176396 19 C 0.428589 20 C 0.073807 21 C 0.079662 23 O -0.116551 24 O -0.368197 27 C 0.212006 28 C 0.207761 Charge= -0.00000 Dipole= -8.9799 6.1013 2.0093 Tot= 11.0410 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.692675 2 Atom -1.123627 3 Atom -1.129425 4 Atom -1.130615 5 Atom -22.279186 6 Atom -53.982477 7 Atom -58.978711 8 Atom -22.352530 9 Atom -22.300959 10 Atom -14.687054 11 Atom -1.134067 12 Atom -1.123764 13 Atom -1.131378 14 Atom -22.347662 15 Atom -14.732964 16 Atom -22.352132 17 Atom -14.672019 18 Atom -14.701180 19 Atom -14.595442 20 Atom -14.634332 21 Atom -14.695837 22 Atom -1.047775 23 Atom -22.206455 24 Atom -22.271093 25 Atom -1.071682 26 Atom -1.041873 27 Atom -14.594975 28 Atom -14.654070 29 Atom -1.035833 30 Atom -1.034941 31 Atom -1.035113 32 Atom -1.091778 33 Atom -1.101114 34 Atom -1.101126 35 Fit -0.016865 36 Fit -0.011609 37 Fit -0.010239 38 Fit -0.013620 39 Fit -0.012928 40 Fit -0.007639 41 Fit -0.001630 42 Fit 0.000565 43 Fit 0.005982 44 Fit -0.009102 45 Fit -0.008731 46 Fit -0.005576 47 Fit 0.003461 48 Fit 0.007725 49 Fit -0.006613 50 Fit -0.004156 51 Fit 0.004364 52 Fit 0.007658 53 Fit -0.002817 54 Fit 0.003252 55 Fit 0.000759 56 Fit 0.001449 57 Fit -0.000522 58 Fit 0.001181 59 Fit 0.001355 60 Fit 0.000006 61 Fit -0.005881 62 Fit -0.003313 63 Fit -0.002691 64 Fit -0.004249 65 Fit -0.010805 66 Fit -0.008518 67 Fit -0.029504 68 Fit -0.019482 69 Fit -0.017073 70 Fit -0.016589 71 Fit -0.012012 72 Fit -0.009108 73 Fit -0.008243 74 Fit -0.009720 75 Fit -0.014159 76 Fit -0.006980 77 Fit -0.004551 78 Fit -0.002974 79 Fit -0.002471 80 Fit -0.003121 81 Fit -0.004920 82 Fit -0.007924 83 Fit -0.009828 84 Fit -0.003674 85 Fit -0.001439 86 Fit 0.000294 87 Fit 0.001333 88 Fit 0.001614 89 Fit 0.001168 90 Fit 0.000120 91 Fit -0.001282 92 Fit -0.002600 93 Fit -0.005996 94 Fit -0.001498 95 Fit 0.000650 96 Fit 0.002412 97 Fit 0.003639 98 Fit 0.004276 99 Fit 0.004332 100 Fit 0.003881 101 Fit 0.003079 102 Fit 0.002217 103 Fit 0.001852 104 Fit -0.003720 105 Fit -0.000055 106 Fit 0.002054 107 Fit 0.003805 108 Fit 0.005068 109 Fit 0.005792 110 Fit 0.005980 111 Fit 0.005689 112 Fit 0.005042 113 Fit 0.004254 114 Fit 0.003727 115 Fit -0.003834 116 Fit -0.002243 117 Fit 0.000907 118 Fit 0.002944 119 Fit 0.004634 120 Fit 0.005829 121 Fit 0.006471 122 Fit 0.006567 123 Fit 0.006178 124 Fit 0.005435 125 Fit 0.004570 126 Fit 0.004090 127 Fit -0.001146 128 Fit 0.001559 129 Fit 0.003464 130 Fit 0.005016 131 Fit 0.006004 132 Fit 0.006359 133 Fit 0.006103 134 Fit 0.005347 135 Fit 0.004335 136 Fit -0.000182 137 Fit 0.002036 138 Fit 0.003647 139 Fit 0.004898 140 Fit 0.005467 141 Fit 0.005283 142 Fit 0.004467 143 Fit 0.003463 144 Fit 0.000918 145 Fit 0.002459 146 Fit 0.003584 147 Fit 0.004262 148 Fit 0.004048 149 Fit 0.003239 150 Fit 0.002919 151 Fit 0.003288 152 Fit 0.016297 153 Fit 0.029572 154 Fit 0.009054 155 Fit 0.015438 156 Fit 0.024549 157 Fit 0.004330 158 Fit 0.006650 159 Fit 0.010493 160 Fit 0.015146 161 Fit 0.019929 162 Fit 0.003133 163 Fit 0.003365 164 Fit 0.005039 165 Fit 0.006918 166 Fit 0.007755 167 Fit 0.005427 168 Fit -0.004084 169 Fit 0.001245 170 Fit 0.000805 171 Fit 0.001134 172 Fit 0.000782 173 Fit -0.002232 174 Fit -0.011303 175 Fit -0.002263 176 Fit -0.003000 177 Fit -0.004191 178 Fit -0.007843 179 Fit -0.017292 180 Fit -0.008790 181 Fit -0.008027 182 Fit -0.009283 183 Fit -0.013808 184 Fit -0.025272 185 Fit -0.021951 186 Fit -0.016802 187 Fit -0.021876 188 Fit -0.037789 189 Fit -0.030046 190 Fit -0.012313 191 Fit -0.009545 192 Fit -0.007120 193 Fit -0.017181 194 Fit -0.010885 195 Fit -0.008194 196 Fit -0.006024 197 Fit -0.005258 198 Fit -0.023025 199 Fit -0.014185 200 Fit -0.009463 201 Fit -0.007108 202 Fit -0.005184 203 Fit -0.004293 204 Fit -0.041468 205 Fit -0.029859 206 Fit -0.019763 207 Fit -0.012926 208 Fit -0.008767 209 Fit -0.006432 210 Fit -0.004844 211 Fit -0.003672 212 Fit -0.001897 213 Fit -0.042140 214 Fit -0.036598 215 Fit -0.027895 216 Fit -0.019568 217 Fit -0.013238 218 Fit -0.009001 219 Fit -0.006397 220 Fit -0.005258 221 Fit -0.003689 222 Fit -0.001618 223 Fit -0.051383 224 Fit -0.040334 225 Fit -0.031046 226 Fit -0.022515 227 Fit -0.015553 228 Fit -0.010558 229 Fit -0.007307 230 Fit -0.006673 231 Fit -0.004665 232 Fit -0.002403 233 Fit -0.040012 234 Fit -0.028818 235 Fit -0.020152 236 Fit -0.013740 237 Fit -0.009424 238 Fit -0.009379 239 Fit -0.007008 240 Fit -0.005446 241 Fit -0.040841 242 Fit -0.028986 243 Fit -0.019680 244 Fit -0.013286 245 Fit -0.013787 246 Fit -0.012298 247 Fit -0.018475 248 Fit -0.030733 249 Fit -0.030278 250 Fit -0.020512 251 Fit -0.020550 252 Fit -0.053023 253 Fit -0.056018 254 Fit -0.046031 255 Fit -0.049537 256 Fit -0.051774 257 Fit -0.053634 258 Fit -0.056374 259 Fit -0.040405 260 Fit -0.044410 261 Fit -0.046433 262 Fit -0.047698 263 Fit -0.048595 264 Fit -0.049006 265 Fit -0.049347 266 Fit -0.035261 267 Fit -0.039047 268 Fit -0.040638 269 Fit -0.041501 270 Fit -0.042280 271 Fit -0.042930 272 Fit -0.042934 273 Fit -0.041705 274 Fit -0.039137 275 Fit -0.030330 276 Fit -0.033232 277 Fit -0.034017 278 Fit -0.034238 279 Fit -0.034686 280 Fit -0.035480 281 Fit -0.036126 282 Fit -0.035761 283 Fit -0.033454 284 Fit -0.028488 285 Fit -0.025255 286 Fit -0.026535 287 Fit -0.026233 288 Fit -0.025547 289 Fit -0.025348 290 Fit -0.026014 291 Fit -0.027177 292 Fit -0.027968 293 Fit -0.027363 294 Fit -0.024305 295 Fit -0.017766 296 Fit -0.006835 297 Fit -0.019323 298 Fit -0.018793 299 Fit -0.016458 300 Fit -0.018320 301 Fit -0.018589 302 Fit -0.016184 303 Fit -0.009831 304 Fit 0.001948 305 Fit -0.017695 306 Fit -0.006492 307 Fit 0.000534 308 Fit 0.014262 309 Fit -0.012356 310 Fit -0.041744 311 Fit -0.051647 312 Fit -0.039423 313 Fit -0.050810 314 Fit -0.061107 315 Fit -0.060494 316 Fit -0.045598 317 Fit -0.038446 318 Fit -0.034399 319 Fit -0.042681 320 Fit -0.039363 321 Fit -0.033495 322 Fit -0.020479 323 Fit -0.011417 324 Fit -0.006913 325 Fit -0.006610 326 Fit -0.009471 327 Fit -0.013973 328 Fit -0.018298 329 Fit -0.021262 330 Fit -0.022632 331 Fit -0.022705 332 Fit -0.022740 333 Fit -0.024005 334 Fit -0.026505 335 Fit -0.029308 336 Fit -0.031443 337 Fit -0.031963 338 Fit 0.001020 339 Fit 0.013257 340 Fit 0.000678 341 Fit -0.003638 342 Fit -0.011285 343 Fit -0.020035 344 Fit -0.027914 345 Fit -0.034325 346 Fit 0.011468 347 Fit -0.025665 348 Fit -0.038009 349 Fit -0.047532 350 Fit -0.002468 351 Fit -0.063228 352 Fit -0.049073 353 Fit -0.069645 354 Fit -0.017532 355 Fit -0.079406 356 Fit -0.025195 357 Fit -0.018399 358 Fit -0.015542 359 Fit -0.017973 360 Fit -0.027798 361 Fit -0.031547 362 Fit -0.030810 363 Fit -0.038238 364 Fit -0.052540 365 Fit -0.085692 366 Fit -0.049163 367 Fit -0.058500 368 Fit -0.071997 369 Fit -0.062659 370 Fit -0.062237 371 Fit -0.063173 372 Fit -0.062961 373 Fit -0.062589 374 Fit -0.062368 375 Fit -0.061775 376 Fit -0.061085 377 Fit -0.062844 378 Fit -0.063808 379 Fit -0.063586 380 Fit -0.062743 381 Fit -0.062113 382 Fit -0.062077 383 Fit -0.062353 384 Fit -0.062252 385 Fit -0.061282 386 Fit -0.059949 387 Fit -0.059739 388 Fit -0.058785 389 Fit -0.061502 390 Fit -0.063581 391 Fit -0.064380 392 Fit -0.063887 393 Fit -0.062668 394 Fit -0.061448 395 Fit -0.060749 396 Fit -0.060750 397 Fit -0.061295 398 Fit -0.061966 399 Fit -0.062202 400 Fit -0.061461 401 Fit -0.059475 402 Fit -0.056801 403 Fit -0.055302 404 Fit -0.056305 405 Fit -0.054764 406 Fit -0.058540 407 Fit -0.061860 408 Fit -0.063992 409 Fit -0.064527 410 Fit -0.063668 411 Fit -0.062025 412 Fit -0.060275 413 Fit -0.058934 414 Fit -0.058268 415 Fit -0.058320 416 Fit -0.058970 417 Fit -0.059971 418 Fit -0.060963 419 Fit -0.061530 420 Fit -0.061230 421 Fit -0.059598 422 Fit -0.056237 423 Fit -0.051291 424 Fit -0.050833 425 Fit -0.048105 426 Fit -0.053533 427 Fit -0.058704 428 Fit -0.062528 429 Fit -0.064140 430 Fit -0.063565 431 Fit -0.061524 432 Fit -0.058943 433 Fit -0.056594 434 Fit -0.054961 435 Fit -0.054217 436 Fit -0.054297 437 Fit -0.055037 438 Fit -0.056250 439 Fit -0.057666 440 Fit -0.058937 441 Fit -0.059704 442 Fit -0.059550 443 Fit -0.057908 444 Fit -0.053949 445 Fit -0.053037 446 Fit -0.059631 447 Fit -0.063115 448 Fit -0.063169 449 Fit -0.060659 450 Fit -0.056945 451 Fit -0.053214 452 Fit -0.050244 453 Fit -0.048422 454 Fit -0.047784 455 Fit -0.048065 456 Fit -0.048942 457 Fit -0.050248 458 Fit -0.051845 459 Fit -0.053476 460 Fit -0.054879 461 Fit -0.055825 462 Fit -0.055959 463 Fit -0.054689 464 Fit -0.051041 465 Fit -0.051804 466 Fit -0.045703 467 Fit -0.041100 468 Fit -0.038438 469 Fit -0.037701 470 Fit -0.038386 471 Fit -0.039715 472 Fit -0.041244 473 Fit -0.042958 474 Fit -0.044723 475 Fit -0.046322 476 Fit -0.047725 477 Fit -0.048828 478 Fit -0.049156 479 Fit -0.047879 480 Fit -0.043630 481 Fit -0.021850 482 Fit -0.023777 483 Fit -0.026397 484 Fit -0.028730 485 Fit -0.030673 486 Fit -0.032149 487 Fit -0.033241 488 Fit -0.034530 489 Fit -0.036241 490 Fit -0.047107 491 Fit -0.046478 492 Fit -0.058938 493 Fit -0.062306 494 Fit -0.057945 495 Fit -0.049497 496 Fit -0.072062 497 Fit -0.061471 498 Fit -0.049779 499 Fit -0.076839 500 Fit -0.063802 501 Fit -0.051364 502 Fit -0.028379 503 Fit -0.026199 504 Fit -0.085257 505 Fit -0.070247 506 Fit -0.057528 507 Fit -0.046626 508 Fit -0.038073 509 Fit -0.032660 510 Fit -0.029967 511 Fit -0.037598 512 Fit -0.032388 513 Fit -0.089749 514 Fit -0.074298 515 Fit -0.062241 516 Fit -0.052833 517 Fit -0.046024 518 Fit -0.041383 519 Fit -0.045345 520 Fit -0.081481 521 Fit -0.068434 522 Fit -0.058765 523 Fit -0.051614 524 Fit -0.051967 525 Fit -0.083523 526 Fit -0.070737 527 Fit -0.060708 528 Fit -0.057449 529 Fit -0.045894 530 Fit -0.069535 531 Fit -0.060531 532 Fit -0.001402 533 Fit -0.004729 534 Fit -0.009947 535 Fit 0.000781 536 Fit -0.001276 537 Fit 0.001639 538 Fit 0.001786 539 Fit 0.002550 540 Fit -0.041060 541 Fit 0.002015 542 Fit 0.003209 543 Fit 0.003304 544 Fit 0.003412 545 Fit -0.000809 546 Fit 0.004741 547 Fit 0.004221 548 Fit 0.003283 549 Fit -0.006437 550 Fit 0.004517 551 Fit 0.002347 552 Fit -0.014593 553 Fit -0.031354 554 Fit -0.026644 555 Fit -0.021728 556 Fit -0.016422 557 Fit -0.038222 558 Fit -0.030006 559 Fit -0.022344 560 Fit -0.005122 561 Fit -0.034692 562 Fit -0.008069 563 Fit -0.011834 564 Fit -0.012318 565 Fit -0.012986 566 Fit -0.016943 567 Fit -0.017942 568 Fit -0.019696 569 Fit -0.027067 570 Fit -0.012411 571 Fit -0.008642 572 Fit -0.013665 573 Fit -0.019158 574 Fit -0.017419 575 Fit -0.011518 576 Fit -0.008061 577 Fit -0.005494 578 Fit -0.008908 579 Fit -0.014918 580 Fit -0.022669 581 Fit -0.029324 582 Fit -0.030001 583 Fit -0.024159 584 Fit -0.016803 585 Fit -0.011210 586 Fit -0.007609 587 Fit -0.005451 588 Fit -0.004578 589 Fit -0.002160 590 Fit -0.004685 591 Fit -0.009618 592 Fit -0.016896 593 Fit -0.026491 594 Fit -0.037782 595 Fit -0.046719 596 Fit -0.046985 597 Fit -0.038448 598 Fit -0.027536 599 Fit -0.018890 600 Fit -0.013079 601 Fit -0.009233 602 Fit -0.006521 603 Fit -0.004422 604 Fit -0.002754 605 Fit -0.001768 606 Fit -0.031121 607 Fit -0.035433 608 Fit -0.024278 609 Fit -0.017323 610 Fit -0.012848 611 Fit -0.009689 612 Fit -0.007159 613 Fit -0.004826 614 Fit -0.002446 615 Fit -0.000049 616 Fit -0.034373 617 Fit -0.024587 618 Fit -0.018799 619 Fit -0.014929 620 Fit -0.011956 621 Fit -0.009331 622 Fit -0.006647 623 Fit -0.003537 624 Fit -0.041745 625 Fit -0.030337 626 Fit -0.024181 627 Fit -0.020117 628 Fit -0.016838 629 Fit -0.013830 630 Fit -0.010710 631 Fit -0.028176 632 Fit -0.025131 633 Fit -0.021651 634 Fit -0.017886 635 Fit -0.000595 636 Fit 0.001477 637 Fit 0.003455 638 Fit 0.004274 639 Fit -0.004579 640 Fit -0.001959 641 Fit 0.000505 642 Fit 0.002300 643 Fit 0.003430 644 Fit 0.003254 645 Fit 0.003420 646 Fit -0.009466 647 Fit -0.006398 648 Fit -0.003164 649 Fit -0.000449 650 Fit 0.001512 651 Fit 0.002688 652 Fit 0.003185 653 Fit 0.002207 654 Fit 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8786 Fit 0.032091 8787 Fit 0.032093 8788 Fit 0.031924 8789 Fit 0.031582 8790 Fit 0.031087 8791 Fit 0.030475 8792 Fit 0.029659 8793 Fit 0.028965 8794 Fit 0.029893 8795 Fit 0.030747 8796 Fit 0.031255 8797 Fit 0.031164 8798 Fit 0.030618 8799 Fit 0.029910 8800 Fit 0.030499 8801 Fit 0.029652 8802 Fit 0.028313 8803 Fit 0.029690 8804 Fit 0.030947 8805 Fit 0.031081 8806 Fit 0.029903 8807 Fit 0.028413 8808 Fit 0.027024 8809 Fit 0.028413 8810 Fit 0.030001 8811 Fit 0.031337 8812 Fit 0.032287 8813 Fit 0.032780 8814 Fit 0.032678 8815 Fit 0.031874 8816 Fit 0.030469 8817 Fit 0.028780 8818 Fit 0.027269 8819 Fit 0.026544 8820 Fit 0.025792 8821 Fit 0.027338 8822 Fit 0.029054 8823 Fit 0.030591 8824 Fit 0.031851 8825 Fit 0.032866 8826 Fit 0.033682 8827 Fit 0.034298 8828 Fit 0.034637 8829 Fit 0.034569 8830 Fit 0.033979 8831 Fit 0.031395 8832 Fit 0.029692 8833 Fit 0.027929 8834 Fit 0.026308 8835 Fit 0.025173 8836 Fit 0.024953 8837 Fit 0.024683 8838 Fit 0.026568 8839 Fit 0.028550 8840 Fit 0.030287 8841 Fit 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8897 Fit 0.013627 8898 Fit 0.011595 8899 Fit 0.009478 8900 Fit 0.007286 8901 Fit 0.015656 8902 Fit 0.013866 8903 Fit 0.012052 8904 Fit 0.010125 8905 Fit 0.008031 8906 Fit 0.005753 8907 Fit 0.018115 8908 Fit 0.016350 8909 Fit 0.014698 8910 Fit 0.013053 8911 Fit 0.011323 8912 Fit 0.009436 8913 Fit 0.007334 8914 Fit 0.004974 8915 Fit 0.002331 8916 Fit 0.018484 8917 Fit 0.016843 8918 Fit 0.015327 8919 Fit 0.013843 8920 Fit 0.012307 8921 Fit 0.010650 8922 Fit 0.008812 8923 Fit 0.006737 8924 Fit 0.004373 8925 Fit 0.001659 8926 Fit -0.001480 8927 Fit 0.018586 8928 Fit 0.016994 8929 Fit 0.015534 8930 Fit 0.014111 8931 Fit 0.012645 8932 Fit 0.011066 8933 Fit 0.009311 8934 Fit 0.007320 8935 Fit 0.005033 8936 Fit 0.002374 8937 Fit -0.000757 8938 Fit -0.004522 8939 Fit 0.018480 8940 Fit 0.016964 8941 Fit 0.015575 8942 Fit 0.014226 8943 Fit 0.012842 8944 Fit 0.011356 8945 Fit 0.009708 8946 Fit 0.007843 8947 Fit 0.005698 8948 Fit 0.003202 8949 Fit 0.000256 8950 Fit -0.003292 8951 Fit -0.007704 8952 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0.023119 9063 Fit 0.023656 9064 Fit 0.023300 9065 Fit 0.022306 9066 Fit 0.020921 9067 Fit 0.019337 9068 Fit 0.017665 9069 Fit 0.015952 9070 Fit 0.014186 9071 Fit 0.012299 9072 Fit 0.013258 9073 Fit 0.017002 9074 Fit 0.019159 9075 Fit 0.019933 9076 Fit 0.019642 9077 Fit 0.018624 9078 Fit 0.017159 9079 Fit 0.015427 9080 Fit 0.013498 9081 Fit 0.011345 9082 Fit 0.008865 9083 Fit 0.005634 9084 Fit 0.010101 9085 Fit 0.014025 9086 Fit 0.016206 9087 Fit 0.016600 9088 Fit 0.015672 9089 Fit 0.013910 9090 Fit 0.011606 9091 Fit 0.008866 9092 Fit 0.005848 9093 Fit 0.008146 9094 Fit 0.011847 9095 Fit 0.013512 9096 Fit 0.012222 9097 Fit 0.009344 9098 Fit 0.006950 9099 Fit 0.010319 9100 Fit 0.015601 9101 Fit 0.013990 9102 Fit 0.016882 9103 Fit 0.018286 9104 Fit 0.017025 9105 Fit 0.014632 9106 Fit 0.013017 9107 Fit 0.012168 9108 Fit 0.015276 9109 Fit 0.018567 9110 Fit 0.020710 9111 Fit 0.021120 9112 Fit 0.020099 9113 Fit 0.018291 9114 Fit 0.016155 9115 Fit 0.013926 9116 Fit 0.011871 9117 Fit 0.010489 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0.033637 9174 Fit 0.030611 9175 Fit 0.027814 9176 Fit 0.025424 9177 Fit 0.023422 9178 Fit 0.021718 9179 Fit 0.020203 9180 Fit 0.032310 9181 Fit 0.029038 9182 Fit 0.026468 9183 Fit 0.024453 9184 Fit 0.033438 ----------------------------------------------------------------- Leave Link 602 at Sat Aug 31 12:20:32 2024, MaxMem= 2147483648 cpu: 2.6 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 -0.019451301 0.018661639 0.025967718 2 1 0.005079777 -0.006052153 -0.004585300 3 1 -0.014998068 -0.013419784 0.006380116 4 1 -0.003792335 0.006016020 -0.002305079 5 8 0.047748515 0.016485486 -0.024450361 6 15 -0.106548404 -0.182243956 -0.013364558 7 16 -0.037374435 -0.112269840 0.411400247 8 8 0.017387989 0.041213150 0.009871038 9 8 0.005350011 0.048908827 -0.008804009 10 6 -0.008054884 -0.018766496 -0.012613301 11 1 -0.004354217 -0.001150036 0.005803294 12 1 -0.000096243 0.009137082 -0.002736727 13 1 0.004591072 -0.003836578 0.000269737 14 8 0.029547110 -0.028391027 -0.063784173 15 6 0.055471643 0.143604124 -0.192401196 16 8 -0.048109780 0.017305108 -0.046717445 17 6 -0.000789563 -0.005524933 0.009316839 18 6 0.002649240 0.005487154 -0.007309892 19 6 -0.052448833 -0.153182673 0.199125264 20 6 0.019018638 0.006551935 -0.011049149 21 6 0.068745092 0.023861059 -0.041139575 22 1 -0.001065380 0.007819397 -0.010208707 23 8 0.097874924 0.190120156 -0.250452670 24 8 -0.047161607 0.016876869 -0.014185635 25 1 0.005731320 -0.001811232 0.001392266 26 1 -0.020078828 -0.000070956 0.004781698 27 6 0.003360406 0.002051312 -0.004561321 28 6 -0.013740188 -0.000706646 0.002243800 29 1 -0.003689894 -0.012450931 0.016173316 30 1 0.009601281 -0.010878600 -0.004885842 31 1 0.011662800 0.006640844 0.008970570 32 1 -0.017578522 -0.003066632 0.006544629 33 1 0.006997476 -0.012217008 -0.002968663 34 1 0.008515191 0.005299318 0.010283071 ------------------------------------------------------------------- Cartesian Forces: Max 0.411400247 RMS 0.069807771 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.373686716 RMS 0.045767604 Search for a local minimum. Step number 1 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Second derivative matrix not updated -- first step. ITU= 0 Eigenvalues --- 0.00836 0.01053 0.01132 0.01599 0.01753 Eigenvalues --- 0.01787 0.01787 0.02339 0.02409 0.02534 Eigenvalues --- 0.02664 0.02693 0.02754 0.02843 0.02861 Eigenvalues --- 0.02869 0.03545 0.05054 0.05233 0.06276 Eigenvalues --- 0.09038 0.10074 0.10182 0.10202 0.10269 Eigenvalues --- 0.10292 0.10312 0.10525 0.10527 0.10527 Eigenvalues --- 0.10529 0.14992 0.15999 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16280 0.19877 0.20143 Eigenvalues --- 0.21395 0.22359 0.23516 0.24577 0.24990 Eigenvalues --- 0.25000 0.25000 0.25000 0.25000 0.25000 Eigenvalues --- 0.25000 0.25000 0.33444 0.33463 0.33481 Eigenvalues --- 0.33626 0.33650 0.33740 0.34542 0.34764 Eigenvalues --- 0.34794 0.34830 0.34830 0.34844 0.34866 Eigenvalues --- 0.36386 0.37491 0.38473 0.38582 0.39081 Eigenvalues --- 0.39268 0.39966 0.43712 0.43930 0.44450 Eigenvalues --- 0.46830 0.46832 0.49014 0.51819 0.54872 Eigenvalues --- 0.60025 0.71078 0.73978 0.87416 1.04235 Eigenvalues --- 1.37527 RFO step: Lambda=-2.92159466D-01 EMin= 8.36339274D-03 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.542 Iteration 1 RMS(Cart)= 0.11835721 RMS(Int)= 0.00312885 Iteration 2 RMS(Cart)= 0.00538738 RMS(Int)= 0.00008827 Iteration 3 RMS(Cart)= 0.00002133 RMS(Int)= 0.00008753 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00008753 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.05892 -0.00530 0.00000 -0.00448 -0.00448 2.05444 R2 2.06060 -0.01797 0.00000 -0.01521 -0.01521 2.04539 R3 2.05951 -0.00597 0.00000 -0.00505 -0.00505 2.05447 R4 2.63206 0.03341 0.00000 0.02380 0.02380 2.65586 R5 3.10500 -0.01205 0.00000 -0.00896 -0.00896 3.09605 R6 3.73413 0.11312 0.00000 0.09187 0.09187 3.82600 R7 2.77847 -0.02379 0.00000 -0.01105 -0.01105 2.76742 R8 3.10238 -0.03694 0.00000 -0.02736 -0.02736 3.07502 R9 2.86819 -0.07309 0.00000 -0.03948 -0.03948 2.82871 R10 2.70689 0.37369 0.00000 0.15171 0.15171 2.85860 R11 2.85036 -0.06656 0.00000 -0.03494 -0.03494 2.81542 R12 2.63204 0.01770 0.00000 0.01261 0.01261 2.64465 R13 2.05930 -0.00644 0.00000 -0.00545 -0.00545 2.05385 R14 2.06010 -0.00747 0.00000 -0.00632 -0.00632 2.05378 R15 2.05951 -0.00442 0.00000 -0.00374 -0.00374 2.05577 R16 2.58959 0.03125 0.00000 0.02272 0.02288 2.61246 R17 2.54158 0.07922 0.00000 0.05130 0.05146 2.59304 R18 2.49712 0.06394 0.00000 0.03874 0.03874 2.53586 R19 1.98300 0.02058 0.00000 0.01612 0.01612 1.99911 R20 2.63561 0.02732 0.00000 0.01851 0.01835 2.65396 R21 1.99522 0.01027 0.00000 0.00814 0.00814 2.00336 R22 2.78277 -0.02561 0.00000 -0.02344 -0.02359 2.75918 R23 2.16532 0.31599 0.00000 0.10267 0.10267 2.26799 R24 2.56036 0.01789 0.00000 0.01110 0.01111 2.57146 R25 2.73683 -0.06305 0.00000 -0.05046 -0.05046 2.68637 R26 2.00226 0.00511 0.00000 0.00408 0.00408 2.00634 R27 2.76782 -0.02945 0.00000 -0.02433 -0.02433 2.74350 R28 2.72560 -0.02438 0.00000 -0.01929 -0.01929 2.70631 R29 2.08246 -0.01849 0.00000 -0.01598 -0.01598 2.06647 R30 2.07966 -0.01492 0.00000 -0.01287 -0.01287 2.06680 R31 2.08215 -0.01579 0.00000 -0.01365 -0.01365 2.06851 R32 2.08279 -0.01658 0.00000 -0.01434 -0.01434 2.06845 R33 2.07770 -0.01360 0.00000 -0.01170 -0.01170 2.06600 R34 2.07926 -0.01369 0.00000 -0.01179 -0.01179 2.06746 A1 1.90991 -0.00311 0.00000 -0.00410 -0.00405 1.90586 A2 1.90975 -0.00140 0.00000 -0.00249 -0.00249 1.90726 A3 1.91145 -0.01645 0.00000 -0.02031 -0.02028 1.89117 A4 1.91006 -0.00302 0.00000 -0.00243 -0.00258 1.90748 A5 1.91141 0.01693 0.00000 0.02069 0.02064 1.93205 A6 1.91122 0.00704 0.00000 0.00862 0.00854 1.91976 A7 2.06859 0.09533 0.00000 0.09527 0.09527 2.16386 A8 1.98112 0.03463 0.00000 0.03725 0.03727 2.01839 A9 1.85496 0.00525 0.00000 0.00551 0.00547 1.86043 A10 1.73259 0.00279 0.00000 0.00812 0.00786 1.74045 A11 2.21557 -0.05443 0.00000 -0.06340 -0.06325 2.15233 A12 1.71483 -0.00157 0.00000 -0.00043 -0.00072 1.71411 A13 1.89607 0.02640 0.00000 0.03009 0.02982 1.92589 A14 1.90819 0.00500 0.00000 0.00437 0.00428 1.91246 A15 1.89883 -0.01193 0.00000 -0.01491 -0.01498 1.88384 A16 1.83372 -0.01079 0.00000 -0.01215 -0.01212 1.82161 A17 1.98022 -0.00690 0.00000 -0.00865 -0.00870 1.97152 A18 1.88611 0.01457 0.00000 0.02031 0.02032 1.90643 A19 1.95082 0.00981 0.00000 0.01078 0.01065 1.96147 A20 2.06942 0.00191 0.00000 0.00191 0.00191 2.07133 A21 1.91080 0.00641 0.00000 0.00784 0.00782 1.91862 A22 1.91132 -0.01187 0.00000 -0.01451 -0.01450 1.89682 A23 1.91141 0.00712 0.00000 0.00867 0.00865 1.92006 A24 1.91029 0.00067 0.00000 0.00053 0.00054 1.91083 A25 1.91070 -0.00234 0.00000 -0.00222 -0.00226 1.90844 A26 1.90929 -0.00000 0.00000 -0.00032 -0.00030 1.90899 A27 2.05925 0.00199 0.00000 0.00054 0.00039 2.05964 A28 1.99173 0.05995 0.00000 0.05846 0.05831 2.05004 A29 2.23174 -0.06191 0.00000 -0.05895 -0.05865 2.17309 A30 2.06266 0.01320 0.00000 0.01679 0.01694 2.07959 A31 2.10442 -0.00631 0.00000 -0.00804 -0.00811 2.09631 A32 2.11609 -0.00689 0.00000 -0.00874 -0.00882 2.10727 A33 2.05184 0.02295 0.00000 0.02331 0.02316 2.07500 A34 2.06481 -0.00368 0.00000 -0.00232 -0.00224 2.06257 A35 2.16653 -0.01927 0.00000 -0.02100 -0.02092 2.14561 A36 2.15283 -0.03110 0.00000 -0.03527 -0.03557 2.11726 A37 2.13420 0.01603 0.00000 0.01811 0.01826 2.15246 A38 1.99615 0.01507 0.00000 0.01716 0.01731 2.01346 A39 2.01480 0.03627 0.00000 0.03241 0.03227 2.04707 A40 2.23665 -0.01807 0.00000 -0.01614 -0.01607 2.22058 A41 2.03173 -0.01820 0.00000 -0.01627 -0.01620 2.01553 A42 2.05242 0.02059 0.00000 0.02171 0.02187 2.07429 A43 2.10565 -0.00683 0.00000 -0.00670 -0.00678 2.09887 A44 2.12509 -0.01376 0.00000 -0.01500 -0.01508 2.11000 A45 2.12562 0.02921 0.00000 0.02919 0.02919 2.15481 A46 2.09512 0.01553 0.00000 0.01552 0.01552 2.11064 A47 1.90328 -0.01376 0.00000 -0.01675 -0.01678 1.88650 A48 1.91845 -0.00150 0.00000 -0.00167 -0.00169 1.91675 A49 1.91815 -0.00135 0.00000 -0.00148 -0.00150 1.91664 A50 1.90464 0.00580 0.00000 0.00668 0.00664 1.91129 A51 1.90393 0.00581 0.00000 0.00671 0.00667 1.91060 A52 1.91521 0.00500 0.00000 0.00649 0.00648 1.92169 A53 1.91185 -0.01856 0.00000 -0.02283 -0.02282 1.88903 A54 1.91053 0.00857 0.00000 0.01056 0.01051 1.92105 A55 1.90971 0.00829 0.00000 0.01024 0.01020 1.91991 A56 1.91267 0.00068 0.00000 0.00021 0.00022 1.91289 A57 1.91099 0.00088 0.00000 0.00047 0.00048 1.91147 A58 1.90804 0.00019 0.00000 0.00143 0.00133 1.90937 D1 -3.14148 0.00683 0.00000 0.01143 0.01137 -3.13011 D2 1.04722 0.01035 0.00000 0.01622 0.01638 1.06360 D3 -1.04731 -0.00066 0.00000 0.00121 0.00110 -1.04621 D4 -0.49134 -0.02321 0.00000 -0.03301 -0.03313 -0.52447 D5 -3.00606 0.01700 0.00000 0.01789 0.01790 -2.98816 D6 1.31113 -0.01426 0.00000 -0.01948 -0.01937 1.29176 D7 0.28463 0.00076 0.00000 0.00354 0.00360 0.28823 D8 -1.88661 0.01393 0.00000 0.02126 0.02136 -1.86525 D9 2.30520 0.01437 0.00000 0.02281 0.02281 2.32801 D10 2.64445 -0.01219 0.00000 -0.01730 -0.01738 2.62706 D11 0.47320 0.00099 0.00000 0.00042 0.00038 0.47358 D12 -1.61817 0.00143 0.00000 0.00197 0.00182 -1.61634 D13 -1.52915 -0.01051 0.00000 -0.01493 -0.01489 -1.54404 D14 2.58279 0.00266 0.00000 0.00279 0.00287 2.58566 D15 0.49142 0.00310 0.00000 0.00434 0.00432 0.49574 D16 1.31165 -0.00729 0.00000 -0.00762 -0.00748 1.30417 D17 -2.95394 0.02903 0.00000 0.03300 0.03316 -2.92078 D18 -0.62189 -0.02222 0.00000 -0.02620 -0.02650 -0.64839 D19 1.11935 0.00402 0.00000 0.00484 0.00497 1.12432 D20 -1.99226 0.00422 0.00000 0.00428 0.00432 -1.98794 D21 -1.00870 0.01088 0.00000 0.01583 0.01583 -0.99286 D22 2.16288 0.01108 0.00000 0.01527 0.01519 2.17806 D23 3.13639 -0.01077 0.00000 -0.01286 -0.01286 3.12353 D24 0.02478 -0.01056 0.00000 -0.01341 -0.01350 0.01127 D25 1.04749 0.00277 0.00000 0.00383 0.00387 1.05136 D26 -3.14120 0.00025 0.00000 0.00039 0.00039 -3.14081 D27 -1.04756 -0.00266 0.00000 -0.00359 -0.00363 -1.05119 D28 -3.11611 -0.00148 0.00000 -0.00202 -0.00200 -3.11811 D29 0.01791 -0.00083 0.00000 -0.00093 -0.00091 0.01701 D30 -0.00918 0.00088 0.00000 0.00112 0.00108 -0.00810 D31 3.12484 0.00153 0.00000 0.00221 0.00217 3.12701 D32 3.11470 0.00113 0.00000 0.00185 0.00181 3.11651 D33 -0.01862 0.00085 0.00000 0.00132 0.00128 -0.01734 D34 0.00665 -0.00029 0.00000 -0.00033 -0.00030 0.00634 D35 -3.12668 -0.00057 0.00000 -0.00086 -0.00083 -3.12751 D36 0.00038 -0.00047 0.00000 -0.00071 -0.00072 -0.00034 D37 -3.14053 -0.00020 0.00000 -0.00032 -0.00032 -3.14085 D38 -3.13359 -0.00112 0.00000 -0.00181 -0.00182 -3.13541 D39 0.00869 -0.00085 0.00000 -0.00142 -0.00142 0.00726 D40 0.00986 0.00003 0.00000 0.00001 -0.00000 0.00986 D41 -3.12832 -0.00014 0.00000 -0.00030 -0.00031 -3.12863 D42 -3.13246 -0.00024 0.00000 -0.00040 -0.00041 -3.13287 D43 0.01254 -0.00042 0.00000 -0.00071 -0.00072 0.01182 D44 -0.01204 0.00039 0.00000 0.00066 0.00066 -0.01139 D45 3.12753 0.00034 0.00000 0.00059 0.00058 3.12811 D46 3.12639 0.00057 0.00000 0.00096 0.00095 3.12734 D47 -0.01723 0.00052 0.00000 0.00088 0.00088 -0.01635 D48 -0.00659 -0.00019 0.00000 -0.00027 -0.00026 -0.00686 D49 3.13812 -0.00027 0.00000 -0.00045 -0.00046 3.13767 D50 0.00377 -0.00023 0.00000 -0.00044 -0.00044 0.00333 D51 3.13699 0.00009 0.00000 0.00014 0.00013 3.13713 D52 -3.13605 -0.00018 0.00000 -0.00037 -0.00037 -3.13642 D53 -0.00282 0.00014 0.00000 0.00021 0.00021 -0.00262 D54 -0.01683 -0.00015 0.00000 -0.00024 -0.00024 -0.01708 D55 3.12272 -0.00014 0.00000 -0.00027 -0.00027 3.12245 D56 -3.13836 -0.00006 0.00000 -0.00009 -0.00009 -3.13845 D57 1.05751 0.00219 0.00000 0.00301 0.00299 1.06050 D58 -1.05211 -0.00219 0.00000 -0.00303 -0.00301 -1.05512 D59 -3.14022 0.00019 0.00000 0.00036 0.00036 -3.13986 D60 1.04539 0.00550 0.00000 0.00764 0.00772 1.05311 D61 -1.04521 -0.00500 0.00000 -0.00676 -0.00684 -1.05205 Item Value Threshold Converged? Maximum Force 0.373687 0.000450 NO RMS Force 0.045768 0.000300 NO Maximum Displacement 0.517603 0.001800 NO RMS Displacement 0.119594 0.001200 NO Predicted change in Energy=-1.295091D-01 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.911872 -0.102242 0.009224 2 1 0 -0.168029 -0.158375 -0.102974 3 1 0 1.210739 0.936733 0.061572 4 1 0 1.204096 -0.606701 0.926873 5 8 0 1.505229 -0.734694 -1.096735 6 15 0 3.123179 -0.883575 -1.307178 7 16 0 4.250833 0.594162 -0.504785 8 8 0 3.322742 -1.402325 -2.662061 9 8 0 3.438129 -2.039973 -0.206531 10 6 0 3.071165 -3.359363 -0.494826 11 1 0 3.582103 -3.698335 -1.392199 12 1 0 3.353982 -3.990435 0.343584 13 1 0 1.995811 -3.421890 -0.647016 14 8 0 3.436166 1.364479 0.486979 15 6 0 4.767953 1.452937 -1.637645 16 8 0 5.344865 -0.121871 0.209399 17 6 0 3.846843 2.153458 -2.393961 18 6 0 4.278031 2.900903 -3.421651 19 6 0 5.654595 2.947709 -3.695988 20 6 0 6.613996 2.192726 -2.895093 21 6 0 6.121256 1.453380 -1.864442 22 1 0 3.558505 3.432155 -3.990803 23 8 0 6.127831 3.599347 -4.585834 24 8 0 8.023734 2.136211 -3.069129 25 1 0 6.767224 0.879282 -1.247701 26 1 0 2.815891 2.092713 -2.164681 27 6 0 5.335913 4.411609 -5.491819 28 6 0 8.663406 2.851058 -4.132509 29 1 0 6.016471 4.891167 -6.200815 30 1 0 4.796689 5.177926 -4.927747 31 1 0 4.628803 3.777949 -6.036460 32 1 0 9.739831 2.661447 -4.073702 33 1 0 8.473751 3.922988 -4.031226 34 1 0 8.283395 2.504440 -5.098119 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.087164 0.000000 3 H 1.082374 1.768429 0.000000 4 H 1.087176 1.773220 1.769457 0.000000 5 O 1.405423 2.029654 2.054767 2.049891 0.000000 6 P 2.689475 3.578837 2.973958 2.958128 1.638357 7 S 3.449326 4.500456 3.111316 3.574119 3.107186 8 O 3.825999 4.503534 4.165324 4.242891 2.489845 9 O 3.191132 4.068846 3.727455 2.886135 2.496461 10 C 3.940234 4.570804 4.714573 3.617225 3.115018 11 H 4.693187 5.315723 5.405615 4.537754 3.630961 12 H 4.603666 5.223855 5.380521 4.051159 4.011516 13 H 3.553257 3.953317 4.485090 3.321028 2.768383 14 O 2.958307 3.956937 2.305745 3.010182 3.262391 15 C 4.472149 5.414375 3.975874 4.849735 3.965309 16 O 4.437554 5.521858 4.270069 4.230343 4.101749 17 C 4.413337 5.168403 3.802513 5.062660 3.937940 18 C 5.667523 6.335633 5.039751 6.376678 5.129447 19 C 6.747164 7.514017 6.157202 7.335640 6.126455 20 C 6.798247 7.701913 6.286061 7.191052 6.156572 21 C 5.750501 6.727230 5.299965 6.017793 5.165728 22 H 5.957923 6.472571 5.306682 6.785214 5.473043 23 O 7.875439 8.593855 7.270879 8.504348 7.233683 24 O 8.066320 9.009339 7.593216 8.366544 7.390761 25 H 6.068641 7.105270 5.708942 6.155104 5.506024 26 H 3.628909 4.268701 2.978087 4.409357 3.294324 27 C 8.379050 8.956438 7.741574 9.135368 7.776589 28 C 9.271582 10.163075 8.763401 9.653743 8.562304 29 H 9.463385 10.046371 8.828935 10.207323 8.834775 30 H 8.206440 8.740879 7.465926 8.980268 7.776209 31 H 8.088372 8.585482 7.545970 8.913012 7.383870 32 H 10.111435 11.040098 9.634341 10.418508 9.391740 33 H 9.471522 10.332910 8.855509 9.896903 8.880626 34 H 9.339117 10.171953 8.893963 9.802867 8.511557 6 7 8 9 10 6 P 0.000000 7 S 2.024634 0.000000 8 O 1.464457 3.082393 0.000000 9 O 1.627229 2.772744 2.539593 0.000000 10 C 2.606175 4.125781 2.930903 1.399488 0.000000 11 H 2.853194 4.433986 2.636566 2.043699 1.086848 12 H 3.525743 4.747904 3.966508 2.028302 1.086816 13 H 2.854789 4.608040 3.146394 2.045484 1.087869 14 O 2.893218 1.496886 4.193390 3.474371 4.838579 15 C 2.876417 1.512705 3.360146 4.002116 5.229087 16 O 2.795727 1.489855 3.738158 2.736376 4.018332 17 C 3.305806 2.482659 3.604185 4.747289 5.882141 18 C 4.486307 3.718858 4.472955 5.954383 7.015252 19 C 5.176217 4.206365 5.042752 6.478117 7.529987 20 C 4.916392 3.722031 4.879657 5.935507 7.009895 21 C 3.841922 2.466861 4.077122 4.706522 5.860153 22 H 5.100674 4.548169 5.019297 6.654276 7.654023 23 O 6.314594 5.404555 6.048649 7.629857 8.631523 24 O 6.019885 4.815450 5.897989 6.831014 7.833027 25 H 4.048489 2.639212 4.366990 4.548511 5.673956 26 H 3.112560 2.657060 3.566452 4.615260 5.707777 27 C 7.102562 6.373445 6.772165 8.553289 9.512467 28 C 7.254247 6.142049 6.983995 8.163272 9.114561 29 H 8.103485 7.350271 7.706296 9.519453 10.454873 30 H 7.256097 6.393078 7.113758 8.731187 9.773102 31 H 6.809025 6.393652 6.318830 8.321898 9.169360 32 H 8.000057 6.865852 7.725672 8.761838 9.671071 33 H 7.691040 6.430388 7.534352 8.691528 9.732763 34 H 7.244150 6.403861 6.767960 8.249602 9.096254 11 12 13 14 15 11 H 0.000000 12 H 1.774910 0.000000 13 H 1.774273 1.774588 0.000000 14 O 5.402287 5.357464 5.125417 0.000000 15 C 5.291700 5.962790 5.694739 2.509085 0.000000 16 O 4.296922 4.352861 4.779094 2.435041 2.494878 17 C 5.942819 6.744218 6.128838 3.015121 1.382457 18 C 6.939232 7.907047 7.272197 4.283308 2.349321 19 C 7.332979 8.351575 7.953285 4.992520 2.693930 20 C 6.793797 7.703778 7.609561 4.714129 2.352943 21 C 5.762853 6.493712 6.501514 3.570265 1.372176 22 H 7.589282 8.597882 7.784656 4.933637 3.304153 23 O 8.362787 9.465631 9.049069 6.162233 3.892064 24 O 7.522108 8.425496 8.549561 5.855532 3.621619 25 H 5.578571 6.156017 6.451922 3.786882 2.116180 26 H 5.892373 6.601941 5.778122 2.818930 2.120761 27 C 9.254941 10.419900 9.797557 6.974243 4.891930 28 C 8.730607 9.748406 9.795682 7.132575 4.832561 29 H 10.140438 11.349046 10.775775 7.988873 5.848312 30 H 9.631372 10.673667 10.006319 6.761113 4.970025 31 H 8.863384 10.133011 9.371043 7.057087 4.977411 32 H 9.249589 10.224432 10.426842 7.887847 5.666961 33 H 9.432775 10.391017 10.361651 7.234459 5.056018 34 H 8.620349 9.802788 9.719436 7.482544 5.043697 16 17 18 19 20 16 O 0.000000 17 C 3.768113 0.000000 18 C 4.843534 1.341918 0.000000 19 C 4.976977 2.365180 1.404415 0.000000 20 C 4.075037 2.812438 2.497100 1.460097 0.000000 21 C 2.717538 2.437919 2.813841 2.409430 1.360760 22 H 5.784797 2.065940 1.060132 2.171451 3.474592 23 O 6.120029 3.478190 2.294538 1.200170 2.252452 24 O 4.798335 4.231143 3.839182 2.581531 1.421564 25 H 2.269042 3.386157 3.874157 3.392704 2.112466 26 H 4.115380 1.057886 2.090693 3.336789 3.868993 27 C 7.283983 4.112578 2.772533 2.338711 3.646906 28 C 6.221189 5.168024 4.442895 3.041848 2.482878 29 H 8.165320 5.166670 3.834981 3.190946 4.308876 30 H 7.401258 4.058286 2.778878 2.688326 4.042982 31 H 7.398114 4.064263 2.780193 2.686886 4.040063 32 H 6.738511 6.148730 5.505794 4.112635 3.373375 33 H 6.643320 5.217293 4.361227 3.001864 2.782676 34 H 6.610765 5.207557 4.360123 3.012150 2.781615 21 22 23 24 25 21 C 0.000000 22 H 3.873584 0.000000 23 O 3.465716 2.642622 0.000000 24 O 2.353073 4.739961 2.834715 0.000000 25 H 1.061712 4.933320 4.353241 2.544855 0.000000 26 H 3.379989 2.383338 4.370454 5.285977 4.233946 27 C 4.746129 2.524195 1.451796 4.274488 5.704254 28 C 3.682413 5.139822 2.682272 1.432119 3.975616 29 H 5.534753 3.613097 2.071078 4.628860 6.418114 30 H 5.001056 2.336382 2.093025 4.808358 5.992001 31 H 5.003676 2.334486 2.093633 4.798533 5.992272 32 H 4.408440 6.229740 3.766760 2.056703 4.472000 33 H 4.040810 4.939857 2.432216 2.078633 4.463674 34 H 4.029422 4.940789 2.471380 2.078417 4.445856 26 27 28 29 30 26 H 0.000000 27 C 4.774687 0.000000 28 C 6.216178 3.918578 0.000000 29 H 5.862204 1.093531 3.930165 0.000000 30 H 4.590929 1.093701 4.582382 1.786282 0.000000 31 H 4.595361 1.094607 4.556554 1.786586 1.793702 32 H 7.204774 4.946576 1.094578 4.833184 5.612193 33 H 6.232597 3.495441 1.093280 3.417998 3.987405 34 H 6.218375 3.532696 1.094054 3.471505 4.397007 31 32 33 34 31 H 0.000000 32 H 5.587629 0.000000 33 H 4.338851 1.787805 0.000000 34 H 3.982255 1.787536 1.785154 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.638455 1.882326 -0.762527 2 1 0 4.229987 2.775965 -0.579700 3 1 0 2.832509 2.122239 -1.444015 4 1 0 4.270575 1.118495 -1.208553 5 8 0 3.130868 1.428344 0.466891 6 15 0 2.196873 0.092812 0.634883 7 16 0 1.028943 -0.365239 -0.954229 8 8 0 1.711395 0.093035 2.016528 9 8 0 3.327196 -1.060149 0.432581 10 6 0 4.228399 -1.307302 1.474365 11 1 0 3.688584 -1.615828 2.365797 12 1 0 4.905565 -2.100264 1.168055 13 1 0 4.800674 -0.408252 1.692700 14 8 0 1.515078 0.371831 -2.162976 15 6 0 -0.401153 -0.028997 -0.593613 16 8 0 1.234691 -1.827070 -1.155186 17 6 0 -0.717172 1.296295 -0.359263 18 6 0 -1.972769 1.617204 -0.011073 19 6 0 -2.927607 0.593752 0.103863 20 6 0 -2.575457 -0.802876 -0.135517 21 6 0 -1.288499 -1.070260 -0.487530 22 1 0 -2.198206 2.638139 0.164284 23 8 0 -4.074414 0.791776 0.397168 24 8 0 -3.431147 -1.934075 -0.040499 25 1 0 -0.969197 -2.066038 -0.671116 26 1 0 0.026697 2.043114 -0.448946 27 6 0 -4.612882 2.110697 0.676832 28 6 0 -4.802983 -1.789109 0.344227 29 1 0 -5.673852 2.000228 0.917557 30 1 0 -4.502748 2.750524 -0.203323 31 1 0 -4.089062 2.551951 1.530689 32 1 0 -5.263383 -2.782124 0.351613 33 1 0 -5.326840 -1.147268 -0.369129 34 1 0 -4.866823 -1.349144 1.343881 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6659881 0.1815814 0.1694901 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1965.1926571262 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.78D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999974 0.006750 0.002524 -0.000851 Ang= 0.83 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.47910328 A.U. after 15 cycles NFock= 15 Conv=0.45D-08 -V/T= 2.0009 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.009638508 0.006372199 0.017065815 2 1 0.005324473 -0.003551863 -0.003234393 3 1 -0.003417824 -0.004395007 0.001934179 4 1 -0.001478438 0.003278380 -0.002154401 5 8 0.041207422 0.022405441 -0.013523106 6 15 -0.086332458 -0.140721197 -0.009913238 7 16 -0.009808178 -0.062515807 0.283498019 8 8 0.014317654 0.033262577 0.009120961 9 8 0.004044252 0.041610505 -0.007161174 10 6 -0.005921854 -0.016082692 -0.009395240 11 1 -0.002852275 -0.000130595 0.004025143 12 1 0.000042877 0.006934553 -0.001740042 13 1 0.003474923 -0.002020306 0.000455669 14 8 0.009717882 -0.024199110 -0.055882046 15 6 0.037416131 0.087981183 -0.122795587 16 8 -0.032197772 0.020249617 -0.047173161 17 6 0.005555777 -0.007372211 0.010307919 18 6 0.013017528 0.003385609 -0.006079392 19 6 -0.030053544 -0.095159696 0.125088409 20 6 0.016177782 0.008887964 -0.014050428 21 6 0.024100263 0.012161587 -0.022397256 22 1 -0.000678557 0.006682938 -0.008713130 23 8 0.052138654 0.115725178 -0.153989905 24 8 -0.038451484 0.013063644 -0.008887863 25 1 0.005045027 -0.003091844 0.002773790 26 1 -0.013119800 0.001192353 0.002824061 27 6 0.001558245 -0.004762320 0.004504060 28 6 -0.008917910 -0.000794586 0.002069814 29 1 -0.002490641 -0.008586340 0.011290319 30 1 0.005313248 -0.007001682 -0.003539447 31 1 0.007032811 0.004579692 0.005621091 32 1 -0.011957039 -0.002214677 0.005011185 33 1 0.005253655 -0.008810872 -0.002160182 34 1 0.006577676 0.003637383 0.007199557 ------------------------------------------------------------------- Cartesian Forces: Max 0.283498019 RMS 0.046505710 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.217234217 RMS 0.026959934 Search for a local minimum. Step number 2 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -1.21D-01 DEPred=-1.30D-01 R= 9.36D-01 TightC=F SS= 1.41D+00 RLast= 3.11D-01 DXNew= 5.0454D-01 9.3209D-01 Trust test= 9.36D-01 RLast= 3.11D-01 DXMaxT set to 5.05D-01 ITU= 1 0 Use linear search instead of GDIIS. Linear search step of 0.600 exceeds DXMaxT= 0.505 but not scaled. Quartic linear search produced a step of 2.00000. Iteration 1 RMS(Cart)= 0.20778573 RMS(Int)= 0.01466360 Iteration 2 RMS(Cart)= 0.03422241 RMS(Int)= 0.00057418 Iteration 3 RMS(Cart)= 0.00044293 RMS(Int)= 0.00054300 Iteration 4 RMS(Cart)= 0.00000024 RMS(Int)= 0.00054300 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.05444 -0.00477 -0.00896 0.00000 -0.00896 2.04548 R2 2.04539 -0.00507 -0.03043 0.00000 -0.03043 2.01496 R3 2.05447 -0.00374 -0.01009 0.00000 -0.01009 2.04437 R4 2.65586 0.01537 0.04760 0.00000 0.04760 2.70347 R5 3.09605 -0.02940 -0.01791 0.00000 -0.01791 3.07814 R6 3.82600 0.06743 0.18375 0.00000 0.18375 4.00975 R7 2.76742 -0.01827 -0.02210 0.00000 -0.02210 2.74532 R8 3.07502 -0.03112 -0.05473 0.00000 -0.05473 3.02029 R9 2.82871 -0.05477 -0.07896 0.00000 -0.07896 2.74974 R10 2.85860 0.21723 0.30341 0.00000 0.30341 3.16201 R11 2.81542 -0.05599 -0.06988 0.00000 -0.06988 2.74553 R12 2.64465 0.01340 0.02522 0.00000 0.02522 2.66987 R13 2.05385 -0.00462 -0.01090 0.00000 -0.01090 2.04294 R14 2.05378 -0.00536 -0.01264 0.00000 -0.01264 2.04114 R15 2.05577 -0.00338 -0.00747 0.00000 -0.00747 2.04830 R16 2.61246 0.01112 0.04575 0.00000 0.04659 2.65906 R17 2.59304 0.03360 0.10291 0.00000 0.10381 2.69685 R18 2.53586 0.03774 0.07748 0.00000 0.07742 2.61328 R19 1.99911 0.01333 0.03223 0.00000 0.03223 2.03135 R20 2.65396 0.00490 0.03670 0.00000 0.03581 2.68977 R21 2.00336 0.00849 0.01629 0.00000 0.01629 2.01965 R22 2.75918 -0.02506 -0.04718 0.00000 -0.04802 2.71116 R23 2.26799 0.18025 0.20534 0.00000 0.20534 2.47333 R24 2.57146 0.01076 0.02221 0.00000 0.02228 2.59374 R25 2.68637 -0.04769 -0.10092 0.00000 -0.10092 2.58544 R26 2.00634 0.00635 0.00816 0.00000 0.00816 2.01451 R27 2.74350 -0.02620 -0.04865 0.00000 -0.04865 2.69485 R28 2.70631 -0.01712 -0.03857 0.00000 -0.03857 2.66774 R29 2.06647 -0.01264 -0.03196 0.00000 -0.03196 2.03451 R30 2.06680 -0.00935 -0.02573 0.00000 -0.02573 2.04106 R31 2.06851 -0.00999 -0.02729 0.00000 -0.02729 2.04121 R32 2.06845 -0.01111 -0.02868 0.00000 -0.02868 2.03977 R33 2.06600 -0.00975 -0.02341 0.00000 -0.02341 2.04259 R34 2.06746 -0.00979 -0.02359 0.00000 -0.02359 2.04387 A1 1.90586 0.00130 -0.00809 0.00000 -0.00773 1.89813 A2 1.90726 0.00073 -0.00499 0.00000 -0.00501 1.90224 A3 1.89117 -0.00956 -0.04056 0.00000 -0.04038 1.85079 A4 1.90748 -0.00161 -0.00515 0.00000 -0.00602 1.90146 A5 1.93205 0.00587 0.04128 0.00000 0.04097 1.97302 A6 1.91976 0.00318 0.01709 0.00000 0.01658 1.93634 A7 2.16386 0.02299 0.19053 0.00000 0.19053 2.35439 A8 2.01839 -0.01129 0.07455 0.00000 0.07478 2.09318 A9 1.86043 0.02206 0.01093 0.00000 0.01094 1.87136 A10 1.74045 0.01018 0.01572 0.00000 0.01407 1.75451 A11 2.15233 -0.02944 -0.12649 0.00000 -0.12539 2.02694 A12 1.71411 -0.00088 -0.00144 0.00000 -0.00319 1.71093 A13 1.92589 0.01828 0.05964 0.00000 0.05772 1.98361 A14 1.91246 -0.01245 0.00855 0.00000 0.00796 1.92042 A15 1.88384 -0.00127 -0.02997 0.00000 -0.03041 1.85344 A16 1.82161 -0.00109 -0.02423 0.00000 -0.02403 1.79758 A17 1.97152 -0.00142 -0.01740 0.00000 -0.01776 1.95376 A18 1.90643 0.02111 0.04065 0.00000 0.04069 1.94713 A19 1.96147 -0.00572 0.02130 0.00000 0.02050 1.98196 A20 2.07133 0.00217 0.00383 0.00000 0.00383 2.07516 A21 1.91862 0.00363 0.01565 0.00000 0.01554 1.93416 A22 1.89682 -0.00881 -0.02900 0.00000 -0.02892 1.86790 A23 1.92006 0.00432 0.01730 0.00000 0.01720 1.93726 A24 1.91083 0.00117 0.00108 0.00000 0.00115 1.91197 A25 1.90844 -0.00093 -0.00452 0.00000 -0.00478 1.90366 A26 1.90899 0.00060 -0.00061 0.00000 -0.00052 1.90846 A27 2.05964 0.01069 0.00078 0.00000 -0.00013 2.05952 A28 2.05004 0.02245 0.11663 0.00000 0.11572 2.16577 A29 2.17309 -0.03312 -0.11731 0.00000 -0.11550 2.05759 A30 2.07959 0.00442 0.03387 0.00000 0.03467 2.11427 A31 2.09631 -0.00093 -0.01622 0.00000 -0.01663 2.07968 A32 2.10727 -0.00349 -0.01763 0.00000 -0.01804 2.08923 A33 2.07500 0.01379 0.04631 0.00000 0.04535 2.12035 A34 2.06257 0.00011 -0.00448 0.00000 -0.00400 2.05857 A35 2.14561 -0.01391 -0.04184 0.00000 -0.04136 2.10426 A36 2.11726 -0.01630 -0.07114 0.00000 -0.07297 2.04429 A37 2.15246 -0.00015 0.03652 0.00000 0.03744 2.18990 A38 2.01346 0.01644 0.03462 0.00000 0.03553 2.04900 A39 2.04707 0.01817 0.06453 0.00000 0.06375 2.11081 A40 2.22058 -0.00472 -0.03213 0.00000 -0.03174 2.18885 A41 2.01553 -0.01344 -0.03240 0.00000 -0.03201 1.98352 A42 2.07429 0.01304 0.04374 0.00000 0.04471 2.11900 A43 2.09887 -0.00499 -0.01357 0.00000 -0.01405 2.08482 A44 2.11000 -0.00805 -0.03017 0.00000 -0.03065 2.07935 A45 2.15481 0.00192 0.05838 0.00000 0.05838 2.21320 A46 2.11064 0.01918 0.03104 0.00000 0.03104 2.14169 A47 1.88650 -0.01042 -0.03357 0.00000 -0.03378 1.85272 A48 1.91675 -0.00005 -0.00339 0.00000 -0.00353 1.91323 A49 1.91664 0.00005 -0.00301 0.00000 -0.00314 1.91350 A50 1.91129 0.00389 0.01329 0.00000 0.01306 1.92435 A51 1.91060 0.00393 0.01335 0.00000 0.01313 1.92373 A52 1.92169 0.00241 0.01296 0.00000 0.01289 1.93458 A53 1.88903 -0.01418 -0.04563 0.00000 -0.04556 1.84347 A54 1.92105 0.00664 0.02103 0.00000 0.02075 1.94180 A55 1.91991 0.00641 0.02039 0.00000 0.02012 1.94002 A56 1.91289 0.00032 0.00045 0.00000 0.00052 1.91342 A57 1.91147 0.00048 0.00096 0.00000 0.00102 1.91249 A58 1.90937 0.00021 0.00267 0.00000 0.00211 1.91148 D1 -3.13011 0.00238 0.02275 0.00000 0.02243 -3.10768 D2 1.06360 0.00324 0.03276 0.00000 0.03372 1.09732 D3 -1.04621 -0.00065 0.00221 0.00000 0.00157 -1.04464 D4 -0.52447 -0.01495 -0.06626 0.00000 -0.06688 -0.59136 D5 -2.98816 0.01749 0.03580 0.00000 0.03567 -2.95248 D6 1.29176 -0.01383 -0.03874 0.00000 -0.03799 1.25377 D7 0.28823 -0.00090 0.00721 0.00000 0.00767 0.29590 D8 -1.86525 0.00941 0.04273 0.00000 0.04344 -1.82181 D9 2.32801 0.01719 0.04562 0.00000 0.04572 2.37373 D10 2.62706 -0.01577 -0.03477 0.00000 -0.03553 2.59153 D11 0.47358 -0.00546 0.00075 0.00000 0.00024 0.47382 D12 -1.61634 0.00232 0.00365 0.00000 0.00252 -1.61382 D13 -1.54404 -0.00894 -0.02978 0.00000 -0.02937 -1.57340 D14 2.58566 0.00137 0.00574 0.00000 0.00641 2.59207 D15 0.49574 0.00915 0.00864 0.00000 0.00869 0.50443 D16 1.30417 0.01508 -0.01495 0.00000 -0.01409 1.29008 D17 -2.92078 0.00562 0.06633 0.00000 0.06738 -2.85340 D18 -0.64839 -0.02044 -0.05301 0.00000 -0.05492 -0.70331 D19 1.12432 -0.00245 0.00993 0.00000 0.01068 1.13500 D20 -1.98794 -0.00266 0.00864 0.00000 0.00889 -1.97905 D21 -0.99286 0.01501 0.03167 0.00000 0.03167 -0.96119 D22 2.17806 0.01480 0.03037 0.00000 0.02989 2.20795 D23 3.12353 -0.00765 -0.02571 0.00000 -0.02573 3.09780 D24 0.01127 -0.00785 -0.02701 0.00000 -0.02751 -0.01624 D25 1.05136 0.00195 0.00774 0.00000 0.00800 1.05937 D26 -3.14081 0.00015 0.00078 0.00000 0.00079 -3.14002 D27 -1.05119 -0.00194 -0.00726 0.00000 -0.00754 -1.05873 D28 -3.11811 -0.00082 -0.00400 0.00000 -0.00384 -3.12195 D29 0.01701 -0.00021 -0.00182 0.00000 -0.00164 0.01536 D30 -0.00810 0.00049 0.00216 0.00000 0.00193 -0.00617 D31 3.12701 0.00110 0.00434 0.00000 0.00413 3.13114 D32 3.11651 0.00105 0.00362 0.00000 0.00343 3.11994 D33 -0.01734 0.00074 0.00256 0.00000 0.00235 -0.01499 D34 0.00634 -0.00007 -0.00061 0.00000 -0.00048 0.00586 D35 -3.12751 -0.00038 -0.00167 0.00000 -0.00156 -3.12906 D36 -0.00034 -0.00031 -0.00144 0.00000 -0.00145 -0.00179 D37 -3.14085 -0.00012 -0.00064 0.00000 -0.00065 -3.14149 D38 -3.13541 -0.00093 -0.00364 0.00000 -0.00367 -3.13908 D39 0.00726 -0.00074 -0.00285 0.00000 -0.00286 0.00440 D40 0.00986 -0.00002 -0.00000 0.00000 -0.00003 0.00983 D41 -3.12863 -0.00015 -0.00062 0.00000 -0.00064 -3.12928 D42 -3.13287 -0.00022 -0.00082 0.00000 -0.00083 -3.13370 D43 0.01182 -0.00035 -0.00143 0.00000 -0.00144 0.01038 D44 -0.01139 0.00037 0.00131 0.00000 0.00129 -0.01009 D45 3.12811 0.00034 0.00116 0.00000 0.00113 3.12924 D46 3.12734 0.00046 0.00191 0.00000 0.00188 3.12922 D47 -0.01635 0.00044 0.00176 0.00000 0.00172 -0.01463 D48 -0.00686 -0.00016 -0.00053 0.00000 -0.00050 -0.00736 D49 3.13767 -0.00023 -0.00091 0.00000 -0.00094 3.13673 D50 0.00333 -0.00029 -0.00089 0.00000 -0.00093 0.00240 D51 3.13713 0.00004 0.00027 0.00000 0.00022 3.13734 D52 -3.13642 -0.00027 -0.00074 0.00000 -0.00077 -3.13719 D53 -0.00262 0.00006 0.00042 0.00000 0.00037 -0.00224 D54 -0.01708 -0.00015 -0.00049 0.00000 -0.00049 -0.01757 D55 3.12245 -0.00014 -0.00054 0.00000 -0.00054 3.12191 D56 -3.13845 -0.00005 -0.00018 0.00000 -0.00017 -3.13862 D57 1.06050 0.00150 0.00598 0.00000 0.00584 1.06634 D58 -1.05512 -0.00149 -0.00601 0.00000 -0.00588 -1.06100 D59 -3.13986 0.00022 0.00071 0.00000 0.00070 -3.13916 D60 1.05311 0.00456 0.01544 0.00000 0.01594 1.06904 D61 -1.05205 -0.00404 -0.01369 0.00000 -0.01418 -1.06623 Item Value Threshold Converged? Maximum Force 0.217234 0.000450 NO RMS Force 0.026960 0.000300 NO Maximum Displacement 0.999507 0.001800 NO RMS Displacement 0.232814 0.001200 NO Predicted change in Energy=-3.805559D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.567162 -0.300524 -0.024286 2 1 0 -0.426984 -0.477476 -0.414156 3 1 0 0.687201 0.745051 0.146886 4 1 0 0.675180 -0.825008 0.915723 5 8 0 1.473520 -0.815276 -1.004184 6 15 0 3.093186 -0.948377 -1.114693 7 16 0 4.338744 0.539686 -0.256446 8 8 0 3.401085 -1.329850 -2.482244 9 8 0 3.364226 -2.108220 -0.048973 10 6 0 3.018851 -3.436809 -0.383142 11 1 0 3.566280 -3.768598 -1.254332 12 1 0 3.279491 -4.053936 0.464145 13 1 0 1.956205 -3.524580 -0.577948 14 8 0 3.579588 1.337188 0.694864 15 6 0 4.909639 1.462052 -1.530470 16 8 0 5.371310 -0.239973 0.404449 17 6 0 3.978694 2.213210 -2.271463 18 6 0 4.376147 2.979865 -3.351578 19 6 0 5.739107 3.043225 -3.756905 20 6 0 6.682262 2.267302 -3.004092 21 6 0 6.277870 1.509767 -1.933345 22 1 0 3.626417 3.530239 -3.878099 23 8 0 6.202397 3.751140 -4.755533 24 8 0 8.025496 2.192608 -3.253091 25 1 0 7.002444 0.941142 -1.396614 26 1 0 2.941187 2.184378 -1.991729 27 6 0 5.449101 4.584380 -5.634099 28 6 0 8.642235 2.876720 -4.322922 29 1 0 6.156387 5.003453 -6.329247 30 1 0 4.971011 5.370027 -5.067733 31 1 0 4.716764 3.989287 -6.159740 32 1 0 9.690108 2.624623 -4.263634 33 1 0 8.520052 3.946348 -4.226485 34 1 0 8.244640 2.551936 -5.274884 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.082422 0.000000 3 H 1.066272 1.746639 0.000000 4 H 1.081836 1.761852 1.748239 0.000000 5 O 1.430613 2.018454 2.092338 2.079299 0.000000 6 P 2.826570 3.619958 3.201256 3.159836 1.628879 7 S 3.871005 4.875619 3.679486 4.081430 3.256462 8 O 3.890011 4.433694 4.310766 4.385385 2.482933 9 O 3.330456 4.143182 3.917394 3.131811 2.481714 10 C 3.996979 4.542290 4.817206 3.741838 3.105830 11 H 4.747131 5.242474 5.534034 4.661794 3.628268 12 H 4.656542 5.224981 5.463596 4.172809 3.988287 13 H 3.553944 3.871855 4.512815 3.340624 2.784778 14 O 3.503425 4.536028 3.002800 3.627597 3.457656 15 C 4.922638 5.786836 4.599629 5.398625 4.155733 16 O 4.823621 5.860609 4.793484 4.759970 4.184255 17 C 4.796583 5.486290 4.340256 5.504737 4.129603 18 C 6.028282 6.606945 5.553554 6.810586 5.323401 19 C 7.201535 7.847928 6.785495 7.901901 6.376577 20 C 7.270998 8.048786 6.941661 7.811041 6.374395 21 C 6.287594 7.156265 6.013961 6.705110 5.417651 22 H 6.235837 6.670138 5.709358 7.117493 5.637185 23 O 8.399795 8.982062 7.967915 9.146279 7.568822 24 O 8.501037 9.307702 8.216193 8.972857 7.552042 25 H 6.696108 7.627194 6.504086 6.964227 5.814465 26 H 3.959995 4.573705 3.424294 4.758621 3.482415 27 C 8.897506 9.348720 8.416409 9.744331 8.148476 28 C 9.684005 10.429757 9.370473 10.228400 8.719825 29 H 9.956110 10.410074 9.486109 10.793710 9.172957 30 H 8.774132 9.218862 8.181301 9.624675 8.185527 31 H 8.559524 8.911893 8.156958 9.464355 7.757719 32 H 10.476483 11.260420 10.199893 10.954206 9.485212 33 H 9.947002 10.684265 9.525136 10.523790 9.094498 34 H 9.728770 10.392356 9.474983 10.345245 8.684760 6 7 8 9 10 6 P 0.000000 7 S 2.121870 0.000000 8 O 1.452762 3.054267 0.000000 9 O 1.598268 2.829159 2.555001 0.000000 10 C 2.594800 4.191739 2.998601 1.412834 0.000000 11 H 2.863034 4.489297 2.735425 2.061691 1.081079 12 H 3.488830 4.768923 4.014553 2.014020 1.080127 13 H 2.866643 4.722088 3.245129 2.066014 1.083915 14 O 2.955485 1.455101 4.151984 3.531362 4.926213 15 C 3.046726 1.673265 3.313054 4.162929 5.374967 16 O 2.828335 1.452874 3.660958 2.779268 4.046495 17 C 3.481073 2.643976 3.596016 4.898141 6.034050 18 C 4.699013 3.941537 4.503347 6.149780 7.199136 19 C 5.469466 4.525697 5.120048 6.776888 7.795697 20 C 5.176088 4.003285 4.896729 6.235967 7.268207 21 C 4.105468 2.741032 4.079290 5.012984 6.123148 22 H 5.289494 4.750494 5.061586 6.820790 7.818159 23 O 6.708828 5.833389 6.231505 8.033619 8.995520 24 O 6.226252 5.030325 5.864051 7.105698 8.061850 25 H 4.351098 2.925140 4.393835 4.934712 6.005213 26 H 3.256754 2.769366 3.577975 4.730715 5.847335 27 C 7.522418 6.819942 7.007616 8.962770 9.890305 28 C 7.464318 6.365375 6.967997 8.424587 9.327645 29 H 8.485225 7.752931 7.905810 9.890091 10.790658 30 H 7.686025 6.846929 7.351039 9.148437 10.164481 31 H 7.243550 6.847738 6.599106 8.737873 9.560276 32 H 8.136433 7.002972 7.639570 8.954327 9.813503 33 H 7.943076 6.697006 7.555426 8.982870 9.977249 34 H 7.489783 6.670074 6.806403 8.534966 9.332902 11 12 13 14 15 11 H 0.000000 12 H 1.765454 0.000000 13 H 1.763344 1.765577 0.000000 14 O 5.465217 5.404397 5.281308 0.000000 15 C 5.407455 6.087856 5.873378 2.595523 0.000000 16 O 4.296613 4.350354 4.839080 2.404589 2.618003 17 C 6.081666 6.873830 6.315115 3.118620 1.407113 18 C 7.113092 8.076927 7.473750 4.439210 2.429981 19 C 7.575288 8.616070 8.219013 5.233768 2.853969 20 C 7.014492 7.972802 7.859242 4.916704 2.441758 21 C 5.972848 6.759661 6.771893 3.770675 1.427109 22 H 7.756339 8.746150 7.965618 5.071850 3.381630 23 O 8.703677 9.834004 9.403109 6.512536 4.160791 24 O 7.708153 8.681112 8.756650 6.007012 3.634515 25 H 5.831734 6.501815 6.788034 4.030766 2.160809 26 H 6.030955 6.712848 5.963318 2.888437 2.146932 27 C 9.617673 10.794271 10.174489 7.354938 5.184566 28 C 8.907403 9.985441 9.985213 7.292376 4.871484 29 H 10.460033 11.681737 11.110639 8.331838 6.092960 30 H 10.001488 11.057757 10.409671 7.169894 5.271458 31 H 9.250482 10.518318 9.758856 7.437230 5.277713 32 H 9.350425 10.394761 10.545627 7.973874 5.628023 33 H 9.638151 10.652231 10.592954 7.445507 5.145416 34 H 8.831820 10.061148 9.926211 7.673084 5.131346 16 17 18 19 20 16 O 0.000000 17 C 3.888186 0.000000 18 C 5.046330 1.382888 0.000000 19 C 5.313334 2.448371 1.423364 0.000000 20 C 4.429805 2.801598 2.438577 1.434686 0.000000 21 C 3.057567 2.428037 2.790900 2.442771 1.372549 22 H 5.966520 2.107118 1.068752 2.171481 3.420100 23 O 6.576101 3.671606 2.429227 1.308832 2.345121 24 O 5.132226 4.164208 3.734598 2.490974 1.368158 25 H 2.701750 3.395082 3.856905 3.403784 2.108365 26 H 4.186245 1.074943 2.130985 3.417868 3.876518 27 C 7.729456 4.369425 2.989248 2.446042 3.715706 28 C 6.539171 5.137835 4.376489 2.962474 2.439713 29 H 8.570444 5.384553 4.016301 3.260914 4.338170 30 H 7.847108 4.332357 3.001987 2.778894 4.100475 31 H 7.836047 4.337960 3.003452 2.777379 4.097136 32 H 6.974878 6.062859 5.403354 4.005298 3.280437 33 H 6.991810 5.239257 4.344134 2.961383 2.773249 34 H 6.950223 5.228152 4.341367 2.970407 2.771017 21 22 23 24 25 21 C 0.000000 22 H 3.859349 0.000000 23 O 3.604746 2.730268 0.000000 24 O 2.293948 4.640236 2.830202 0.000000 25 H 1.066031 4.925317 4.451798 2.461567 0.000000 26 H 3.404697 2.416459 4.552894 5.238444 4.288776 27 C 4.882181 2.741702 1.426051 4.245890 5.800202 28 C 3.628893 5.077734 2.627655 1.411707 3.872811 29 H 5.616453 3.818276 2.011710 4.566963 6.445855 30 H 5.141389 2.570599 2.057808 4.766424 6.100726 31 H 5.142711 2.570110 2.058061 4.756508 6.099417 32 H 4.279781 6.143055 3.697991 1.994685 4.275214 33 H 4.027754 4.923635 2.385271 2.065838 4.398019 34 H 4.014995 4.923014 2.424576 2.065136 4.379348 26 27 28 29 30 26 H 0.000000 27 C 5.031551 0.000000 28 C 6.198044 3.851154 0.000000 29 H 6.090874 1.076617 3.837677 0.000000 30 H 4.871380 1.080084 4.499912 1.769437 0.000000 31 H 4.876749 1.080163 4.474486 1.769118 1.778641 32 H 7.134655 4.868774 1.079401 4.734213 5.518487 33 H 6.262779 3.437906 1.080894 3.335564 3.915386 34 H 6.248265 3.474896 1.081572 3.388571 4.324488 31 32 33 34 31 H 0.000000 32 H 5.494695 0.000000 33 H 4.266652 1.765608 0.000000 34 H 3.910864 1.765584 1.766176 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.914122 2.143403 -0.568136 2 1 0 4.372405 3.015705 -0.120136 3 1 0 3.276457 2.460560 -1.361692 4 1 0 4.689640 1.507348 -0.973567 5 8 0 3.209222 1.481623 0.486291 6 15 0 2.330049 0.115174 0.600837 7 16 0 1.151761 -0.526532 -1.042995 8 8 0 1.667178 0.137304 1.893366 9 8 0 3.484379 -0.984785 0.490966 10 6 0 4.339814 -1.189552 1.596589 11 1 0 3.777644 -1.506804 2.463797 12 1 0 5.039134 -1.963523 1.316244 13 1 0 4.884347 -0.284302 1.839233 14 8 0 1.580046 0.150539 -2.257683 15 6 0 -0.433790 -0.163374 -0.650618 16 8 0 1.423208 -1.952580 -1.102545 17 6 0 -0.786830 1.191896 -0.514334 18 6 0 -2.073027 1.564593 -0.169120 19 6 0 -3.091268 0.596801 0.060076 20 6 0 -2.723025 -0.783681 -0.070268 21 6 0 -1.443750 -1.143418 -0.413686 22 1 0 -2.285154 2.608260 -0.079728 23 8 0 -4.333359 0.861543 0.376560 24 8 0 -3.559051 -1.849002 0.124691 25 1 0 -1.200546 -2.177848 -0.498708 26 1 0 -0.039450 1.946847 -0.678576 27 6 0 -4.911280 2.151945 0.562276 28 6 0 -4.909882 -1.698802 0.506284 29 1 0 -5.944043 1.983925 0.815799 30 1 0 -4.838629 2.717313 -0.355145 31 1 0 -4.407021 2.662742 1.369471 32 1 0 -5.303468 -2.700964 0.582884 33 1 0 -5.467583 -1.145391 -0.236035 34 1 0 -4.992137 -1.202949 1.463969 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6489547 0.1663159 0.1557127 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1914.7656720987 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 4.21D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999664 0.025520 0.003815 -0.002489 Ang= 2.97 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.56378486 A.U. after 17 cycles NFock= 17 Conv=0.48D-08 -V/T= 2.0016 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.001932956 -0.014835088 0.001071796 2 1 0.003248184 -0.001319187 -0.001269038 3 1 0.006885753 0.010319170 -0.001751560 4 1 0.002555410 -0.001032101 -0.000901326 5 8 0.026038952 0.028552324 0.001588841 6 15 -0.055661864 -0.070586294 -0.003290498 7 16 0.007077808 -0.019385139 0.106060540 8 8 0.010394500 0.017539119 0.001916729 9 8 0.002588779 0.023584363 -0.003323299 10 6 -0.002466957 -0.010841560 -0.002615785 11 1 0.000445479 0.001765185 0.000612115 12 1 0.000397089 0.002350809 0.000425931 13 1 0.000965080 0.001429437 0.000745005 14 8 -0.010019106 -0.001656726 -0.031704437 15 6 0.025312684 0.042447737 -0.065520168 16 8 -0.001920886 0.012254407 -0.034698277 17 6 0.012645479 -0.009828363 0.011004194 18 6 0.024291057 -0.000037000 -0.004936127 19 6 -0.024823369 -0.025754474 0.039061706 20 6 0.006517161 0.010364290 -0.014584259 21 6 -0.035553676 -0.006147530 0.013474820 22 1 -0.000157381 0.003020469 -0.003949467 23 8 0.008250078 0.017276502 -0.023928597 24 8 -0.012963421 0.004524232 -0.000915861 25 1 0.004671499 -0.002345202 0.001356691 26 1 -0.000482868 0.002952960 -0.001746391 27 6 -0.002882744 -0.013529889 0.017248398 28 6 0.000745191 -0.001206385 0.000932785 29 1 0.001534710 -0.000753597 0.000678590 30 1 -0.002076308 0.001934988 -0.001004244 31 1 -0.002191551 0.001080126 -0.001641623 32 1 0.000229809 -0.001252690 0.001430523 33 1 0.002258632 -0.001191383 -0.000415819 34 1 0.002213842 0.000306490 0.000588115 ------------------------------------------------------------------- Cartesian Forces: Max 0.106060540 RMS 0.019646627 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.039647617 RMS 0.010913626 Search for a local minimum. Step number 3 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 2 3 ITU= 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00836 0.01053 0.01132 0.01621 0.01776 Eigenvalues --- 0.01787 0.01788 0.02409 0.02429 0.02543 Eigenvalues --- 0.02676 0.02721 0.02757 0.02847 0.02861 Eigenvalues --- 0.02866 0.03729 0.05054 0.05232 0.07006 Eigenvalues --- 0.09538 0.09978 0.10069 0.10113 0.10140 Eigenvalues --- 0.10305 0.10502 0.10540 0.10586 0.10696 Eigenvalues --- 0.10750 0.14255 0.15101 0.15965 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16152 0.19598 0.20199 Eigenvalues --- 0.22029 0.22351 0.23561 0.24106 0.24783 Eigenvalues --- 0.24992 0.25000 0.25000 0.25000 0.25000 Eigenvalues --- 0.25000 0.27724 0.33450 0.33472 0.33539 Eigenvalues --- 0.33635 0.33695 0.33795 0.34512 0.34790 Eigenvalues --- 0.34822 0.34830 0.34840 0.34863 0.34919 Eigenvalues --- 0.36214 0.36785 0.38572 0.38734 0.39075 Eigenvalues --- 0.39333 0.40001 0.43358 0.43917 0.44724 Eigenvalues --- 0.46789 0.47085 0.49558 0.52473 0.56099 Eigenvalues --- 0.60736 0.66207 0.72528 0.78247 0.87506 Eigenvalues --- 1.28982 RFO step: Lambda=-6.03589206D-02 EMin= 8.36339281D-03 Quartic linear search produced a step of 0.07489. Iteration 1 RMS(Cart)= 0.18179420 RMS(Int)= 0.00751587 Iteration 2 RMS(Cart)= 0.01543430 RMS(Int)= 0.00160511 Iteration 3 RMS(Cart)= 0.00009356 RMS(Int)= 0.00160463 Iteration 4 RMS(Cart)= 0.00000018 RMS(Int)= 0.00160463 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.04548 -0.00231 -0.00067 -0.00650 -0.00717 2.03831 R2 2.01496 0.01061 -0.00228 0.02418 0.02190 2.03686 R3 2.04437 -0.00003 -0.00076 -0.00089 -0.00165 2.04273 R4 2.70347 -0.01369 0.00357 -0.02277 -0.01921 2.68426 R5 3.07814 -0.03874 -0.00134 -0.08137 -0.08271 2.99543 R6 4.00975 0.01349 0.01376 0.04831 0.06207 4.07182 R7 2.74532 -0.00421 -0.00166 -0.00652 -0.00818 2.73715 R8 3.02029 -0.01572 -0.00410 -0.03694 -0.04104 2.97925 R9 2.74974 -0.01641 -0.00591 -0.02877 -0.03468 2.71506 R10 3.16201 0.03965 0.02272 0.06622 0.08894 3.25096 R11 2.74553 -0.02373 -0.00523 -0.03649 -0.04173 2.70381 R12 2.66987 0.00534 0.00189 0.01256 0.01445 2.68432 R13 2.04294 -0.00081 -0.00082 -0.00290 -0.00371 2.03923 R14 2.04114 -0.00091 -0.00095 -0.00330 -0.00424 2.03690 R15 2.04830 -0.00120 -0.00056 -0.00362 -0.00418 2.04413 R16 2.65906 -0.02214 0.00349 -0.03734 -0.03384 2.62522 R17 2.69685 -0.03213 0.00777 -0.04480 -0.03702 2.65983 R18 2.61328 -0.00890 0.00580 -0.00740 -0.00160 2.61168 R19 2.03135 -0.00007 0.00241 0.00246 0.00487 2.03622 R20 2.68977 -0.02948 0.00268 -0.05443 -0.05175 2.63801 R21 2.01965 0.00361 0.00122 0.00955 0.01077 2.03042 R22 2.71116 -0.01606 -0.00360 -0.04229 -0.04590 2.66526 R23 2.47333 0.01078 0.01538 0.02738 0.04276 2.51609 R24 2.59374 -0.00039 0.00167 0.00170 0.00336 2.59710 R25 2.58544 -0.00774 -0.00756 -0.02564 -0.03320 2.55225 R26 2.01451 0.00511 0.00061 0.01238 0.01299 2.02750 R27 2.69485 -0.01303 -0.00364 -0.03542 -0.03907 2.65578 R28 2.66774 -0.00116 -0.00289 -0.00566 -0.00855 2.65919 R29 2.03451 0.00028 -0.00239 -0.00168 -0.00408 2.03043 R30 2.04106 0.00180 -0.00193 0.00272 0.00080 2.04186 R31 2.04121 0.00169 -0.00204 0.00234 0.00029 2.04150 R32 2.03977 0.00059 -0.00215 -0.00062 -0.00276 2.03701 R33 2.04259 -0.00147 -0.00175 -0.00563 -0.00738 2.03522 R34 2.04387 -0.00142 -0.00177 -0.00552 -0.00729 2.03658 A1 1.89813 0.00527 -0.00058 0.02470 0.02392 1.92205 A2 1.90224 0.00336 -0.00038 0.01766 0.01720 1.91945 A3 1.85079 -0.00145 -0.00302 -0.00839 -0.01155 1.83924 A4 1.90146 0.00382 -0.00045 0.01510 0.01434 1.91580 A5 1.97302 -0.00859 0.00307 -0.03834 -0.03552 1.93749 A6 1.93634 -0.00200 0.00124 -0.00870 -0.00766 1.92868 A7 2.35439 -0.02593 0.01427 -0.06696 -0.05269 2.30170 A8 2.09318 -0.03643 0.00560 -0.15392 -0.15060 1.94257 A9 1.87136 0.02402 0.00082 0.09296 0.08030 1.95167 A10 1.75451 0.01469 0.00105 0.07497 0.07271 1.82723 A11 2.02694 -0.00690 -0.00939 -0.05656 -0.06729 1.95965 A12 1.71093 -0.00183 -0.00024 -0.00677 -0.00298 1.70795 A13 1.98361 0.00926 0.00432 0.07475 0.07486 2.05848 A14 1.92042 -0.01188 0.00060 -0.04384 -0.04520 1.87522 A15 1.85344 0.00059 -0.00228 -0.02778 -0.03186 1.82157 A16 1.79758 0.00680 -0.00180 0.03258 0.02949 1.82707 A17 1.95376 -0.00291 -0.00133 -0.02846 -0.03177 1.92199 A18 1.94713 0.02202 0.00305 0.13194 0.13567 2.08279 A19 1.98196 -0.01540 0.00153 -0.06937 -0.06747 1.91449 A20 2.07516 0.00346 0.00029 0.01190 0.01218 2.08734 A21 1.93416 -0.00161 0.00116 -0.00638 -0.00526 1.92890 A22 1.86790 -0.00277 -0.00217 -0.01523 -0.01744 1.85046 A23 1.93726 -0.00112 0.00129 -0.00402 -0.00276 1.93450 A24 1.91197 0.00194 0.00009 0.00897 0.00900 1.92097 A25 1.90366 0.00193 -0.00036 0.00932 0.00894 1.91260 A26 1.90846 0.00163 -0.00004 0.00731 0.00722 1.91569 A27 2.05952 0.00770 -0.00001 0.02570 0.02567 2.08518 A28 2.16577 -0.01728 0.00867 -0.04603 -0.03739 2.12838 A29 2.05759 0.00959 -0.00865 0.02049 0.01186 2.06945 A30 2.11427 -0.00681 0.00260 -0.02469 -0.02208 2.09218 A31 2.07968 0.00672 -0.00125 0.02801 0.02675 2.10643 A32 2.08923 0.00010 -0.00135 -0.00329 -0.00466 2.08457 A33 2.12035 -0.00037 0.00340 0.00264 0.00604 2.12639 A34 2.05857 0.00364 -0.00030 0.01600 0.01570 2.07427 A35 2.10426 -0.00327 -0.00310 -0.01865 -0.02174 2.08252 A36 2.04429 0.00917 -0.00546 0.02831 0.02283 2.06712 A37 2.18990 -0.02224 0.00280 -0.07267 -0.06986 2.12004 A38 2.04900 0.01307 0.00266 0.04436 0.04703 2.09603 A39 2.11081 -0.01163 0.00477 -0.03082 -0.02607 2.08475 A40 2.18885 0.01857 -0.00238 0.05809 0.05572 2.24456 A41 1.98352 -0.00693 -0.00240 -0.02726 -0.02965 1.95387 A42 2.11900 0.00006 0.00335 0.00409 0.00744 2.12644 A43 2.08482 0.00171 -0.00105 0.00707 0.00601 2.09083 A44 2.07935 -0.00177 -0.00230 -0.01114 -0.01344 2.06591 A45 2.21320 -0.03226 0.00437 -0.10246 -0.09809 2.11510 A46 2.14169 0.02626 0.00232 0.09016 0.09248 2.23417 A47 1.85272 -0.00400 -0.00253 -0.02198 -0.02446 1.82825 A48 1.91323 0.00349 -0.00026 0.01672 0.01639 1.92962 A49 1.91350 0.00351 -0.00024 0.01685 0.01655 1.93005 A50 1.92435 -0.00035 0.00098 -0.00183 -0.00081 1.92354 A51 1.92373 -0.00028 0.00098 -0.00140 -0.00037 1.92336 A52 1.93458 -0.00233 0.00097 -0.00845 -0.00764 1.92694 A53 1.84347 -0.00436 -0.00341 -0.02567 -0.02906 1.81442 A54 1.94180 0.00263 0.00155 0.01488 0.01626 1.95806 A55 1.94002 0.00250 0.00151 0.01428 0.01561 1.95563 A56 1.91342 -0.00069 0.00004 -0.00555 -0.00548 1.90793 A57 1.91249 -0.00061 0.00008 -0.00509 -0.00499 1.90750 A58 1.91148 0.00032 0.00016 0.00568 0.00552 1.91701 D1 -3.10768 -0.00042 0.00168 -0.00030 0.00147 -3.10621 D2 1.09732 -0.00108 0.00253 -0.00345 -0.00085 1.09647 D3 -1.04464 0.00167 0.00012 0.01126 0.01121 -1.03343 D4 -0.59136 -0.00630 -0.00501 -0.05790 -0.06326 -0.65461 D5 -2.95248 0.01439 0.00267 0.08142 0.09047 -2.86201 D6 1.25377 -0.01189 -0.00285 -0.07195 -0.08083 1.17294 D7 0.29590 -0.00512 0.00057 -0.02225 -0.02363 0.27227 D8 -1.82181 0.00471 0.00325 0.05342 0.05345 -1.76836 D9 2.37373 0.01864 0.00342 0.12839 0.12944 2.50317 D10 2.59153 -0.01648 -0.00266 -0.11724 -0.11626 2.47527 D11 0.47382 -0.00666 0.00002 -0.04157 -0.03918 0.43465 D12 -1.61382 0.00728 0.00019 0.03340 0.03681 -1.57701 D13 -1.57340 -0.00972 -0.00220 -0.05777 -0.05997 -1.63337 D14 2.59207 0.00011 0.00048 0.01790 0.01712 2.60919 D15 0.50443 0.01404 0.00065 0.09287 0.09310 0.59753 D16 1.29008 0.02539 -0.00106 0.11323 0.11516 1.40524 D17 -2.85340 -0.00946 0.00505 -0.03005 -0.02548 -2.87888 D18 -0.70331 -0.01454 -0.00411 -0.06710 -0.07373 -0.77704 D19 1.13500 -0.00366 0.00080 -0.00757 -0.00691 1.12809 D20 -1.97905 -0.00444 0.00067 -0.01487 -0.01431 -1.99336 D21 -0.96119 0.01211 0.00237 0.07970 0.08129 -0.87990 D22 2.20795 0.01132 0.00224 0.07240 0.07389 2.28184 D23 3.09780 -0.00278 -0.00193 -0.01930 -0.02035 3.07746 D24 -0.01624 -0.00356 -0.00206 -0.02659 -0.02775 -0.04398 D25 1.05937 0.00025 0.00060 0.00182 0.00240 1.06176 D26 -3.14002 -0.00000 0.00006 -0.00020 -0.00013 -3.14016 D27 -1.05873 -0.00035 -0.00056 -0.00293 -0.00348 -1.06221 D28 -3.12195 -0.00025 -0.00029 -0.00470 -0.00514 -3.12709 D29 0.01536 0.00030 -0.00012 0.00200 0.00180 0.01717 D30 -0.00617 0.00005 0.00014 0.00105 0.00120 -0.00497 D31 3.13114 0.00060 0.00031 0.00775 0.00815 3.13929 D32 3.11994 0.00087 0.00026 0.00884 0.00902 3.12895 D33 -0.01499 0.00058 0.00018 0.00560 0.00569 -0.00930 D34 0.00586 0.00011 -0.00004 0.00148 0.00147 0.00733 D35 -3.12906 -0.00017 -0.00012 -0.00176 -0.00185 -3.13092 D36 -0.00179 -0.00006 -0.00011 -0.00103 -0.00119 -0.00298 D37 -3.14149 0.00003 -0.00005 0.00018 0.00011 -3.14138 D38 -3.13908 -0.00062 -0.00027 -0.00784 -0.00812 3.13598 D39 0.00440 -0.00054 -0.00021 -0.00663 -0.00682 -0.00242 D40 0.00983 -0.00008 -0.00000 -0.00120 -0.00121 0.00862 D41 -3.12928 -0.00014 -0.00005 -0.00182 -0.00186 -3.13114 D42 -3.13370 -0.00016 -0.00006 -0.00241 -0.00248 -3.13618 D43 0.01038 -0.00022 -0.00011 -0.00303 -0.00313 0.00725 D44 -0.01009 0.00028 0.00010 0.00380 0.00389 -0.00620 D45 3.12924 0.00029 0.00008 0.00384 0.00390 3.13315 D46 3.12922 0.00029 0.00014 0.00420 0.00436 3.13358 D47 -0.01463 0.00030 0.00013 0.00424 0.00438 -0.01025 D48 -0.00736 -0.00012 -0.00004 -0.00112 -0.00116 -0.00852 D49 3.13673 -0.00018 -0.00007 -0.00172 -0.00179 3.13494 D50 0.00240 -0.00031 -0.00007 -0.00399 -0.00406 -0.00167 D51 3.13734 -0.00001 0.00002 -0.00069 -0.00071 3.13663 D52 -3.13719 -0.00034 -0.00006 -0.00413 -0.00418 -3.14137 D53 -0.00224 -0.00004 0.00003 -0.00083 -0.00083 -0.00307 D54 -0.01757 -0.00014 -0.00004 -0.00211 -0.00214 -0.01971 D55 3.12191 -0.00014 -0.00004 -0.00208 -0.00213 3.11978 D56 -3.13862 -0.00004 -0.00001 -0.00033 -0.00034 -3.13897 D57 1.06634 0.00081 0.00044 0.00549 0.00609 1.07243 D58 -1.06100 -0.00080 -0.00044 -0.00557 -0.00617 -1.06717 D59 -3.13916 0.00027 0.00005 0.00398 0.00403 -3.13513 D60 1.06904 0.00230 0.00119 0.01806 0.01951 1.08855 D61 -1.06623 -0.00173 -0.00106 -0.00979 -0.01111 -1.07734 Item Value Threshold Converged? Maximum Force 0.039648 0.000450 NO RMS Force 0.010914 0.000300 NO Maximum Displacement 0.778221 0.001800 NO RMS Displacement 0.185891 0.001200 NO Predicted change in Energy=-3.743708D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.782347 -0.106952 0.007627 2 1 0 -0.240789 -0.117632 -0.333719 3 1 0 1.099018 0.905469 0.198696 4 1 0 0.877061 -0.695918 0.909088 5 8 0 1.537379 -0.686303 -1.046867 6 15 0 3.082456 -1.011207 -1.187414 7 16 0 4.290678 0.518572 -0.269386 8 8 0 3.458286 -1.254908 -2.564848 9 8 0 3.347728 -2.155415 -0.135781 10 6 0 3.016383 -3.497854 -0.461098 11 1 0 3.576107 -3.827399 -1.322838 12 1 0 3.283352 -4.087448 0.400839 13 1 0 1.957196 -3.595994 -0.657508 14 8 0 3.429952 1.296258 0.578317 15 6 0 4.843521 1.474754 -1.588334 16 8 0 5.392281 -0.187809 0.309119 17 6 0 3.924707 2.188143 -2.347775 18 6 0 4.357835 2.945272 -3.419779 19 6 0 5.707103 3.022281 -3.769492 20 6 0 6.641757 2.293665 -3.004800 21 6 0 6.204392 1.540569 -1.941627 22 1 0 3.633073 3.490616 -3.995769 23 8 0 6.117727 3.763355 -4.796612 24 8 0 7.980504 2.212812 -3.163901 25 1 0 6.929652 0.989541 -1.374625 26 1 0 2.874337 2.160412 -2.109022 27 6 0 5.205547 4.492187 -5.578800 28 6 0 8.774071 2.823555 -4.152540 29 1 0 5.810478 4.981770 -6.319630 30 1 0 4.688727 5.224546 -4.975442 31 1 0 4.497832 3.828663 -6.054154 32 1 0 9.774874 2.496691 -3.921228 33 1 0 8.729946 3.898491 -4.102829 34 1 0 8.511481 2.492215 -5.143866 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.078628 0.000000 3 H 1.077861 1.767847 0.000000 4 H 1.080964 1.768777 1.765888 0.000000 5 O 1.420449 1.998461 2.068169 2.064430 0.000000 6 P 2.745232 3.545592 3.086904 3.059166 1.585112 7 S 3.574409 4.576361 3.248920 3.810062 3.104329 8 O 3.885367 4.467044 4.227358 4.363878 2.513457 9 O 3.286023 4.131487 3.812818 3.053863 2.503145 10 C 4.087644 4.695880 4.847769 3.782189 3.230387 11 H 4.839107 5.413817 5.554374 4.698140 3.754871 12 H 4.717413 5.358972 5.453567 4.189395 4.088039 13 H 3.741135 4.127345 4.661837 3.468625 2.965494 14 O 3.050328 4.037974 2.393759 3.255062 3.186472 15 C 4.641338 5.473569 4.187944 5.165438 3.986719 16 O 4.620489 5.670065 4.431654 4.583159 4.116729 17 C 4.548604 5.169562 4.014261 5.311602 3.956530 18 C 5.817843 6.328704 5.279589 6.641773 5.174362 19 C 6.950679 7.552549 6.439088 7.683972 6.209096 20 C 7.012158 7.766496 6.550682 7.582074 6.226426 21 C 5.992703 6.846557 5.572179 6.442741 5.247910 22 H 6.090674 6.437148 5.540574 7.012867 5.525813 23 O 8.156363 8.683904 7.635971 8.938944 7.405378 24 O 8.200814 9.001697 7.769882 8.689583 7.375674 25 H 6.395489 7.329703 6.039760 6.685057 5.656191 26 H 3.741331 4.247963 3.170521 4.610501 3.319550 27 C 8.480858 8.855726 7.944029 9.367226 7.798117 28 C 9.474307 10.222605 9.028773 10.018460 8.621717 29 H 9.550465 9.922342 9.016799 10.432120 8.842424 30 H 8.277418 8.624649 7.636239 9.176513 7.765489 31 H 8.126444 8.411370 7.693838 9.059170 7.363567 32 H 10.152851 10.955291 9.735309 10.615827 9.287073 33 H 9.803252 10.526610 9.257017 10.387286 9.060478 34 H 9.645365 10.322357 9.273907 10.251187 8.690598 6 7 8 9 10 6 P 0.000000 7 S 2.154716 0.000000 8 O 1.448435 3.017824 0.000000 9 O 1.576552 2.838523 2.592973 0.000000 10 C 2.591392 4.218087 3.106742 1.420479 0.000000 11 H 2.862336 4.528558 2.859052 2.063199 1.079114 12 H 3.467876 4.762282 4.104776 2.006204 1.077882 13 H 2.868473 4.746097 3.372226 2.069069 1.081705 14 O 2.926253 1.436747 4.048301 3.525726 4.922898 15 C 3.072798 1.720333 3.213022 4.186339 5.416264 16 O 2.872784 1.430793 3.624738 2.872213 4.146627 17 C 3.505946 2.690929 3.481274 4.908392 6.059303 18 C 4.718450 3.977231 4.379682 6.149958 7.215758 19 C 5.461220 4.530514 4.980230 6.751225 7.790866 20 C 5.185913 4.020077 4.787527 6.235080 7.290778 21 C 4.102058 2.739191 3.967896 5.008184 6.143376 22 H 5.334459 4.811593 4.959646 6.845335 7.855757 23 O 6.710858 5.861954 6.102160 8.026711 9.007783 24 O 6.188027 4.986330 5.730131 7.050783 8.034883 25 H 4.340387 2.899578 4.301694 4.925005 6.023696 26 H 3.309356 2.843575 3.494737 4.769082 5.895065 27 C 7.353852 6.694512 6.720560 8.790254 9.737765 28 C 7.476085 6.363383 6.885651 8.388664 9.313319 29 H 8.348504 7.670423 7.650317 9.759331 10.678641 30 H 7.470868 6.667203 7.021985 8.926613 9.962745 31 H 7.008052 6.668070 6.252888 8.494650 9.335674 32 H 8.035393 6.879339 7.470846 8.790899 9.673896 33 H 8.031122 6.769508 7.530824 9.019730 10.030599 34 H 7.576397 6.743220 6.799048 8.564213 9.381116 11 12 13 14 15 11 H 0.000000 12 H 1.767596 0.000000 13 H 1.765527 1.766442 0.000000 14 O 5.466956 5.388625 5.256464 0.000000 15 C 5.457989 6.109748 5.908452 2.593148 0.000000 16 O 4.382737 4.434318 4.934562 2.475006 2.581778 17 C 6.112181 6.881079 6.339112 3.098750 1.389206 18 C 7.132835 8.075320 7.495424 4.423233 2.398439 19 C 7.579272 8.591534 8.218748 5.202693 2.810349 20 C 7.049442 7.974701 7.883082 4.914187 2.431181 21 C 6.008815 6.759748 6.787630 3.755971 1.407521 22 H 7.791094 8.768097 8.010781 5.077276 3.365209 23 O 8.726195 9.832715 9.412876 6.496196 4.141780 24 O 7.698855 8.629245 8.735244 5.962532 3.587172 25 H 5.869571 6.497968 6.801964 4.019447 2.152451 26 H 6.079839 6.745550 6.007017 2.877023 2.149170 27 C 9.485979 10.633017 10.009475 7.160782 5.015953 28 C 8.902877 9.931928 9.994781 7.298852 4.882994 29 H 10.371200 11.567272 10.976587 8.175058 5.968193 30 H 9.824313 10.844017 10.193515 6.918107 5.055433 31 H 9.047110 10.286239 9.523873 7.179353 5.060033 32 H 9.228784 10.206419 10.434978 7.870513 5.550224 33 H 9.694317 10.664128 10.672755 7.534897 5.225082 34 H 8.882325 10.068220 10.007616 7.745685 5.208739 16 17 18 19 20 16 O 0.000000 17 C 3.854607 0.000000 18 C 4.979052 1.382042 0.000000 19 C 5.199890 2.427756 1.395977 0.000000 20 C 4.324461 2.797352 2.411037 1.410394 0.000000 21 C 2.951723 2.404427 2.750981 2.404965 1.374329 22 H 5.929391 2.120701 1.074451 2.138257 3.386280 23 O 6.496649 3.645193 2.379526 1.331457 2.375960 24 O 4.952146 4.137168 3.704821 2.488038 1.350590 25 H 2.566058 3.378367 3.823844 3.370764 2.107391 26 H 4.207325 1.077520 2.129521 3.394782 3.874742 27 C 7.523618 4.169976 2.787998 2.384488 3.677183 28 C 6.356981 5.213181 4.478269 3.097178 2.478881 29 H 8.416635 5.209234 3.829703 3.217684 4.347991 30 H 7.597049 4.087555 2.779328 2.709498 4.035817 31 H 7.577818 4.093535 2.782069 2.707816 4.031277 32 H 6.656538 6.065921 5.458661 4.104391 3.270700 33 H 6.877728 5.394055 4.526647 3.164876 2.853361 34 H 6.829860 5.380435 4.520012 3.167714 2.847963 21 22 23 24 25 21 C 0.000000 22 H 3.825424 0.000000 23 O 3.619285 2.624737 0.000000 24 O 2.258415 4.607054 2.922305 0.000000 25 H 1.072906 4.898287 4.479203 2.408774 0.000000 26 H 3.391385 2.430008 4.506900 5.214255 4.284374 27 C 4.789444 2.445773 1.405378 4.327548 5.737261 28 C 3.624560 5.186464 2.890366 1.407182 3.805561 29 H 5.582468 3.516385 1.974467 4.725967 6.453179 30 H 5.007291 2.254035 2.051609 4.815394 5.993571 31 H 5.006057 2.258104 2.051765 4.805574 5.989354 32 H 4.193010 6.222151 3.968054 1.968221 4.105115 33 H 4.075416 5.114288 2.706157 2.069967 4.375631 34 H 4.059881 5.110167 2.732479 2.068880 4.355157 26 27 28 29 30 26 H 0.000000 27 C 4.786552 0.000000 28 C 6.278741 4.189621 0.000000 29 H 5.857492 1.074459 4.258762 0.000000 30 H 4.571356 1.080506 4.809570 1.767515 0.000000 31 H 4.580706 1.080317 4.786711 1.767250 1.774415 32 H 7.142449 5.254360 1.077938 5.257792 5.866979 33 H 6.425290 3.866828 1.076990 3.822433 4.341812 34 H 6.410754 3.888221 1.077714 3.856905 4.701856 31 32 33 34 31 H 0.000000 32 H 5.845570 0.000000 33 H 4.660830 1.757809 0.000000 34 H 4.327135 1.758131 1.763263 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.678331 2.052277 -0.719452 2 1 0 4.071502 3.002141 -0.392935 3 1 0 2.956397 2.200338 -1.506010 4 1 0 4.481849 1.422395 -1.074544 5 8 0 3.069387 1.481430 0.429895 6 15 0 2.345077 0.090925 0.663238 7 16 0 1.183819 -0.485296 -1.057881 8 8 0 1.560137 0.090298 1.880543 9 8 0 3.489035 -0.984593 0.521327 10 6 0 4.358893 -1.232267 1.616665 11 1 0 3.800983 -1.584397 2.470613 12 1 0 5.046205 -1.993297 1.284604 13 1 0 4.905085 -0.337736 1.884200 14 8 0 1.614582 0.329117 -2.160340 15 6 0 -0.435978 -0.094014 -0.630445 16 8 0 1.331974 -1.906244 -1.136158 17 6 0 -0.786251 1.234171 -0.422777 18 6 0 -2.080968 1.556358 -0.062299 19 6 0 -3.064962 0.579472 0.099571 20 6 0 -2.710945 -0.770553 -0.103698 21 6 0 -1.421153 -1.084626 -0.459470 22 1 0 -2.333886 2.588859 0.093964 23 8 0 -4.313054 0.899058 0.435589 24 8 0 -3.486761 -1.870727 0.005016 25 1 0 -1.169652 -2.117409 -0.605186 26 1 0 -0.058655 2.019929 -0.542104 27 6 0 -4.688984 2.235914 0.651415 28 6 0 -4.843528 -1.941490 0.371536 29 1 0 -5.731799 2.189174 0.906000 30 1 0 -4.549978 2.819027 -0.247556 31 1 0 -4.124400 2.662142 1.467909 32 1 0 -5.066836 -2.995563 0.339685 33 1 0 -5.480381 -1.421238 -0.323924 34 1 0 -5.012824 -1.571666 1.369552 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6382009 0.1719314 0.1599638 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1928.1762483814 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.85D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999890 -0.014709 -0.000774 -0.001949 Ang= -1.70 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.59697628 A.U. after 14 cycles NFock= 14 Conv=0.64D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.002777857 -0.000320164 0.004656648 2 1 -0.000336625 -0.000945217 0.000681407 3 1 0.000484221 -0.001638820 -0.000662221 4 1 0.000678248 -0.000201094 0.000054143 5 8 0.016174592 0.008977607 -0.006645426 6 15 -0.014639448 -0.010074478 0.001206503 7 16 -0.004856187 -0.016716104 0.016556336 8 8 0.001375515 -0.000599212 0.001884270 9 8 -0.001664510 0.007596827 -0.004348141 10 6 0.000277891 -0.007462532 0.001399463 11 1 0.000939583 0.001017573 -0.000333256 12 1 -0.000116460 -0.000327774 -0.000030891 13 1 -0.000430531 0.001156481 0.000551132 14 8 -0.004971566 0.005451841 -0.000670461 15 6 0.017053479 0.021651537 -0.031536881 16 8 0.007801054 0.002378040 -0.001019979 17 6 -0.000087461 -0.001413537 0.005153616 18 6 0.001601491 -0.000884426 0.001460570 19 6 -0.011261388 -0.006567614 0.010826110 20 6 0.004562273 0.004181981 -0.006461555 21 6 -0.023312983 -0.009873168 0.015254767 22 1 0.001051594 -0.002157029 0.002422499 23 8 0.014267961 0.000859687 -0.004105692 24 8 0.002165009 0.002150494 -0.001589388 25 1 0.000138211 0.000445101 -0.001203165 26 1 0.002239773 0.000728647 -0.000802639 27 6 0.004376804 -0.004236288 0.004521493 28 6 -0.004112447 -0.001765646 0.002230982 29 1 -0.000670394 0.002609954 -0.003201967 30 1 -0.001678908 0.002290602 -0.000697513 31 1 -0.001993856 0.000330796 -0.002103415 32 1 0.001933412 0.000451993 -0.001061985 33 1 -0.001861611 0.003492768 0.000255639 34 1 -0.002348877 -0.000588824 -0.002641000 ------------------------------------------------------------------- Cartesian Forces: Max 0.031536881 RMS 0.007013516 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.024273820 RMS 0.004978339 Search for a local minimum. Step number 4 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 3 4 DE= -3.32D-02 DEPred=-3.74D-02 R= 8.87D-01 TightC=F SS= 1.41D+00 RLast= 5.05D-01 DXNew= 8.4853D-01 1.5139D+00 Trust test= 8.87D-01 RLast= 5.05D-01 DXMaxT set to 8.49D-01 ITU= 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00836 0.01053 0.01132 0.01591 0.01765 Eigenvalues --- 0.01787 0.01787 0.02394 0.02407 0.02547 Eigenvalues --- 0.02676 0.02719 0.02757 0.02832 0.02860 Eigenvalues --- 0.02861 0.03713 0.05054 0.05219 0.08626 Eigenvalues --- 0.09734 0.09972 0.10162 0.10335 0.10354 Eigenvalues --- 0.10614 0.10697 0.10705 0.10788 0.10813 Eigenvalues --- 0.10889 0.12900 0.14123 0.15890 0.15999 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16054 0.16310 0.18844 0.19652 Eigenvalues --- 0.21178 0.22362 0.23647 0.24358 0.24475 Eigenvalues --- 0.24938 0.24996 0.25000 0.25000 0.25000 Eigenvalues --- 0.25898 0.32998 0.33445 0.33466 0.33532 Eigenvalues --- 0.33594 0.33697 0.34023 0.34286 0.34799 Eigenvalues --- 0.34830 0.34834 0.34851 0.34872 0.35892 Eigenvalues --- 0.36117 0.37647 0.38470 0.38764 0.39216 Eigenvalues --- 0.39545 0.40035 0.42304 0.43903 0.45003 Eigenvalues --- 0.46750 0.47874 0.49386 0.52670 0.54670 Eigenvalues --- 0.60576 0.65333 0.72381 0.79358 0.87512 Eigenvalues --- 1.29123 RFO step: Lambda=-1.46486539D-02 EMin= 8.36339468D-03 Quartic linear search produced a step of 0.08316. Iteration 1 RMS(Cart)= 0.12123807 RMS(Int)= 0.00345843 Iteration 2 RMS(Cart)= 0.00613330 RMS(Int)= 0.00041903 Iteration 3 RMS(Cart)= 0.00001447 RMS(Int)= 0.00041895 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00041895 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03831 0.00011 -0.00060 -0.00079 -0.00139 2.03692 R2 2.03686 -0.00151 0.00182 -0.00222 -0.00040 2.03647 R3 2.04273 0.00021 -0.00014 0.00021 0.00007 2.04280 R4 2.68426 0.00328 -0.00160 0.00559 0.00400 2.68826 R5 2.99543 -0.01283 -0.00688 -0.04185 -0.04873 2.94670 R6 4.07182 0.00270 0.00516 0.01938 0.02454 4.09637 R7 2.73715 -0.00133 -0.00068 -0.00321 -0.00389 2.73326 R8 2.97925 -0.00345 -0.00341 -0.01476 -0.01817 2.96108 R9 2.71506 0.00553 -0.00288 0.00168 -0.00121 2.71385 R10 3.25096 0.01735 0.00740 0.03629 0.04369 3.29465 R11 2.70381 0.00442 -0.00347 -0.00105 -0.00452 2.69929 R12 2.68432 0.00479 0.00120 0.01306 0.01426 2.69857 R13 2.03923 0.00044 -0.00031 0.00059 0.00028 2.03951 R14 2.03690 0.00013 -0.00035 -0.00045 -0.00080 2.03610 R15 2.04413 0.00022 -0.00035 -0.00006 -0.00041 2.04371 R16 2.62522 -0.00600 -0.00281 -0.01670 -0.01947 2.60575 R17 2.65983 -0.01897 -0.00308 -0.03894 -0.04200 2.61783 R18 2.61168 -0.00331 -0.00013 -0.00425 -0.00435 2.60733 R19 2.03622 -0.00238 0.00041 -0.00482 -0.00442 2.03180 R20 2.63801 -0.00297 -0.00430 -0.01208 -0.01640 2.62161 R21 2.03042 -0.00310 0.00090 -0.00640 -0.00550 2.02492 R22 2.66526 -0.01088 -0.00382 -0.03744 -0.04130 2.62395 R23 2.51609 0.00975 0.00356 0.01771 0.02127 2.53735 R24 2.59710 0.00543 0.00028 0.01131 0.01156 2.60866 R25 2.55225 -0.00408 -0.00276 -0.01738 -0.02014 2.53211 R26 2.02750 -0.00077 0.00108 -0.00016 0.00092 2.02842 R27 2.65578 0.00132 -0.00325 -0.00244 -0.00568 2.65010 R28 2.65919 -0.00206 -0.00071 -0.00732 -0.00803 2.65116 R29 2.03043 0.00302 -0.00034 0.00803 0.00769 2.03813 R30 2.04186 0.00197 0.00007 0.00555 0.00562 2.04748 R31 2.04150 0.00203 0.00002 0.00567 0.00569 2.04720 R32 2.03701 0.00143 -0.00023 0.00342 0.00319 2.04020 R33 2.03522 0.00357 -0.00061 0.00939 0.00877 2.04399 R34 2.03658 0.00318 -0.00061 0.00823 0.00763 2.04421 A1 1.92205 0.00113 0.00199 0.01169 0.01367 1.93572 A2 1.91945 -0.00015 0.00143 0.00066 0.00207 1.92152 A3 1.83924 0.00106 -0.00096 0.00539 0.00442 1.84365 A4 1.91580 0.00024 0.00119 0.00089 0.00197 1.91777 A5 1.93749 -0.00128 -0.00295 -0.01076 -0.01378 1.92371 A6 1.92868 -0.00098 -0.00064 -0.00759 -0.00829 1.92038 A7 2.30170 -0.00437 -0.00438 -0.02007 -0.02445 2.27725 A8 1.94257 -0.00920 -0.01252 -0.06554 -0.07855 1.86402 A9 1.95167 0.00397 0.00668 0.02717 0.03042 1.98209 A10 1.82723 0.00254 0.00605 0.02472 0.03011 1.85734 A11 1.95965 0.00063 -0.00560 -0.01135 -0.01730 1.94235 A12 1.70795 0.00213 -0.00025 0.00844 0.00928 1.71723 A13 2.05848 -0.00107 0.00623 0.01014 0.01534 2.07381 A14 1.87522 -0.00064 -0.00376 -0.00528 -0.00983 1.86540 A15 1.82157 0.00111 -0.00265 -0.00321 -0.00600 1.81557 A16 1.82707 0.00496 0.00245 0.03656 0.03864 1.86571 A17 1.92199 -0.00304 -0.00264 -0.02991 -0.03304 1.88896 A18 2.08279 0.00257 0.01128 0.03607 0.04638 2.12918 A19 1.91449 -0.00444 -0.00561 -0.03389 -0.03940 1.87509 A20 2.08734 0.00597 0.00101 0.02565 0.02667 2.11401 A21 1.92890 -0.00174 -0.00044 -0.01103 -0.01150 1.91740 A22 1.85046 0.00109 -0.00145 0.00465 0.00319 1.85364 A23 1.93450 -0.00169 -0.00023 -0.01059 -0.01086 1.92364 A24 1.92097 0.00053 0.00075 0.00492 0.00566 1.92663 A25 1.91260 0.00143 0.00074 0.00866 0.00935 1.92194 A26 1.91569 0.00035 0.00060 0.00330 0.00389 1.91958 A27 2.08518 0.00236 0.00213 0.01384 0.01592 2.10111 A28 2.12838 -0.01011 -0.00311 -0.04175 -0.04491 2.08347 A29 2.06945 0.00776 0.00099 0.02811 0.02913 2.09859 A30 2.09218 -0.00275 -0.00184 -0.01508 -0.01685 2.07533 A31 2.10643 0.00202 0.00222 0.01321 0.01540 2.12183 A32 2.08457 0.00073 -0.00039 0.00186 0.00144 2.08601 A33 2.12639 -0.00286 0.00050 -0.00863 -0.00812 2.11827 A34 2.07427 0.00000 0.00131 -0.00197 -0.00067 2.07360 A35 2.08252 0.00286 -0.00181 0.01060 0.00879 2.09130 A36 2.06712 0.00254 0.00190 0.01536 0.01719 2.08431 A37 2.12004 0.01480 -0.00581 0.04993 0.04415 2.16418 A38 2.09603 -0.01734 0.00391 -0.06528 -0.06134 2.03469 A39 2.08475 -0.00059 -0.00217 -0.00203 -0.00427 2.08048 A40 2.24456 -0.01789 0.00463 -0.06705 -0.06238 2.18219 A41 1.95387 0.01848 -0.00247 0.06908 0.06665 2.02052 A42 2.12644 -0.00411 0.00062 -0.01769 -0.01709 2.10935 A43 2.09083 0.00303 0.00050 0.01609 0.01659 2.10742 A44 2.06591 0.00107 -0.00112 0.00161 0.00050 2.06641 A45 2.11510 0.00195 -0.00816 -0.00300 -0.01116 2.10395 A46 2.23417 -0.02427 0.00769 -0.08581 -0.07812 2.15605 A47 1.82825 0.00333 -0.00203 0.01664 0.01449 1.84275 A48 1.92962 0.00210 0.00136 0.01466 0.01588 1.94550 A49 1.93005 0.00202 0.00138 0.01426 0.01549 1.94554 A50 1.92354 -0.00268 -0.00007 -0.01651 -0.01669 1.90684 A51 1.92336 -0.00260 -0.00003 -0.01585 -0.01599 1.90736 A52 1.92694 -0.00196 -0.00064 -0.01201 -0.01282 1.91412 A53 1.81442 0.00400 -0.00242 0.02459 0.02218 1.83659 A54 1.95806 -0.00230 0.00135 -0.01424 -0.01301 1.94505 A55 1.95563 -0.00201 0.00130 -0.01248 -0.01131 1.94432 A56 1.90793 0.00048 -0.00046 0.00665 0.00620 1.91414 A57 1.90750 0.00043 -0.00041 0.00655 0.00613 1.91363 A58 1.91701 -0.00029 0.00046 -0.00836 -0.00814 1.90887 D1 -3.10621 0.00124 0.00012 0.02983 0.02995 -3.07626 D2 1.09647 -0.00007 -0.00007 0.01836 0.01837 1.11483 D3 -1.03343 0.00117 0.00093 0.02978 0.03063 -1.00280 D4 -0.65461 -0.00389 -0.00526 -0.08210 -0.08732 -0.74194 D5 -2.86201 -0.00060 0.00752 -0.03669 -0.02764 -2.88965 D6 1.17294 -0.00371 -0.00672 -0.08531 -0.09360 1.07933 D7 0.27227 -0.00143 -0.00196 -0.00371 -0.00655 0.26572 D8 -1.76836 0.00179 0.00444 0.03428 0.03783 -1.73053 D9 2.50317 0.00425 0.01076 0.05837 0.06866 2.57183 D10 2.47527 -0.00294 -0.00967 -0.02834 -0.03730 2.43798 D11 0.43465 0.00028 -0.00326 0.00965 0.00708 0.44172 D12 -1.57701 0.00275 0.00306 0.03374 0.03791 -1.53910 D13 -1.63337 -0.00264 -0.00499 -0.01657 -0.02177 -1.65514 D14 2.60919 0.00058 0.00142 0.02142 0.02260 2.63179 D15 0.59753 0.00304 0.00774 0.04551 0.05344 0.65097 D16 1.40524 0.00556 0.00958 0.05470 0.06480 1.47004 D17 -2.87888 -0.00284 -0.00212 -0.00567 -0.00798 -2.88686 D18 -0.77704 -0.00108 -0.00613 -0.00893 -0.01540 -0.79243 D19 1.12809 -0.00031 -0.00057 0.01217 0.01160 1.13968 D20 -1.99336 -0.00097 -0.00119 -0.00036 -0.00135 -1.99470 D21 -0.87990 0.00123 0.00676 0.03354 0.04016 -0.83975 D22 2.28184 0.00057 0.00614 0.02101 0.02721 2.30905 D23 3.07746 0.00403 -0.00169 0.03817 0.03632 3.11378 D24 -0.04398 0.00337 -0.00231 0.02565 0.02338 -0.02061 D25 1.06176 -0.00039 0.00020 -0.00562 -0.00538 1.05638 D26 -3.14016 -0.00005 -0.00001 -0.00294 -0.00295 3.14008 D27 -1.06221 0.00011 -0.00029 -0.00194 -0.00227 -1.06448 D28 -3.12709 -0.00025 -0.00043 -0.00673 -0.00747 -3.13456 D29 0.01717 -0.00015 0.00015 -0.00421 -0.00432 0.01284 D30 -0.00497 0.00018 0.00010 0.00456 0.00473 -0.00024 D31 3.13929 0.00028 0.00068 0.00708 0.00788 -3.13602 D32 3.12895 0.00057 0.00075 0.01232 0.01292 -3.14132 D33 -0.00930 0.00051 0.00047 0.01001 0.01036 0.00106 D34 0.00733 -0.00002 0.00012 0.00006 0.00014 0.00747 D35 -3.13092 -0.00009 -0.00015 -0.00226 -0.00242 -3.13334 D36 -0.00298 -0.00014 -0.00010 -0.00285 -0.00303 -0.00601 D37 -3.14138 -0.00016 0.00001 -0.00398 -0.00400 3.13780 D38 3.13598 -0.00024 -0.00068 -0.00533 -0.00609 3.12989 D39 -0.00242 -0.00025 -0.00057 -0.00645 -0.00707 -0.00948 D40 0.00862 -0.00010 -0.00010 -0.00348 -0.00356 0.00506 D41 -3.13114 -0.00013 -0.00015 -0.00554 -0.00572 -3.13686 D42 -3.13618 -0.00009 -0.00021 -0.00238 -0.00259 -3.13877 D43 0.00725 -0.00012 -0.00026 -0.00443 -0.00476 0.00249 D44 -0.00620 0.00025 0.00032 0.00798 0.00836 0.00216 D45 3.13315 0.00029 0.00032 0.00876 0.00909 -3.14095 D46 3.13358 0.00032 0.00036 0.01013 0.01048 -3.13913 D47 -0.01025 0.00035 0.00036 0.01091 0.01120 0.00095 D48 -0.00852 -0.00011 -0.00010 -0.00129 -0.00140 -0.00992 D49 3.13494 -0.00017 -0.00015 -0.00346 -0.00359 3.13135 D50 -0.00167 -0.00019 -0.00034 -0.00636 -0.00671 -0.00837 D51 3.13663 -0.00012 -0.00006 -0.00405 -0.00418 3.13245 D52 -3.14137 -0.00018 -0.00035 -0.00686 -0.00722 3.13459 D53 -0.00307 -0.00011 -0.00007 -0.00455 -0.00469 -0.00776 D54 -0.01971 -0.00005 -0.00018 -0.00196 -0.00212 -0.02183 D55 3.11978 -0.00004 -0.00018 -0.00129 -0.00148 3.11830 D56 -3.13897 0.00000 -0.00003 0.00077 0.00074 -3.13823 D57 1.07243 0.00020 0.00051 0.00335 0.00389 1.07632 D58 -1.06717 -0.00014 -0.00051 -0.00123 -0.00177 -1.06894 D59 -3.13513 0.00002 0.00034 0.00095 0.00127 -3.13385 D60 1.08855 -0.00179 0.00162 -0.01448 -0.01267 1.07588 D61 -1.07734 0.00190 -0.00092 0.01705 0.01595 -1.06139 Item Value Threshold Converged? Maximum Force 0.024274 0.000450 NO RMS Force 0.004978 0.000300 NO Maximum Displacement 0.537531 0.001800 NO RMS Displacement 0.122423 0.001200 NO Predicted change in Energy=-8.260621D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.873514 -0.071238 0.042185 2 1 0 -0.154545 0.006471 -0.272314 3 1 0 1.276944 0.899024 0.281285 4 1 0 0.950944 -0.723319 0.900880 5 8 0 1.570691 -0.635067 -1.062228 6 15 0 3.062890 -1.064630 -1.204769 7 16 0 4.253604 0.487170 -0.270394 8 8 0 3.472129 -1.287751 -2.573984 9 8 0 3.299494 -2.200003 -0.151095 10 6 0 2.974885 -3.559206 -0.445116 11 1 0 3.549621 -3.898160 -1.293406 12 1 0 3.232483 -4.126779 0.433760 13 1 0 1.917324 -3.654946 -0.650088 14 8 0 3.356973 1.279429 0.523826 15 6 0 4.802981 1.461195 -1.607960 16 8 0 5.400137 -0.151865 0.293016 17 6 0 3.900457 2.174132 -2.368581 18 6 0 4.367742 2.928372 -3.425200 19 6 0 5.720244 2.986691 -3.728404 20 6 0 6.623720 2.267219 -2.957609 21 6 0 6.155160 1.505910 -1.905710 22 1 0 3.664636 3.478965 -4.017387 23 8 0 6.232687 3.706558 -4.739376 24 8 0 7.949683 2.242835 -3.149041 25 1 0 6.863963 0.948200 -1.323706 26 1 0 2.847110 2.158881 -2.153535 27 6 0 5.394182 4.454748 -5.578283 28 6 0 8.595970 2.933621 -4.185065 29 1 0 6.047609 4.926190 -6.295224 30 1 0 4.859632 5.218319 -5.025887 31 1 0 4.687922 3.820771 -6.100655 32 1 0 9.644422 2.704178 -4.068039 33 1 0 8.445497 4.001537 -4.102338 34 1 0 8.256296 2.597547 -5.155560 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077893 0.000000 3 H 1.077651 1.775467 0.000000 4 H 1.081001 1.769487 1.766966 0.000000 5 O 1.422564 2.002992 2.060279 2.060502 0.000000 6 P 2.708337 3.516904 3.042022 3.001761 1.559327 7 S 3.440135 4.434281 3.055238 3.707388 3.014040 8 O 3.882917 4.486141 4.213476 4.330085 2.515326 9 O 3.233323 4.100439 3.725805 2.966973 2.503587 10 C 4.101115 4.747340 4.825606 3.735009 3.301996 11 H 4.857025 5.478103 5.536939 4.652701 3.823269 12 H 4.708023 5.390199 5.395005 4.123974 4.146274 13 H 3.796281 4.223899 4.692141 3.454537 3.067521 14 O 2.867725 3.819033 2.128393 3.153116 3.061317 15 C 4.529022 5.336406 4.039582 5.089653 3.890993 16 O 4.534285 5.585621 4.255024 4.526740 4.090822 17 C 4.473909 5.053329 3.940877 5.271074 3.876334 18 C 5.764551 6.239333 5.235391 6.612437 5.109327 19 C 6.859961 7.439047 6.338681 7.611877 6.119184 20 C 6.894347 7.633261 6.399251 7.484093 6.127710 21 C 5.846151 6.687950 5.380358 6.319040 5.129580 22 H 6.072431 6.377298 5.552995 7.015174 5.481133 23 O 8.115159 8.627979 7.592673 8.906913 7.355632 24 O 8.100064 8.885685 7.622232 8.612913 7.302646 25 H 6.228193 7.159031 5.813192 6.535025 5.531169 26 H 3.699959 4.145093 3.159274 4.607817 3.259807 27 C 8.515319 8.872928 7.995584 9.409267 7.805130 28 C 9.302427 10.022442 8.812265 9.883646 8.475977 29 H 9.586882 9.947150 9.067954 10.472672 8.851814 30 H 8.339898 8.654582 7.723862 9.257833 7.796785 31 H 8.211694 8.483391 7.803879 9.145231 7.413323 32 H 10.075997 10.849189 9.601557 10.583688 9.239620 33 H 9.544606 10.226943 8.957114 10.174713 8.831949 34 H 9.415118 10.064890 9.008642 10.053695 8.479532 6 7 8 9 10 6 P 0.000000 7 S 2.167704 0.000000 8 O 1.446378 3.011242 0.000000 9 O 1.566934 2.854025 2.594687 0.000000 10 C 2.609162 4.247212 3.152593 1.428024 0.000000 11 H 2.876397 4.557770 2.908630 2.061838 1.079263 12 H 3.477111 4.777766 4.142951 2.014699 1.077459 13 H 2.886128 4.770692 3.423801 2.067909 1.081487 14 O 2.927309 1.436108 4.024935 3.544752 4.949467 15 C 3.093585 1.743451 3.203291 4.217499 5.467958 16 O 2.922195 1.428404 3.636914 2.967289 4.246959 17 C 3.541971 2.715316 3.494322 4.940795 6.117808 18 C 4.751528 3.990651 4.393448 6.177471 7.273900 19 C 5.462917 4.511815 4.965638 6.749738 7.820853 20 C 5.182005 4.000894 4.766289 6.235630 7.319416 21 C 4.081804 2.707029 3.930622 4.996729 6.156532 22 H 5.377469 4.830908 4.984180 6.879842 7.922924 23 O 6.730920 5.852609 6.103500 8.033891 9.046838 24 O 6.212911 5.002996 5.730988 7.095826 8.107004 25 H 4.302765 2.852366 4.250554 4.898126 6.017770 26 H 3.367156 2.884279 3.527987 4.818121 5.969216 27 C 7.417957 6.724305 6.759911 8.838993 9.819668 28 C 7.448701 6.337659 6.831494 8.407121 9.366997 29 H 8.408995 7.695579 7.687248 9.802300 10.754876 30 H 7.569985 6.735411 7.089847 9.012721 10.078724 31 H 7.104756 6.730042 6.325547 8.577570 9.454294 32 H 8.106713 6.956879 7.500993 8.924773 9.840645 33 H 7.939421 6.678813 7.419354 8.975120 10.023358 34 H 7.482764 6.658835 6.681941 8.522385 9.380150 11 12 13 14 15 11 H 0.000000 12 H 1.770860 0.000000 13 H 1.771272 1.768331 0.000000 14 O 5.490617 5.408391 5.272449 0.000000 15 C 5.512943 6.153092 5.951423 2.582342 0.000000 16 O 4.469437 4.529732 5.029017 2.505274 2.563644 17 C 6.176716 6.928260 6.392511 3.076018 1.378903 18 C 7.198292 8.121302 7.552872 4.397212 2.375795 19 C 7.618530 8.608950 8.249217 5.155701 2.768536 20 C 7.087423 7.992815 7.908658 4.875219 2.405477 21 C 6.030566 6.763309 6.794872 3.712653 1.385295 22 H 7.864813 8.823084 8.079882 5.055218 3.342539 23 O 8.769566 9.855137 9.462366 6.470084 4.109925 24 O 7.779187 8.698300 8.798747 5.959119 3.589935 25 H 5.871370 6.483190 6.790578 3.977696 2.142805 26 H 6.158010 6.808240 6.076631 2.863854 2.147056 27 C 9.567323 10.698608 10.106572 7.174163 5.007429 28 C 8.972211 9.997489 10.025448 7.235820 4.816251 29 H 10.446401 11.625851 11.070805 8.187664 5.960347 30 H 9.937693 10.944689 10.321804 6.969373 5.079510 31 H 9.164457 10.391363 9.657704 7.218974 5.075938 32 H 9.404045 10.394284 10.574919 7.914996 5.571046 33 H 9.709012 10.668703 10.637519 7.396239 5.093445 34 H 8.902991 10.084432 9.978754 7.615526 5.079582 16 17 18 19 20 16 O 0.000000 17 C 3.839714 0.000000 18 C 4.937493 1.379738 0.000000 19 C 5.111245 2.412674 1.387298 0.000000 20 C 4.232693 2.787792 2.396915 1.388537 0.000000 21 C 2.855289 2.396759 2.743558 2.388321 1.380446 22 H 5.896988 2.115836 1.071539 2.133394 3.368626 23 O 6.395744 3.661734 2.410530 1.342710 2.323639 24 O 4.907395 4.124327 3.657394 2.420616 1.339932 25 H 2.442687 3.372987 3.816868 3.353523 2.113568 26 H 4.224111 1.075183 2.126398 3.379405 3.862779 27 C 7.462779 4.211248 2.831814 2.384022 3.628358 28 C 6.307677 5.091589 4.295967 2.912242 2.416714 29 H 8.343307 5.253819 3.879468 3.233789 4.306009 30 H 7.577715 4.153115 2.836902 2.721081 4.012328 31 H 7.560960 4.154503 2.838477 2.718263 4.004944 32 H 6.722331 6.013505 5.320419 3.948967 3.247865 33 H 6.770827 5.196413 4.270631 2.932021 2.763536 34 H 6.738241 5.188436 4.269010 2.935944 2.757791 21 22 23 24 25 21 C 0.000000 22 H 3.815080 0.000000 23 O 3.588666 2.677304 0.000000 24 O 2.304180 4.543531 2.760385 0.000000 25 H 1.073393 4.888393 4.435522 2.487311 0.000000 26 H 3.380974 2.425884 4.532550 5.199456 4.276620 27 C 4.771009 2.525843 1.402371 4.162255 5.705924 28 C 3.631993 4.964229 2.547508 1.402932 3.889618 29 H 5.565763 3.600217 1.985553 4.551566 6.419256 30 H 5.019549 2.338898 2.062230 4.682358 5.996450 31 H 5.010881 2.346050 2.062140 4.673435 5.983817 32 H 4.276267 6.029984 3.618756 1.982305 4.283197 33 H 4.037198 4.810087 2.321500 2.060980 4.420963 34 H 4.020941 4.812035 2.344804 2.060571 4.397960 26 27 28 29 30 26 H 0.000000 27 C 4.846389 0.000000 28 C 6.146278 3.808717 0.000000 29 H 5.920708 1.078531 3.862285 0.000000 30 H 4.654118 1.083478 4.459489 1.762908 0.000000 31 H 4.661568 1.083330 4.441774 1.763110 1.771370 32 H 7.082805 4.838375 1.079626 4.778573 5.489316 33 H 6.207669 3.419699 1.081633 3.378403 3.897683 34 H 6.201925 3.437962 1.081751 3.405835 4.292154 31 32 33 34 31 H 0.000000 32 H 5.472221 0.000000 33 H 4.259732 1.766844 0.000000 34 H 3.888801 1.766626 1.765293 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.602465 2.010770 -0.756200 2 1 0 3.953815 2.993476 -0.486580 3 1 0 2.881354 2.065945 -1.555128 4 1 0 4.434148 1.387760 -1.054065 5 8 0 2.995876 1.484940 0.418211 6 15 0 2.372818 0.082467 0.694562 7 16 0 1.210362 -0.443063 -1.057994 8 8 0 1.565701 0.034425 1.893838 9 8 0 3.531018 -0.958611 0.521317 10 6 0 4.429991 -1.247723 1.592537 11 1 0 3.881791 -1.639605 2.435575 12 1 0 5.118417 -1.986282 1.216348 13 1 0 4.967310 -0.354549 1.880884 14 8 0 1.615826 0.446972 -2.109584 15 6 0 -0.428350 -0.049253 -0.611721 16 8 0 1.286808 -1.862676 -1.196529 17 6 0 -0.791558 1.259890 -0.375931 18 6 0 -2.094677 1.536100 -0.016394 19 6 0 -3.039800 0.527711 0.103983 20 6 0 -2.667525 -0.788278 -0.136054 21 6 0 -1.361648 -1.065407 -0.487502 22 1 0 -2.374334 2.553589 0.169894 23 8 0 -4.321565 0.736828 0.444894 24 8 0 -3.485566 -1.846294 -0.053418 25 1 0 -1.085944 -2.088047 -0.661764 26 1 0 -0.086076 2.065668 -0.470983 27 6 0 -4.784276 2.032223 0.717833 28 6 0 -4.835795 -1.754928 0.316383 29 1 0 -5.828297 1.920950 0.964542 30 1 0 -4.688340 2.677982 -0.146872 31 1 0 -4.262394 2.470482 1.559956 32 1 0 -5.205222 -2.769134 0.293979 33 1 0 -5.396608 -1.147639 -0.381197 34 1 0 -4.945448 -1.349916 1.313442 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6680202 0.1711958 0.1612265 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1938.3981690983 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.62D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999914 -0.012622 -0.000609 -0.003528 Ang= -1.50 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.59953779 A.U. after 13 cycles NFock= 13 Conv=0.93D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.005805309 0.000934715 0.006249487 2 1 -0.000665941 -0.001373477 0.000169031 3 1 -0.003699031 -0.003710329 -0.000967831 4 1 0.000001916 -0.000107679 0.000207042 5 8 0.000207343 0.006304667 -0.007317338 6 15 0.006965200 0.005112926 0.002778253 7 16 -0.002362455 -0.006901688 -0.010631582 8 8 -0.000946492 -0.004929605 0.000252063 9 8 -0.002039326 -0.000600339 -0.000268339 10 6 0.000977898 -0.002069487 0.000223697 11 1 0.000129575 0.000148351 -0.000018576 12 1 0.000112298 0.000181229 0.000025641 13 1 -0.000081056 0.000143348 0.000223524 14 8 0.000321988 0.003682210 0.008505774 15 6 0.005009376 0.004516559 -0.009002859 16 8 0.004961335 -0.003050754 0.009380158 17 6 -0.003181885 0.003004152 0.000032620 18 6 -0.003522617 0.002472699 -0.002270943 19 6 -0.006896391 0.001807178 -0.001375552 20 6 0.002525510 -0.002873328 0.003315819 21 6 0.001539923 -0.003857636 0.003014005 22 1 -0.000356846 0.000175878 -0.000180993 23 8 -0.011454156 0.005282461 -0.004557257 24 8 0.004616487 -0.003212393 0.004225507 25 1 -0.000990506 0.000393370 -0.000780758 26 1 0.001197936 -0.000365291 0.000230361 27 6 0.000551297 -0.000325203 0.000228046 28 6 0.007118393 0.001543272 -0.003380620 29 1 -0.000258351 0.000667030 -0.000835192 30 1 -0.000216192 0.000195769 0.000481209 31 1 -0.000324003 -0.000509034 -0.000005580 32 1 0.000685247 -0.000778967 0.000800280 33 1 0.002924148 -0.002226980 -0.000229318 34 1 0.002954686 0.000326376 0.001480218 ------------------------------------------------------------------- Cartesian Forces: Max 0.011454156 RMS 0.003555889 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.039258558 RMS 0.006578079 Search for a local minimum. Step number 5 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 4 5 DE= -2.56D-03 DEPred=-8.26D-03 R= 3.10D-01 Trust test= 3.10D-01 RLast= 3.13D-01 DXMaxT set to 8.49D-01 ITU= 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00836 0.01053 0.01132 0.01626 0.01762 Eigenvalues --- 0.01778 0.01787 0.02375 0.02397 0.02547 Eigenvalues --- 0.02615 0.02675 0.02716 0.02758 0.02860 Eigenvalues --- 0.02861 0.03677 0.05053 0.05150 0.09455 Eigenvalues --- 0.09788 0.10006 0.10299 0.10455 0.10465 Eigenvalues --- 0.10475 0.10607 0.10656 0.10839 0.10883 Eigenvalues --- 0.10891 0.13271 0.14684 0.15757 0.15998 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16013 0.16094 0.16310 0.19062 0.20086 Eigenvalues --- 0.21375 0.22336 0.23336 0.23800 0.24800 Eigenvalues --- 0.24916 0.25000 0.25000 0.25000 0.25201 Eigenvalues --- 0.28429 0.32986 0.33451 0.33475 0.33511 Eigenvalues --- 0.33612 0.33693 0.33951 0.34792 0.34826 Eigenvalues --- 0.34830 0.34845 0.34859 0.34949 0.35666 Eigenvalues --- 0.36635 0.38111 0.38603 0.39083 0.39219 Eigenvalues --- 0.39985 0.41615 0.43856 0.44620 0.46646 Eigenvalues --- 0.47221 0.49125 0.52365 0.53476 0.60331 Eigenvalues --- 0.65269 0.72254 0.72772 0.78370 0.87521 Eigenvalues --- 1.29243 RFO step: Lambda=-7.75546150D-03 EMin= 8.36336188D-03 Quartic linear search produced a step of -0.38543. Iteration 1 RMS(Cart)= 0.09834136 RMS(Int)= 0.00251375 Iteration 2 RMS(Cart)= 0.00591060 RMS(Int)= 0.00011103 Iteration 3 RMS(Cart)= 0.00002040 RMS(Int)= 0.00011078 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00011078 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03692 0.00049 0.00054 0.00021 0.00075 2.03767 R2 2.03647 -0.00494 0.00015 -0.01055 -0.01040 2.02607 R3 2.04280 0.00023 -0.00003 0.00051 0.00048 2.04328 R4 2.68826 0.00769 -0.00154 0.01468 0.01314 2.70140 R5 2.94670 0.00994 0.01878 -0.01936 -0.00058 2.94612 R6 4.09637 0.00196 -0.00946 0.01980 0.01034 4.10671 R7 2.73326 0.00025 0.00150 -0.00244 -0.00094 2.73232 R8 2.96108 0.00158 0.00700 -0.00967 -0.00267 2.95841 R9 2.71385 0.00653 0.00047 0.00640 0.00687 2.72072 R10 3.29465 0.01085 -0.01684 0.03739 0.02055 3.31519 R11 2.69929 0.00905 0.00174 0.00629 0.00803 2.70732 R12 2.69857 0.00117 -0.00550 0.01196 0.00646 2.70504 R13 2.03951 0.00004 -0.00011 0.00053 0.00042 2.03994 R14 2.03610 -0.00005 0.00031 -0.00046 -0.00015 2.03595 R15 2.04371 0.00002 0.00016 -0.00001 0.00015 2.04387 R16 2.60575 0.00120 0.00750 -0.01180 -0.00430 2.60145 R17 2.61783 -0.00116 0.01619 -0.03090 -0.01470 2.60313 R18 2.60733 -0.00124 0.00168 -0.00402 -0.00237 2.60496 R19 2.03180 -0.00112 0.00170 -0.00539 -0.00369 2.02811 R20 2.62161 0.00320 0.00632 -0.00441 0.00190 2.62351 R21 2.02492 0.00042 0.00212 -0.00459 -0.00247 2.02245 R22 2.62395 0.02574 0.01592 0.01285 0.02878 2.65274 R23 2.53735 0.00191 -0.00820 0.01686 0.00866 2.54601 R24 2.60866 0.00384 -0.00446 0.01360 0.00917 2.61784 R25 2.53211 0.01777 0.00776 0.01269 0.02046 2.55256 R26 2.02842 -0.00128 -0.00035 -0.00220 -0.00255 2.02587 R27 2.65010 0.00024 0.00219 -0.00137 0.00082 2.65092 R28 2.65116 0.00673 0.00310 0.00393 0.00702 2.65818 R29 2.03813 0.00069 -0.00297 0.00772 0.00475 2.04288 R30 2.04748 0.00049 -0.00217 0.00529 0.00312 2.05060 R31 2.04720 0.00051 -0.00219 0.00543 0.00324 2.05043 R32 2.04020 0.00092 -0.00123 0.00432 0.00309 2.04329 R33 2.04399 -0.00262 -0.00338 0.00316 -0.00022 2.04377 R34 2.04421 -0.00236 -0.00294 0.00266 -0.00028 2.04394 A1 1.93572 -0.00048 -0.00527 0.00918 0.00391 1.93963 A2 1.92152 -0.00084 -0.00080 -0.00427 -0.00508 1.91644 A3 1.84365 -0.00110 -0.00170 0.00038 -0.00133 1.84232 A4 1.91777 0.00003 -0.00076 0.00198 0.00126 1.91903 A5 1.92371 0.00262 0.00531 0.00050 0.00583 1.92954 A6 1.92038 -0.00027 0.00320 -0.00802 -0.00481 1.91557 A7 2.27725 0.01703 0.00942 0.02510 0.03452 2.31177 A8 1.86402 0.01678 0.03028 0.00059 0.03096 1.89498 A9 1.98209 -0.00542 -0.01172 0.00511 -0.00574 1.97634 A10 1.85734 -0.00301 -0.01161 0.01203 0.00040 1.85774 A11 1.94235 -0.00304 0.00667 -0.01707 -0.01032 1.93203 A12 1.71723 -0.00201 -0.00358 0.00511 0.00113 1.71836 A13 2.07381 -0.00055 -0.00591 -0.00527 -0.01099 2.06283 A14 1.86540 0.00575 0.00379 0.01329 0.01725 1.88265 A15 1.81557 -0.00273 0.00231 -0.00638 -0.00401 1.81155 A16 1.86571 -0.00093 -0.01489 0.02891 0.01406 1.87977 A17 1.88896 -0.00043 0.01273 -0.02925 -0.01639 1.87257 A18 2.12918 -0.00569 -0.01788 0.00871 -0.00906 2.12012 A19 1.87509 0.00421 0.01519 -0.01642 -0.00129 1.87380 A20 2.11401 0.00343 -0.01028 0.02940 0.01912 2.13313 A21 1.91740 -0.00016 0.00443 -0.01048 -0.00604 1.91136 A22 1.85364 -0.00028 -0.00123 0.00334 0.00211 1.85576 A23 1.92364 -0.00016 0.00418 -0.01012 -0.00593 1.91770 A24 1.92663 0.00014 -0.00218 0.00486 0.00268 1.92931 A25 1.92194 0.00031 -0.00360 0.00872 0.00513 1.92707 A26 1.91958 0.00012 -0.00150 0.00330 0.00181 1.92138 A27 2.10111 -0.00238 -0.00614 0.00660 0.00043 2.10154 A28 2.08347 -0.00049 0.01731 -0.03399 -0.01671 2.06676 A29 2.09859 0.00287 -0.01123 0.02752 0.01627 2.11485 A30 2.07533 0.00064 0.00650 -0.01338 -0.00692 2.06841 A31 2.12183 -0.00093 -0.00594 0.00955 0.00363 2.12546 A32 2.08601 0.00029 -0.00055 0.00381 0.00328 2.08929 A33 2.11827 0.00160 0.00313 -0.00320 -0.00011 2.11816 A34 2.07360 -0.00090 0.00026 -0.00455 -0.00427 2.06934 A35 2.09130 -0.00069 -0.00339 0.00775 0.00438 2.09569 A36 2.08431 -0.00079 -0.00663 0.01276 0.00612 2.09043 A37 2.16418 -0.01817 -0.01702 -0.00018 -0.01719 2.14699 A38 2.03469 0.01896 0.02364 -0.01258 0.01107 2.04576 A39 2.08048 -0.00851 0.00165 -0.01920 -0.01752 2.06296 A40 2.18219 0.03250 0.02404 0.01718 0.04120 2.22339 A41 2.02052 -0.02398 -0.02569 0.00202 -0.02368 1.99684 A42 2.10935 0.00419 0.00659 -0.00456 0.00207 2.11142 A43 2.10742 -0.00225 -0.00640 0.00824 0.00182 2.10925 A44 2.06641 -0.00194 -0.00019 -0.00368 -0.00389 2.06252 A45 2.10395 -0.00276 0.00430 -0.00782 -0.00352 2.10043 A46 2.15605 0.03926 0.03011 0.01776 0.04787 2.20392 A47 1.84275 0.00157 -0.00559 0.02077 0.01519 1.85794 A48 1.94550 -0.00058 -0.00612 0.01051 0.00441 1.94991 A49 1.94554 -0.00063 -0.00597 0.00996 0.00402 1.94956 A50 1.90684 -0.00018 0.00643 -0.01513 -0.00870 1.89815 A51 1.90736 -0.00016 0.00616 -0.01446 -0.00829 1.89907 A52 1.91412 0.00003 0.00494 -0.01167 -0.00669 1.90744 A53 1.83659 -0.00328 -0.00855 0.00825 -0.00030 1.83629 A54 1.94505 0.00271 0.00502 -0.00214 0.00291 1.94796 A55 1.94432 0.00254 0.00436 -0.00115 0.00325 1.94757 A56 1.91414 -0.00142 -0.00239 -0.00145 -0.00384 1.91029 A57 1.91363 -0.00135 -0.00236 -0.00127 -0.00363 1.91000 A58 1.90887 0.00055 0.00314 -0.00195 0.00125 1.91012 D1 -3.07626 0.00251 -0.01154 0.09079 0.07924 -2.99702 D2 1.11483 0.00232 -0.00708 0.07934 0.07223 1.18706 D3 -1.00280 0.00075 -0.01181 0.08178 0.07002 -0.93279 D4 -0.74194 -0.00446 0.03366 -0.18346 -0.14983 -0.89177 D5 -2.88965 -0.00915 0.01065 -0.16555 -0.15532 -3.04497 D6 1.07933 -0.00147 0.03608 -0.17290 -0.13637 0.94296 D7 0.26572 0.00127 0.00252 0.01774 0.02051 0.28623 D8 -1.73053 0.00060 -0.01458 0.04797 0.03369 -1.69684 D9 2.57183 -0.00254 -0.02646 0.05749 0.03123 2.60306 D10 2.43798 0.00400 0.01437 0.01370 0.02783 2.46581 D11 0.44172 0.00333 -0.00273 0.04393 0.04102 0.48274 D12 -1.53910 0.00019 -0.01461 0.05345 0.03856 -1.50054 D13 -1.65514 0.00079 0.00839 0.00270 0.01108 -1.64406 D14 2.63179 0.00012 -0.00871 0.03293 0.02426 2.65605 D15 0.65097 -0.00302 -0.02060 0.04245 0.02180 0.67277 D16 1.47004 -0.00840 -0.02498 0.03388 0.00881 1.47885 D17 -2.88686 0.00811 0.00308 0.03961 0.04271 -2.84415 D18 -0.79243 0.00262 0.00593 0.01953 0.02553 -0.76691 D19 1.13968 0.00326 -0.00447 0.03884 0.03431 1.17399 D20 -1.99470 0.00281 0.00052 0.01745 0.01797 -1.97673 D21 -0.83975 -0.00180 -0.01548 0.03891 0.02343 -0.81631 D22 2.30905 -0.00225 -0.01049 0.01752 0.00710 2.31615 D23 3.11378 0.00270 -0.01400 0.06182 0.04778 -3.12163 D24 -0.02061 0.00225 -0.00901 0.04042 0.03145 0.01084 D25 1.05638 -0.00006 0.00207 -0.01075 -0.00868 1.04771 D26 3.14008 -0.00015 0.00114 -0.00866 -0.00752 3.13256 D27 -1.06448 -0.00025 0.00087 -0.00821 -0.00733 -1.07181 D28 -3.13456 -0.00033 0.00288 -0.01410 -0.01118 3.13744 D29 0.01284 -0.00031 0.00167 -0.01002 -0.00835 0.00449 D30 -0.00024 0.00012 -0.00182 0.00723 0.00547 0.00523 D31 -3.13602 0.00013 -0.00304 0.01130 0.00830 -3.12772 D32 -3.14132 0.00041 -0.00498 0.02205 0.01715 -3.12417 D33 0.00106 0.00040 -0.00399 0.01774 0.01381 0.01487 D34 0.00747 -0.00002 -0.00005 0.00077 0.00075 0.00823 D35 -3.13334 -0.00003 0.00093 -0.00354 -0.00259 -3.13592 D36 -0.00601 -0.00007 0.00117 -0.00412 -0.00296 -0.00897 D37 3.13780 -0.00004 0.00154 -0.00595 -0.00442 3.13338 D38 3.12989 -0.00010 0.00235 -0.00809 -0.00573 3.12416 D39 -0.00948 -0.00006 0.00272 -0.00992 -0.00719 -0.01667 D40 0.00506 -0.00004 0.00137 -0.00695 -0.00562 -0.00055 D41 -3.13686 0.00003 0.00221 -0.00952 -0.00729 3.13903 D42 -3.13877 -0.00008 0.00100 -0.00512 -0.00415 3.14027 D43 0.00249 -0.00001 0.00183 -0.00769 -0.00583 -0.00333 D44 0.00216 0.00009 -0.00322 0.01476 0.01151 0.01366 D45 -3.14095 0.00010 -0.00350 0.01669 0.01322 -3.12773 D46 -3.13913 0.00002 -0.00404 0.01713 0.01310 -3.12604 D47 0.00095 0.00004 -0.00432 0.01907 0.01481 0.01575 D48 -0.00992 -0.00012 0.00054 -0.00234 -0.00180 -0.01172 D49 3.13135 -0.00005 0.00138 -0.00483 -0.00344 3.12791 D50 -0.00837 -0.00004 0.00259 -0.01175 -0.00914 -0.01751 D51 3.13245 -0.00003 0.00161 -0.00753 -0.00588 3.12657 D52 3.13459 -0.00010 0.00278 -0.01352 -0.01069 3.12391 D53 -0.00776 -0.00009 0.00181 -0.00930 -0.00743 -0.01519 D54 -0.02183 -0.00028 0.00082 -0.01305 -0.01225 -0.03408 D55 3.11830 -0.00026 0.00057 -0.01119 -0.01059 3.10771 D56 -3.13823 0.00003 -0.00029 0.00278 0.00250 -3.13573 D57 1.07632 -0.00039 -0.00150 0.00289 0.00136 1.07768 D58 -1.06894 0.00044 0.00068 0.00320 0.00391 -1.06503 D59 -3.13385 0.00019 -0.00049 0.00831 0.00782 -3.12603 D60 1.07588 0.00242 0.00488 0.00624 0.01107 1.08695 D61 -1.06139 -0.00204 -0.00615 0.01111 0.00501 -1.05638 Item Value Threshold Converged? Maximum Force 0.039259 0.000450 NO RMS Force 0.006578 0.000300 NO Maximum Displacement 0.367154 0.001800 NO RMS Displacement 0.101222 0.001200 NO Predicted change in Energy=-5.745724D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.765558 -0.177979 0.013237 2 1 0 -0.243573 -0.144480 -0.365230 3 1 0 1.082654 0.787679 0.354493 4 1 0 0.830413 -0.894250 0.820617 5 8 0 1.572323 -0.612385 -1.084006 6 15 0 3.070707 -1.030226 -1.187903 7 16 0 4.286966 0.520982 -0.272935 8 8 0 3.499906 -1.281894 -2.545483 9 8 0 3.291975 -2.155044 -0.121747 10 6 0 3.003364 -3.530692 -0.392533 11 1 0 3.604644 -3.868573 -1.222950 12 1 0 3.255123 -4.074865 0.502588 13 1 0 1.951661 -3.648771 -0.615618 14 8 0 3.421935 1.342906 0.532680 15 6 0 4.814340 1.495669 -1.632905 16 8 0 5.450183 -0.106718 0.279709 17 6 0 3.905598 2.240045 -2.350675 18 6 0 4.363512 2.995654 -3.408781 19 6 0 5.709517 3.023449 -3.747719 20 6 0 6.631433 2.270621 -3.003487 21 6 0 6.154109 1.503916 -1.953068 22 1 0 3.656653 3.568701 -3.972135 23 8 0 6.192718 3.747341 -4.776162 24 8 0 7.967631 2.196261 -3.186771 25 1 0 6.856595 0.918218 -1.393831 26 1 0 2.861627 2.250652 -2.101997 27 6 0 5.327393 4.510784 -5.573803 28 6 0 8.706025 2.837933 -4.197558 29 1 0 5.943020 4.987821 -6.323534 30 1 0 4.822122 5.278616 -4.997047 31 1 0 4.588208 3.891063 -6.070662 32 1 0 9.731109 2.533964 -4.036509 33 1 0 8.633380 3.914330 -4.121602 34 1 0 8.388172 2.524271 -5.182674 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.078288 0.000000 3 H 1.072148 1.773641 0.000000 4 H 1.081256 1.766872 1.763458 0.000000 5 O 1.429518 2.008247 2.066214 2.063364 0.000000 6 P 2.735466 3.527860 3.104210 3.011903 1.559019 7 S 3.601494 4.580081 3.276036 3.891850 3.051499 8 O 3.904144 4.478934 4.305358 4.313594 2.509927 9 O 3.210886 4.074525 3.710461 2.921804 2.502587 10 C 4.051310 4.691459 4.784925 3.625504 3.323031 11 H 4.817577 5.423406 5.525345 4.551826 3.840884 12 H 4.650067 5.333096 5.327841 4.012066 4.163876 13 H 3.721384 4.142681 4.623677 3.302629 3.095630 14 O 3.104715 4.056416 2.410863 3.435661 3.139730 15 C 4.680120 5.466221 4.286780 5.253871 3.905874 16 O 4.692739 5.730291 4.458794 4.717527 4.141644 17 C 4.614625 5.181078 4.170889 5.416425 3.896790 18 C 5.892998 6.352076 5.459067 6.745514 5.119888 19 C 6.988323 7.544288 6.575308 7.747498 6.118090 20 C 7.035961 7.749762 6.653127 7.634921 6.131127 21 C 5.977592 6.794761 5.617605 6.464230 5.121207 22 H 6.187020 6.481453 5.751457 7.132744 5.492467 23 O 8.234109 8.719429 7.822786 9.034524 7.347603 24 O 8.230852 8.992443 7.869406 8.749303 7.294523 25 H 6.346827 7.252567 6.034241 6.671109 5.510196 26 H 3.842651 4.288972 3.367399 4.749517 3.300847 27 C 8.602898 8.935120 8.186819 9.503990 7.778540 28 C 9.480376 10.182182 9.112656 10.056666 8.514024 29 H 9.677100 10.005790 9.266089 10.572437 8.827115 30 H 8.445891 8.747854 7.924084 9.374605 7.783120 31 H 8.257335 8.496097 7.950001 9.192931 7.365008 32 H 10.204714 10.961142 9.855261 10.703584 9.229440 33 H 9.785015 10.458707 9.317984 10.413178 8.920575 34 H 9.612694 10.238995 9.329875 10.239410 8.549472 6 7 8 9 10 6 P 0.000000 7 S 2.173177 0.000000 8 O 1.445881 3.005712 0.000000 9 O 1.565523 2.859018 2.584593 0.000000 10 C 2.624782 4.251824 3.152593 1.431443 0.000000 11 H 2.888343 4.542717 2.907055 2.060726 1.079487 12 H 3.487348 4.773672 4.141418 2.019124 1.077380 13 H 2.904575 4.791443 3.423967 2.066778 1.081568 14 O 2.952207 1.439741 4.046078 3.561014 4.978271 15 C 3.101359 1.754326 3.205526 4.234254 5.484749 16 O 2.944258 1.432653 3.628544 3.002444 4.261740 17 C 3.569839 2.723532 3.550576 4.966031 6.160337 18 C 4.776124 3.995422 4.448429 6.203425 7.317169 19 C 5.472500 4.512219 4.986355 6.768233 7.844572 20 C 5.183696 4.001709 4.757793 6.248433 7.323606 21 C 4.063831 2.697263 3.893133 4.993349 6.140826 22 H 5.407902 4.834249 5.058476 6.907947 7.977576 23 O 6.741491 5.858356 6.125388 8.057049 9.075128 24 O 6.195607 4.984405 5.698191 7.084489 8.077729 25 H 4.262838 2.831465 4.175423 4.875413 5.970158 26 H 3.412249 2.892891 3.617038 4.849407 6.030447 27 C 7.418325 6.715669 6.787161 8.848791 9.844390 28 C 7.468432 6.348150 6.841491 8.417482 9.357240 29 H 8.416756 7.700969 7.716982 9.823988 10.788115 30 H 7.574861 6.725972 7.127321 9.020488 10.105114 31 H 7.096706 6.712811 6.353801 8.580515 9.478151 32 H 8.073348 6.917751 7.457333 8.875506 9.763256 33 H 7.999910 6.724460 7.472446 9.020352 10.051438 34 H 7.541092 6.703625 6.733262 8.572059 9.412980 11 12 13 14 15 11 H 0.000000 12 H 1.772626 0.000000 13 H 1.774688 1.769450 0.000000 14 O 5.502284 5.420422 5.328897 0.000000 15 C 5.514211 6.166226 5.974535 2.579125 0.000000 16 O 4.451466 4.540281 5.058400 2.505832 2.574885 17 C 6.219127 6.960051 6.442550 3.058189 1.376627 18 C 7.243711 8.155953 7.600472 4.376443 2.367897 19 C 7.635765 8.629903 8.273455 5.136056 2.758240 20 C 7.072585 7.997326 7.914631 4.864772 2.404344 21 C 5.991367 6.749605 6.782295 3.697248 1.377517 22 H 7.929298 8.866142 8.140338 5.030170 3.333121 23 O 8.793497 9.883399 9.486789 6.453088 4.104877 24 O 7.724924 8.668686 8.773091 5.935139 3.584490 25 H 5.789452 6.441885 6.746954 3.960895 2.135746 26 H 6.226532 6.852070 6.151468 2.842441 2.145491 27 C 9.597469 10.720550 10.127068 7.138302 4.988468 28 C 8.935860 9.979503 10.026418 7.247887 4.850188 29 H 10.484259 11.659889 11.095134 8.163880 5.955757 30 H 9.969810 10.963077 10.350590 6.930238 5.062429 31 H 9.202156 10.413489 9.672538 7.173383 5.048042 32 H 9.297428 10.306232 10.509449 7.880468 5.570456 33 H 9.708962 10.683446 10.683529 7.445382 5.160290 34 H 8.912351 10.110341 10.019637 7.663184 5.141124 16 17 18 19 20 16 O 0.000000 17 C 3.848631 0.000000 18 C 4.940701 1.378484 0.000000 19 C 5.107385 2.412380 1.388301 0.000000 20 C 4.222140 2.803083 2.415244 1.403767 0.000000 21 C 2.841645 2.399121 2.747840 2.393202 1.385299 22 H 5.899460 2.111026 1.070233 2.135863 3.387124 23 O 6.400544 3.658668 2.404321 1.347293 2.348520 24 O 4.863922 4.147419 3.698377 2.469409 1.350758 25 H 2.414379 3.372115 3.819846 3.359847 2.114399 26 H 4.234423 1.073232 2.125646 3.378771 3.876147 27 C 7.456541 4.191218 2.812829 2.385952 3.650394 28 C 6.270358 5.178084 4.416386 3.035760 2.459996 29 H 8.354642 5.242612 3.867733 3.247785 4.345090 30 H 7.565740 4.132337 2.818656 2.726548 4.036820 31 H 7.553308 4.126757 2.817420 2.721424 4.025936 32 H 6.627916 6.071656 5.423864 4.061551 3.277876 33 H 6.758188 5.318960 4.425365 3.079356 2.821304 34 H 6.737322 5.309847 4.423436 3.079524 2.810574 21 22 23 24 25 21 C 0.000000 22 H 3.818017 0.000000 23 O 3.606148 2.666459 0.000000 24 O 2.300049 4.591832 2.842943 0.000000 25 H 1.072042 4.890024 4.459241 2.466258 0.000000 26 H 3.379383 2.422134 4.526301 5.220246 4.270438 27 C 4.778539 2.498847 1.402806 4.245680 5.719891 28 C 3.650974 5.106956 2.734688 1.406648 3.868666 29 H 5.593132 3.573578 1.998875 4.661667 6.457419 30 H 5.028752 2.309236 2.066912 4.761537 6.011265 31 H 5.010499 2.318519 2.066601 4.754964 5.987999 32 H 4.265753 6.162292 3.813080 1.986442 4.225779 33 H 4.081595 4.990953 2.532422 2.066130 4.424295 34 H 4.057402 4.994348 2.545813 2.065932 4.390953 26 27 28 29 30 26 H 0.000000 27 C 4.820958 0.000000 28 C 6.236446 4.013432 0.000000 29 H 5.899869 1.081045 4.095851 0.000000 30 H 4.625302 1.085132 4.656267 1.760836 0.000000 31 H 4.628427 1.085042 4.644784 1.761345 1.769934 32 H 7.142295 5.065946 1.081263 5.059794 5.705602 33 H 6.337173 3.659808 1.081517 3.638533 4.141662 34 H 6.333098 3.669820 1.081605 3.653684 4.509720 31 32 33 34 31 H 0.000000 32 H 5.694640 0.000000 33 H 4.490299 1.765690 0.000000 34 H 4.134775 1.765579 1.765861 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.739250 2.052703 -0.624131 2 1 0 4.075897 3.013447 -0.268683 3 1 0 3.126000 2.156842 -1.497391 4 1 0 4.591277 1.424491 -0.844390 5 8 0 2.987646 1.487444 0.452482 6 15 0 2.369926 0.073621 0.676239 7 16 0 1.187978 -0.449767 -1.070691 8 8 0 1.572123 -0.016508 1.878720 9 8 0 3.534579 -0.954461 0.482605 10 6 0 4.432225 -1.299432 1.542915 11 1 0 3.874387 -1.723904 2.363849 12 1 0 5.117009 -2.024880 1.136044 13 1 0 4.972152 -0.420538 1.868203 14 8 0 1.568592 0.433225 -2.142284 15 6 0 -0.451404 -0.030962 -0.607347 16 8 0 1.239277 -1.873616 -1.220747 17 6 0 -0.806213 1.285015 -0.413910 18 6 0 -2.106335 1.570076 -0.055245 19 6 0 -3.050075 0.563851 0.100463 20 6 0 -2.683091 -0.774654 -0.109989 21 6 0 -1.369186 -1.046765 -0.454466 22 1 0 -2.381179 2.592270 0.102808 23 8 0 -4.328125 0.804240 0.452599 24 8 0 -3.473236 -1.866213 -0.016623 25 1 0 -1.085999 -2.070242 -0.601346 26 1 0 -0.102400 2.084963 -0.542593 27 6 0 -4.761645 2.116138 0.695187 28 6 0 -4.830624 -1.882002 0.352033 29 1 0 -5.806806 2.048615 0.963028 30 1 0 -4.667306 2.739997 -0.187656 31 1 0 -4.218867 2.572679 1.516332 32 1 0 -5.118290 -2.924079 0.330748 33 1 0 -5.439822 -1.325843 -0.347424 34 1 0 -4.976854 -1.488575 1.348878 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6511896 0.1709146 0.1596419 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1928.4768790137 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.68D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999993 -0.003129 -0.000551 0.001854 Ang= -0.42 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.60436619 A.U. after 13 cycles NFock= 13 Conv=0.88D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000068393 -0.007964611 0.002066512 2 1 0.000339874 0.000093634 -0.000022584 3 1 0.001580891 0.002652107 -0.000489802 4 1 0.000269900 0.000170081 0.000058321 5 8 -0.002521226 0.010499366 -0.003019504 6 15 0.007265667 0.000435907 0.002925108 7 16 -0.001657110 0.002571562 -0.008148704 8 8 -0.000596255 -0.002875876 -0.000794990 9 8 -0.002145501 -0.002112341 0.003421535 10 6 0.001300519 0.001523988 -0.001012225 11 1 -0.000500404 -0.000266714 0.000184014 12 1 0.000258389 0.000575493 0.000110433 13 1 0.000269978 -0.000479853 -0.000074561 14 8 -0.004687631 -0.003230862 0.005778787 15 6 -0.000806114 -0.003065059 -0.000326055 16 8 -0.001471186 -0.003641028 0.005357275 17 6 -0.001939868 0.003478988 -0.000983873 18 6 -0.001817014 0.000427787 -0.000356425 19 6 0.005510904 -0.000590728 -0.001011771 20 6 -0.001002942 0.000631582 -0.000774313 21 6 0.007942995 0.000623661 -0.004011060 22 1 -0.000080782 0.000857133 -0.000903386 23 8 -0.001646838 0.002298176 -0.001781879 24 8 -0.001965643 -0.001566660 0.002756552 25 1 -0.000533365 0.000137188 -0.000158815 26 1 -0.000028686 -0.000665068 0.000719291 27 6 -0.000770390 0.001295665 -0.001596096 28 6 -0.002081107 0.001546507 -0.001919795 29 1 0.000584938 -0.001193252 0.001370021 30 1 0.000728503 -0.000852992 0.000720606 31 1 0.000769797 -0.000637447 0.000916195 32 1 -0.001131954 -0.000279462 0.000622429 33 1 0.000174732 -0.000660271 -0.000133982 34 1 0.000318540 0.000263399 0.000512742 ------------------------------------------------------------------- Cartesian Forces: Max 0.010499366 RMS 0.002589171 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.009473454 RMS 0.002169493 Search for a local minimum. Step number 6 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 4 5 6 DE= -4.83D-03 DEPred=-5.75D-03 R= 8.40D-01 TightC=F SS= 1.41D+00 RLast= 3.36D-01 DXNew= 1.4270D+00 1.0084D+00 Trust test= 8.40D-01 RLast= 3.36D-01 DXMaxT set to 1.01D+00 ITU= 1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00836 0.01047 0.01130 0.01258 0.01612 Eigenvalues --- 0.01769 0.01787 0.01934 0.02388 0.02468 Eigenvalues --- 0.02546 0.02674 0.02714 0.02758 0.02860 Eigenvalues --- 0.02870 0.03653 0.04994 0.05056 0.09335 Eigenvalues --- 0.09736 0.09984 0.10370 0.10436 0.10498 Eigenvalues --- 0.10513 0.10604 0.10852 0.10886 0.10891 Eigenvalues --- 0.11420 0.13958 0.15147 0.15838 0.15997 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16011 Eigenvalues --- 0.16064 0.16098 0.16948 0.19159 0.20413 Eigenvalues --- 0.21231 0.22448 0.23603 0.24447 0.24782 Eigenvalues --- 0.24915 0.25000 0.25000 0.25085 0.26642 Eigenvalues --- 0.29887 0.33001 0.33453 0.33475 0.33543 Eigenvalues --- 0.33614 0.33700 0.34184 0.34796 0.34827 Eigenvalues --- 0.34833 0.34853 0.34863 0.34985 0.35945 Eigenvalues --- 0.37612 0.38541 0.38769 0.39216 0.39809 Eigenvalues --- 0.40244 0.42024 0.43842 0.44738 0.46750 Eigenvalues --- 0.48535 0.49521 0.52411 0.54486 0.60561 Eigenvalues --- 0.65223 0.71757 0.75161 0.85518 0.87609 Eigenvalues --- 1.29251 RFO step: Lambda=-2.75339960D-03 EMin= 8.36149363D-03 Quartic linear search produced a step of -0.06558. Iteration 1 RMS(Cart)= 0.04403602 RMS(Int)= 0.00101965 Iteration 2 RMS(Cart)= 0.00218089 RMS(Int)= 0.00006848 Iteration 3 RMS(Cart)= 0.00000644 RMS(Int)= 0.00006841 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00006841 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03767 -0.00031 -0.00005 -0.00048 -0.00053 2.03714 R2 2.02607 0.00270 0.00068 0.00170 0.00238 2.02844 R3 2.04328 -0.00005 -0.00003 0.00021 0.00018 2.04346 R4 2.70140 -0.00157 -0.00086 0.00364 0.00278 2.70418 R5 2.94612 0.00162 0.00004 -0.00326 -0.00323 2.94289 R6 4.10671 -0.00615 -0.00068 -0.00705 -0.00773 4.09898 R7 2.73232 0.00107 0.00006 0.00025 0.00031 2.73263 R8 2.95841 0.00222 0.00017 0.00103 0.00121 2.95962 R9 2.72072 0.00421 -0.00045 0.00881 0.00836 2.72907 R10 3.31519 0.00672 -0.00135 0.01858 0.01723 3.33243 R11 2.70732 0.00247 -0.00053 0.00672 0.00619 2.71351 R12 2.70504 -0.00142 -0.00042 0.00222 0.00180 2.70683 R13 2.03994 -0.00034 -0.00003 -0.00048 -0.00050 2.03943 R14 2.03595 -0.00014 0.00001 -0.00040 -0.00039 2.03556 R15 2.04387 -0.00019 -0.00001 -0.00039 -0.00040 2.04347 R16 2.60145 0.00470 0.00028 0.00306 0.00334 2.60479 R17 2.60313 0.00578 0.00096 -0.00469 -0.00372 2.59941 R18 2.60496 0.00220 0.00016 0.00065 0.00081 2.60576 R19 2.02811 0.00019 0.00024 -0.00225 -0.00201 2.02610 R20 2.62351 0.00198 -0.00012 0.00155 0.00143 2.62494 R21 2.02245 0.00099 0.00016 0.00014 0.00030 2.02275 R22 2.65274 -0.00164 -0.00189 0.00516 0.00327 2.65601 R23 2.54601 0.00065 -0.00057 0.00562 0.00505 2.55106 R24 2.61784 -0.00097 -0.00060 0.00411 0.00351 2.62134 R25 2.55256 -0.00485 -0.00134 -0.00185 -0.00319 2.54937 R26 2.02587 -0.00051 0.00017 -0.00226 -0.00209 2.02378 R27 2.65092 -0.00237 -0.00005 -0.00543 -0.00549 2.64543 R28 2.65818 -0.00037 -0.00046 0.00211 0.00165 2.65983 R29 2.04288 -0.00114 -0.00031 0.00071 0.00040 2.04328 R30 2.05060 -0.00056 -0.00020 0.00109 0.00088 2.05149 R31 2.05043 -0.00058 -0.00021 0.00111 0.00090 2.05133 R32 2.04329 -0.00090 -0.00020 -0.00006 -0.00026 2.04303 R33 2.04377 -0.00068 0.00001 -0.00058 -0.00056 2.04321 R34 2.04394 -0.00064 0.00002 -0.00064 -0.00062 2.04332 A1 1.93963 0.00039 -0.00026 0.00439 0.00413 1.94376 A2 1.91644 0.00050 0.00033 0.00226 0.00259 1.91903 A3 1.84232 0.00022 0.00009 0.00146 0.00154 1.84387 A4 1.91903 0.00079 -0.00008 0.00473 0.00463 1.92366 A5 1.92954 -0.00247 -0.00038 -0.01291 -0.01331 1.91623 A6 1.91557 0.00055 0.00032 -0.00013 0.00018 1.91575 A7 2.31177 -0.00947 -0.00226 -0.01943 -0.02169 2.29008 A8 1.89498 -0.00663 -0.00203 -0.02575 -0.02775 1.86723 A9 1.97634 0.00164 0.00038 0.00846 0.00887 1.98521 A10 1.85774 0.00105 -0.00003 0.00506 0.00498 1.86272 A11 1.93203 0.00365 0.00068 0.01061 0.01131 1.94334 A12 1.71836 0.00053 -0.00007 0.00112 0.00104 1.71940 A13 2.06283 -0.00113 0.00072 -0.00336 -0.00268 2.06014 A14 1.88265 -0.00367 -0.00113 -0.01739 -0.01868 1.86397 A15 1.81155 -0.00061 0.00026 0.00231 0.00266 1.81421 A16 1.87977 -0.00300 -0.00092 -0.00857 -0.00972 1.87005 A17 1.87257 0.00441 0.00107 0.01704 0.01808 1.89065 A18 2.12012 -0.00182 0.00059 -0.01754 -0.01761 2.10250 A19 1.87380 0.00492 0.00008 0.02733 0.02736 1.90116 A20 2.13313 0.00027 -0.00125 0.01345 0.01220 2.14533 A21 1.91136 0.00071 0.00040 -0.00064 -0.00024 1.91112 A22 1.85576 -0.00120 -0.00014 -0.00502 -0.00516 1.85060 A23 1.91770 0.00085 0.00039 0.00034 0.00072 1.91843 A24 1.92931 0.00002 -0.00018 0.00161 0.00143 1.93073 A25 1.92707 -0.00047 -0.00034 0.00195 0.00161 1.92868 A26 1.92138 0.00008 -0.00012 0.00151 0.00139 1.92277 A27 2.10154 -0.00226 -0.00003 -0.00615 -0.00620 2.09533 A28 2.06676 0.00496 0.00110 0.00077 0.00184 2.06860 A29 2.11485 -0.00270 -0.00107 0.00528 0.00421 2.11906 A30 2.06841 0.00113 0.00045 -0.00015 0.00032 2.06873 A31 2.12546 -0.00154 -0.00024 -0.00396 -0.00421 2.12125 A32 2.08929 0.00041 -0.00021 0.00408 0.00386 2.09315 A33 2.11816 -0.00037 0.00001 -0.00319 -0.00318 2.11498 A34 2.06934 0.00095 0.00028 0.00288 0.00316 2.07249 A35 2.09569 -0.00058 -0.00029 0.00031 0.00002 2.09571 A36 2.09043 -0.00068 -0.00040 0.00199 0.00158 2.09202 A37 2.14699 -0.00049 0.00113 -0.00526 -0.00414 2.14285 A38 2.04576 0.00118 -0.00073 0.00328 0.00255 2.04831 A39 2.06296 0.00344 0.00115 0.00004 0.00119 2.06415 A40 2.22339 -0.00254 -0.00270 0.00636 0.00366 2.22705 A41 1.99684 -0.00090 0.00155 -0.00641 -0.00485 1.99199 A42 2.11142 -0.00081 -0.00014 -0.00398 -0.00411 2.10731 A43 2.10925 0.00014 -0.00012 0.00292 0.00280 2.11205 A44 2.06252 0.00067 0.00026 0.00106 0.00131 2.06383 A45 2.10043 0.00006 0.00023 -0.00417 -0.00394 2.09649 A46 2.20392 -0.00556 -0.00314 -0.00316 -0.00630 2.19762 A47 1.85794 -0.00168 -0.00100 0.00056 -0.00044 1.85750 A48 1.94991 -0.00113 -0.00029 -0.00186 -0.00215 1.94777 A49 1.94956 -0.00116 -0.00026 -0.00228 -0.00255 1.94701 A50 1.89815 0.00143 0.00057 0.00124 0.00181 1.89995 A51 1.89907 0.00141 0.00054 0.00139 0.00193 1.90100 A52 1.90744 0.00121 0.00044 0.00111 0.00155 1.90899 A53 1.83629 -0.00164 0.00002 -0.00685 -0.00683 1.82947 A54 1.94796 0.00045 -0.00019 0.00270 0.00251 1.95047 A55 1.94757 0.00049 -0.00021 0.00327 0.00305 1.95062 A56 1.91029 0.00033 0.00025 -0.00044 -0.00019 1.91011 A57 1.91000 0.00033 0.00024 -0.00029 -0.00005 1.90995 A58 1.91012 0.00001 -0.00008 0.00123 0.00114 1.91126 D1 -2.99702 -0.00018 -0.00520 0.04450 0.03931 -2.95772 D2 1.18706 0.00056 -0.00474 0.04535 0.04062 1.22768 D3 -0.93279 0.00082 -0.00459 0.04792 0.04332 -0.88947 D4 -0.89177 -0.00115 0.00983 -0.11830 -0.10846 -1.00023 D5 -3.04497 -0.00209 0.01019 -0.11880 -0.10858 3.12963 D6 0.94296 -0.00272 0.00894 -0.12508 -0.11617 0.82679 D7 0.28623 0.00380 -0.00134 0.04499 0.04353 0.32976 D8 -1.69684 0.00061 -0.00221 0.03182 0.02964 -1.66720 D9 2.60306 -0.00344 -0.00205 0.00349 0.00161 2.60468 D10 2.46581 0.00371 -0.00183 0.04492 0.04293 2.50875 D11 0.48274 0.00052 -0.00269 0.03176 0.02904 0.51178 D12 -1.50054 -0.00352 -0.00253 0.00342 0.00102 -1.49952 D13 -1.64406 0.00431 -0.00073 0.04634 0.04546 -1.59860 D14 2.65605 0.00112 -0.00159 0.03317 0.03157 2.68762 D15 0.67277 -0.00292 -0.00143 0.00484 0.00355 0.67631 D16 1.47885 0.00397 -0.00058 0.05118 0.05061 1.52946 D17 -2.84415 -0.00269 -0.00280 0.02523 0.02243 -2.82172 D18 -0.76691 0.00163 -0.00167 0.03745 0.03578 -0.73113 D19 1.17399 0.00090 -0.00225 0.03296 0.03066 1.20465 D20 -1.97673 0.00065 -0.00118 0.02005 0.01884 -1.95789 D21 -0.81631 0.00350 -0.00154 0.04452 0.04308 -0.77323 D22 2.31615 0.00326 -0.00047 0.03161 0.03126 2.34741 D23 -3.12163 -0.00075 -0.00313 0.03549 0.03227 -3.08936 D24 0.01084 -0.00100 -0.00206 0.02258 0.02045 0.03129 D25 1.04771 0.00007 0.00057 -0.00856 -0.00799 1.03971 D26 3.13256 -0.00021 0.00049 -0.00986 -0.00937 3.12319 D27 -1.07181 -0.00035 0.00048 -0.01078 -0.01030 -1.08210 D28 3.13744 -0.00022 0.00073 -0.01159 -0.01083 3.12661 D29 0.00449 -0.00016 0.00055 -0.00816 -0.00760 -0.00311 D30 0.00523 -0.00001 -0.00036 0.00170 0.00135 0.00658 D31 -3.12772 0.00005 -0.00054 0.00514 0.00459 -3.12314 D32 -3.12417 0.00016 -0.00112 0.01180 0.01071 -3.11346 D33 0.01487 0.00023 -0.00091 0.01299 0.01211 0.02698 D34 0.00823 -0.00009 -0.00005 -0.00127 -0.00134 0.00689 D35 -3.13592 -0.00002 0.00017 -0.00008 0.00007 -3.13586 D36 -0.00897 0.00002 0.00019 -0.00128 -0.00108 -0.01006 D37 3.13338 0.00013 0.00029 0.00203 0.00232 3.13570 D38 3.12416 -0.00004 0.00038 -0.00468 -0.00430 3.11986 D39 -0.01667 0.00007 0.00047 -0.00137 -0.00090 -0.01757 D40 -0.00055 0.00005 0.00037 0.00044 0.00080 0.00025 D41 3.13903 0.00019 0.00048 0.00474 0.00521 -3.13894 D42 3.14027 -0.00006 0.00027 -0.00292 -0.00265 3.13762 D43 -0.00333 0.00008 0.00038 0.00138 0.00176 -0.00157 D44 0.01366 -0.00009 -0.00075 0.00005 -0.00071 0.01296 D45 -3.12773 -0.00010 -0.00087 0.00009 -0.00077 -3.12850 D46 -3.12604 -0.00023 -0.00086 -0.00400 -0.00487 -3.13091 D47 0.01575 -0.00023 -0.00097 -0.00396 -0.00494 0.01082 D48 -0.01172 -0.00013 0.00012 -0.00440 -0.00428 -0.01601 D49 3.12791 0.00001 0.00023 -0.00020 0.00002 3.12793 D50 -0.01751 0.00012 0.00060 0.00040 0.00100 -0.01651 D51 3.12657 0.00005 0.00039 -0.00076 -0.00036 3.12621 D52 3.12391 0.00012 0.00070 0.00036 0.00106 3.12497 D53 -0.01519 0.00005 0.00049 -0.00080 -0.00031 -0.01550 D54 -0.03408 -0.00020 0.00080 -0.01648 -0.01567 -0.04975 D55 3.10771 -0.00020 0.00069 -0.01643 -0.01574 3.09197 D56 -3.13573 0.00004 -0.00016 0.00307 0.00291 -3.13282 D57 1.07768 -0.00003 -0.00009 0.00226 0.00217 1.07985 D58 -1.06503 0.00008 -0.00026 0.00383 0.00357 -1.06146 D59 -3.12603 0.00001 -0.00051 0.00393 0.00342 -3.12261 D60 1.08695 0.00037 -0.00073 0.00714 0.00642 1.09336 D61 -1.05638 -0.00032 -0.00033 0.00120 0.00087 -1.05551 Item Value Threshold Converged? Maximum Force 0.009473 0.000450 NO RMS Force 0.002169 0.000300 NO Maximum Displacement 0.179220 0.001800 NO RMS Displacement 0.044709 0.001200 NO Predicted change in Energy=-1.620398D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.773412 -0.205253 -0.019279 2 1 0 -0.228991 -0.136745 -0.409915 3 1 0 1.103123 0.735432 0.378972 4 1 0 0.820932 -0.970966 0.742788 5 8 0 1.595918 -0.576227 -1.129953 6 15 0 3.080593 -1.041482 -1.197018 7 16 0 4.276334 0.522003 -0.285618 8 8 0 3.537207 -1.340289 -2.536149 9 8 0 3.258533 -2.141051 -0.096040 10 6 0 2.997815 -3.529414 -0.333167 11 1 0 3.635262 -3.885004 -1.128110 12 1 0 3.223840 -4.036437 0.589950 13 1 0 1.957010 -3.670066 -0.590600 14 8 0 3.378507 1.320797 0.515283 15 6 0 4.815417 1.496425 -1.652962 16 8 0 5.417145 -0.112132 0.312975 17 6 0 3.908229 2.257311 -2.358681 18 6 0 4.366936 3.021258 -3.410997 19 6 0 5.713141 3.040087 -3.752844 20 6 0 6.632247 2.270049 -3.019558 21 6 0 6.152968 1.494570 -1.974032 22 1 0 3.664585 3.609214 -3.964846 23 8 0 6.197536 3.777996 -4.774243 24 8 0 7.965677 2.182736 -3.204849 25 1 0 6.851445 0.896890 -1.424658 26 1 0 2.867939 2.273199 -2.099668 27 6 0 5.330895 4.553715 -5.553295 28 6 0 8.700846 2.816540 -4.224128 29 1 0 5.943074 5.038106 -6.301436 30 1 0 4.833592 5.314932 -4.960198 31 1 0 4.585724 3.941071 -6.051023 32 1 0 9.722616 2.500985 -4.065260 33 1 0 8.641287 3.893616 -4.150691 34 1 0 8.376207 2.503133 -5.206749 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.078007 0.000000 3 H 1.073407 1.776953 0.000000 4 H 1.081352 1.768328 1.767424 0.000000 5 O 1.430991 2.010445 2.059163 2.064844 0.000000 6 P 2.722028 3.520146 3.090560 2.978908 1.557312 7 S 3.587521 4.554926 3.249078 3.902100 3.017224 8 O 3.906598 4.489280 4.327970 4.273872 2.515906 9 O 3.151037 4.034672 3.625684 2.831012 2.506380 10 C 4.012050 4.682773 4.720796 3.527344 3.364743 11 H 4.791687 5.431178 5.480097 4.462324 3.886764 12 H 4.588434 5.303712 5.226154 3.898004 4.193000 13 H 3.705704 4.158798 4.591036 3.217722 3.161192 14 O 3.066123 3.999308 2.353425 3.441676 3.079468 15 C 4.680003 5.445958 4.299883 5.271010 3.864530 16 O 4.656535 5.692277 4.396989 4.695478 4.110863 17 C 4.622132 5.161955 4.204698 5.438041 3.858172 18 C 5.901486 6.332616 5.499213 6.765052 5.081692 19 C 6.990898 7.521726 6.605726 7.760990 6.075262 20 C 7.032407 7.725250 6.669054 7.644005 6.085763 21 C 5.970769 6.770307 5.622621 6.472294 5.076157 22 H 6.202946 6.467587 5.804177 7.157250 5.462043 23 O 8.239969 8.699012 7.859127 9.049760 7.308557 24 O 8.220647 8.963495 7.876111 8.750832 7.245060 25 H 6.335006 7.227079 6.026804 6.674863 5.466030 26 H 3.854579 4.272478 3.409246 4.774347 3.267661 27 C 8.604868 8.908821 8.224666 9.513281 7.735134 28 C 9.468695 10.149487 9.123866 10.055272 8.459597 29 H 9.679035 9.979153 9.304085 10.581417 8.784232 30 H 8.448088 8.720987 7.962096 9.388185 7.736864 31 H 8.252736 8.463578 7.984327 9.190083 7.318596 32 H 10.187343 10.924910 9.857183 10.696343 9.172158 33 H 9.786356 10.436429 9.344298 10.429202 8.873646 34 H 9.594149 10.199412 9.339315 10.224898 8.489702 6 7 8 9 10 6 P 0.000000 7 S 2.169086 0.000000 8 O 1.446048 3.013193 0.000000 9 O 1.566163 2.857222 2.583217 0.000000 10 C 2.634937 4.248629 3.152196 1.432395 0.000000 11 H 2.897934 4.532381 2.909942 2.061181 1.079221 12 H 3.490491 4.759594 4.140037 2.016004 1.077174 13 H 2.922266 4.800597 3.421995 2.067956 1.081356 14 O 2.932762 1.444163 4.051889 3.517456 4.938556 15 C 3.107808 1.763444 3.234314 4.251955 5.504960 16 O 2.933128 1.435928 3.627677 2.990553 4.236563 17 C 3.593950 2.728440 3.621033 4.988711 6.198205 18 C 4.802316 4.002808 4.525141 6.234335 7.366059 19 C 5.488330 4.519603 5.040112 6.800111 7.888316 20 C 5.186727 4.010040 4.779906 6.275883 7.352521 21 C 4.058916 2.705251 3.898026 5.012220 6.155310 22 H 5.443427 4.841676 5.153153 6.942484 8.037020 23 O 6.763080 5.868582 6.187347 8.096817 9.130149 24 O 6.187973 4.989107 5.698264 7.107534 8.096596 25 H 4.245990 2.840624 4.150247 4.889103 5.969420 26 H 3.441963 2.888085 3.700775 4.863403 6.066935 27 C 7.439572 6.716786 6.860012 8.882353 9.901008 28 C 7.458885 6.352406 6.840443 8.440236 9.377380 29 H 8.438618 7.704756 7.787779 9.861744 10.848833 30 H 7.592005 6.718214 7.200597 9.040605 10.148988 31 H 7.117065 6.710114 6.430124 8.614840 9.540622 32 H 8.055579 6.918385 7.439950 8.893120 9.773289 33 H 8.000044 6.734937 7.486798 9.046074 10.075894 34 H 7.528995 6.704578 6.732007 8.595254 9.437718 11 12 13 14 15 11 H 0.000000 12 H 1.773114 0.000000 13 H 1.775288 1.769967 0.000000 14 O 5.465074 5.359986 5.305879 0.000000 15 C 5.534258 6.178699 5.999311 2.607074 0.000000 16 O 4.414340 4.504161 5.044589 2.500051 2.610448 17 C 6.270315 6.983844 6.485921 3.068767 1.378397 18 C 7.310498 8.193003 7.650896 4.391381 2.370008 19 C 7.691794 8.667968 8.314714 5.159784 2.756503 20 C 7.102407 8.026055 7.939941 4.897244 2.401448 21 C 5.999521 6.763567 6.796574 3.731557 1.375549 22 H 8.013192 8.910466 8.203004 5.038873 3.336631 23 O 8.864599 9.933922 9.537221 6.477950 4.105876 24 O 7.738399 8.692734 8.785994 5.968622 3.578201 25 H 5.770466 6.446385 6.745979 4.000545 2.134707 26 H 6.281415 6.868202 6.199151 2.829437 2.143734 27 C 9.678295 10.768929 10.180472 7.147811 4.982503 28 C 8.952997 10.006809 10.037824 7.281932 4.842536 29 H 10.569352 11.714639 11.150544 8.176982 5.951759 30 H 10.037914 10.992886 10.397034 6.931903 5.051648 31 H 9.294401 10.468900 9.729120 7.172139 5.037062 32 H 9.298580 10.326808 10.509985 7.913402 5.559580 33 H 9.731558 10.710190 10.703416 7.489163 5.159697 34 H 8.939807 10.144683 10.031118 7.688730 5.130506 16 17 18 19 20 16 O 0.000000 17 C 3.876704 0.000000 18 C 4.978859 1.378911 0.000000 19 C 5.153153 2.411252 1.389058 0.000000 20 C 4.272826 2.803069 2.418507 1.405497 0.000000 21 C 2.890213 2.401787 2.754188 2.397132 1.387156 22 H 5.934614 2.113474 1.070392 2.136688 3.390274 23 O 6.451503 3.659010 2.404619 1.349965 2.354102 24 O 4.912893 4.145413 3.700886 2.471694 1.349071 25 H 2.468747 3.374265 3.825084 3.362957 2.115968 26 H 4.243713 1.072168 2.127480 3.378799 3.875078 27 C 7.496044 4.183659 2.804832 2.383024 3.650817 28 C 6.320214 5.173181 4.414280 3.032897 2.455349 29 H 8.399523 5.236290 3.860897 3.246578 4.348312 30 H 7.589461 4.119859 2.806908 2.721439 4.033926 31 H 7.590796 4.114296 2.804222 2.713755 4.021237 32 H 6.673411 6.064560 5.420522 4.057601 3.270658 33 H 6.809217 5.318895 4.424730 3.075847 2.819871 34 H 6.786974 5.304220 4.423509 3.081247 2.807050 21 22 23 24 25 21 C 0.000000 22 H 3.824541 0.000000 23 O 3.613475 2.664480 0.000000 24 O 2.296605 4.594762 2.852048 0.000000 25 H 1.070936 4.895441 4.466328 2.462518 0.000000 26 H 3.378382 2.428677 4.528133 5.216948 4.268277 27 C 4.779675 2.488341 1.399903 4.251919 5.721021 28 C 3.647220 5.104850 2.737441 1.407519 3.865536 29 H 5.597064 3.562709 1.996233 4.672570 6.462025 30 H 5.025247 2.294946 2.063273 4.764647 6.007568 31 H 5.006343 2.304509 2.062692 4.755684 5.983626 32 H 4.257757 6.159383 3.815705 1.982025 4.217763 33 H 4.084728 4.988286 2.524699 2.068376 4.428901 34 H 4.050981 4.996511 2.561043 2.068525 4.382822 26 27 28 29 30 26 H 0.000000 27 C 4.816061 0.000000 28 C 6.231481 4.017590 0.000000 29 H 5.895424 1.081256 4.105590 0.000000 30 H 4.615038 1.085599 4.662555 1.762527 0.000000 31 H 4.620151 1.085516 4.640727 1.763120 1.771675 32 H 7.134567 5.071012 1.081123 5.071726 5.711547 33 H 6.337508 3.655369 1.081219 3.635370 4.144150 34 H 6.328337 3.687669 1.081277 3.680294 4.529583 31 32 33 34 31 H 0.000000 32 H 5.692518 0.000000 33 H 4.478963 1.765217 0.000000 34 H 4.141041 1.765168 1.766060 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.728295 2.063452 -0.551932 2 1 0 4.028737 3.034090 -0.191798 3 1 0 3.153896 2.142040 -1.455310 4 1 0 4.599837 1.444698 -0.715881 5 8 0 2.922459 1.498774 0.487058 6 15 0 2.367718 0.057356 0.686553 7 16 0 1.188862 -0.416819 -1.071398 8 8 0 1.595538 -0.106857 1.898092 9 8 0 3.562345 -0.924015 0.436265 10 6 0 4.472228 -1.321950 1.468503 11 1 0 3.926499 -1.810570 2.261061 12 1 0 5.164832 -2.005870 1.007139 13 1 0 4.999161 -0.457491 1.848482 14 8 0 1.596358 0.502798 -2.107669 15 6 0 -0.462177 -0.019925 -0.595707 16 8 0 1.286392 -1.834646 -1.276686 17 6 0 -0.826923 1.294778 -0.399511 18 6 0 -2.130738 1.570708 -0.045498 19 6 0 -3.066565 0.554699 0.100910 20 6 0 -2.687835 -0.781792 -0.113047 21 6 0 -1.368884 -1.044452 -0.453018 22 1 0 -2.416381 2.590024 0.113064 23 8 0 -4.351346 0.788261 0.443243 24 8 0 -3.465083 -1.881218 -0.028554 25 1 0 -1.077238 -2.064097 -0.601914 26 1 0 -0.126062 2.096162 -0.526476 27 6 0 -4.786993 2.096312 0.686027 28 6 0 -4.820004 -1.907211 0.351740 29 1 0 -5.833814 2.026373 0.947537 30 1 0 -4.686632 2.721132 -0.196046 31 1 0 -4.247457 2.549575 1.511737 32 1 0 -5.095660 -2.952171 0.321736 33 1 0 -5.440426 -1.351427 -0.337618 34 1 0 -4.962580 -1.526183 1.353563 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6546044 0.1703826 0.1589666 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1927.5831814790 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.71D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999946 -0.010164 0.000183 -0.002214 Ang= -1.19 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.60646782 A.U. after 13 cycles NFock= 13 Conv=0.39D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.001243806 -0.005885364 0.001089644 2 1 0.000163369 0.000052013 -0.000061142 3 1 -0.000018905 0.001441001 0.000209728 4 1 0.000139107 0.000438520 -0.000082827 5 8 -0.004447146 0.008107583 -0.003081643 6 15 0.008858436 0.000281513 0.003081047 7 16 -0.005667281 -0.002931745 -0.001410927 8 8 -0.000965680 -0.002368706 -0.000913014 9 8 -0.003180996 -0.001713769 0.002797156 10 6 0.001900002 0.002886003 -0.000778163 11 1 -0.000544127 -0.000359793 0.000025572 12 1 0.000134140 0.000048620 -0.000015093 13 1 0.000213325 -0.000476731 -0.000150700 14 8 0.000771632 -0.001590497 -0.000463090 15 6 -0.002999757 -0.003184862 0.005746224 16 8 -0.000638358 0.001952853 -0.000989318 17 6 -0.001047202 0.002632947 -0.000420723 18 6 -0.000827337 -0.000754857 0.000640944 19 6 0.006772913 0.000215897 -0.001671570 20 6 -0.002884475 -0.000486511 -0.000141954 21 6 0.007535025 0.002018454 -0.005912534 22 1 -0.000115287 0.000494941 -0.000498706 23 8 -0.000607500 -0.000657433 0.001481921 24 8 -0.001650520 0.000141864 0.000883719 25 1 0.000226150 -0.000261853 0.000637703 26 1 -0.000764771 -0.000450142 0.000653693 27 6 -0.001705916 0.002114600 -0.002443019 28 6 -0.000437719 0.000789832 -0.000744336 29 1 0.000206958 -0.001113950 0.001312321 30 1 0.000678514 -0.000829234 0.000059722 31 1 0.000807310 0.000014231 0.000678936 32 1 -0.000777673 0.000065379 -0.000030109 33 1 -0.000146550 -0.000674297 0.000055200 34 1 -0.000223488 0.000043494 0.000455337 ------------------------------------------------------------------- Cartesian Forces: Max 0.008858436 RMS 0.002344836 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.006780660 RMS 0.001414305 Search for a local minimum. Step number 7 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 5 6 7 DE= -2.10D-03 DEPred=-1.62D-03 R= 1.30D+00 TightC=F SS= 1.41D+00 RLast= 2.58D-01 DXNew= 1.6959D+00 7.7485D-01 Trust test= 1.30D+00 RLast= 2.58D-01 DXMaxT set to 1.01D+00 ITU= 1 1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00678 0.00837 0.01063 0.01136 0.01605 Eigenvalues --- 0.01766 0.01787 0.01876 0.02386 0.02467 Eigenvalues --- 0.02547 0.02674 0.02717 0.02762 0.02861 Eigenvalues --- 0.02868 0.03666 0.04922 0.05055 0.09430 Eigenvalues --- 0.09765 0.09944 0.10381 0.10420 0.10508 Eigenvalues --- 0.10523 0.10634 0.10880 0.10907 0.10938 Eigenvalues --- 0.11721 0.13289 0.15696 0.15876 0.15978 Eigenvalues --- 0.15998 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16010 Eigenvalues --- 0.16076 0.16294 0.18057 0.19181 0.20421 Eigenvalues --- 0.21986 0.23143 0.23610 0.24198 0.24651 Eigenvalues --- 0.24840 0.24992 0.25000 0.25472 0.26497 Eigenvalues --- 0.29828 0.33037 0.33452 0.33478 0.33539 Eigenvalues --- 0.33630 0.33698 0.34131 0.34798 0.34830 Eigenvalues --- 0.34834 0.34849 0.34867 0.35222 0.35957 Eigenvalues --- 0.37071 0.38553 0.38830 0.39202 0.39336 Eigenvalues --- 0.40018 0.42202 0.44248 0.44825 0.46762 Eigenvalues --- 0.48168 0.49164 0.52327 0.54259 0.60149 Eigenvalues --- 0.64472 0.72371 0.75546 0.87433 0.93416 Eigenvalues --- 1.29189 RFO step: Lambda=-2.60862047D-03 EMin= 6.78457178D-03 Quartic linear search produced a step of 0.77998. Iteration 1 RMS(Cart)= 0.09594176 RMS(Int)= 0.00877545 Iteration 2 RMS(Cart)= 0.02382490 RMS(Int)= 0.00037707 Iteration 3 RMS(Cart)= 0.00063849 RMS(Int)= 0.00006693 Iteration 4 RMS(Cart)= 0.00000036 RMS(Int)= 0.00006693 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03714 -0.00013 -0.00041 -0.00025 -0.00067 2.03647 R2 2.02844 0.00133 0.00185 0.00192 0.00377 2.03222 R3 2.04346 -0.00036 0.00014 -0.00130 -0.00115 2.04230 R4 2.70418 -0.00101 0.00217 0.00211 0.00428 2.70846 R5 2.94289 0.00394 -0.00252 0.01083 0.00832 2.95121 R6 4.09898 -0.00458 -0.00603 -0.01541 -0.02144 4.07754 R7 2.73263 0.00103 0.00025 0.00149 0.00174 2.73437 R8 2.95962 0.00088 0.00094 0.00119 0.00213 2.96175 R9 2.72907 -0.00162 0.00652 0.00038 0.00690 2.73597 R10 3.33243 0.00011 0.01344 0.00884 0.02228 3.35470 R11 2.71351 -0.00178 0.00483 0.00035 0.00517 2.71869 R12 2.70683 -0.00219 0.00140 -0.00385 -0.00245 2.70439 R13 2.03943 -0.00022 -0.00039 -0.00068 -0.00107 2.03836 R14 2.03556 -0.00001 -0.00030 -0.00000 -0.00030 2.03526 R15 2.04347 -0.00011 -0.00031 -0.00039 -0.00070 2.04276 R16 2.60479 0.00258 0.00261 0.00449 0.00711 2.61190 R17 2.59941 0.00678 -0.00290 0.00820 0.00530 2.60471 R18 2.60576 0.00144 0.00063 0.00116 0.00179 2.60755 R19 2.02610 0.00089 -0.00157 0.00109 -0.00047 2.02563 R20 2.62494 0.00207 0.00111 0.00495 0.00606 2.63100 R21 2.02275 0.00061 0.00023 0.00096 0.00119 2.02394 R22 2.65601 -0.00377 0.00255 -0.00580 -0.00325 2.65275 R23 2.55106 -0.00131 0.00394 0.00098 0.00492 2.55598 R24 2.62134 -0.00214 0.00274 -0.00187 0.00086 2.62221 R25 2.54937 -0.00331 -0.00249 -0.00306 -0.00555 2.54383 R26 2.02378 0.00062 -0.00163 0.00153 -0.00010 2.02368 R27 2.64543 0.00033 -0.00428 0.00176 -0.00252 2.64291 R28 2.65983 -0.00054 0.00128 0.00158 0.00286 2.66268 R29 2.04328 -0.00129 0.00031 -0.00301 -0.00270 2.04058 R30 2.05149 -0.00086 0.00069 -0.00183 -0.00114 2.05035 R31 2.05133 -0.00087 0.00070 -0.00184 -0.00114 2.05019 R32 2.04303 -0.00076 -0.00021 -0.00148 -0.00168 2.04134 R33 2.04321 -0.00066 -0.00044 -0.00267 -0.00311 2.04010 R34 2.04332 -0.00036 -0.00048 -0.00129 -0.00178 2.04154 A1 1.94376 -0.00033 0.00322 -0.00193 0.00127 1.94502 A2 1.91903 0.00017 0.00202 0.00040 0.00241 1.92144 A3 1.84387 -0.00028 0.00120 -0.00356 -0.00237 1.84150 A4 1.92366 0.00006 0.00361 0.00280 0.00639 1.93005 A5 1.91623 0.00009 -0.01038 0.00149 -0.00891 1.90732 A6 1.91575 0.00030 0.00014 0.00057 0.00069 1.91645 A7 2.29008 -0.00630 -0.01692 -0.02874 -0.04566 2.24443 A8 1.86723 -0.00171 -0.02164 -0.00723 -0.02879 1.83844 A9 1.98521 -0.00007 0.00692 -0.00228 0.00480 1.99001 A10 1.86272 -0.00006 0.00388 -0.00220 0.00160 1.86432 A11 1.94334 0.00185 0.00882 0.01318 0.02204 1.96538 A12 1.71940 0.00032 0.00081 0.00337 0.00410 1.72349 A13 2.06014 -0.00046 -0.00209 -0.00471 -0.00696 2.05318 A14 1.86397 -0.00022 -0.01457 0.00848 -0.00626 1.85771 A15 1.81421 0.00136 0.00207 0.00797 0.01006 1.82427 A16 1.87005 0.00019 -0.00759 0.01166 0.00382 1.87386 A17 1.89065 0.00007 0.01410 -0.00737 0.00673 1.89738 A18 2.10250 -0.00003 -0.01374 -0.00190 -0.01619 2.08632 A19 1.90116 -0.00110 0.02134 -0.01615 0.00510 1.90626 A20 2.14533 -0.00141 0.00951 0.00168 0.01120 2.15653 A21 1.91112 0.00068 -0.00019 0.00296 0.00277 1.91389 A22 1.85060 -0.00030 -0.00402 -0.00174 -0.00577 1.84483 A23 1.91843 0.00065 0.00056 0.00279 0.00335 1.92178 A24 1.93073 -0.00020 0.00111 -0.00036 0.00075 1.93149 A25 1.92868 -0.00067 0.00126 -0.00344 -0.00219 1.92649 A26 1.92277 -0.00013 0.00108 -0.00004 0.00105 1.92382 A27 2.09533 -0.00135 -0.00484 -0.00873 -0.01360 2.08173 A28 2.06860 0.00385 0.00143 0.00977 0.01117 2.07976 A29 2.11906 -0.00251 0.00328 -0.00109 0.00216 2.12122 A30 2.06873 0.00002 0.00025 -0.00244 -0.00218 2.06654 A31 2.12125 -0.00066 -0.00328 -0.00444 -0.00773 2.11352 A32 2.09315 0.00064 0.00301 0.00691 0.00992 2.10306 A33 2.11498 0.00060 -0.00248 0.00247 -0.00001 2.11496 A34 2.07249 0.00007 0.00246 0.00038 0.00284 2.07533 A35 2.09571 -0.00068 0.00001 -0.00286 -0.00285 2.09285 A36 2.09202 -0.00063 0.00124 -0.00175 -0.00053 2.09149 A37 2.14285 0.00096 -0.00323 -0.00181 -0.00504 2.13781 A38 2.04831 -0.00033 0.00199 0.00356 0.00555 2.05386 A39 2.06415 0.00278 0.00093 0.00419 0.00511 2.06926 A40 2.22705 -0.00352 0.00286 -0.00049 0.00236 2.22942 A41 1.99199 0.00074 -0.00379 -0.00370 -0.00748 1.98450 A42 2.10731 -0.00027 -0.00321 -0.00131 -0.00452 2.10279 A43 2.11205 -0.00016 0.00219 -0.00048 0.00170 2.11375 A44 2.06383 0.00043 0.00102 0.00179 0.00280 2.06663 A45 2.09649 0.00180 -0.00307 0.00576 0.00268 2.09917 A46 2.19762 -0.00437 -0.00491 -0.00455 -0.00946 2.18817 A47 1.85750 -0.00148 -0.00034 -0.00734 -0.00770 1.84980 A48 1.94777 -0.00052 -0.00167 -0.00160 -0.00329 1.94448 A49 1.94701 -0.00043 -0.00199 -0.00091 -0.00290 1.94411 A50 1.89995 0.00089 0.00141 0.00322 0.00462 1.90457 A51 1.90100 0.00086 0.00151 0.00309 0.00458 1.90559 A52 1.90899 0.00070 0.00121 0.00351 0.00471 1.91370 A53 1.82947 -0.00006 -0.00532 0.00040 -0.00493 1.82454 A54 1.95047 -0.00018 0.00196 -0.00077 0.00119 1.95166 A55 1.95062 -0.00044 0.00238 -0.00345 -0.00108 1.94954 A56 1.91011 0.00028 -0.00014 0.00151 0.00137 1.91147 A57 1.90995 0.00027 -0.00004 0.00101 0.00096 1.91092 A58 1.91126 0.00015 0.00089 0.00138 0.00226 1.91352 D1 -2.95772 0.00025 0.03066 0.06319 0.09387 -2.86385 D2 1.22768 0.00077 0.03168 0.06675 0.09842 1.32611 D3 -0.88947 0.00044 0.03379 0.06196 0.09575 -0.79373 D4 -1.00023 -0.00148 -0.08460 -0.15762 -0.24220 -1.24243 D5 3.12963 -0.00255 -0.08469 -0.16765 -0.25237 2.87725 D6 0.82679 -0.00182 -0.09061 -0.15755 -0.24816 0.57862 D7 0.32976 0.00061 0.03395 0.03582 0.06971 0.39947 D8 -1.66720 0.00001 0.02312 0.03707 0.06028 -1.60692 D9 2.60468 0.00055 0.00126 0.04674 0.04818 2.65286 D10 2.50875 0.00054 0.03349 0.03647 0.06973 2.57847 D11 0.51178 -0.00006 0.02265 0.03772 0.06029 0.57208 D12 -1.49952 0.00048 0.00080 0.04739 0.04820 -1.45132 D13 -1.59860 0.00102 0.03546 0.03889 0.07425 -1.52436 D14 2.68762 0.00042 0.02462 0.04014 0.06482 2.75244 D15 0.67631 0.00096 0.00277 0.04981 0.05272 0.72903 D16 1.52946 0.00152 0.03947 0.06744 0.10693 1.63639 D17 -2.82172 -0.00022 0.01749 0.06031 0.07784 -2.74388 D18 -0.73113 0.00206 0.02790 0.07662 0.10447 -0.62666 D19 1.20465 0.00092 0.02391 0.04215 0.06602 1.27067 D20 -1.95789 0.00100 0.01469 0.03988 0.05456 -1.90333 D21 -0.77323 0.00050 0.03360 0.03188 0.06552 -0.70771 D22 2.34741 0.00058 0.02438 0.02960 0.05406 2.40147 D23 -3.08936 0.00133 0.02517 0.05245 0.07757 -3.01179 D24 0.03129 0.00141 0.01595 0.05017 0.06611 0.09740 D25 1.03971 -0.00015 -0.00623 -0.01624 -0.02247 1.01724 D26 3.12319 -0.00019 -0.00731 -0.01609 -0.02339 3.09979 D27 -1.08210 -0.00017 -0.00803 -0.01566 -0.02369 -1.10579 D28 3.12661 0.00022 -0.00845 0.00451 -0.00384 3.12277 D29 -0.00311 0.00012 -0.00593 0.00154 -0.00432 -0.00743 D30 0.00658 0.00006 0.00105 0.00672 0.00780 0.01438 D31 -3.12314 -0.00004 0.00358 0.00376 0.00732 -3.11581 D32 -3.11346 -0.00029 0.00835 -0.00821 0.00027 -3.11318 D33 0.02698 -0.00018 0.00945 -0.00269 0.00685 0.03384 D34 0.00689 -0.00019 -0.00104 -0.01061 -0.01165 -0.00476 D35 -3.13586 -0.00009 0.00005 -0.00509 -0.00507 -3.14093 D36 -0.01006 0.00000 -0.00084 -0.00274 -0.00357 -0.01362 D37 3.13570 0.00003 0.00181 -0.00000 0.00181 3.13751 D38 3.11986 0.00009 -0.00336 0.00010 -0.00322 3.11664 D39 -0.01757 0.00012 -0.00070 0.00284 0.00216 -0.01541 D40 0.00025 0.00005 0.00062 0.00254 0.00315 0.00340 D41 -3.13894 0.00008 0.00406 0.00417 0.00819 -3.13076 D42 3.13762 0.00002 -0.00206 -0.00022 -0.00227 3.13535 D43 -0.00157 0.00004 0.00137 0.00140 0.00277 0.00120 D44 0.01296 -0.00013 -0.00055 -0.00601 -0.00658 0.00638 D45 -3.12850 -0.00008 -0.00060 -0.00117 -0.00175 -3.13025 D46 -3.13091 -0.00016 -0.00380 -0.00755 -0.01139 3.14088 D47 0.01082 -0.00010 -0.00385 -0.00271 -0.00656 0.00426 D48 -0.01601 -0.00008 -0.00334 -0.00420 -0.00754 -0.02355 D49 3.12793 -0.00006 0.00001 -0.00261 -0.00259 3.12533 D50 -0.01651 0.00020 0.00078 0.00998 0.01078 -0.00573 D51 3.12621 0.00010 -0.00028 0.00462 0.00437 3.13058 D52 3.12497 0.00015 0.00083 0.00578 0.00661 3.13157 D53 -0.01550 0.00005 -0.00024 0.00041 0.00020 -0.01530 D54 -0.04975 -0.00023 -0.01223 -0.03029 -0.04252 -0.09227 D55 3.09197 -0.00018 -0.01227 -0.02562 -0.03789 3.05408 D56 -3.13282 0.00002 0.00227 0.00322 0.00549 -3.12733 D57 1.07985 0.00013 0.00169 0.00471 0.00639 1.08624 D58 -1.06146 -0.00009 0.00278 0.00197 0.00476 -1.05670 D59 -3.12261 0.00016 0.00267 0.01655 0.01921 -3.10340 D60 1.09336 -0.00005 0.00500 0.01490 0.01991 1.11327 D61 -1.05551 0.00022 0.00068 0.01620 0.01688 -1.03863 Item Value Threshold Converged? Maximum Force 0.006781 0.000450 NO RMS Force 0.001414 0.000300 NO Maximum Displacement 0.409957 0.001800 NO RMS Displacement 0.111266 0.001200 NO Predicted change in Energy=-1.942409D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.732312 -0.323753 -0.115438 2 1 0 -0.244999 -0.225166 -0.558700 3 1 0 1.010240 0.563557 0.424868 4 1 0 0.760403 -1.187906 0.532984 5 8 0 1.634090 -0.511126 -1.213579 6 15 0 3.103823 -1.038562 -1.188206 7 16 0 4.262205 0.543085 -0.286882 8 8 0 3.611560 -1.430068 -2.485372 9 8 0 3.189056 -2.087865 -0.027131 10 6 0 3.010141 -3.494894 -0.217672 11 1 0 3.733334 -3.859438 -0.930129 12 1 0 3.169727 -3.942518 0.748828 13 1 0 2.006135 -3.698531 -0.562679 14 8 0 3.336426 1.333308 0.497113 15 6 0 4.825060 1.519702 -1.658328 16 8 0 5.395033 -0.067394 0.356374 17 6 0 3.923804 2.323431 -2.330723 18 6 0 4.385239 3.092113 -3.379632 19 6 0 5.727765 3.077214 -3.748149 20 6 0 6.634983 2.265845 -3.048703 21 6 0 6.159245 1.487640 -2.002980 22 1 0 3.693049 3.715025 -3.908730 23 8 0 6.210791 3.828963 -4.763529 24 8 0 7.958390 2.138440 -3.259524 25 1 0 6.851515 0.861843 -1.477685 26 1 0 2.892256 2.360547 -2.041698 27 6 0 5.351553 4.642282 -5.509327 28 6 0 8.677381 2.734454 -4.314602 29 1 0 5.967902 5.119694 -6.256470 30 1 0 4.889989 5.403974 -4.889647 31 1 0 4.582122 4.057610 -6.002453 32 1 0 9.690302 2.381964 -4.185599 33 1 0 8.659964 3.812162 -4.253596 34 1 0 8.306204 2.419367 -5.279006 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077654 0.000000 3 H 1.075404 1.779077 0.000000 4 H 1.080741 1.769033 1.772492 0.000000 5 O 1.433257 2.010377 2.056366 2.066844 0.000000 6 P 2.699231 3.503213 3.090612 2.911428 1.561713 7 S 3.638811 4.580282 3.329006 3.991381 2.979450 8 O 3.889805 4.476260 4.383024 4.159112 2.524341 9 O 3.025802 3.942708 3.461442 2.649908 2.512306 10 C 3.905776 4.626376 4.569845 3.308625 3.433397 11 H 4.708600 5.401206 5.367880 4.256301 3.962115 12 H 4.447854 5.214278 5.007299 3.665967 4.240716 13 H 3.634800 4.139068 4.486920 3.009247 3.274391 14 O 3.146821 4.046009 2.451302 3.604678 3.037492 15 C 4.746517 5.473504 4.450480 5.352983 3.808459 16 O 4.693537 5.715961 4.430485 4.771428 4.099554 17 C 4.701138 5.197532 4.379418 5.526067 3.811236 18 C 5.972184 6.356186 5.679652 6.838608 5.024335 19 C 7.051079 7.533406 6.781415 7.822661 6.004865 20 C 7.081778 7.729127 6.826509 7.698543 6.007344 21 C 6.024580 6.784836 5.767203 6.537366 5.009516 22 H 6.282257 6.500463 5.992436 7.236571 5.418810 23 O 8.298405 8.705961 8.039158 9.106522 7.237728 24 O 8.256142 8.954143 8.020710 8.789693 7.155618 25 H 6.380125 7.237861 6.150542 6.733936 5.401511 26 H 3.947316 4.327536 3.585402 4.874967 3.242726 27 C 8.665618 8.917519 8.408191 9.569706 7.670111 28 C 9.492614 10.122994 9.271485 10.077824 8.352131 29 H 9.734207 9.981595 9.485625 10.630171 8.713140 30 H 8.537342 8.764270 8.168609 9.482156 7.687833 31 H 8.286997 8.442613 8.141082 9.210478 7.245520 32 H 10.204543 10.893197 9.995324 10.712240 9.061205 33 H 9.852807 10.452303 9.537282 10.503099 8.791782 34 H 9.568228 10.119186 9.445068 10.184830 8.344615 6 7 8 9 10 6 P 0.000000 7 S 2.157739 0.000000 8 O 1.446967 3.024902 0.000000 9 O 1.567289 2.853246 2.579564 0.000000 10 C 2.642779 4.228206 3.125328 1.431100 0.000000 11 H 2.901763 4.480589 2.887117 2.061580 1.078654 12 H 3.491332 4.731472 4.119183 2.010528 1.077013 13 H 2.944765 4.812195 3.379358 2.068903 1.080984 14 O 2.918933 1.447815 4.075189 3.464242 4.891719 15 C 3.119036 1.775233 3.295107 4.283906 5.524092 16 O 2.928914 1.438667 3.621212 3.015910 4.214854 17 C 3.644271 2.731563 3.769638 5.030499 6.257210 18 C 4.848387 4.009712 4.674228 6.285085 7.434887 19 C 5.511623 4.533216 5.136976 6.853397 7.939921 20 C 5.181664 4.028106 4.808139 6.321321 7.371589 21 C 4.047364 2.726892 3.903387 5.050766 6.158720 22 H 5.508632 4.847982 5.338967 6.999596 8.128542 23 O 6.791831 5.885095 6.293123 8.159239 9.194990 24 O 6.160399 5.004353 5.677015 7.145387 8.091507 25 H 4.211951 2.867777 4.094582 4.921228 5.943479 26 H 3.511005 2.873901 3.883685 4.892335 6.134098 27 C 7.483072 6.727855 7.003236 8.945711 9.984862 28 C 7.421223 6.365408 6.808221 8.471061 9.365214 29 H 8.474335 7.713024 7.916622 9.923484 10.928245 30 H 7.641814 6.723675 7.356565 9.092023 10.225020 31 H 7.164727 6.717291 6.589876 8.684006 9.642362 32 H 8.004129 6.931502 7.373837 8.918432 9.741995 33 H 7.987292 6.764760 7.489591 9.088682 10.079794 34 H 7.467040 6.692957 6.682980 8.607121 9.415087 11 12 13 14 15 11 H 0.000000 12 H 1.772978 0.000000 13 H 1.773169 1.770177 0.000000 14 O 5.399923 5.284457 5.311520 0.000000 15 C 5.536902 6.194382 6.031314 2.626157 0.000000 16 O 4.335427 4.485821 5.051182 2.493920 2.627312 17 C 6.342382 7.022420 6.562581 3.053197 1.382157 18 C 7.399264 8.246677 7.727109 4.384354 2.372511 19 C 7.748298 8.720263 8.361128 5.175129 2.758273 20 C 7.101198 8.060583 7.948606 4.931827 2.401186 21 C 5.968861 6.782056 6.798468 3.773935 1.378355 22 H 8.139175 8.978010 8.306777 5.021076 3.341437 23 O 8.941154 10.001502 9.591112 6.493428 4.110378 24 O 7.697514 8.716434 8.761994 6.010250 3.572733 25 H 5.684484 6.449403 6.716543 4.059304 2.138207 26 H 6.374262 6.898743 6.299614 2.774539 2.142364 27 C 9.791166 10.845444 10.258183 7.147543 4.985769 28 C 8.909414 10.027688 9.998287 7.324043 4.834438 29 H 10.676516 11.790999 11.219445 8.177546 5.950541 30 H 10.140337 11.050277 10.483075 6.928280 5.053040 31 H 9.440792 10.562987 9.817565 7.156671 5.037005 32 H 9.221640 10.337579 10.447220 7.962362 5.549881 33 H 9.704151 10.737877 10.691437 7.553410 5.166941 34 H 8.902093 10.158334 9.968114 7.696868 5.102653 16 17 18 19 20 16 O 0.000000 17 C 3.886007 0.000000 18 C 4.995990 1.379857 0.000000 19 C 5.181350 2.414862 1.392265 0.000000 20 C 4.309992 2.805228 2.419418 1.403777 0.000000 21 C 2.927235 2.408974 2.759819 2.399695 1.387612 22 H 5.949332 2.116574 1.071023 2.138377 3.390391 23 O 6.485404 3.662714 2.406399 1.352566 2.358793 24 O 4.950881 4.144246 3.700179 2.468955 1.346136 25 H 2.519641 3.381627 3.830669 3.365366 2.118066 26 H 4.231966 1.071917 2.134070 3.386104 3.876988 27 C 7.522592 4.185577 2.805777 2.385942 3.653672 28 C 6.359417 5.167321 4.407332 3.023010 2.448159 29 H 8.423999 5.235352 3.859028 3.243619 4.345023 30 H 7.596820 4.119630 2.807066 2.723729 4.035088 31 H 7.623068 4.113680 2.801810 2.712114 4.018620 32 H 6.714032 6.057763 5.412725 4.046781 3.262053 33 H 6.852923 5.323999 4.422166 3.064868 2.818406 34 H 6.812959 5.282708 4.408421 3.069957 2.791201 21 22 23 24 25 21 C 0.000000 22 H 3.830829 0.000000 23 O 3.620093 2.661332 0.000000 24 O 2.288966 4.593498 2.859021 0.000000 25 H 1.070885 4.901687 4.473376 2.455570 0.000000 26 H 3.381817 2.441657 4.536219 5.215184 4.270826 27 C 4.785248 2.484422 1.398568 4.257515 5.726757 28 C 3.638565 5.096059 2.735608 1.409032 3.858570 29 H 5.596481 3.558080 1.988430 4.672430 6.461180 30 H 5.028074 2.290723 2.059389 4.768239 6.009994 31 H 5.008777 2.300324 2.059072 4.754583 5.986368 32 H 4.246411 6.149858 3.812454 1.979000 4.207408 33 H 4.089287 4.979820 2.501752 2.069234 4.436277 34 H 4.026152 4.983732 2.577486 2.068382 4.357987 26 27 28 29 30 26 H 0.000000 27 C 4.824822 0.000000 28 C 6.226843 4.016006 0.000000 29 H 5.902270 1.079829 4.098963 0.000000 30 H 4.622142 1.084997 4.669192 1.763778 0.000000 31 H 4.628526 1.084915 4.622849 1.764350 1.773644 32 H 7.128128 5.068139 1.080232 5.063589 5.715876 33 H 6.345560 3.634768 1.079574 3.601158 4.141393 34 H 6.308285 3.704641 1.080337 3.703358 4.553022 31 32 33 34 31 H 0.000000 32 H 5.674703 0.000000 33 H 4.443820 1.763997 0.000000 34 H 4.132312 1.764275 1.765358 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.775255 2.088414 -0.317082 2 1 0 4.010132 3.054330 0.099063 3 1 0 3.340833 2.177545 -1.296790 4 1 0 4.662667 1.472422 -0.349539 5 8 0 2.814835 1.509743 0.575644 6 15 0 2.362830 0.019041 0.687209 7 16 0 1.192310 -0.356570 -1.086104 8 8 0 1.643210 -0.288713 1.904233 9 8 0 3.612173 -0.860897 0.339004 10 6 0 4.513828 -1.378897 1.322234 11 1 0 3.971438 -1.991722 2.024909 12 1 0 5.231200 -1.969350 0.777532 13 1 0 5.010359 -0.567340 1.835419 14 8 0 1.609952 0.622339 -2.067674 15 6 0 -0.477697 0.000058 -0.600980 16 8 0 1.308610 -1.758299 -1.388416 17 6 0 -0.860784 1.314685 -0.412942 18 6 0 -2.168986 1.572800 -0.057995 19 6 0 -3.091748 0.541271 0.093207 20 6 0 -2.692549 -0.788648 -0.113059 21 6 0 -1.372087 -1.038965 -0.458294 22 1 0 -2.473606 2.588357 0.093469 23 8 0 -4.382953 0.764889 0.428198 24 8 0 -3.448127 -1.899071 -0.022818 25 1 0 -1.067686 -2.055136 -0.605028 26 1 0 -0.165147 2.118854 -0.548617 27 6 0 -4.834469 2.067154 0.665330 28 6 0 -4.789574 -1.940242 0.406363 29 1 0 -5.878741 1.977183 0.925008 30 1 0 -4.740573 2.686400 -0.220636 31 1 0 -4.300385 2.527073 1.490114 32 1 0 -5.048559 -2.988782 0.386559 33 1 0 -5.441002 -1.395142 -0.259960 34 1 0 -4.899072 -1.560893 1.411963 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6583029 0.1694787 0.1578508 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1925.2696600143 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.75D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999800 -0.019839 0.000077 -0.002530 Ang= -2.29 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.60871946 A.U. after 13 cycles NFock= 13 Conv=0.61D-08 -V/T= 2.0014 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.002940347 -0.002959815 -0.001548613 2 1 -0.000270443 0.000523480 0.000456631 3 1 -0.000532097 0.000654087 0.000624754 4 1 -0.000194200 0.000935321 0.000118717 5 8 -0.002516153 0.003646559 -0.000374171 6 15 0.004472712 -0.003014580 -0.000064248 7 16 -0.001371512 0.003116619 0.004379914 8 8 -0.000122217 -0.000080446 0.000674466 9 8 -0.003692875 0.000660866 0.001758192 10 6 0.002432899 0.002194295 -0.000408204 11 1 -0.000243419 -0.000277462 -0.000215622 12 1 0.000018422 -0.000584224 -0.000101560 13 1 -0.000034448 -0.000186236 -0.000123394 14 8 0.002705039 -0.003568039 -0.005798564 15 6 -0.005331954 -0.002982241 0.008630097 16 8 -0.001629866 0.002035214 -0.005174749 17 6 0.001927514 0.000289637 -0.000155263 18 6 0.000916775 -0.001024268 0.000821210 19 6 0.002633927 0.002372095 -0.002781566 20 6 -0.002966576 -0.002151713 0.001676818 21 6 0.001428100 0.001159817 -0.005138424 22 1 -0.000013054 0.000102126 -0.000013716 23 8 0.000522446 -0.003859136 0.004495594 24 8 0.001015981 0.002408956 -0.001420414 25 1 0.000367364 -0.000171820 0.000748836 26 1 -0.000838721 0.000169803 0.000054550 27 6 -0.001260836 0.001380892 -0.001437337 28 6 0.000261429 -0.000976058 0.000936296 29 1 -0.000192177 -0.000108217 0.000165420 30 1 0.000107511 -0.000335548 -0.000374766 31 1 0.000257912 0.000408214 0.000177657 32 1 0.000028059 0.000148805 -0.000510235 33 1 -0.000267979 0.000154532 0.000179191 34 1 -0.000557910 -0.000081516 -0.000257497 ------------------------------------------------------------------- Cartesian Forces: Max 0.008630097 RMS 0.002117827 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.006817074 RMS 0.001370113 Search for a local minimum. Step number 8 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 7 8 DE= -2.25D-03 DEPred=-1.94D-03 R= 1.16D+00 TightC=F SS= 1.41D+00 RLast= 5.59D-01 DXNew= 1.6959D+00 1.6774D+00 Trust test= 1.16D+00 RLast= 5.59D-01 DXMaxT set to 1.68D+00 ITU= 1 1 1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00517 0.00837 0.01073 0.01143 0.01603 Eigenvalues --- 0.01763 0.01788 0.01865 0.02384 0.02517 Eigenvalues --- 0.02548 0.02673 0.02718 0.02759 0.02859 Eigenvalues --- 0.02945 0.03661 0.04868 0.05055 0.09412 Eigenvalues --- 0.09805 0.09950 0.10266 0.10440 0.10487 Eigenvalues --- 0.10549 0.10663 0.10867 0.10899 0.10948 Eigenvalues --- 0.12000 0.13668 0.15714 0.15884 0.15987 Eigenvalues --- 0.15998 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16008 0.16070 Eigenvalues --- 0.16153 0.16393 0.18108 0.19226 0.20199 Eigenvalues --- 0.21975 0.23002 0.23533 0.23824 0.24682 Eigenvalues --- 0.24924 0.24988 0.25212 0.25319 0.26644 Eigenvalues --- 0.29724 0.33002 0.33451 0.33481 0.33526 Eigenvalues --- 0.33620 0.33698 0.34142 0.34799 0.34828 Eigenvalues --- 0.34830 0.34849 0.34869 0.35184 0.35439 Eigenvalues --- 0.37023 0.38611 0.38940 0.39237 0.39746 Eigenvalues --- 0.40009 0.42073 0.44164 0.44825 0.46700 Eigenvalues --- 0.48082 0.49284 0.52469 0.53823 0.60332 Eigenvalues --- 0.64627 0.72809 0.78665 0.87555 0.90706 Eigenvalues --- 1.29182 RFO step: Lambda=-1.21950107D-03 EMin= 5.16794657D-03 Quartic linear search produced a step of 0.33121. Iteration 1 RMS(Cart)= 0.08154890 RMS(Int)= 0.00229927 Iteration 2 RMS(Cart)= 0.00402647 RMS(Int)= 0.00001832 Iteration 3 RMS(Cart)= 0.00001445 RMS(Int)= 0.00001702 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00001702 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03647 0.00011 -0.00022 0.00054 0.00032 2.03679 R2 2.03222 0.00072 0.00125 0.00128 0.00253 2.03475 R3 2.04230 -0.00068 -0.00038 -0.00222 -0.00261 2.03970 R4 2.70846 -0.00160 0.00142 -0.00147 -0.00005 2.70841 R5 2.95121 0.00150 0.00275 0.00659 0.00935 2.96056 R6 4.07754 -0.00265 -0.00710 -0.01193 -0.01903 4.05851 R7 2.73437 -0.00063 0.00058 -0.00063 -0.00005 2.73432 R8 2.96175 -0.00062 0.00070 -0.00011 0.00059 2.96234 R9 2.73597 -0.00682 0.00229 -0.00739 -0.00510 2.73087 R10 3.35470 -0.00680 0.00738 -0.00631 0.00107 3.35578 R11 2.71869 -0.00446 0.00171 -0.00313 -0.00142 2.71727 R12 2.70439 -0.00129 -0.00081 -0.00270 -0.00351 2.70088 R13 2.03836 0.00007 -0.00035 0.00026 -0.00010 2.03827 R14 2.03526 0.00015 -0.00010 0.00052 0.00042 2.03568 R15 2.04276 0.00011 -0.00023 0.00040 0.00017 2.04293 R16 2.61190 -0.00060 0.00235 0.00022 0.00258 2.61448 R17 2.60471 0.00275 0.00176 0.00447 0.00623 2.61094 R18 2.60755 -0.00005 0.00059 -0.00047 0.00012 2.60768 R19 2.02563 0.00083 -0.00016 0.00140 0.00124 2.02687 R20 2.63100 -0.00051 0.00201 0.00026 0.00227 2.63327 R21 2.02394 0.00007 0.00039 0.00010 0.00050 2.02444 R22 2.65275 -0.00285 -0.00108 0.00000 -0.00108 2.65168 R23 2.55598 -0.00387 0.00163 -0.00439 -0.00276 2.55322 R24 2.62221 -0.00191 0.00029 -0.00254 -0.00226 2.61995 R25 2.54383 0.00048 -0.00184 0.00668 0.00484 2.54867 R26 2.02368 0.00071 -0.00003 0.00088 0.00084 2.02452 R27 2.64291 0.00223 -0.00084 0.00687 0.00603 2.64894 R28 2.66268 -0.00085 0.00095 -0.00024 0.00071 2.66339 R29 2.04058 -0.00027 -0.00089 -0.00033 -0.00123 2.03935 R30 2.05035 -0.00050 -0.00038 -0.00129 -0.00167 2.04868 R31 2.05019 -0.00048 -0.00038 -0.00123 -0.00161 2.04858 R32 2.04134 -0.00008 -0.00056 0.00008 -0.00048 2.04086 R33 2.04010 0.00017 -0.00103 0.00000 -0.00103 2.03907 R34 2.04154 0.00045 -0.00059 0.00101 0.00042 2.04196 A1 1.94502 -0.00101 0.00042 -0.00879 -0.00839 1.93664 A2 1.92144 -0.00022 0.00080 -0.00135 -0.00058 1.92087 A3 1.84150 0.00060 -0.00078 0.00462 0.00382 1.84532 A4 1.93005 -0.00068 0.00212 -0.00403 -0.00192 1.92813 A5 1.90732 0.00063 -0.00295 0.00324 0.00027 1.90760 A6 1.91645 0.00078 0.00023 0.00701 0.00722 1.92367 A7 2.24443 -0.00367 -0.01512 -0.01603 -0.03115 2.21328 A8 1.83844 -0.00244 -0.00954 -0.01349 -0.02299 1.81545 A9 1.99001 0.00087 0.00159 0.00463 0.00630 1.99632 A10 1.86432 0.00054 0.00053 0.00290 0.00337 1.86769 A11 1.96538 0.00038 0.00730 0.00400 0.01132 1.97670 A12 1.72349 0.00006 0.00136 -0.00100 0.00032 1.72381 A13 2.05318 0.00017 -0.00231 0.00057 -0.00182 2.05136 A14 1.85771 -0.00066 -0.00207 -0.00514 -0.00723 1.85049 A15 1.82427 0.00059 0.00333 -0.00277 0.00055 1.82482 A16 1.87386 -0.00017 0.00126 -0.00575 -0.00451 1.86935 A17 1.89738 -0.00067 0.00223 0.00072 0.00295 1.90033 A18 2.08632 0.00252 -0.00536 0.01287 0.00748 2.09380 A19 1.90626 -0.00174 0.00169 -0.00210 -0.00043 1.90582 A20 2.15653 -0.00269 0.00371 -0.00853 -0.00482 2.15171 A21 1.91389 0.00027 0.00092 0.00179 0.00270 1.91659 A22 1.84483 0.00086 -0.00191 0.00588 0.00397 1.84880 A23 1.92178 -0.00001 0.00111 -0.00025 0.00085 1.92264 A24 1.93149 -0.00032 0.00025 -0.00155 -0.00130 1.93019 A25 1.92649 -0.00048 -0.00072 -0.00401 -0.00473 1.92176 A26 1.92382 -0.00028 0.00035 -0.00143 -0.00109 1.92273 A27 2.08173 0.00101 -0.00451 0.00239 -0.00213 2.07960 A28 2.07976 0.00079 0.00370 0.00402 0.00770 2.08746 A29 2.12122 -0.00178 0.00072 -0.00612 -0.00541 2.11581 A30 2.06654 0.00011 -0.00072 0.00197 0.00124 2.06779 A31 2.11352 0.00017 -0.00256 -0.00091 -0.00348 2.11005 A32 2.10306 -0.00028 0.00328 -0.00107 0.00221 2.10528 A33 2.11496 0.00065 -0.00000 0.00257 0.00256 2.11752 A34 2.07533 -0.00029 0.00094 -0.00105 -0.00011 2.07522 A35 2.09285 -0.00035 -0.00095 -0.00152 -0.00246 2.09039 A36 2.09149 -0.00031 -0.00017 -0.00292 -0.00310 2.08839 A37 2.13781 0.00190 -0.00167 0.00279 0.00112 2.13893 A38 2.05386 -0.00159 0.00184 0.00014 0.00198 2.05584 A39 2.06926 0.00077 0.00169 0.00034 0.00202 2.07127 A40 2.22942 -0.00366 0.00078 -0.00441 -0.00363 2.22578 A41 1.98450 0.00289 -0.00248 0.00406 0.00158 1.98608 A42 2.10279 0.00057 -0.00150 0.00424 0.00274 2.10553 A43 2.11375 -0.00051 0.00056 -0.00399 -0.00343 2.11033 A44 2.06663 -0.00006 0.00093 -0.00023 0.00070 2.06733 A45 2.09917 0.00118 0.00089 0.00541 0.00630 2.10547 A46 2.18817 -0.00193 -0.00313 0.00329 0.00016 2.18833 A47 1.84980 0.00001 -0.00255 0.00222 -0.00033 1.84947 A48 1.94448 0.00013 -0.00109 -0.00047 -0.00157 1.94291 A49 1.94411 0.00021 -0.00096 -0.00010 -0.00107 1.94304 A50 1.90457 -0.00006 0.00153 -0.00008 0.00145 1.90602 A51 1.90559 -0.00010 0.00152 -0.00029 0.00123 1.90681 A52 1.91370 -0.00019 0.00156 -0.00117 0.00038 1.91408 A53 1.82454 0.00106 -0.00163 0.00489 0.00326 1.82780 A54 1.95166 -0.00053 0.00039 -0.00197 -0.00158 1.95008 A55 1.94954 -0.00061 -0.00036 -0.00253 -0.00289 1.94665 A56 1.91147 0.00009 0.00045 0.00051 0.00096 1.91243 A57 1.91092 0.00000 0.00032 -0.00046 -0.00014 1.91078 A58 1.91352 0.00004 0.00075 -0.00019 0.00056 1.91408 D1 -2.86385 -0.00023 0.03109 0.01807 0.04915 -2.81470 D2 1.32611 0.00029 0.03260 0.02416 0.05676 1.38286 D3 -0.79373 0.00024 0.03171 0.02266 0.05438 -0.73934 D4 -1.24243 -0.00002 -0.08022 -0.03326 -0.11346 -1.35589 D5 2.87725 0.00071 -0.08359 -0.03149 -0.11509 2.76217 D6 0.57862 -0.00069 -0.08219 -0.03847 -0.12067 0.45795 D7 0.39947 -0.00041 0.02309 0.03028 0.05341 0.45288 D8 -1.60692 0.00036 0.01996 0.03288 0.05290 -1.55403 D9 2.65286 0.00214 0.01596 0.03911 0.05511 2.70797 D10 2.57847 -0.00079 0.02309 0.02914 0.05218 2.63065 D11 0.57208 -0.00002 0.01997 0.03174 0.05166 0.62374 D12 -1.45132 0.00175 0.01596 0.03796 0.05388 -1.39745 D13 -1.52436 -0.00037 0.02459 0.03111 0.05570 -1.46866 D14 2.75244 0.00040 0.02147 0.03371 0.05519 2.80762 D15 0.72903 0.00218 0.01746 0.03993 0.05740 0.78643 D16 1.63639 0.00288 0.03542 0.07542 0.11084 1.74723 D17 -2.74388 0.00042 0.02578 0.06127 0.08707 -2.65682 D18 -0.62666 0.00102 0.03460 0.06578 0.10036 -0.52630 D19 1.27067 0.00057 0.02187 0.02250 0.04436 1.31503 D20 -1.90333 0.00097 0.01807 0.03222 0.05030 -1.85303 D21 -0.70771 0.00133 0.02170 0.02938 0.05106 -0.65664 D22 2.40147 0.00173 0.01791 0.03910 0.05701 2.45849 D23 -3.01179 -0.00010 0.02569 0.01358 0.03926 -2.97253 D24 0.09740 0.00030 0.02190 0.02330 0.04521 0.14260 D25 1.01724 -0.00040 -0.00744 -0.01509 -0.02253 0.99471 D26 3.09979 -0.00015 -0.00775 -0.01264 -0.02039 3.07940 D27 -1.10579 0.00002 -0.00785 -0.01110 -0.01894 -1.12474 D28 3.12277 0.00028 -0.00127 0.00476 0.00349 3.12626 D29 -0.00743 0.00029 -0.00143 0.00646 0.00503 -0.00240 D30 0.01438 -0.00018 0.00258 -0.00540 -0.00281 0.01158 D31 -3.11581 -0.00016 0.00243 -0.00370 -0.00127 -3.11708 D32 -3.11318 -0.00036 0.00009 -0.00716 -0.00705 -3.12023 D33 0.03384 -0.00048 0.00227 -0.01261 -0.01032 0.02352 D34 -0.00476 0.00010 -0.00386 0.00296 -0.00090 -0.00567 D35 -3.14093 -0.00002 -0.00168 -0.00249 -0.00418 3.13808 D36 -0.01362 0.00009 -0.00118 0.00297 0.00179 -0.01184 D37 3.13751 0.00008 0.00060 0.00334 0.00393 3.14144 D38 3.11664 0.00008 -0.00107 0.00128 0.00022 3.11686 D39 -0.01541 0.00006 0.00071 0.00165 0.00236 -0.01305 D40 0.00340 0.00003 0.00104 0.00176 0.00279 0.00619 D41 -3.13076 -0.00005 0.00271 -0.00085 0.00186 -3.12890 D42 3.13535 0.00005 -0.00075 0.00139 0.00064 3.13599 D43 0.00120 -0.00003 0.00092 -0.00122 -0.00030 0.00090 D44 0.00638 -0.00010 -0.00218 -0.00421 -0.00639 -0.00001 D45 -3.13025 -0.00004 -0.00058 0.00047 -0.00010 -3.13035 D46 3.14088 -0.00001 -0.00377 -0.00171 -0.00549 3.13539 D47 0.00426 0.00005 -0.00217 0.00297 0.00079 0.00504 D48 -0.02355 -0.00004 -0.00250 -0.00136 -0.00386 -0.02741 D49 3.12533 -0.00013 -0.00086 -0.00390 -0.00476 3.12057 D50 -0.00573 0.00003 0.00357 0.00191 0.00549 -0.00024 D51 3.13058 0.00015 0.00145 0.00721 0.00867 3.13925 D52 3.13157 -0.00004 0.00219 -0.00215 0.00003 3.13161 D53 -0.01530 0.00008 0.00007 0.00314 0.00321 -0.01209 D54 -0.09227 -0.00038 -0.01408 -0.04166 -0.05574 -0.14802 D55 3.05408 -0.00032 -0.01255 -0.03717 -0.04972 3.00436 D56 -3.12733 -0.00001 0.00182 -0.00038 0.00144 -3.12589 D57 1.08624 -0.00001 0.00212 -0.00137 0.00075 1.08699 D58 -1.05670 -0.00000 0.00158 0.00056 0.00214 -1.05456 D59 -3.10340 0.00027 0.00636 0.02265 0.02901 -3.07439 D60 1.11327 -0.00020 0.00659 0.02014 0.02674 1.14001 D61 -1.03863 0.00059 0.00559 0.02371 0.02929 -1.00934 Item Value Threshold Converged? Maximum Force 0.006817 0.000450 NO RMS Force 0.001370 0.000300 NO Maximum Displacement 0.286810 0.001800 NO RMS Displacement 0.083446 0.001200 NO Predicted change in Energy=-8.745602D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.716152 -0.358687 -0.223098 2 1 0 -0.241556 -0.248748 -0.705193 3 1 0 0.946178 0.504555 0.377963 4 1 0 0.725905 -1.252967 0.381211 5 8 0 1.674635 -0.466752 -1.283184 6 15 0 3.129548 -1.038337 -1.178591 7 16 0 4.249299 0.552529 -0.268764 8 8 0 3.688358 -1.483302 -2.436912 9 8 0 3.139269 -2.051717 0.017377 10 6 0 3.058103 -3.468302 -0.154206 11 1 0 3.861386 -3.806193 -0.789777 12 1 0 3.151737 -3.891400 0.832030 13 1 0 2.104223 -3.737234 -0.586067 14 8 0 3.296615 1.324022 0.496448 15 6 0 4.819502 1.534468 -1.634097 16 8 0 5.379773 -0.047194 0.386950 17 6 0 3.926000 2.365499 -2.286151 18 6 0 4.388210 3.136051 -3.333432 19 6 0 5.724688 3.098135 -3.726035 20 6 0 6.622651 2.256355 -3.052194 21 6 0 6.149101 1.479889 -2.005772 22 1 0 3.702164 3.781874 -3.843243 23 8 0 6.206758 3.852326 -4.738106 24 8 0 7.941625 2.104191 -3.289135 25 1 0 6.837340 0.836890 -1.495252 26 1 0 2.899871 2.420306 -1.978799 27 6 0 5.357370 4.695343 -5.468033 28 6 0 8.642261 2.648968 -4.384010 29 1 0 5.976921 5.165305 -6.216312 30 1 0 4.921209 5.459595 -4.834799 31 1 0 4.569769 4.133707 -5.957363 32 1 0 9.647471 2.266939 -4.284210 33 1 0 8.660332 3.727315 -4.350178 34 1 0 8.224131 2.321573 -5.325067 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077824 0.000000 3 H 1.076741 1.775219 0.000000 4 H 1.079361 1.767685 1.771275 0.000000 5 O 1.433231 2.013302 2.057546 2.070853 0.000000 6 P 2.683165 3.494552 3.093618 2.873421 1.566659 7 S 3.649045 4.582608 3.366180 4.012056 2.949047 8 O 3.872951 4.468467 4.403935 4.095241 2.533682 9 O 2.965751 3.899074 3.387358 2.568015 2.519668 10 C 3.893480 4.642937 4.530675 3.260909 3.492546 11 H 4.700949 5.431087 5.333348 4.209682 4.022088 12 H 4.418759 5.210221 4.939138 3.612371 4.287677 13 H 3.670568 4.205521 4.501465 3.001161 3.371434 14 O 3.163549 4.054158 2.492011 3.641799 3.000797 15 C 4.734178 5.445827 4.484612 5.346850 3.744091 16 O 4.713656 5.729986 4.467803 4.807537 4.085759 17 C 4.688337 5.167421 4.409076 5.518036 3.754495 18 C 5.947385 6.308664 5.704981 6.817223 4.954513 19 C 7.021796 7.478180 6.812019 7.796755 5.922742 20 C 7.051877 7.674717 6.859819 7.673019 5.918410 21 C 6.006266 6.746865 5.805504 6.525124 4.932788 22 H 6.258272 6.453387 6.012891 7.214829 5.358695 23 O 8.262245 8.640831 8.065695 9.072551 7.150600 24 O 8.226410 8.898176 8.058704 8.764050 7.064613 25 H 6.365275 7.205107 6.190732 6.725939 5.328976 26 H 3.946380 4.314450 3.611280 4.877367 3.212505 27 C 8.636752 8.858705 8.437831 9.541830 7.597548 28 C 9.443643 10.042542 9.300784 10.030011 8.238364 29 H 9.700969 9.917351 9.513960 10.596919 8.635131 30 H 8.532450 8.734584 8.217431 9.479759 7.633859 31 H 8.240981 8.363017 8.150921 9.163464 7.168959 32 H 10.156526 10.813459 10.027679 10.665375 8.946806 33 H 9.840641 10.408583 9.604669 10.494969 8.706125 34 H 9.464863 9.980863 9.423094 10.077814 8.185809 6 7 8 9 10 6 P 0.000000 7 S 2.147669 0.000000 8 O 1.446940 3.026570 0.000000 9 O 1.567601 2.845372 2.578396 0.000000 10 C 2.638030 4.195135 3.090015 1.429245 0.000000 11 H 2.889254 4.406857 2.852860 2.061828 1.078604 12 H 3.490424 4.707961 4.095470 2.012026 1.077237 13 H 2.947273 4.806672 3.318933 2.067953 1.081071 14 O 2.900760 1.445115 4.079109 3.413192 4.842169 15 C 3.111713 1.775801 3.321286 4.290837 5.506389 16 O 2.914927 1.437915 3.591307 3.028953 4.169770 17 C 3.667032 2.731525 3.859076 5.043509 6.271496 18 C 4.863444 4.010744 4.757306 6.300850 7.449439 19 C 5.507687 4.539780 5.176682 6.871572 7.936418 20 C 5.154333 4.035258 4.793087 6.333696 7.340030 21 C 4.017884 2.736136 3.875776 5.062061 6.121042 22 H 5.537391 4.848188 5.449774 7.017979 8.160200 23 O 6.786602 5.890274 6.332990 8.178132 9.193355 24 O 6.122578 5.016330 5.629091 7.160113 8.045448 25 H 4.167070 2.878035 4.023195 4.930297 5.883512 26 H 3.557428 2.869454 4.008707 4.903164 6.166837 27 C 7.499173 6.739668 7.081593 8.973992 10.008421 28 C 7.366202 6.374042 6.738546 8.470630 9.300272 29 H 8.483592 7.722415 7.982816 9.949701 10.945675 30 H 7.668182 6.736425 7.448060 9.118044 10.251168 31 H 7.187554 6.729613 6.687395 8.717988 9.682577 32 H 7.940595 6.942857 7.279275 8.916902 9.662799 33 H 7.959898 6.796647 7.451955 9.107957 10.038329 34 H 7.378146 6.670457 6.587241 8.574567 9.324607 11 12 13 14 15 11 H 0.000000 12 H 1.772321 0.000000 13 H 1.770276 1.769761 0.000000 14 O 5.319064 5.228214 5.311303 0.000000 15 C 5.491222 6.188963 6.021790 2.627298 0.000000 16 O 4.221404 4.465440 5.029153 2.496351 2.626821 17 C 6.350833 7.033585 6.591851 3.037048 1.383522 18 C 7.412319 8.262264 7.746396 4.375273 2.374620 19 C 7.730669 8.732103 8.348019 5.183857 2.764167 20 C 7.035453 8.057874 7.900701 4.952234 2.404884 21 C 5.886845 6.774072 6.752404 3.797641 1.381649 22 H 8.180939 9.002238 8.348628 5.003841 3.343592 23 O 8.929893 10.016230 9.574531 6.500909 4.114829 24 O 7.604457 8.710576 8.689308 6.042799 3.579300 25 H 5.559875 6.430913 6.644669 4.091564 2.139524 26 H 6.411518 6.913886 6.363022 2.736072 2.142081 27 C 9.818358 10.876018 10.272532 7.154548 4.997950 28 C 8.800248 10.006465 9.897165 7.358688 4.839175 29 H 10.696286 11.818828 11.222862 8.185392 5.959806 30 H 10.165640 11.076330 10.515169 6.940062 5.065714 31 H 9.499882 10.607026 9.842837 7.153106 5.050647 32 H 9.086955 10.309976 10.326032 8.004821 5.555978 33 H 9.615616 10.735209 10.624056 7.618075 5.190149 34 H 8.783616 10.111382 9.829574 7.691915 5.082744 16 17 18 19 20 16 O 0.000000 17 C 3.883299 0.000000 18 C 4.995747 1.379923 0.000000 19 C 5.189287 2.417705 1.393466 0.000000 20 C 4.321898 2.805469 2.417785 1.403208 0.000000 21 C 2.940913 2.409376 2.757950 2.399614 1.386416 22 H 5.947324 2.116780 1.071286 2.138186 3.388541 23 O 6.492793 3.663959 2.406923 1.351105 2.358472 24 O 4.970427 4.147228 3.700467 2.468526 1.348699 25 H 2.539447 3.382021 3.829267 3.365652 2.117792 26 H 4.223178 1.072572 2.135996 3.389967 3.877905 27 C 7.534785 4.195399 2.815526 2.391768 3.658671 28 C 6.377710 5.169573 4.408845 3.024387 2.450858 29 H 8.433848 5.243220 3.866894 3.246274 4.346331 30 H 7.602741 4.130312 2.817276 2.729730 4.041451 31 H 7.641096 4.125384 2.813058 2.717549 4.022285 32 H 6.737076 6.061121 5.414717 4.048540 3.266116 33 H 6.888350 5.341222 4.431071 3.066501 2.828538 34 H 6.806509 5.264111 4.398212 3.067111 2.781176 21 22 23 24 25 21 C 0.000000 22 H 3.829221 0.000000 23 O 3.619038 2.660589 0.000000 24 O 2.291269 4.592895 2.857492 0.000000 25 H 1.071331 4.900543 4.472873 2.458355 0.000000 26 H 3.382692 2.444115 4.538719 5.218831 4.271380 27 C 4.790953 2.492805 1.401760 4.259113 5.732448 28 C 3.638490 5.097103 2.739549 1.409406 3.858276 29 H 5.598266 3.566491 1.990435 4.668924 6.462500 30 H 5.034796 2.298695 2.060412 4.771868 6.016106 31 H 5.015188 2.312148 2.060460 4.754766 5.993439 32 H 4.248449 6.151110 3.815492 1.981558 4.209532 33 H 4.105294 4.984314 2.487195 2.068063 4.452916 34 H 4.003985 4.977596 2.599523 2.066903 4.335315 26 27 28 29 30 26 H 0.000000 27 C 4.836306 0.000000 28 C 6.229958 4.019112 0.000000 29 H 5.912680 1.079180 4.097965 0.000000 30 H 4.634633 1.084114 4.684982 1.763438 0.000000 31 H 4.642551 1.084064 4.611407 1.763895 1.772467 32 H 7.132219 5.069867 1.079979 5.060285 5.730074 33 H 6.365110 3.618872 1.079029 3.570849 4.149300 34 H 6.289277 3.724720 1.080559 3.732436 4.582230 31 32 33 34 31 H 0.000000 32 H 5.662802 0.000000 33 H 4.413718 1.763943 0.000000 34 H 4.127710 1.764162 1.765443 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.738353 2.132508 -0.124668 2 1 0 3.928975 3.083490 0.345439 3 1 0 3.379528 2.265402 -1.131125 4 1 0 4.634469 1.530867 -0.119693 5 8 0 2.717544 1.507195 0.663421 6 15 0 2.351587 -0.015924 0.688042 7 16 0 1.205800 -0.304697 -1.105352 8 8 0 1.658782 -0.444496 1.883860 9 8 0 3.642409 -0.804427 0.276440 10 6 0 4.507933 -1.439423 1.220044 11 1 0 3.947775 -2.145730 1.812277 12 1 0 5.259775 -1.945423 0.637690 13 1 0 4.967807 -0.699667 1.860350 14 8 0 1.637171 0.723800 -2.024304 15 6 0 -0.470940 0.023577 -0.621361 16 8 0 1.330429 -1.690447 -1.468344 17 6 0 -0.871579 1.333145 -0.424763 18 6 0 -2.182416 1.573456 -0.066791 19 6 0 -3.095301 0.531309 0.082598 20 6 0 -2.678450 -0.792147 -0.126424 21 6 0 -1.358097 -1.025981 -0.478756 22 1 0 -2.499944 2.584932 0.087305 23 8 0 -4.387464 0.739241 0.418103 24 8 0 -3.424508 -1.912203 -0.037771 25 1 0 -1.043201 -2.037948 -0.635327 26 1 0 -0.184070 2.145436 -0.558657 27 6 0 -4.861648 2.035004 0.665241 28 6 0 -4.744898 -1.976692 0.450940 29 1 0 -5.903502 1.925458 0.924411 30 1 0 -4.777257 2.660427 -0.216250 31 1 0 -4.334252 2.496823 1.492146 32 1 0 -4.991254 -3.028121 0.438264 33 1 0 -5.431998 -1.436747 -0.182035 34 1 0 -4.812083 -1.603029 1.462607 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6568592 0.1702935 0.1582640 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1926.9169101310 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.76D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999831 -0.018169 0.000835 -0.002592 Ang= -2.11 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.60990434 A.U. after 13 cycles NFock= 13 Conv=0.62D-08 -V/T= 2.0014 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.001192166 0.000565708 -0.001562544 2 1 -0.000178582 0.000186764 -0.000018848 3 1 -0.000030248 0.000000879 0.000238330 4 1 0.000010796 0.000261713 0.000016175 5 8 -0.000558637 -0.000993407 0.001630029 6 15 0.001500781 -0.001200121 -0.001404587 7 16 0.001035904 0.002590758 0.000939058 8 8 0.000038378 -0.000001405 0.000853255 9 8 -0.004210117 0.000921206 0.000505759 10 6 0.002205020 -0.000021894 -0.000610413 11 1 -0.000023227 -0.000061314 -0.000093310 12 1 0.000078219 -0.000097464 -0.000007335 13 1 -0.000082841 0.000000996 0.000098584 14 8 0.002285847 -0.001295825 -0.003550369 15 6 -0.003993386 -0.001058700 0.007005803 16 8 -0.000377519 0.002111866 -0.003765655 17 6 0.001960631 -0.000759644 0.000834884 18 6 0.001594619 -0.000324573 -0.000210814 19 6 -0.000174638 0.002148451 -0.002110721 20 6 -0.000210262 -0.002156513 0.000583952 21 6 -0.000781090 -0.000037427 -0.002797152 22 1 -0.000051946 0.000035699 0.000013966 23 8 0.000535814 -0.002582953 0.002965708 24 8 0.000047950 0.002584059 -0.000175656 25 1 0.000352643 -0.000123678 0.000309090 26 1 -0.000272246 0.000363156 -0.000300326 27 6 -0.000398128 -0.000379615 0.000538808 28 6 -0.001067481 -0.001111002 0.000918034 29 1 0.000130880 -0.000021927 -0.000002457 30 1 -0.000075296 0.000063473 -0.000099487 31 1 -0.000082396 0.000075003 -0.000050290 32 1 0.000044052 -0.000120004 -0.000217188 33 1 -0.000042756 0.000376837 0.000008420 34 1 -0.000402902 0.000060898 -0.000482704 ------------------------------------------------------------------- Cartesian Forces: Max 0.007005803 RMS 0.001434169 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.007743918 RMS 0.001140792 Search for a local minimum. Step number 9 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 8 9 DE= -1.18D-03 DEPred=-8.75D-04 R= 1.35D+00 TightC=F SS= 1.41D+00 RLast= 3.64D-01 DXNew= 2.8210D+00 1.0911D+00 Trust test= 1.35D+00 RLast= 3.64D-01 DXMaxT set to 1.68D+00 ITU= 1 1 1 1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00314 0.00836 0.01097 0.01167 0.01605 Eigenvalues --- 0.01761 0.01784 0.01841 0.02382 0.02424 Eigenvalues --- 0.02548 0.02600 0.02677 0.02720 0.02777 Eigenvalues --- 0.02869 0.03631 0.04750 0.05055 0.09429 Eigenvalues --- 0.09822 0.09975 0.10302 0.10446 0.10489 Eigenvalues --- 0.10529 0.10653 0.10866 0.10878 0.10951 Eigenvalues --- 0.11762 0.13704 0.15737 0.15910 0.15998 Eigenvalues --- 0.15999 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16004 0.16023 0.16065 Eigenvalues --- 0.16102 0.16573 0.18091 0.19219 0.20372 Eigenvalues --- 0.21919 0.23143 0.23574 0.24110 0.24887 Eigenvalues --- 0.24944 0.25004 0.25193 0.26372 0.26832 Eigenvalues --- 0.31645 0.32850 0.33453 0.33482 0.33530 Eigenvalues --- 0.33611 0.33705 0.34250 0.34797 0.34815 Eigenvalues --- 0.34832 0.34849 0.34867 0.35055 0.36320 Eigenvalues --- 0.37229 0.38611 0.38969 0.39250 0.39711 Eigenvalues --- 0.40022 0.42240 0.43977 0.44823 0.46800 Eigenvalues --- 0.48100 0.49303 0.52470 0.53424 0.60443 Eigenvalues --- 0.67249 0.71598 0.75123 0.83324 0.87594 Eigenvalues --- 1.29150 RFO step: Lambda=-1.52198373D-03 EMin= 3.14080968D-03 Quartic linear search produced a step of 0.98450. Iteration 1 RMS(Cart)= 0.16733550 RMS(Int)= 0.00804767 Iteration 2 RMS(Cart)= 0.01319490 RMS(Int)= 0.00007995 Iteration 3 RMS(Cart)= 0.00017876 RMS(Int)= 0.00002838 Iteration 4 RMS(Cart)= 0.00000003 RMS(Int)= 0.00002838 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03679 0.00019 0.00032 0.00089 0.00121 2.03800 R2 2.03475 0.00013 0.00249 0.00109 0.00358 2.03833 R3 2.03970 -0.00021 -0.00257 -0.00088 -0.00345 2.03625 R4 2.70841 -0.00157 -0.00005 -0.00434 -0.00439 2.70403 R5 2.96056 -0.00042 0.00920 0.00265 0.01185 2.97241 R6 4.05851 0.00051 -0.01873 -0.00385 -0.02258 4.03593 R7 2.73432 -0.00073 -0.00005 -0.00079 -0.00084 2.73348 R8 2.96234 -0.00057 0.00058 0.00038 0.00096 2.96329 R9 2.73087 -0.00408 -0.00502 -0.00521 -0.01024 2.72064 R10 3.35578 -0.00774 0.00106 -0.01174 -0.01069 3.34509 R11 2.71727 -0.00289 -0.00140 -0.00273 -0.00413 2.71313 R12 2.70088 0.00013 -0.00345 -0.00003 -0.00348 2.69740 R13 2.03827 0.00006 -0.00009 0.00001 -0.00009 2.03818 R14 2.03568 0.00004 0.00042 0.00006 0.00048 2.03616 R15 2.04293 0.00003 0.00016 0.00001 0.00018 2.04310 R16 2.61448 -0.00145 0.00254 -0.00137 0.00118 2.61566 R17 2.61094 0.00005 0.00613 0.00211 0.00826 2.61920 R18 2.60768 -0.00020 0.00012 -0.00006 0.00006 2.60774 R19 2.02687 0.00019 0.00122 0.00019 0.00141 2.02828 R20 2.63327 -0.00187 0.00223 -0.00453 -0.00231 2.63096 R21 2.02444 0.00005 0.00049 0.00095 0.00144 2.02588 R22 2.65168 -0.00217 -0.00106 -0.00230 -0.00338 2.64830 R23 2.55322 -0.00406 -0.00272 -0.00680 -0.00951 2.54371 R24 2.61995 -0.00187 -0.00222 -0.00556 -0.00779 2.61216 R25 2.54867 -0.00160 0.00477 -0.00536 -0.00059 2.54808 R26 2.02452 0.00045 0.00083 0.00088 0.00171 2.02624 R27 2.64894 -0.00010 0.00594 -0.00272 0.00321 2.65216 R28 2.66339 -0.00121 0.00070 -0.00321 -0.00252 2.66088 R29 2.03935 0.00007 -0.00121 -0.00027 -0.00148 2.03788 R30 2.04868 0.00002 -0.00164 -0.00005 -0.00169 2.04699 R31 2.04858 0.00004 -0.00158 0.00009 -0.00149 2.04709 R32 2.04086 0.00006 -0.00047 -0.00009 -0.00056 2.04031 R33 2.03907 0.00038 -0.00101 0.00043 -0.00059 2.03848 R34 2.04196 0.00056 0.00041 0.00151 0.00192 2.04388 A1 1.93664 -0.00013 -0.00826 -0.00104 -0.00930 1.92733 A2 1.92087 0.00005 -0.00057 0.00140 0.00077 1.92164 A3 1.84532 0.00011 0.00376 0.00056 0.00428 1.84960 A4 1.92813 -0.00025 -0.00189 -0.00105 -0.00296 1.92517 A5 1.90760 0.00015 0.00027 -0.00175 -0.00149 1.90610 A6 1.92367 0.00010 0.00711 0.00196 0.00903 1.93270 A7 2.21328 0.00158 -0.03066 0.00658 -0.02408 2.18920 A8 1.81545 -0.00028 -0.02263 -0.00167 -0.02425 1.79120 A9 1.99632 0.00037 0.00621 0.00218 0.00847 2.00479 A10 1.86769 -0.00009 0.00331 -0.00117 0.00211 1.86979 A11 1.97670 -0.00056 0.01114 0.00035 0.01152 1.98822 A12 1.72381 0.00059 0.00031 0.00536 0.00564 1.72945 A13 2.05136 -0.00005 -0.00179 -0.00451 -0.00639 2.04497 A14 1.85049 0.00069 -0.00711 0.00577 -0.00135 1.84914 A15 1.82482 0.00068 0.00054 0.00093 0.00147 1.82628 A16 1.86935 0.00029 -0.00444 -0.00227 -0.00673 1.86262 A17 1.90033 -0.00137 0.00290 -0.00551 -0.00261 1.89772 A18 2.09380 0.00157 0.00737 0.00812 0.01548 2.10928 A19 1.90582 -0.00178 -0.00043 -0.00724 -0.00768 1.89814 A20 2.15171 -0.00142 -0.00475 -0.00634 -0.01109 2.14062 A21 1.91659 0.00008 0.00266 0.00239 0.00504 1.92162 A22 1.84880 0.00012 0.00391 -0.00219 0.00170 1.85050 A23 1.92264 -0.00007 0.00084 0.00099 0.00182 1.92446 A24 1.93019 -0.00006 -0.00128 -0.00052 -0.00181 1.92837 A25 1.92176 -0.00001 -0.00466 -0.00011 -0.00478 1.91698 A26 1.92273 -0.00006 -0.00107 -0.00059 -0.00167 1.92107 A27 2.07960 0.00139 -0.00210 0.00516 0.00297 2.08257 A28 2.08746 -0.00097 0.00758 -0.00154 0.00595 2.09341 A29 2.11581 -0.00041 -0.00533 -0.00325 -0.00862 2.10720 A30 2.06779 -0.00003 0.00123 0.00237 0.00361 2.07140 A31 2.11005 0.00053 -0.00342 0.00156 -0.00187 2.10817 A32 2.10528 -0.00050 0.00218 -0.00393 -0.00176 2.10352 A33 2.11752 -0.00016 0.00252 -0.00144 0.00107 2.11859 A34 2.07522 0.00004 -0.00011 0.00169 0.00158 2.07680 A35 2.09039 0.00012 -0.00242 -0.00027 -0.00270 2.08769 A36 2.08839 0.00032 -0.00305 0.00029 -0.00279 2.08560 A37 2.13893 0.00141 0.00111 0.00081 0.00192 2.14086 A38 2.05584 -0.00173 0.00195 -0.00112 0.00084 2.05669 A39 2.07127 0.00033 0.00199 0.00186 0.00382 2.07510 A40 2.22578 -0.00297 -0.00358 -0.00733 -0.01093 2.21486 A41 1.98608 0.00264 0.00155 0.00543 0.00697 1.99304 A42 2.10553 -0.00006 0.00270 0.00020 0.00291 2.10844 A43 2.11033 0.00007 -0.00338 -0.00032 -0.00371 2.10661 A44 2.06733 -0.00001 0.00069 0.00012 0.00080 2.06812 A45 2.10547 -0.00118 0.00620 -0.00928 -0.00309 2.10238 A46 2.18833 -0.00276 0.00016 -0.00814 -0.00798 2.18034 A47 1.84947 -0.00025 -0.00033 -0.00480 -0.00513 1.84435 A48 1.94291 0.00021 -0.00154 -0.00062 -0.00217 1.94074 A49 1.94304 0.00017 -0.00105 -0.00126 -0.00232 1.94072 A50 1.90602 -0.00002 0.00143 0.00236 0.00378 1.90980 A51 1.90681 -0.00000 0.00121 0.00263 0.00383 1.91064 A52 1.91408 -0.00011 0.00038 0.00165 0.00203 1.91611 A53 1.82780 0.00031 0.00321 -0.00352 -0.00031 1.82748 A54 1.95008 -0.00010 -0.00155 0.00246 0.00091 1.95099 A55 1.94665 -0.00010 -0.00285 0.00222 -0.00063 1.94603 A56 1.91243 0.00008 0.00094 0.00029 0.00124 1.91367 A57 1.91078 -0.00001 -0.00014 -0.00096 -0.00110 1.90967 A58 1.91408 -0.00015 0.00055 -0.00066 -0.00011 1.91397 D1 -2.81470 -0.00017 0.04838 0.00557 0.05391 -2.76079 D2 1.38286 -0.00015 0.05588 0.00739 0.06328 1.44614 D3 -0.73934 -0.00000 0.05354 0.00858 0.06216 -0.67718 D4 -1.35589 0.00025 -0.11170 -0.00807 -0.11977 -1.47566 D5 2.76217 0.00092 -0.11330 -0.00863 -0.12193 2.64024 D6 0.45795 0.00076 -0.11880 -0.00320 -0.12202 0.33593 D7 0.45288 -0.00051 0.05258 0.04379 0.09641 0.54929 D8 -1.55403 0.00044 0.05208 0.04714 0.09926 -1.45476 D9 2.70797 0.00202 0.05426 0.05591 0.11020 2.81817 D10 2.63065 -0.00057 0.05137 0.04555 0.09686 2.72751 D11 0.62374 0.00038 0.05086 0.04890 0.09972 0.72346 D12 -1.39745 0.00195 0.05304 0.05766 0.11065 -1.28680 D13 -1.46866 -0.00053 0.05483 0.04374 0.09859 -1.37007 D14 2.80762 0.00042 0.05433 0.04709 0.10144 2.90906 D15 0.78643 0.00200 0.05651 0.05585 0.11238 0.89881 D16 1.74723 0.00168 0.10912 0.09869 0.20781 1.95505 D17 -2.65682 0.00158 0.08572 0.09857 0.18431 -2.47251 D18 -0.52630 0.00129 0.09880 0.10052 0.19930 -0.32700 D19 1.31503 0.00071 0.04367 0.02928 0.07289 1.38791 D20 -1.85303 0.00115 0.04952 0.04515 0.09472 -1.75830 D21 -0.65664 0.00019 0.05027 0.02461 0.07483 -0.58182 D22 2.45849 0.00063 0.05613 0.04048 0.09667 2.55515 D23 -2.97253 0.00060 0.03865 0.02394 0.06253 -2.90999 D24 0.14260 0.00104 0.04451 0.03981 0.08437 0.22698 D25 0.99471 -0.00020 -0.02218 -0.01803 -0.04022 0.95449 D26 3.07940 -0.00016 -0.02007 -0.01864 -0.03870 3.04070 D27 -1.12474 -0.00020 -0.01865 -0.02009 -0.03873 -1.16347 D28 3.12626 0.00030 0.00344 0.01129 0.01466 3.14092 D29 -0.00240 0.00030 0.00495 0.01143 0.01632 0.01392 D30 0.01158 -0.00014 -0.00276 -0.00488 -0.00759 0.00399 D31 -3.11708 -0.00014 -0.00125 -0.00473 -0.00593 -3.12301 D32 -3.12023 -0.00034 -0.00694 -0.01213 -0.01905 -3.13929 D33 0.02352 -0.00041 -0.01016 -0.01438 -0.02452 -0.00100 D34 -0.00567 0.00013 -0.00089 0.00421 0.00328 -0.00238 D35 3.13808 0.00007 -0.00411 0.00196 -0.00218 3.13590 D36 -0.01184 0.00006 0.00176 0.00173 0.00349 -0.00835 D37 3.14144 0.00005 0.00387 0.00356 0.00743 -3.13431 D38 3.11686 0.00007 0.00021 0.00163 0.00183 3.11869 D39 -0.01305 0.00006 0.00233 0.00346 0.00578 -0.00727 D40 0.00619 0.00002 0.00275 0.00204 0.00478 0.01097 D41 -3.12890 0.00004 0.00183 0.00651 0.00833 -3.12057 D42 3.13599 0.00003 0.00063 0.00021 0.00084 3.13683 D43 0.00090 0.00005 -0.00029 0.00468 0.00438 0.00529 D44 -0.00001 -0.00003 -0.00629 -0.00276 -0.00903 -0.00904 D45 -3.13035 0.00000 -0.00010 0.00183 0.00169 -3.12867 D46 3.13539 -0.00004 -0.00541 -0.00701 -0.01240 3.12299 D47 0.00504 -0.00000 0.00078 -0.00243 -0.00169 0.00336 D48 -0.02741 -0.00005 -0.00380 -0.00431 -0.00811 -0.03551 D49 3.12057 -0.00004 -0.00469 0.00008 -0.00460 3.11597 D50 -0.00024 -0.00005 0.00541 -0.00030 0.00513 0.00489 D51 3.13925 0.00002 0.00854 0.00190 0.01047 -3.13347 D52 3.13161 -0.00011 0.00003 -0.00435 -0.00438 3.12722 D53 -0.01209 -0.00005 0.00316 -0.00215 0.00096 -0.01113 D54 -0.14802 -0.00063 -0.05488 -0.09315 -0.14801 -0.29603 D55 3.00436 -0.00059 -0.04895 -0.08874 -0.13771 2.86665 D56 -3.12589 0.00000 0.00142 0.00197 0.00339 -3.12250 D57 1.08699 0.00007 0.00073 0.00235 0.00309 1.09008 D58 -1.05456 -0.00006 0.00211 0.00157 0.00367 -1.05089 D59 -3.07439 0.00033 0.02856 0.03974 0.06831 -3.00609 D60 1.14001 0.00010 0.02632 0.04022 0.06655 1.20655 D61 -1.00934 0.00045 0.02884 0.03765 0.06649 -0.94285 Item Value Threshold Converged? Maximum Force 0.007744 0.000450 NO RMS Force 0.001141 0.000300 NO Maximum Displacement 0.647638 0.001800 NO RMS Displacement 0.172260 0.001200 NO Predicted change in Energy=-1.285874D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.693669 -0.373160 -0.472045 2 1 0 -0.211233 -0.260821 -1.047908 3 1 0 0.834747 0.476639 0.177102 4 1 0 0.654854 -1.282230 0.105167 5 8 0 1.761963 -0.421918 -1.422767 6 15 0 3.183607 -1.044043 -1.165860 7 16 0 4.234801 0.563337 -0.231719 8 8 0 3.840041 -1.568135 -2.343470 9 8 0 3.051861 -2.003705 0.067289 10 6 0 3.178838 -3.421165 -0.043016 11 1 0 4.116573 -3.673932 -0.512109 12 1 0 3.146366 -3.802022 0.964395 13 1 0 2.359126 -3.826799 -0.619600 14 8 0 3.246979 1.305436 0.507354 15 6 0 4.809088 1.562850 -1.575066 16 8 0 5.369368 -0.015088 0.431228 17 6 0 3.932525 2.439409 -2.190816 18 6 0 4.394417 3.212826 -3.236168 19 6 0 5.715280 3.132818 -3.668909 20 6 0 6.594222 2.239992 -3.040971 21 6 0 6.126198 1.466036 -1.995656 22 1 0 3.721544 3.898304 -3.712246 23 8 0 6.199034 3.891764 -4.669854 24 8 0 7.898280 2.051482 -3.327393 25 1 0 6.806138 0.790585 -1.514882 26 1 0 2.916954 2.527412 -1.854835 27 6 0 5.359632 4.782104 -5.357168 28 6 0 8.530349 2.464012 -4.516083 29 1 0 5.978809 5.244387 -6.109403 30 1 0 4.969637 5.544164 -4.693445 31 1 0 4.540805 4.258335 -5.835364 32 1 0 9.518585 2.032136 -4.465179 33 1 0 8.606745 3.538306 -4.576822 34 1 0 8.017197 2.085683 -5.389782 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.078464 0.000000 3 H 1.078635 1.771601 0.000000 4 H 1.077538 1.767191 1.769508 0.000000 5 O 1.430910 2.014937 2.055898 2.073742 0.000000 6 P 2.670441 3.486014 3.103734 2.840217 1.572932 7 S 3.670750 4.594847 3.425642 4.041736 2.916206 8 O 3.850955 4.449761 4.423367 4.027776 2.545568 9 O 2.917298 3.863818 3.328628 2.503518 2.527084 10 C 3.956067 4.742380 4.553690 3.311721 3.592594 11 H 4.755310 5.537717 5.335976 4.252619 4.116926 12 H 4.453782 5.278536 4.926495 3.646266 4.363510 13 H 3.837075 4.416605 4.634442 3.147168 3.548929 14 O 3.208785 4.102588 2.571932 3.684682 2.985699 15 C 4.679901 5.367243 4.477202 5.308043 3.639708 16 O 4.775592 5.778523 4.568278 4.892709 4.076295 17 C 4.621137 5.076239 4.365287 5.464911 3.672660 18 C 5.847667 6.169823 5.639892 6.734566 4.840414 19 C 6.908575 7.315052 6.757713 7.703519 5.771483 20 C 6.945824 7.519346 6.829125 7.588169 5.749354 21 C 5.934341 6.636512 5.805105 6.473177 4.789481 22 H 6.157299 6.313774 5.930296 7.128475 5.267446 23 O 8.131435 8.453045 7.995726 8.961527 6.988493 24 O 8.120242 8.735388 8.040841 8.681205 6.884744 25 H 6.309048 7.111048 6.214409 6.690247 5.188675 26 H 3.907483 4.267426 3.559497 4.844798 3.196754 27 C 8.497787 8.662294 8.345044 9.420625 7.450140 28 C 9.263765 9.791231 9.230272 9.869837 7.981744 29 H 9.553499 9.707866 9.418754 10.467191 8.476636 30 H 8.433199 8.592392 8.154713 9.393811 7.522011 31 H 8.063275 8.119382 8.011607 9.004909 7.006979 32 H 9.980466 10.564314 9.968921 10.508986 8.685841 33 H 9.734759 10.229532 9.611324 10.411107 8.513664 34 H 9.157735 9.595051 9.228586 9.784753 7.820053 6 7 8 9 10 6 P 0.000000 7 S 2.135720 0.000000 8 O 1.446493 3.026302 0.000000 9 O 1.568108 2.842263 2.573462 0.000000 10 C 2.628974 4.126369 3.027044 1.427404 0.000000 11 H 2.866030 4.248182 2.804413 2.063728 1.078558 12 H 3.485085 4.655292 4.051346 2.011884 1.077490 13 H 2.953286 4.789771 3.204122 2.067698 1.081165 14 O 2.885085 1.439699 4.091006 3.343971 4.759024 15 C 3.099279 1.770145 3.366387 4.301801 5.463085 16 O 2.896029 1.435728 3.528419 3.075367 4.077338 17 C 3.707540 2.729300 4.011517 5.061212 6.287083 18 C 4.886019 4.008988 4.895083 6.318820 7.462151 19 C 5.488241 4.539639 5.231851 6.887441 7.907928 20 C 5.092467 4.033600 4.751194 6.341810 7.259564 21 C 3.955743 2.739292 3.814929 5.074090 6.031954 22 H 5.585719 4.847628 5.636448 7.040388 8.205632 23 O 6.762616 5.885039 6.386502 8.191567 9.165596 24 O 6.040087 5.021838 5.526214 7.173297 7.937892 25 H 4.075586 2.882694 3.879155 4.940234 5.750003 26 H 3.647065 2.868591 4.226625 4.923797 6.223892 27 C 7.499743 6.733013 7.191458 8.988756 10.014474 28 C 7.219286 6.357678 6.555718 8.425059 9.125913 29 H 8.473260 7.713686 8.072610 9.962599 10.942243 30 H 7.683634 6.727230 7.575168 9.127583 10.257221 31 H 7.194545 6.719188 6.828774 8.733351 9.714987 32 H 7.776910 6.928053 7.050493 8.868472 9.459725 33 H 7.876738 6.844286 7.333830 9.118025 9.922288 34 H 7.141449 6.574927 6.330800 8.435477 9.073202 11 12 13 14 15 11 H 0.000000 12 H 1.771376 0.000000 13 H 1.767355 1.769012 0.000000 14 O 5.156511 5.128853 5.328991 0.000000 15 C 5.388260 6.164038 5.996962 2.615898 0.000000 16 O 3.980769 4.423446 4.969400 2.500823 2.613239 17 C 6.342308 7.037675 6.649035 3.005992 1.384148 18 C 7.411149 8.271062 7.781078 4.355309 2.377737 19 C 7.671577 8.726903 8.306523 5.183919 2.769505 20 C 6.892632 8.027241 7.784923 4.966693 2.407093 21 C 5.714785 6.737487 6.640668 3.818475 1.386018 22 H 8.230169 9.027559 8.431955 4.975259 3.347332 23 O 8.880498 10.012886 9.525002 6.496708 4.115033 24 O 7.416704 8.675463 8.518719 6.074247 3.585041 25 H 5.307657 6.374385 6.472842 4.125788 2.142014 26 H 6.457450 6.932707 6.497152 2.679940 2.142154 27 C 9.824680 10.887972 10.274279 7.137447 4.997098 28 C 8.554974 9.913934 9.635397 7.381817 4.827986 29 H 10.692709 11.827885 11.203859 8.170661 5.956691 30 H 10.157981 11.076402 10.546371 6.926953 5.059735 31 H 9.562316 10.637225 9.865765 7.115032 5.048540 32 H 8.795891 10.204061 10.018655 8.036618 5.545479 33 H 9.418063 10.695852 10.437295 7.717619 5.228303 34 H 8.495865 9.938090 9.472372 7.624958 5.011723 16 17 18 19 20 16 O 0.000000 17 C 3.868357 0.000000 18 C 4.981943 1.379957 0.000000 19 C 5.180742 2.417394 1.392245 0.000000 20 C 4.317617 2.801279 2.413224 1.401422 0.000000 21 C 2.942156 2.407851 2.754853 2.397247 1.382294 22 H 5.932818 2.118404 1.072048 2.136079 3.384211 23 O 6.478648 3.659512 2.402718 1.346071 2.353250 24 O 4.979291 4.143611 3.692438 2.459961 1.348385 25 H 2.549659 3.381296 3.827071 3.363905 2.115333 26 H 4.207698 1.073318 2.135597 3.389397 3.874510 27 C 7.517890 4.189349 2.809433 2.386807 3.653945 28 C 6.372881 5.152423 4.393727 3.014899 2.444326 29 H 8.415067 5.235504 3.859147 3.237929 4.338248 30 H 7.571482 4.120468 2.808856 2.724013 4.035777 31 H 7.630127 4.118401 2.805412 2.709190 4.012339 32 H 6.736611 6.045053 5.400147 4.038647 3.259367 33 H 6.941742 5.361803 4.432493 3.057661 2.845120 34 H 6.731151 5.200294 4.362687 3.058875 2.750561 21 22 23 24 25 21 C 0.000000 22 H 3.826875 0.000000 23 O 3.611205 2.656128 0.000000 24 O 2.292716 4.583011 2.841879 0.000000 25 H 1.072238 4.899086 4.465393 2.463297 0.000000 26 H 3.383135 2.444726 4.534076 5.216182 4.272925 27 C 4.783691 2.483990 1.403461 4.245117 5.726060 28 C 3.623320 5.082121 2.738093 1.408075 3.844537 29 H 5.587538 3.557183 1.987559 4.649580 6.452166 30 H 5.024622 2.286776 2.059709 4.758348 6.006039 31 H 5.005374 2.304006 2.059736 4.736324 5.985281 32 H 4.234064 6.136381 3.810449 1.979979 4.195601 33 H 4.136404 4.974161 2.435294 2.067278 4.490839 34 H 3.934455 4.955034 2.661943 2.066098 4.261313 26 27 28 29 30 26 H 0.000000 27 C 4.828732 0.000000 28 C 6.212605 4.016768 0.000000 29 H 5.904088 1.078398 4.096281 0.000000 30 H 4.622987 1.083218 4.711419 1.764435 0.000000 31 H 4.634394 1.083274 4.569088 1.765007 1.772352 32 H 7.116230 5.065062 1.079684 5.054903 5.751467 33 H 6.387867 3.563666 1.078719 3.487917 4.155191 34 H 6.221210 3.786080 1.081577 3.827570 4.661931 31 32 33 34 31 H 0.000000 32 H 5.622425 0.000000 33 H 4.316739 1.764218 0.000000 34 H 4.123623 1.764064 1.765952 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.596666 2.232738 0.232008 2 1 0 3.695059 3.130948 0.820753 3 1 0 3.319387 2.475540 -0.781707 4 1 0 4.520793 1.678731 0.244391 5 8 0 2.544629 1.476825 0.839723 6 15 0 2.329844 -0.073795 0.686237 7 16 0 1.228207 -0.214259 -1.138034 8 8 0 1.684140 -0.712775 1.811899 9 8 0 3.690992 -0.682872 0.201199 10 6 0 4.485834 -1.540810 1.019521 11 1 0 3.896493 -2.376540 1.362332 12 1 0 5.295444 -1.881103 0.395248 13 1 0 4.875386 -0.994361 1.867200 14 8 0 1.671832 0.885981 -1.953756 15 6 0 -0.454511 0.069305 -0.667432 16 8 0 1.357598 -1.569010 -1.595442 17 6 0 -0.889994 1.366078 -0.456243 18 6 0 -2.204591 1.571999 -0.090577 19 6 0 -3.091066 0.508723 0.057586 20 6 0 -2.639680 -0.800790 -0.155505 21 6 0 -1.321482 -1.001946 -0.519687 22 1 0 -2.548926 2.574834 0.067674 23 8 0 -4.383908 0.681710 0.390065 24 8 0 -3.367515 -1.932451 -0.067518 25 1 0 -0.984902 -2.005898 -0.688479 26 1 0 -0.223881 2.197484 -0.586894 27 6 0 -4.886862 1.966716 0.645994 28 6 0 -4.615575 -2.040259 0.575444 29 1 0 -5.924511 1.827294 0.904426 30 1 0 -4.815870 2.597127 -0.232017 31 1 0 -4.367746 2.432575 1.474834 32 1 0 -4.834272 -3.097561 0.573936 33 1 0 -5.388094 -1.509370 0.041586 34 1 0 -4.567916 -1.684413 1.595695 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6493228 0.1731644 0.1602751 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1932.0433807245 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.74D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999505 -0.030903 0.001296 -0.005829 Ang= -3.61 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.61168904 A.U. after 13 cycles NFock= 13 Conv=0.93D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.001398680 0.004754710 -0.000789481 2 1 0.000173996 -0.000235138 -0.000236513 3 1 0.000318897 -0.000809363 -0.000040904 4 1 0.000189379 -0.000696430 -0.000047092 5 8 0.002886454 -0.006410618 0.003331263 6 15 -0.003133538 0.001298023 -0.003189986 7 16 0.005045789 0.002599285 -0.005262009 8 8 0.000699227 0.000276305 0.000514825 9 8 -0.004618062 0.001336782 -0.001462927 10 6 0.002280054 -0.003041963 0.000198583 11 1 0.000037720 0.000320090 0.000116589 12 1 0.000112988 0.000246843 0.000063878 13 1 -0.000063115 0.000598279 0.000251933 14 8 -0.000999333 0.001333506 0.001495830 15 6 -0.001889042 0.001125030 0.002489945 16 8 0.001346241 0.000398115 0.000435741 17 6 0.000659972 -0.001635842 0.001930549 18 6 0.000762780 0.000841082 -0.001121910 19 6 -0.002695614 0.001464134 0.000146815 20 6 0.001427323 -0.002680010 -0.000936418 21 6 -0.003090409 -0.002215614 0.001135993 22 1 -0.000084178 -0.000558564 0.000604742 23 8 0.000480923 -0.000505087 0.000556057 24 8 0.001099367 0.003386070 0.001394449 25 1 0.000015434 0.000078785 -0.000403259 26 1 0.000490542 0.000200117 -0.000393330 27 6 0.001316990 -0.001406373 0.001008935 28 6 -0.000519238 -0.001170374 0.000322690 29 1 -0.000184901 0.000591607 -0.000563701 30 1 -0.000233743 0.000560984 -0.000067251 31 1 -0.000418058 0.000122701 -0.000454116 32 1 0.000308919 -0.000254022 -0.000560911 33 1 0.000205417 -0.000010526 -0.000035912 34 1 -0.000530502 0.000097474 -0.000433098 ------------------------------------------------------------------- Cartesian Forces: Max 0.006410618 RMS 0.001710508 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.006409876 RMS 0.001100779 Search for a local minimum. Step number 10 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 9 10 DE= -1.78D-03 DEPred=-1.29D-03 R= 1.39D+00 TightC=F SS= 1.41D+00 RLast= 6.11D-01 DXNew= 2.8210D+00 1.8315D+00 Trust test= 1.39D+00 RLast= 6.11D-01 DXMaxT set to 1.83D+00 ITU= 1 1 1 1 1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00130 0.00836 0.01109 0.01255 0.01610 Eigenvalues --- 0.01697 0.01774 0.01809 0.02070 0.02392 Eigenvalues --- 0.02549 0.02576 0.02676 0.02721 0.02776 Eigenvalues --- 0.02868 0.03654 0.04715 0.05055 0.09419 Eigenvalues --- 0.09853 0.09995 0.10365 0.10460 0.10478 Eigenvalues --- 0.10483 0.10654 0.10841 0.10916 0.10965 Eigenvalues --- 0.11944 0.13714 0.15874 0.15947 0.15988 Eigenvalues --- 0.15998 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16000 0.16009 0.16045 0.16069 Eigenvalues --- 0.16315 0.16656 0.18266 0.19233 0.20210 Eigenvalues --- 0.22116 0.23370 0.23564 0.24371 0.24866 Eigenvalues --- 0.24914 0.25006 0.25371 0.26350 0.26854 Eigenvalues --- 0.31639 0.32817 0.33454 0.33482 0.33559 Eigenvalues --- 0.33629 0.33728 0.34217 0.34798 0.34831 Eigenvalues --- 0.34849 0.34861 0.34888 0.35226 0.36762 Eigenvalues --- 0.38409 0.38743 0.39223 0.39497 0.39810 Eigenvalues --- 0.40471 0.42442 0.44736 0.45086 0.47094 Eigenvalues --- 0.48903 0.49345 0.52732 0.53662 0.60380 Eigenvalues --- 0.64991 0.72961 0.77428 0.86619 0.87712 Eigenvalues --- 1.29955 RFO step: Lambda=-2.45997034D-03 EMin= 1.29867973D-03 Quartic linear search produced a step of 1.28723. Iteration 1 RMS(Cart)= 0.27052793 RMS(Int)= 0.03454885 Iteration 2 RMS(Cart)= 0.10298126 RMS(Int)= 0.00544835 Iteration 3 RMS(Cart)= 0.00811596 RMS(Int)= 0.00009135 Iteration 4 RMS(Cart)= 0.00005590 RMS(Int)= 0.00008832 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00008832 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03800 -0.00004 0.00156 -0.00037 0.00118 2.03919 R2 2.03833 -0.00062 0.00461 0.00007 0.00467 2.04300 R3 2.03625 0.00056 -0.00444 0.00120 -0.00324 2.03301 R4 2.70403 -0.00010 -0.00565 -0.00165 -0.00730 2.69673 R5 2.97241 -0.00367 0.01526 -0.00736 0.00790 2.98031 R6 4.03593 0.00358 -0.02907 0.00304 -0.02603 4.00990 R7 2.73348 -0.00020 -0.00109 -0.00002 -0.00110 2.73237 R8 2.96329 -0.00013 0.00123 0.00069 0.00192 2.96522 R9 2.72064 0.00214 -0.01318 0.00196 -0.01121 2.70942 R10 3.34509 -0.00555 -0.01376 -0.01089 -0.02465 3.32044 R11 2.71313 0.00110 -0.00532 0.00114 -0.00418 2.70896 R12 2.69740 0.00203 -0.00448 0.00377 -0.00070 2.69670 R13 2.03818 -0.00009 -0.00011 -0.00067 -0.00078 2.03740 R14 2.03616 -0.00003 0.00061 0.00010 0.00072 2.03688 R15 2.04310 -0.00031 0.00023 -0.00152 -0.00129 2.04181 R16 2.61566 -0.00198 0.00152 -0.00388 -0.00232 2.61334 R17 2.61920 -0.00212 0.01063 0.00050 0.01118 2.63037 R18 2.60774 0.00037 0.00008 0.00159 0.00166 2.60940 R19 2.02828 -0.00057 0.00181 -0.00092 0.00090 2.02917 R20 2.63096 -0.00076 -0.00297 0.00003 -0.00299 2.62797 R21 2.02588 -0.00057 0.00185 -0.00154 0.00031 2.02619 R22 2.64830 0.00098 -0.00434 0.00480 0.00042 2.64872 R23 2.54371 -0.00037 -0.01225 -0.00317 -0.01541 2.52829 R24 2.61216 0.00032 -0.01003 -0.00087 -0.01088 2.60128 R25 2.54808 0.00011 -0.00076 0.00407 0.00331 2.55138 R26 2.02624 -0.00022 0.00221 -0.00026 0.00194 2.02818 R27 2.65216 -0.00033 0.00414 0.00259 0.00673 2.65888 R28 2.66088 -0.00004 -0.00324 0.00084 -0.00240 2.65847 R29 2.03788 0.00054 -0.00190 0.00094 -0.00097 2.03691 R30 2.04699 0.00044 -0.00218 0.00044 -0.00174 2.04525 R31 2.04709 0.00046 -0.00192 0.00053 -0.00139 2.04570 R32 2.04031 0.00036 -0.00072 0.00095 0.00024 2.04054 R33 2.03848 0.00001 -0.00075 -0.00156 -0.00231 2.03617 R34 2.04388 0.00057 0.00248 0.00212 0.00460 2.04849 A1 1.92733 0.00064 -0.01198 0.00332 -0.00867 1.91866 A2 1.92164 0.00012 0.00099 -0.00005 0.00086 1.92250 A3 1.84960 -0.00024 0.00551 0.00003 0.00549 1.85509 A4 1.92517 0.00009 -0.00382 -0.00114 -0.00498 1.92019 A5 1.90610 0.00014 -0.00192 0.00188 -0.00005 1.90605 A6 1.93270 -0.00076 0.01163 -0.00395 0.00762 1.94033 A7 2.18920 0.00641 -0.03100 0.01876 -0.01224 2.17696 A8 1.79120 0.00175 -0.03122 -0.00015 -0.03129 1.75991 A9 2.00479 0.00030 0.01091 0.00825 0.01922 2.02401 A10 1.86979 -0.00101 0.00271 -0.00554 -0.00275 1.86704 A11 1.98822 -0.00180 0.01483 -0.00893 0.00600 1.99422 A12 1.72945 0.00077 0.00725 0.00390 0.01108 1.74053 A13 2.04497 0.00023 -0.00823 0.00149 -0.00688 2.03809 A14 1.84914 0.00099 -0.00173 0.00132 -0.00040 1.84874 A15 1.82628 0.00031 0.00189 0.00244 0.00431 1.83059 A16 1.86262 0.00011 -0.00866 -0.00445 -0.01315 1.84948 A17 1.89772 -0.00069 -0.00336 0.00044 -0.00292 1.89480 A18 2.10928 -0.00031 0.01992 0.00048 0.02044 2.12971 A19 1.89814 -0.00025 -0.00989 0.00005 -0.00988 1.88826 A20 2.14062 0.00098 -0.01427 0.00128 -0.01299 2.12763 A21 1.92162 -0.00025 0.00649 -0.00003 0.00645 1.92807 A22 1.85050 -0.00023 0.00219 -0.00049 0.00169 1.85219 A23 1.92446 -0.00066 0.00235 -0.00533 -0.00299 1.92147 A24 1.92837 0.00019 -0.00234 0.00057 -0.00178 1.92659 A25 1.91698 0.00056 -0.00615 0.00242 -0.00373 1.91325 A26 1.92107 0.00036 -0.00215 0.00271 0.00056 1.92162 A27 2.08257 0.00093 0.00383 0.00412 0.00754 2.09011 A28 2.09341 -0.00222 0.00765 -0.00504 0.00220 2.09561 A29 2.10720 0.00129 -0.01109 0.00098 -0.01033 2.09687 A30 2.07140 -0.00006 0.00465 0.00078 0.00548 2.07688 A31 2.10817 0.00037 -0.00241 0.00055 -0.00190 2.10628 A32 2.10352 -0.00030 -0.00226 -0.00138 -0.00368 2.09984 A33 2.11859 -0.00057 0.00138 -0.00078 0.00056 2.11915 A34 2.07680 -0.00032 0.00204 -0.00422 -0.00218 2.07462 A35 2.08769 0.00089 -0.00347 0.00497 0.00150 2.08920 A36 2.08560 0.00029 -0.00359 -0.00012 -0.00378 2.08182 A37 2.14086 0.00170 0.00248 0.00809 0.01059 2.15145 A38 2.05669 -0.00199 0.00108 -0.00799 -0.00688 2.04980 A39 2.07510 -0.00066 0.00492 -0.00135 0.00347 2.07857 A40 2.21486 -0.00098 -0.01406 -0.00577 -0.01992 2.19494 A41 1.99304 0.00164 0.00897 0.00693 0.01579 2.00883 A42 2.10844 -0.00028 0.00375 0.00047 0.00429 2.11273 A43 2.10661 0.00043 -0.00478 0.00083 -0.00401 2.10261 A44 2.06812 -0.00015 0.00102 -0.00130 -0.00034 2.06779 A45 2.10238 0.00068 -0.00397 0.01001 0.00604 2.10842 A46 2.18034 -0.00158 -0.01028 -0.00504 -0.01532 2.16502 A47 1.84435 0.00073 -0.00660 0.00542 -0.00119 1.84316 A48 1.94074 0.00036 -0.00280 0.00173 -0.00107 1.93967 A49 1.94072 0.00041 -0.00299 0.00288 -0.00011 1.94060 A50 1.90980 -0.00059 0.00487 -0.00420 0.00066 1.91047 A51 1.91064 -0.00056 0.00493 -0.00394 0.00099 1.91163 A52 1.91611 -0.00034 0.00261 -0.00190 0.00071 1.91682 A53 1.82748 0.00078 -0.00040 0.00940 0.00899 1.83647 A54 1.95099 0.00009 0.00117 0.00040 0.00156 1.95254 A55 1.94603 -0.00030 -0.00080 -0.00516 -0.00597 1.94006 A56 1.91367 -0.00014 0.00159 -0.00006 0.00151 1.91518 A57 1.90967 -0.00019 -0.00142 -0.00193 -0.00334 1.90633 A58 1.91397 -0.00019 -0.00015 -0.00221 -0.00236 1.91160 D1 -2.76079 0.00001 0.06940 -0.00875 0.06059 -2.70020 D2 1.44614 -0.00069 0.08145 -0.01366 0.06779 1.51393 D3 -0.67718 -0.00040 0.08001 -0.01093 0.06914 -0.60805 D4 -1.47566 0.00041 -0.15417 0.00949 -0.14481 -1.62046 D5 2.64024 0.00124 -0.15695 0.01591 -0.14094 2.49930 D6 0.33593 0.00159 -0.15707 0.01199 -0.14505 0.19088 D7 0.54929 0.00001 0.12410 0.04489 0.16897 0.71826 D8 -1.45476 0.00023 0.12777 0.04278 0.17054 -1.28423 D9 2.81817 0.00033 0.14185 0.04352 0.18533 3.00350 D10 2.72751 0.00055 0.12468 0.04981 0.17446 2.90197 D11 0.72346 0.00077 0.12836 0.04770 0.17602 0.89948 D12 -1.28680 0.00087 0.14243 0.04845 0.19082 -1.09598 D13 -1.37007 0.00041 0.12690 0.04962 0.17660 -1.19347 D14 2.90906 0.00063 0.13058 0.04751 0.17817 3.08723 D15 0.89881 0.00072 0.14465 0.04826 0.19297 1.09178 D16 1.95505 0.00081 0.26751 0.11790 0.38540 2.34045 D17 -2.47251 0.00271 0.23725 0.11775 0.35503 -2.11748 D18 -0.32700 0.00115 0.25655 0.11025 0.36677 0.03977 D19 1.38791 0.00073 0.09382 0.03136 0.12502 1.51293 D20 -1.75830 0.00100 0.12193 0.04472 0.16679 -1.59152 D21 -0.58182 -0.00026 0.09632 0.02850 0.12467 -0.45715 D22 2.55515 0.00002 0.12443 0.04186 0.16644 2.72159 D23 -2.90999 0.00089 0.08050 0.02748 0.10785 -2.80214 D24 0.22698 0.00117 0.10861 0.04084 0.14962 0.37660 D25 0.95449 -0.00008 -0.05177 -0.01639 -0.06817 0.88632 D26 3.04070 -0.00013 -0.04982 -0.01601 -0.06582 2.97488 D27 -1.16347 -0.00019 -0.04986 -0.01591 -0.06576 -1.22923 D28 3.14092 0.00011 0.01887 0.00400 0.02277 -3.11949 D29 0.01392 0.00016 0.02100 0.00798 0.02889 0.04281 D30 0.00399 -0.00016 -0.00977 -0.00945 -0.01906 -0.01508 D31 -3.12301 -0.00011 -0.00763 -0.00546 -0.01295 -3.13596 D32 -3.13929 -0.00009 -0.02453 -0.00567 -0.03004 3.11386 D33 -0.00100 -0.00010 -0.03156 -0.00703 -0.03847 -0.03948 D34 -0.00238 0.00019 0.00423 0.00789 0.01194 0.00956 D35 3.13590 0.00018 -0.00281 0.00653 0.00351 3.13941 D36 -0.00835 0.00005 0.00449 0.00317 0.00771 -0.00065 D37 -3.13431 0.00006 0.00957 0.00523 0.01479 -3.11952 D38 3.11869 0.00000 0.00236 -0.00079 0.00163 3.12031 D39 -0.00727 0.00001 0.00744 0.00127 0.00871 0.00144 D40 0.01097 0.00004 0.00615 0.00469 0.01080 0.02177 D41 -3.12057 0.00010 0.01072 0.00665 0.01731 -3.10327 D42 3.13683 0.00003 0.00108 0.00254 0.00362 3.14045 D43 0.00529 0.00008 0.00564 0.00449 0.01013 0.01542 D44 -0.00904 -0.00003 -0.01163 -0.00630 -0.01792 -0.02696 D45 -3.12867 0.00006 0.00217 0.00471 0.00662 -3.12205 D46 3.12299 -0.00006 -0.01597 -0.00807 -0.02395 3.09903 D47 0.00336 0.00003 -0.00217 0.00294 0.00059 0.00395 D48 -0.03551 -0.00003 -0.01044 -0.00311 -0.01353 -0.04905 D49 3.11597 0.00001 -0.00592 -0.00122 -0.00715 3.10882 D50 0.00489 -0.00009 0.00660 0.00013 0.00679 0.01168 D51 -3.13347 -0.00009 0.01347 0.00145 0.01507 -3.11840 D52 3.12722 -0.00019 -0.00564 -0.00967 -0.01562 3.11160 D53 -0.01113 -0.00019 0.00124 -0.00834 -0.00734 -0.01847 D54 -0.29603 -0.00135 -0.19052 -0.17574 -0.36621 -0.66223 D55 2.86665 -0.00125 -0.17727 -0.16509 -0.34241 2.52423 D56 -3.12250 -0.00002 0.00437 0.00025 0.00462 -3.11788 D57 1.09008 0.00007 0.00397 0.00113 0.00510 1.09518 D58 -1.05089 -0.00004 0.00473 0.00030 0.00503 -1.04586 D59 -3.00609 0.00068 0.08792 0.07803 0.16597 -2.84011 D60 1.20655 0.00034 0.08566 0.07226 0.15791 1.36446 D61 -0.94285 0.00076 0.08559 0.07863 0.16421 -0.77864 Item Value Threshold Converged? Maximum Force 0.006410 0.000450 NO RMS Force 0.001101 0.000300 NO Maximum Displacement 1.269448 0.001800 NO RMS Displacement 0.342565 0.001200 NO Predicted change in Energy=-2.453661D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.723274 -0.397809 -0.978860 2 1 0 -0.052688 -0.281534 -1.719671 3 1 0 0.706586 0.438018 -0.293360 4 1 0 0.586231 -1.318827 -0.440025 5 8 0 1.959951 -0.396380 -1.690965 6 15 0 3.289166 -1.077568 -1.184549 7 16 0 4.219092 0.551250 -0.192156 8 8 0 4.108273 -1.700247 -2.200418 9 8 0 2.907821 -1.960527 0.055255 10 6 0 3.383876 -3.297564 0.203988 11 1 0 4.453456 -3.333710 0.073266 12 1 0 3.117308 -3.600771 1.203392 13 1 0 2.907891 -3.943679 -0.519482 14 8 0 3.173439 1.228139 0.517855 15 6 0 4.789055 1.599659 -1.481879 16 8 0 5.362182 0.004121 0.477898 17 6 0 3.941332 2.552109 -2.017298 18 6 0 4.396830 3.349905 -3.048199 19 6 0 5.684932 3.214779 -3.554633 20 6 0 6.530147 2.230289 -3.024546 21 6 0 6.074317 1.441758 -1.992417 22 1 0 3.744914 4.101449 -3.447986 23 8 0 6.178590 3.995298 -4.522678 24 8 0 7.805960 1.999451 -3.401215 25 1 0 6.737289 0.705602 -1.579567 26 1 0 2.949925 2.684804 -1.626744 27 6 0 5.379407 4.979970 -5.132131 28 6 0 8.262503 2.083036 -4.729251 29 1 0 6.004749 5.438407 -5.880879 30 1 0 5.067695 5.728379 -4.415130 31 1 0 4.510612 4.540835 -5.605671 32 1 0 9.204553 1.555365 -4.738939 33 1 0 8.414290 3.104120 -5.038026 34 1 0 7.574042 1.596876 -5.410978 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.079091 0.000000 3 H 1.081109 1.768789 0.000000 4 H 1.075824 1.766830 1.767060 0.000000 5 O 1.427048 2.016117 2.054373 2.074335 0.000000 6 P 2.662364 3.476782 3.124251 2.813961 1.577114 7 S 3.706799 4.612476 3.515788 4.093446 2.871960 8 O 3.827110 4.422382 4.447531 3.955912 2.564157 9 O 2.878146 3.838488 3.274139 2.459036 2.528695 10 C 4.109320 4.960531 4.622750 3.486684 3.746369 11 H 4.862175 5.730247 5.329108 4.390746 4.237687 12 H 4.555501 5.441554 4.935957 3.783443 4.470448 13 H 4.190080 4.859711 4.908783 3.505177 3.854127 14 O 3.299571 4.206367 2.714355 3.754758 2.998416 15 C 4.557794 5.199798 4.407782 5.221757 3.468677 16 O 4.878848 5.850788 4.738954 5.040087 4.054571 17 C 4.487345 4.906150 4.231422 5.359910 3.567345 18 C 5.641147 5.894959 5.448498 6.566604 4.670665 19 C 6.656084 6.965025 6.567362 7.500074 5.512641 20 C 6.694140 7.165589 6.677236 7.389595 5.437327 21 C 5.748474 6.370581 5.718988 6.336389 4.516373 22 H 5.955687 6.051395 5.709976 6.957334 5.148172 23 O 7.849745 8.060828 7.777159 8.728256 6.715828 24 O 7.859968 8.353970 7.905564 8.479628 6.545286 25 H 6.143837 6.862787 6.172140 6.575133 4.904052 26 H 3.857490 4.221786 3.443622 4.798375 3.236953 27 C 8.237095 8.296744 8.116544 9.201371 7.241508 28 C 8.778382 9.153751 8.914881 9.428429 7.422994 29 H 9.272819 9.312675 9.181220 10.228560 8.243816 30 H 8.259063 8.342834 7.999762 9.249221 7.388628 31 H 7.755096 7.692850 7.715204 8.741870 6.797564 32 H 9.480779 9.908919 9.655418 10.050727 8.098377 33 H 9.375076 9.703805 9.435500 10.098642 8.069374 34 H 8.399730 8.678777 8.642623 9.057660 7.023502 6 7 8 9 10 6 P 0.000000 7 S 2.121946 0.000000 8 O 1.445910 3.019045 0.000000 9 O 1.569125 2.844234 2.568442 0.000000 10 C 2.620188 3.958268 2.976129 1.427031 0.000000 11 H 2.833345 3.901063 2.820814 2.067594 1.078145 12 H 3.478268 4.516720 4.022428 2.013083 1.077869 13 H 2.966863 4.693695 3.049500 2.064756 1.080479 14 O 2.868424 1.433766 4.103457 3.232977 4.541451 15 C 3.083119 1.757101 3.445162 4.310075 5.366514 16 O 2.869003 1.433519 3.413287 3.172121 3.858736 17 C 3.780655 2.722450 4.259570 5.072229 6.282002 18 C 4.929770 4.002629 5.128940 6.328448 7.469380 19 C 5.457219 4.533137 5.336406 6.894014 7.863377 20 C 4.983118 4.022758 4.689752 6.337930 7.132995 21 C 3.841447 2.734191 3.712248 5.078897 5.875699 22 H 5.670368 4.840371 5.945429 7.051310 8.259095 23 O 6.725016 5.869797 6.489864 8.193122 9.128945 24 O 5.897718 5.026029 5.366802 7.184732 7.785286 25 H 3.901959 2.879244 3.617359 4.944260 5.518313 26 H 3.803428 2.867208 4.571602 4.940647 6.271253 27 C 7.526372 6.735224 7.405135 9.010450 10.048576 28 C 6.876657 6.267438 6.161644 8.241027 8.780017 29 H 8.478670 7.709374 8.252442 9.978621 10.964113 30 H 7.740849 6.734709 7.810885 9.152523 10.278091 31 H 7.252910 6.731115 7.121006 8.768279 9.821515 32 H 7.386328 6.821753 6.558595 8.659944 9.047858 33 H 7.655240 6.899224 7.048102 9.050600 9.683250 34 H 6.586009 6.291671 5.761100 8.019255 8.546396 11 12 13 14 15 11 H 0.000000 12 H 1.770254 0.000000 13 H 1.764138 1.769107 0.000000 14 O 4.758841 4.877651 5.281504 0.000000 15 C 5.183554 6.086862 5.932418 2.597533 0.000000 16 O 3.482905 4.308253 4.754307 2.508069 2.591320 17 C 6.267025 6.993554 6.745867 2.961344 1.382921 18 C 7.376819 8.247733 7.861788 4.326120 2.381293 19 C 7.586890 8.699610 8.256369 5.180685 2.776242 20 C 6.698296 7.970206 7.583796 4.982008 2.410170 21 C 5.449709 6.662146 6.418623 3.842159 1.391933 22 H 8.257290 9.019612 8.602373 4.930556 3.348844 23 O 8.821176 9.992977 9.473669 6.488072 4.112949 24 O 7.194019 8.634138 8.222910 6.116721 3.597971 25 H 4.925829 6.276461 6.115871 4.168123 2.145809 26 H 6.432197 6.895371 6.720460 2.602140 2.140310 27 C 9.852453 10.903442 10.344875 7.131961 5.009926 28 C 8.180107 9.694067 9.094796 7.359453 4.779531 29 H 10.714868 11.841915 11.240936 8.166179 5.963648 30 H 10.131360 11.063672 10.648453 6.940801 5.072271 31 H 9.708864 10.704689 10.021228 7.089397 5.072840 32 H 8.344657 9.947441 9.364361 8.007203 5.486987 33 H 9.124646 10.581534 10.020436 7.864708 5.296405 34 H 8.007851 9.519869 8.740564 7.392722 4.816013 16 17 18 19 20 16 O 0.000000 17 C 3.838888 0.000000 18 C 4.955758 1.380837 0.000000 19 C 5.164669 2.417162 1.390662 0.000000 20 C 4.311274 2.796441 2.409386 1.401642 0.000000 21 C 2.945571 2.404812 2.751302 2.394941 1.376537 22 H 5.900527 2.117994 1.072214 2.135703 3.382021 23 O 6.449944 3.655823 2.401102 1.337916 2.341634 24 O 5.000091 4.141981 3.683817 2.449350 1.350134 25 H 2.572189 3.379138 3.824522 3.362189 2.110816 26 H 4.175472 1.073792 2.134579 3.387905 3.870198 27 C 7.498786 4.202945 2.822294 2.386995 3.650598 28 C 6.312539 5.123206 4.401627 3.050318 2.434904 29 H 8.389184 5.245537 3.869279 3.233918 4.327436 30 H 7.536284 4.136059 2.824129 2.727567 4.038456 31 H 7.636540 4.141923 2.823459 2.710020 4.009906 32 H 6.662249 6.008521 5.403071 4.067427 3.247632 33 H 7.025011 5.425575 4.489967 3.108390 2.892693 34 H 6.489072 5.062224 4.330186 3.103605 2.680669 21 22 23 24 25 21 C 0.000000 22 H 3.823448 0.000000 23 O 3.596340 2.662519 0.000000 24 O 2.300939 4.573038 2.808811 0.000000 25 H 1.073267 4.896639 4.449287 2.476794 0.000000 26 H 3.382411 2.440453 4.530796 5.215317 4.273593 27 C 4.781177 2.505935 1.407020 4.215178 5.721432 28 C 3.562255 5.111188 2.835862 1.406804 3.760867 29 H 5.576575 3.579564 1.989345 4.606465 6.437185 30 H 5.025729 2.309117 2.061365 4.736140 6.004686 31 H 5.010494 2.331300 2.062191 4.709307 5.989709 32 H 4.165894 6.160906 3.893134 1.985644 4.097698 33 H 4.185052 5.032490 2.461328 2.066279 4.530581 34 H 3.736282 4.978800 2.913553 2.062765 4.021721 26 27 28 29 30 26 H 0.000000 27 C 4.843337 0.000000 28 C 6.181518 4.106919 0.000000 29 H 5.917090 1.077887 4.205023 0.000000 30 H 4.639332 1.082298 4.857365 1.763682 0.000000 31 H 4.659663 1.082536 4.570073 1.764602 1.771437 32 H 7.076848 5.149200 1.079809 5.159534 5.884937 33 H 6.455382 3.569059 1.077494 3.459073 4.298189 34 H 6.073424 4.042215 1.084012 4.176224 4.933843 31 32 33 34 31 H 0.000000 32 H 5.630038 0.000000 33 H 4.198222 1.764259 0.000000 34 H 4.253164 1.764065 1.765472 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.249187 2.327631 0.847590 2 1 0 3.163610 3.086831 1.609645 3 1 0 3.069707 2.761198 -0.126373 4 1 0 4.227578 1.881243 0.877377 5 8 0 2.234303 1.364042 1.126825 6 15 0 2.290157 -0.151184 0.692941 7 16 0 1.265554 -0.072529 -1.163577 8 8 0 1.740434 -1.100218 1.635169 9 8 0 3.747151 -0.427398 0.180078 10 6 0 4.481322 -1.583544 0.581002 11 1 0 3.891648 -2.474179 0.434545 12 1 0 5.361532 -1.609596 -0.040571 13 1 0 4.763312 -1.502027 1.620844 14 8 0 1.728159 1.116255 -1.818157 15 6 0 -0.425040 0.145444 -0.737212 16 8 0 1.414863 -1.371283 -1.751726 17 6 0 -0.922683 1.419523 -0.533390 18 6 0 -2.247036 1.571161 -0.173104 19 6 0 -3.085085 0.472980 -0.013058 20 6 0 -2.567607 -0.816692 -0.196270 21 6 0 -1.248622 -0.962927 -0.561985 22 1 0 -2.636031 2.560818 -0.035610 23 8 0 -4.383163 0.578799 0.293231 24 8 0 -3.264975 -1.968368 -0.095369 25 1 0 -0.868460 -1.953984 -0.720683 26 1 0 -0.296460 2.280865 -0.671102 27 6 0 -4.967164 1.836618 0.531015 28 6 0 -4.272765 -2.197863 0.858983 29 1 0 -5.997545 1.636256 0.775986 30 1 0 -4.921259 2.461314 -0.351605 31 1 0 -4.488826 2.339313 1.361903 32 1 0 -4.402973 -3.269552 0.881700 33 1 0 -5.200903 -1.724378 0.584454 34 1 0 -3.967371 -1.854511 1.840781 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6336107 0.1787878 0.1648016 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1940.7519927429 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.69D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.998929 -0.043963 0.002770 -0.014124 Ang= -5.30 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.61461414 A.U. after 15 cycles NFock= 15 Conv=0.83D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.004823287 0.007843215 0.000287083 2 1 0.000624674 -0.000558394 -0.000303271 3 1 0.000948787 -0.001671041 -0.000528794 4 1 0.000270816 -0.001615838 -0.000057548 5 8 0.004944332 -0.011884651 0.005428768 6 15 -0.006477015 0.004277065 -0.005273221 7 16 0.009171042 0.001150206 -0.011499920 8 8 0.000932245 0.000620002 -0.000229305 9 8 -0.004300725 0.001290472 -0.004017605 10 6 0.002291012 -0.005023924 0.001519992 11 1 0.000234764 0.000686278 0.000542279 12 1 0.000084217 0.000714176 0.000006551 13 1 -0.000343457 0.001020543 0.000082284 14 8 -0.005462362 0.004037436 0.007152306 15 6 0.001049684 0.003321580 -0.004271441 16 8 0.003434998 -0.001884828 0.007135791 17 6 -0.000365972 -0.001312074 0.002250304 18 6 -0.000275195 0.002663031 -0.001930203 19 6 -0.003536672 -0.000096299 0.003381606 20 6 0.001896739 -0.004140318 -0.002693175 21 6 -0.004171802 -0.004232762 0.005018222 22 1 -0.000100220 -0.000401527 0.000280770 23 8 0.002331938 0.002073836 -0.004117738 24 8 0.003679459 0.005958773 0.003683871 25 1 -0.000470011 0.000372027 -0.001058868 26 1 0.001032745 -0.000186594 -0.000453348 27 6 0.002401789 -0.002968568 0.001943585 28 6 -0.003822528 -0.002362226 -0.000951034 29 1 -0.000009655 0.000682160 -0.000624023 30 1 -0.000284269 0.000729497 0.000471568 31 1 -0.000734027 -0.000238148 -0.000459318 32 1 0.000148822 -0.000237085 -0.000511501 33 1 0.000007220 0.001213396 0.000128788 34 1 -0.000308084 0.000160584 -0.000333454 ------------------------------------------------------------------- Cartesian Forces: Max 0.011884651 RMS 0.003323546 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.011434017 RMS 0.002276376 Search for a local minimum. Step number 11 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 10 11 DE= -2.93D-03 DEPred=-2.45D-03 R= 1.19D+00 TightC=F SS= 1.41D+00 RLast= 1.12D+00 DXNew= 3.0802D+00 3.3574D+00 Trust test= 1.19D+00 RLast= 1.12D+00 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00101 0.00836 0.01115 0.01170 0.01588 Eigenvalues --- 0.01633 0.01781 0.01805 0.01990 0.02400 Eigenvalues --- 0.02549 0.02634 0.02676 0.02723 0.02772 Eigenvalues --- 0.02866 0.03684 0.04701 0.05055 0.09424 Eigenvalues --- 0.09861 0.10016 0.10390 0.10429 0.10447 Eigenvalues --- 0.10492 0.10613 0.10826 0.10864 0.10973 Eigenvalues --- 0.12194 0.13671 0.15875 0.15927 0.15980 Eigenvalues --- 0.15997 0.15999 0.16000 0.16000 0.16000 Eigenvalues --- 0.16000 0.16007 0.16041 0.16046 0.16083 Eigenvalues --- 0.16297 0.16639 0.18617 0.19233 0.20033 Eigenvalues --- 0.22177 0.23337 0.23547 0.24388 0.24781 Eigenvalues --- 0.24933 0.25105 0.25370 0.26372 0.28712 Eigenvalues --- 0.31047 0.32810 0.33453 0.33484 0.33557 Eigenvalues --- 0.33662 0.33722 0.34186 0.34799 0.34831 Eigenvalues --- 0.34854 0.34860 0.34888 0.35232 0.37082 Eigenvalues --- 0.38367 0.38747 0.39175 0.39541 0.39820 Eigenvalues --- 0.40812 0.42510 0.44823 0.44915 0.46940 Eigenvalues --- 0.48736 0.49607 0.52834 0.54406 0.60322 Eigenvalues --- 0.63004 0.72882 0.85944 0.87134 0.91767 Eigenvalues --- 1.30283 RFO step: Lambda=-2.70618057D-03 EMin= 1.00573013D-03 Quartic linear search produced a step of 0.33075. Iteration 1 RMS(Cart)= 0.18081213 RMS(Int)= 0.01256278 Iteration 2 RMS(Cart)= 0.03168333 RMS(Int)= 0.00047369 Iteration 3 RMS(Cart)= 0.00087161 RMS(Int)= 0.00005402 Iteration 4 RMS(Cart)= 0.00000068 RMS(Int)= 0.00005402 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03919 -0.00030 0.00039 -0.00038 0.00001 2.03920 R2 2.04300 -0.00164 0.00155 -0.00152 0.00002 2.04302 R3 2.03301 0.00132 -0.00107 0.00167 0.00060 2.03361 R4 2.69673 0.00228 -0.00241 -0.00088 -0.00329 2.69344 R5 2.98031 -0.00661 0.00261 -0.00875 -0.00614 2.97417 R6 4.00990 0.00695 -0.00861 0.00922 0.00061 4.01051 R7 2.73237 0.00042 -0.00036 -0.00027 -0.00064 2.73174 R8 2.96522 -0.00024 0.00064 -0.00103 -0.00040 2.96482 R9 2.70942 0.00943 -0.00371 0.00209 -0.00162 2.70780 R10 3.32044 0.00028 -0.00815 -0.01294 -0.02110 3.29934 R11 2.70896 0.00679 -0.00138 0.00236 0.00098 2.70994 R12 2.69670 0.00342 -0.00023 0.00393 0.00370 2.70039 R13 2.03740 0.00014 -0.00026 0.00042 0.00016 2.03756 R14 2.03688 -0.00022 0.00024 -0.00017 0.00007 2.03694 R15 2.04181 -0.00051 -0.00043 -0.00136 -0.00179 2.04002 R16 2.61334 -0.00031 -0.00077 -0.00235 -0.00311 2.61023 R17 2.63037 -0.00325 0.00370 0.00116 0.00487 2.63525 R18 2.60940 0.00134 0.00055 0.00168 0.00222 2.61162 R19 2.02917 -0.00114 0.00030 -0.00060 -0.00030 2.02887 R20 2.62797 -0.00049 -0.00099 -0.00422 -0.00522 2.62275 R21 2.02619 -0.00033 0.00010 0.00063 0.00073 2.02692 R22 2.64872 0.00041 0.00014 0.00133 0.00146 2.65018 R23 2.52829 0.00355 -0.00510 -0.00453 -0.00962 2.51867 R24 2.60128 0.00217 -0.00360 -0.00192 -0.00551 2.59576 R25 2.55138 -0.00165 0.00109 0.00084 0.00194 2.55332 R26 2.02818 -0.00095 0.00064 -0.00022 0.00042 2.02861 R27 2.65888 -0.00261 0.00222 -0.00260 -0.00037 2.65851 R28 2.65847 0.00021 -0.00079 -0.00037 -0.00117 2.65731 R29 2.03691 0.00072 -0.00032 0.00074 0.00042 2.03733 R30 2.04525 0.00090 -0.00057 0.00099 0.00041 2.04566 R31 2.04570 0.00089 -0.00046 0.00102 0.00056 2.04626 R32 2.04054 0.00025 0.00008 0.00054 0.00061 2.04116 R33 2.03617 0.00111 -0.00077 0.00194 0.00117 2.03734 R34 2.04849 0.00033 0.00152 0.00133 0.00285 2.05134 A1 1.91866 0.00138 -0.00287 0.00329 0.00042 1.91908 A2 1.92250 0.00017 0.00028 -0.00027 -0.00000 1.92249 A3 1.85509 -0.00055 0.00182 -0.00048 0.00133 1.85642 A4 1.92019 0.00053 -0.00165 -0.00097 -0.00262 1.91757 A5 1.90605 -0.00028 -0.00002 0.00146 0.00144 1.90749 A6 1.94033 -0.00126 0.00252 -0.00292 -0.00040 1.93993 A7 2.17696 0.00951 -0.00405 0.02791 0.02386 2.20082 A8 1.75991 0.00525 -0.01035 0.01788 0.00759 1.76750 A9 2.02401 -0.00009 0.00636 0.00671 0.01310 2.03712 A10 1.86704 -0.00324 -0.00091 -0.01613 -0.01704 1.85000 A11 1.99422 -0.00332 0.00199 -0.01579 -0.01380 1.98043 A12 1.74053 0.00121 0.00367 0.00490 0.00859 1.74912 A13 2.03809 0.00086 -0.00228 0.00362 0.00136 2.03945 A14 1.84874 0.00085 -0.00013 0.00181 0.00169 1.85042 A15 1.83059 0.00052 0.00142 0.00425 0.00568 1.83627 A16 1.84948 0.00025 -0.00435 -0.00346 -0.00781 1.84167 A17 1.89480 0.00004 -0.00097 -0.00179 -0.00277 1.89203 A18 2.12971 -0.00300 0.00676 -0.00259 0.00418 2.13389 A19 1.88826 0.00178 -0.00327 0.00283 -0.00043 1.88783 A20 2.12763 0.00277 -0.00430 -0.00273 -0.00702 2.12060 A21 1.92807 -0.00054 0.00213 -0.00036 0.00177 1.92984 A22 1.85219 -0.00074 0.00056 -0.00143 -0.00087 1.85133 A23 1.92147 -0.00094 -0.00099 -0.00470 -0.00569 1.91578 A24 1.92659 0.00016 -0.00059 -0.00172 -0.00231 1.92428 A25 1.91325 0.00116 -0.00123 0.00410 0.00287 1.91611 A26 1.92162 0.00084 0.00019 0.00389 0.00408 1.92570 A27 2.09011 0.00039 0.00249 0.00611 0.00841 2.09852 A28 2.09561 -0.00276 0.00073 -0.00706 -0.00651 2.08910 A29 2.09687 0.00238 -0.00342 0.00065 -0.00288 2.09398 A30 2.07688 0.00036 0.00181 0.00367 0.00550 2.08238 A31 2.10628 -0.00018 -0.00063 0.00029 -0.00035 2.10593 A32 2.09984 -0.00018 -0.00122 -0.00396 -0.00519 2.09465 A33 2.11915 -0.00223 0.00019 -0.00575 -0.00557 2.11358 A34 2.07462 0.00075 -0.00072 0.00241 0.00169 2.07631 A35 2.08920 0.00148 0.00050 0.00342 0.00392 2.09312 A36 2.08182 0.00125 -0.00125 0.00388 0.00262 2.08443 A37 2.15145 0.00244 0.00350 0.00241 0.00592 2.15736 A38 2.04980 -0.00368 -0.00228 -0.00620 -0.00848 2.04133 A39 2.07857 0.00040 0.00115 0.00082 0.00193 2.08050 A40 2.19494 -0.00644 -0.00659 -0.02101 -0.02764 2.16730 A41 2.00883 0.00604 0.00522 0.01996 0.02510 2.03393 A42 2.11273 -0.00216 0.00142 -0.00326 -0.00181 2.11092 A43 2.10261 0.00154 -0.00133 0.00251 0.00115 2.10376 A44 2.06779 0.00062 -0.00011 0.00071 0.00057 2.06836 A45 2.10842 -0.00135 0.00200 -0.00844 -0.00644 2.10198 A46 2.16502 -0.01143 -0.00507 -0.02813 -0.03320 2.13182 A47 1.84316 0.00082 -0.00039 0.00229 0.00189 1.84505 A48 1.93967 0.00005 -0.00035 -0.00027 -0.00062 1.93905 A49 1.94060 0.00004 -0.00004 0.00009 0.00006 1.94066 A50 1.91047 -0.00039 0.00022 -0.00043 -0.00021 1.91025 A51 1.91163 -0.00034 0.00033 -0.00016 0.00016 1.91179 A52 1.91682 -0.00017 0.00023 -0.00139 -0.00116 1.91566 A53 1.83647 0.00094 0.00297 0.00684 0.00981 1.84628 A54 1.95254 -0.00098 0.00052 -0.00509 -0.00459 1.94796 A55 1.94006 0.00015 -0.00197 0.00051 -0.00148 1.93858 A56 1.91518 0.00010 0.00050 0.00025 0.00074 1.91593 A57 1.90633 -0.00014 -0.00110 -0.00180 -0.00290 1.90343 A58 1.91160 -0.00003 -0.00078 -0.00045 -0.00124 1.91036 D1 -2.70020 0.00005 0.02004 -0.02277 -0.00273 -2.70294 D2 1.51393 -0.00113 0.02242 -0.02714 -0.00472 1.50921 D3 -0.60805 -0.00079 0.02287 -0.02502 -0.00214 -0.61019 D4 -1.62046 0.00020 -0.04789 0.03428 -0.01359 -1.63405 D5 2.49930 0.00062 -0.04662 0.03738 -0.00926 2.49004 D6 0.19088 0.00252 -0.04798 0.04165 -0.00632 0.18456 D7 0.71826 -0.00007 0.05589 0.01734 0.07324 0.79150 D8 -1.28423 -0.00070 0.05640 0.01673 0.07314 -1.21109 D9 3.00350 -0.00302 0.06130 0.01317 0.07448 3.07798 D10 2.90197 0.00159 0.05770 0.02914 0.08683 2.98880 D11 0.89948 0.00096 0.05822 0.02853 0.08673 0.98621 D12 -1.09598 -0.00136 0.06311 0.02497 0.08807 -1.00791 D13 -1.19347 0.00169 0.05841 0.02849 0.08690 -1.10656 D14 3.08723 0.00107 0.05893 0.02788 0.08680 -3.10915 D15 1.09178 -0.00126 0.06382 0.02432 0.08814 1.17992 D16 2.34045 -0.00104 0.12747 0.10383 0.23134 2.57179 D17 -2.11748 0.00421 0.11743 0.12071 0.23810 -1.87938 D18 0.03977 0.00142 0.12131 0.10655 0.22785 0.26762 D19 1.51293 0.00047 0.04135 0.02551 0.06682 1.57975 D20 -1.59152 0.00021 0.05516 0.03493 0.09012 -1.50140 D21 -0.45715 -0.00076 0.04123 0.02219 0.06339 -0.39376 D22 2.72159 -0.00102 0.05505 0.03160 0.08669 2.80828 D23 -2.80214 0.00176 0.03567 0.02477 0.06041 -2.74173 D24 0.37660 0.00149 0.04949 0.03419 0.08371 0.46031 D25 0.88632 0.00048 -0.02255 -0.00140 -0.02395 0.86236 D26 2.97488 -0.00006 -0.02177 -0.00450 -0.02627 2.94861 D27 -1.22923 0.00000 -0.02175 -0.00320 -0.02495 -1.25418 D28 -3.11949 -0.00016 0.00753 0.00367 0.01124 -3.10825 D29 0.04281 -0.00018 0.00956 0.00398 0.01357 0.05638 D30 -0.01508 -0.00001 -0.00631 -0.00593 -0.01220 -0.02727 D31 -3.13596 -0.00003 -0.00428 -0.00561 -0.00987 3.13736 D32 3.11386 0.00031 -0.00993 -0.00166 -0.01147 3.10239 D33 -0.03948 0.00033 -0.01272 -0.00592 -0.01858 -0.05805 D34 0.00956 0.00009 0.00395 0.00767 0.01152 0.02108 D35 3.13941 0.00011 0.00116 0.00342 0.00441 -3.13936 D36 -0.00065 0.00001 0.00255 0.00363 0.00623 0.00559 D37 -3.11952 -0.00013 0.00489 -0.00105 0.00384 -3.11568 D38 3.12031 0.00002 0.00054 0.00337 0.00398 3.12429 D39 0.00144 -0.00012 0.00288 -0.00130 0.00158 0.00302 D40 0.02177 -0.00011 0.00357 -0.00288 0.00066 0.02242 D41 -3.10327 -0.00024 0.00572 -0.00969 -0.00406 -3.10733 D42 3.14045 0.00002 0.00120 0.00182 0.00304 -3.13969 D43 0.01542 -0.00010 0.00335 -0.00499 -0.00167 0.01375 D44 -0.02696 0.00017 -0.00593 0.00437 -0.00155 -0.02851 D45 -3.12205 0.00006 0.00219 0.00992 0.01187 -3.11018 D46 3.09903 0.00034 -0.00792 0.01086 0.00298 3.10202 D47 0.00395 0.00023 0.00020 0.01641 0.01640 0.02035 D48 -0.04905 0.00023 -0.00448 0.00413 -0.00033 -0.04938 D49 3.10882 0.00007 -0.00237 -0.00265 -0.00503 3.10379 D50 0.01168 -0.00018 0.00225 -0.00689 -0.00460 0.00708 D51 -3.11840 -0.00021 0.00498 -0.00274 0.00236 -3.11604 D52 3.11160 -0.00040 -0.00517 -0.01289 -0.01834 3.09326 D53 -0.01847 -0.00042 -0.00243 -0.00873 -0.01138 -0.02986 D54 -0.66223 -0.00158 -0.12112 -0.13401 -0.25511 -0.91734 D55 2.52423 -0.00156 -0.11325 -0.12825 -0.24152 2.28271 D56 -3.11788 -0.00003 0.00153 -0.00132 0.00020 -3.11767 D57 1.09518 -0.00007 0.00169 -0.00202 -0.00033 1.09484 D58 -1.04586 0.00008 0.00166 -0.00011 0.00156 -1.04430 D59 -2.84011 0.00027 0.05490 0.03803 0.09293 -2.74719 D60 1.36446 0.00010 0.05223 0.03627 0.08851 1.45297 D61 -0.77864 0.00073 0.05431 0.04015 0.09445 -0.68419 Item Value Threshold Converged? Maximum Force 0.011434 0.000450 NO RMS Force 0.002276 0.000300 NO Maximum Displacement 0.689532 0.001800 NO RMS Displacement 0.202913 0.001200 NO Predicted change in Energy=-2.122016D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.765937 -0.415080 -1.264242 2 1 0 0.069165 -0.298621 -2.079959 3 1 0 0.688856 0.426618 -0.590131 4 1 0 0.565045 -1.328966 -0.732699 5 8 0 2.066630 -0.434246 -1.846757 6 15 0 3.348532 -1.108553 -1.231056 7 16 0 4.220472 0.526149 -0.195921 8 8 0 4.252930 -1.751907 -2.157253 9 8 0 2.845001 -1.968569 -0.019313 10 6 0 3.489373 -3.189863 0.348422 11 1 0 4.555603 -3.048035 0.423386 12 1 0 3.081307 -3.465651 1.307224 13 1 0 3.272776 -3.952067 -0.384740 14 8 0 3.148533 1.165865 0.507595 15 6 0 4.785237 1.609438 -1.443247 16 8 0 5.364747 -0.013564 0.479217 17 6 0 3.959098 2.605816 -1.925573 18 6 0 4.411356 3.427318 -2.940735 19 6 0 5.676989 3.262725 -3.486028 20 6 0 6.500146 2.228618 -3.017191 21 6 0 6.048453 1.420050 -2.002784 22 1 0 3.774474 4.214503 -3.294567 23 8 0 6.177694 4.048772 -4.438835 24 8 0 7.758765 2.003161 -3.453855 25 1 0 6.697028 0.647124 -1.636285 26 1 0 2.982951 2.758783 -1.505542 27 6 0 5.398635 5.080161 -4.994219 28 6 0 8.063936 1.868849 -4.819941 29 1 0 6.018172 5.541348 -5.746417 30 1 0 5.133929 5.815233 -4.244925 31 1 0 4.500877 4.687706 -5.455235 32 1 0 8.990647 1.315481 -4.860949 33 1 0 8.190820 2.828475 -5.294650 34 1 0 7.292886 1.307928 -5.338792 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.079096 0.000000 3 H 1.081120 1.769060 0.000000 4 H 1.076143 1.767093 1.765709 0.000000 5 O 1.425305 2.015599 2.053888 2.072777 0.000000 6 P 2.674285 3.482940 3.137102 2.836325 1.573865 7 S 3.736446 4.632838 3.554943 4.134213 2.878655 8 O 3.839752 4.429661 4.461442 3.976019 2.571487 9 O 2.878486 3.839303 3.272875 2.473097 2.509892 10 C 4.209182 5.094520 4.669337 3.630903 3.799531 11 H 4.913462 5.827018 5.296429 4.496252 4.263852 12 H 4.612956 5.529565 4.947073 3.880500 4.490722 13 H 4.423578 5.146315 5.088389 3.785966 3.995916 14 O 3.363860 4.280497 2.793117 3.799594 3.045299 15 C 4.503942 5.127126 4.348242 5.191254 3.424952 16 O 4.934563 5.888448 4.816764 5.122124 4.057673 17 C 4.445160 4.857073 4.150517 5.331515 3.581847 18 C 5.555514 5.786033 5.327903 6.503212 4.648248 19 C 6.525413 6.790280 6.427379 7.402460 5.421209 20 C 6.553100 6.973009 6.550490 7.287024 5.302530 21 C 5.640756 6.221870 5.630966 6.264022 4.395188 22 H 5.882734 5.964300 5.584182 6.898815 5.159822 23 O 7.700073 7.859913 7.619702 8.611465 6.611896 24 O 7.716343 8.143447 7.789096 8.381967 6.397197 25 H 6.036931 6.709682 6.102556 6.505583 4.759648 26 H 3.879018 4.262373 3.397035 4.811782 3.339388 27 C 8.097672 8.113412 7.951948 9.088512 7.170597 28 C 8.433275 8.724780 8.623406 9.119481 7.078966 29 H 9.118931 9.107076 9.008294 10.103226 8.156578 30 H 8.171941 8.229102 7.883741 9.178780 7.363119 31 H 7.586345 7.476363 7.507171 8.601945 6.721686 32 H 9.142046 9.483252 9.378150 9.748144 7.751704 33 H 9.049516 9.277621 9.175014 9.810614 7.748486 34 H 7.884909 8.085984 8.181669 8.569314 6.522518 6 7 8 9 10 6 P 0.000000 7 S 2.122271 0.000000 8 O 1.445573 3.006229 0.000000 9 O 1.568914 2.854247 2.569046 0.000000 10 C 2.616571 3.826168 2.988168 1.428987 0.000000 11 H 2.820601 3.642889 2.903663 2.070602 1.078231 12 H 3.474218 4.414930 4.038840 2.014149 1.077904 13 H 2.967753 4.581287 2.990520 2.061745 1.079535 14 O 2.869823 1.432907 4.102986 3.192873 4.371942 15 C 3.081659 1.745938 3.477326 4.312104 5.284188 16 O 2.861670 1.434039 3.347976 3.227955 3.690936 17 C 3.827752 2.717541 4.373758 5.079374 6.243525 18 C 4.962532 3.998403 5.240545 6.332754 7.446859 19 C 5.441937 4.520519 5.379602 6.885107 7.818220 20 C 4.925409 4.006854 4.651241 6.321687 7.053513 21 C 3.778753 2.721273 3.648161 5.067445 5.773073 22 H 5.724896 4.837818 6.092655 7.058441 8.256955 23 O 6.700149 5.851659 6.523665 8.176026 9.085304 24 O 5.837273 5.031423 5.298357 7.191370 7.723505 25 H 3.802504 2.867510 3.464155 4.928951 5.380575 26 H 3.894262 2.869010 4.731162 4.957395 6.251403 27 C 7.527583 6.719432 7.485864 8.997518 10.029078 28 C 6.631746 6.160895 5.892669 8.062822 8.557405 29 H 8.469749 7.693631 8.318037 9.963312 10.944220 30 H 7.759501 6.723336 7.899122 9.147817 10.241834 31 H 7.264173 6.712494 7.239252 8.751981 9.836752 32 H 7.133409 6.718638 6.258179 8.485010 8.814743 33 H 7.447197 6.860132 6.806624 8.911711 9.495697 34 H 6.186340 6.041525 5.359674 7.669157 8.187872 11 12 13 14 15 11 H 0.000000 12 H 1.768933 0.000000 13 H 1.765216 1.770876 0.000000 14 O 4.443409 4.700517 5.196625 0.000000 15 C 5.022859 6.018721 5.859890 2.584829 0.000000 16 O 3.140994 4.220970 4.542528 2.510669 2.581828 17 C 6.151379 6.934278 6.771339 2.941221 1.381273 18 C 7.298515 8.205316 7.892072 4.312757 2.384732 19 C 7.507777 8.659323 8.212883 5.170970 2.775164 20 C 6.592562 7.925510 7.452958 4.978641 2.408650 21 C 5.298933 6.605315 6.259560 3.843975 1.394512 22 H 8.196206 8.980074 8.683989 4.913495 3.351923 23 O 8.754258 9.953460 9.428025 6.477201 4.106438 24 O 7.127961 8.628696 8.062773 6.135828 3.611015 25 H 4.741534 6.217121 5.868937 4.178173 2.149013 26 H 6.317684 6.831171 6.809970 2.572455 2.138482 27 C 9.804525 10.867801 10.360874 7.117207 5.003157 28 C 7.998539 9.530248 8.746959 7.282720 4.713727 29 H 10.676285 11.811226 11.243207 8.154284 5.957962 30 H 10.034197 11.007925 10.666071 6.938650 5.065540 31 H 9.716114 10.687528 10.092761 7.056029 5.064844 32 H 8.162970 9.789069 8.970928 7.935612 5.427022 33 H 8.969064 10.455041 9.709280 7.864794 5.283688 34 H 7.724624 9.202933 8.268704 7.167711 4.642681 16 17 18 19 20 16 O 0.000000 17 C 3.823613 0.000000 18 C 4.944158 1.382012 0.000000 19 C 5.153128 2.411991 1.387899 0.000000 20 C 4.305970 2.791207 2.409517 1.402417 0.000000 21 C 2.946699 2.403624 2.754808 2.394462 1.373619 22 H 5.886167 2.120402 1.072602 2.135908 3.383780 23 O 6.430451 3.649764 2.398011 1.332823 2.331954 24 O 5.026685 4.139603 3.673781 2.433378 1.351158 25 H 2.585890 3.378820 3.828233 3.362052 2.108740 26 H 4.159102 1.073632 2.132383 3.381438 3.864818 27 C 7.477011 4.196575 2.814854 2.378066 3.640504 28 C 6.237802 5.076434 4.393357 3.069158 2.413458 29 H 8.369142 5.239846 3.863008 3.227675 4.319161 30 H 7.506376 4.130373 2.815166 2.717745 4.029602 31 H 7.620101 4.133558 2.814125 2.700294 3.998532 32 H 6.590211 5.966396 5.396016 4.081972 3.230458 33 H 7.028614 5.413662 4.492647 3.127145 2.899143 34 H 6.270031 4.944565 4.306473 3.140874 2.620294 21 22 23 24 25 21 C 0.000000 22 H 3.827356 0.000000 23 O 3.586255 2.666886 0.000000 24 O 2.317497 4.559603 2.766676 0.000000 25 H 1.073492 4.900756 4.437928 2.503934 0.000000 26 H 3.381827 2.438492 4.524893 5.212992 4.274408 27 C 4.771515 2.505210 1.406822 4.172633 5.710811 28 C 3.492845 5.121361 2.907785 1.406186 3.673788 29 H 5.567836 3.578584 1.990728 4.561170 6.427088 30 H 5.018086 2.305132 2.060930 4.695471 5.996469 31 H 4.999199 2.328104 2.062286 4.671846 5.977773 32 H 4.103236 6.169792 3.944840 1.992574 4.013209 33 H 4.172503 5.042372 2.504840 2.063090 4.513684 34 H 3.562322 5.000626 3.092863 2.062372 3.807922 26 27 28 29 30 26 H 0.000000 27 C 4.836857 0.000000 28 C 6.131364 4.176928 0.000000 29 H 5.911028 1.078110 4.304736 0.000000 30 H 4.633876 1.082516 4.948690 1.763910 0.000000 31 H 4.650260 1.082833 4.587477 1.765128 1.771136 32 H 7.030952 5.205106 1.080134 5.241909 5.958316 33 H 6.440815 3.599535 1.078114 3.504878 4.400822 34 H 5.947632 4.235170 1.085522 4.439921 5.115999 31 32 33 34 31 H 0.000000 32 H 5.646514 0.000000 33 H 4.134999 1.765494 0.000000 34 H 4.385405 1.763741 1.766436 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.044907 2.337434 1.146735 2 1 0 2.868345 3.004457 1.976405 3 1 0 2.870902 2.855052 0.213668 4 1 0 4.055022 1.967515 1.176926 5 8 0 2.104004 1.274953 1.278379 6 15 0 2.266170 -0.183163 0.708599 7 16 0 1.277799 -0.010017 -1.161476 8 8 0 1.761637 -1.261308 1.528801 9 8 0 3.755076 -0.296102 0.227043 10 6 0 4.471133 -1.530707 0.297866 11 1 0 3.890001 -2.330922 -0.131696 12 1 0 5.377341 -1.382927 -0.266781 13 1 0 4.703455 -1.759488 1.326983 14 8 0 1.747198 1.211483 -1.745278 15 6 0 -0.413042 0.180136 -0.770072 16 8 0 1.447719 -1.280560 -1.804371 17 6 0 -0.947700 1.440877 -0.589560 18 6 0 -2.279071 1.567652 -0.241224 19 6 0 -3.083247 0.450436 -0.064044 20 6 0 -2.528602 -0.828766 -0.214990 21 6 0 -1.206759 -0.948656 -0.568806 22 1 0 -2.694574 2.549769 -0.125991 23 8 0 -4.380600 0.515150 0.234456 24 8 0 -3.229159 -1.978308 -0.099224 25 1 0 -0.799927 -1.932750 -0.704567 26 1 0 -0.345539 2.317308 -0.737742 27 6 0 -5.001743 1.759393 0.447031 28 6 0 -4.023986 -2.259991 1.026060 29 1 0 -6.027345 1.535558 0.692713 30 1 0 -4.970015 2.368618 -0.447217 31 1 0 -4.540311 2.291844 1.269286 32 1 0 -4.123781 -3.335153 1.053588 33 1 0 -4.998314 -1.805124 0.947884 34 1 0 -3.540917 -1.925358 1.938761 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6261062 0.1820037 0.1681750 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.1149591255 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.65D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999785 -0.018904 0.001264 -0.008433 Ang= -2.38 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.61725469 A.U. after 14 cycles NFock= 14 Conv=0.40D-08 -V/T= 2.0012 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.004784957 0.006309258 0.001303925 2 1 0.000839092 -0.000462020 -0.000251828 3 1 0.001115820 -0.001352699 -0.000477982 4 1 0.000510357 -0.001617625 -0.000163403 5 8 0.005497979 -0.009965227 0.003826858 6 15 -0.007416739 0.003646759 -0.003866256 7 16 0.007240296 -0.001234929 -0.010472461 8 8 0.000553791 0.000958673 -0.001212426 9 8 -0.002597136 0.000382567 -0.003625413 10 6 0.001949220 -0.003960336 0.001981486 11 1 0.000088159 0.000844855 0.000616007 12 1 -0.000064933 0.000534649 -0.000128274 13 1 -0.000412327 0.000568565 -0.000139490 14 8 -0.006703280 0.004260286 0.008270573 15 6 0.003096068 0.003993918 -0.008610060 16 8 0.003058631 -0.002348670 0.008734776 17 6 -0.001404364 -0.000255245 0.002363927 18 6 -0.001563004 0.002733997 -0.001260947 19 6 -0.002447474 -0.001788077 0.003877633 20 6 0.001195141 -0.003720685 -0.001802975 21 6 -0.002075689 -0.003635629 0.004777158 22 1 0.000000479 -0.000735616 0.000568543 23 8 0.002583167 0.003671323 -0.006063634 24 8 0.003542195 0.005621801 0.004008994 25 1 -0.000657634 0.000447296 -0.000891816 26 1 0.000927542 -0.000520528 -0.000028618 27 6 0.002421267 -0.002084993 0.001130982 28 6 -0.004261908 -0.002907319 -0.001752881 29 1 -0.000039502 0.000521176 -0.000412825 30 1 -0.000101170 0.000628995 0.000356728 31 1 -0.000490574 -0.000220994 -0.000411327 32 1 0.000168002 0.000073675 -0.000366119 33 1 0.000000171 0.001337025 -0.000050560 34 1 0.000233314 0.000275776 0.000171705 ------------------------------------------------------------------- Cartesian Forces: Max 0.010472461 RMS 0.003284775 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.011525275 RMS 0.002295395 Search for a local minimum. Step number 12 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 11 12 DE= -2.64D-03 DEPred=-2.12D-03 R= 1.24D+00 TightC=F SS= 1.41D+00 RLast= 6.46D-01 DXNew= 5.0454D+00 1.9383D+00 Trust test= 1.24D+00 RLast= 6.46D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00199 0.00739 0.00837 0.01153 0.01506 Eigenvalues --- 0.01644 0.01790 0.01802 0.01951 0.02400 Eigenvalues --- 0.02550 0.02640 0.02689 0.02730 0.02766 Eigenvalues --- 0.02866 0.03692 0.04678 0.05057 0.09513 Eigenvalues --- 0.09873 0.10031 0.10272 0.10428 0.10459 Eigenvalues --- 0.10480 0.10567 0.10771 0.10843 0.10942 Eigenvalues --- 0.12189 0.13447 0.15405 0.15885 0.15985 Eigenvalues --- 0.15997 0.15999 0.16000 0.16000 0.16000 Eigenvalues --- 0.16003 0.16014 0.16038 0.16045 0.16080 Eigenvalues --- 0.16181 0.16604 0.17657 0.19227 0.19448 Eigenvalues --- 0.22145 0.22915 0.23629 0.23857 0.24481 Eigenvalues --- 0.24898 0.25098 0.25244 0.25552 0.26569 Eigenvalues --- 0.29278 0.32808 0.33441 0.33470 0.33491 Eigenvalues --- 0.33608 0.33719 0.33832 0.34768 0.34800 Eigenvalues --- 0.34832 0.34860 0.34883 0.35055 0.35366 Eigenvalues --- 0.37086 0.38596 0.39028 0.39318 0.39694 Eigenvalues --- 0.40033 0.42590 0.44516 0.45025 0.46652 Eigenvalues --- 0.47932 0.49287 0.52649 0.53624 0.60467 Eigenvalues --- 0.62362 0.72725 0.80009 0.86836 0.88437 Eigenvalues --- 1.29491 RFO step: Lambda=-4.08032810D-03 EMin= 1.98687731D-03 Quartic linear search produced a step of 0.81123. Iteration 1 RMS(Cart)= 0.14271642 RMS(Int)= 0.01328695 Iteration 2 RMS(Cart)= 0.03673229 RMS(Int)= 0.00054554 Iteration 3 RMS(Cart)= 0.00098505 RMS(Int)= 0.00012443 Iteration 4 RMS(Cart)= 0.00000085 RMS(Int)= 0.00012443 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03920 -0.00040 0.00001 -0.00189 -0.00189 2.03731 R2 2.04302 -0.00143 0.00002 -0.00569 -0.00568 2.03734 R3 2.03361 0.00120 0.00049 0.00527 0.00576 2.03938 R4 2.69344 0.00232 -0.00267 0.00212 -0.00055 2.69288 R5 2.97417 -0.00728 -0.00498 -0.03158 -0.03657 2.93761 R6 4.01051 0.00615 0.00050 0.03628 0.03678 4.04729 R7 2.73174 0.00070 -0.00052 0.00006 -0.00046 2.73128 R8 2.96482 0.00023 -0.00032 -0.00235 -0.00267 2.96215 R9 2.70780 0.01098 -0.00132 0.01498 0.01367 2.72147 R10 3.29934 0.00564 -0.01711 -0.00218 -0.01929 3.28005 R11 2.70994 0.00744 0.00080 0.00829 0.00909 2.71903 R12 2.70039 0.00302 0.00300 0.01051 0.01351 2.71391 R13 2.03756 0.00024 0.00013 0.00134 0.00147 2.03903 R14 2.03694 -0.00023 0.00005 -0.00087 -0.00082 2.03613 R15 2.04002 -0.00022 -0.00145 -0.00107 -0.00251 2.03751 R16 2.61023 0.00056 -0.00253 -0.00511 -0.00763 2.60260 R17 2.63525 -0.00229 0.00395 -0.00619 -0.00224 2.63301 R18 2.61162 0.00180 0.00180 0.00385 0.00566 2.61728 R19 2.02887 -0.00093 -0.00025 -0.00201 -0.00225 2.02662 R20 2.62275 0.00156 -0.00424 -0.00073 -0.00497 2.61778 R21 2.02692 -0.00073 0.00060 -0.00221 -0.00161 2.02531 R22 2.65018 0.00087 0.00119 0.00809 0.00926 2.65945 R23 2.51867 0.00699 -0.00781 0.00598 -0.00182 2.51685 R24 2.59576 0.00210 -0.00447 0.00253 -0.00195 2.59381 R25 2.55332 -0.00168 0.00157 0.00036 0.00193 2.55525 R26 2.02861 -0.00102 0.00034 -0.00195 -0.00160 2.02700 R27 2.65851 -0.00210 -0.00030 -0.00716 -0.00746 2.65105 R28 2.65731 0.00122 -0.00095 0.00524 0.00429 2.66159 R29 2.03733 0.00049 0.00034 0.00235 0.00269 2.04003 R30 2.04566 0.00070 0.00033 0.00304 0.00337 2.04903 R31 2.04626 0.00066 0.00046 0.00286 0.00332 2.04957 R32 2.04116 0.00012 0.00050 0.00136 0.00186 2.04302 R33 2.03734 0.00121 0.00095 0.00492 0.00587 2.04321 R34 2.05134 -0.00039 0.00231 -0.00236 -0.00004 2.05130 A1 1.91908 0.00143 0.00034 0.01554 0.01585 1.93493 A2 1.92249 0.00043 -0.00000 0.00262 0.00252 1.92502 A3 1.85642 -0.00073 0.00108 -0.00705 -0.00603 1.85039 A4 1.91757 0.00088 -0.00212 0.00565 0.00348 1.92105 A5 1.90749 -0.00054 0.00117 -0.00018 0.00095 1.90844 A6 1.93993 -0.00150 -0.00033 -0.01667 -0.01707 1.92286 A7 2.20082 0.00453 0.01936 0.04404 0.06340 2.26421 A8 1.76750 0.00403 0.00616 0.04044 0.04695 1.81445 A9 2.03712 -0.00028 0.01063 -0.00061 0.01050 2.04761 A10 1.85000 -0.00276 -0.01382 -0.02375 -0.03798 1.81202 A11 1.98043 -0.00263 -0.01119 -0.03497 -0.04618 1.93425 A12 1.74912 0.00144 0.00697 0.01021 0.01756 1.76667 A13 2.03945 0.00082 0.00110 0.01350 0.01468 2.05413 A14 1.85042 0.00060 0.00137 0.00730 0.00867 1.85909 A15 1.83627 0.00033 0.00460 0.00722 0.01176 1.84802 A16 1.84167 0.00046 -0.00634 0.00534 -0.00107 1.84059 A17 1.89203 0.00059 -0.00224 -0.00209 -0.00442 1.88761 A18 2.13389 -0.00376 0.00339 -0.02383 -0.02042 2.11347 A19 1.88783 0.00222 -0.00035 0.01042 0.01003 1.89786 A20 2.12060 0.00275 -0.00570 0.00631 0.00061 2.12121 A21 1.92984 -0.00071 0.00144 -0.00770 -0.00629 1.92355 A22 1.85133 -0.00063 -0.00070 -0.00369 -0.00442 1.84690 A23 1.91578 -0.00053 -0.00461 -0.00600 -0.01064 1.90515 A24 1.92428 0.00010 -0.00187 -0.00146 -0.00337 1.92091 A25 1.91611 0.00109 0.00232 0.01235 0.01465 1.93077 A26 1.92570 0.00060 0.00331 0.00584 0.00912 1.93483 A27 2.09852 -0.00101 0.00682 0.00175 0.00850 2.10702 A28 2.08910 -0.00130 -0.00528 -0.01294 -0.01829 2.07081 A29 2.09398 0.00233 -0.00234 0.01191 0.00951 2.10349 A30 2.08238 0.00030 0.00446 0.00158 0.00605 2.08843 A31 2.10593 -0.00068 -0.00028 -0.00071 -0.00100 2.10493 A32 2.09465 0.00037 -0.00421 -0.00081 -0.00502 2.08962 A33 2.11358 -0.00198 -0.00452 -0.00952 -0.01407 2.09951 A34 2.07631 0.00041 0.00137 -0.00091 0.00045 2.07676 A35 2.09312 0.00157 0.00318 0.01059 0.01376 2.10688 A36 2.08443 0.00037 0.00212 0.00556 0.00764 2.09207 A37 2.15736 0.00336 0.00480 0.00799 0.01279 2.17015 A38 2.04133 -0.00373 -0.00688 -0.01350 -0.02037 2.02096 A39 2.08050 0.00124 0.00157 0.00140 0.00291 2.08341 A40 2.16730 -0.00638 -0.02242 -0.02436 -0.04680 2.12050 A41 2.03393 0.00514 0.02036 0.02386 0.04421 2.07814 A42 2.11092 -0.00226 -0.00147 -0.01032 -0.01181 2.09911 A43 2.10376 0.00138 0.00093 0.00748 0.00841 2.11217 A44 2.06836 0.00087 0.00046 0.00294 0.00340 2.07176 A45 2.10198 0.00123 -0.00522 -0.00023 -0.00546 2.09653 A46 2.13182 -0.01153 -0.02693 -0.04093 -0.06786 2.06397 A47 1.84505 0.00060 0.00154 0.00567 0.00720 1.85225 A48 1.93905 0.00011 -0.00051 0.00412 0.00361 1.94265 A49 1.94066 -0.00006 0.00005 0.00259 0.00262 1.94328 A50 1.91025 -0.00036 -0.00017 -0.00531 -0.00549 1.90476 A51 1.91179 -0.00029 0.00013 -0.00462 -0.00450 1.90729 A52 1.91566 -0.00000 -0.00094 -0.00247 -0.00342 1.91224 A53 1.84628 0.00077 0.00796 0.00896 0.01692 1.86320 A54 1.94796 -0.00105 -0.00372 -0.00902 -0.01274 1.93522 A55 1.93858 0.00010 -0.00120 0.00229 0.00106 1.93964 A56 1.91593 0.00002 0.00060 -0.00289 -0.00225 1.91367 A57 1.90343 0.00003 -0.00235 -0.00067 -0.00306 1.90037 A58 1.91036 0.00017 -0.00101 0.00154 0.00051 1.91087 D1 -2.70294 -0.00000 -0.00222 -0.06331 -0.06559 -2.76853 D2 1.50921 -0.00100 -0.00383 -0.07766 -0.08147 1.42774 D3 -0.61019 -0.00077 -0.00174 -0.07383 -0.07552 -0.68571 D4 -1.63405 0.00007 -0.01102 0.12565 0.11533 -1.51872 D5 2.49004 0.00056 -0.00751 0.14017 0.13234 2.62237 D6 0.18456 0.00224 -0.00513 0.14404 0.13851 0.32307 D7 0.79150 0.00024 0.05942 -0.05677 0.00305 0.79455 D8 -1.21109 -0.00082 0.05933 -0.06075 -0.00107 -1.21216 D9 3.07798 -0.00365 0.06042 -0.07777 -0.01698 3.06100 D10 2.98880 0.00117 0.07044 -0.04960 0.02071 3.00951 D11 0.98621 0.00010 0.07036 -0.05358 0.01658 1.00280 D12 -1.00791 -0.00272 0.07144 -0.07060 0.00067 -1.00724 D13 -1.10656 0.00171 0.07050 -0.04499 0.02533 -1.08123 D14 -3.10915 0.00065 0.07042 -0.04897 0.02121 -3.08794 D15 1.17992 -0.00218 0.07150 -0.06600 0.00529 1.18521 D16 2.57179 -0.00083 0.18767 0.01336 0.20129 2.77308 D17 -1.87938 0.00327 0.19316 0.05403 0.24696 -1.63242 D18 0.26762 0.00147 0.18484 0.02517 0.20998 0.47759 D19 1.57975 0.00037 0.05421 -0.00538 0.04877 1.62852 D20 -1.50140 -0.00027 0.07310 -0.01950 0.05356 -1.44784 D21 -0.39376 -0.00072 0.05142 -0.01624 0.03518 -0.35858 D22 2.80828 -0.00136 0.07032 -0.03037 0.03997 2.84825 D23 -2.74173 0.00200 0.04901 0.00854 0.05759 -2.68414 D24 0.46031 0.00136 0.06791 -0.00558 0.06237 0.52268 D25 0.86236 0.00072 -0.01943 0.03802 0.01857 0.88094 D26 2.94861 0.00008 -0.02131 0.02989 0.00859 2.95720 D27 -1.25418 0.00016 -0.02024 0.03153 0.01130 -1.24288 D28 -3.10825 -0.00027 0.00912 -0.00376 0.00545 -3.10280 D29 0.05638 -0.00034 0.01101 -0.00685 0.00424 0.06062 D30 -0.02727 0.00024 -0.00989 0.00955 -0.00039 -0.02766 D31 3.13736 0.00018 -0.00800 0.00645 -0.00160 3.13576 D32 3.10239 0.00032 -0.00931 0.01012 0.00090 3.10329 D33 -0.05805 0.00048 -0.01507 0.01607 0.00111 -0.05695 D34 0.02108 -0.00020 0.00934 -0.00362 0.00571 0.02679 D35 -3.13936 -0.00004 0.00358 0.00233 0.00592 -3.13345 D36 0.00559 -0.00006 0.00506 -0.00007 0.00497 0.01055 D37 -3.11568 -0.00021 0.00311 -0.00962 -0.00646 -3.12214 D38 3.12429 -0.00001 0.00323 0.00301 0.00622 3.13051 D39 0.00302 -0.00016 0.00128 -0.00654 -0.00521 -0.00219 D40 0.02242 -0.00026 0.00053 -0.01558 -0.01498 0.00744 D41 -3.10733 -0.00030 -0.00329 -0.01990 -0.02321 -3.13054 D42 -3.13969 -0.00012 0.00247 -0.00607 -0.00351 3.13998 D43 0.01375 -0.00016 -0.00135 -0.01039 -0.01174 0.00200 D44 -0.02851 0.00029 -0.00126 0.02126 0.02011 -0.00840 D45 -3.11018 -0.00007 0.00963 0.00202 0.01176 -3.09841 D46 3.10202 0.00037 0.00242 0.02544 0.02786 3.12988 D47 0.02035 0.00001 0.01331 0.00620 0.01952 0.03987 D48 -0.04938 0.00036 -0.00027 0.01365 0.01335 -0.03603 D49 3.10379 0.00029 -0.00408 0.00931 0.00526 3.10905 D50 0.00708 -0.00008 -0.00374 -0.01193 -0.01560 -0.00852 D51 -3.11604 -0.00024 0.00191 -0.01781 -0.01586 -3.13190 D52 3.09326 -0.00012 -0.01488 0.00428 -0.01051 3.08275 D53 -0.02986 -0.00029 -0.00923 -0.00160 -0.01077 -0.04062 D54 -0.91734 -0.00116 -0.20695 -0.04026 -0.24724 -1.16459 D55 2.28271 -0.00140 -0.19593 -0.05838 -0.25428 2.02843 D56 -3.11767 -0.00001 0.00017 -0.00279 -0.00262 -3.12030 D57 1.09484 0.00001 -0.00027 -0.00200 -0.00227 1.09257 D58 -1.04430 -0.00003 0.00126 -0.00356 -0.00229 -1.04659 D59 -2.74719 -0.00026 0.07538 -0.03950 0.03583 -2.71136 D60 1.45297 -0.00019 0.07180 -0.03658 0.03527 1.48824 D61 -0.68419 0.00027 0.07662 -0.03382 0.04281 -0.64138 Item Value Threshold Converged? Maximum Force 0.011525 0.000450 NO RMS Force 0.002295 0.000300 NO Maximum Displacement 0.759698 0.001800 NO RMS Displacement 0.168249 0.001200 NO Predicted change in Energy=-3.418376D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.763613 -0.441631 -1.424995 2 1 0 0.107039 -0.343061 -2.274400 3 1 0 0.706256 0.429384 -0.792241 4 1 0 0.514547 -1.326781 -0.860079 5 8 0 2.080919 -0.552709 -1.956999 6 15 0 3.366015 -1.144396 -1.312831 7 16 0 4.208128 0.502511 -0.233219 8 8 0 4.343995 -1.730279 -2.201244 9 8 0 2.822738 -2.031845 -0.140506 10 6 0 3.609125 -3.091614 0.426041 11 1 0 4.592926 -2.729895 0.682084 12 1 0 3.086377 -3.401998 1.315615 13 1 0 3.674790 -3.901342 -0.282868 14 8 0 3.121392 1.124028 0.478626 15 6 0 4.775368 1.618448 -1.435584 16 8 0 5.342581 -0.038168 0.467474 17 6 0 3.974026 2.650081 -1.871893 18 6 0 4.431222 3.500000 -2.865295 19 6 0 5.682560 3.308173 -3.427722 20 6 0 6.489410 2.239682 -2.994288 21 6 0 6.027281 1.403980 -2.008371 22 1 0 3.806126 4.310113 -3.184068 23 8 0 6.206252 4.081843 -4.376947 24 8 0 7.735212 2.050950 -3.484949 25 1 0 6.654781 0.598453 -1.679839 26 1 0 3.007992 2.813088 -1.435621 27 6 0 5.464493 5.149801 -4.903554 28 6 0 7.870978 1.695130 -4.840938 29 1 0 6.087076 5.603038 -5.660102 30 1 0 5.238696 5.886621 -4.140785 31 1 0 4.542706 4.803773 -5.358422 32 1 0 8.815480 1.177409 -4.934213 33 1 0 7.874113 2.573517 -5.471386 34 1 0 7.072785 1.028694 -5.152481 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.078097 0.000000 3 H 1.078116 1.775536 0.000000 4 H 1.079192 1.770332 1.767900 0.000000 5 O 1.425013 2.010199 2.052039 2.062994 0.000000 6 P 2.697955 3.491086 3.134026 2.892943 1.554515 7 S 3.765159 4.658363 3.546965 4.169150 2.934267 8 O 3.883595 4.458870 4.458988 4.077524 2.562779 9 O 2.901498 3.844544 3.310876 2.518461 2.457190 10 C 4.306470 5.206874 4.723165 3.787500 3.802675 11 H 4.933515 5.878856 5.221195 4.580411 4.244417 12 H 4.655099 5.578688 4.978706 3.956574 4.454144 13 H 4.663583 5.418156 5.275116 4.116877 4.068966 14 O 3.410892 4.337952 2.816117 3.820240 3.134692 15 C 4.509792 5.132682 4.287824 5.211543 3.499407 16 O 4.971034 5.917917 4.827111 5.170381 4.096494 17 C 4.479415 4.906577 4.095786 5.367233 3.721419 18 C 5.573355 5.815225 5.253723 6.531390 4.772146 19 C 6.501384 6.763734 6.324302 7.401619 5.480990 20 C 6.514360 6.922678 6.447562 7.278290 5.320546 21 C 5.608281 6.178365 5.544557 6.258264 4.405115 22 H 5.910186 6.013548 5.512720 6.928924 5.303684 23 O 7.667996 7.823099 7.512691 8.603318 6.659849 24 O 7.685023 8.086146 7.699765 8.392677 6.409735 25 H 5.987703 6.641753 6.016757 6.486988 4.724638 26 H 3.953549 4.368107 3.375495 4.866933 3.529856 27 C 8.090907 8.110876 7.862954 9.099329 7.255989 28 C 8.170010 8.427342 8.326302 8.893609 6.847968 29 H 9.100188 9.087349 8.911565 10.105231 8.225295 30 H 8.212714 8.284096 7.844565 9.225714 7.497029 31 H 7.567540 7.461651 7.396190 8.604932 6.806024 32 H 8.931320 9.231652 9.136465 9.579929 7.563824 33 H 8.719152 8.891265 8.824391 9.520488 7.462258 34 H 7.474066 7.660724 7.739739 8.184343 6.134384 6 7 8 9 10 6 P 0.000000 7 S 2.141733 0.000000 8 O 1.445330 2.979419 0.000000 9 O 1.567502 2.889786 2.579110 0.000000 10 C 2.621915 3.702860 3.048918 1.436138 0.000000 11 H 2.828215 3.381464 3.061826 2.073039 1.079010 12 H 3.476161 4.347690 4.092010 2.016709 1.077471 13 H 2.959209 4.436309 2.973469 2.059437 1.078204 14 O 2.900846 1.440140 4.101649 3.229868 4.244089 15 C 3.103974 1.735730 3.462122 4.337583 5.197159 16 O 2.880979 1.438849 3.313982 3.270168 3.511428 17 C 3.883334 2.711478 4.408277 5.122850 6.195218 18 C 5.011510 3.995314 5.272987 6.372833 7.413374 19 C 5.446515 4.500060 5.355558 6.892036 7.752929 20 C 4.902538 3.980642 4.581737 6.311458 6.958263 21 C 3.749711 2.696873 3.562896 5.055977 5.655458 22 H 5.783329 4.833936 6.143417 7.102868 8.237552 23 O 6.690989 5.828773 6.479386 8.171461 9.015113 24 O 5.832514 5.041005 5.238888 7.210195 7.665926 25 H 3.740081 2.843945 3.321836 4.896179 5.227557 26 H 3.975543 2.867902 4.797214 5.018467 6.220343 27 C 7.544125 6.707293 7.476195 9.013409 9.988389 28 C 6.387890 6.005821 5.580414 7.840226 8.295625 29 H 8.475306 7.680942 8.293345 9.970621 10.898549 30 H 7.806373 6.731997 7.910719 9.194628 10.203927 31 H 7.289178 6.699291 7.259551 8.769869 9.832026 32 H 6.942756 6.616837 5.993159 8.318167 8.605988 33 H 7.172127 6.720632 6.455867 8.668565 9.222987 34 H 5.762411 5.716840 4.875246 7.249117 7.752019 11 12 13 14 15 11 H 0.000000 12 H 1.767137 0.000000 13 H 1.773807 1.775028 0.000000 14 O 4.130318 4.602899 5.112775 0.000000 15 C 4.840030 5.968808 5.745269 2.577652 0.000000 16 O 2.802399 4.138255 4.274185 2.506892 2.586066 17 C 5.987485 6.897520 6.748014 2.929293 1.377236 18 C 7.170888 8.180843 7.875340 4.306124 2.388042 19 C 7.384855 8.617762 8.117781 5.156514 2.765282 20 C 6.465993 7.873021 7.279153 4.964813 2.398631 21 C 5.136618 6.541805 6.054586 3.835064 1.393329 22 H 8.070185 8.957780 8.709891 4.902583 3.352861 23 O 8.636920 9.906905 9.322072 6.468510 4.094797 24 O 7.077755 8.625064 7.884804 6.152760 3.625967 25 H 4.572508 6.140836 5.574947 4.173732 2.152265 26 H 6.141771 6.797260 6.845220 2.555411 2.133256 27 C 9.697865 10.838209 10.318768 7.117924 4.997215 28 C 7.799375 9.315378 8.348922 7.154194 4.602729 29 H 10.577976 11.779452 11.183336 8.157254 5.953493 30 H 9.895526 10.985591 10.636426 6.964498 5.074454 31 H 9.656416 10.677000 10.114028 7.044983 5.058565 32 H 8.039887 9.636076 8.593918 7.856483 5.362596 33 H 8.761139 10.231939 9.299399 7.751904 5.177072 34 H 7.370132 8.795382 7.717821 6.879823 4.409224 16 17 18 19 20 16 O 0.000000 17 C 3.817363 0.000000 18 C 4.945357 1.385005 0.000000 19 C 5.146469 2.402661 1.385268 0.000000 20 C 4.299723 2.784845 2.416853 1.407319 0.000000 21 C 2.945914 2.405671 2.770383 2.399863 1.372587 22 H 5.882346 2.122663 1.071748 2.141087 3.394512 23 O 6.417853 3.648023 2.402991 1.331858 2.320664 24 O 5.070577 4.136114 3.660610 2.407751 1.352180 25 H 2.595787 3.381200 3.842980 3.367921 2.109207 26 H 4.147498 1.072439 2.131056 3.371482 3.857268 27 C 7.468455 4.202507 2.818509 2.370069 3.628298 28 C 6.129955 4.991333 4.358055 3.064027 2.369680 29 H 8.362097 5.247425 3.869827 3.227004 4.310522 30 H 7.506661 4.149995 2.823978 2.711801 4.022301 31 H 7.617431 4.137351 2.815658 2.695122 3.994164 32 H 6.535815 5.914918 5.375553 4.077360 3.209725 33 H 6.964166 5.307815 4.416286 3.085318 2.857422 34 H 5.976261 4.795150 4.279769 3.178607 2.542560 21 22 23 24 25 21 C 0.000000 22 H 3.842057 0.000000 23 O 3.579544 2.689921 0.000000 24 O 2.348592 4.542253 2.694050 0.000000 25 H 1.072643 4.914667 4.428270 2.556463 0.000000 26 H 3.380789 2.436220 4.526589 5.208379 4.273561 27 C 4.767598 2.532172 1.402874 4.095300 5.702972 28 C 3.392260 5.109440 2.946693 1.408455 3.560110 29 H 5.565142 3.606263 1.993671 4.479394 6.419552 30 H 5.026244 2.335154 2.061349 4.623320 6.002189 31 H 4.998539 2.348205 2.062003 4.613028 5.973068 32 H 4.047956 6.162019 3.943901 2.007591 3.949021 33 H 4.095251 4.979570 2.500921 2.058713 4.445613 34 H 3.334569 5.031244 3.267116 2.065061 3.524071 26 27 28 29 30 26 H 0.000000 27 C 4.849865 0.000000 28 C 6.041080 4.210682 0.000000 29 H 5.925438 1.079535 4.373223 0.000000 30 H 4.662677 1.084300 4.998772 1.763091 0.000000 31 H 4.659028 1.084588 4.583540 1.764912 1.771892 32 H 6.974419 5.197110 1.081120 5.249505 5.966540 33 H 6.326447 3.572946 1.081220 3.522374 4.437633 34 H 5.789789 4.430811 1.085499 4.706796 5.290261 31 32 33 34 31 H 0.000000 32 H 5.620237 0.000000 33 H 4.010621 1.767440 0.000000 34 H 4.549168 1.762595 1.769266 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.967475 2.339974 1.302581 2 1 0 2.767602 2.940024 2.175670 3 1 0 2.723718 2.879725 0.401701 4 1 0 4.003538 2.038456 1.284764 5 8 0 2.124563 1.196043 1.410210 6 15 0 2.254425 -0.200463 0.739818 7 16 0 1.270850 0.038975 -1.147580 8 8 0 1.717986 -1.333816 1.458653 9 8 0 3.756219 -0.264240 0.295287 10 6 0 4.412704 -1.516607 0.044094 11 1 0 3.819384 -2.121021 -0.624425 12 1 0 5.353094 -1.267576 -0.419150 13 1 0 4.569452 -2.027956 0.980296 14 8 0 1.741754 1.282879 -1.699808 15 6 0 -0.417553 0.213199 -0.784674 16 8 0 1.468151 -1.204898 -1.843382 17 6 0 -0.978264 1.461233 -0.627215 18 6 0 -2.317492 1.573592 -0.292429 19 6 0 -3.088300 0.438109 -0.104007 20 6 0 -2.506117 -0.835414 -0.244541 21 6 0 -1.178357 -0.935591 -0.577728 22 1 0 -2.747205 2.550091 -0.190258 23 8 0 -4.383295 0.452191 0.206855 24 8 0 -3.238411 -1.964925 -0.116714 25 1 0 -0.747838 -1.911505 -0.690901 26 1 0 -0.392486 2.346304 -0.780965 27 6 0 -5.045980 1.672327 0.407286 28 6 0 -3.774180 -2.272571 1.149008 29 1 0 -6.063831 1.421848 0.665425 30 1 0 -5.045820 2.273618 -0.495019 31 1 0 -4.598885 2.235620 1.219159 32 1 0 -3.920999 -3.343398 1.173366 33 1 0 -4.720981 -1.772354 1.298631 34 1 0 -3.088057 -1.993904 1.942663 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6206549 0.1837568 0.1707136 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1948.2806353586 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.61D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999894 -0.013733 -0.000905 -0.004803 Ang= -1.67 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.62032769 A.U. after 14 cycles NFock= 14 Conv=0.33D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.001211010 -0.001151552 0.003448257 2 1 0.000169991 0.000416692 0.000173559 3 1 0.000238465 0.000475901 0.000094057 4 1 0.000055554 0.000434020 -0.000656959 5 8 0.001273984 0.001627834 -0.005628474 6 15 -0.000704392 0.000526697 0.004661996 7 16 -0.004144568 -0.004509546 0.001853730 8 8 -0.000288241 0.000245528 -0.002163231 9 8 0.002415896 -0.002202636 0.000253581 10 6 0.000100122 0.001220558 0.001143915 11 1 -0.000378620 -0.000295495 -0.000048691 12 1 -0.000279768 -0.000389074 -0.000263015 13 1 0.000291451 -0.000457944 0.000057389 14 8 -0.002707592 0.000542664 0.002597922 15 6 0.004609686 0.001200765 -0.008827074 16 8 -0.000325098 -0.001238186 0.003316792 17 6 -0.002563238 0.002502884 0.000960541 18 6 -0.001214544 0.000144230 0.000030131 19 6 0.001201010 -0.003768293 0.003076271 20 6 -0.002056635 0.001049077 0.000235928 21 6 0.004093371 0.000479460 -0.001449413 22 1 0.000160172 0.000034930 -0.000006987 23 8 0.001142964 0.003932032 -0.004203774 24 8 0.000189466 0.000287110 0.002139342 25 1 -0.000487141 0.000141795 0.000218682 26 1 0.000105267 -0.000677551 0.000789653 27 6 -0.000005609 0.001556106 -0.000693573 28 6 -0.000548165 -0.001260405 -0.003262214 29 1 -0.000033972 -0.000415650 0.000378684 30 1 0.000188970 -0.000444239 0.000019623 31 1 0.000370224 -0.000197383 0.000207078 32 1 -0.000056692 0.000644148 0.000613163 33 1 -0.000000306 -0.000714163 0.000190844 34 1 0.000399001 0.000259687 0.000742268 ------------------------------------------------------------------- Cartesian Forces: Max 0.008827074 RMS 0.001944805 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.010976356 RMS 0.001502039 Search for a local minimum. Step number 13 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 12 13 DE= -3.07D-03 DEPred=-3.42D-03 R= 8.99D-01 TightC=F SS= 1.41D+00 RLast= 6.26D-01 DXNew= 5.0454D+00 1.8773D+00 Trust test= 8.99D-01 RLast= 6.26D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00205 0.00703 0.00837 0.01175 0.01603 Eigenvalues --- 0.01666 0.01791 0.01826 0.01976 0.02398 Eigenvalues --- 0.02542 0.02558 0.02681 0.02725 0.02771 Eigenvalues --- 0.02868 0.03633 0.04667 0.05049 0.09568 Eigenvalues --- 0.09836 0.10090 0.10179 0.10427 0.10490 Eigenvalues --- 0.10526 0.10530 0.10698 0.10902 0.10927 Eigenvalues --- 0.11956 0.13714 0.15757 0.15941 0.15985 Eigenvalues --- 0.15998 0.15999 0.16000 0.16000 0.16001 Eigenvalues --- 0.16008 0.16029 0.16034 0.16063 0.16094 Eigenvalues --- 0.16138 0.16661 0.18570 0.19356 0.19926 Eigenvalues --- 0.22219 0.23022 0.23503 0.24040 0.24784 Eigenvalues --- 0.24951 0.25085 0.25317 0.26228 0.26951 Eigenvalues --- 0.30533 0.32830 0.33339 0.33456 0.33488 Eigenvalues --- 0.33589 0.33735 0.33900 0.34626 0.34799 Eigenvalues --- 0.34832 0.34860 0.34891 0.34910 0.35414 Eigenvalues --- 0.37155 0.38591 0.39009 0.39333 0.39693 Eigenvalues --- 0.40024 0.42523 0.44320 0.45058 0.46609 Eigenvalues --- 0.47932 0.49247 0.52651 0.53527 0.60514 Eigenvalues --- 0.64284 0.72286 0.75451 0.86782 0.87956 Eigenvalues --- 1.29065 RFO step: Lambda=-1.62534661D-03 EMin= 2.04937359D-03 Quartic linear search produced a step of 0.05187. Iteration 1 RMS(Cart)= 0.09836851 RMS(Int)= 0.00525910 Iteration 2 RMS(Cart)= 0.00752051 RMS(Int)= 0.00002907 Iteration 3 RMS(Cart)= 0.00006597 RMS(Int)= 0.00001165 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00001165 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03731 -0.00020 -0.00010 -0.00058 -0.00067 2.03664 R2 2.03734 0.00043 -0.00029 -0.00031 -0.00060 2.03674 R3 2.03938 -0.00071 0.00030 -0.00168 -0.00139 2.03799 R4 2.69288 0.00185 -0.00003 0.00435 0.00432 2.69721 R5 2.93761 0.00132 -0.00190 -0.00025 -0.00215 2.93546 R6 4.04729 -0.00155 0.00191 0.00137 0.00328 4.05057 R7 2.73128 0.00104 -0.00002 0.00075 0.00072 2.73200 R8 2.96215 0.00131 -0.00014 0.00143 0.00129 2.96344 R9 2.72147 0.00356 0.00071 0.00412 0.00482 2.72629 R10 3.28005 0.01098 -0.00100 0.01028 0.00928 3.28933 R11 2.71903 0.00182 0.00047 0.00217 0.00265 2.72168 R12 2.71391 0.00015 0.00070 0.00224 0.00294 2.71685 R13 2.03903 -0.00046 0.00008 -0.00111 -0.00103 2.03800 R14 2.03613 0.00003 -0.00004 0.00001 -0.00003 2.03609 R15 2.03751 0.00032 -0.00013 0.00050 0.00037 2.03788 R16 2.60260 0.00216 -0.00040 0.00249 0.00210 2.60469 R17 2.63301 0.00218 -0.00012 0.00365 0.00353 2.63654 R18 2.61728 0.00120 0.00029 0.00272 0.00301 2.62029 R19 2.02662 0.00012 -0.00012 0.00016 0.00004 2.02666 R20 2.61778 0.00227 -0.00026 0.00270 0.00244 2.62022 R21 2.02531 -0.00006 -0.00008 -0.00012 -0.00020 2.02511 R22 2.65945 0.00005 0.00048 -0.00035 0.00013 2.65958 R23 2.51685 0.00629 -0.00009 0.00562 0.00553 2.52237 R24 2.59381 -0.00024 -0.00010 -0.00128 -0.00138 2.59243 R25 2.55525 -0.00006 0.00010 0.00016 0.00026 2.55551 R26 2.02700 -0.00032 -0.00008 -0.00050 -0.00059 2.02641 R27 2.65105 0.00014 -0.00039 -0.00038 -0.00077 2.65028 R28 2.66159 0.00190 0.00022 0.00456 0.00478 2.66637 R29 2.04003 -0.00046 0.00014 -0.00088 -0.00074 2.03929 R30 2.04903 -0.00033 0.00017 -0.00047 -0.00030 2.04873 R31 2.04957 -0.00034 0.00017 -0.00048 -0.00030 2.04927 R32 2.04302 -0.00041 0.00010 -0.00082 -0.00073 2.04229 R33 2.04321 -0.00069 0.00030 -0.00119 -0.00088 2.04233 R34 2.05130 -0.00067 -0.00000 -0.00130 -0.00131 2.04999 A1 1.93493 -0.00015 0.00082 -0.00075 0.00007 1.93500 A2 1.92502 0.00010 0.00013 0.00074 0.00086 1.92588 A3 1.85039 -0.00003 -0.00031 -0.00114 -0.00146 1.84893 A4 1.92105 0.00037 0.00018 0.00249 0.00266 1.92372 A5 1.90844 -0.00050 0.00005 -0.00143 -0.00138 1.90706 A6 1.92286 0.00020 -0.00089 -0.00007 -0.00096 1.92190 A7 2.26421 -0.00596 0.00329 -0.01014 -0.00685 2.25736 A8 1.81445 -0.00288 0.00244 -0.00546 -0.00303 1.81142 A9 2.04761 -0.00039 0.00054 -0.00384 -0.00329 2.04432 A10 1.81202 0.00218 -0.00197 0.00793 0.00595 1.81796 A11 1.93425 0.00159 -0.00240 -0.00117 -0.00358 1.93067 A12 1.76667 -0.00014 0.00091 0.00341 0.00434 1.77101 A13 2.05413 -0.00064 0.00076 -0.00040 0.00037 2.05450 A14 1.85909 -0.00037 0.00045 0.00303 0.00347 1.86256 A15 1.84802 -0.00115 0.00061 0.00033 0.00093 1.84895 A16 1.84059 -0.00010 -0.00006 0.00069 0.00063 1.84122 A17 1.88761 0.00165 -0.00023 0.00443 0.00418 1.89180 A18 2.11347 -0.00152 -0.00106 -0.01006 -0.01112 2.10235 A19 1.89786 0.00131 0.00052 0.00255 0.00307 1.90093 A20 2.12121 0.00251 0.00003 0.00944 0.00947 2.13068 A21 1.92355 0.00023 -0.00033 0.00108 0.00075 1.92431 A22 1.84690 -0.00011 -0.00023 -0.00060 -0.00083 1.84607 A23 1.90515 0.00053 -0.00055 0.00095 0.00040 1.90554 A24 1.92091 0.00013 -0.00017 0.00080 0.00063 1.92154 A25 1.93077 -0.00029 0.00076 0.00001 0.00077 1.93154 A26 1.93483 -0.00047 0.00047 -0.00225 -0.00178 1.93305 A27 2.10702 -0.00295 0.00044 -0.00921 -0.00879 2.09823 A28 2.07081 0.00319 -0.00095 0.00822 0.00725 2.07807 A29 2.10349 -0.00020 0.00049 0.00168 0.00215 2.10564 A30 2.08843 -0.00044 0.00031 -0.00131 -0.00100 2.08743 A31 2.10493 -0.00082 -0.00005 -0.00452 -0.00458 2.10036 A32 2.08962 0.00125 -0.00026 0.00577 0.00551 2.09513 A33 2.09951 0.00033 -0.00073 -0.00014 -0.00087 2.09864 A34 2.07676 -0.00004 0.00002 0.00011 0.00013 2.07689 A35 2.10688 -0.00029 0.00071 -0.00000 0.00070 2.10758 A36 2.09207 -0.00067 0.00040 -0.00077 -0.00039 2.09168 A37 2.17015 -0.00034 0.00066 -0.00017 0.00047 2.17063 A38 2.02096 0.00101 -0.00106 0.00091 -0.00016 2.02080 A39 2.08341 0.00125 0.00015 0.00338 0.00353 2.08694 A40 2.12050 0.00058 -0.00243 -0.00431 -0.00673 2.11377 A41 2.07814 -0.00183 0.00229 0.00086 0.00315 2.08130 A42 2.09911 -0.00026 -0.00061 -0.00264 -0.00328 2.09584 A43 2.11217 -0.00032 0.00044 -0.00074 -0.00031 2.11186 A44 2.07176 0.00058 0.00018 0.00353 0.00370 2.07545 A45 2.09653 0.00147 -0.00028 0.00184 0.00156 2.09809 A46 2.06397 -0.00038 -0.00352 -0.01021 -0.01373 2.05024 A47 1.85225 -0.00032 0.00037 -0.00077 -0.00040 1.85185 A48 1.94265 -0.00036 0.00019 -0.00127 -0.00108 1.94157 A49 1.94328 -0.00033 0.00014 -0.00104 -0.00090 1.94238 A50 1.90476 0.00036 -0.00028 0.00131 0.00102 1.90578 A51 1.90729 0.00032 -0.00023 0.00106 0.00082 1.90811 A52 1.91224 0.00034 -0.00018 0.00076 0.00059 1.91282 A53 1.86320 -0.00104 0.00088 -0.00325 -0.00237 1.86083 A54 1.93522 0.00072 -0.00066 0.00262 0.00196 1.93718 A55 1.93964 -0.00067 0.00005 -0.00439 -0.00434 1.93530 A56 1.91367 0.00006 -0.00012 0.00016 0.00005 1.91372 A57 1.90037 0.00059 -0.00016 0.00238 0.00221 1.90258 A58 1.91087 0.00030 0.00003 0.00239 0.00241 1.91328 D1 -2.76853 -0.00065 -0.00340 -0.02283 -0.02623 -2.79476 D2 1.42774 -0.00018 -0.00423 -0.02053 -0.02476 1.40299 D3 -0.68571 -0.00044 -0.00392 -0.02266 -0.02657 -0.71228 D4 -1.51872 0.00066 0.00598 0.01779 0.02382 -1.49490 D5 2.62237 0.00109 0.00686 0.02594 0.03278 2.65516 D6 0.32307 0.00028 0.00718 0.02229 0.02946 0.35252 D7 0.79455 0.00125 0.00016 -0.00656 -0.00638 0.78817 D8 -1.21216 0.00006 -0.00006 -0.01311 -0.01316 -1.22532 D9 3.06100 -0.00087 -0.00088 -0.01644 -0.01731 3.04369 D10 3.00951 -0.00019 0.00107 -0.01558 -0.01450 2.99500 D11 1.00280 -0.00138 0.00086 -0.02213 -0.02128 0.98152 D12 -1.00724 -0.00231 0.00003 -0.02546 -0.02543 -1.03267 D13 -1.08123 -0.00021 0.00131 -0.01458 -0.01327 -1.09450 D14 -3.08794 -0.00140 0.00110 -0.02113 -0.02005 -3.10799 D15 1.18521 -0.00233 0.00027 -0.02446 -0.02420 1.16101 D16 2.77308 0.00186 0.01044 0.06995 0.08039 2.85347 D17 -1.63242 -0.00065 0.01281 0.06748 0.08028 -1.55214 D18 0.47759 0.00089 0.01089 0.06828 0.07917 0.55676 D19 1.62852 0.00048 0.00253 0.02566 0.02819 1.65671 D20 -1.44784 -0.00017 0.00278 0.01349 0.01627 -1.43157 D21 -0.35858 0.00071 0.00182 0.02001 0.02183 -0.33675 D22 2.84825 0.00005 0.00207 0.00784 0.00991 2.85816 D23 -2.68414 0.00040 0.00299 0.02777 0.03076 -2.65339 D24 0.52268 -0.00025 0.00324 0.01560 0.01884 0.54152 D25 0.88094 0.00036 0.00096 0.01555 0.01652 0.89745 D26 2.95720 0.00056 0.00045 0.01673 0.01718 2.97438 D27 -1.24288 0.00023 0.00059 0.01424 0.01482 -1.22806 D28 -3.10280 -0.00045 0.00028 -0.00601 -0.00567 -3.10847 D29 0.06062 -0.00035 0.00022 -0.00254 -0.00229 0.05834 D30 -0.02766 0.00034 -0.00002 0.00663 0.00661 -0.02105 D31 3.13576 0.00044 -0.00008 0.01010 0.01000 -3.13743 D32 3.10329 0.00006 0.00005 -0.00145 -0.00134 3.10195 D33 -0.05695 0.00035 0.00006 0.00744 0.00754 -0.04941 D34 0.02679 -0.00048 0.00030 -0.01318 -0.01289 0.01391 D35 -3.13345 -0.00020 0.00031 -0.00429 -0.00400 -3.13745 D36 0.01055 -0.00007 0.00026 -0.00014 0.00013 0.01068 D37 -3.12214 0.00009 -0.00034 0.00445 0.00411 -3.11803 D38 3.13051 -0.00019 0.00032 -0.00371 -0.00337 3.12714 D39 -0.00219 -0.00004 -0.00027 0.00088 0.00061 -0.00157 D40 0.00744 -0.00006 -0.00078 0.00000 -0.00079 0.00665 D41 -3.13054 0.00027 -0.00120 0.01107 0.00985 -3.12069 D42 3.13998 -0.00021 -0.00018 -0.00467 -0.00485 3.13513 D43 0.00200 0.00012 -0.00061 0.00640 0.00579 0.00779 D44 -0.00840 -0.00009 0.00104 -0.00642 -0.00539 -0.01379 D45 -3.09841 -0.00005 0.00061 -0.00495 -0.00434 -3.10275 D46 3.12988 -0.00040 0.00145 -0.01657 -0.01514 3.11474 D47 0.03987 -0.00036 0.00101 -0.01510 -0.01409 0.02578 D48 -0.03603 0.00032 0.00069 0.00371 0.00440 -0.03162 D49 3.10905 0.00064 0.00027 0.01438 0.01465 3.12370 D50 -0.00852 0.00036 -0.00081 0.01293 0.01213 0.00361 D51 -3.13190 0.00009 -0.00082 0.00429 0.00348 -3.12842 D52 3.08275 0.00039 -0.00055 0.01134 0.01080 3.09355 D53 -0.04062 0.00012 -0.00056 0.00269 0.00214 -0.03848 D54 -1.16459 -0.00173 -0.01282 -0.18214 -0.19496 -1.35955 D55 2.02843 -0.00178 -0.01319 -0.18074 -0.19392 1.83451 D56 -3.12030 -0.00003 -0.00014 -0.00409 -0.00422 -3.12452 D57 1.09257 -0.00007 -0.00012 -0.00451 -0.00463 1.08794 D58 -1.04659 -0.00002 -0.00012 -0.00385 -0.00397 -1.05056 D59 -2.71136 -0.00038 0.00186 -0.01780 -0.01595 -2.72731 D60 1.48824 -0.00023 0.00183 -0.01750 -0.01567 1.47257 D61 -0.64138 -0.00066 0.00222 -0.01932 -0.01710 -0.65848 Item Value Threshold Converged? Maximum Force 0.010976 0.000450 NO RMS Force 0.001502 0.000300 NO Maximum Displacement 0.547360 0.001800 NO RMS Displacement 0.100309 0.001200 NO Predicted change in Energy=-9.093886D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.771130 -0.458306 -1.455213 2 1 0 0.108199 -0.344786 -2.297331 3 1 0 0.725420 0.404958 -0.811524 4 1 0 0.524123 -1.349948 -0.901106 5 8 0 2.084674 -0.568601 -2.002594 6 15 0 3.373928 -1.149128 -1.359323 7 16 0 4.187963 0.504457 -0.265039 8 8 0 4.364464 -1.704689 -2.253906 9 8 0 2.846039 -2.061762 -0.198445 10 6 0 3.675247 -3.053886 0.430103 11 1 0 4.608697 -2.615147 0.745163 12 1 0 3.120575 -3.399060 1.286900 13 1 0 3.849019 -3.861333 -0.263277 14 8 0 3.088971 1.115153 0.442511 15 6 0 4.765320 1.630638 -1.460112 16 8 0 5.314494 -0.028933 0.456586 17 6 0 3.964860 2.673342 -1.874679 18 6 0 4.422236 3.539705 -2.855943 19 6 0 5.671941 3.351586 -3.426382 20 6 0 6.475236 2.272406 -3.013066 21 6 0 6.019415 1.424471 -2.035710 22 1 0 3.800966 4.359910 -3.155445 23 8 0 6.202233 4.146554 -4.358292 24 8 0 7.715788 2.090545 -3.519744 25 1 0 6.645239 0.612869 -1.720206 26 1 0 3.003285 2.829616 -1.426210 27 6 0 5.473251 5.237750 -4.853061 28 6 0 7.815971 1.525897 -4.808935 29 1 0 6.101182 5.705131 -5.595900 30 1 0 5.256344 5.953569 -4.068255 31 1 0 4.547713 4.915123 -5.317036 32 1 0 8.795791 1.074460 -4.873341 33 1 0 7.714175 2.283866 -5.572575 34 1 0 7.063111 0.758572 -4.954612 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077741 0.000000 3 H 1.077799 1.775021 0.000000 4 H 1.078459 1.769969 1.768684 0.000000 5 O 1.427301 2.010825 2.052812 2.063758 0.000000 6 P 2.694623 3.491678 3.119273 2.893385 1.553379 7 S 3.744086 4.636367 3.506815 4.155373 2.931617 8 O 3.886313 4.468446 4.446765 4.087068 2.559550 9 O 2.907884 3.853453 3.310227 2.528182 2.462552 10 C 4.327280 5.244230 4.712401 3.821662 3.824209 11 H 4.921437 5.887766 5.159859 4.581994 4.255492 12 H 4.656943 5.590144 4.960918 3.965828 4.461542 13 H 4.740750 5.522428 5.315890 4.215307 4.120706 14 O 3.383714 4.303854 2.768277 3.802693 3.134035 15 C 4.507468 5.127574 4.271271 5.213840 3.509530 16 O 4.947878 5.898248 4.780791 5.151316 4.095185 17 C 4.492559 4.915441 4.095099 5.382692 3.749887 18 C 5.592559 5.832001 5.260488 6.551746 4.803184 19 C 6.512966 6.774448 6.323620 7.414949 5.501229 20 C 6.513104 6.921065 6.433859 7.279943 5.326295 21 C 5.605918 6.175855 5.528510 6.259629 4.410852 22 H 5.940193 6.042106 5.531238 6.958608 5.344618 23 O 7.689571 7.845824 7.521609 8.625811 6.688520 24 O 7.680313 8.080875 7.683808 8.391323 6.409544 25 H 5.976855 6.631973 5.992761 6.480095 4.719573 26 H 3.974140 4.383743 3.383116 4.887815 3.567063 27 C 8.130213 8.153542 7.888713 9.138357 7.302145 28 C 8.050733 8.319698 8.216552 8.758576 6.716416 29 H 9.140169 9.132245 8.937612 10.144891 8.270665 30 H 8.249683 8.325193 7.869095 9.260999 7.540898 31 H 7.619055 7.516285 7.433112 8.656837 6.864643 32 H 8.855967 9.171932 9.059662 9.490885 7.481974 33 H 8.525143 8.688378 8.662598 9.312576 7.250698 34 H 7.301754 7.526576 7.580010 7.977163 5.938067 6 7 8 9 10 6 P 0.000000 7 S 2.143467 0.000000 8 O 1.445713 2.977762 0.000000 9 O 1.568185 2.896666 2.580316 0.000000 10 C 2.630768 3.661680 3.082086 1.437695 0.000000 11 H 2.846529 3.305972 3.143723 2.074510 1.078463 12 H 3.482654 4.334198 4.117701 2.017421 1.077454 13 H 2.963626 4.378927 2.979832 2.061220 1.078399 14 O 2.907709 1.442693 4.104760 3.250021 4.210078 15 C 3.110181 1.740639 3.451839 4.348478 5.167778 16 O 2.884121 1.440249 3.325279 3.264158 3.440664 17 C 3.902060 2.710125 4.412556 5.146138 6.180375 18 C 5.032293 3.997549 5.279152 6.397118 7.404831 19 C 5.459855 4.505821 5.352580 6.907216 7.738819 20 C 4.905087 3.988598 4.566067 6.314917 6.932874 21 C 3.752267 2.708490 3.546563 5.059612 5.624148 22 H 5.810156 4.834122 6.157082 7.133975 8.236281 23 O 6.710990 5.837541 6.484049 8.192165 9.008925 24 O 5.832208 5.055129 5.218958 7.210211 7.641494 25 H 3.733141 2.857878 3.295124 4.889103 5.185534 26 H 3.996530 2.856247 4.806018 5.045564 6.205886 27 C 7.576646 6.716098 7.495496 9.047130 9.994791 28 C 6.227948 5.903623 5.373804 7.669951 8.097378 29 H 8.506901 7.689310 8.312072 10.002655 10.904964 30 H 7.831354 6.730432 7.920620 9.221200 10.191630 31 H 7.335967 6.716105 7.296455 8.818877 9.863869 32 H 6.832954 6.541668 5.849938 8.190854 8.449244 33 H 6.955191 6.615920 6.175978 8.453668 8.990922 34 H 5.493223 5.506645 4.543585 6.954071 7.416712 11 12 13 14 15 11 H 0.000000 12 H 1.767061 0.000000 13 H 1.773990 1.774085 0.000000 14 O 4.039344 4.592615 5.083426 0.000000 15 C 4.786905 5.962308 5.695065 2.587633 0.000000 16 O 2.696280 4.106149 4.165706 2.502416 2.594128 17 C 5.936852 6.898004 6.731420 2.926517 1.378345 18 C 7.133367 8.185593 7.862942 4.305327 2.389683 19 C 7.357593 8.619496 8.084211 5.161559 2.765834 20 C 6.441772 7.868226 7.216724 4.974639 2.397362 21 C 5.103126 6.535248 5.982630 3.850293 1.395195 22 H 8.032346 8.966547 8.715261 4.897006 3.354558 23 O 8.620048 9.914692 9.296936 6.475300 4.098049 24 O 7.070148 8.622968 7.809054 6.169140 3.627514 25 H 4.543746 6.128745 5.473570 4.192454 2.153507 26 H 6.077635 6.794934 6.843718 2.537487 2.131541 27 C 9.682745 10.854892 10.319765 7.122055 5.002452 28 C 7.634321 9.135708 8.088384 7.077494 4.531231 29 H 10.567100 11.795899 11.181517 8.161110 5.957412 30 H 9.849433 10.986849 10.620297 6.960946 5.072597 31 H 9.667416 10.713278 10.151592 7.052664 5.070607 32 H 7.919125 9.495737 8.371696 7.799213 5.310759 33 H 8.576604 10.022435 8.993973 7.677217 5.102431 34 H 7.063538 8.472660 7.326836 6.711920 4.272221 16 17 18 19 20 16 O 0.000000 17 C 3.815573 0.000000 18 C 4.950166 1.386599 0.000000 19 C 5.160728 2.404563 1.386561 0.000000 20 C 4.322264 2.785438 2.417755 1.407388 0.000000 21 C 2.969989 2.409732 2.774522 2.401765 1.371857 22 H 5.882132 2.124084 1.071641 2.142585 3.395536 23 O 6.434736 3.653017 2.407013 1.334782 2.323058 24 O 5.105840 4.137070 3.658986 2.403383 1.352318 25 H 2.630820 3.384352 3.846817 3.370299 2.110557 26 H 4.130122 1.072461 2.135834 3.375628 3.857854 27 C 7.480341 4.209773 2.824264 2.373290 3.630815 28 C 6.033290 4.975695 4.403071 3.137110 2.362200 29 H 8.374422 5.253865 3.874957 3.229587 4.312139 30 H 7.501193 4.152059 2.827044 2.712018 4.018716 31 H 7.639787 4.149111 2.822144 2.698724 4.000947 32 H 6.461039 5.906462 5.410666 4.127642 3.206349 33 H 6.888998 5.280482 4.449054 3.149110 2.843622 34 H 5.740983 4.769852 4.371879 3.315805 2.531184 21 22 23 24 25 21 C 0.000000 22 H 3.846053 0.000000 23 O 3.582953 2.694150 0.000000 24 O 2.350254 4.539665 2.687226 0.000000 25 H 1.072332 4.918344 4.432007 2.562799 0.000000 26 H 3.382745 2.443021 4.534833 5.209299 4.273667 27 C 4.772510 2.539496 1.402468 4.087982 5.707701 28 C 3.305855 5.185163 3.110478 1.410984 3.427022 29 H 5.568275 3.613369 1.992748 4.470190 6.422471 30 H 5.022573 2.343309 2.060129 4.612231 5.997119 31 H 5.011752 2.353374 2.060904 4.609251 5.987169 32 H 3.985338 6.220420 4.053342 2.007750 3.844503 33 H 4.014995 5.046353 2.688877 2.061914 4.333083 34 H 3.170601 5.181527 3.546143 2.063731 3.264541 26 27 28 29 30 26 H 0.000000 27 C 4.862422 0.000000 28 C 6.025318 4.389548 0.000000 29 H 5.937329 1.079144 4.585391 0.000000 30 H 4.670734 1.084143 5.167647 1.763285 0.000000 31 H 4.676872 1.084427 4.735666 1.764977 1.772000 32 H 6.965372 5.326599 1.080736 5.406119 6.081246 33 H 6.299419 3.776886 1.080752 3.782505 4.665901 34 H 5.763769 4.754051 1.084808 5.079862 5.571178 31 32 33 34 31 H 0.000000 32 H 5.744017 0.000000 33 H 4.124960 1.766772 0.000000 34 H 4.871909 1.763114 1.769826 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 2.959732 2.299775 1.376317 2 1 0 2.757326 2.882358 2.260146 3 1 0 2.709763 2.853399 0.485999 4 1 0 3.996295 2.003089 1.352054 5 8 0 2.121433 1.148053 1.465639 6 15 0 2.248695 -0.220916 0.742648 7 16 0 1.265042 0.099483 -1.134644 8 8 0 1.697575 -1.375663 1.415635 9 8 0 3.751970 -0.282998 0.300477 10 6 0 4.382219 -1.514164 -0.091931 11 1 0 3.790125 -2.014212 -0.841904 12 1 0 5.339415 -1.235828 -0.500846 13 1 0 4.505462 -2.141577 0.776463 14 8 0 1.731523 1.369218 -1.636172 15 6 0 -0.430338 0.243356 -0.767473 16 8 0 1.478074 -1.107200 -1.891512 17 6 0 -0.998146 1.486353 -0.587513 18 6 0 -2.341092 1.584466 -0.256566 19 6 0 -3.105986 0.439321 -0.094910 20 6 0 -2.514483 -0.827062 -0.259648 21 6 0 -1.187313 -0.915929 -0.595379 22 1 0 -2.777850 2.556142 -0.140366 23 8 0 -4.407775 0.438142 0.200026 24 8 0 -3.246063 -1.959298 -0.151954 25 1 0 -0.750437 -1.885903 -0.730230 26 1 0 -0.412737 2.374397 -0.724796 27 6 0 -5.085965 1.648450 0.405287 28 6 0 -3.570159 -2.403674 1.147418 29 1 0 -6.104840 1.384046 0.643061 30 1 0 -5.076147 2.260855 -0.489268 31 1 0 -4.657355 2.204736 1.231617 32 1 0 -3.755492 -3.465836 1.073561 33 1 0 -4.454805 -1.905308 1.517632 34 1 0 -2.744517 -2.235715 1.830728 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6144880 0.1848088 0.1713241 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1947.6130296917 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.60D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999843 -0.017347 -0.001525 -0.003344 Ang= -2.03 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.62138199 A.U. after 13 cycles NFock= 13 Conv=0.79D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000326044 -0.000557239 0.002584852 2 1 0.000046520 0.000321430 0.000009029 3 1 0.000092759 0.000419151 0.000282302 4 1 -0.000040860 0.000047559 -0.000357158 5 8 -0.000661434 0.000788136 -0.004444375 6 15 0.001367365 -0.000510018 0.004886186 7 16 -0.003827754 -0.003422036 0.004322747 8 8 -0.000214685 0.000456784 -0.001709157 9 8 0.002234040 -0.000322952 0.000027812 10 6 -0.000458403 0.000777610 0.000160167 11 1 -0.000263204 0.000029955 -0.000099549 12 1 -0.000311360 -0.000255215 -0.000270012 13 1 0.000166886 -0.000179349 -0.000115452 14 8 -0.000879424 -0.000188590 -0.000401888 15 6 0.003141521 0.001099526 -0.006793260 16 8 -0.000220001 -0.000889883 0.001466882 17 6 -0.000460358 0.001715239 0.000136310 18 6 -0.000487484 -0.000308458 0.000612634 19 6 0.001748425 -0.000638737 0.001492299 20 6 -0.001681690 0.000576896 0.001120992 21 6 0.000362777 0.000317736 -0.001046643 22 1 0.000101481 0.000085857 -0.000186235 23 8 0.000654435 -0.000043168 -0.002618842 24 8 0.001070403 0.000353692 0.000143508 25 1 -0.000143127 0.000023675 0.000435041 26 1 -0.000013031 -0.000320263 0.000195239 27 6 -0.000263147 0.000871679 -0.000095311 28 6 -0.000873958 -0.001733532 0.000317976 29 1 0.000064018 -0.000285741 0.000179749 30 1 0.000033844 -0.000193537 0.000011510 31 1 0.000136138 -0.000003307 0.000039604 32 1 0.000103325 0.000853916 -0.000236784 33 1 -0.000597687 0.001000044 -0.000292942 34 1 0.000399712 0.000113139 0.000242768 ------------------------------------------------------------------- Cartesian Forces: Max 0.006793260 RMS 0.001406603 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.007702176 RMS 0.001035063 Search for a local minimum. Step number 14 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 13 14 DE= -1.05D-03 DEPred=-9.09D-04 R= 1.16D+00 TightC=F SS= 1.41D+00 RLast= 3.31D-01 DXNew= 5.0454D+00 9.9336D-01 Trust test= 1.16D+00 RLast= 3.31D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00283 0.00530 0.00837 0.01146 0.01604 Eigenvalues --- 0.01727 0.01780 0.01938 0.02022 0.02237 Eigenvalues --- 0.02461 0.02628 0.02680 0.02724 0.02769 Eigenvalues --- 0.02868 0.03549 0.04663 0.05030 0.09509 Eigenvalues --- 0.09846 0.10079 0.10153 0.10433 0.10497 Eigenvalues --- 0.10522 0.10528 0.10802 0.10907 0.10968 Eigenvalues --- 0.11975 0.13535 0.15746 0.15844 0.15956 Eigenvalues --- 0.15991 0.15998 0.16000 0.16000 0.16004 Eigenvalues --- 0.16012 0.16012 0.16032 0.16069 0.16132 Eigenvalues --- 0.16285 0.16643 0.18442 0.19368 0.19778 Eigenvalues --- 0.21951 0.22665 0.23282 0.24053 0.24561 Eigenvalues --- 0.24809 0.24999 0.25459 0.25544 0.26253 Eigenvalues --- 0.29020 0.32853 0.33324 0.33455 0.33488 Eigenvalues --- 0.33586 0.33724 0.34032 0.34624 0.34799 Eigenvalues --- 0.34826 0.34848 0.34864 0.34896 0.35200 Eigenvalues --- 0.37046 0.38589 0.39046 0.39291 0.39685 Eigenvalues --- 0.40027 0.42356 0.44606 0.45125 0.46622 Eigenvalues --- 0.48070 0.49303 0.52682 0.53518 0.59772 Eigenvalues --- 0.61167 0.69310 0.73472 0.87341 0.89982 Eigenvalues --- 1.29435 RFO step: Lambda=-2.01352933D-03 EMin= 2.82958812D-03 Quartic linear search produced a step of 0.51909. Iteration 1 RMS(Cart)= 0.13704615 RMS(Int)= 0.00735005 Iteration 2 RMS(Cart)= 0.00977774 RMS(Int)= 0.00010021 Iteration 3 RMS(Cart)= 0.00011117 RMS(Int)= 0.00006495 Iteration 4 RMS(Cart)= 0.00000003 RMS(Int)= 0.00006495 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03664 -0.00000 -0.00035 -0.00066 -0.00101 2.03562 R2 2.03674 0.00050 -0.00031 -0.00153 -0.00184 2.03490 R3 2.03799 -0.00021 -0.00072 -0.00031 -0.00103 2.03697 R4 2.69721 0.00119 0.00224 0.00946 0.01170 2.70891 R5 2.93546 0.00192 -0.00111 0.00236 0.00125 2.93671 R6 4.05057 -0.00189 0.00170 0.01023 0.01193 4.06250 R7 2.73200 0.00073 0.00038 0.00173 0.00210 2.73410 R8 2.96344 -0.00071 0.00067 -0.00295 -0.00228 2.96116 R9 2.72629 0.00039 0.00250 0.00618 0.00869 2.73498 R10 3.28933 0.00770 0.00482 0.02371 0.02852 3.31785 R11 2.72168 0.00089 0.00137 0.00354 0.00491 2.72659 R12 2.71685 -0.00090 0.00153 0.00105 0.00257 2.71942 R13 2.03800 -0.00024 -0.00054 -0.00190 -0.00244 2.03556 R14 2.03609 0.00003 -0.00002 -0.00016 -0.00017 2.03592 R15 2.03788 0.00024 0.00019 0.00117 0.00136 2.03923 R16 2.60469 0.00127 0.00109 0.00327 0.00437 2.60906 R17 2.63654 0.00029 0.00183 -0.00237 -0.00052 2.63602 R18 2.62029 0.00012 0.00156 0.00153 0.00309 2.62338 R19 2.02666 0.00005 0.00002 -0.00048 -0.00046 2.02619 R20 2.62022 0.00057 0.00127 0.00217 0.00342 2.62364 R21 2.02511 0.00006 -0.00011 0.00002 -0.00009 2.02502 R22 2.65958 -0.00141 0.00007 -0.00171 -0.00165 2.65792 R23 2.52237 0.00219 0.00287 0.01193 0.01480 2.53717 R24 2.59243 -0.00010 -0.00072 0.00287 0.00216 2.59460 R25 2.55551 -0.00005 0.00014 0.00176 0.00190 2.55741 R26 2.02641 0.00003 -0.00030 -0.00076 -0.00107 2.02535 R27 2.65028 0.00027 -0.00040 -0.00206 -0.00246 2.64782 R28 2.66637 -0.00019 0.00248 0.00297 0.00545 2.67182 R29 2.03929 -0.00021 -0.00038 -0.00040 -0.00079 2.03850 R30 2.04873 -0.00013 -0.00015 0.00031 0.00016 2.04889 R31 2.04927 -0.00013 -0.00016 0.00021 0.00006 2.04933 R32 2.04229 -0.00025 -0.00038 -0.00106 -0.00144 2.04085 R33 2.04233 0.00096 -0.00046 0.00295 0.00250 2.04482 R34 2.04999 -0.00039 -0.00068 -0.00326 -0.00394 2.04605 A1 1.93500 -0.00010 0.00003 0.00230 0.00233 1.93733 A2 1.92588 0.00005 0.00045 -0.00044 -0.00001 1.92587 A3 1.84893 -0.00005 -0.00076 -0.00449 -0.00526 1.84367 A4 1.92372 0.00020 0.00138 0.00458 0.00596 1.92968 A5 1.90706 -0.00018 -0.00072 0.00106 0.00034 1.90740 A6 1.92190 0.00007 -0.00050 -0.00341 -0.00392 1.91798 A7 2.25736 -0.00517 -0.00356 -0.00708 -0.01063 2.24673 A8 1.81142 -0.00190 -0.00157 0.00630 0.00467 1.81609 A9 2.04432 -0.00009 -0.00171 -0.01380 -0.01553 2.02879 A10 1.81796 0.00062 0.00309 0.00800 0.01107 1.82903 A11 1.93067 0.00111 -0.00186 -0.00205 -0.00393 1.92673 A12 1.77101 0.00016 0.00225 0.00047 0.00269 1.77370 A13 2.05450 -0.00012 0.00019 0.00347 0.00370 2.05820 A14 1.86256 -0.00052 0.00180 0.00410 0.00591 1.86847 A15 1.84895 -0.00118 0.00048 -0.00954 -0.00904 1.83992 A16 1.84122 -0.00004 0.00032 0.00375 0.00410 1.84531 A17 1.89180 0.00097 0.00217 0.00681 0.00899 1.90079 A18 2.10235 -0.00023 -0.00577 -0.01214 -0.01792 2.08443 A19 1.90093 0.00074 0.00159 0.00640 0.00800 1.90893 A20 2.13068 0.00116 0.00492 0.01890 0.02382 2.15450 A21 1.92431 -0.00014 0.00039 -0.00255 -0.00217 1.92214 A22 1.84607 -0.00019 -0.00043 -0.00322 -0.00365 1.84243 A23 1.90554 0.00014 0.00021 0.00015 0.00035 1.90590 A24 1.92154 0.00032 0.00032 0.00562 0.00594 1.92748 A25 1.93154 0.00001 0.00040 0.00252 0.00292 1.93446 A26 1.93305 -0.00015 -0.00092 -0.00285 -0.00378 1.92927 A27 2.09823 -0.00085 -0.00456 -0.00998 -0.01481 2.08342 A28 2.07807 0.00126 0.00376 0.00698 0.01049 2.08855 A29 2.10564 -0.00039 0.00112 0.00458 0.00549 2.11113 A30 2.08743 0.00003 -0.00052 -0.00291 -0.00342 2.08400 A31 2.10036 -0.00038 -0.00238 -0.00300 -0.00538 2.09497 A32 2.09513 0.00036 0.00286 0.00605 0.00890 2.10403 A33 2.09864 -0.00004 -0.00045 -0.00001 -0.00050 2.09814 A34 2.07689 0.00024 0.00007 0.00169 0.00175 2.07864 A35 2.10758 -0.00020 0.00037 -0.00155 -0.00119 2.10640 A36 2.09168 -0.00031 -0.00020 0.00021 -0.00006 2.09163 A37 2.17063 0.00077 0.00025 -0.00402 -0.00380 2.16683 A38 2.02080 -0.00045 -0.00008 0.00405 0.00394 2.02473 A39 2.08694 0.00112 0.00183 0.00230 0.00406 2.09100 A40 2.11377 -0.00306 -0.00349 -0.00262 -0.00620 2.10757 A41 2.08130 0.00195 0.00164 0.00138 0.00294 2.08424 A42 2.09584 -0.00040 -0.00170 -0.00373 -0.00541 2.09043 A43 2.11186 -0.00018 -0.00016 -0.00135 -0.00153 2.11032 A44 2.07545 0.00058 0.00192 0.00507 0.00697 2.08242 A45 2.09809 0.00032 0.00081 -0.00259 -0.00178 2.09631 A46 2.05024 -0.00274 -0.00713 -0.00224 -0.00937 2.04087 A47 1.85185 -0.00037 -0.00021 -0.00111 -0.00132 1.85053 A48 1.94157 -0.00012 -0.00056 -0.00060 -0.00116 1.94041 A49 1.94238 0.00003 -0.00047 0.00123 0.00076 1.94313 A50 1.90578 0.00022 0.00053 0.00087 0.00140 1.90718 A51 1.90811 0.00014 0.00043 -0.00020 0.00023 1.90834 A52 1.91282 0.00010 0.00030 -0.00020 0.00010 1.91293 A53 1.86083 0.00015 -0.00123 -0.00307 -0.00431 1.85652 A54 1.93718 -0.00098 0.00102 -0.00575 -0.00475 1.93244 A55 1.93530 0.00011 -0.00225 0.00043 -0.00183 1.93347 A56 1.91372 0.00007 0.00002 -0.00174 -0.00174 1.91199 A57 1.90258 0.00044 0.00115 0.00715 0.00829 1.91088 A58 1.91328 0.00023 0.00125 0.00302 0.00427 1.91755 D1 -2.79476 -0.00051 -0.01362 -0.07082 -0.08445 -2.87921 D2 1.40299 -0.00026 -0.01285 -0.07157 -0.08443 1.31856 D3 -0.71228 -0.00044 -0.01379 -0.07577 -0.08955 -0.80184 D4 -1.49490 0.00060 0.01236 0.11181 0.12417 -1.37074 D5 2.65516 0.00068 0.01702 0.11810 0.13507 2.79023 D6 0.35252 0.00034 0.01529 0.11702 0.13235 0.48487 D7 0.78817 -0.00016 -0.00331 -0.09085 -0.09416 0.69401 D8 -1.22532 -0.00048 -0.00683 -0.09603 -0.10286 -1.32817 D9 3.04369 -0.00077 -0.00899 -0.10072 -0.10970 2.93399 D10 2.99500 -0.00086 -0.00753 -0.10475 -0.11228 2.88272 D11 0.98152 -0.00118 -0.01104 -0.10993 -0.12097 0.86055 D12 -1.03267 -0.00148 -0.01320 -0.11462 -0.12781 -1.16048 D13 -1.09450 -0.00032 -0.00689 -0.10141 -0.10830 -1.20281 D14 -3.10799 -0.00064 -0.01041 -0.10659 -0.11700 3.05820 D15 1.16101 -0.00094 -0.01256 -0.11127 -0.12384 1.03717 D16 2.85347 0.00081 0.04173 -0.07611 -0.03439 2.81908 D17 -1.55214 -0.00099 0.04167 -0.06686 -0.02516 -1.57730 D18 0.55676 0.00046 0.04109 -0.06718 -0.02610 0.53066 D19 1.65671 0.00027 0.01463 -0.01617 -0.00159 1.65511 D20 -1.43157 -0.00022 0.00845 -0.04993 -0.04142 -1.47299 D21 -0.33675 0.00101 0.01133 -0.01933 -0.00805 -0.34480 D22 2.85816 0.00051 0.00515 -0.05309 -0.04788 2.81028 D23 -2.65339 -0.00002 0.01596 -0.01364 0.00226 -2.65113 D24 0.54152 -0.00051 0.00978 -0.04740 -0.03758 0.50395 D25 0.89745 0.00031 0.00857 0.05316 0.06173 0.95918 D26 2.97438 0.00051 0.00892 0.05663 0.06554 3.03992 D27 -1.22806 0.00031 0.00769 0.05155 0.05925 -1.16881 D28 -3.10847 -0.00025 -0.00294 -0.01561 -0.01831 -3.12678 D29 0.05834 -0.00039 -0.00119 -0.02224 -0.02320 0.03514 D30 -0.02105 0.00030 0.00343 0.01875 0.02220 0.00115 D31 -3.13743 0.00016 0.00519 0.01212 0.01731 -3.12012 D32 3.10195 0.00026 -0.00070 0.01955 0.01920 3.12115 D33 -0.04941 0.00017 0.00391 0.01922 0.02342 -0.02599 D34 0.01391 -0.00022 -0.00669 -0.01390 -0.02065 -0.00674 D35 -3.13745 -0.00031 -0.00208 -0.01423 -0.01643 3.12931 D36 0.01068 -0.00008 0.00007 -0.00409 -0.00394 0.00674 D37 -3.11803 -0.00030 0.00214 -0.01624 -0.01408 -3.13211 D38 3.12714 0.00004 -0.00175 0.00238 0.00077 3.12790 D39 -0.00157 -0.00018 0.00032 -0.00977 -0.00937 -0.01095 D40 0.00665 -0.00020 -0.00041 -0.01529 -0.01569 -0.00904 D41 -3.12069 -0.00065 0.00511 -0.03629 -0.03115 3.13134 D42 3.13513 0.00002 -0.00252 -0.00289 -0.00536 3.12977 D43 0.00779 -0.00043 0.00301 -0.02390 -0.02083 -0.01303 D44 -0.01379 0.00027 -0.00280 0.02005 0.01721 0.00342 D45 -3.10275 -0.00013 -0.00225 -0.00357 -0.00578 -3.10852 D46 3.11474 0.00069 -0.00786 0.03924 0.03139 -3.13706 D47 0.02578 0.00029 -0.00731 0.01563 0.00840 0.03418 D48 -0.03162 0.00059 0.00229 0.02895 0.03124 -0.00038 D49 3.12370 0.00015 0.00761 0.00874 0.01634 3.14004 D50 0.00361 -0.00007 0.00630 -0.00555 0.00077 0.00438 D51 -3.12842 0.00003 0.00180 -0.00520 -0.00333 -3.13176 D52 3.09355 0.00018 0.00561 0.01749 0.02317 3.11673 D53 -0.03848 0.00028 0.00111 0.01785 0.01907 -0.01941 D54 -1.35955 0.00031 -0.10120 -0.00061 -0.10185 -1.46141 D55 1.83451 -0.00007 -0.10066 -0.02417 -0.12479 1.70972 D56 -3.12452 -0.00004 -0.00219 -0.01078 -0.01298 -3.13750 D57 1.08794 -0.00002 -0.00240 -0.01084 -0.01324 1.07470 D58 -1.05056 -0.00009 -0.00206 -0.01103 -0.01309 -1.06364 D59 -2.72731 -0.00136 -0.00828 -0.14961 -0.15788 -2.88519 D60 1.47257 -0.00099 -0.00813 -0.14243 -0.15058 1.32199 D61 -0.65848 -0.00068 -0.00888 -0.14261 -0.15148 -0.80996 Item Value Threshold Converged? Maximum Force 0.007702 0.000450 NO RMS Force 0.001035 0.000300 NO Maximum Displacement 0.522019 0.001800 NO RMS Displacement 0.139292 0.001200 NO Predicted change in Energy=-1.357341D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.703968 -0.431165 -1.279679 2 1 0 -0.030901 -0.291458 -2.054806 3 1 0 0.752018 0.429163 -0.633866 4 1 0 0.484162 -1.319884 -0.710675 5 8 0 1.957221 -0.584180 -1.958534 6 15 0 3.305056 -1.121589 -1.402144 7 16 0 4.110825 0.535762 -0.295129 8 8 0 4.262242 -1.585986 -2.382671 9 8 0 2.899458 -2.103407 -0.250211 10 6 0 3.781906 -3.106656 0.284261 11 1 0 4.702223 -2.653709 0.613130 12 1 0 3.256019 -3.539006 1.119260 13 1 0 3.970223 -3.852982 -0.472064 14 8 0 3.004520 1.162408 0.396284 15 6 0 4.729469 1.648224 -1.504387 16 8 0 5.210959 -0.001636 0.468232 17 6 0 3.931467 2.687332 -1.939885 18 6 0 4.413276 3.556843 -2.908905 19 6 0 5.683357 3.376731 -3.439966 20 6 0 6.487770 2.315977 -2.986097 21 6 0 6.010939 1.461615 -2.022858 22 1 0 3.793134 4.366848 -3.236980 23 8 0 6.222813 4.161533 -4.386375 24 8 0 7.742719 2.145882 -3.463229 25 1 0 6.634011 0.661428 -1.676207 26 1 0 2.956350 2.828731 -1.517036 27 6 0 5.495552 5.242736 -4.901507 28 6 0 7.874112 1.445579 -4.684430 29 1 0 6.132967 5.706661 -5.637802 30 1 0 5.262073 5.963018 -4.125472 31 1 0 4.579378 4.910956 -5.377525 32 1 0 8.917083 1.179314 -4.771937 33 1 0 7.589547 2.073568 -5.518417 34 1 0 7.271083 0.546352 -4.678371 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077206 0.000000 3 H 1.076823 1.775198 0.000000 4 H 1.077916 1.769079 1.771105 0.000000 5 O 1.433493 2.011861 2.057698 2.065990 0.000000 6 P 2.693946 3.499100 3.084329 2.911167 1.554039 7 S 3.675726 4.575440 3.377527 4.094971 2.942651 8 O 3.900195 4.496040 4.409174 4.140081 2.548849 9 O 2.945569 3.889309 3.342544 2.580618 2.472696 10 C 4.367822 5.285270 4.746072 3.880408 3.836990 11 H 4.950604 5.924574 5.163645 4.617747 4.293186 12 H 4.682579 5.605810 5.008976 3.994540 4.459898 13 H 4.798906 5.585563 5.359085 4.315801 4.116653 14 O 3.262034 4.163575 2.583142 3.706661 3.113290 15 C 4.536409 5.169763 4.250180 5.240446 3.588208 16 O 4.853108 5.824673 4.613281 5.046802 4.100653 17 C 4.536259 4.958503 4.112652 5.427030 3.821097 18 C 5.684853 5.940506 5.325692 6.637215 4.907492 19 C 6.630326 6.930153 6.393782 7.519232 5.636271 20 C 6.626540 7.082309 6.480117 7.378371 5.476557 21 C 5.683210 6.291114 5.536380 6.324858 4.541150 22 H 6.032819 6.141709 5.615153 7.047726 5.433017 23 O 7.823176 8.023358 7.611931 8.745788 6.827259 24 O 7.807246 8.267615 7.734489 8.501456 6.571859 25 H 6.042881 6.743321 5.978149 6.532878 4.848052 26 H 3.969444 4.352981 3.375943 4.896217 3.583453 27 C 8.262571 8.323022 7.992769 9.259865 7.425216 28 C 8.156315 8.510080 8.256173 8.834585 6.823492 29 H 9.281174 9.317112 9.046877 10.274139 8.399319 30 H 8.352271 8.451136 7.947041 9.355744 7.647449 31 H 7.768487 7.704560 7.565543 8.796229 6.982959 32 H 9.068890 9.466382 9.184478 9.687828 7.711344 33 H 8.464738 8.698343 8.562400 9.225855 7.173527 34 H 7.458797 7.804101 7.672676 8.080084 6.075586 6 7 8 9 10 6 P 0.000000 7 S 2.149781 0.000000 8 O 1.446825 2.980365 0.000000 9 O 1.566980 2.904245 2.583078 0.000000 10 C 2.647987 3.702849 3.107360 1.439057 0.000000 11 H 2.891504 3.368592 3.210676 2.073199 1.077172 12 H 3.493392 4.397149 4.134041 2.015820 1.077362 13 H 2.961081 4.394558 2.979087 2.063194 1.079117 14 O 2.922552 1.447290 4.105865 3.330847 4.340713 15 C 3.116291 1.755733 3.383756 4.358513 5.167787 16 O 2.895698 1.442848 3.396745 3.205720 3.423038 17 C 3.897363 2.714157 4.308912 5.183746 6.208018 18 C 5.038473 4.006274 5.171888 6.434184 7.416006 19 C 5.481233 4.520394 5.269346 6.925066 7.714901 20 C 4.945244 4.007536 4.532375 6.316013 6.886356 21 C 3.792101 2.729961 3.532036 5.053016 5.582158 22 H 5.807563 4.840727 6.032092 7.182175 8.261508 23 O 6.732779 5.860460 6.394735 8.209872 8.977718 24 O 5.883646 5.081339 5.216145 7.199800 7.571055 25 H 3.786318 2.879173 3.342941 4.860521 5.116287 26 H 3.967345 2.843163 4.684485 5.092550 6.257398 27 C 7.586070 6.729918 7.382211 9.074143 9.977030 28 C 6.183852 5.852868 5.247294 7.550152 7.883964 29 H 8.518385 7.705285 8.202329 10.023916 10.875334 30 H 7.838246 6.741811 7.811817 9.255637 10.192920 31 H 7.336153 6.722545 7.161004 8.849450 9.847531 32 H 6.938624 6.599703 5.918025 8.211825 8.384791 33 H 6.746080 6.461354 5.856295 8.197441 8.660480 34 H 5.407870 5.403717 4.343988 6.763204 7.081422 11 12 13 14 15 11 H 0.000000 12 H 1.769583 0.000000 13 H 1.775310 1.772282 0.000000 14 O 4.182340 4.763322 5.180805 0.000000 15 C 4.794919 5.996827 5.648487 2.612282 0.000000 16 O 2.704311 4.093729 4.154088 2.495706 2.616313 17 C 5.969814 6.970071 6.703111 2.939781 1.380656 18 C 7.145570 8.241142 7.812809 4.317660 2.390706 19 C 7.331877 8.631682 8.000751 5.176505 2.764798 20 C 6.390649 7.847229 7.121408 4.990417 2.394365 21 C 5.059354 6.516801 5.900374 3.870443 1.394920 22 H 8.058412 9.042557 8.674198 4.908254 3.357010 23 O 8.588059 9.920291 9.199371 6.498152 4.105198 24 O 6.992667 8.570160 7.691889 6.189798 3.628279 25 H 4.467998 6.071994 5.378254 4.209442 2.151876 26 H 6.135375 6.898400 6.838507 2.537666 2.130189 27 C 9.664080 10.880448 10.231259 7.135889 5.004780 28 C 7.411423 8.936201 7.814033 7.043208 4.476888 29 H 10.536459 11.807501 11.079218 8.176040 5.960356 30 H 9.849659 11.037207 10.553204 6.970558 5.076535 31 H 9.650243 10.740640 10.061869 7.061774 5.066472 32 H 7.839391 9.434850 8.263433 7.852974 5.332249 33 H 8.263150 9.712837 8.584239 7.538990 4.947060 34 H 6.696224 8.150056 6.924076 6.658469 4.212850 16 17 18 19 20 16 O 0.000000 17 C 3.829710 0.000000 18 C 4.970324 1.388232 0.000000 19 C 5.187536 2.407204 1.388369 0.000000 20 C 4.351318 2.786961 2.418518 1.406513 0.000000 21 C 2.997766 2.415258 2.779853 2.404823 1.373001 22 H 5.901057 2.126585 1.071596 2.143472 3.395597 23 O 6.474799 3.661809 2.413087 1.342615 2.331749 24 O 5.145680 4.139975 3.658316 2.399272 1.353323 25 H 2.657696 3.387855 3.851575 3.374531 2.115356 26 H 4.127411 1.072216 2.142447 3.381498 3.859014 27 C 7.511227 4.212797 2.825601 2.377677 3.635823 28 C 5.978021 4.961747 4.425755 3.174500 2.358786 29 H 8.409424 5.257142 3.876330 3.234379 4.319047 30 H 7.528733 4.156612 2.826689 2.708556 4.012657 31 H 7.661940 4.145076 2.820513 2.706796 4.011832 32 H 6.526053 5.928828 5.422896 4.130348 3.222233 33 H 6.767873 5.154042 4.370166 3.106727 2.772240 34 H 5.570630 4.820388 4.512330 3.473553 2.570786 21 22 23 24 25 21 C 0.000000 22 H 3.851380 0.000000 23 O 3.594531 2.695663 0.000000 24 O 2.354135 4.536860 2.687966 0.000000 25 H 1.071767 4.923081 4.445765 2.574157 0.000000 26 H 3.384579 2.454429 4.547444 5.211841 4.271736 27 C 4.780075 2.536939 1.401167 4.087653 5.717257 28 C 3.248944 5.223343 3.192496 1.413867 3.346962 29 H 5.577018 3.610245 1.990368 4.472049 6.434257 30 H 5.024382 2.344133 2.058262 4.600294 5.998998 31 H 5.020070 2.344390 2.060313 4.617022 5.998313 32 H 4.010337 6.226662 4.037497 2.006514 3.881259 33 H 3.883995 4.987668 2.740270 2.062156 4.203542 34 H 3.078542 5.363760 3.775403 2.063373 3.071172 26 27 28 29 30 26 H 0.000000 27 C 4.871305 0.000000 28 C 6.010814 4.485875 0.000000 29 H 5.945931 1.078729 4.700779 0.000000 30 H 4.684448 1.084227 5.248089 1.763893 0.000000 31 H 4.676885 1.084456 4.831614 1.764804 1.772157 32 H 6.988941 5.313667 1.079973 5.384969 6.054820 33 H 6.168292 3.848248 1.082073 3.916024 4.741862 34 H 5.815515 5.025766 1.082724 5.370717 5.803627 31 32 33 34 31 H 0.000000 32 H 5.753918 0.000000 33 H 4.139050 1.766147 0.000000 34 H 5.175312 1.765988 1.771859 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.105011 2.306384 1.213401 2 1 0 2.968049 2.959325 2.059145 3 1 0 2.809166 2.792073 0.299000 4 1 0 4.130638 1.980082 1.154099 5 8 0 2.248339 1.181817 1.450812 6 15 0 2.251630 -0.207156 0.753831 7 16 0 1.261319 0.147217 -1.121072 8 8 0 1.603731 -1.284094 1.470583 9 8 0 3.734018 -0.419968 0.292682 10 6 0 4.281778 -1.706412 -0.047770 11 1 0 3.681319 -2.175242 -0.809313 12 1 0 5.273655 -1.509126 -0.419209 13 1 0 4.324637 -2.319828 0.839008 14 8 0 1.719404 1.431203 -1.607064 15 6 0 -0.446927 0.262563 -0.732246 16 8 0 1.492670 -1.035007 -1.915196 17 6 0 -1.010346 1.504740 -0.518317 18 6 0 -2.356963 1.595565 -0.193414 19 6 0 -3.126730 0.445992 -0.077174 20 6 0 -2.541777 -0.813515 -0.300220 21 6 0 -1.211228 -0.899655 -0.627867 22 1 0 -2.791227 2.562664 -0.037042 23 8 0 -4.430421 0.441154 0.243731 24 8 0 -3.283392 -1.943322 -0.229306 25 1 0 -0.775739 -1.862797 -0.805045 26 1 0 -0.413755 2.389626 -0.621768 27 6 0 -5.099139 1.648363 0.486074 28 6 0 -3.484364 -2.497858 1.055654 29 1 0 -6.117086 1.382377 0.724176 30 1 0 -5.091389 2.283641 -0.392511 31 1 0 -4.661673 2.180454 1.323659 32 1 0 -3.853759 -3.500688 0.900026 33 1 0 -4.215772 -1.924537 1.609934 34 1 0 -2.553290 -2.537424 1.606860 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6082294 0.1849027 0.1699941 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1943.4682271426 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.60D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999975 -0.005781 -0.002454 0.003206 Ang= -0.81 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.62254429 A.U. after 13 cycles NFock= 13 Conv=0.10D-07 -V/T= 2.0014 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.002037958 -0.000740293 0.000226130 2 1 -0.000220596 0.000192287 -0.000168415 3 1 -0.000084918 0.000271328 0.000428447 4 1 -0.000036220 -0.000386465 0.000128158 5 8 -0.002960173 0.000920738 -0.000630489 6 15 0.003978224 0.000026557 0.002527282 7 16 -0.003974953 -0.002412087 0.005813907 8 8 -0.000225064 0.000053193 0.000410973 9 8 0.000515861 0.000417869 0.000154600 10 6 -0.001635849 0.001057230 -0.001748642 11 1 0.000243035 0.000519916 0.000287652 12 1 0.000080191 0.000031755 0.000068093 13 1 0.000245391 0.000421866 0.000008730 14 8 0.003120666 -0.001082408 -0.005266879 15 6 -0.000129244 0.001293172 0.000857681 16 8 -0.000601057 0.000228190 -0.003027426 17 6 0.002770984 -0.000068590 -0.000752786 18 6 0.000204594 -0.001422799 0.000867716 19 6 0.000863821 0.002850575 -0.003048427 20 6 -0.000752428 -0.001555306 -0.000997114 21 6 -0.002608026 0.001184180 -0.000700421 22 1 0.000009410 0.000041586 -0.000014320 23 8 -0.000440654 -0.004906085 0.003668619 24 8 0.001628205 0.000013049 -0.000385163 25 1 0.000392989 -0.000263937 0.000198385 26 1 -0.000282040 0.000524946 -0.000395613 27 6 -0.000638690 0.000809535 0.000318681 28 6 -0.000557538 0.002438559 0.002146780 29 1 0.000124871 0.000044980 -0.000075728 30 1 -0.000070848 0.000104735 -0.000224391 31 1 0.000059459 0.000073595 -0.000042782 32 1 0.000070976 0.000272277 -0.000239012 33 1 -0.000743167 -0.000003777 -0.000375043 34 1 -0.000385169 -0.000950373 -0.000019186 ------------------------------------------------------------------- Cartesian Forces: Max 0.005813907 RMS 0.001562470 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005370233 RMS 0.001172770 Search for a local minimum. Step number 15 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 14 15 DE= -1.16D-03 DEPred=-1.36D-03 R= 8.56D-01 TightC=F SS= 1.41D+00 RLast= 5.65D-01 DXNew= 5.0454D+00 1.6944D+00 Trust test= 8.56D-01 RLast= 5.65D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00391 0.00446 0.00837 0.01096 0.01634 Eigenvalues --- 0.01738 0.01756 0.01934 0.02022 0.02112 Eigenvalues --- 0.02485 0.02645 0.02683 0.02728 0.02770 Eigenvalues --- 0.02870 0.03594 0.04633 0.05022 0.09817 Eigenvalues --- 0.09866 0.10103 0.10181 0.10441 0.10525 Eigenvalues --- 0.10529 0.10591 0.10803 0.10947 0.11048 Eigenvalues --- 0.11986 0.13577 0.15773 0.15884 0.15951 Eigenvalues --- 0.15991 0.15999 0.16000 0.16003 0.16006 Eigenvalues --- 0.16011 0.16016 0.16054 0.16097 0.16139 Eigenvalues --- 0.16289 0.16634 0.18487 0.19366 0.19831 Eigenvalues --- 0.22310 0.22706 0.23393 0.24061 0.24442 Eigenvalues --- 0.24923 0.25063 0.25470 0.25516 0.26921 Eigenvalues --- 0.28679 0.32945 0.33361 0.33454 0.33489 Eigenvalues --- 0.33593 0.33767 0.34052 0.34736 0.34799 Eigenvalues --- 0.34837 0.34861 0.34892 0.35065 0.35204 Eigenvalues --- 0.37002 0.38599 0.39035 0.39431 0.39701 Eigenvalues --- 0.40026 0.42204 0.44732 0.45071 0.46713 Eigenvalues --- 0.48024 0.49490 0.52701 0.53264 0.60524 Eigenvalues --- 0.60886 0.70610 0.73259 0.87399 0.90202 Eigenvalues --- 1.30325 RFO step: Lambda=-7.16978847D-04 EMin= 3.90890329D-03 Quartic linear search produced a step of 0.01140. Iteration 1 RMS(Cart)= 0.05625951 RMS(Int)= 0.00161970 Iteration 2 RMS(Cart)= 0.00191391 RMS(Int)= 0.00000742 Iteration 3 RMS(Cart)= 0.00000314 RMS(Int)= 0.00000708 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000708 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03562 0.00030 -0.00001 0.00062 0.00061 2.03623 R2 2.03490 0.00047 -0.00002 0.00059 0.00057 2.03547 R3 2.03697 0.00039 -0.00001 0.00081 0.00079 2.03776 R4 2.70891 -0.00126 0.00013 0.00075 0.00088 2.70979 R5 2.93671 0.00119 0.00001 0.00390 0.00391 2.94062 R6 4.06250 -0.00375 0.00014 -0.00852 -0.00839 4.05411 R7 2.73410 -0.00044 0.00002 0.00009 0.00012 2.73422 R8 2.96116 -0.00230 -0.00003 -0.00464 -0.00466 2.95650 R9 2.73498 -0.00537 0.00010 -0.00389 -0.00379 2.73120 R10 3.31785 -0.00041 0.00033 0.00461 0.00493 3.32279 R11 2.72659 -0.00214 0.00006 -0.00018 -0.00012 2.72646 R12 2.71942 -0.00258 0.00003 -0.00404 -0.00401 2.71541 R13 2.03556 0.00051 -0.00003 0.00060 0.00057 2.03613 R14 2.03592 0.00000 -0.00000 -0.00006 -0.00006 2.03586 R15 2.03923 -0.00026 0.00002 -0.00063 -0.00061 2.03862 R16 2.60906 -0.00100 0.00005 -0.00059 -0.00054 2.60852 R17 2.63602 -0.00145 -0.00001 -0.00161 -0.00161 2.63440 R18 2.62338 -0.00169 0.00004 -0.00146 -0.00143 2.62195 R19 2.02619 0.00017 -0.00001 -0.00002 -0.00002 2.02617 R20 2.62364 -0.00145 0.00004 -0.00137 -0.00134 2.62230 R21 2.02502 0.00003 -0.00000 0.00006 0.00006 2.02509 R22 2.65792 -0.00206 -0.00002 -0.00009 -0.00011 2.65782 R23 2.53717 -0.00522 0.00017 -0.00162 -0.00145 2.53572 R24 2.59460 -0.00100 0.00002 -0.00167 -0.00164 2.59295 R25 2.55741 -0.00061 0.00002 0.00155 0.00157 2.55898 R26 2.02535 0.00049 -0.00001 0.00058 0.00057 2.02592 R27 2.64782 0.00108 -0.00003 0.00213 0.00211 2.64993 R28 2.67182 -0.00233 0.00006 -0.00312 -0.00306 2.66877 R29 2.03850 0.00014 -0.00001 0.00017 0.00016 2.03866 R30 2.04889 -0.00008 0.00000 -0.00023 -0.00023 2.04866 R31 2.04933 -0.00005 0.00000 -0.00016 -0.00016 2.04916 R32 2.04085 0.00002 -0.00002 -0.00024 -0.00025 2.04060 R33 2.04482 0.00048 0.00003 0.00094 0.00097 2.04579 R34 2.04605 0.00100 -0.00004 0.00173 0.00168 2.04773 A1 1.93733 -0.00009 0.00003 0.00021 0.00023 1.93756 A2 1.92587 0.00003 -0.00000 -0.00000 -0.00000 1.92587 A3 1.84367 0.00009 -0.00006 -0.00119 -0.00125 1.84242 A4 1.92968 -0.00007 0.00007 0.00129 0.00136 1.93104 A5 1.90740 0.00025 0.00000 0.00180 0.00181 1.90921 A6 1.91798 -0.00020 -0.00004 -0.00224 -0.00228 1.91570 A7 2.24673 -0.00411 -0.00012 -0.01513 -0.01525 2.23148 A8 1.81609 -0.00007 0.00005 0.00295 0.00299 1.81908 A9 2.02879 0.00087 -0.00018 0.00466 0.00448 2.03327 A10 1.82903 -0.00093 0.00013 -0.00638 -0.00624 1.82279 A11 1.92673 0.00008 -0.00004 0.00068 0.00062 1.92735 A12 1.77370 -0.00056 0.00003 -0.00290 -0.00287 1.77083 A13 2.05820 0.00037 0.00004 0.00036 0.00041 2.05861 A14 1.86847 -0.00022 0.00007 0.00148 0.00155 1.87002 A15 1.83992 0.00142 -0.00010 0.00014 0.00004 1.83995 A16 1.84531 -0.00114 0.00005 -0.00780 -0.00776 1.83756 A17 1.90079 -0.00143 0.00010 -0.00320 -0.00309 1.89769 A18 2.08443 0.00236 -0.00020 0.00810 0.00790 2.09233 A19 1.90893 -0.00096 0.00009 0.00038 0.00046 1.90939 A20 2.15450 -0.00255 0.00027 -0.00290 -0.00263 2.15188 A21 1.92214 -0.00060 -0.00002 -0.00387 -0.00389 1.91825 A22 1.84243 0.00022 -0.00004 -0.00048 -0.00052 1.84191 A23 1.90590 0.00005 0.00000 0.00040 0.00040 1.90630 A24 1.92748 -0.00005 0.00007 0.00068 0.00074 1.92822 A25 1.93446 0.00008 0.00003 0.00104 0.00108 1.93554 A26 1.92927 0.00030 -0.00004 0.00210 0.00205 1.93132 A27 2.08342 0.00172 -0.00017 0.00242 0.00225 2.08567 A28 2.08855 -0.00114 0.00012 -0.00064 -0.00052 2.08803 A29 2.11113 -0.00058 0.00006 -0.00174 -0.00167 2.10946 A30 2.08400 0.00044 -0.00004 0.00194 0.00190 2.08590 A31 2.09497 0.00048 -0.00006 0.00070 0.00064 2.09561 A32 2.10403 -0.00092 0.00010 -0.00262 -0.00252 2.10151 A33 2.09814 -0.00019 -0.00001 -0.00092 -0.00092 2.09722 A34 2.07864 0.00012 0.00002 0.00060 0.00062 2.07927 A35 2.10640 0.00007 -0.00001 0.00031 0.00030 2.10669 A36 2.09163 0.00016 -0.00000 -0.00033 -0.00033 2.09130 A37 2.16683 0.00172 -0.00004 0.00241 0.00236 2.16918 A38 2.02473 -0.00188 0.00004 -0.00207 -0.00203 2.02270 A39 2.09100 0.00002 0.00005 0.00031 0.00035 2.09134 A40 2.10757 -0.00274 -0.00007 -0.00613 -0.00622 2.10135 A41 2.08424 0.00272 0.00003 0.00551 0.00552 2.08976 A42 2.09043 0.00016 -0.00006 0.00073 0.00067 2.09110 A43 2.11032 0.00000 -0.00002 -0.00121 -0.00124 2.10908 A44 2.08242 -0.00016 0.00008 0.00045 0.00052 2.08294 A45 2.09631 0.00005 -0.00002 0.00088 0.00086 2.09717 A46 2.04087 -0.00387 -0.00011 -0.01032 -0.01042 2.03044 A47 1.85053 -0.00018 -0.00002 -0.00125 -0.00127 1.84927 A48 1.94041 0.00039 -0.00001 0.00144 0.00143 1.94184 A49 1.94313 0.00005 0.00001 -0.00024 -0.00023 1.94290 A50 1.90718 -0.00012 0.00002 -0.00012 -0.00010 1.90708 A51 1.90834 -0.00006 0.00000 -0.00024 -0.00024 1.90811 A52 1.91293 -0.00010 0.00000 0.00034 0.00034 1.91326 A53 1.85652 0.00019 -0.00005 -0.00158 -0.00162 1.85489 A54 1.93244 0.00004 -0.00005 0.00140 0.00135 1.93378 A55 1.93347 0.00004 -0.00002 0.00032 0.00030 1.93377 A56 1.91199 0.00007 -0.00002 -0.00052 -0.00054 1.91145 A57 1.91088 0.00001 0.00009 0.00113 0.00123 1.91210 A58 1.91755 -0.00033 0.00005 -0.00077 -0.00072 1.91682 D1 -2.87921 -0.00020 -0.00096 -0.02500 -0.02597 -2.90518 D2 1.31856 -0.00027 -0.00096 -0.02552 -0.02648 1.29208 D3 -0.80184 -0.00021 -0.00102 -0.02685 -0.02786 -0.82970 D4 -1.37074 0.00025 0.00142 0.00971 0.01114 -1.35960 D5 2.79023 -0.00032 0.00154 0.00391 0.00544 2.79567 D6 0.48487 -0.00069 0.00151 0.00543 0.00694 0.49181 D7 0.69401 -0.00211 -0.00107 -0.03039 -0.03146 0.66254 D8 -1.32817 -0.00105 -0.00117 -0.02748 -0.02866 -1.35683 D9 2.93399 -0.00010 -0.00125 -0.02452 -0.02578 2.90821 D10 2.88272 -0.00105 -0.00128 -0.02249 -0.02376 2.85896 D11 0.86055 0.00000 -0.00138 -0.01958 -0.02096 0.83959 D12 -1.16048 0.00096 -0.00146 -0.01662 -0.01808 -1.17856 D13 -1.20281 -0.00091 -0.00123 -0.02346 -0.02470 -1.22750 D14 3.05820 0.00015 -0.00133 -0.02056 -0.02189 3.03631 D15 1.03717 0.00110 -0.00141 -0.01759 -0.01901 1.01816 D16 2.81908 0.00080 -0.00039 0.05356 0.05316 2.87225 D17 -1.57730 0.00025 -0.00029 0.05381 0.05353 -1.52377 D18 0.53066 0.00015 -0.00030 0.05272 0.05242 0.58308 D19 1.65511 0.00049 -0.00002 0.02152 0.02151 1.67663 D20 -1.47299 0.00061 -0.00047 0.01719 0.01671 -1.45628 D21 -0.34480 0.00069 -0.00009 0.02122 0.02113 -0.32367 D22 2.81028 0.00082 -0.00055 0.01688 0.01633 2.82661 D23 -2.65113 -0.00055 0.00003 0.01278 0.01280 -2.63833 D24 0.50395 -0.00042 -0.00043 0.00844 0.00801 0.51195 D25 0.95918 0.00035 0.00070 0.02783 0.02854 0.98772 D26 3.03992 0.00011 0.00075 0.02634 0.02709 3.06701 D27 -1.16881 0.00060 0.00068 0.02875 0.02942 -1.13938 D28 -3.12678 0.00007 -0.00021 -0.00267 -0.00288 -3.12966 D29 0.03514 0.00004 -0.00026 -0.00355 -0.00382 0.03132 D30 0.00115 -0.00006 0.00025 0.00173 0.00199 0.00314 D31 -3.12012 -0.00009 0.00020 0.00085 0.00105 -3.11907 D32 3.12115 0.00002 0.00022 0.00409 0.00431 3.12545 D33 -0.02599 -0.00021 0.00027 -0.00273 -0.00247 -0.02845 D34 -0.00674 0.00013 -0.00024 -0.00035 -0.00059 -0.00733 D35 3.12931 -0.00010 -0.00019 -0.00717 -0.00736 3.12195 D36 0.00674 -0.00004 -0.00004 -0.00131 -0.00135 0.00539 D37 -3.13211 0.00003 -0.00016 0.00011 -0.00005 -3.13216 D38 3.12790 0.00002 0.00001 -0.00039 -0.00038 3.12753 D39 -0.01095 0.00008 -0.00011 0.00104 0.00093 -0.01002 D40 -0.00904 0.00005 -0.00018 -0.00045 -0.00064 -0.00968 D41 3.13134 0.00016 -0.00036 0.00290 0.00254 3.13388 D42 3.12977 -0.00001 -0.00006 -0.00190 -0.00197 3.12780 D43 -0.01303 0.00009 -0.00024 0.00146 0.00122 -0.01182 D44 0.00342 0.00002 0.00020 0.00185 0.00205 0.00547 D45 -3.10852 0.00025 -0.00007 0.01380 0.01370 -3.09482 D46 -3.13706 -0.00008 0.00036 -0.00125 -0.00088 -3.13793 D47 0.03418 0.00015 0.00010 0.01071 0.01078 0.04496 D48 -0.00038 0.00024 0.00036 0.00946 0.00982 0.00944 D49 3.14004 0.00034 0.00019 0.01271 0.01289 -3.13025 D50 0.00438 -0.00011 0.00001 -0.00144 -0.00142 0.00296 D51 -3.13176 0.00012 -0.00004 0.00528 0.00525 -3.12650 D52 3.11673 -0.00043 0.00026 -0.01343 -0.01320 3.10353 D53 -0.01941 -0.00020 0.00022 -0.00671 -0.00652 -0.02594 D54 -1.46141 0.00037 -0.00116 -0.05618 -0.05734 -1.51874 D55 1.70972 0.00065 -0.00142 -0.04418 -0.04561 1.66412 D56 -3.13750 0.00001 -0.00015 -0.00541 -0.00556 3.14013 D57 1.07470 0.00004 -0.00015 -0.00530 -0.00545 1.06926 D58 -1.06364 -0.00014 -0.00015 -0.00658 -0.00673 -1.07037 D59 -2.88519 -0.00076 -0.00180 -0.07754 -0.07934 -2.96454 D60 1.32199 -0.00097 -0.00172 -0.07675 -0.07846 1.24353 D61 -0.80996 -0.00061 -0.00173 -0.07695 -0.07868 -0.88863 Item Value Threshold Converged? Maximum Force 0.005370 0.000450 NO RMS Force 0.001173 0.000300 NO Maximum Displacement 0.230656 0.001800 NO RMS Displacement 0.056527 0.001200 NO Predicted change in Energy=-3.751834D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.685496 -0.472649 -1.250916 2 1 0 -0.070248 -0.317394 -2.003122 3 1 0 0.745193 0.370690 -0.583526 4 1 0 0.486877 -1.378950 -0.701391 5 8 0 1.920908 -0.601037 -1.967518 6 15 0 3.286471 -1.119772 -1.431207 7 16 0 4.079242 0.534995 -0.319561 8 8 0 4.241556 -1.566466 -2.422043 9 8 0 2.903494 -2.110816 -0.282792 10 6 0 3.823824 -3.060615 0.279038 11 1 0 4.697090 -2.550026 0.650052 12 1 0 3.292082 -3.534074 1.087569 13 1 0 4.092281 -3.783885 -0.475021 14 8 0 2.968547 1.164096 0.358261 15 6 0 4.709322 1.649193 -1.525102 16 8 0 5.173117 -0.010763 0.446733 17 6 0 3.926686 2.703370 -1.951258 18 6 0 4.418098 3.574445 -2.912943 19 6 0 5.684761 3.381949 -3.445969 20 6 0 6.475239 2.307377 -3.000371 21 6 0 5.987334 1.451180 -2.045582 22 1 0 3.808786 4.395841 -3.232997 23 8 0 6.237455 4.166580 -4.383752 24 8 0 7.733258 2.140072 -3.472744 25 1 0 6.601790 0.642898 -1.701411 26 1 0 2.953690 2.855818 -1.527392 27 6 0 5.533132 5.272069 -4.881966 28 6 0 7.860360 1.397607 -4.667332 29 1 0 6.181628 5.733064 -5.610512 30 1 0 5.314190 5.985557 -4.095656 31 1 0 4.610972 4.967297 -5.364243 32 1 0 8.915901 1.209670 -4.796035 33 1 0 7.487862 1.962427 -5.512443 34 1 0 7.330603 0.455254 -4.592850 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077529 0.000000 3 H 1.077122 1.775853 0.000000 4 H 1.078336 1.769687 1.772529 0.000000 5 O 1.433961 2.011572 2.059610 2.065108 0.000000 6 P 2.686325 3.498351 3.065638 2.904743 1.556110 7 S 3.660639 4.558422 3.348516 4.088284 2.943593 8 O 3.900453 4.508584 4.399690 4.134419 2.554222 9 O 2.922391 3.875441 3.302511 2.559471 2.466417 10 C 4.345967 5.281791 4.689973 3.863219 3.836356 11 H 4.901230 5.895040 5.066536 4.574245 4.284556 12 H 4.651357 5.586114 4.952412 3.964103 4.451560 13 H 4.813781 5.628348 5.336223 4.339804 4.131940 14 O 3.237391 4.123738 2.541606 3.707915 3.102014 15 C 4.557254 5.190401 4.270300 5.260912 3.610336 16 O 4.820175 5.795575 4.562177 5.015075 4.093152 17 C 4.591610 5.010308 4.175403 5.482681 3.865555 18 C 5.750966 6.009945 5.401895 6.699372 4.956252 19 C 6.683474 6.991929 6.454502 7.564183 5.675966 20 C 6.656595 7.122312 6.513473 7.398297 5.501599 21 C 5.695796 6.310622 5.548433 6.330207 4.555602 22 H 6.114391 6.226884 5.710266 7.126873 5.489473 23 O 7.884247 8.096946 7.682151 8.796695 6.870294 24 O 7.837970 8.312258 7.766039 8.519035 6.600212 25 H 6.037376 6.747538 5.968542 6.517673 4.850654 26 H 4.037305 4.409058 3.456039 4.969981 3.634584 27 C 8.347807 8.421860 8.088540 9.336914 7.485690 28 C 8.163849 8.540128 8.267868 8.820783 6.823538 29 H 9.366130 9.418453 9.142235 10.349415 8.458485 30 H 8.439536 8.549741 8.045964 9.437158 7.708862 31 H 7.869042 7.819137 7.676477 8.889611 7.055531 32 H 9.117984 9.533267 9.230905 9.721909 7.759453 33 H 8.388229 8.639326 8.502438 9.128243 7.080171 34 H 7.495797 7.878850 7.710348 8.083585 6.105155 6 7 8 9 10 6 P 0.000000 7 S 2.145343 0.000000 8 O 1.446886 2.977065 0.000000 9 O 1.564511 2.895522 2.581302 0.000000 10 C 2.642074 3.654035 3.114935 1.436934 0.000000 11 H 2.892596 3.292300 3.257709 2.068838 1.077472 12 H 3.489000 4.376866 4.134049 2.013592 1.077328 13 H 2.942978 4.321697 2.954678 2.061390 1.078793 14 O 2.918788 1.445286 4.099587 3.337698 4.311143 15 C 3.114561 1.758342 3.371020 4.352242 5.120675 16 O 2.883746 1.442782 3.393802 3.177045 3.339208 17 C 3.911105 2.718007 4.307236 5.196834 6.181288 18 C 5.050920 4.009827 5.167312 6.444680 7.386875 19 C 5.484209 4.522971 5.255291 6.921821 7.671075 20 C 4.937192 4.008601 4.508932 6.297859 6.826409 21 C 3.779142 2.731183 3.506516 5.030439 5.517330 22 H 5.825912 4.844315 6.032748 7.201378 8.242169 23 O 6.735826 5.862077 6.379634 8.206026 8.933061 24 O 5.879487 5.086322 5.199460 7.181397 7.510438 25 H 3.764486 2.878263 3.312296 4.824190 5.035402 26 H 3.990653 2.848147 4.692078 5.120449 6.246960 27 C 7.603346 6.735668 7.381393 9.087046 9.949439 28 C 6.142489 5.826154 5.188718 7.490243 7.786908 29 H 8.532870 7.709352 8.198375 10.032806 10.843192 30 H 7.854721 6.744822 7.809263 9.268260 10.158365 31 H 7.367189 6.736234 7.175170 8.878981 9.844470 32 H 6.959803 6.624748 5.932308 8.218518 8.361875 33 H 6.618771 6.373561 5.704574 8.059590 8.496904 34 H 5.369516 5.370169 4.282753 6.690337 6.956589 11 12 13 14 15 11 H 0.000000 12 H 1.770260 0.000000 13 H 1.775948 1.773249 0.000000 14 O 4.107031 4.765435 5.141950 0.000000 15 C 4.729152 5.975021 5.567921 2.610110 0.000000 16 O 2.591486 4.045082 4.031661 2.499650 2.618910 17 C 5.912572 6.967274 6.655162 2.936201 1.380369 18 C 7.090974 8.234261 7.758520 4.314134 2.391131 19 C 7.276071 8.608673 7.919072 5.173863 2.764716 20 C 6.331016 7.808092 7.011373 4.988425 2.393342 21 C 4.994079 6.475630 5.784790 3.869619 1.394067 22 H 8.007011 9.045321 8.636824 4.903806 3.357372 23 O 8.533739 9.894981 9.115363 6.495180 4.104182 24 O 6.943542 8.527393 7.572075 6.191252 3.630215 25 H 4.399093 6.014954 5.234316 4.208841 2.150615 26 H 6.083080 6.912543 6.818323 2.533344 2.130304 27 C 9.617035 10.872250 10.173865 7.135302 5.007239 28 C 7.339254 8.849267 7.656484 7.017190 4.457123 29 H 10.488474 11.793795 11.014125 8.174693 5.961230 30 H 9.785639 11.026247 10.490189 6.970359 5.077172 31 H 9.627528 10.753541 10.037764 7.064626 5.075282 32 H 7.848156 9.420576 8.177656 7.870189 5.346728 33 H 8.131850 9.559093 8.362158 7.451625 4.870040 34 H 6.592050 8.030664 6.738957 6.636527 4.208050 16 17 18 19 20 16 O 0.000000 17 C 3.830204 0.000000 18 C 4.971035 1.387478 0.000000 19 C 5.188969 2.405298 1.387662 0.000000 20 C 4.353368 2.784344 2.417629 1.406456 0.000000 21 C 3.001976 2.413119 2.779040 2.404267 1.372132 22 H 5.900845 2.126315 1.071629 2.143039 3.394963 23 O 6.474302 3.660282 2.413289 1.341847 2.329575 24 O 5.151961 4.137900 3.655282 2.395687 1.354156 25 H 2.661371 3.385875 3.851011 3.374437 2.115137 26 H 4.127991 1.072205 2.140249 3.378831 3.856392 27 C 7.512187 4.215203 2.828831 2.378578 3.635570 28 C 5.946296 4.955388 4.434599 3.187879 2.350532 29 H 8.408260 5.258702 3.878988 3.234171 4.316755 30 H 7.523899 4.158890 2.831123 2.708910 4.009575 31 H 7.672322 4.152358 2.825970 2.710374 4.017282 32 H 6.556257 5.934321 5.419265 4.120891 3.222764 33 H 6.690538 5.090482 4.333526 3.088128 2.730367 34 H 5.501755 4.859906 4.586297 3.548193 2.588049 21 22 23 24 25 21 C 0.000000 22 H 3.850591 0.000000 23 O 3.592074 2.697264 0.000000 24 O 2.357883 4.532931 2.678451 0.000000 25 H 1.072068 4.922521 4.443426 2.580576 0.000000 26 H 3.382975 2.451927 4.545327 5.209698 4.270355 27 C 4.780227 2.541702 1.402282 4.078710 5.717271 28 C 3.222525 5.240418 3.222026 1.412250 3.309120 29 H 5.575033 3.615400 1.990459 4.459507 6.431749 30 H 5.021603 2.353215 2.060120 4.585594 5.994525 31 H 5.027022 2.347823 2.061057 4.617320 6.006673 32 H 4.024901 6.219116 4.010906 2.003845 3.905515 33 H 3.812097 4.965177 2.774121 2.062074 4.129195 34 H 3.047099 5.457162 3.874614 2.062857 2.987775 26 27 28 29 30 26 H 0.000000 27 C 4.872880 0.000000 28 C 6.005082 4.524767 0.000000 29 H 5.947267 1.078814 4.743829 0.000000 30 H 4.686492 1.084105 5.278170 1.763799 0.000000 31 H 4.682557 1.084369 4.877181 1.764655 1.772197 32 H 6.995841 5.287116 1.079839 5.347964 6.022620 33 H 6.102253 3.895151 1.082584 3.991687 4.787244 34 H 5.858080 5.149388 1.083614 5.496458 5.907400 31 32 33 34 31 H 0.000000 32 H 5.742390 0.000000 33 H 4.162656 1.766120 0.000000 34 H 5.324469 1.767371 1.772555 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.170130 2.265746 1.215081 2 1 0 3.049583 2.934619 2.051230 3 1 0 2.888975 2.745818 0.292760 4 1 0 4.186555 1.909316 1.163627 5 8 0 2.283643 1.167790 1.469788 6 15 0 2.248117 -0.215712 0.758353 7 16 0 1.261489 0.175390 -1.106077 8 8 0 1.583669 -1.288646 1.466027 9 8 0 3.721490 -0.450033 0.287225 10 6 0 4.222054 -1.730822 -0.129662 11 1 0 3.621406 -2.114098 -0.937912 12 1 0 5.231147 -1.551984 -0.461904 13 1 0 4.212356 -2.406750 0.711064 14 8 0 1.714460 1.468982 -1.564648 15 6 0 -0.449760 0.282007 -0.716172 16 8 0 1.496794 -0.996536 -1.914065 17 6 0 -1.022347 1.519674 -0.502298 18 6 0 -2.369429 1.603197 -0.180600 19 6 0 -3.132390 0.449509 -0.068798 20 6 0 -2.539393 -0.805783 -0.293994 21 6 0 -1.208032 -0.883567 -0.616753 22 1 0 -2.809691 2.567648 -0.024421 23 8 0 -4.436737 0.433419 0.245804 24 8 0 -3.284777 -1.935101 -0.241227 25 1 0 -0.767197 -1.843381 -0.800469 26 1 0 -0.432121 2.409194 -0.602347 27 6 0 -5.120943 1.635718 0.475448 28 6 0 -3.436452 -2.526749 1.032114 29 1 0 -6.138037 1.358919 0.705102 30 1 0 -5.112332 2.267362 -0.405594 31 1 0 -4.697765 2.176011 1.315008 32 1 0 -3.891545 -3.491683 0.865243 33 1 0 -4.081817 -1.926294 1.660561 34 1 0 -2.474056 -2.657834 1.512560 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6103144 0.1852609 0.1700233 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1945.2447902191 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.57D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999976 -0.006844 -0.000935 0.000753 Ang= -0.80 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.62303356 A.U. after 12 cycles NFock= 12 Conv=0.90D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.001280763 -0.000853104 -0.000241139 2 1 -0.000143624 0.000193608 0.000072207 3 1 -0.000118527 0.000009552 0.000145029 4 1 -0.000204599 0.000033748 -0.000025712 5 8 -0.001113575 0.000563782 -0.000018542 6 15 0.002074819 0.000240704 0.000192612 7 16 -0.002068285 -0.001215065 0.001374978 8 8 -0.000450384 0.000468977 0.000263801 9 8 -0.000362491 0.000148073 0.001187404 10 6 -0.000627964 0.000358592 -0.000787147 11 1 0.000024883 -0.000192993 0.000314049 12 1 0.000193324 -0.000331205 0.000043450 13 1 0.000199440 0.000019619 -0.000013022 14 8 0.002234498 -0.000284289 -0.002711102 15 6 -0.000636854 0.000707855 0.001857848 16 8 -0.000465394 0.001216531 -0.001825292 17 6 0.001492570 -0.000399177 -0.000143004 18 6 0.000229800 -0.000973269 0.000384385 19 6 0.001603929 0.002654694 -0.003131405 20 6 0.000027722 -0.000191684 -0.000244238 21 6 -0.001344176 0.000475643 -0.000160088 22 1 -0.000033927 0.000031119 -0.000015941 23 8 -0.001098967 -0.003791963 0.003160744 24 8 0.000154047 -0.000512467 -0.000154036 25 1 0.000330210 -0.000193573 0.000028834 26 1 -0.000312688 0.000323641 -0.000240094 27 6 -0.000173405 0.000140220 0.000224738 28 6 -0.000015072 0.001831644 0.001381042 29 1 0.000037991 0.000045138 -0.000038541 30 1 -0.000033935 -0.000026896 -0.000008555 31 1 -0.000001039 0.000049200 -0.000007162 32 1 0.000084463 0.000004071 -0.000460808 33 1 -0.000649753 -0.000107321 -0.000295330 34 1 -0.000113800 -0.000443407 -0.000109963 ------------------------------------------------------------------- Cartesian Forces: Max 0.003791963 RMS 0.000986545 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004946824 RMS 0.000759349 Search for a local minimum. Step number 16 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 15 16 DE= -4.89D-04 DEPred=-3.75D-04 R= 1.30D+00 TightC=F SS= 1.41D+00 RLast= 2.15D-01 DXNew= 5.0454D+00 6.4416D-01 Trust test= 1.30D+00 RLast= 2.15D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00349 0.00556 0.00838 0.00889 0.01524 Eigenvalues --- 0.01684 0.01778 0.01951 0.02025 0.02132 Eigenvalues --- 0.02499 0.02651 0.02690 0.02745 0.02773 Eigenvalues --- 0.02870 0.03546 0.04587 0.05014 0.09842 Eigenvalues --- 0.09980 0.10057 0.10249 0.10448 0.10512 Eigenvalues --- 0.10543 0.10579 0.10717 0.10957 0.11069 Eigenvalues --- 0.11845 0.13554 0.15666 0.15855 0.15959 Eigenvalues --- 0.15993 0.15994 0.15999 0.16002 0.16007 Eigenvalues --- 0.16011 0.16019 0.16053 0.16118 0.16213 Eigenvalues --- 0.16297 0.16668 0.18497 0.19421 0.20432 Eigenvalues --- 0.22151 0.22705 0.22790 0.24074 0.24471 Eigenvalues --- 0.24660 0.24959 0.25507 0.25812 0.26167 Eigenvalues --- 0.28911 0.32578 0.33309 0.33458 0.33488 Eigenvalues --- 0.33581 0.33755 0.34049 0.34340 0.34799 Eigenvalues --- 0.34841 0.34862 0.34878 0.34895 0.35255 Eigenvalues --- 0.36998 0.38587 0.38996 0.39198 0.39706 Eigenvalues --- 0.40043 0.42738 0.45015 0.45333 0.47555 Eigenvalues --- 0.48057 0.48996 0.52564 0.53605 0.59779 Eigenvalues --- 0.61104 0.69249 0.72995 0.80144 0.87434 Eigenvalues --- 1.27558 RFO step: Lambda=-4.89743001D-04 EMin= 3.49499661D-03 Quartic linear search produced a step of 0.47330. Iteration 1 RMS(Cart)= 0.05282692 RMS(Int)= 0.00084061 Iteration 2 RMS(Cart)= 0.00132174 RMS(Int)= 0.00000461 Iteration 3 RMS(Cart)= 0.00000188 RMS(Int)= 0.00000440 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000440 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03623 0.00008 0.00029 0.00033 0.00062 2.03685 R2 2.03547 0.00009 0.00027 0.00006 0.00033 2.03580 R3 2.03776 -0.00000 0.00038 0.00009 0.00046 2.03822 R4 2.70979 -0.00078 0.00042 -0.00129 -0.00087 2.70893 R5 2.94062 0.00027 0.00185 0.00242 0.00428 2.94490 R6 4.05411 -0.00137 -0.00397 -0.00644 -0.01041 4.04370 R7 2.73422 -0.00062 0.00005 -0.00083 -0.00078 2.73344 R8 2.95650 0.00069 -0.00221 0.00340 0.00120 2.95769 R9 2.73120 -0.00311 -0.00179 -0.00438 -0.00617 2.72502 R10 3.32279 -0.00179 0.00233 -0.00072 0.00161 3.32440 R11 2.72646 -0.00178 -0.00006 -0.00221 -0.00227 2.72420 R12 2.71541 -0.00021 -0.00190 -0.00085 -0.00274 2.71267 R13 2.03613 0.00004 0.00027 -0.00001 0.00026 2.03639 R14 2.03586 0.00008 -0.00003 0.00030 0.00027 2.03612 R15 2.03862 0.00005 -0.00029 0.00015 -0.00014 2.03849 R16 2.60852 -0.00089 -0.00026 -0.00186 -0.00212 2.60640 R17 2.63440 -0.00044 -0.00076 -0.00225 -0.00301 2.63140 R18 2.62195 -0.00083 -0.00067 -0.00246 -0.00314 2.61881 R19 2.02617 0.00023 -0.00001 0.00047 0.00046 2.02663 R20 2.62230 -0.00071 -0.00063 -0.00091 -0.00155 2.62076 R21 2.02509 0.00005 0.00003 0.00011 0.00014 2.02523 R22 2.65782 -0.00162 -0.00005 -0.00123 -0.00128 2.65654 R23 2.53572 -0.00495 -0.00069 -0.00510 -0.00579 2.52994 R24 2.59295 -0.00044 -0.00078 0.00014 -0.00064 2.59231 R25 2.55898 -0.00072 0.00075 -0.00072 0.00003 2.55901 R26 2.02592 0.00034 0.00027 0.00059 0.00086 2.02678 R27 2.64993 0.00019 0.00100 0.00046 0.00146 2.65139 R28 2.66877 -0.00117 -0.00145 -0.00305 -0.00450 2.66427 R29 2.03866 0.00007 0.00008 0.00040 0.00048 2.03914 R30 2.04866 -0.00002 -0.00011 -0.00008 -0.00019 2.04847 R31 2.04916 -0.00001 -0.00008 -0.00005 -0.00013 2.04903 R32 2.04060 0.00014 -0.00012 0.00056 0.00044 2.04104 R33 2.04579 0.00040 0.00046 -0.00026 0.00020 2.04598 R34 2.04773 0.00043 0.00080 0.00163 0.00243 2.05016 A1 1.93756 -0.00022 0.00011 -0.00199 -0.00188 1.93568 A2 1.92587 -0.00013 -0.00000 -0.00150 -0.00150 1.92437 A3 1.84242 0.00016 -0.00059 0.00110 0.00051 1.84293 A4 1.93104 -0.00015 0.00064 -0.00062 0.00002 1.93106 A5 1.90921 0.00014 0.00086 0.00086 0.00171 1.91092 A6 1.91570 0.00023 -0.00108 0.00230 0.00122 1.91692 A7 2.23148 -0.00140 -0.00722 -0.00787 -0.01509 2.21639 A8 1.81908 -0.00020 0.00142 -0.00075 0.00066 1.81974 A9 2.03327 0.00025 0.00212 -0.00052 0.00159 2.03486 A10 1.82279 -0.00060 -0.00296 -0.00211 -0.00507 1.81772 A11 1.92735 -0.00033 0.00029 -0.00006 0.00023 1.92758 A12 1.77083 0.00078 -0.00136 0.00326 0.00190 1.77273 A13 2.05861 0.00014 0.00019 0.00052 0.00071 2.05932 A14 1.87002 0.00024 0.00073 0.00301 0.00376 1.87377 A15 1.83995 0.00137 0.00002 0.00538 0.00540 1.84536 A16 1.83756 -0.00000 -0.00367 -0.00199 -0.00565 1.83191 A17 1.89769 -0.00112 -0.00146 -0.00528 -0.00675 1.89094 A18 2.09233 0.00107 0.00374 0.00607 0.00980 2.10213 A19 1.90939 -0.00134 0.00022 -0.00646 -0.00625 1.90314 A20 2.15188 -0.00049 -0.00124 0.00002 -0.00122 2.15066 A21 1.91825 0.00031 -0.00184 0.00287 0.00103 1.91927 A22 1.84191 0.00045 -0.00025 0.00330 0.00305 1.84496 A23 1.90630 0.00001 0.00019 0.00121 0.00139 1.90769 A24 1.92822 -0.00033 0.00035 -0.00268 -0.00233 1.92590 A25 1.93554 -0.00018 0.00051 -0.00197 -0.00146 1.93408 A26 1.93132 -0.00022 0.00097 -0.00239 -0.00142 1.92991 A27 2.08567 0.00103 0.00106 0.00396 0.00502 2.09069 A28 2.08803 -0.00089 -0.00025 -0.00344 -0.00369 2.08434 A29 2.10946 -0.00014 -0.00079 -0.00056 -0.00135 2.10810 A30 2.08590 0.00000 0.00090 -0.00034 0.00055 2.08646 A31 2.09561 0.00044 0.00030 0.00351 0.00381 2.09942 A32 2.10151 -0.00044 -0.00119 -0.00315 -0.00434 2.09716 A33 2.09722 0.00004 -0.00044 0.00125 0.00081 2.09803 A34 2.07927 -0.00003 0.00029 -0.00057 -0.00028 2.07899 A35 2.10669 -0.00001 0.00014 -0.00070 -0.00056 2.10613 A36 2.09130 0.00013 -0.00015 -0.00021 -0.00037 2.09092 A37 2.16918 0.00099 0.00112 0.00039 0.00149 2.17068 A38 2.02270 -0.00112 -0.00096 -0.00019 -0.00116 2.02154 A39 2.09134 0.00002 0.00016 -0.00184 -0.00168 2.08967 A40 2.10135 -0.00200 -0.00294 0.00271 -0.00024 2.10111 A41 2.08976 0.00199 0.00261 -0.00068 0.00192 2.09168 A42 2.09110 -0.00005 0.00032 0.00175 0.00207 2.09317 A43 2.10908 0.00019 -0.00059 0.00076 0.00017 2.10925 A44 2.08294 -0.00015 0.00024 -0.00246 -0.00222 2.08071 A45 2.09717 -0.00049 0.00041 -0.00165 -0.00124 2.09593 A46 2.03044 -0.00217 -0.00493 0.00189 -0.00305 2.02740 A47 1.84927 0.00001 -0.00060 0.00098 0.00038 1.84965 A48 1.94184 -0.00001 0.00068 -0.00092 -0.00024 1.94159 A49 1.94290 0.00007 -0.00011 -0.00058 -0.00069 1.94221 A50 1.90708 -0.00000 -0.00005 0.00033 0.00028 1.90736 A51 1.90811 -0.00002 -0.00011 0.00024 0.00013 1.90823 A52 1.91326 -0.00005 0.00016 0.00001 0.00017 1.91343 A53 1.85489 0.00065 -0.00077 0.00105 0.00028 1.85518 A54 1.93378 -0.00003 0.00064 0.00523 0.00587 1.93965 A55 1.93377 0.00005 0.00014 0.00046 0.00061 1.93438 A56 1.91145 -0.00007 -0.00025 -0.00037 -0.00063 1.91082 A57 1.91210 -0.00015 0.00058 -0.00151 -0.00093 1.91117 A58 1.91682 -0.00043 -0.00034 -0.00473 -0.00507 1.91175 D1 -2.90518 -0.00027 -0.01229 -0.01928 -0.03157 -2.93675 D2 1.29208 -0.00017 -0.01253 -0.01799 -0.03052 1.26156 D3 -0.82970 -0.00022 -0.01319 -0.01924 -0.03242 -0.86212 D4 -1.35960 -0.00072 0.00527 -0.01747 -0.01219 -1.37179 D5 2.79567 -0.00030 0.00257 -0.01652 -0.01395 2.78172 D6 0.49181 -0.00014 0.00328 -0.01490 -0.01162 0.48019 D7 0.66254 -0.00098 -0.01489 -0.02516 -0.04005 0.62249 D8 -1.35683 -0.00047 -0.01356 -0.02306 -0.03663 -1.39346 D9 2.90821 0.00044 -0.01220 -0.01727 -0.02947 2.87874 D10 2.85896 -0.00100 -0.01125 -0.02631 -0.03756 2.82141 D11 0.83959 -0.00049 -0.00992 -0.02422 -0.03414 0.80545 D12 -1.17856 0.00043 -0.00856 -0.01842 -0.02698 -1.20554 D13 -1.22750 -0.00054 -0.01169 -0.02376 -0.03544 -1.26294 D14 3.03631 -0.00003 -0.01036 -0.02166 -0.03202 3.00429 D15 1.01816 0.00089 -0.00900 -0.01586 -0.02486 0.99330 D16 2.87225 -0.00021 0.02516 -0.03618 -0.01101 2.86123 D17 -1.52377 -0.00034 0.02533 -0.03651 -0.01117 -1.53495 D18 0.58308 -0.00011 0.02481 -0.03390 -0.00909 0.57399 D19 1.67663 0.00027 0.01018 -0.00322 0.00696 1.68358 D20 -1.45628 0.00044 0.00791 0.00059 0.00849 -1.44779 D21 -0.32367 -0.00018 0.01000 -0.00695 0.00306 -0.32061 D22 2.82661 -0.00001 0.00773 -0.00314 0.00460 2.83121 D23 -2.63833 0.00035 0.00606 -0.00572 0.00034 -2.63799 D24 0.51195 0.00052 0.00379 -0.00191 0.00187 0.51383 D25 0.98772 0.00034 0.01351 0.03210 0.04561 1.03332 D26 3.06701 0.00037 0.01282 0.03231 0.04513 3.11214 D27 -1.13938 0.00036 0.01393 0.03194 0.04587 -1.09352 D28 -3.12966 0.00014 -0.00136 0.00113 -0.00023 -3.12989 D29 0.03132 0.00006 -0.00181 0.00036 -0.00144 0.02988 D30 0.00314 -0.00004 0.00094 -0.00274 -0.00180 0.00133 D31 -3.11907 -0.00011 0.00050 -0.00351 -0.00301 -3.12208 D32 3.12545 -0.00012 0.00204 -0.00235 -0.00031 3.12514 D33 -0.02845 -0.00010 -0.00117 0.00249 0.00132 -0.02713 D34 -0.00733 0.00005 -0.00028 0.00149 0.00121 -0.00612 D35 3.12195 0.00007 -0.00349 0.00633 0.00284 3.12479 D36 0.00539 0.00001 -0.00064 -0.00099 -0.00163 0.00376 D37 -3.13216 -0.00003 -0.00002 0.00320 0.00318 -3.12897 D38 3.12753 0.00009 -0.00018 -0.00015 -0.00033 3.12720 D39 -0.01002 0.00005 0.00044 0.00405 0.00448 -0.00554 D40 -0.00968 0.00001 -0.00030 0.00588 0.00558 -0.00410 D41 3.13388 -0.00007 0.00120 0.01245 0.01365 -3.13565 D42 3.12780 0.00005 -0.00093 0.00162 0.00069 3.12850 D43 -0.01182 -0.00002 0.00058 0.00818 0.00876 -0.00305 D44 0.00547 -0.00000 0.00097 -0.00712 -0.00615 -0.00068 D45 -3.09482 -0.00020 0.00649 -0.01276 -0.00629 -3.10111 D46 -3.13793 0.00007 -0.00041 -0.01315 -0.01355 3.13170 D47 0.04496 -0.00013 0.00510 -0.01879 -0.01369 0.03127 D48 0.00944 0.00024 0.00465 0.00389 0.00854 0.01798 D49 -3.13025 0.00017 0.00610 0.01022 0.01632 -3.11393 D50 0.00296 -0.00003 -0.00067 0.00344 0.00277 0.00573 D51 -3.12650 -0.00004 0.00249 -0.00135 0.00114 -3.12536 D52 3.10353 0.00007 -0.00625 0.00912 0.00286 3.10639 D53 -0.02594 0.00006 -0.00309 0.00433 0.00123 -0.02470 D54 -1.51874 0.00080 -0.02714 0.07514 0.04801 -1.47074 D55 1.66412 0.00065 -0.02159 0.06954 0.04795 1.71207 D56 3.14013 -0.00004 -0.00263 -0.00544 -0.00807 3.13206 D57 1.06926 -0.00004 -0.00258 -0.00592 -0.00850 1.06075 D58 -1.07037 -0.00002 -0.00319 -0.00487 -0.00806 -1.07843 D59 -2.96454 -0.00056 -0.03755 -0.06123 -0.09878 -3.06332 D60 1.24353 -0.00085 -0.03714 -0.06426 -0.10140 1.14213 D61 -0.88863 -0.00032 -0.03724 -0.06217 -0.09940 -0.98804 Item Value Threshold Converged? Maximum Force 0.004947 0.000450 NO RMS Force 0.000759 0.000300 NO Maximum Displacement 0.172076 0.001800 NO RMS Displacement 0.052652 0.001200 NO Predicted change in Energy=-3.249939D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.656206 -0.531738 -1.192604 2 1 0 -0.119752 -0.354673 -1.919451 3 1 0 0.720624 0.284489 -0.492467 4 1 0 0.479301 -1.462217 -0.676608 5 8 0 1.874901 -0.615685 -1.942714 6 15 0 3.260810 -1.108263 -1.427788 7 16 0 4.038180 0.556927 -0.331554 8 8 0 4.208763 -1.539001 -2.431850 9 8 0 2.907926 -2.106025 -0.274695 10 6 0 3.846908 -3.048184 0.264986 11 1 0 4.703158 -2.528078 0.661938 12 1 0 3.323009 -3.563344 1.053073 13 1 0 4.142935 -3.739458 -0.508412 14 8 0 2.924699 1.199774 0.321385 15 6 0 4.685625 1.661699 -1.537816 16 8 0 5.126786 0.016557 0.443750 17 6 0 3.917777 2.717877 -1.981911 18 6 0 4.427491 3.576939 -2.942479 19 6 0 5.699245 3.373038 -3.456681 20 6 0 6.473936 2.293778 -2.997045 21 6 0 5.966249 1.450025 -2.041978 22 1 0 3.829527 4.402170 -3.274114 23 8 0 6.275194 4.152929 -4.379936 24 8 0 7.734596 2.110856 -3.456454 25 1 0 6.570112 0.638135 -1.686317 26 1 0 2.939435 2.883958 -1.575208 27 6 0 5.594816 5.275016 -4.876496 28 6 0 7.856906 1.412228 -4.674933 29 1 0 6.261948 5.735830 -5.588515 30 1 0 5.372437 5.981571 -4.085046 31 1 0 4.676950 4.988716 -5.377756 32 1 0 8.915755 1.288093 -4.848098 33 1 0 7.420717 1.973011 -5.491924 34 1 0 7.383829 0.438050 -4.610281 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077855 0.000000 3 H 1.077297 1.775118 0.000000 4 H 1.078581 1.769231 1.772886 0.000000 5 O 1.433502 2.011792 2.060554 2.065754 0.000000 6 P 2.677994 3.498261 3.044195 2.902817 1.558373 7 S 3.655727 4.543218 3.332610 4.106290 2.941196 8 O 3.894993 4.516772 4.387874 4.122579 2.557085 9 O 2.896752 3.865137 3.247502 2.544453 2.463847 10 C 4.317134 5.268886 4.631857 3.839618 3.831424 11 H 4.878782 5.886231 5.010365 4.557272 4.294241 12 H 4.620123 5.566334 4.895602 3.936141 4.445273 13 H 4.786947 5.623015 5.282482 4.316981 4.118150 14 O 3.230535 4.087338 2.521517 3.749954 3.086116 15 C 4.600712 5.225231 4.325585 5.309772 3.640136 16 O 4.792114 5.766167 4.512488 5.004107 4.082854 17 C 4.671279 5.074061 4.285044 5.567774 3.909925 18 C 5.845159 6.097670 5.530248 6.790837 5.009326 19 C 6.767981 7.079522 6.566000 7.639130 5.729539 20 C 6.714575 7.186948 6.588683 7.444969 5.543258 21 C 5.731089 6.349123 5.592499 6.360188 4.584337 22 H 6.224636 6.329255 5.861581 7.236165 5.547256 23 O 7.979863 8.201694 7.805798 8.879013 6.931256 24 O 7.887453 8.374484 7.830493 8.551824 6.637881 25 H 6.048689 6.767149 5.980539 6.521424 4.866500 26 H 4.126318 4.468317 3.585064 5.074345 3.676383 27 C 8.466364 8.549491 8.239102 9.444461 7.559444 28 C 8.231385 8.622163 8.348133 8.870067 6.881994 29 H 9.488456 9.554180 9.294788 10.458380 8.536966 30 H 8.545891 8.660366 8.185519 9.537830 7.768277 31 H 8.009825 7.969945 7.851643 9.018624 7.145649 32 H 9.213825 9.639297 9.334822 9.805065 7.851067 33 H 8.397412 8.662526 8.528594 9.119831 7.074907 34 H 7.608016 8.010787 7.834428 8.170514 6.210842 6 7 8 9 10 6 P 0.000000 7 S 2.139834 0.000000 8 O 1.446476 2.972079 0.000000 9 O 1.565145 2.893444 2.582055 0.000000 10 C 2.640509 3.659135 3.111511 1.435482 0.000000 11 H 2.909157 3.308546 3.285456 2.068398 1.077611 12 H 3.490840 4.405144 4.126404 2.014706 1.077469 13 H 2.923454 4.301299 2.923346 2.061062 1.078720 14 O 2.915409 1.442019 4.090233 3.359151 4.347274 15 C 3.116872 1.759197 3.357257 4.353324 5.112391 16 O 2.872236 1.441582 3.395821 3.153546 3.326061 17 C 3.921480 2.721742 4.290470 5.215785 6.188783 18 C 5.060292 4.011105 5.146011 6.459275 7.383575 19 C 5.490395 4.522835 5.234496 6.923628 7.649448 20 C 4.935649 4.006794 4.487833 6.283779 6.788128 21 C 3.773788 2.727751 3.489275 5.012198 5.481568 22 H 5.839284 4.846451 6.012549 7.225127 8.248231 23 O 6.744022 5.858742 6.361073 8.207679 8.906622 24 O 5.873072 5.083619 5.177139 7.155586 7.455128 25 H 3.750764 2.872744 3.297228 4.789019 4.981202 26 H 4.007848 2.858145 4.680555 5.156768 6.276953 27 C 7.621510 6.733496 7.370771 9.103610 9.938092 28 C 6.166111 5.846294 5.200973 7.498840 7.770338 29 H 8.553367 7.707258 8.191659 10.048922 10.828426 30 H 7.860391 6.730209 7.787567 9.273715 10.138368 31 H 7.401409 6.746327 7.176952 8.916614 9.855012 32 H 7.029897 6.687639 5.998874 8.278289 8.404769 33 H 6.581511 6.330582 5.658174 8.013944 8.433655 34 H 5.433105 5.432771 4.328433 6.730775 6.959301 11 12 13 14 15 11 H 0.000000 12 H 1.769060 0.000000 13 H 1.775108 1.772436 0.000000 14 O 4.144366 4.835422 5.154480 0.000000 15 C 4.732172 5.989198 5.525095 2.602088 0.000000 16 O 2.588867 4.054698 3.997777 2.502830 2.612990 17 C 5.926787 7.001330 6.627146 2.931896 1.379248 18 C 7.095002 8.256389 7.715913 4.308376 2.389112 19 C 7.264873 8.608006 7.855061 5.166717 2.763721 20 C 6.306671 7.787019 6.930136 4.980552 2.393101 21 C 4.973115 6.457549 5.710257 3.859940 1.392475 22 H 8.017735 9.079126 8.604268 4.899150 3.355267 23 O 8.516317 9.888066 9.045717 6.484548 4.100074 24 O 6.904381 8.484956 7.471087 6.183627 3.630309 25 H 4.361734 5.974978 5.142176 4.199445 2.149658 26 H 6.116018 6.972998 6.815871 2.536486 2.131782 27 C 9.610285 10.882899 10.121702 7.124260 5.002947 28 C 7.345361 8.838698 7.595613 7.023887 4.467747 29 H 10.478081 11.799267 10.958044 8.163330 5.957475 30 H 9.767084 11.032036 10.430838 6.947924 5.061758 31 H 9.642654 10.785473 10.008830 7.064465 5.080773 32 H 7.916415 9.467791 8.178566 7.913539 5.384381 33 H 8.094131 9.501549 8.259028 7.389630 4.817948 34 H 6.616661 8.035857 6.691808 6.692189 4.268216 16 17 18 19 20 16 O 0.000000 17 C 3.826573 0.000000 18 C 4.963052 1.385817 0.000000 19 C 5.177551 2.403708 1.386844 0.000000 20 C 4.340462 2.782859 2.416075 1.405779 0.000000 21 C 2.989711 2.409833 2.775327 2.402218 1.371793 22 H 5.893980 2.124716 1.071704 2.142029 3.393374 23 O 6.457272 3.656134 2.410820 1.338786 2.325582 24 O 5.137933 4.136527 3.653835 2.394944 1.354171 25 H 2.647024 3.383428 3.847771 3.372283 2.113861 26 H 4.133120 1.072447 2.136344 3.375750 3.855208 27 C 7.495029 4.210706 2.826045 2.375773 3.632213 28 C 5.966772 4.947103 4.410018 3.159813 2.346283 29 H 8.389690 5.254595 3.876538 3.231739 4.313744 30 H 7.493446 4.146193 2.825002 2.702978 3.999608 31 H 7.669070 4.155095 2.825936 2.710356 4.019905 32 H 6.631496 5.936253 5.386531 4.077864 3.224947 33 H 6.657481 5.014540 4.246370 3.010940 2.687696 34 H 5.551138 4.911156 4.623216 3.575300 2.621862 21 22 23 24 25 21 C 0.000000 22 H 3.846934 0.000000 23 O 3.587085 2.695598 0.000000 24 O 2.358917 4.531328 2.674460 0.000000 25 H 1.072526 4.919336 4.438056 2.580371 0.000000 26 H 3.381663 2.446122 4.539171 5.208679 4.270584 27 C 4.775249 2.538845 1.403055 4.075179 5.712189 28 C 3.241676 5.207863 3.178094 1.409870 3.344680 29 H 5.570771 3.612724 1.991586 4.455874 6.427178 30 H 5.006161 2.352167 2.060549 4.577920 5.978347 31 H 5.031106 2.342535 2.061205 4.617648 6.011517 32 H 4.074324 6.168032 3.924159 2.002186 3.990156 33 H 3.780360 4.869922 2.701996 2.064137 4.121659 34 H 3.103193 5.489322 3.883614 2.062192 3.041667 26 27 28 29 30 26 H 0.000000 27 C 4.864844 0.000000 28 C 5.996316 4.480939 0.000000 29 H 5.939605 1.079067 4.698091 0.000000 30 H 4.670545 1.084005 5.234448 1.764097 0.000000 31 H 4.680634 1.084300 4.837080 1.764885 1.772163 32 H 6.998214 5.188930 1.080073 5.231948 5.930100 33 H 6.020995 3.823075 1.082688 3.938386 4.716281 34 H 5.911580 5.164075 1.084898 5.502911 5.920489 31 32 33 34 31 H 0.000000 32 H 5.651780 0.000000 33 H 4.078696 1.766003 0.000000 34 H 5.350212 1.768029 1.770526 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.275380 2.206201 1.210017 2 1 0 3.169965 2.897936 2.029871 3 1 0 3.029624 2.679280 0.273871 4 1 0 4.277599 1.808471 1.183474 5 8 0 2.340514 1.151763 1.472915 6 15 0 2.252587 -0.225470 0.749020 7 16 0 1.257994 0.210584 -1.094762 8 8 0 1.566343 -1.285246 1.454879 9 8 0 3.714972 -0.495054 0.260727 10 6 0 4.177982 -1.786900 -0.160419 11 1 0 3.587599 -2.136485 -0.991372 12 1 0 5.202634 -1.645449 -0.462112 13 1 0 4.118325 -2.474716 0.668429 14 8 0 1.699900 1.514342 -1.524127 15 6 0 -0.453983 0.307940 -0.701789 16 8 0 1.485314 -0.947148 -1.923098 17 6 0 -1.033740 1.536727 -0.464539 18 6 0 -2.379622 1.606425 -0.141689 19 6 0 -3.136934 0.447965 -0.053467 20 6 0 -2.536549 -0.799505 -0.297541 21 6 0 -1.205191 -0.861822 -0.622222 22 1 0 -2.825771 2.565635 0.029822 23 8 0 -4.441655 0.418828 0.245198 24 8 0 -3.275021 -1.934001 -0.260662 25 1 0 -0.759070 -1.816589 -0.821487 26 1 0 -0.451918 2.433985 -0.545507 27 6 0 -5.138089 1.615427 0.472564 28 6 0 -3.469427 -2.508052 1.012289 29 1 0 -6.157773 1.330593 0.681132 30 1 0 -5.116833 2.254665 -0.402643 31 1 0 -4.733434 2.150512 1.324412 32 1 0 -4.001830 -3.433536 0.849244 33 1 0 -4.059367 -1.859129 1.647178 34 1 0 -2.518355 -2.716781 1.490722 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6154868 0.1846647 0.1693894 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.0114381435 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.54D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999974 -0.006753 -0.001136 0.002377 Ang= -0.83 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.62340384 A.U. after 12 cycles NFock= 12 Conv=0.74D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000024133 -0.000394645 -0.000398922 2 1 0.000064011 0.000193076 0.000125140 3 1 -0.000088585 -0.000014602 0.000002739 4 1 -0.000032177 0.000146186 -0.000245558 5 8 0.000368032 -0.000124400 0.000703441 6 15 -0.000690808 -0.000683554 -0.001244890 7 16 0.001279353 0.001431114 -0.002046870 8 8 -0.000098031 0.000152578 -0.000014635 9 8 0.000060558 0.000505181 0.001059689 10 6 0.000216218 -0.000428453 -0.000167104 11 1 -0.000127406 0.000107035 0.000094238 12 1 -0.000149307 -0.000165596 -0.000111296 13 1 0.000168354 -0.000057737 -0.000100128 14 8 -0.000514651 0.000254908 0.000661939 15 6 -0.001069746 -0.000865723 0.002133140 16 8 -0.000141404 0.000480636 0.000272690 17 6 -0.000557029 -0.000376220 0.000380861 18 6 0.000135977 0.000393810 -0.000249166 19 6 0.001846658 0.001757118 -0.001020015 20 6 -0.000373252 -0.000529403 -0.000024394 21 6 0.000834408 -0.000763870 -0.000857626 22 1 -0.000059345 -0.000041139 0.000010726 23 8 -0.000936701 -0.001461076 0.000662108 24 8 -0.000026854 0.000525062 0.000515502 25 1 0.000074893 0.000077962 -0.000066501 26 1 -0.000117880 -0.000166200 0.000043446 27 6 0.000205136 -0.000077865 -0.000089705 28 6 -0.000000022 -0.000243131 -0.000071413 29 1 -0.000067030 -0.000087329 0.000096987 30 1 0.000010149 -0.000069760 0.000040307 31 1 0.000008545 0.000096936 -0.000033629 32 1 -0.000083026 -0.000026956 -0.000329721 33 1 -0.000226322 0.000291837 0.000063647 34 1 0.000111419 0.000164218 0.000204973 ------------------------------------------------------------------- Cartesian Forces: Max 0.002133140 RMS 0.000595651 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001953518 RMS 0.000393219 Search for a local minimum. Step number 17 out of a maximum of 163 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 16 17 DE= -3.70D-04 DEPred=-3.25D-04 R= 1.14D+00 TightC=F SS= 1.41D+00 RLast= 2.39D-01 DXNew= 5.0454D+00 7.1662D-01 Trust test= 1.14D+00 RLast= 2.39D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 Eigenvalues --- 0.00323 0.00542 0.00791 0.00840 0.01436 Eigenvalues --- 0.01681 0.01786 0.01943 0.02026 0.02148 Eigenvalues --- 0.02507 0.02663 0.02704 0.02752 0.02777 Eigenvalues --- 0.02872 0.03503 0.04529 0.05014 0.09849 Eigenvalues --- 0.09947 0.10036 0.10210 0.10447 0.10515 Eigenvalues --- 0.10535 0.10588 0.10860 0.10942 0.11245 Eigenvalues --- 0.12010 0.13560 0.15643 0.15846 0.15964 Eigenvalues --- 0.15993 0.15996 0.16000 0.16002 0.16010 Eigenvalues --- 0.16012 0.16052 0.16113 0.16149 0.16216 Eigenvalues --- 0.16363 0.16719 0.18536 0.19520 0.20402 Eigenvalues --- 0.21943 0.22663 0.23094 0.24055 0.24559 Eigenvalues --- 0.24950 0.25206 0.25509 0.25789 0.27170 Eigenvalues --- 0.29452 0.32312 0.33394 0.33459 0.33488 Eigenvalues --- 0.33590 0.33763 0.34090 0.34535 0.34799 Eigenvalues --- 0.34840 0.34863 0.34895 0.34969 0.35275 Eigenvalues --- 0.37012 0.38624 0.38937 0.39164 0.39707 Eigenvalues --- 0.40045 0.42919 0.45100 0.45450 0.47645 Eigenvalues --- 0.48061 0.49421 0.52809 0.54647 0.59386 Eigenvalues --- 0.62342 0.71082 0.72985 0.77411 0.87435 Eigenvalues --- 1.27071 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 17 16 RFO step: Lambda=-1.89188329D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.57449 -0.57449 Iteration 1 RMS(Cart)= 0.03354016 RMS(Int)= 0.00062150 Iteration 2 RMS(Cart)= 0.00069185 RMS(Int)= 0.00000469 Iteration 3 RMS(Cart)= 0.00000037 RMS(Int)= 0.00000468 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03685 -0.00010 0.00035 -0.00041 -0.00006 2.03679 R2 2.03580 -0.00001 0.00019 0.00001 0.00020 2.03600 R3 2.03822 -0.00024 0.00027 -0.00075 -0.00048 2.03774 R4 2.70893 -0.00021 -0.00050 -0.00010 -0.00060 2.70833 R5 2.94490 -0.00038 0.00246 -0.00175 0.00070 2.94560 R6 4.04370 0.00087 -0.00598 0.00385 -0.00213 4.04157 R7 2.73344 -0.00010 -0.00045 0.00026 -0.00019 2.73325 R8 2.95769 0.00056 0.00069 0.00048 0.00117 2.95886 R9 2.72502 0.00081 -0.00355 0.00323 -0.00032 2.72471 R10 3.32440 -0.00195 0.00093 -0.00320 -0.00228 3.32212 R11 2.72420 -0.00014 -0.00130 0.00105 -0.00025 2.72394 R12 2.71267 0.00032 -0.00158 0.00094 -0.00064 2.71203 R13 2.03639 -0.00001 0.00015 -0.00001 0.00014 2.03653 R14 2.03612 0.00007 0.00015 0.00018 0.00034 2.03646 R15 2.03849 0.00015 -0.00008 0.00038 0.00030 2.03878 R16 2.60640 0.00011 -0.00122 0.00065 -0.00058 2.60582 R17 2.63140 0.00121 -0.00173 0.00317 0.00144 2.63283 R18 2.61881 0.00084 -0.00180 0.00225 0.00044 2.61926 R19 2.02663 0.00010 0.00026 -0.00002 0.00024 2.02687 R20 2.62076 0.00044 -0.00089 0.00119 0.00031 2.62107 R21 2.02523 -0.00000 0.00008 -0.00007 0.00001 2.02524 R22 2.65654 -0.00034 -0.00073 0.00115 0.00041 2.65695 R23 2.52994 -0.00173 -0.00332 -0.00096 -0.00428 2.52566 R24 2.59231 -0.00005 -0.00037 -0.00066 -0.00103 2.59128 R25 2.55901 -0.00044 0.00002 0.00034 0.00036 2.55937 R26 2.02678 -0.00004 0.00050 -0.00041 0.00009 2.02687 R27 2.65139 -0.00019 0.00084 -0.00051 0.00033 2.65172 R28 2.66427 0.00001 -0.00258 0.00155 -0.00103 2.66324 R29 2.03914 -0.00014 0.00027 -0.00052 -0.00025 2.03889 R30 2.04847 -0.00002 -0.00011 0.00003 -0.00008 2.04839 R31 2.04903 -0.00002 -0.00008 0.00004 -0.00004 2.04899 R32 2.04104 -0.00003 0.00025 -0.00018 0.00008 2.04112 R33 2.04598 0.00019 0.00011 0.00036 0.00047 2.04645 R34 2.05016 -0.00018 0.00139 -0.00101 0.00038 2.05054 A1 1.93568 -0.00017 -0.00108 -0.00076 -0.00184 1.93384 A2 1.92437 -0.00000 -0.00086 0.00059 -0.00028 1.92409 A3 1.84293 0.00002 0.00029 -0.00054 -0.00025 1.84268 A4 1.93106 0.00004 0.00001 0.00124 0.00125 1.93230 A5 1.91092 0.00012 0.00098 0.00056 0.00154 1.91247 A6 1.91692 -0.00000 0.00070 -0.00118 -0.00048 1.91644 A7 2.21639 0.00123 -0.00867 0.00774 -0.00092 2.21547 A8 1.81974 0.00003 0.00038 0.00089 0.00127 1.82102 A9 2.03486 -0.00016 0.00091 -0.00104 -0.00012 2.03474 A10 1.81772 0.00021 -0.00291 0.00342 0.00051 1.81823 A11 1.92758 -0.00020 0.00013 -0.00316 -0.00304 1.92454 A12 1.77273 0.00017 0.00109 -0.00014 0.00095 1.77368 A13 2.05932 0.00001 0.00041 0.00032 0.00073 2.06005 A14 1.87377 0.00017 0.00216 0.00081 0.00297 1.87675 A15 1.84536 -0.00024 0.00310 -0.00212 0.00099 1.84634 A16 1.83191 0.00038 -0.00324 0.00077 -0.00247 1.82944 A17 1.89094 0.00026 -0.00388 0.00428 0.00039 1.89133 A18 2.10213 -0.00037 0.00563 -0.00507 0.00056 2.10269 A19 1.90314 -0.00019 -0.00359 0.00130 -0.00229 1.90085 A20 2.15066 -0.00014 -0.00070 -0.00055 -0.00125 2.14941 A21 1.91927 -0.00017 0.00059 -0.00265 -0.00207 1.91721 A22 1.84496 -0.00008 0.00175 -0.00186 -0.00011 1.84485 A23 1.90769 0.00013 0.00080 0.00062 0.00142 1.90911 A24 1.92590 0.00011 -0.00134 0.00170 0.00036 1.92625 A25 1.93408 0.00005 -0.00084 0.00140 0.00056 1.93463 A26 1.92991 -0.00005 -0.00081 0.00061 -0.00020 1.92970 A27 2.09069 -0.00027 0.00289 -0.00303 -0.00015 2.09055 A28 2.08434 0.00028 -0.00212 0.00218 0.00006 2.08440 A29 2.10810 -0.00001 -0.00078 0.00084 0.00005 2.10816 A30 2.08646 -0.00011 0.00032 -0.00000 0.00032 2.08677 A31 2.09942 -0.00009 0.00219 -0.00222 -0.00003 2.09939 A32 2.09716 0.00020 -0.00250 0.00222 -0.00027 2.09689 A33 2.09803 0.00000 0.00046 -0.00056 -0.00010 2.09793 A34 2.07899 -0.00006 -0.00016 -0.00031 -0.00048 2.07851 A35 2.10613 0.00006 -0.00032 0.00093 0.00060 2.10673 A36 2.09092 -0.00009 -0.00021 -0.00045 -0.00068 2.09025 A37 2.17068 0.00058 0.00086 0.00118 0.00201 2.17269 A38 2.02154 -0.00049 -0.00067 -0.00060 -0.00129 2.02025 A39 2.08967 0.00053 -0.00096 0.00216 0.00120 2.09086 A40 2.10111 -0.00130 -0.00014 -0.00450 -0.00464 2.09647 A41 2.09168 0.00077 0.00110 0.00229 0.00339 2.09507 A42 2.09317 -0.00032 0.00119 -0.00197 -0.00079 2.09238 A43 2.10925 0.00028 0.00010 0.00117 0.00127 2.11052 A44 2.08071 0.00004 -0.00128 0.00075 -0.00052 2.08019 A45 2.09593 0.00031 -0.00071 0.00170 0.00099 2.09692 A46 2.02740 -0.00160 -0.00175 -0.00671 -0.00846 2.01894 A47 1.84965 -0.00006 0.00022 -0.00064 -0.00042 1.84923 A48 1.94159 -0.00013 -0.00014 -0.00069 -0.00083 1.94076 A49 1.94221 0.00018 -0.00039 0.00142 0.00102 1.94324 A50 1.90736 0.00005 0.00016 0.00011 0.00027 1.90763 A51 1.90823 -0.00003 0.00007 -0.00024 -0.00017 1.90807 A52 1.91343 -0.00001 0.00010 0.00001 0.00011 1.91354 A53 1.85518 0.00063 0.00016 0.00358 0.00374 1.85892 A54 1.93965 -0.00053 0.00337 -0.00425 -0.00088 1.93877 A55 1.93438 -0.00029 0.00035 -0.00267 -0.00232 1.93205 A56 1.91082 -0.00001 -0.00036 -0.00014 -0.00051 1.91031 A57 1.91117 0.00001 -0.00054 0.00085 0.00032 1.91149 A58 1.91175 0.00021 -0.00291 0.00268 -0.00023 1.91152 D1 -2.93675 -0.00027 -0.01814 -0.01536 -0.03349 -2.97024 D2 1.26156 -0.00014 -0.01754 -0.01445 -0.03198 1.22957 D3 -0.86212 -0.00027 -0.01863 -0.01558 -0.03421 -0.89633 D4 -1.37179 -0.00053 -0.00701 -0.00434 -0.01134 -1.38314 D5 2.78172 -0.00019 -0.00801 -0.00034 -0.00835 2.77337 D6 0.48019 -0.00027 -0.00667 -0.00304 -0.00971 0.47048 D7 0.62249 0.00028 -0.02301 0.00751 -0.01549 0.60700 D8 -1.39346 0.00002 -0.02105 0.00325 -0.01779 -1.41125 D9 2.87874 0.00017 -0.01693 0.00236 -0.01457 2.86417 D10 2.82141 -0.00001 -0.02158 0.00498 -0.01660 2.80481 D11 0.80545 -0.00028 -0.01961 0.00072 -0.01890 0.78655 D12 -1.20554 -0.00012 -0.01550 -0.00018 -0.01568 -1.22121 D13 -1.26294 -0.00001 -0.02036 0.00362 -0.01674 -1.27968 D14 3.00429 -0.00027 -0.01840 -0.00064 -0.01904 2.98525 D15 0.99330 -0.00012 -0.01428 -0.00153 -0.01582 0.97749 D16 2.86123 -0.00020 -0.00633 0.01973 0.01341 2.87464 D17 -1.53495 -0.00005 -0.00642 0.02166 0.01524 -1.51970 D18 0.57399 -0.00018 -0.00522 0.01775 0.01252 0.58652 D19 1.68358 0.00010 0.00400 0.00798 0.01198 1.69556 D20 -1.44779 0.00023 0.00488 0.01016 0.01504 -1.43275 D21 -0.32061 -0.00010 0.00176 0.00611 0.00788 -0.31273 D22 2.83121 0.00003 0.00264 0.00829 0.01094 2.84214 D23 -2.63799 0.00033 0.00019 0.00842 0.00861 -2.62938 D24 0.51383 0.00046 0.00108 0.01059 0.01167 0.52549 D25 1.03332 0.00034 0.02620 0.01567 0.04187 1.07520 D26 3.11214 0.00033 0.02593 0.01523 0.04116 -3.12989 D27 -1.09352 0.00030 0.02635 0.01523 0.04159 -1.05193 D28 -3.12989 -0.00000 -0.00013 -0.00194 -0.00208 -3.13197 D29 0.02988 -0.00002 -0.00083 -0.00188 -0.00270 0.02718 D30 0.00133 -0.00013 -0.00104 -0.00414 -0.00518 -0.00384 D31 -3.12208 -0.00015 -0.00173 -0.00407 -0.00580 -3.12788 D32 3.12514 -0.00000 -0.00018 0.00230 0.00212 3.12726 D33 -0.02713 -0.00007 0.00076 -0.00264 -0.00189 -0.02902 D34 -0.00612 0.00013 0.00069 0.00452 0.00521 -0.00091 D35 3.12479 0.00006 0.00163 -0.00042 0.00121 3.12599 D36 0.00376 0.00007 -0.00094 0.00335 0.00241 0.00617 D37 -3.12897 -0.00008 0.00183 -0.00385 -0.00202 -3.13099 D38 3.12720 0.00009 -0.00019 0.00323 0.00304 3.13024 D39 -0.00554 -0.00007 0.00258 -0.00396 -0.00139 -0.00693 D40 -0.00410 -0.00001 0.00321 -0.00290 0.00030 -0.00380 D41 -3.13565 -0.00038 0.00784 -0.02024 -0.01240 3.13513 D42 3.12850 0.00015 0.00040 0.00440 0.00480 3.13330 D43 -0.00305 -0.00023 0.00503 -0.01294 -0.00791 -0.01096 D44 -0.00068 0.00000 -0.00353 0.00324 -0.00029 -0.00097 D45 -3.10111 -0.00009 -0.00362 0.00456 0.00094 -3.10017 D46 3.13170 0.00035 -0.00778 0.01915 0.01136 -3.14013 D47 0.03127 0.00025 -0.00787 0.02046 0.01259 0.04386 D48 0.01798 0.00027 0.00490 0.01039 0.01530 0.03328 D49 -3.11393 -0.00009 0.00937 -0.00632 0.00305 -3.11089 D50 0.00573 -0.00006 0.00159 -0.00401 -0.00242 0.00331 D51 -3.12536 -0.00000 0.00066 0.00085 0.00150 -3.12386 D52 3.10639 -0.00002 0.00164 -0.00548 -0.00384 3.10254 D53 -0.02470 0.00005 0.00071 -0.00063 0.00008 -0.02462 D54 -1.47074 0.00033 0.02758 -0.02339 0.00419 -1.46655 D55 1.71207 0.00024 0.02755 -0.02207 0.00548 1.71754 D56 3.13206 -0.00006 -0.00464 -0.00387 -0.00850 3.12356 D57 1.06075 -0.00001 -0.00488 -0.00325 -0.00813 1.05262 D58 -1.07843 -0.00003 -0.00463 -0.00378 -0.00840 -1.08683 D59 -3.06332 -0.00025 -0.05675 -0.00481 -0.06156 -3.12488 D60 1.14213 -0.00033 -0.05825 -0.00447 -0.06273 1.07940 D61 -0.98804 -0.00003 -0.05711 -0.00310 -0.06021 -1.04825 Item Value Threshold Converged? Maximum Force 0.001954 0.000450 NO RMS Force 0.000393 0.000300 NO Maximum Displacement 0.137873 0.001800 NO RMS Displacement 0.033533 0.001200 NO Predicted change in Energy=-9.692044D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.639341 -0.563281 -1.184930 2 1 0 -0.135839 -0.354127 -1.903995 3 1 0 0.704854 0.224529 -0.452903 4 1 0 0.459085 -1.513307 -0.707705 5 8 0 1.857329 -0.621534 -1.938012 6 15 0 3.250663 -1.101401 -1.430040 7 16 0 4.018555 0.567392 -0.334802 8 8 0 4.199343 -1.517638 -2.439374 9 8 0 2.913429 -2.106682 -0.277957 10 6 0 3.870332 -3.028568 0.264360 11 1 0 4.693259 -2.486981 0.701257 12 1 0 3.342800 -3.584464 1.021995 13 1 0 4.215894 -3.687104 -0.517238 14 8 0 2.902772 1.214464 0.309607 15 6 0 4.677122 1.667005 -1.537996 16 8 0 5.102181 0.027716 0.447679 17 6 0 3.919127 2.729825 -1.982226 18 6 0 4.438390 3.587358 -2.939379 19 6 0 5.709229 3.373277 -3.452145 20 6 0 6.472375 2.284814 -2.994227 21 6 0 5.956067 1.442748 -2.043084 22 1 0 3.846570 4.416605 -3.272033 23 8 0 6.289838 4.139992 -4.380222 24 8 0 7.732187 2.096623 -3.454397 25 1 0 6.553054 0.625115 -1.688835 26 1 0 2.940412 2.902265 -1.578743 27 6 0 5.625388 5.272551 -4.875071 28 6 0 7.838352 1.407635 -4.679231 29 1 0 6.298985 5.724238 -5.586654 30 1 0 5.414317 5.980803 -4.082101 31 1 0 4.703028 5.001240 -5.376378 32 1 0 8.893531 1.326280 -4.895154 33 1 0 7.348053 1.952456 -5.476431 34 1 0 7.406977 0.415153 -4.599635 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077823 0.000000 3 H 1.077404 1.774057 0.000000 4 H 1.078325 1.768824 1.773528 0.000000 5 O 1.433186 2.011313 2.061449 2.064946 0.000000 6 P 2.677435 3.500206 3.032166 2.912790 1.558745 7 S 3.663363 4.535477 3.333485 4.139831 2.941892 8 O 3.893333 4.520419 4.380944 4.121677 2.557224 9 O 2.894161 3.874723 3.216047 2.561364 2.465116 10 C 4.314787 5.282404 4.595362 3.857141 3.833593 11 H 4.867502 5.886985 4.959007 4.567434 4.299783 12 H 4.615925 5.576506 4.862357 3.949351 4.443785 13 H 4.795396 5.654150 5.256655 4.344570 4.120576 14 O 3.243013 4.073532 2.528287 3.800956 3.084741 15 C 4.626284 5.232927 4.363150 5.347486 3.653581 16 O 4.788698 5.754392 4.492913 5.026729 4.079474 17 C 4.715636 5.095060 4.352802 5.621429 3.935044 18 C 5.893952 6.126246 5.606289 6.843393 5.037795 19 C 6.807387 7.103177 6.629769 7.679496 5.752238 20 C 6.738656 7.198688 6.630792 7.470848 5.555277 21 C 5.747013 6.352907 5.620318 6.382657 4.590419 22 H 6.280253 6.363253 5.949065 7.294840 5.578488 23 O 8.016158 8.223024 7.870624 8.913184 6.948644 24 O 7.907846 8.385448 7.867471 8.571693 6.648440 25 H 6.052950 6.763615 5.990779 6.532375 4.864776 26 H 4.178520 4.491458 3.665448 5.139355 3.703957 27 C 8.516733 8.583620 8.321644 9.492392 7.587148 28 C 8.241385 8.625165 8.375464 8.874599 6.885089 29 H 9.536228 9.587255 9.375313 10.501934 8.562109 30 H 8.603431 8.699408 8.275554 9.597007 7.800008 31 H 8.065090 8.009496 7.939960 9.069006 7.178854 32 H 9.244883 9.659209 9.380932 9.835541 7.876979 33 H 8.351811 8.607628 8.506096 9.066981 7.020961 34 H 7.643196 8.046884 7.883539 8.193856 6.241598 6 7 8 9 10 6 P 0.000000 7 S 2.138709 0.000000 8 O 1.446375 2.968040 0.000000 9 O 1.565763 2.893995 2.583074 0.000000 10 C 2.639877 3.648547 3.114696 1.435146 0.000000 11 H 2.922899 3.295123 3.323723 2.066708 1.077685 12 H 3.490927 4.419893 4.121469 2.014466 1.077647 13 H 2.907016 4.262976 2.898527 2.061893 1.078878 14 O 2.917298 1.441852 4.086854 3.372737 4.352188 15 C 3.116169 1.757991 3.344055 4.351899 5.093898 16 O 2.868597 1.441448 3.396808 3.142107 3.300292 17 C 3.928110 2.720296 4.281174 5.225683 6.181312 18 C 5.066879 4.010023 5.134992 6.467672 7.372728 19 C 5.491466 4.522078 5.217903 6.922566 7.627422 20 C 4.928748 4.005410 4.464659 6.271321 6.754335 21 C 3.764004 2.727348 3.465114 4.997177 5.446765 22 H 5.847771 4.844930 6.002750 7.237991 8.242405 23 O 6.738869 5.855563 6.336074 8.200589 8.877747 24 O 5.865955 5.085418 5.155011 7.139886 7.416916 25 H 3.735453 2.874095 3.270268 4.764468 4.935723 26 H 4.018421 2.856819 4.675590 5.175165 6.279854 27 C 7.624619 6.733088 7.353428 9.107210 9.919806 28 C 6.156249 5.845590 5.178472 7.481746 7.737194 29 H 8.553306 7.705541 8.170596 10.048262 10.804828 30 H 7.865903 6.730187 7.771829 9.280806 10.121480 31 H 7.411151 6.748703 7.167668 8.928556 9.848305 32 H 7.052844 6.718490 6.012831 8.298516 8.415332 33 H 6.518277 6.280152 5.583874 7.947744 8.358339 34 H 5.442537 5.449163 4.323347 6.725216 6.930044 11 12 13 14 15 11 H 0.000000 12 H 1.769487 0.000000 13 H 1.775641 1.772588 0.000000 14 O 4.130367 4.871431 5.141336 0.000000 15 C 4.719121 5.992654 5.470023 2.601297 0.000000 16 O 2.560316 4.058707 3.939093 2.502966 2.609760 17 C 5.917383 7.016249 6.588721 2.929470 1.378943 18 C 7.086380 8.266066 7.670337 4.306351 2.389273 19 C 7.254347 8.603957 7.790552 5.165989 2.764159 20 C 6.292208 7.769988 6.847699 4.980264 2.392746 21 C 4.956698 6.441796 5.627769 3.861331 1.393235 22 H 8.010207 9.094480 8.567111 4.896182 3.355146 23 O 8.502191 9.876042 8.971472 6.482702 4.098142 24 O 6.893037 8.460470 7.378530 6.186208 3.631884 25 H 4.342408 5.947679 5.042834 4.203054 2.151141 26 H 6.108588 7.000244 6.795104 2.532973 2.131594 27 C 9.600762 10.882661 10.062445 7.124717 5.003523 28 C 7.349101 8.811074 7.510044 7.020383 4.464080 29 H 10.466149 11.792591 10.890895 8.163223 5.956779 30 H 9.752117 11.037994 10.373663 6.950750 5.062092 31 H 9.644230 10.793688 9.966737 7.064772 5.084385 32 H 7.968880 9.483600 8.135137 7.936702 5.400436 33 H 8.057317 9.430222 8.136870 7.333716 4.767246 34 H 6.624658 8.007321 6.608894 6.710247 4.288692 16 17 18 19 20 16 O 0.000000 17 C 3.821708 0.000000 18 C 4.958209 1.386052 0.000000 19 C 5.173965 2.403988 1.387008 0.000000 20 C 4.338046 2.782311 2.415932 1.405998 0.000000 21 C 2.989203 2.410269 2.775976 2.402774 1.371249 22 H 5.888562 2.124640 1.071708 2.142539 3.393606 23 O 6.452129 3.655028 2.410247 1.336520 2.322926 24 O 5.140380 4.136140 3.651936 2.392114 1.354362 25 H 2.650775 3.384295 3.848448 3.372491 2.113093 26 H 4.128277 1.072575 2.136497 3.376068 3.854816 27 C 7.490909 4.212521 2.827674 2.374656 3.630638 28 C 5.972940 4.937849 4.397502 3.146849 2.339781 29 H 8.384263 5.255676 3.877645 3.229699 4.310496 30 H 7.487027 4.148966 2.826096 2.698705 3.995408 31 H 7.669087 4.158617 2.829851 2.713922 4.022959 32 H 6.678807 5.932941 5.365241 4.051204 3.224021 33 H 6.621454 4.956946 4.192336 2.966853 2.653038 34 H 5.562155 4.936966 4.651005 3.598553 2.635612 21 22 23 24 25 21 C 0.000000 22 H 3.847612 0.000000 23 O 3.584514 2.697064 0.000000 24 O 2.360923 4.529193 2.666998 0.000000 25 H 1.072572 4.920058 4.434773 2.583196 0.000000 26 H 3.382304 2.445726 4.538602 5.208478 4.271852 27 C 4.774609 2.542945 1.403232 4.067362 5.710633 28 C 3.239368 5.193114 3.154850 1.409324 3.347656 29 H 5.568270 3.616865 1.991330 4.445242 6.423286 30 H 5.004500 2.358125 2.060097 4.566551 5.975603 31 H 5.034264 2.345972 2.062047 4.615908 6.014236 32 H 4.095921 6.136485 3.867990 2.004477 4.031123 33 H 3.739693 4.815785 2.665860 2.063241 4.091423 34 H 3.114008 5.518210 3.894941 2.060260 3.040727 26 27 28 29 30 26 H 0.000000 27 C 4.867559 0.000000 28 C 5.986382 4.457930 0.000000 29 H 5.941960 1.078936 4.671844 0.000000 30 H 4.675938 1.083962 5.210218 1.764127 0.000000 31 H 4.683432 1.084281 4.819778 1.764659 1.772182 32 H 6.994422 5.123887 1.080113 5.152851 5.867757 33 H 5.959984 3.788435 1.082936 3.916508 4.680926 34 H 5.938158 5.181143 1.085100 5.512553 5.934222 31 32 33 34 31 H 0.000000 32 H 5.594391 0.000000 33 H 4.037481 1.765922 0.000000 34 H 5.380229 1.768425 1.770747 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.317682 2.177754 1.230020 2 1 0 3.196479 2.884356 2.034835 3 1 0 3.108335 2.640484 0.279833 4 1 0 4.314074 1.765640 1.242248 5 8 0 2.360333 1.141068 1.480589 6 15 0 2.250965 -0.230115 0.747389 7 16 0 1.258208 0.229695 -1.090296 8 8 0 1.548471 -1.283619 1.446412 9 8 0 3.708873 -0.518896 0.254719 10 6 0 4.145285 -1.811592 -0.190392 11 1 0 3.575242 -2.112925 -1.053905 12 1 0 5.184903 -1.695283 -0.449215 13 1 0 4.031924 -2.523720 0.612105 14 8 0 1.698126 1.538383 -1.505922 15 6 0 -0.453569 0.318839 -0.699904 16 8 0 1.486593 -0.919269 -1.930232 17 6 0 -1.038586 1.544439 -0.460857 18 6 0 -2.385980 1.608549 -0.142173 19 6 0 -3.138908 0.446800 -0.057132 20 6 0 -2.531638 -0.797819 -0.299983 21 6 0 -1.199579 -0.855150 -0.620384 22 1 0 -2.835117 2.565798 0.032495 23 8 0 -4.439111 0.408466 0.249934 24 8 0 -3.270258 -1.932541 -0.266157 25 1 0 -0.750143 -1.808384 -0.819785 26 1 0 -0.459635 2.444159 -0.536596 27 6 0 -5.145717 1.599942 0.473878 28 6 0 -3.467466 -2.494953 1.010947 29 1 0 -6.162886 1.306749 0.682465 30 1 0 -5.129054 2.236322 -0.403457 31 1 0 -4.746774 2.141358 1.324395 32 1 0 -4.052928 -3.390776 0.864731 33 1 0 -4.006179 -1.813597 1.657703 34 1 0 -2.517403 -2.753167 1.467178 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6167934 0.1846575 0.1694796 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.6510849452 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.54D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999993 -0.003551 -0.000284 0.000924 Ang= -0.42 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.62351633 A.U. after 12 cycles NFock= 12 Conv=0.46D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000118183 -0.000059614 -0.000437044 2 1 0.000050390 0.000149287 0.000093063 3 1 0.000005754 -0.000043789 0.000037348 4 1 -0.000012828 -0.000032653 -0.000093619 5 8 0.000759732 -0.000434791 0.000808628 6 15 -0.001242363 -0.000840411 -0.001158756 7 16 0.001463421 0.001799975 -0.001832190 8 8 -0.000011231 -0.000171277 -0.000152107 9 8 -0.000132878 0.001145077 0.000355610 10 6 0.000408333 -0.000767143 0.000240574 11 1 -0.000179255 -0.000058810 -0.000016079 12 1 -0.000104171 -0.000172744 -0.000224186 13 1 0.000109923 0.000008460 -0.000040981 14 8 -0.000670108 0.000136839 0.000745067 15 6 -0.000971194 -0.001011989 0.001293135 16 8 0.000067661 0.000253880 0.000740910 17 6 -0.000454690 -0.000047344 0.000549179 18 6 0.000268282 0.000413559 -0.000529076 19 6 0.000073095 -0.000213329 -0.000486803 20 6 -0.000052621 0.000250779 0.000592721 21 6 0.001023817 -0.000303284 -0.000280285 22 1 -0.000002670 0.000058627 -0.000009902 23 8 -0.000264007 0.000345443 -0.000129778 24 8 -0.000377782 0.000180502 0.000377518 25 1 -0.000101361 0.000042527 -0.000060164 26 1 0.000012054 -0.000146127 0.000097480 27 6 0.000287035 0.000021069 0.000066552 28 6 0.000003712 -0.000643247 -0.000690620 29 1 -0.000045149 -0.000017012 0.000035576 30 1 -0.000029403 -0.000026620 0.000000471 31 1 0.000020715 -0.000070192 0.000049778 32 1 -0.000034767 0.000008656 -0.000005089 33 1 0.000115379 0.000014513 0.000084927 34 1 0.000135358 0.000231183 -0.000021860 ------------------------------------------------------------------- Cartesian Forces: Max 0.001832190 RMS 0.000508407 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001465997 RMS 0.000293876 Search for a local minimum. Step number 18 out of a maximum of 163 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 16 17 18 DE= -1.12D-04 DEPred=-9.69D-05 R= 1.16D+00 TightC=F SS= 1.41D+00 RLast= 1.59D-01 DXNew= 5.0454D+00 4.7823D-01 Trust test= 1.16D+00 RLast= 1.59D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 Eigenvalues --- 0.00274 0.00575 0.00679 0.00839 0.01357 Eigenvalues --- 0.01668 0.01817 0.01940 0.02042 0.02229 Eigenvalues --- 0.02510 0.02690 0.02744 0.02760 0.02838 Eigenvalues --- 0.02972 0.03496 0.04466 0.05013 0.09848 Eigenvalues --- 0.10024 0.10125 0.10221 0.10451 0.10506 Eigenvalues --- 0.10538 0.10573 0.10891 0.10988 0.11237 Eigenvalues --- 0.12120 0.13631 0.15760 0.15862 0.15961 Eigenvalues --- 0.15993 0.15996 0.16001 0.16008 0.16012 Eigenvalues --- 0.16028 0.16052 0.16142 0.16175 0.16226 Eigenvalues --- 0.16365 0.16684 0.18507 0.19641 0.20348 Eigenvalues --- 0.22177 0.22624 0.23409 0.24063 0.24601 Eigenvalues --- 0.24970 0.25126 0.25570 0.25771 0.27180 Eigenvalues --- 0.29030 0.32697 0.33407 0.33460 0.33488 Eigenvalues --- 0.33597 0.33763 0.34060 0.34796 0.34833 Eigenvalues --- 0.34839 0.34891 0.34895 0.35224 0.35397 Eigenvalues --- 0.37050 0.38616 0.38952 0.39406 0.39678 Eigenvalues --- 0.40049 0.42730 0.45099 0.45374 0.47560 Eigenvalues --- 0.48297 0.49770 0.52776 0.53973 0.58922 Eigenvalues --- 0.61634 0.71000 0.73374 0.81365 0.87437 Eigenvalues --- 1.28055 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 18 17 16 RFO step: Lambda=-8.51838007D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.10262 0.17285 -0.27547 Iteration 1 RMS(Cart)= 0.01484225 RMS(Int)= 0.00012928 Iteration 2 RMS(Cart)= 0.00014809 RMS(Int)= 0.00000150 Iteration 3 RMS(Cart)= 0.00000002 RMS(Int)= 0.00000150 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03679 -0.00007 0.00016 -0.00021 -0.00004 2.03675 R2 2.03600 -0.00001 0.00011 0.00003 0.00015 2.03615 R3 2.03774 -0.00001 0.00008 -0.00007 0.00001 2.03775 R4 2.70833 -0.00015 -0.00030 -0.00031 -0.00061 2.70771 R5 2.94560 -0.00088 0.00125 -0.00207 -0.00082 2.94478 R6 4.04157 0.00147 -0.00309 0.00406 0.00097 4.04254 R7 2.73325 0.00015 -0.00023 0.00027 0.00003 2.73329 R8 2.95886 0.00011 0.00045 -0.00057 -0.00012 2.95874 R9 2.72471 0.00091 -0.00173 0.00181 0.00008 2.72478 R10 3.32212 -0.00136 0.00021 -0.00169 -0.00148 3.32064 R11 2.72394 0.00036 -0.00065 0.00069 0.00004 2.72398 R12 2.71203 0.00078 -0.00082 0.00112 0.00030 2.71233 R13 2.03653 -0.00017 0.00009 -0.00022 -0.00014 2.03639 R14 2.03646 -0.00002 0.00011 -0.00005 0.00006 2.03652 R15 2.03878 0.00006 -0.00001 0.00014 0.00013 2.03891 R16 2.60582 0.00021 -0.00064 0.00053 -0.00011 2.60572 R17 2.63283 0.00079 -0.00068 0.00145 0.00077 2.63361 R18 2.61926 0.00080 -0.00082 0.00141 0.00060 2.61985 R19 2.02687 0.00000 0.00015 -0.00009 0.00006 2.02694 R20 2.62107 0.00010 -0.00039 0.00028 -0.00012 2.62095 R21 2.02524 0.00005 0.00004 0.00004 0.00008 2.02532 R22 2.65695 0.00023 -0.00031 0.00053 0.00021 2.65717 R23 2.52566 0.00012 -0.00203 0.00036 -0.00168 2.52398 R24 2.59128 0.00004 -0.00028 -0.00000 -0.00028 2.59100 R25 2.55937 -0.00003 0.00004 0.00005 0.00009 2.55947 R26 2.02687 -0.00011 0.00025 -0.00033 -0.00008 2.02678 R27 2.65172 -0.00024 0.00044 -0.00042 0.00002 2.65174 R28 2.66324 0.00076 -0.00135 0.00186 0.00052 2.66375 R29 2.03889 -0.00006 0.00011 -0.00019 -0.00008 2.03881 R30 2.04839 -0.00001 -0.00006 0.00002 -0.00004 2.04835 R31 2.04899 -0.00002 -0.00004 -0.00001 -0.00005 2.04894 R32 2.04112 -0.00003 0.00013 -0.00015 -0.00002 2.04110 R33 2.04645 -0.00011 0.00010 -0.00020 -0.00010 2.04635 R34 2.05054 -0.00027 0.00071 -0.00079 -0.00008 2.05046 A1 1.93384 -0.00007 -0.00071 -0.00025 -0.00095 1.93289 A2 1.92409 0.00004 -0.00044 0.00055 0.00011 1.92420 A3 1.84268 0.00005 0.00011 0.00012 0.00023 1.84291 A4 1.93230 0.00002 0.00013 0.00031 0.00044 1.93275 A5 1.91247 0.00001 0.00063 0.00009 0.00072 1.91318 A6 1.91644 -0.00005 0.00029 -0.00084 -0.00055 1.91588 A7 2.21547 0.00091 -0.00425 0.00451 0.00026 2.21572 A8 1.82102 -0.00034 0.00031 -0.00121 -0.00089 1.82013 A9 2.03474 -0.00005 0.00043 -0.00066 -0.00024 2.03450 A10 1.81823 -0.00009 -0.00134 0.00037 -0.00098 1.81725 A11 1.92454 0.00016 -0.00025 0.00077 0.00052 1.92506 A12 1.77368 0.00051 0.00062 0.00094 0.00156 1.77525 A13 2.06005 -0.00016 0.00027 -0.00016 0.00011 2.06016 A14 1.87675 -0.00009 0.00134 -0.00113 0.00021 1.87696 A15 1.84634 -0.00025 0.00159 -0.00133 0.00026 1.84661 A16 1.82944 0.00046 -0.00181 0.00239 0.00058 1.83002 A17 1.89133 0.00025 -0.00182 0.00168 -0.00014 1.89119 A18 2.10269 -0.00047 0.00276 -0.00305 -0.00029 2.10239 A19 1.90085 0.00010 -0.00196 0.00145 -0.00050 1.90035 A20 2.14941 0.00049 -0.00046 0.00061 0.00014 2.14955 A21 1.91721 -0.00001 0.00007 -0.00126 -0.00119 1.91602 A22 1.84485 -0.00006 0.00083 -0.00090 -0.00007 1.84477 A23 1.90911 0.00002 0.00053 0.00008 0.00061 1.90972 A24 1.92625 0.00014 -0.00060 0.00153 0.00092 1.92718 A25 1.93463 -0.00001 -0.00035 0.00043 0.00009 1.93472 A26 1.92970 -0.00009 -0.00041 0.00004 -0.00037 1.92933 A27 2.09055 -0.00029 0.00137 -0.00160 -0.00023 2.09032 A28 2.08440 0.00034 -0.00101 0.00130 0.00029 2.08469 A29 2.10816 -0.00005 -0.00037 0.00029 -0.00008 2.10808 A30 2.08677 -0.00003 0.00018 -0.00001 0.00017 2.08695 A31 2.09939 -0.00016 0.00105 -0.00138 -0.00033 2.09906 A32 2.09689 0.00020 -0.00122 0.00138 0.00016 2.09705 A33 2.09793 0.00001 0.00021 -0.00021 -0.00000 2.09793 A34 2.07851 0.00002 -0.00012 0.00011 -0.00002 2.07850 A35 2.10673 -0.00002 -0.00009 0.00011 0.00002 2.10675 A36 2.09025 -0.00007 -0.00017 -0.00021 -0.00038 2.08986 A37 2.17269 -0.00016 0.00062 -0.00015 0.00047 2.17316 A38 2.02025 0.00023 -0.00045 0.00037 -0.00008 2.02016 A39 2.09086 0.00029 -0.00034 0.00108 0.00073 2.09160 A40 2.09647 -0.00007 -0.00054 -0.00073 -0.00127 2.09520 A41 2.09507 -0.00021 0.00088 -0.00031 0.00057 2.09564 A42 2.09238 -0.00014 0.00049 -0.00093 -0.00045 2.09193 A43 2.11052 0.00004 0.00018 0.00030 0.00048 2.11100 A44 2.08019 0.00010 -0.00067 0.00064 -0.00003 2.08016 A45 2.09692 0.00004 -0.00024 0.00065 0.00041 2.09734 A46 2.01894 0.00047 -0.00171 0.00032 -0.00139 2.01755 A47 1.84923 0.00006 0.00006 0.00017 0.00023 1.84946 A48 1.94076 0.00001 -0.00015 0.00032 0.00016 1.94092 A49 1.94324 -0.00014 -0.00008 -0.00037 -0.00045 1.94279 A50 1.90763 0.00003 0.00010 0.00007 0.00018 1.90781 A51 1.90807 0.00004 0.00002 0.00001 0.00002 1.90809 A52 1.91354 0.00001 0.00006 -0.00018 -0.00012 1.91342 A53 1.85892 -0.00001 0.00046 0.00013 0.00059 1.85951 A54 1.93877 -0.00006 0.00153 -0.00141 0.00012 1.93889 A55 1.93205 0.00005 -0.00007 -0.00029 -0.00036 1.93170 A56 1.91031 -0.00004 -0.00023 -0.00018 -0.00041 1.90990 A57 1.91149 -0.00001 -0.00022 0.00023 0.00000 1.91149 A58 1.91152 0.00007 -0.00142 0.00149 0.00006 1.91158 D1 -2.97024 -0.00023 -0.01213 -0.00806 -0.02019 -2.99043 D2 1.22957 -0.00018 -0.01169 -0.00788 -0.01957 1.21001 D3 -0.89633 -0.00019 -0.01244 -0.00778 -0.02022 -0.91656 D4 -1.38314 -0.00038 -0.00452 -0.00555 -0.01008 -1.39321 D5 2.77337 -0.00030 -0.00470 -0.00522 -0.00992 2.76345 D6 0.47048 0.00003 -0.00420 -0.00481 -0.00901 0.46147 D7 0.60700 0.00024 -0.01262 0.00499 -0.00763 0.59937 D8 -1.41125 0.00012 -0.01192 0.00423 -0.00769 -1.41895 D9 2.86417 -0.00009 -0.00961 0.00212 -0.00749 2.85667 D10 2.80481 0.00006 -0.01205 0.00385 -0.00819 2.79662 D11 0.78655 -0.00006 -0.01134 0.00310 -0.00825 0.77830 D12 -1.22121 -0.00027 -0.00904 0.00099 -0.00805 -1.22926 D13 -1.27968 0.00027 -0.01148 0.00464 -0.00684 -1.28652 D14 2.98525 0.00014 -0.01078 0.00388 -0.00690 2.97835 D15 0.97749 -0.00006 -0.00847 0.00177 -0.00670 0.97079 D16 2.87464 -0.00034 -0.00166 -0.00708 -0.00873 2.86591 D17 -1.51970 -0.00055 -0.00151 -0.00795 -0.00946 -1.52917 D18 0.58652 -0.00006 -0.00122 -0.00637 -0.00759 0.57893 D19 1.69556 -0.00007 0.00315 -0.00022 0.00292 1.69848 D20 -1.43275 -0.00004 0.00388 0.00058 0.00447 -1.42829 D21 -0.31273 0.00004 0.00165 0.00096 0.00262 -0.31011 D22 2.84214 0.00008 0.00239 0.00177 0.00416 2.84630 D23 -2.62938 0.00038 0.00098 0.00252 0.00349 -2.62589 D24 0.52549 0.00041 0.00171 0.00333 0.00504 0.53053 D25 1.07520 0.00026 0.01686 0.01124 0.02810 1.10330 D26 -3.12989 0.00039 0.01666 0.01187 0.02853 -3.10136 D27 -1.05193 0.00026 0.01690 0.01146 0.02836 -1.02357 D28 -3.13197 0.00006 -0.00028 0.00085 0.00057 -3.13140 D29 0.02718 0.00004 -0.00067 0.00092 0.00025 0.02743 D30 -0.00384 0.00003 -0.00103 0.00004 -0.00099 -0.00483 D31 -3.12788 0.00001 -0.00142 0.00012 -0.00131 -3.12919 D32 3.12726 -0.00008 0.00013 -0.00102 -0.00088 3.12638 D33 -0.02902 0.00001 0.00017 -0.00031 -0.00014 -0.02915 D34 -0.00091 -0.00004 0.00087 -0.00019 0.00068 -0.00024 D35 3.12599 0.00004 0.00091 0.00052 0.00142 3.12742 D36 0.00617 0.00002 -0.00020 0.00085 0.00065 0.00683 D37 -3.13099 0.00003 0.00067 0.00026 0.00093 -3.13006 D38 3.13024 0.00003 0.00022 0.00075 0.00097 3.13121 D39 -0.00693 0.00004 0.00109 0.00016 0.00125 -0.00568 D40 -0.00380 -0.00005 0.00157 -0.00158 -0.00001 -0.00381 D41 3.13513 0.00008 0.00249 -0.00003 0.00246 3.13759 D42 3.13330 -0.00005 0.00068 -0.00098 -0.00029 3.13300 D43 -0.01096 0.00007 0.00160 0.00057 0.00217 -0.00879 D44 -0.00097 0.00003 -0.00172 0.00142 -0.00030 -0.00128 D45 -3.10017 -0.00006 -0.00164 0.00052 -0.00112 -3.10129 D46 -3.14013 -0.00009 -0.00257 0.00001 -0.00256 3.14050 D47 0.04386 -0.00018 -0.00248 -0.00090 -0.00338 0.04048 D48 0.03328 0.00005 0.00392 0.00012 0.00404 0.03731 D49 -3.11089 0.00017 0.00481 0.00161 0.00642 -3.10447 D50 0.00331 0.00001 0.00051 -0.00054 -0.00002 0.00328 D51 -3.12386 -0.00007 0.00047 -0.00123 -0.00076 -3.12462 D52 3.10254 0.00011 0.00039 0.00035 0.00075 3.10329 D53 -0.02462 0.00002 0.00035 -0.00034 0.00001 -0.02462 D54 -1.46655 0.00008 0.01365 -0.00227 0.01139 -1.45516 D55 1.71754 -0.00003 0.01377 -0.00320 0.01057 1.72811 D56 3.12356 0.00002 -0.00310 -0.00017 -0.00327 3.12029 D57 1.05262 -0.00006 -0.00318 -0.00053 -0.00370 1.04892 D58 -1.08683 0.00002 -0.00308 -0.00026 -0.00334 -1.09017 D59 -3.12488 -0.00000 -0.03353 0.00836 -0.02516 3.13315 D60 1.07940 0.00009 -0.03437 0.00928 -0.02509 1.05431 D61 -1.04825 0.00001 -0.03356 0.00856 -0.02501 -1.07326 Item Value Threshold Converged? Maximum Force 0.001466 0.000450 NO RMS Force 0.000294 0.000300 YES Maximum Displacement 0.063467 0.001800 NO RMS Displacement 0.014830 0.001200 NO Predicted change in Energy=-3.963075D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.633900 -0.578276 -1.177138 2 1 0 -0.139426 -0.348142 -1.891742 3 1 0 0.700258 0.190944 -0.425564 4 1 0 0.449698 -1.539509 -0.724484 5 8 0 1.852634 -0.622298 -1.929360 6 15 0 3.248504 -1.096565 -1.424428 7 16 0 4.011701 0.577432 -0.332853 8 8 0 4.196060 -1.510198 -2.435912 9 8 0 2.916129 -2.102815 -0.271865 10 6 0 3.873820 -3.028876 0.262303 11 1 0 4.687195 -2.489429 0.719106 12 1 0 3.341807 -3.604249 1.002099 13 1 0 4.233524 -3.668908 -0.528329 14 8 0 2.893345 1.226922 0.304721 15 6 0 4.674391 1.672113 -1.537136 16 8 0 5.092792 0.042210 0.456200 17 6 0 3.918892 2.734775 -1.985800 18 6 0 4.441028 3.588873 -2.944916 19 6 0 5.711961 3.370910 -3.455643 20 6 0 6.472117 2.281983 -2.993527 21 6 0 5.953694 1.443572 -2.040522 22 1 0 3.851276 4.418546 -3.280305 23 8 0 6.296286 4.134641 -4.382570 24 8 0 7.731548 2.090303 -3.453440 25 1 0 6.548687 0.625467 -1.684151 26 1 0 2.939694 2.909588 -1.584426 27 6 0 5.638842 5.271839 -4.876161 28 6 0 7.833667 1.409731 -4.683627 29 1 0 6.316230 5.721957 -5.585066 30 1 0 5.429107 5.979111 -4.081994 31 1 0 4.716416 5.006058 -5.380242 32 1 0 8.887152 1.345885 -4.913231 33 1 0 7.325384 1.951089 -5.471798 34 1 0 7.418686 0.410317 -4.604202 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077800 0.000000 3 H 1.077482 1.773517 0.000000 4 H 1.078330 1.768874 1.773866 0.000000 5 O 1.432861 2.011189 2.061731 2.064275 0.000000 6 P 2.676926 3.500941 3.024726 2.918807 1.558313 7 S 3.668517 4.529755 3.335209 4.162052 2.941047 8 O 3.891269 4.521386 4.376759 4.118868 2.556679 9 O 2.890036 3.878053 3.192967 2.570109 2.463787 10 C 4.309816 5.285110 4.572952 3.862197 3.831474 11 H 4.865948 5.890493 4.938657 4.576317 4.305263 12 H 4.608509 5.576337 4.839369 3.950764 4.438820 13 H 4.788555 5.657656 5.233831 4.346281 4.112586 14 O 3.249575 4.062385 2.533021 3.831946 3.081203 15 C 4.638903 5.232592 4.384426 5.368701 3.657933 16 O 4.788999 5.748157 4.482631 5.045212 4.078124 17 C 4.735126 5.097369 4.389193 5.647630 3.942403 18 C 5.914761 6.131054 5.646806 6.867411 5.046295 19 C 6.824542 7.107452 6.664138 7.698237 5.759310 20 C 6.750194 7.200276 6.654414 7.484776 5.559399 21 C 5.756172 6.352833 5.636999 6.397241 4.593351 22 H 6.304209 6.369860 5.995921 7.321295 5.588356 23 O 8.034239 8.229092 7.907349 8.930854 6.956489 24 O 7.917037 8.386724 7.887625 8.581845 6.651515 25 H 6.057291 6.761795 5.998081 6.542610 4.865178 26 H 4.200924 4.493131 3.707972 5.170497 3.711454 27 C 8.541432 8.595308 8.367372 9.516202 7.599990 28 C 8.251321 8.628729 8.396551 8.882333 6.891146 29 H 9.560944 9.600117 9.420813 10.524749 8.575398 30 H 8.627371 8.708611 8.320720 9.622736 7.810480 31 H 8.094307 8.025976 7.991475 9.095351 7.196403 32 H 9.261585 9.668414 9.407352 9.851991 7.890606 33 H 8.343725 8.592244 8.512043 9.055182 7.008721 34 H 7.665208 8.065839 7.914949 8.211019 6.261151 6 7 8 9 10 6 P 0.000000 7 S 2.139222 0.000000 8 O 1.446394 2.969014 0.000000 9 O 1.565699 2.896156 2.583122 0.000000 10 C 2.640058 3.657687 3.112970 1.435303 0.000000 11 H 2.933367 3.311879 3.339797 2.065954 1.077614 12 H 3.490734 4.440418 4.115181 2.014570 1.077679 13 H 2.896586 4.256621 2.881025 2.062511 1.078947 14 O 2.917993 1.441894 4.086559 3.379366 4.367487 15 C 3.116318 1.757209 3.341214 4.352296 5.096881 16 O 2.869663 1.441466 3.402707 3.141507 3.309842 17 C 3.929850 2.719370 4.277759 5.229281 6.186733 18 C 5.068266 4.009486 5.130265 6.470381 7.375810 19 C 5.491155 4.521750 5.211817 6.922051 7.626214 20 C 4.926290 4.004787 4.457803 6.267291 6.749577 21 C 3.761638 2.727209 3.459823 4.993176 5.443498 22 H 5.850133 4.844312 5.998490 7.242468 8.247100 23 O 6.738330 5.854338 6.329663 8.199342 8.874635 24 O 5.862653 5.085676 5.147684 7.133927 7.409102 25 H 3.731495 2.874824 3.265129 4.757473 4.929281 26 H 4.021221 2.855623 4.673114 5.181462 6.288748 27 C 7.627892 6.732510 7.350678 9.110336 9.920735 28 C 6.158540 5.850588 5.177876 7.482233 7.735880 29 H 8.556524 7.704722 8.168009 10.050764 10.804359 30 H 7.866567 6.726310 7.766579 9.281685 10.121051 31 H 7.419247 6.751703 7.169480 8.937148 9.854361 32 H 7.066233 6.733528 6.025003 8.311974 8.429601 33 H 6.503103 6.267071 5.566847 7.931895 8.342257 34 H 5.456379 5.466251 4.333034 6.734835 6.933757 11 12 13 14 15 11 H 0.000000 12 H 1.770021 0.000000 13 H 1.775692 1.772442 0.000000 14 O 4.147394 4.901803 5.143851 0.000000 15 C 4.733839 6.005289 5.453308 2.600530 0.000000 16 O 2.577367 4.081742 3.934468 2.502809 2.608646 17 C 5.932884 7.031628 6.574980 2.927773 1.378886 18 C 7.101508 8.278178 7.652342 4.305145 2.389617 19 C 7.267892 8.610572 7.766208 5.165425 2.764621 20 C 6.303646 7.772489 6.819208 4.979879 2.392662 21 C 4.968709 6.446704 5.602068 3.861714 1.393644 22 H 8.025843 9.108445 8.551397 4.894538 3.355450 23 O 8.514375 9.879981 8.944581 6.481167 4.097692 24 O 6.903055 8.458698 7.345812 6.186874 3.632259 25 H 4.352399 5.948993 5.013737 4.204627 2.151759 26 H 6.124492 7.020105 6.787190 2.530294 2.131374 27 C 9.615089 10.891063 10.040693 7.123247 5.003726 28 C 7.368397 8.811600 7.484658 7.023092 4.466573 29 H 10.479657 11.798986 10.867226 8.161561 5.956728 30 H 9.763052 11.047426 10.350953 6.946702 5.059262 31 H 9.663603 10.805610 9.951345 7.065710 5.087870 32 H 8.004530 9.499779 8.125993 7.947760 5.408493 33 H 8.062601 9.414988 8.098262 7.316799 4.752594 34 H 6.648848 8.010512 6.587722 6.726298 4.304670 16 17 18 19 20 16 O 0.000000 17 C 3.819858 0.000000 18 C 4.956936 1.386367 0.000000 19 C 5.173600 2.404205 1.386946 0.000000 20 C 4.338172 2.781993 2.415708 1.406112 0.000000 21 C 2.989748 2.410522 2.776401 2.403255 1.371099 22 H 5.886862 2.124947 1.071751 2.142529 3.393516 23 O 6.450588 3.654604 2.409708 1.335632 2.322219 24 O 5.142276 4.135898 3.651278 2.391378 1.354411 25 H 2.653474 3.384670 3.848835 3.372797 2.112906 26 H 4.125753 1.072609 2.136906 3.376350 3.854538 27 C 7.488743 4.212969 2.827868 2.374183 3.630138 28 C 5.983339 4.935532 4.391102 3.139396 2.339034 29 H 8.381720 5.255968 3.877734 3.229087 4.309733 30 H 7.480316 4.147348 2.825329 2.697227 3.992667 31 H 7.671083 4.161371 2.831089 2.714572 4.024858 32 H 6.702800 5.931481 5.354743 4.038209 3.223963 33 H 6.615848 4.936651 4.169769 2.946847 2.641852 34 H 5.581484 4.950524 4.660783 3.605165 2.644504 21 22 23 24 25 21 C 0.000000 22 H 3.848076 0.000000 23 O 3.583909 2.696973 0.000000 24 O 2.361220 4.528488 2.665066 0.000000 25 H 1.072527 4.920486 4.433901 2.583658 0.000000 26 H 3.382517 2.446210 4.538400 5.208292 4.272234 27 C 4.774474 2.543670 1.403241 4.065184 5.710125 28 C 3.243678 5.184758 3.143137 1.409598 3.356055 29 H 5.567747 3.617569 1.991474 4.442507 6.422258 30 H 5.001391 2.359581 2.060198 4.562800 5.971987 31 H 5.037449 2.345927 2.061724 4.615757 6.017299 32 H 4.106967 6.121090 3.843351 2.005136 4.051466 33 H 3.729981 4.791702 2.648274 2.063521 4.087395 34 H 3.128302 5.526755 3.896087 2.060216 3.054486 26 27 28 29 30 26 H 0.000000 27 C 4.868383 0.000000 28 C 5.983777 4.446370 0.000000 29 H 5.942688 1.078892 4.659453 0.000000 30 H 4.675147 1.083939 5.198375 1.764183 0.000000 31 H 4.686166 1.084255 4.809999 1.764617 1.772064 32 H 6.992737 5.095685 1.080104 5.119669 5.840875 33 H 5.938405 3.771815 1.082882 3.905210 4.663945 34 H 5.952040 5.184227 1.085056 5.512806 5.936548 31 32 33 34 31 H 0.000000 32 H 5.568663 0.000000 33 H 4.018449 1.765613 0.000000 34 H 5.387517 1.768382 1.770708 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.337936 2.161394 1.241010 2 1 0 3.204244 2.877033 2.035768 3 1 0 3.152168 2.616621 0.282247 4 1 0 4.330947 1.742723 1.278934 5 8 0 2.369030 1.133504 1.481328 6 15 0 2.251090 -0.233759 0.743073 7 16 0 1.256668 0.240509 -1.090630 8 8 0 1.544338 -1.286153 1.439508 9 8 0 3.707206 -0.527551 0.248274 10 6 0 4.140137 -1.822997 -0.192731 11 1 0 3.586439 -2.113276 -1.070460 12 1 0 5.186765 -1.716686 -0.426526 13 1 0 4.000714 -2.537985 0.603184 14 8 0 1.694920 1.553072 -1.495810 15 6 0 -0.454332 0.324674 -0.699246 16 8 0 1.485131 -0.900909 -1.940802 17 6 0 -1.040948 1.548076 -0.453285 18 6 0 -2.388429 1.608739 -0.132931 19 6 0 -3.139504 0.445543 -0.052431 20 6 0 -2.530099 -0.796902 -0.301643 21 6 0 -1.198531 -0.851227 -0.623957 22 1 0 -2.838882 2.564580 0.046266 23 8 0 -4.439102 0.403495 0.252842 24 8 0 -3.267747 -1.932397 -0.270715 25 1 0 -0.748080 -1.803087 -0.827355 26 1 0 -0.463049 2.448868 -0.524673 27 6 0 -5.150071 1.592668 0.475274 28 6 0 -3.472882 -2.490746 1.007225 29 1 0 -6.167238 1.296536 0.679448 30 1 0 -5.131451 2.230388 -0.401019 31 1 0 -4.755856 2.133875 1.328092 32 1 0 -4.077986 -3.373814 0.863479 33 1 0 -3.994687 -1.798189 1.655853 34 1 0 -2.526952 -2.769177 1.460039 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6173802 0.1844874 0.1693794 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.4870812334 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.55D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999997 -0.002281 -0.000161 0.000371 Ang= -0.27 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.62356370 A.U. after 11 cycles NFock= 11 Conv=0.55D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000131059 0.000050758 -0.000291548 2 1 0.000055339 0.000117727 0.000062275 3 1 0.000025610 -0.000055043 0.000037363 4 1 -0.000024527 -0.000034620 -0.000078611 5 8 0.000471209 -0.000248200 0.000464422 6 15 -0.001192685 -0.000773644 -0.001140049 7 16 0.001445207 0.001652080 -0.001344286 8 8 0.000124392 -0.000214752 -0.000063829 9 8 0.000087877 0.000922698 0.000444198 10 6 0.000219537 -0.000667631 0.000130858 11 1 -0.000099296 -0.000003738 0.000034453 12 1 -0.000048923 -0.000115555 -0.000185238 13 1 0.000114854 0.000064490 0.000003106 14 8 -0.000683113 -0.000009688 0.000685232 15 6 -0.000779049 -0.000878613 0.000820366 16 8 0.000011901 0.000021168 0.000669880 17 6 -0.000397861 0.000019256 0.000403011 18 6 0.000178142 0.000336155 -0.000454756 19 6 -0.000325310 -0.000434174 0.000459275 20 6 0.000081934 0.000141110 0.000468269 21 6 0.000799887 -0.000202372 -0.000326829 22 1 -0.000005526 0.000032552 -0.000004748 23 8 0.000046605 0.000818163 -0.000695674 24 8 -0.000378557 0.000090586 0.000164030 25 1 -0.000094994 0.000046755 -0.000016649 26 1 0.000050175 -0.000114825 0.000089571 27 6 0.000157344 -0.000037329 0.000021273 28 6 0.000062848 -0.000614108 -0.000607892 29 1 -0.000016277 -0.000022791 0.000025972 30 1 0.000002090 -0.000044728 0.000030457 31 1 0.000000160 -0.000033617 0.000024548 32 1 -0.000004572 -0.000006744 0.000087260 33 1 0.000186792 -0.000020102 0.000087975 34 1 0.000059846 0.000218775 -0.000003683 ------------------------------------------------------------------- Cartesian Forces: Max 0.001652080 RMS 0.000445016 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001188438 RMS 0.000257195 Search for a local minimum. Step number 19 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 DE= -4.74D-05 DEPred=-3.96D-05 R= 1.20D+00 TightC=F SS= 1.41D+00 RLast= 8.37D-02 DXNew= 5.0454D+00 2.5108D-01 Trust test= 1.20D+00 RLast= 8.37D-02 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 Eigenvalues --- 0.00255 0.00523 0.00679 0.00839 0.01270 Eigenvalues --- 0.01661 0.01822 0.01930 0.02047 0.02140 Eigenvalues --- 0.02514 0.02688 0.02740 0.02763 0.02840 Eigenvalues --- 0.02991 0.03529 0.04415 0.05013 0.09850 Eigenvalues --- 0.10079 0.10117 0.10282 0.10450 0.10504 Eigenvalues --- 0.10550 0.10581 0.10911 0.11020 0.11354 Eigenvalues --- 0.12003 0.13620 0.15734 0.15896 0.15967 Eigenvalues --- 0.15989 0.15998 0.15999 0.16009 0.16013 Eigenvalues --- 0.16040 0.16052 0.16111 0.16212 0.16237 Eigenvalues --- 0.16370 0.16687 0.18543 0.19677 0.21363 Eigenvalues --- 0.22173 0.22504 0.23147 0.24076 0.24831 Eigenvalues --- 0.24952 0.25127 0.25629 0.26134 0.26421 Eigenvalues --- 0.29075 0.32829 0.33325 0.33459 0.33488 Eigenvalues --- 0.33588 0.33762 0.34035 0.34687 0.34805 Eigenvalues --- 0.34849 0.34895 0.34901 0.34926 0.35365 Eigenvalues --- 0.36984 0.38586 0.39013 0.39373 0.39613 Eigenvalues --- 0.40033 0.42553 0.45044 0.45333 0.47509 Eigenvalues --- 0.48202 0.49231 0.52324 0.52829 0.59010 Eigenvalues --- 0.60537 0.70393 0.73250 0.84015 0.87438 Eigenvalues --- 1.29634 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 19 18 17 16 RFO step: Lambda=-8.78674508D-05. DidBck=F Rises=F RFO-DIIS coefs: 3.00000 -1.67159 -0.82125 0.49284 Iteration 1 RMS(Cart)= 0.02680835 RMS(Int)= 0.00058309 Iteration 2 RMS(Cart)= 0.00062981 RMS(Int)= 0.00000387 Iteration 3 RMS(Cart)= 0.00000038 RMS(Int)= 0.00000386 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03675 -0.00006 -0.00041 0.00022 -0.00019 2.03655 R2 2.03615 -0.00001 0.00020 0.00006 0.00026 2.03640 R3 2.03775 0.00000 -0.00037 0.00037 -0.00000 2.03774 R4 2.70771 -0.00008 -0.00100 -0.00028 -0.00128 2.70643 R5 2.94478 -0.00047 -0.00351 0.00173 -0.00179 2.94300 R6 4.04254 0.00119 0.00637 -0.00179 0.00459 4.04713 R7 2.73329 0.00019 0.00039 -0.00003 0.00036 2.73364 R8 2.95874 0.00013 -0.00045 0.00029 -0.00015 2.95859 R9 2.72478 0.00083 0.00310 -0.00206 0.00104 2.72582 R10 3.32064 -0.00097 -0.00450 0.00072 -0.00378 3.31686 R11 2.72398 0.00037 0.00111 -0.00060 0.00050 2.72448 R12 2.71233 0.00058 0.00174 -0.00008 0.00166 2.71399 R13 2.03639 -0.00006 -0.00035 0.00032 -0.00003 2.03636 R14 2.03652 -0.00004 0.00010 -0.00023 -0.00014 2.03638 R15 2.03891 -0.00000 0.00043 -0.00041 0.00001 2.03893 R16 2.60572 0.00017 0.00064 -0.00048 0.00015 2.60587 R17 2.63361 0.00056 0.00350 -0.00116 0.00233 2.63594 R18 2.61985 0.00056 0.00288 -0.00106 0.00182 2.62167 R19 2.02694 -0.00003 -0.00002 -0.00002 -0.00004 2.02690 R20 2.62095 0.00008 0.00063 -0.00086 -0.00023 2.62072 R21 2.02532 0.00003 0.00009 0.00004 0.00013 2.02545 R22 2.65717 0.00044 0.00120 -0.00033 0.00086 2.65803 R23 2.52398 0.00088 -0.00191 0.00070 -0.00121 2.52276 R24 2.59100 -0.00001 -0.00059 -0.00029 -0.00088 2.59012 R25 2.55947 0.00007 0.00029 -0.00028 0.00000 2.55947 R26 2.02678 -0.00009 -0.00056 0.00033 -0.00023 2.02655 R27 2.65174 -0.00022 -0.00058 0.00011 -0.00046 2.65128 R28 2.66375 0.00061 0.00292 -0.00085 0.00207 2.66582 R29 2.03881 -0.00004 -0.00048 0.00027 -0.00021 2.03860 R30 2.04835 -0.00001 -0.00002 -0.00006 -0.00009 2.04826 R31 2.04894 -0.00000 -0.00005 0.00002 -0.00002 2.04892 R32 2.04110 -0.00002 -0.00023 0.00016 -0.00007 2.04103 R33 2.04635 -0.00016 -0.00015 -0.00019 -0.00034 2.04601 R34 2.05046 -0.00022 -0.00124 0.00044 -0.00079 2.04967 A1 1.93289 -0.00003 -0.00159 -0.00011 -0.00169 1.93119 A2 1.92420 0.00003 0.00086 -0.00033 0.00053 1.92472 A3 1.84291 0.00001 0.00013 0.00026 0.00038 1.84329 A4 1.93275 0.00002 0.00128 -0.00081 0.00048 1.93323 A5 1.91318 -0.00000 0.00110 -0.00011 0.00099 1.91418 A6 1.91588 -0.00003 -0.00187 0.00117 -0.00069 1.91519 A7 2.21572 0.00073 0.00764 -0.00493 0.00272 2.21844 A8 1.82013 -0.00029 -0.00169 -0.00270 -0.00439 1.81574 A9 2.03450 -0.00002 -0.00130 0.00222 0.00092 2.03542 A10 1.81725 0.00020 0.00071 0.00045 0.00116 1.81841 A11 1.92506 0.00020 -0.00008 0.00235 0.00228 1.92733 A12 1.77525 0.00000 0.00250 -0.00241 0.00008 1.77533 A13 2.06016 -0.00012 0.00012 -0.00081 -0.00070 2.05946 A14 1.87696 -0.00019 -0.00045 -0.00205 -0.00251 1.87444 A15 1.84661 -0.00027 -0.00181 0.00171 -0.00011 1.84650 A16 1.83002 0.00023 0.00314 -0.00061 0.00252 1.83254 A17 1.89119 0.00031 0.00317 -0.00208 0.00110 1.89229 A18 2.10239 -0.00039 -0.00523 0.00261 -0.00262 2.09978 A19 1.90035 0.00028 0.00133 0.00046 0.00179 1.90213 A20 2.14955 0.00032 0.00047 -0.00020 0.00027 2.14982 A21 1.91602 -0.00004 -0.00356 0.00120 -0.00236 1.91366 A22 1.84477 -0.00002 -0.00169 0.00203 0.00035 1.84512 A23 1.90972 0.00005 0.00099 0.00007 0.00106 1.91077 A24 1.92718 0.00009 0.00311 -0.00130 0.00181 1.92899 A25 1.93472 -0.00002 0.00108 -0.00143 -0.00035 1.93437 A26 1.92933 -0.00005 -0.00011 -0.00039 -0.00050 1.92883 A27 2.09032 -0.00028 -0.00298 0.00179 -0.00119 2.08913 A28 2.08469 0.00030 0.00241 -0.00106 0.00134 2.08603 A29 2.10808 -0.00003 0.00053 -0.00072 -0.00019 2.10789 A30 2.08695 -0.00003 0.00018 0.00009 0.00027 2.08722 A31 2.09906 -0.00014 -0.00255 0.00101 -0.00153 2.09753 A32 2.09705 0.00017 0.00237 -0.00110 0.00127 2.09832 A33 2.09793 0.00001 -0.00044 0.00026 -0.00017 2.09775 A34 2.07850 0.00000 -0.00006 0.00006 0.00000 2.07850 A35 2.10675 -0.00001 0.00051 -0.00033 0.00017 2.10693 A36 2.08986 -0.00003 -0.00081 0.00034 -0.00047 2.08939 A37 2.17316 -0.00033 0.00086 -0.00049 0.00035 2.17351 A38 2.02016 0.00036 -0.00002 0.00015 0.00012 2.02028 A39 2.09160 0.00009 0.00269 -0.00128 0.00141 2.09301 A40 2.09520 0.00041 -0.00395 0.00186 -0.00209 2.09311 A41 2.09564 -0.00050 0.00130 -0.00049 0.00080 2.09644 A42 2.09193 -0.00002 -0.00217 0.00132 -0.00085 2.09108 A43 2.11100 -0.00004 0.00129 -0.00108 0.00021 2.11121 A44 2.08016 0.00006 0.00087 -0.00021 0.00066 2.08083 A45 2.09734 -0.00003 0.00176 -0.00151 0.00026 2.09759 A46 2.01755 0.00087 -0.00405 0.00402 -0.00003 2.01752 A47 1.84946 0.00002 0.00013 -0.00007 0.00006 1.84952 A48 1.94092 -0.00007 0.00017 -0.00083 -0.00065 1.94027 A49 1.94279 -0.00005 -0.00023 0.00011 -0.00012 1.94267 A50 1.90781 0.00004 0.00031 0.00021 0.00052 1.90833 A51 1.90809 0.00004 -0.00007 0.00038 0.00031 1.90841 A52 1.91342 0.00002 -0.00029 0.00020 -0.00009 1.91333 A53 1.85951 -0.00013 0.00227 -0.00175 0.00053 1.86004 A54 1.93889 0.00004 -0.00294 0.00217 -0.00077 1.93812 A55 1.93170 0.00001 -0.00178 0.00101 -0.00077 1.93092 A56 1.90990 -0.00001 -0.00068 0.00037 -0.00031 1.90959 A57 1.91149 0.00003 0.00057 -0.00004 0.00052 1.91201 A58 1.91158 0.00006 0.00255 -0.00175 0.00080 1.91239 D1 -2.99043 -0.00021 -0.03583 -0.00223 -0.03806 -3.02849 D2 1.21001 -0.00017 -0.03460 -0.00219 -0.03679 1.17322 D3 -0.91656 -0.00018 -0.03570 -0.00187 -0.03757 -0.95413 D4 -1.39321 -0.00011 -0.01787 -0.00898 -0.02685 -1.42006 D5 2.76345 -0.00014 -0.01571 -0.01132 -0.02703 2.73642 D6 0.46147 -0.00014 -0.01549 -0.01235 -0.02784 0.43363 D7 0.59937 0.00033 -0.00062 0.00331 0.00269 0.60206 D8 -1.41895 0.00019 -0.00318 0.00582 0.00265 -1.41630 D9 2.85667 -0.00011 -0.00525 0.00484 -0.00041 2.85626 D10 2.79662 0.00024 -0.00332 0.00564 0.00232 2.79893 D11 0.77830 0.00011 -0.00588 0.00816 0.00228 0.78058 D12 -1.22926 -0.00020 -0.00796 0.00718 -0.00079 -1.23005 D13 -1.28652 0.00020 -0.00171 0.00444 0.00273 -1.28378 D14 2.97835 0.00007 -0.00427 0.00695 0.00269 2.98104 D15 0.97079 -0.00023 -0.00634 0.00598 -0.00037 0.97042 D16 2.86591 -0.00007 -0.00764 0.00282 -0.00482 2.86109 D17 -1.52917 -0.00032 -0.00841 -0.00074 -0.00915 -1.53832 D18 0.57893 -0.00013 -0.00659 -0.00002 -0.00661 0.57232 D19 1.69848 -0.00005 0.00635 0.00279 0.00915 1.70763 D20 -1.42829 -0.00004 0.00968 0.00252 0.01220 -1.41608 D21 -0.31011 0.00016 0.00631 0.00528 0.01159 -0.29852 D22 2.84630 0.00017 0.00964 0.00501 0.01464 2.86095 D23 -2.62589 0.00022 0.00965 0.00313 0.01278 -2.61310 D24 0.53053 0.00022 0.01298 0.00285 0.01584 0.54637 D25 1.10330 0.00024 0.04747 0.00932 0.05680 1.16009 D26 -3.10136 0.00031 0.04833 0.00957 0.05790 -3.04346 D27 -1.02357 0.00027 0.04778 0.01028 0.05806 -0.96551 D28 -3.13140 0.00002 0.00058 0.00207 0.00264 -3.12876 D29 0.02743 0.00002 0.00032 0.00143 0.00175 0.02918 D30 -0.00483 0.00002 -0.00279 0.00234 -0.00044 -0.00527 D31 -3.12919 0.00002 -0.00304 0.00171 -0.00133 -3.13052 D32 3.12638 -0.00004 -0.00092 -0.00236 -0.00329 3.12309 D33 -0.02915 0.00001 -0.00154 0.00003 -0.00153 -0.03068 D34 -0.00024 -0.00004 0.00247 -0.00266 -0.00019 -0.00043 D35 3.12742 0.00002 0.00184 -0.00027 0.00157 3.12899 D36 0.00683 0.00001 0.00290 -0.00207 0.00083 0.00766 D37 -3.13006 0.00001 -0.00037 0.00034 -0.00004 -3.13010 D38 3.13121 0.00000 0.00310 -0.00141 0.00169 3.13289 D39 -0.00568 0.00001 -0.00017 0.00099 0.00082 -0.00486 D40 -0.00381 -0.00001 -0.00268 0.00209 -0.00058 -0.00439 D41 3.13759 0.00003 -0.00589 0.00395 -0.00195 3.13564 D42 3.13300 -0.00002 0.00065 -0.00035 0.00030 3.13330 D43 -0.00879 0.00002 -0.00257 0.00150 -0.00107 -0.00985 D44 -0.00128 -0.00001 0.00233 -0.00239 -0.00005 -0.00133 D45 -3.10129 -0.00004 0.00118 -0.00482 -0.00364 -3.10493 D46 3.14050 -0.00004 0.00528 -0.00409 0.00119 -3.14150 D47 0.04048 -0.00007 0.00413 -0.00651 -0.00239 0.03809 D48 0.03731 0.00005 0.00889 -0.00070 0.00819 0.04550 D49 -3.10447 0.00009 0.00579 0.00109 0.00688 -3.09759 D50 0.00328 0.00003 -0.00221 0.00265 0.00044 0.00372 D51 -3.12462 -0.00003 -0.00160 0.00031 -0.00129 -3.12591 D52 3.10329 0.00008 -0.00118 0.00513 0.00396 3.10724 D53 -0.02462 0.00003 -0.00057 0.00280 0.00223 -0.02239 D54 -1.45516 -0.00010 0.00049 -0.00288 -0.00239 -1.45755 D55 1.72811 -0.00015 -0.00070 -0.00530 -0.00600 1.72212 D56 3.12029 -0.00000 -0.00535 0.00066 -0.00469 3.11560 D57 1.04892 -0.00003 -0.00589 0.00089 -0.00500 1.04392 D58 -1.09017 0.00002 -0.00547 0.00113 -0.00434 -1.09451 D59 3.13315 0.00012 -0.02185 0.01139 -0.01047 3.12267 D60 1.05431 0.00019 -0.02080 0.01080 -0.01000 1.04432 D61 -1.07326 0.00008 -0.02079 0.01084 -0.00996 -1.08321 Item Value Threshold Converged? Maximum Force 0.001188 0.000450 NO RMS Force 0.000257 0.000300 YES Maximum Displacement 0.138591 0.001800 NO RMS Displacement 0.026878 0.001200 NO Predicted change in Energy=-3.462742D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.637573 -0.594813 -1.195446 2 1 0 -0.120727 -0.315662 -1.908530 3 1 0 0.700528 0.132927 -0.403177 4 1 0 0.433543 -1.576169 -0.797823 5 8 0 1.867363 -0.616445 -1.929136 6 15 0 3.258862 -1.092492 -1.416784 7 16 0 4.013990 0.589120 -0.326544 8 8 0 4.211092 -1.511451 -2.421936 9 8 0 2.920483 -2.094154 -0.262084 10 6 0 3.873145 -3.024925 0.275235 11 1 0 4.659075 -2.487902 0.780344 12 1 0 3.323555 -3.635029 0.973061 13 1 0 4.273784 -3.630662 -0.522708 14 8 0 2.888648 1.235584 0.303002 15 6 0 4.678020 1.680059 -1.530567 16 8 0 5.091240 0.061817 0.473505 17 6 0 3.924436 2.745069 -1.977128 18 6 0 4.445597 3.597050 -2.940043 19 6 0 5.712999 3.373472 -3.456752 20 6 0 6.470900 2.281597 -2.996499 21 6 0 5.955200 1.446022 -2.040200 22 1 0 3.857172 4.428478 -3.273638 23 8 0 6.295227 4.132249 -4.388129 24 8 0 7.725526 2.083766 -3.466828 25 1 0 6.548421 0.625477 -1.686861 26 1 0 2.947478 2.922086 -1.571342 27 6 0 5.644159 5.275928 -4.874448 28 6 0 7.814443 1.396407 -4.695520 29 1 0 6.320950 5.722833 -5.585784 30 1 0 5.444593 5.981801 -4.076487 31 1 0 4.716660 5.018921 -5.373722 32 1 0 8.864784 1.337295 -4.940135 33 1 0 7.292087 1.931043 -5.478816 34 1 0 7.406193 0.395703 -4.604080 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077698 0.000000 3 H 1.077617 1.772506 0.000000 4 H 1.078327 1.769113 1.774270 0.000000 5 O 1.432184 2.010819 2.061943 2.063195 0.000000 6 P 2.677280 3.502413 3.012328 2.932487 1.557368 7 S 3.681967 4.518539 3.345597 4.210722 2.937634 8 O 3.887742 4.523069 4.370746 4.112396 2.556747 9 O 2.886324 3.888801 3.147697 2.596188 2.464092 10 C 4.305493 5.297164 4.527447 3.883453 3.831865 11 H 4.864155 5.898744 4.892807 4.601846 4.317093 12 H 4.599982 5.584339 4.792890 3.965741 4.433406 13 H 4.784452 5.676394 5.191054 4.363952 4.105412 14 O 3.265430 4.043955 2.549982 3.891697 3.074975 15 C 4.648931 5.210924 4.414190 5.399585 3.651381 16 O 4.801219 5.742924 4.477944 5.098373 4.077512 17 C 4.750717 5.073078 4.437814 5.678925 3.941273 18 C 5.925907 6.101200 5.697489 6.888241 5.042099 19 C 6.827938 7.073829 6.704500 7.709831 5.748214 20 C 6.748721 7.167913 6.681264 7.494412 5.543507 21 C 5.758105 6.327539 5.658237 6.416060 4.580013 22 H 6.318081 6.339878 6.054396 7.342116 5.587331 23 O 8.034139 8.191263 7.948275 8.935081 6.942819 24 O 7.910312 8.351601 7.908371 8.584388 6.631268 25 H 6.055470 6.738873 6.007354 6.559676 4.849059 26 H 4.224398 4.473319 3.767334 5.210805 3.716970 27 C 8.547898 8.561335 8.419158 9.524737 7.593360 28 C 8.229395 8.582856 8.404069 8.860357 6.860920 29 H 9.564962 9.564560 9.470776 10.529081 8.566911 30 H 8.640584 8.679335 8.379063 9.642778 7.806699 31 H 8.100059 7.991598 8.044164 9.098304 7.193123 32 H 9.243524 9.626126 9.417513 9.835285 7.864294 33 H 8.307212 8.529035 8.511403 9.013981 6.965455 34 H 7.642913 8.026615 7.917233 8.184969 6.233652 6 7 8 9 10 6 P 0.000000 7 S 2.141649 0.000000 8 O 1.446582 2.973535 0.000000 9 O 1.565618 2.898253 2.582668 0.000000 10 C 2.640942 3.666510 3.111196 1.436180 0.000000 11 H 2.955527 3.333076 3.377683 2.065041 1.077597 12 H 3.489992 4.473154 4.101623 2.015526 1.077607 13 H 2.876065 4.232320 2.846410 2.064026 1.078954 14 O 2.917989 1.442442 4.089052 3.377498 4.372864 15 C 3.116728 1.755208 3.346385 4.352318 5.103491 16 O 2.874584 1.441733 3.410778 3.146663 3.324311 17 C 3.934952 2.716719 4.289288 5.231384 6.194240 18 C 5.071534 4.008030 5.140059 6.472035 7.383513 19 C 5.488997 4.520779 5.214311 6.920909 7.632318 20 C 4.919061 4.003691 4.452423 6.263360 6.753648 21 C 3.755388 2.727489 3.454603 4.990396 5.448446 22 H 5.855509 4.842585 6.011107 7.245107 8.255179 23 O 6.733968 5.852716 6.329367 8.196417 8.879110 24 O 5.851699 5.086339 5.135040 7.128383 7.412328 25 H 3.720962 2.876651 3.251138 4.752716 4.932784 26 H 4.029601 2.851264 4.687908 5.184357 6.295527 27 C 7.629014 6.731052 7.357786 9.111006 9.927734 28 C 6.139874 5.846632 5.158388 7.469285 7.732427 29 H 8.556026 7.703030 8.172900 10.050385 10.810484 30 H 7.867468 6.722329 7.772252 9.281264 10.125614 31 H 7.425086 6.752102 7.184316 8.941528 9.865379 32 H 7.052959 6.736110 6.009453 8.306245 8.434780 33 H 6.473699 6.252406 5.539659 7.907429 8.328259 34 H 5.438192 5.462761 4.313660 6.721154 6.927542 11 12 13 14 15 11 H 0.000000 12 H 1.771060 0.000000 13 H 1.775471 1.772083 0.000000 14 O 4.150495 4.935686 5.126475 0.000000 15 C 4.765770 6.029336 5.420604 2.600267 0.000000 16 O 2.604224 4.128067 3.910892 2.501642 2.608786 17 C 5.960481 7.054809 6.548842 2.924106 1.378968 18 C 7.135369 8.299056 7.623178 4.303250 2.390711 19 C 7.308861 8.628544 7.729027 5.165586 2.765685 20 C 6.347864 7.789073 6.775085 4.981303 2.392744 21 C 5.011105 6.467023 5.559017 3.865052 1.394879 22 H 8.056931 9.129039 8.525897 4.891316 3.356471 23 O 8.556665 9.894636 8.904522 6.480908 4.098080 24 O 6.952823 8.473169 7.296373 6.190834 3.633095 25 H 4.398847 5.968824 4.964267 4.210193 2.152897 26 H 6.142310 7.043521 6.767365 2.522086 2.130510 27 C 9.655264 10.907966 10.007144 7.122024 5.004522 28 C 7.418174 8.810008 7.431020 7.019583 4.464811 29 H 10.521672 11.814076 10.831135 8.160509 5.957182 30 H 9.794984 11.067076 10.315018 6.945456 5.057107 31 H 9.707123 10.821887 9.926921 7.062610 5.091103 32 H 8.064986 9.507634 8.079080 7.950788 5.410326 33 H 8.101662 9.399847 8.037769 7.300915 4.741836 34 H 6.697302 8.001202 6.533085 6.722579 4.305691 16 17 18 19 20 16 O 0.000000 17 C 3.816658 0.000000 18 C 4.956515 1.387330 0.000000 19 C 5.176926 2.404815 1.386824 0.000000 20 C 4.344170 2.781798 2.415669 1.406570 0.000000 21 C 2.996859 2.411536 2.777686 2.404235 1.370635 22 H 5.884873 2.125871 1.071822 2.142583 3.393741 23 O 6.453952 3.654839 2.409258 1.334989 2.322156 24 O 5.153054 4.135797 3.650406 2.390337 1.354413 25 H 2.666134 3.385590 3.850010 3.373710 2.112793 26 H 4.118041 1.072588 2.138523 3.377369 3.854323 27 C 7.489545 4.213925 2.827916 2.373593 3.629905 28 C 5.992978 4.933630 4.390176 3.139968 2.339945 29 H 8.382975 5.256687 3.877608 3.228293 4.309174 30 H 7.474858 4.146640 2.824276 2.694345 3.988883 31 H 7.674845 4.163517 2.831604 2.715689 4.027591 32 H 6.721158 5.930284 5.351268 4.034872 3.224919 33 H 6.615728 4.926006 4.162145 2.943275 2.638017 34 H 5.590380 4.954092 4.667201 3.612530 2.648713 21 22 23 24 25 21 C 0.000000 22 H 3.849433 0.000000 23 O 3.583881 2.697027 0.000000 24 O 2.361364 4.527600 2.662862 0.000000 25 H 1.072405 4.921737 4.433780 2.584660 0.000000 26 H 3.383044 2.448381 4.539406 5.208205 4.272534 27 C 4.774714 2.544423 1.402996 4.062435 5.710087 28 C 3.241908 5.184129 3.144414 1.410692 3.353979 29 H 5.567409 3.618228 1.991229 4.439100 6.421555 30 H 4.998047 2.361628 2.059500 4.557303 5.968162 31 H 5.041027 2.344716 2.061421 4.615697 6.020850 32 H 4.109394 6.116273 3.836548 2.006430 4.056601 33 H 3.721101 4.785251 2.651157 2.063805 4.078783 34 H 3.127623 5.534338 3.904184 2.060309 3.049382 26 27 28 29 30 26 H 0.000000 27 C 4.870644 0.000000 28 C 5.981266 4.448913 0.000000 29 H 5.944766 1.078781 4.662729 0.000000 30 H 4.676878 1.083894 5.198579 1.764382 0.000000 31 H 4.688796 1.084243 4.814439 1.764713 1.771960 32 H 6.991054 5.088179 1.080068 5.110860 5.832240 33 H 5.926732 3.777457 1.082702 3.915637 4.667805 34 H 5.954851 5.195619 1.084637 5.524473 5.943965 31 32 33 34 31 H 0.000000 32 H 5.563210 0.000000 33 H 4.022295 1.765245 0.000000 34 H 5.403710 1.768337 1.770721 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.335762 2.142565 1.285325 2 1 0 3.158979 2.871017 2.059624 3 1 0 3.202470 2.583516 0.311130 4 1 0 4.325063 1.724997 1.383867 5 8 0 2.355975 1.118026 1.489008 6 15 0 2.248112 -0.241667 0.737347 7 16 0 1.254298 0.254552 -1.093707 8 8 0 1.546014 -1.306067 1.420509 9 8 0 3.706325 -0.522816 0.241634 10 6 0 4.148937 -1.813545 -0.206388 11 1 0 3.637269 -2.075741 -1.117796 12 1 0 5.207409 -1.714260 -0.382508 13 1 0 3.960773 -2.545648 0.563522 14 8 0 1.693216 1.573483 -1.478952 15 6 0 -0.455390 0.330800 -0.703955 16 8 0 1.487570 -0.872433 -1.962087 17 6 0 -1.045376 1.551910 -0.454234 18 6 0 -2.393441 1.608140 -0.131363 19 6 0 -3.140657 0.442572 -0.051370 20 6 0 -2.527144 -0.797618 -0.304292 21 6 0 -1.196635 -0.848483 -0.629559 22 1 0 -2.846286 2.562378 0.050746 23 8 0 -4.438486 0.395359 0.257835 24 8 0 -3.262134 -1.934717 -0.269211 25 1 0 -0.743688 -1.798717 -0.834367 26 1 0 -0.468821 2.453660 -0.524068 27 6 0 -5.155227 1.581557 0.476039 28 6 0 -3.456618 -2.495431 1.010565 29 1 0 -6.171091 1.281263 0.680026 30 1 0 -5.138092 2.216438 -0.402288 31 1 0 -4.764172 2.127197 1.327470 32 1 0 -4.069832 -3.373701 0.872151 33 1 0 -3.966060 -1.800543 1.666190 34 1 0 -2.507476 -2.781179 1.450924 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6166437 0.1844771 0.1695513 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.2351501380 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.55D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999992 -0.003987 0.000131 -0.000639 Ang= -0.46 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.62364609 A.U. after 12 cycles NFock= 12 Conv=0.48D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000017983 0.000314086 0.000146901 2 1 0.000025845 0.000040650 -0.000012330 3 1 0.000047167 -0.000073342 0.000055685 4 1 -0.000027288 -0.000074351 -0.000066019 5 8 -0.000083939 -0.000354589 -0.000296615 6 15 -0.000126678 -0.000027493 -0.000305955 7 16 0.000481783 0.000306271 0.000002169 8 8 0.000093579 -0.000106129 0.000031457 9 8 0.000237871 0.000360981 0.000512407 10 6 -0.000085322 -0.000271648 -0.000211798 11 1 -0.000077443 0.000079605 0.000071499 12 1 -0.000067477 -0.000028305 -0.000081560 13 1 0.000097459 0.000100547 0.000014666 14 8 -0.000267344 -0.000103658 0.000125977 15 6 -0.000047322 -0.000140774 -0.000171833 16 8 -0.000035233 -0.000082312 0.000043827 17 6 0.000077305 0.000118651 0.000040084 18 6 -0.000014943 0.000026730 0.000009747 19 6 -0.000871423 -0.000807735 0.001027862 20 6 0.000338023 0.000057817 -0.000158950 21 6 -0.000173469 0.000043675 0.000022224 22 1 -0.000000959 -0.000017503 0.000022084 23 8 0.000431171 0.000871560 -0.000888330 24 8 -0.000005489 -0.000223166 -0.000224054 25 1 -0.000016792 -0.000010900 0.000023297 26 1 0.000047285 0.000019960 -0.000009344 27 6 -0.000015977 -0.000016267 0.000087157 28 6 -0.000013468 -0.000044405 0.000101291 29 1 0.000004807 0.000026193 -0.000027560 30 1 -0.000008721 0.000042172 -0.000001515 31 1 -0.000001174 -0.000006516 -0.000016444 32 1 0.000026426 0.000000966 0.000211831 33 1 0.000112343 -0.000017622 -0.000026556 34 1 -0.000062623 -0.000003149 -0.000051299 ------------------------------------------------------------------- Cartesian Forces: Max 0.001027862 RMS 0.000246588 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001290851 RMS 0.000175624 Search for a local minimum. Step number 20 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 16 17 18 19 20 DE= -8.24D-05 DEPred=-3.46D-05 R= 2.38D+00 TightC=F SS= 1.41D+00 RLast= 1.35D-01 DXNew= 5.0454D+00 4.0629D-01 Trust test= 2.38D+00 RLast= 1.35D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 0 Eigenvalues --- 0.00212 0.00454 0.00639 0.00839 0.01060 Eigenvalues --- 0.01579 0.01825 0.01932 0.01998 0.02088 Eigenvalues --- 0.02516 0.02686 0.02747 0.02760 0.02847 Eigenvalues --- 0.02986 0.03564 0.04391 0.05014 0.09857 Eigenvalues --- 0.10008 0.10128 0.10257 0.10452 0.10501 Eigenvalues --- 0.10548 0.10582 0.10910 0.11041 0.11382 Eigenvalues --- 0.11851 0.13586 0.15746 0.15852 0.15965 Eigenvalues --- 0.15991 0.15997 0.16006 0.16006 0.16012 Eigenvalues --- 0.16049 0.16054 0.16121 0.16220 0.16263 Eigenvalues --- 0.16391 0.16839 0.18587 0.19385 0.21249 Eigenvalues --- 0.22233 0.22594 0.23088 0.24107 0.24623 Eigenvalues --- 0.24956 0.25323 0.25600 0.25928 0.27365 Eigenvalues --- 0.30182 0.32714 0.33423 0.33460 0.33492 Eigenvalues --- 0.33585 0.33767 0.34154 0.34406 0.34800 Eigenvalues --- 0.34842 0.34891 0.34906 0.34948 0.35444 Eigenvalues --- 0.36943 0.38645 0.39005 0.39327 0.39977 Eigenvalues --- 0.40558 0.42717 0.45103 0.45321 0.47627 Eigenvalues --- 0.47960 0.49316 0.52759 0.53774 0.59421 Eigenvalues --- 0.61171 0.70403 0.73289 0.83379 0.87433 Eigenvalues --- 1.29539 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 20 19 18 17 16 RFO step: Lambda=-6.05746328D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.40726 0.88966 -1.22890 -0.42875 0.36072 Iteration 1 RMS(Cart)= 0.02035871 RMS(Int)= 0.00036983 Iteration 2 RMS(Cart)= 0.00039111 RMS(Int)= 0.00000301 Iteration 3 RMS(Cart)= 0.00000014 RMS(Int)= 0.00000300 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03655 0.00000 -0.00036 0.00024 -0.00013 2.03643 R2 2.03640 -0.00001 0.00019 -0.00004 0.00015 2.03655 R3 2.03774 0.00005 -0.00019 0.00023 0.00004 2.03778 R4 2.70643 0.00004 -0.00105 0.00017 -0.00088 2.70556 R5 2.94300 0.00006 -0.00328 0.00227 -0.00101 2.94198 R6 4.04713 0.00010 0.00674 -0.00362 0.00311 4.05025 R7 2.73364 0.00007 0.00046 -0.00021 0.00025 2.73389 R8 2.95859 0.00005 -0.00057 0.00064 0.00007 2.95866 R9 2.72582 0.00022 0.00273 -0.00204 0.00069 2.72651 R10 3.31686 -0.00010 -0.00419 0.00131 -0.00289 3.31398 R11 2.72448 0.00003 0.00105 -0.00089 0.00017 2.72465 R12 2.71399 -0.00009 0.00201 -0.00117 0.00084 2.71483 R13 2.03636 0.00002 -0.00027 0.00029 0.00002 2.03638 R14 2.03638 -0.00000 -0.00005 0.00000 -0.00005 2.03633 R15 2.03893 -0.00003 0.00024 -0.00024 0.00001 2.03894 R16 2.60587 -0.00007 0.00065 -0.00067 -0.00002 2.60585 R17 2.63594 -0.00021 0.00313 -0.00162 0.00152 2.63746 R18 2.62167 -0.00017 0.00268 -0.00162 0.00106 2.62273 R19 2.02690 -0.00004 -0.00008 0.00007 -0.00002 2.02688 R20 2.62072 -0.00004 0.00033 -0.00047 -0.00013 2.62058 R21 2.02545 -0.00002 0.00011 -0.00006 0.00004 2.02549 R22 2.65803 0.00038 0.00112 -0.00036 0.00077 2.65880 R23 2.52276 0.00129 -0.00088 0.00045 -0.00042 2.52234 R24 2.59012 0.00002 -0.00056 -0.00006 -0.00063 2.58950 R25 2.55947 0.00009 0.00013 -0.00030 -0.00016 2.55931 R26 2.02655 0.00001 -0.00051 0.00043 -0.00008 2.02647 R27 2.65128 0.00003 -0.00067 0.00054 -0.00013 2.65114 R28 2.66582 -0.00017 0.00307 -0.00235 0.00072 2.66654 R29 2.03860 0.00003 -0.00038 0.00026 -0.00012 2.03848 R30 2.04826 0.00003 -0.00003 0.00000 -0.00003 2.04823 R31 2.04892 0.00001 -0.00003 -0.00000 -0.00003 2.04889 R32 2.04103 -0.00002 -0.00020 0.00009 -0.00012 2.04091 R33 2.04601 -0.00004 -0.00031 0.00022 -0.00009 2.04592 R34 2.04967 0.00002 -0.00128 0.00086 -0.00042 2.04925 A1 1.93119 0.00005 -0.00137 0.00031 -0.00106 1.93013 A2 1.92472 0.00000 0.00087 -0.00063 0.00024 1.92497 A3 1.84329 -0.00003 0.00026 -0.00012 0.00013 1.84343 A4 1.93323 0.00002 0.00085 -0.00050 0.00035 1.93357 A5 1.91418 0.00001 0.00082 0.00019 0.00101 1.91519 A6 1.91519 -0.00005 -0.00148 0.00080 -0.00068 1.91451 A7 2.21844 -0.00010 0.00682 -0.00535 0.00147 2.21991 A8 1.81574 0.00000 -0.00309 0.00054 -0.00256 1.81318 A9 2.03542 -0.00001 -0.00052 0.00108 0.00057 2.03599 A10 1.81841 0.00009 0.00107 -0.00044 0.00063 1.81904 A11 1.92733 0.00013 0.00131 0.00053 0.00184 1.92917 A12 1.77533 -0.00026 0.00144 -0.00202 -0.00058 1.77475 A13 2.05946 0.00002 -0.00035 -0.00003 -0.00037 2.05909 A14 1.87444 -0.00013 -0.00190 0.00002 -0.00189 1.87256 A15 1.84650 -0.00005 -0.00159 0.00158 -0.00001 1.84648 A16 1.83254 -0.00010 0.00365 -0.00219 0.00145 1.83399 A17 1.89229 0.00010 0.00272 -0.00186 0.00088 1.89316 A18 2.09978 -0.00001 -0.00494 0.00340 -0.00153 2.09825 A19 1.90213 0.00015 0.00218 -0.00100 0.00118 1.90331 A20 2.14982 0.00005 0.00065 -0.00070 -0.00005 2.14977 A21 1.91366 -0.00014 -0.00301 0.00067 -0.00234 1.91132 A22 1.84512 -0.00007 -0.00106 0.00104 -0.00002 1.84510 A23 1.91077 0.00007 0.00081 0.00034 0.00115 1.91192 A24 1.92899 0.00006 0.00280 -0.00141 0.00139 1.93037 A25 1.93437 0.00002 0.00054 -0.00068 -0.00014 1.93423 A26 1.92883 0.00005 -0.00019 0.00013 -0.00005 1.92878 A27 2.08913 0.00001 -0.00260 0.00205 -0.00055 2.08858 A28 2.08603 -0.00007 0.00225 -0.00153 0.00072 2.08675 A29 2.10789 0.00006 0.00031 -0.00051 -0.00020 2.10769 A30 2.08722 -0.00000 0.00016 -0.00002 0.00014 2.08736 A31 2.09753 0.00002 -0.00243 0.00159 -0.00084 2.09669 A32 2.09832 -0.00001 0.00228 -0.00157 0.00070 2.09903 A33 2.09775 0.00003 -0.00037 0.00034 -0.00003 2.09772 A34 2.07850 -0.00003 0.00005 -0.00022 -0.00018 2.07832 A35 2.10693 0.00001 0.00034 -0.00012 0.00021 2.10714 A36 2.08939 0.00005 -0.00060 0.00038 -0.00022 2.08917 A37 2.17351 -0.00036 0.00035 -0.00027 0.00007 2.17358 A38 2.02028 0.00031 0.00027 -0.00011 0.00015 2.02043 A39 2.09301 -0.00028 0.00221 -0.00166 0.00056 2.09357 A40 2.09311 0.00082 -0.00273 0.00204 -0.00070 2.09241 A41 2.09644 -0.00055 0.00060 -0.00045 0.00014 2.09658 A42 2.09108 0.00015 -0.00172 0.00148 -0.00025 2.09084 A43 2.11121 -0.00011 0.00073 -0.00080 -0.00007 2.11114 A44 2.08083 -0.00005 0.00100 -0.00068 0.00032 2.08115 A45 2.09759 -0.00008 0.00116 -0.00092 0.00023 2.09783 A46 2.01752 0.00066 -0.00129 0.00113 -0.00016 2.01736 A47 1.84952 0.00002 0.00016 -0.00012 0.00003 1.84955 A48 1.94027 0.00005 -0.00002 -0.00012 -0.00015 1.94012 A49 1.94267 -0.00002 -0.00032 0.00024 -0.00008 1.94259 A50 1.90833 -0.00003 0.00036 -0.00012 0.00024 1.90857 A51 1.90841 -0.00002 0.00010 -0.00008 0.00002 1.90843 A52 1.91333 -0.00000 -0.00025 0.00019 -0.00006 1.91327 A53 1.86004 -0.00033 0.00113 -0.00165 -0.00051 1.85953 A54 1.93812 0.00014 -0.00234 0.00194 -0.00039 1.93772 A55 1.93092 0.00009 -0.00116 0.00092 -0.00024 1.93068 A56 1.90959 0.00006 -0.00047 0.00055 0.00008 1.90968 A57 1.91201 0.00004 0.00057 -0.00009 0.00048 1.91250 A58 1.91239 -0.00001 0.00223 -0.00166 0.00056 1.91295 D1 -3.02849 -0.00012 -0.03258 -0.00050 -0.03308 -3.06156 D2 1.17322 -0.00017 -0.03153 -0.00089 -0.03242 1.14080 D3 -0.95413 -0.00016 -0.03216 -0.00090 -0.03307 -0.98720 D4 -1.42006 0.00020 -0.02037 0.00416 -0.01621 -1.43627 D5 2.73642 0.00004 -0.01941 0.00243 -0.01699 2.71943 D6 0.43363 -0.00005 -0.01950 0.00200 -0.01749 0.41614 D7 0.60206 0.00011 0.00459 -0.00198 0.00261 0.60467 D8 -1.41630 0.00008 0.00311 -0.00062 0.00249 -1.41381 D9 2.85626 -0.00003 -0.00025 0.00078 0.00053 2.85679 D10 2.79893 0.00017 0.00274 -0.00001 0.00272 2.80166 D11 0.78058 0.00014 0.00125 0.00134 0.00260 0.78317 D12 -1.23005 0.00003 -0.00210 0.00275 0.00064 -1.22941 D13 -1.28378 0.00010 0.00389 -0.00100 0.00289 -1.28090 D14 2.98104 0.00007 0.00240 0.00035 0.00277 2.98381 D15 0.97042 -0.00005 -0.00095 0.00176 0.00081 0.97123 D16 2.86109 0.00002 -0.00840 0.00368 -0.00473 2.85636 D17 -1.53832 -0.00003 -0.01093 0.00345 -0.00748 -1.54580 D18 0.57232 -0.00006 -0.00840 0.00260 -0.00580 0.56651 D19 1.70763 0.00007 0.00582 0.00172 0.00754 1.71518 D20 -1.41608 0.00003 0.00872 0.00054 0.00926 -1.40682 D21 -0.29852 0.00019 0.00755 0.00177 0.00931 -0.28921 D22 2.86095 0.00016 0.01044 0.00059 0.01103 2.87197 D23 -2.61310 0.00001 0.01020 -0.00047 0.00973 -2.60337 D24 0.54637 -0.00003 0.01310 -0.00165 0.01145 0.55782 D25 1.16009 0.00022 0.04597 0.00294 0.04890 1.20900 D26 -3.04346 0.00018 0.04710 0.00221 0.04931 -2.99415 D27 -0.96551 0.00024 0.04671 0.00313 0.04984 -0.91567 D28 -3.12876 -0.00003 0.00176 -0.00069 0.00106 -3.12770 D29 0.02918 -0.00001 0.00137 -0.00050 0.00086 0.03004 D30 -0.00527 0.00000 -0.00116 0.00049 -0.00067 -0.00594 D31 -3.13052 0.00003 -0.00155 0.00068 -0.00086 -3.13138 D32 3.12309 0.00002 -0.00223 0.00046 -0.00178 3.12131 D33 -0.03068 0.00002 -0.00140 0.00000 -0.00141 -0.03209 D34 -0.00043 -0.00001 0.00072 -0.00076 -0.00004 -0.00047 D35 3.12899 -0.00002 0.00154 -0.00122 0.00033 3.12932 D36 0.00766 0.00000 0.00194 -0.00097 0.00096 0.00862 D37 -3.13010 0.00003 -0.00010 0.00038 0.00028 -3.12982 D38 3.13289 -0.00002 0.00227 -0.00113 0.00114 3.13404 D39 -0.00486 0.00000 0.00024 0.00022 0.00046 -0.00440 D40 -0.00439 0.00000 -0.00225 0.00170 -0.00055 -0.00494 D41 3.13564 0.00007 -0.00338 0.00236 -0.00102 3.13462 D42 3.13330 -0.00002 -0.00018 0.00033 0.00014 3.13344 D43 -0.00985 0.00004 -0.00131 0.00098 -0.00033 -0.01018 D44 -0.00133 -0.00001 0.00179 -0.00196 -0.00017 -0.00150 D45 -3.10493 0.00007 -0.00060 0.00039 -0.00020 -3.10513 D46 -3.14150 -0.00007 0.00282 -0.00256 0.00026 -3.14123 D47 0.03809 0.00001 0.00044 -0.00021 0.00023 0.03832 D48 0.04550 -0.00001 0.00653 -0.00054 0.00600 0.05150 D49 -3.09759 0.00006 0.00544 0.00010 0.00554 -3.09205 D50 0.00372 0.00002 -0.00102 0.00148 0.00046 0.00419 D51 -3.12591 0.00003 -0.00182 0.00193 0.00010 -3.12581 D52 3.10724 -0.00004 0.00129 -0.00081 0.00048 3.10772 D53 -0.02239 -0.00003 0.00048 -0.00037 0.00011 -0.02227 D54 -1.45755 -0.00015 -0.00324 0.00065 -0.00259 -1.46014 D55 1.72212 -0.00007 -0.00566 0.00303 -0.00263 1.71948 D56 3.11560 0.00001 -0.00381 0.00024 -0.00358 3.11203 D57 1.04392 0.00000 -0.00433 0.00052 -0.00381 1.04011 D58 -1.09451 -0.00001 -0.00377 0.00020 -0.00357 -1.09809 D59 3.12267 0.00019 -0.00545 0.00406 -0.00140 3.12128 D60 1.04432 0.00023 -0.00430 0.00332 -0.00097 1.04335 D61 -1.08321 0.00009 -0.00472 0.00347 -0.00125 -1.08447 Item Value Threshold Converged? Maximum Force 0.001291 0.000450 NO RMS Force 0.000176 0.000300 YES Maximum Displacement 0.103113 0.001800 NO RMS Displacement 0.020389 0.001200 NO Predicted change in Energy=-2.808778D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.641147 -0.605933 -1.207968 2 1 0 -0.106035 -0.288456 -1.916641 3 1 0 0.703926 0.088927 -0.386594 4 1 0 0.420952 -1.599870 -0.852388 5 8 0 1.877773 -0.614546 -1.929426 6 15 0 3.266398 -1.090742 -1.411084 7 16 0 4.015674 0.596892 -0.322873 8 8 0 4.221980 -1.514566 -2.411190 9 8 0 2.923715 -2.087715 -0.253551 10 6 0 3.872532 -3.021755 0.286085 11 1 0 4.633539 -2.487546 0.830810 12 1 0 3.310063 -3.659892 0.947591 13 1 0 4.307752 -3.598001 -0.515588 14 8 0 2.885416 1.240830 0.301273 15 6 0 4.679705 1.684951 -1.527276 16 8 0 5.090735 0.075587 0.484179 17 6 0 3.927742 2.751992 -1.971680 18 6 0 4.448211 3.602579 -2.937003 19 6 0 5.712687 3.374617 -3.458748 20 6 0 6.468840 2.280049 -3.000783 21 6 0 5.954882 1.446654 -2.042122 22 1 0 3.860938 4.435681 -3.268521 23 8 0 6.293380 4.130593 -4.393037 24 8 0 7.720657 2.078285 -3.476647 25 1 0 6.546853 0.624394 -1.690803 26 1 0 2.952688 2.931163 -1.562296 27 6 0 5.647405 5.279876 -4.872685 28 6 0 7.801931 1.387144 -4.704182 29 1 0 6.323758 5.724852 -5.585546 30 1 0 5.455714 5.984155 -4.071410 31 1 0 4.716116 5.030269 -5.368607 32 1 0 8.850868 1.326589 -4.954132 33 1 0 7.275905 1.920541 -5.485799 34 1 0 7.393150 0.387403 -4.607357 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077632 0.000000 3 H 1.077695 1.771863 0.000000 4 H 1.078347 1.769224 1.774563 0.000000 5 O 1.431719 2.010470 2.062309 2.062329 0.000000 6 P 2.677356 3.503221 3.001243 2.944133 1.556831 7 S 3.690205 4.506930 3.351084 4.245960 2.935850 8 O 3.885321 4.525443 4.364273 4.109131 2.556842 9 O 2.883870 3.896484 3.111741 2.619241 2.464301 10 C 4.302352 5.305838 4.490980 3.902728 3.831737 11 H 4.861715 5.903224 4.854086 4.622447 4.326810 12 H 4.593061 5.589288 4.756643 3.978767 4.427507 13 H 4.782870 5.691885 5.157290 4.383284 4.099359 14 O 3.274918 4.025747 2.561043 3.933713 3.071446 15 C 4.654036 5.191266 4.433426 5.420562 3.646948 16 O 4.809019 5.736103 4.472418 5.138136 4.077364 17 C 4.760317 5.051604 4.471845 5.699920 3.941793 18 C 5.932527 6.076384 5.733237 6.901442 5.040487 19 C 6.828712 7.046540 6.732131 7.716288 5.740977 20 C 6.745746 7.141538 6.698451 7.499755 5.532124 21 C 5.757144 6.305637 5.670691 6.428153 4.569908 22 H 6.326990 6.315214 6.096433 7.355207 5.588462 23 O 8.032875 8.161682 7.976757 8.936432 6.934213 24 O 7.903884 8.324193 7.920889 8.584943 6.616988 25 H 6.051793 6.719019 6.010614 6.570917 4.836551 26 H 4.240262 4.455030 3.810185 5.238694 3.723208 27 C 8.551931 8.535022 8.456297 9.529402 7.590594 28 C 8.214176 8.550669 8.408841 8.845192 6.841176 29 H 9.567345 9.537451 9.506590 10.530786 8.562824 30 H 8.649198 8.655734 8.420871 9.655484 7.805935 31 H 8.104509 7.966056 8.083006 9.099638 7.193615 32 H 9.228646 9.594834 9.421618 9.820996 7.844802 33 H 8.288722 8.491854 8.517488 8.991783 6.943651 34 H 7.624441 7.995906 7.915153 8.164594 6.212456 6 7 8 9 10 6 P 0.000000 7 S 2.143297 0.000000 8 O 1.446712 2.976891 0.000000 9 O 1.565653 2.899015 2.582518 0.000000 10 C 2.641324 3.672319 3.109506 1.436625 0.000000 11 H 2.974261 3.350597 3.409785 2.063783 1.077607 12 H 3.487949 4.498019 4.088451 2.015874 1.077581 13 H 2.858790 4.209462 2.818043 2.065232 1.078959 14 O 2.917797 1.442809 4.090974 3.374686 4.375416 15 C 3.116954 1.753681 3.350779 4.351882 5.108120 16 O 2.877594 1.441821 3.415623 3.149618 3.334185 17 C 3.939320 2.714913 4.299216 5.232857 6.199734 18 C 5.074679 4.006859 5.149061 6.473364 7.389283 19 C 5.487868 4.519881 5.217633 6.920168 7.636984 20 C 4.913758 4.002780 4.449169 6.260396 6.756734 21 C 3.750271 2.727351 3.450794 4.987857 5.451918 22 H 5.860452 4.841187 6.022524 7.247284 8.261278 23 O 6.731790 5.851600 6.331369 8.194958 8.883174 24 O 5.843775 5.086031 5.126842 7.124223 7.414623 25 H 3.712320 2.877300 3.240238 4.748511 4.935027 26 H 4.036954 2.848672 4.700662 5.186790 6.300783 27 C 7.631294 6.730058 7.365815 9.112425 9.933789 28 C 6.128252 5.844323 5.147211 7.461887 7.731839 29 H 8.557213 7.701880 8.179436 10.051202 10.816085 30 H 7.869219 6.719215 7.778768 9.281279 10.129198 31 H 7.431719 6.753139 7.198982 8.946630 9.875336 32 H 7.041519 6.734993 5.997109 8.299643 8.435153 33 H 6.461213 6.247956 5.529885 7.898360 8.326096 34 H 5.425049 5.459674 4.300809 6.712502 6.925525 11 12 13 14 15 11 H 0.000000 12 H 1.771898 0.000000 13 H 1.775396 1.772034 0.000000 14 O 4.151763 4.961364 5.109264 0.000000 15 C 4.792957 6.047167 5.391793 2.600059 0.000000 16 O 2.626563 4.164055 3.886881 2.500935 2.608629 17 C 5.983716 7.072194 6.525873 2.921706 1.378956 18 C 7.163825 8.314382 7.598114 4.301932 2.391280 19 C 7.343693 8.641340 7.697625 5.165682 2.766335 20 C 6.385876 7.800669 6.737802 4.982417 2.392984 21 C 5.047536 6.481533 5.521946 3.867232 1.395682 22 H 8.082852 9.144253 8.504018 4.888982 3.356908 23 O 8.593219 9.905259 8.871781 6.480856 4.098500 24 O 6.995091 8.482564 7.255068 6.193025 3.633476 25 H 4.438860 5.982729 4.921720 4.213606 2.153547 26 H 6.157485 7.061817 6.749946 2.516871 2.129990 27 C 9.689718 10.920542 9.979763 7.121258 5.005167 28 C 7.462444 8.808632 7.389539 7.017700 4.464271 29 H 10.557933 11.825297 10.802052 8.159858 5.957622 30 H 9.822294 11.081599 10.284911 6.944489 5.055489 31 H 9.744595 10.834678 9.907855 7.061080 5.093948 32 H 8.111661 9.507674 8.036925 7.950676 5.410210 33 H 8.143272 9.394554 7.997952 7.295793 4.739795 34 H 6.741992 7.994351 6.491972 6.718828 4.305034 16 17 18 19 20 16 O 0.000000 17 C 3.814045 0.000000 18 C 4.955501 1.387889 0.000000 19 C 5.178523 2.405216 1.386754 0.000000 20 C 4.347849 2.781900 2.415801 1.406975 0.000000 21 C 3.001461 2.412088 2.778288 2.404689 1.370304 22 H 5.882650 2.126280 1.071845 2.142666 3.394051 23 O 6.455746 3.655100 2.409042 1.334765 2.322427 24 O 5.159014 4.135821 3.650149 2.390134 1.354326 25 H 2.674325 3.386046 3.850571 3.374194 2.112659 26 H 4.112617 1.072580 2.139441 3.377985 3.854416 27 C 7.489359 4.214650 2.828119 2.373498 3.630115 28 C 5.999154 4.933429 4.390730 3.141034 2.340081 29 H 8.383083 5.257263 3.877692 3.228045 4.309142 30 H 7.469791 4.146136 2.823800 2.692782 3.986611 31 H 7.677520 4.165477 2.832449 2.716965 4.030178 32 H 6.728955 5.929921 5.350919 4.034696 3.224704 33 H 6.619626 4.924483 4.161906 2.943963 2.637404 34 H 5.596613 4.954506 4.669058 3.614789 2.649063 21 22 23 24 25 21 C 0.000000 22 H 3.850057 0.000000 23 O 3.583980 2.697108 0.000000 24 O 2.361097 4.527478 2.662491 0.000000 25 H 1.072364 4.922320 4.433931 2.584734 0.000000 26 H 3.383367 2.449428 4.540039 5.208231 4.272671 27 C 4.774958 2.545088 1.402925 4.061709 5.710244 28 C 3.240632 5.185183 3.146275 1.411072 3.352232 29 H 5.567306 3.618846 1.991146 4.438043 6.421328 30 H 4.995608 2.363412 2.059325 4.554067 5.965309 31 H 5.044040 2.344190 2.061290 4.617465 6.024082 32 H 4.108644 6.116137 3.836406 2.006337 4.055969 33 H 3.718680 4.785838 2.654018 2.063826 4.075967 34 H 3.125869 5.536926 3.907287 2.060303 3.046091 26 27 28 29 30 26 H 0.000000 27 C 4.872025 0.000000 28 C 5.980853 4.452386 0.000000 29 H 5.946036 1.078715 4.666637 0.000000 30 H 4.677772 1.083879 5.199773 1.764467 0.000000 31 H 4.690835 1.084224 4.820380 1.764659 1.771899 32 H 6.990546 5.088938 1.080005 5.111720 5.830882 33 H 5.924984 3.783260 1.082654 3.922921 4.671889 34 H 5.954898 5.201376 1.084416 5.530715 5.946808 31 32 33 34 31 H 0.000000 32 H 5.566435 0.000000 33 H 4.029473 1.765208 0.000000 34 H 5.413151 1.768408 1.770852 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.332728 2.128948 1.316205 2 1 0 3.124182 2.868403 2.071855 3 1 0 3.238190 2.556357 0.331415 4 1 0 4.317654 1.714288 1.460464 5 8 0 2.347448 1.105807 1.495719 6 15 0 2.246545 -0.247699 0.733119 7 16 0 1.252386 0.264818 -1.095186 8 8 0 1.548876 -1.321482 1.406339 9 8 0 3.706042 -0.518511 0.235325 10 6 0 4.155919 -1.805400 -0.217907 11 1 0 3.680507 -2.043236 -1.155273 12 1 0 5.221910 -1.713497 -0.345969 13 1 0 3.927626 -2.550862 0.527963 14 8 0 1.691976 1.588065 -1.465964 15 6 0 -0.456083 0.335661 -0.705942 16 8 0 1.488436 -0.851774 -1.976293 17 6 0 -1.048729 1.555037 -0.454127 18 6 0 -2.397193 1.607882 -0.129952 19 6 0 -3.141421 0.440501 -0.049757 20 6 0 -2.524767 -0.798230 -0.304432 21 6 0 -1.194960 -0.846062 -0.631629 22 1 0 -2.851902 2.561006 0.053478 23 8 0 -4.438382 0.389791 0.261564 24 8 0 -3.257365 -1.936751 -0.268773 25 1 0 -0.740017 -1.795014 -0.837737 26 1 0 -0.473587 2.457731 -0.523276 27 6 0 -5.159627 1.574027 0.475082 28 6 0 -3.445929 -2.500243 1.011088 29 1 0 -6.174683 1.270794 0.678400 30 1 0 -5.143102 2.206308 -0.405113 31 1 0 -4.771774 2.123540 1.325462 32 1 0 -4.059115 -3.378522 0.873102 33 1 0 -3.953359 -1.806889 1.669811 34 1 0 -2.494737 -2.785905 1.446506 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6161957 0.1844652 0.1696476 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.0682497707 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.56D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999995 -0.002990 0.000097 -0.000499 Ang= -0.35 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.62367773 A.U. after 11 cycles NFock= 11 Conv=0.76D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000040196 0.000440120 0.000426901 2 1 -0.000004626 0.000002526 -0.000047938 3 1 0.000040611 -0.000083317 0.000049399 4 1 -0.000023219 -0.000099693 -0.000047132 5 8 -0.000343384 -0.000365577 -0.000776808 6 15 0.000470835 0.000466591 0.000318011 7 16 -0.000300208 -0.000682101 0.000806213 8 8 0.000066143 -0.000022341 0.000097518 9 8 0.000314777 0.000019019 0.000357845 10 6 -0.000292808 0.000034811 -0.000305361 11 1 -0.000038174 0.000072611 0.000089323 12 1 -0.000019587 -0.000020415 -0.000008073 13 1 0.000067832 0.000115784 0.000035598 14 8 0.000052656 -0.000128999 -0.000223977 15 6 0.000472798 0.000350452 -0.000910488 16 8 -0.000010049 -0.000168655 -0.000288456 17 6 0.000340583 0.000217841 -0.000153398 18 6 -0.000127088 -0.000196698 0.000235079 19 6 -0.001086285 -0.000978347 0.001267668 20 6 0.000394253 0.000226146 -0.000329087 21 6 -0.000764977 0.000142704 0.000331628 22 1 0.000014140 -0.000027360 0.000014750 23 8 0.000613431 0.000854707 -0.000906467 24 8 0.000081872 -0.000362978 -0.000411759 25 1 0.000022624 -0.000032045 0.000026323 26 1 0.000048327 0.000089632 -0.000064700 27 6 -0.000112312 -0.000032956 0.000108530 28 6 0.000050472 0.000269665 0.000387936 29 1 0.000029505 0.000048811 -0.000054446 30 1 -0.000003195 0.000061133 -0.000005574 31 1 -0.000014259 0.000001758 -0.000031544 32 1 0.000053179 -0.000048998 0.000165943 33 1 0.000080296 -0.000040556 -0.000073710 34 1 -0.000114361 -0.000123272 -0.000079744 ------------------------------------------------------------------- Cartesian Forces: Max 0.001267668 RMS 0.000349896 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001374558 RMS 0.000224830 Search for a local minimum. Step number 21 out of a maximum of 163 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 17 18 19 20 21 DE= -3.16D-05 DEPred=-2.81D-05 R= 1.13D+00 TightC=F SS= 1.41D+00 RLast= 1.11D-01 DXNew= 5.0454D+00 3.3326D-01 Trust test= 1.13D+00 RLast= 1.11D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 1 ITU= 0 Eigenvalues --- 0.00189 0.00416 0.00635 0.00839 0.00927 Eigenvalues --- 0.01589 0.01835 0.01939 0.01989 0.02084 Eigenvalues --- 0.02516 0.02688 0.02749 0.02760 0.02837 Eigenvalues --- 0.02976 0.03552 0.04393 0.05016 0.09858 Eigenvalues --- 0.10019 0.10141 0.10245 0.10452 0.10498 Eigenvalues --- 0.10553 0.10585 0.10911 0.11050 0.11374 Eigenvalues --- 0.11941 0.13587 0.15742 0.15848 0.15966 Eigenvalues --- 0.15988 0.15998 0.16005 0.16006 0.16013 Eigenvalues --- 0.16049 0.16054 0.16140 0.16222 0.16260 Eigenvalues --- 0.16380 0.16753 0.18598 0.19399 0.21134 Eigenvalues --- 0.22219 0.22837 0.23219 0.24100 0.24612 Eigenvalues --- 0.24956 0.25321 0.25578 0.26006 0.27667 Eigenvalues --- 0.30239 0.32534 0.33456 0.33470 0.33500 Eigenvalues --- 0.33601 0.33765 0.34138 0.34758 0.34808 Eigenvalues --- 0.34842 0.34894 0.34910 0.35118 0.35554 Eigenvalues --- 0.37047 0.38660 0.38973 0.39349 0.39967 Eigenvalues --- 0.40551 0.42955 0.45176 0.45323 0.47588 Eigenvalues --- 0.48112 0.49642 0.52820 0.55281 0.59479 Eigenvalues --- 0.63399 0.70686 0.73257 0.80791 0.87447 Eigenvalues --- 1.27896 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 21 20 19 18 17 16 RFO step: Lambda=-3.33294646D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.52395 -0.68236 0.92279 -0.78161 -0.23110 RFO-DIIS coefs: 0.24833 Iteration 1 RMS(Cart)= 0.01148160 RMS(Int)= 0.00010858 Iteration 2 RMS(Cart)= 0.00011418 RMS(Int)= 0.00000182 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00000182 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03643 0.00004 -0.00022 0.00018 -0.00004 2.03639 R2 2.03655 -0.00001 0.00006 -0.00007 -0.00000 2.03654 R3 2.03778 0.00008 -0.00008 0.00020 0.00012 2.03790 R4 2.70556 0.00015 -0.00050 0.00029 -0.00021 2.70534 R5 2.94198 0.00036 -0.00195 0.00167 -0.00028 2.94171 R6 4.05025 -0.00063 0.00427 -0.00307 0.00119 4.05144 R7 2.73389 -0.00002 0.00030 -0.00019 0.00011 2.73400 R8 2.95866 -0.00002 -0.00035 0.00037 0.00002 2.95868 R9 2.72651 -0.00020 0.00180 -0.00156 0.00024 2.72675 R10 3.31398 0.00058 -0.00240 0.00139 -0.00102 3.31296 R11 2.72465 -0.00011 0.00060 -0.00061 -0.00001 2.72464 R12 2.71483 -0.00039 0.00110 -0.00085 0.00025 2.71507 R13 2.03638 0.00005 -0.00016 0.00018 0.00002 2.03641 R14 2.03633 0.00002 -0.00003 0.00002 -0.00002 2.03632 R15 2.03894 -0.00006 0.00013 -0.00020 -0.00007 2.03887 R16 2.60585 -0.00016 0.00042 -0.00043 -0.00002 2.60583 R17 2.63746 -0.00070 0.00174 -0.00139 0.00035 2.63780 R18 2.62273 -0.00057 0.00149 -0.00125 0.00024 2.62297 R19 2.02688 -0.00005 -0.00007 0.00003 -0.00004 2.02685 R20 2.62058 -0.00015 0.00026 -0.00042 -0.00016 2.62042 R21 2.02549 -0.00003 0.00003 -0.00003 0.00000 2.02549 R22 2.65880 0.00021 0.00074 -0.00054 0.00020 2.65900 R23 2.52234 0.00137 0.00020 0.00044 0.00064 2.52298 R24 2.58950 0.00010 -0.00023 0.00009 -0.00014 2.58936 R25 2.55931 0.00019 -0.00003 -0.00005 -0.00008 2.55923 R26 2.02647 0.00005 -0.00028 0.00029 0.00001 2.02648 R27 2.65114 0.00010 -0.00035 0.00027 -0.00008 2.65106 R28 2.66654 -0.00037 0.00158 -0.00145 0.00013 2.66667 R29 2.03848 0.00007 -0.00021 0.00021 0.00000 2.03848 R30 2.04823 0.00004 0.00001 -0.00001 0.00000 2.04824 R31 2.04889 0.00003 -0.00002 0.00002 -0.00000 2.04888 R32 2.04091 0.00002 -0.00018 0.00013 -0.00004 2.04087 R33 2.04592 -0.00001 -0.00013 0.00014 0.00001 2.04593 R34 2.04925 0.00015 -0.00077 0.00066 -0.00010 2.04915 A1 1.93013 0.00008 -0.00052 0.00024 -0.00028 1.92985 A2 1.92497 -0.00001 0.00050 -0.00048 0.00002 1.92499 A3 1.84343 -0.00003 0.00006 -0.00003 0.00004 1.84346 A4 1.93357 0.00001 0.00042 -0.00035 0.00007 1.93364 A5 1.91519 0.00002 0.00047 0.00021 0.00068 1.91587 A6 1.91451 -0.00007 -0.00096 0.00043 -0.00053 1.91398 A7 2.21991 -0.00063 0.00430 -0.00441 -0.00012 2.21979 A8 1.81318 0.00018 -0.00151 0.00073 -0.00078 1.81240 A9 2.03599 -0.00001 -0.00042 0.00072 0.00030 2.03630 A10 1.81904 0.00002 0.00065 -0.00052 0.00013 1.81917 A11 1.92917 0.00005 0.00099 0.00014 0.00113 1.93030 A12 1.77475 -0.00037 0.00039 -0.00128 -0.00090 1.77385 A13 2.05909 0.00009 -0.00019 0.00004 -0.00015 2.05894 A14 1.87256 -0.00004 -0.00141 0.00037 -0.00105 1.87151 A15 1.84648 0.00012 -0.00115 0.00126 0.00011 1.84659 A16 1.83399 -0.00030 0.00225 -0.00189 0.00036 1.83435 A17 1.89316 -0.00008 0.00184 -0.00160 0.00025 1.89341 A18 2.09825 0.00022 -0.00306 0.00265 -0.00040 2.09784 A19 1.90331 0.00008 0.00154 -0.00079 0.00074 1.90405 A20 2.14977 -0.00001 0.00036 -0.00015 0.00022 2.14999 A21 1.91132 -0.00012 -0.00198 0.00071 -0.00127 1.91005 A22 1.84510 0.00001 -0.00088 0.00114 0.00026 1.84536 A23 1.91192 0.00004 0.00053 0.00007 0.00059 1.91252 A24 1.93037 -0.00000 0.00172 -0.00113 0.00059 1.93096 A25 1.93423 0.00001 0.00040 -0.00062 -0.00021 1.93401 A26 1.92878 0.00006 0.00012 -0.00007 0.00005 1.92883 A27 2.08858 0.00018 -0.00152 0.00156 0.00004 2.08862 A28 2.08675 -0.00027 0.00130 -0.00119 0.00010 2.08686 A29 2.10769 0.00009 0.00020 -0.00035 -0.00015 2.10754 A30 2.08736 0.00001 0.00002 -0.00000 0.00002 2.08737 A31 2.09669 0.00010 -0.00139 0.00121 -0.00019 2.09650 A32 2.09903 -0.00011 0.00137 -0.00120 0.00017 2.09920 A33 2.09772 0.00002 -0.00019 0.00019 0.00000 2.09772 A34 2.07832 -0.00002 -0.00003 -0.00000 -0.00004 2.07828 A35 2.10714 -0.00000 0.00023 -0.00019 0.00004 2.10718 A36 2.08917 0.00010 -0.00023 0.00034 0.00011 2.08927 A37 2.17358 -0.00033 -0.00007 -0.00017 -0.00024 2.17334 A38 2.02043 0.00023 0.00031 -0.00017 0.00014 2.02057 A39 2.09357 -0.00043 0.00103 -0.00117 -0.00014 2.09343 A40 2.09241 0.00091 -0.00087 0.00132 0.00045 2.09286 A41 2.09658 -0.00048 -0.00016 -0.00014 -0.00029 2.09628 A42 2.09084 0.00021 -0.00084 0.00100 0.00017 2.09100 A43 2.11114 -0.00011 0.00023 -0.00047 -0.00024 2.11090 A44 2.08115 -0.00010 0.00061 -0.00053 0.00008 2.08123 A45 2.09783 -0.00016 0.00069 -0.00084 -0.00015 2.09767 A46 2.01736 0.00065 -0.00024 0.00102 0.00078 2.01814 A47 1.84955 0.00001 0.00010 -0.00008 0.00001 1.84957 A48 1.94012 0.00007 0.00023 -0.00020 0.00003 1.94015 A49 1.94259 0.00000 -0.00021 0.00013 -0.00008 1.94251 A50 1.90857 -0.00004 0.00011 -0.00005 0.00005 1.90863 A51 1.90843 -0.00003 -0.00005 0.00002 -0.00002 1.90841 A52 1.91327 -0.00001 -0.00015 0.00016 0.00001 1.91328 A53 1.85953 -0.00025 -0.00003 -0.00047 -0.00050 1.85903 A54 1.93772 0.00018 -0.00144 0.00137 -0.00006 1.93766 A55 1.93068 0.00011 -0.00039 0.00065 0.00026 1.93094 A56 1.90968 0.00004 -0.00006 0.00019 0.00014 1.90981 A57 1.91250 -0.00001 0.00040 -0.00032 0.00008 1.91257 A58 1.91295 -0.00007 0.00148 -0.00140 0.00008 1.91303 D1 -3.06156 -0.00005 -0.01832 -0.00030 -0.01862 -3.08018 D2 1.14080 -0.00014 -0.01798 -0.00068 -0.01867 1.12213 D3 -0.98720 -0.00012 -0.01819 -0.00066 -0.01885 -1.00604 D4 -1.43627 0.00035 -0.00872 0.00451 -0.00421 -1.44048 D5 2.71943 0.00016 -0.00860 0.00335 -0.00525 2.71418 D6 0.41614 0.00002 -0.00859 0.00319 -0.00540 0.41074 D7 0.60467 -0.00003 0.00532 -0.00182 0.00349 0.60816 D8 -1.41381 0.00002 0.00441 -0.00077 0.00364 -1.41017 D9 2.85679 0.00002 0.00218 0.00042 0.00260 2.85939 D10 2.80166 0.00011 0.00441 -0.00040 0.00401 2.80567 D11 0.78317 0.00016 0.00350 0.00066 0.00416 0.78734 D12 -1.22941 0.00016 0.00127 0.00185 0.00312 -1.22629 D13 -1.28090 0.00001 0.00494 -0.00106 0.00388 -1.27701 D14 2.98381 0.00006 0.00403 -0.00000 0.00403 2.98784 D15 0.97123 0.00006 0.00181 0.00118 0.00299 0.97421 D16 2.85636 0.00008 -0.00589 0.00373 -0.00216 2.85420 D17 -1.54580 0.00016 -0.00719 0.00393 -0.00326 -1.54906 D18 0.56651 -0.00000 -0.00575 0.00318 -0.00258 0.56394 D19 1.71518 0.00015 0.00280 0.00162 0.00442 1.71960 D20 -1.40682 0.00008 0.00396 0.00042 0.00438 -1.40244 D21 -0.28921 0.00018 0.00415 0.00131 0.00546 -0.28375 D22 2.87197 0.00011 0.00531 0.00012 0.00542 2.87739 D23 -2.60337 -0.00011 0.00551 -0.00030 0.00522 -2.59815 D24 0.55782 -0.00017 0.00667 -0.00149 0.00518 0.56300 D25 1.20900 0.00016 0.02606 0.00190 0.02795 1.23695 D26 -2.99415 0.00010 0.02656 0.00158 0.02813 -2.96601 D27 -0.91567 0.00020 0.02649 0.00216 0.02865 -0.88702 D28 -3.12770 -0.00005 0.00067 -0.00029 0.00037 -3.12734 D29 0.03004 -0.00003 0.00077 -0.00058 0.00019 0.03023 D30 -0.00594 0.00002 -0.00050 0.00091 0.00041 -0.00553 D31 -3.13138 0.00004 -0.00040 0.00063 0.00024 -3.13115 D32 3.12131 0.00006 -0.00105 0.00055 -0.00050 3.12081 D33 -0.03209 0.00003 -0.00090 0.00067 -0.00023 -0.03232 D34 -0.00047 -0.00001 0.00013 -0.00068 -0.00054 -0.00102 D35 3.12932 -0.00004 0.00028 -0.00056 -0.00028 3.12904 D36 0.00862 -0.00002 0.00124 -0.00120 0.00003 0.00865 D37 -3.12982 0.00002 0.00011 -0.00001 0.00010 -3.12971 D38 3.13404 -0.00004 0.00110 -0.00090 0.00020 3.13424 D39 -0.00440 0.00000 -0.00002 0.00030 0.00028 -0.00412 D40 -0.00494 0.00001 -0.00159 0.00126 -0.00034 -0.00527 D41 3.13462 0.00008 -0.00153 0.00195 0.00042 3.13504 D42 3.13344 -0.00002 -0.00045 0.00004 -0.00041 3.13303 D43 -0.01018 0.00004 -0.00038 0.00073 0.00035 -0.00984 D44 -0.00150 -0.00001 0.00122 -0.00102 0.00020 -0.00130 D45 -3.10513 0.00008 0.00116 -0.00138 -0.00022 -3.10535 D46 -3.14123 -0.00007 0.00116 -0.00165 -0.00049 3.14146 D47 0.03832 0.00001 0.00110 -0.00201 -0.00091 0.03741 D48 0.05150 -0.00004 0.00255 -0.00057 0.00198 0.05348 D49 -3.09205 0.00002 0.00261 0.00009 0.00271 -3.08935 D50 0.00419 0.00001 -0.00049 0.00072 0.00023 0.00442 D51 -3.12581 0.00003 -0.00064 0.00061 -0.00003 -3.12584 D52 3.10772 -0.00005 -0.00045 0.00112 0.00067 3.10839 D53 -0.02227 -0.00002 -0.00060 0.00101 0.00041 -0.02186 D54 -1.46014 -0.00013 -0.00427 0.00175 -0.00251 -1.46265 D55 1.71948 -0.00005 -0.00435 0.00141 -0.00294 1.71654 D56 3.11203 0.00001 -0.00148 0.00022 -0.00125 3.11077 D57 1.04011 0.00002 -0.00178 0.00044 -0.00134 1.03877 D58 -1.09809 -0.00002 -0.00159 0.00027 -0.00132 -1.09940 D59 3.12128 0.00021 0.00729 0.00256 0.00984 3.13112 D60 1.04335 0.00021 0.00816 0.00185 0.01002 1.05336 D61 -1.08447 0.00011 0.00753 0.00225 0.00978 -1.07469 Item Value Threshold Converged? Maximum Force 0.001375 0.000450 NO RMS Force 0.000225 0.000300 YES Maximum Displacement 0.059199 0.001800 NO RMS Displacement 0.011488 0.001200 NO Predicted change in Energy=-1.536908D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.645784 -0.608974 -1.216329 2 1 0 -0.095453 -0.272439 -1.922419 3 1 0 0.710238 0.070410 -0.382241 4 1 0 0.415743 -1.607396 -0.879873 5 8 0 1.885406 -0.615593 -1.932423 6 15 0 3.271888 -1.091781 -1.408807 7 16 0 4.017970 0.598870 -0.321842 8 8 0 4.230100 -1.519828 -2.404671 9 8 0 2.925002 -2.084722 -0.249048 10 6 0 3.870446 -3.020083 0.294554 11 1 0 4.615840 -2.487634 0.862137 12 1 0 3.300363 -3.673029 0.934733 13 1 0 4.326603 -3.580150 -0.506894 14 8 0 2.885259 1.240756 0.300262 15 6 0 4.680634 1.686443 -1.526653 16 8 0 5.092629 0.080513 0.487630 17 6 0 3.929190 2.754774 -1.968802 18 6 0 4.448606 3.605056 -2.935144 19 6 0 5.711371 3.375428 -3.460065 20 6 0 6.467339 2.279728 -3.004180 21 6 0 5.954542 1.446867 -2.044536 22 1 0 3.861769 4.439204 -3.264799 23 8 0 6.290966 4.131566 -4.395385 24 8 0 7.717580 2.075778 -3.483125 25 1 0 6.546168 0.623707 -1.694735 26 1 0 2.955376 2.934981 -1.556977 27 6 0 5.646405 5.283465 -4.870515 28 6 0 7.795871 1.381600 -4.709216 29 1 0 6.321860 5.728579 -5.584142 30 1 0 5.458438 5.986248 -4.067045 31 1 0 4.713245 5.037130 -5.364548 32 1 0 8.844977 1.311427 -4.955818 33 1 0 7.276846 1.918369 -5.493206 34 1 0 7.378004 0.385731 -4.611879 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077613 0.000000 3 H 1.077693 1.771675 0.000000 4 H 1.078410 1.769274 1.774655 0.000000 5 O 1.431606 2.010386 2.062688 2.061903 0.000000 6 P 2.677046 3.503441 2.994424 2.950118 1.556684 7 S 3.691968 4.499029 3.350224 4.260874 2.935425 8 O 3.884474 4.527577 4.359875 4.108771 2.557001 9 O 2.882412 3.899703 3.093140 2.631000 2.464316 10 C 4.300541 5.309695 4.471701 3.912791 3.831629 11 H 4.859088 5.903992 4.831748 4.631440 4.332364 12 H 4.589368 5.590965 4.738829 3.985056 4.423868 13 H 4.783264 5.700810 5.140060 4.396100 4.096361 14 O 3.276705 4.014313 2.562466 3.950088 3.070931 15 C 4.652446 5.177340 4.436810 5.427430 3.643806 16 O 4.811787 5.731413 4.467899 5.156778 4.077683 17 C 4.760438 5.036260 4.481588 5.706014 3.941795 18 C 5.930753 6.058799 5.743382 6.903461 5.038782 19 C 6.824220 7.027836 6.738506 7.715542 5.735847 20 C 6.740291 7.124184 6.700736 7.499615 5.525003 21 C 5.752853 6.290736 5.671030 6.431427 4.563352 22 H 6.326365 6.297711 6.109635 7.356924 5.588578 23 O 8.027901 8.142307 7.983910 8.933798 6.928972 24 O 7.896617 8.306227 7.920847 8.582512 6.607754 25 H 6.046727 6.705672 6.007233 6.574491 4.828567 26 H 4.243804 4.441694 3.824449 5.247989 3.727246 27 C 8.548691 8.516353 8.466775 9.527277 7.587910 28 C 8.202828 8.530830 8.405244 8.835398 6.828833 29 H 9.563483 9.518526 9.516562 10.527530 8.559538 30 H 8.647842 8.638072 8.433286 9.656617 7.804324 31 H 8.101262 7.947537 8.094180 9.095634 7.192317 32 H 9.214037 9.572952 9.414441 9.807387 7.828790 33 H 8.285537 8.479443 8.523923 8.988248 6.940300 34 H 7.605392 7.969877 7.902428 8.146994 6.192800 6 7 8 9 10 6 P 0.000000 7 S 2.143929 0.000000 8 O 1.446769 2.978600 0.000000 9 O 1.565664 2.898542 2.582459 0.000000 10 C 2.641601 3.674034 3.109007 1.436756 0.000000 11 H 2.985264 3.359429 3.428917 2.063009 1.077620 12 H 3.486522 4.510328 4.080724 2.016173 1.077573 13 H 2.849183 4.194485 2.802818 2.065738 1.078922 14 O 2.917384 1.442936 4.092198 3.370776 4.373257 15 C 3.117208 1.753142 3.354709 4.351575 5.111221 16 O 2.878514 1.441815 3.416204 3.151118 3.338368 17 C 3.942287 2.714457 4.307291 5.233227 6.202838 18 C 5.076875 4.006489 5.156898 6.473798 7.393084 19 C 5.487685 4.519438 5.222217 6.920095 7.641251 20 C 4.911537 4.002453 4.449863 6.259979 6.761176 21 C 3.747735 2.727102 3.450316 4.987386 5.456046 22 H 5.863827 4.840822 6.032044 7.248027 8.264988 23 O 6.731852 5.851513 6.336274 8.195368 8.888223 24 O 5.839555 5.085478 5.123862 7.123049 7.418834 25 H 3.707501 2.877019 3.234644 4.747467 4.939024 26 H 4.041899 2.848171 4.710502 5.187390 6.303039 27 C 7.633185 6.729610 7.373677 9.113406 9.938856 28 C 6.121824 5.842453 5.142367 7.458811 7.734435 29 H 8.558801 7.701534 8.186813 10.052341 10.821626 30 H 7.870561 6.717540 7.785466 9.280946 10.132091 31 H 7.435654 6.753551 7.210271 8.949130 9.882025 32 H 7.029652 6.729151 5.985102 8.290574 8.430560 33 H 6.463978 6.253348 5.535604 7.903448 8.336068 34 H 5.413216 5.453410 4.290947 6.705719 6.926444 11 12 13 14 15 11 H 0.000000 12 H 1.772262 0.000000 13 H 1.775245 1.772029 0.000000 14 O 4.148676 4.971936 5.096087 0.000000 15 C 4.809723 6.057022 5.376081 2.599928 0.000000 16 O 2.638743 4.183443 3.869926 2.500751 2.608848 17 C 5.997378 7.081143 6.513552 2.920735 1.378947 18 C 7.181100 8.322556 7.585412 4.301375 2.391394 19 C 7.365943 8.649159 7.682373 5.165636 2.766436 20 C 6.411255 7.808975 6.719922 4.982981 2.393197 21 C 5.071604 6.491075 5.503219 3.867953 1.395866 22 H 8.098229 9.152026 8.493064 4.888077 3.356991 23 O 8.617505 9.912899 8.857180 6.481105 4.098953 24 O 7.023305 8.489880 7.235067 6.193755 3.633511 25 H 4.465893 5.992603 4.899984 4.214620 2.153573 26 H 6.165550 7.070603 6.740167 2.514886 2.129855 27 C 9.711608 10.928111 9.967283 7.120699 5.005266 28 C 7.491565 8.809826 7.369823 7.016325 4.463892 29 H 10.581644 11.832811 10.789436 8.159473 5.957828 30 H 9.839384 11.089486 10.269941 6.943653 5.054394 31 H 9.767455 10.841774 9.899687 7.060033 5.094861 32 H 8.134313 9.501902 8.008504 7.946673 5.407547 33 H 8.178276 9.401838 7.987550 7.301334 4.746330 34 H 6.771309 7.991596 6.472261 6.711554 4.299567 16 17 18 19 20 16 O 0.000000 17 C 3.813046 0.000000 18 C 4.955054 1.388017 0.000000 19 C 5.179151 2.405254 1.386667 0.000000 20 C 4.349611 2.782064 2.415895 1.407081 0.000000 21 C 3.003612 2.412138 2.778275 2.404621 1.370232 22 H 5.881660 2.126373 1.071845 2.142610 3.394151 23 O 6.456847 3.655386 2.409109 1.335102 2.322899 24 O 5.161235 4.135953 3.650365 2.390501 1.354284 25 H 2.677789 3.386020 3.850562 3.374202 2.112644 26 H 4.110505 1.072561 2.139645 3.378053 3.854561 27 C 7.489132 4.214623 2.827974 2.373646 3.630368 28 C 6.000629 4.934237 4.392638 3.143384 2.340678 29 H 8.383203 5.257288 3.877579 3.228269 4.309518 30 H 7.467034 4.145317 2.823302 2.692356 3.985706 31 H 7.678540 4.165932 2.832467 2.717456 4.031309 32 H 6.725057 5.930471 5.354618 4.039414 3.224850 33 H 6.627135 4.932323 4.169837 2.950830 2.642183 34 H 5.596525 4.948994 4.664426 3.611458 2.645984 21 22 23 24 25 21 C 0.000000 22 H 3.850042 0.000000 23 O 3.584310 2.697010 0.000000 24 O 2.360798 4.527773 2.663402 0.000000 25 H 1.072368 4.922308 4.434378 2.584387 0.000000 26 H 3.383370 2.449672 4.540323 5.208345 4.272557 27 C 4.774996 2.544804 1.402882 4.062495 5.710385 28 C 3.239640 5.187720 3.150482 1.411139 3.350112 29 H 5.567477 3.618548 1.991118 4.439061 6.421645 30 H 4.994261 2.363535 2.059310 4.553730 5.963879 31 H 5.045125 2.343389 2.061196 4.619025 6.025399 32 H 4.104695 6.121675 3.845808 2.006012 4.048721 33 H 3.723456 4.794076 2.659965 2.063844 4.079022 34 H 3.121459 5.532556 3.906379 2.060499 3.042748 26 27 28 29 30 26 H 0.000000 27 C 4.872017 0.000000 28 C 5.981637 4.457664 0.000000 29 H 5.946046 1.078717 4.672733 0.000000 30 H 4.677178 1.083881 5.203725 1.764504 0.000000 31 H 4.691133 1.084222 4.826484 1.764643 1.771906 32 H 6.991097 5.100512 1.079982 5.125636 5.840592 33 H 5.933170 3.790772 1.082658 3.929118 4.678481 34 H 5.949011 5.201261 1.084363 5.532337 5.945365 31 32 33 34 31 H 0.000000 32 H 5.578453 0.000000 33 H 4.039218 1.765276 0.000000 34 H 5.413221 1.768393 1.770861 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.325501 2.123911 1.331423 2 1 0 3.100643 2.868394 2.077367 3 1 0 3.247696 2.543722 0.341915 4 1 0 4.309026 1.713730 1.496944 5 8 0 2.341070 1.098448 1.501180 6 15 0 2.245999 -0.251193 0.731314 7 16 0 1.251511 0.269175 -1.095335 8 8 0 1.552803 -1.331839 1.398264 9 8 0 3.706606 -0.513212 0.232040 10 6 0 4.162881 -1.796350 -0.225820 11 1 0 3.709216 -2.019647 -1.177446 12 1 0 5.232063 -1.707421 -0.326350 13 1 0 3.913189 -2.550489 0.504249 14 8 0 1.691540 1.594382 -1.459019 15 6 0 -0.456512 0.337906 -0.706179 16 8 0 1.488837 -0.842629 -1.982126 17 6 0 -1.050686 1.556516 -0.454303 18 6 0 -2.399232 1.607634 -0.129645 19 6 0 -3.141848 0.439358 -0.049030 20 6 0 -2.523830 -0.798728 -0.304126 21 6 0 -1.194177 -0.844792 -0.631899 22 1 0 -2.855116 2.560207 0.053728 23 8 0 -4.439077 0.387332 0.262401 24 8 0 -3.254472 -1.938437 -0.267902 25 1 0 -0.738016 -1.793096 -0.838321 26 1 0 -0.476574 2.459829 -0.523639 27 6 0 -5.161996 1.571011 0.473042 28 6 0 -3.439026 -2.504816 1.011343 29 1 0 -6.176910 1.266894 0.675751 30 1 0 -5.145204 2.201842 -0.408190 31 1 0 -4.775756 2.122385 1.322950 32 1 0 -4.042810 -3.389234 0.871306 33 1 0 -3.954789 -1.817291 1.669708 34 1 0 -2.485725 -2.780986 1.448140 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6159787 0.1844729 0.1696953 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.0064553548 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.56D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999999 -0.001513 0.000096 -0.000432 Ang= -0.18 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.62369818 A.U. after 10 cycles NFock= 10 Conv=0.72D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000041537 0.000399673 0.000511397 2 1 -0.000011024 -0.000003460 -0.000054254 3 1 0.000027831 -0.000068972 0.000036858 4 1 -0.000018406 -0.000078921 -0.000048992 5 8 -0.000407006 -0.000327883 -0.000914854 6 15 0.000691228 0.000645213 0.000606610 7 16 -0.000657613 -0.001121706 0.000977853 8 8 0.000037704 0.000054890 0.000112480 9 8 0.000318900 -0.000164477 0.000277388 10 6 -0.000339162 0.000190156 -0.000311283 11 1 -0.000019745 0.000067415 0.000089293 12 1 -0.000014407 -0.000019206 0.000014210 13 1 0.000058265 0.000090415 0.000030937 14 8 0.000184346 -0.000085284 -0.000310264 15 6 0.000687527 0.000569138 -0.001103849 16 8 0.000012999 -0.000159288 -0.000392970 17 6 0.000360005 0.000224486 -0.000231479 18 6 -0.000181397 -0.000254279 0.000338401 19 6 -0.000849280 -0.000767736 0.001101861 20 6 0.000329275 0.000209227 -0.000461364 21 6 -0.000910254 0.000102008 0.000434548 22 1 0.000014588 -0.000036989 0.000010773 23 8 0.000533460 0.000590943 -0.000691180 24 8 0.000132427 -0.000350844 -0.000379161 25 1 0.000045004 -0.000032642 0.000012207 26 1 0.000034817 0.000096621 -0.000076821 27 6 -0.000132987 -0.000044985 0.000085615 28 6 0.000040498 0.000372900 0.000453830 29 1 0.000029387 0.000050911 -0.000054705 30 1 -0.000000694 0.000063069 -0.000006870 31 1 -0.000020640 0.000019747 -0.000039315 32 1 0.000052186 -0.000056993 0.000117991 33 1 0.000041534 -0.000021961 -0.000074588 34 1 -0.000110904 -0.000151185 -0.000060302 ------------------------------------------------------------------- Cartesian Forces: Max 0.001121706 RMS 0.000377352 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001057205 RMS 0.000224497 Search for a local minimum. Step number 22 out of a maximum of 163 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 17 18 19 20 21 22 DE= -2.05D-05 DEPred=-1.54D-05 R= 1.33D+00 TightC=F SS= 1.41D+00 RLast= 6.44D-02 DXNew= 5.0454D+00 1.9324D-01 Trust test= 1.33D+00 RLast= 6.44D-02 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 ITU= 1 0 Eigenvalues --- 0.00149 0.00374 0.00616 0.00768 0.00840 Eigenvalues --- 0.01624 0.01834 0.01944 0.02035 0.02077 Eigenvalues --- 0.02516 0.02689 0.02749 0.02767 0.02837 Eigenvalues --- 0.03028 0.03496 0.04399 0.05020 0.09858 Eigenvalues --- 0.10058 0.10145 0.10240 0.10452 0.10497 Eigenvalues --- 0.10558 0.10586 0.10913 0.11049 0.11399 Eigenvalues --- 0.12083 0.13616 0.15741 0.15844 0.15968 Eigenvalues --- 0.15987 0.15998 0.16005 0.16010 0.16012 Eigenvalues --- 0.16047 0.16054 0.16137 0.16226 0.16282 Eigenvalues --- 0.16377 0.16703 0.18534 0.19534 0.20888 Eigenvalues --- 0.22199 0.22922 0.23465 0.24037 0.24634 Eigenvalues --- 0.24965 0.25196 0.25560 0.26055 0.27684 Eigenvalues --- 0.29417 0.32452 0.33445 0.33465 0.33494 Eigenvalues --- 0.33605 0.33769 0.34086 0.34797 0.34841 Eigenvalues --- 0.34859 0.34901 0.34906 0.35266 0.35876 Eigenvalues --- 0.37231 0.38659 0.38915 0.39352 0.39942 Eigenvalues --- 0.40355 0.42929 0.45143 0.45329 0.47574 Eigenvalues --- 0.48309 0.49906 0.52866 0.55866 0.59298 Eigenvalues --- 0.64728 0.71717 0.72355 0.76387 0.87458 Eigenvalues --- 1.25923 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 22 21 20 19 18 17 16 RFO step: Lambda=-5.13076820D-05. DidBck=F Rises=F RFO-DIIS coefs: 2.42851 -2.00000 0.30077 0.46060 -0.00793 RFO-DIIS coefs: -0.21230 0.03035 Iteration 1 RMS(Cart)= 0.02438444 RMS(Int)= 0.00055558 Iteration 2 RMS(Cart)= 0.00058240 RMS(Int)= 0.00000134 Iteration 3 RMS(Cart)= 0.00000038 RMS(Int)= 0.00000131 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03639 0.00004 0.00003 -0.00002 0.00001 2.03640 R2 2.03654 -0.00001 -0.00011 -0.00008 -0.00018 2.03636 R3 2.03790 0.00006 0.00005 0.00024 0.00029 2.03818 R4 2.70534 0.00019 0.00035 0.00021 0.00055 2.70590 R5 2.94171 0.00046 0.00051 0.00005 0.00056 2.94226 R6 4.05144 -0.00092 -0.00120 0.00057 -0.00064 4.05080 R7 2.73400 -0.00007 -0.00009 0.00011 0.00003 2.73402 R8 2.95868 -0.00003 0.00019 -0.00006 0.00013 2.95880 R9 2.72675 -0.00032 -0.00019 0.00019 0.00000 2.72676 R10 3.31296 0.00083 0.00048 -0.00039 0.00009 3.31305 R11 2.72464 -0.00015 -0.00022 -0.00002 -0.00024 2.72440 R12 2.71507 -0.00049 -0.00055 0.00011 -0.00045 2.71463 R13 2.03641 0.00007 0.00002 0.00004 0.00007 2.03648 R14 2.03632 0.00003 0.00011 -0.00002 0.00009 2.03640 R15 2.03887 -0.00005 -0.00003 -0.00010 -0.00012 2.03874 R16 2.60583 -0.00016 -0.00011 0.00005 -0.00007 2.60576 R17 2.63780 -0.00079 -0.00051 -0.00019 -0.00070 2.63710 R18 2.62297 -0.00065 -0.00046 -0.00006 -0.00052 2.62246 R19 2.02685 -0.00004 0.00001 -0.00009 -0.00008 2.02677 R20 2.62042 -0.00012 -0.00001 -0.00019 -0.00020 2.62022 R21 2.02549 -0.00004 -0.00005 -0.00003 -0.00008 2.02541 R22 2.65900 0.00008 -0.00023 0.00003 -0.00020 2.65880 R23 2.52298 0.00106 0.00056 0.00180 0.00235 2.52533 R24 2.58936 0.00014 0.00018 0.00014 0.00032 2.58968 R25 2.55923 0.00015 0.00006 -0.00025 -0.00019 2.55904 R26 2.02648 0.00005 0.00009 0.00002 0.00011 2.02660 R27 2.65106 0.00014 0.00011 -0.00006 0.00004 2.65111 R28 2.66667 -0.00045 -0.00074 -0.00005 -0.00079 2.66587 R29 2.03848 0.00008 0.00006 0.00009 0.00015 2.03862 R30 2.04824 0.00004 0.00003 0.00003 0.00006 2.04830 R31 2.04888 0.00003 0.00001 0.00005 0.00005 2.04894 R32 2.04087 0.00003 0.00002 -0.00003 -0.00001 2.04086 R33 2.04593 0.00002 0.00021 -0.00000 0.00021 2.04614 R34 2.04915 0.00018 0.00029 -0.00006 0.00022 2.04937 A1 1.92985 0.00007 0.00021 -0.00035 -0.00014 1.92971 A2 1.92499 -0.00001 -0.00023 -0.00003 -0.00026 1.92473 A3 1.84346 -0.00004 -0.00015 -0.00017 -0.00032 1.84314 A4 1.93364 0.00001 0.00008 0.00029 0.00037 1.93401 A5 1.91587 0.00003 0.00049 0.00131 0.00180 1.91766 A6 1.91398 -0.00006 -0.00042 -0.00107 -0.00148 1.91250 A7 2.21979 -0.00075 -0.00140 -0.00218 -0.00358 2.21621 A8 1.81240 0.00027 0.00157 -0.00038 0.00120 1.81360 A9 2.03630 -0.00002 -0.00026 0.00018 -0.00008 2.03621 A10 1.81917 -0.00000 -0.00043 0.00008 -0.00034 1.81883 A11 1.93030 -0.00004 -0.00051 0.00115 0.00064 1.93094 A12 1.77385 -0.00033 -0.00056 -0.00132 -0.00188 1.77197 A13 2.05894 0.00012 0.00032 0.00002 0.00034 2.05928 A14 1.87151 0.00004 0.00073 -0.00084 -0.00011 1.87140 A15 1.84659 0.00016 0.00026 0.00039 0.00065 1.84724 A16 1.83435 -0.00034 -0.00117 -0.00012 -0.00128 1.83307 A17 1.89341 -0.00014 -0.00020 -0.00020 -0.00039 1.89302 A18 2.09784 0.00027 0.00076 -0.00025 0.00051 2.09835 A19 1.90405 0.00001 -0.00041 0.00105 0.00064 1.90470 A20 2.14999 -0.00004 0.00010 0.00138 0.00148 2.15146 A21 1.91005 -0.00010 -0.00047 -0.00197 -0.00244 1.90761 A22 1.84536 0.00002 0.00016 0.00056 0.00073 1.84609 A23 1.91252 0.00004 0.00024 0.00123 0.00146 1.91398 A24 1.93096 -0.00002 -0.00013 0.00100 0.00087 1.93182 A25 1.93401 0.00001 0.00003 -0.00057 -0.00054 1.93347 A26 1.92883 0.00005 0.00017 -0.00021 -0.00003 1.92880 A27 2.08862 0.00020 0.00048 0.00021 0.00069 2.08931 A28 2.08686 -0.00032 -0.00045 -0.00022 -0.00067 2.08619 A29 2.10754 0.00012 -0.00001 0.00003 0.00002 2.10756 A30 2.08737 0.00000 -0.00006 -0.00016 -0.00022 2.08716 A31 2.09650 0.00012 0.00044 -0.00008 0.00036 2.09686 A32 2.09920 -0.00012 -0.00039 0.00024 -0.00014 2.09906 A33 2.09772 0.00001 0.00002 -0.00000 0.00002 2.09775 A34 2.07828 -0.00001 -0.00003 0.00005 0.00001 2.07829 A35 2.10718 -0.00000 0.00001 -0.00005 -0.00004 2.10714 A36 2.08927 0.00010 0.00022 0.00037 0.00059 2.08987 A37 2.17334 -0.00023 -0.00007 -0.00060 -0.00068 2.17266 A38 2.02057 0.00013 -0.00014 0.00023 0.00009 2.02066 A39 2.09343 -0.00041 -0.00050 -0.00054 -0.00103 2.09239 A40 2.09286 0.00075 0.00053 0.00139 0.00192 2.09478 A41 2.09628 -0.00035 -0.00005 -0.00089 -0.00094 2.09535 A42 2.09100 0.00017 0.00032 0.00029 0.00061 2.09162 A43 2.11090 -0.00007 -0.00004 -0.00027 -0.00031 2.11059 A44 2.08123 -0.00010 -0.00029 -0.00002 -0.00030 2.08092 A45 2.09767 -0.00014 -0.00012 -0.00045 -0.00057 2.09710 A46 2.01814 0.00041 -0.00049 0.00174 0.00125 2.01939 A47 1.84957 0.00001 -0.00007 0.00011 0.00004 1.84961 A48 1.94015 0.00006 0.00019 0.00008 0.00027 1.94042 A49 1.94251 0.00003 0.00008 0.00005 0.00014 1.94264 A50 1.90863 -0.00005 -0.00013 -0.00007 -0.00019 1.90844 A51 1.90841 -0.00004 -0.00016 -0.00014 -0.00030 1.90811 A52 1.91328 -0.00002 0.00006 -0.00005 0.00002 1.91330 A53 1.85903 -0.00016 0.00022 -0.00129 -0.00107 1.85796 A54 1.93766 0.00013 0.00003 0.00015 0.00017 1.93783 A55 1.93094 0.00008 0.00021 0.00070 0.00091 1.93185 A56 1.90981 0.00003 0.00008 0.00027 0.00035 1.91016 A57 1.91257 -0.00002 -0.00022 -0.00004 -0.00026 1.91232 A58 1.91303 -0.00006 -0.00030 0.00016 -0.00014 1.91289 D1 -3.08018 -0.00003 -0.00636 -0.03612 -0.04248 -3.12267 D2 1.12213 -0.00011 -0.00679 -0.03629 -0.04308 1.07906 D3 -1.00604 -0.00010 -0.00694 -0.03680 -0.04373 -1.04978 D4 -1.44048 0.00033 0.00692 -0.00152 0.00540 -1.43508 D5 2.71418 0.00020 0.00655 -0.00280 0.00375 2.71793 D6 0.41074 0.00006 0.00670 -0.00305 0.00365 0.41439 D7 0.60816 -0.00007 -0.00028 0.00642 0.00614 0.61430 D8 -1.41017 -0.00000 -0.00052 0.00685 0.00633 -1.40384 D9 2.85939 0.00007 0.00034 0.00555 0.00589 2.86528 D10 2.80567 0.00005 0.00011 0.00706 0.00717 2.81284 D11 0.78734 0.00012 -0.00013 0.00749 0.00736 0.79470 D12 -1.22629 0.00019 0.00074 0.00619 0.00693 -1.21936 D13 -1.27701 -0.00004 -0.00011 0.00688 0.00676 -1.27025 D14 2.98784 0.00003 -0.00035 0.00730 0.00695 2.99479 D15 0.97421 0.00010 0.00051 0.00600 0.00652 0.98073 D16 2.85420 0.00008 0.00204 -0.00184 0.00019 2.85440 D17 -1.54906 0.00026 0.00342 -0.00266 0.00075 -1.54830 D18 0.56394 0.00002 0.00254 -0.00219 0.00035 0.56429 D19 1.71960 0.00018 0.00205 0.00909 0.01114 1.73074 D20 -1.40244 0.00012 0.00099 0.00759 0.00858 -1.39386 D21 -0.28375 0.00012 0.00118 0.00995 0.01113 -0.27262 D22 2.87739 0.00005 0.00012 0.00845 0.00856 2.88596 D23 -2.59815 -0.00013 0.00066 0.00962 0.01027 -2.58787 D24 0.56300 -0.00019 -0.00041 0.00812 0.00771 0.57071 D25 1.23695 0.00013 0.00818 0.05363 0.06181 1.29876 D26 -2.96601 0.00007 0.00787 0.05410 0.06197 -2.90405 D27 -0.88702 0.00016 0.00829 0.05481 0.06310 -0.82392 D28 -3.12734 -0.00005 -0.00105 -0.00061 -0.00166 -3.12900 D29 0.03023 -0.00004 -0.00109 -0.00062 -0.00171 0.02852 D30 -0.00553 0.00000 0.00002 0.00091 0.00093 -0.00460 D31 -3.13115 0.00002 -0.00002 0.00090 0.00088 -3.13027 D32 3.12081 0.00007 0.00142 -0.00002 0.00140 3.12220 D33 -0.03232 0.00003 0.00048 0.00075 0.00123 -0.03109 D34 -0.00102 0.00000 0.00034 -0.00154 -0.00120 -0.00222 D35 3.12904 -0.00003 -0.00061 -0.00077 -0.00137 3.12767 D36 0.00865 -0.00002 -0.00012 -0.00012 -0.00024 0.00840 D37 -3.12971 0.00001 -0.00029 0.00020 -0.00009 -3.12980 D38 3.13424 -0.00003 -0.00007 -0.00012 -0.00019 3.13405 D39 -0.00412 -0.00001 -0.00024 0.00021 -0.00003 -0.00415 D40 -0.00527 0.00002 -0.00013 -0.00004 -0.00016 -0.00544 D41 3.13504 0.00005 -0.00049 0.00117 0.00067 3.13571 D42 3.13303 -0.00001 0.00005 -0.00037 -0.00032 3.13271 D43 -0.00984 0.00002 -0.00032 0.00083 0.00051 -0.00933 D44 -0.00130 -0.00001 0.00048 -0.00059 -0.00011 -0.00140 D45 -3.10535 0.00007 0.00094 0.00054 0.00148 -3.10387 D46 3.14146 -0.00004 0.00082 -0.00169 -0.00087 3.14059 D47 0.03741 0.00005 0.00128 -0.00056 0.00072 0.03813 D48 0.05348 -0.00004 0.00047 0.00300 0.00347 0.05694 D49 -3.08935 -0.00002 0.00012 0.00416 0.00427 -3.08507 D50 0.00442 0.00000 -0.00058 0.00136 0.00078 0.00520 D51 -3.12584 0.00004 0.00034 0.00060 0.00094 -3.12489 D52 3.10839 -0.00006 -0.00103 0.00028 -0.00075 3.10765 D53 -0.02186 -0.00003 -0.00011 -0.00048 -0.00058 -0.02244 D54 -1.46265 -0.00009 0.00000 -0.00476 -0.00476 -1.46741 D55 1.71654 0.00000 0.00047 -0.00364 -0.00316 1.71338 D56 3.11077 0.00001 -0.00040 -0.00158 -0.00198 3.10879 D57 1.03877 0.00003 -0.00031 -0.00161 -0.00192 1.03685 D58 -1.09940 -0.00002 -0.00059 -0.00165 -0.00224 -1.10164 D59 3.13112 0.00017 0.00471 0.02183 0.02654 -3.12552 D60 1.05336 0.00016 0.00447 0.02220 0.02667 1.08003 D61 -1.07469 0.00009 0.00470 0.02141 0.02610 -1.04859 Item Value Threshold Converged? Maximum Force 0.001057 0.000450 NO RMS Force 0.000224 0.000300 YES Maximum Displacement 0.134946 0.001800 NO RMS Displacement 0.024420 0.001200 NO Predicted change in Energy=-2.193758D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.655269 -0.613807 -1.227934 2 1 0 -0.077351 -0.243068 -1.925847 3 1 0 0.730226 0.040175 -0.374761 4 1 0 0.405007 -1.617012 -0.920948 5 8 0 1.896156 -0.626116 -1.942342 6 15 0 3.280271 -1.097392 -1.407263 7 16 0 4.018818 0.598670 -0.324255 8 8 0 4.244656 -1.531240 -2.394641 9 8 0 2.927022 -2.082586 -0.242738 10 6 0 3.868237 -3.013819 0.314493 11 1 0 4.571774 -2.481698 0.933547 12 1 0 3.285400 -3.701317 0.905178 13 1 0 4.376759 -3.535850 -0.481007 14 8 0 2.882972 1.237975 0.294787 15 6 0 4.678851 1.686295 -1.530532 16 8 0 5.093865 0.084750 0.487306 17 6 0 3.929759 2.758672 -1.966727 18 6 0 4.448721 3.609312 -2.932606 19 6 0 5.708550 3.376299 -3.462777 20 6 0 6.462694 2.276977 -3.012956 21 6 0 5.949879 1.443982 -2.053197 22 1 0 3.863939 4.446584 -3.257819 23 8 0 6.287635 4.134339 -4.398652 24 8 0 7.711082 2.069080 -3.494747 25 1 0 6.540015 0.618203 -1.706884 26 1 0 2.958264 2.941719 -1.550807 27 6 0 5.646552 5.292301 -4.863709 28 6 0 7.786180 1.373033 -4.719495 29 1 0 6.320898 5.738554 -5.577790 30 1 0 5.465686 5.991270 -4.055256 31 1 0 4.709992 5.053697 -5.355160 32 1 0 8.836253 1.277174 -4.952956 33 1 0 7.289941 1.922363 -5.509667 34 1 0 7.343029 0.387480 -4.627837 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077618 0.000000 3 H 1.077597 1.771517 0.000000 4 H 1.078561 1.769241 1.774924 0.000000 5 O 1.431898 2.010405 2.064133 2.061225 0.000000 6 P 2.675192 3.503202 2.977054 2.962035 1.556979 7 S 3.687845 4.477971 3.336062 4.280762 2.936665 8 O 3.884146 4.534192 4.347468 4.113640 2.557201 9 O 2.879025 3.904220 3.057688 2.652788 2.464273 10 C 4.296779 5.316376 4.432727 3.933363 3.831910 11 H 4.847684 5.899319 4.777972 4.642067 4.344290 12 H 4.582628 5.593057 4.708070 3.996965 4.415340 13 H 4.790169 5.724427 5.108468 4.432866 4.093341 14 O 3.272681 3.986003 2.552908 3.971055 3.074636 15 C 4.644486 5.147832 4.431383 5.435915 3.641459 16 O 4.809487 5.715964 4.448201 5.183103 4.078463 17 C 4.758331 5.006900 4.490166 5.715255 3.948787 18 C 5.927134 6.028244 5.754000 6.907449 5.043318 19 C 6.815506 6.995615 6.741608 7.715026 5.732835 20 C 6.728234 7.092576 6.695114 7.499015 5.516107 21 C 5.740074 6.260180 5.659735 6.434072 4.553049 22 H 6.326417 6.269032 6.127693 7.361547 5.597762 23 O 8.020093 8.111073 7.989911 8.931841 6.926794 24 O 7.881676 8.274489 7.910949 8.578488 6.594498 25 H 6.031375 6.676771 5.988516 6.576641 4.813439 26 H 4.248505 4.415709 3.842681 5.262877 3.743103 27 C 8.544816 8.487309 8.479725 9.526687 7.591279 28 C 8.184646 8.500081 8.392837 8.823325 6.811869 29 H 9.558927 9.489683 9.528832 10.525602 8.561766 30 H 8.646439 8.609682 8.449033 9.660245 7.809977 31 H 8.099097 7.920516 8.110383 9.093597 7.198978 32 H 9.185865 9.535558 9.391364 9.783625 7.800722 33 H 8.293628 8.474070 8.540478 8.999214 6.950789 34 H 7.568887 7.922145 7.870098 8.117584 6.156922 6 7 8 9 10 6 P 0.000000 7 S 2.143591 0.000000 8 O 1.446782 2.978929 0.000000 9 O 1.565730 2.896169 2.582794 0.000000 10 C 2.642506 3.671614 3.111131 1.436519 0.000000 11 H 3.010594 3.372906 3.476667 2.061104 1.077657 12 H 3.482504 4.532030 4.064260 2.016541 1.077619 13 H 2.829543 4.152944 2.774509 2.066515 1.078856 14 O 2.916977 1.442938 4.093380 3.364074 4.364503 15 C 3.117713 1.753190 3.359724 4.351067 5.113930 16 O 2.876799 1.441690 3.411480 3.150479 3.336639 17 C 3.950197 2.715005 4.322686 5.235971 6.207205 18 C 5.083799 4.006529 5.172652 6.476778 7.399086 19 C 5.489589 4.518931 5.231428 6.921342 7.647753 20 C 4.908405 4.002294 4.450228 6.259463 6.767248 21 C 3.742007 2.726314 3.446203 4.985189 5.459961 22 H 5.873746 4.841098 6.051810 7.252488 8.271580 23 O 6.735254 5.852281 6.347331 8.198505 8.897380 24 O 5.832342 5.083988 5.117485 7.120331 7.423855 25 H 3.695805 2.875496 3.218974 4.742542 4.941249 26 H 4.054467 2.849400 4.730140 5.191884 6.306808 27 C 7.640319 6.729512 7.390692 9.118013 9.948256 28 C 6.113682 5.840444 5.136356 7.456144 7.741820 29 H 8.565563 7.701793 8.203239 10.057405 10.832293 30 H 7.876359 6.715201 7.799790 9.282632 10.135984 31 H 7.447543 6.755368 7.234820 8.957811 9.896380 32 H 7.005672 6.715127 5.959441 8.270016 8.416639 33 H 6.482754 6.272233 5.559184 7.925605 8.366288 34 H 5.392861 5.442040 4.274175 6.695628 6.933227 11 12 13 14 15 11 H 0.000000 12 H 1.772861 0.000000 13 H 1.774889 1.771991 0.000000 14 O 4.134735 4.993108 5.061883 0.000000 15 C 4.843070 6.074599 5.335125 2.599608 0.000000 16 O 2.656759 4.216571 3.815837 2.501007 2.609378 17 C 6.023724 7.098908 6.482914 2.919371 1.378911 18 C 7.215448 8.338297 7.554393 4.300102 2.390976 19 C 7.411886 8.662756 7.644764 5.164843 2.765856 20 C 6.464941 7.822210 6.674642 4.983483 2.393446 21 C 5.121599 6.505808 5.453917 3.867995 1.395495 22 H 8.128326 9.168072 8.467167 4.886561 3.356605 23 O 8.668822 9.926809 8.822198 6.481437 4.099660 24 O 7.083405 8.499616 7.184398 6.193702 3.633055 25 H 4.522746 6.006134 4.841344 4.214827 2.153103 26 H 6.179716 7.090050 6.716807 2.512893 2.130004 27 C 9.756966 10.942589 9.937640 7.119341 5.004976 28 C 7.559646 8.811527 7.327078 7.014465 4.463532 29 H 10.631533 11.847122 10.759714 8.158536 5.957971 30 H 9.873117 11.104315 10.233623 6.941693 5.052341 31 H 9.815759 10.856868 9.881737 7.058303 5.095895 32 H 8.183265 9.482356 7.940442 7.936114 5.400404 33 H 8.264333 9.424031 7.972837 7.319935 4.765190 34 H 6.844051 7.987294 6.433310 6.696841 4.286964 16 17 18 19 20 16 O 0.000000 17 C 3.811466 0.000000 18 C 4.953236 1.387744 0.000000 19 C 5.178347 2.404938 1.386559 0.000000 20 C 4.351021 2.782515 2.416126 1.406976 0.000000 21 C 3.005732 2.411798 2.777677 2.403956 1.370401 22 H 5.879139 2.126100 1.071801 2.142454 3.394213 23 O 6.457308 3.655995 2.409679 1.336348 2.323917 24 O 5.161795 4.136277 3.651208 2.391648 1.354185 25 H 2.681490 3.385641 3.850018 3.373661 2.112660 26 H 4.108158 1.072519 2.139277 3.377655 3.854969 27 C 7.487149 4.214162 2.827792 2.374346 3.630916 28 C 6.001584 4.936569 4.396880 3.147851 2.341155 29 H 8.381915 5.257093 3.877592 3.229319 4.310568 30 H 7.460569 4.143757 2.822815 2.692227 3.984518 31 H 7.679336 4.166220 2.832540 2.718805 4.033369 32 H 6.709977 5.931787 5.363873 4.050863 3.224437 33 H 6.645544 4.954056 4.190415 2.967236 2.653989 34 H 5.595987 4.935025 4.650917 3.600267 2.636860 21 22 23 24 25 21 C 0.000000 22 H 3.849400 0.000000 23 O 3.585144 2.696906 0.000000 24 O 2.360222 4.528705 2.666184 0.000000 25 H 1.072429 4.921716 4.435371 2.583195 0.000000 26 H 3.383100 2.449235 4.540624 5.208615 4.272238 27 C 4.774991 2.543979 1.402905 4.065156 5.710605 28 C 3.238238 5.192994 3.158066 1.410719 3.346420 29 H 5.568102 3.617748 1.991226 4.442603 6.422610 30 H 4.992045 2.363801 2.059543 4.554070 5.961450 31 H 5.046813 2.341630 2.061332 4.623378 6.027646 32 H 4.094824 6.135354 3.868604 2.004869 4.030377 33 H 3.737887 4.814562 2.670545 2.063683 4.089546 34 H 3.112207 5.518817 3.899401 2.060857 3.038097 26 27 28 29 30 26 H 0.000000 27 C 4.871082 0.000000 28 C 5.984156 4.467602 0.000000 29 H 5.945265 1.078794 4.684175 0.000000 30 H 4.675381 1.083912 5.210952 1.764472 0.000000 31 H 4.690640 1.084251 4.838832 1.764543 1.771967 32 H 6.992573 5.128684 1.079975 5.159588 5.864238 33 H 5.956096 3.804533 1.082768 3.937893 4.690333 34 H 5.934510 5.195280 1.084481 5.530023 5.937569 31 32 33 34 31 H 0.000000 32 H 5.608024 0.000000 33 H 4.060206 1.765581 0.000000 34 H 5.406983 1.768326 1.770962 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.312547 2.114494 1.352849 2 1 0 3.061395 2.869533 2.079554 3 1 0 3.257195 2.516610 0.354624 4 1 0 4.295045 1.716423 1.551673 5 8 0 2.334268 1.081780 1.516568 6 15 0 2.246454 -0.258469 0.729036 7 16 0 1.250779 0.278040 -1.091890 8 8 0 1.560118 -1.351730 1.382413 9 8 0 3.708352 -0.504848 0.225387 10 6 0 4.174005 -1.777902 -0.250103 11 1 0 3.769389 -1.961039 -1.231985 12 1 0 5.248153 -1.700895 -0.289320 13 1 0 3.875470 -2.553624 0.437692 14 8 0 1.690237 1.606642 -1.443691 15 6 0 -0.457268 0.343269 -0.702024 16 8 0 1.489132 -0.826207 -1.987599 17 6 0 -1.055172 1.560408 -0.452069 18 6 0 -2.403948 1.607705 -0.128961 19 6 0 -3.143096 0.437367 -0.048236 20 6 0 -2.521920 -0.799346 -0.301739 21 6 0 -1.191666 -0.841062 -0.628362 22 1 0 -2.862925 2.559007 0.053037 23 8 0 -4.441899 0.382614 0.261500 24 8 0 -3.248018 -1.941897 -0.267490 25 1 0 -0.732543 -1.788046 -0.834596 26 1 0 -0.483897 2.465452 -0.521620 27 6 0 -5.168285 1.565408 0.465231 28 6 0 -3.429162 -2.513662 1.009382 29 1 0 -6.183254 1.259710 0.665687 30 1 0 -5.150197 2.193142 -0.418222 31 1 0 -4.786457 2.120876 1.314503 32 1 0 -4.006778 -3.414229 0.862122 33 1 0 -3.970364 -1.841169 1.663017 34 1 0 -2.473235 -2.764248 1.456048 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6162549 0.1844641 0.1697055 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.0612513503 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.56D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999995 -0.003030 0.000167 -0.000771 Ang= -0.36 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.62374315 A.U. after 11 cycles NFock= 11 Conv=0.58D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000000101 0.000188092 0.000343134 2 1 -0.000017127 0.000010911 -0.000019201 3 1 -0.000018424 -0.000024242 0.000003953 4 1 0.000009153 -0.000012363 -0.000033100 5 8 -0.000261893 -0.000215805 -0.000618822 6 15 0.000562554 0.000556333 0.000691925 7 16 -0.000768806 -0.001149349 0.000673812 8 8 0.000015130 0.000122018 0.000079327 9 8 0.000197366 -0.000227226 -0.000000369 10 6 -0.000262853 0.000257250 -0.000124328 11 1 0.000007062 0.000043029 0.000036669 12 1 0.000008181 -0.000033484 0.000017250 13 1 0.000035699 0.000032027 0.000007001 14 8 0.000215629 0.000008918 -0.000186729 15 6 0.000650659 0.000572978 -0.000899992 16 8 0.000040934 -0.000100810 -0.000283531 17 6 0.000170564 0.000163118 -0.000185889 18 6 -0.000167135 -0.000202073 0.000285290 19 6 -0.000085941 -0.000115593 0.000206531 20 6 0.000102821 0.000242547 -0.000266039 21 6 -0.000604497 -0.000028720 0.000363051 22 1 0.000010634 -0.000020500 -0.000002061 23 8 0.000099814 -0.000023650 0.000019018 24 8 0.000021573 -0.000212846 -0.000146772 25 1 0.000041852 -0.000011731 -0.000025081 26 1 0.000007044 0.000041590 -0.000045506 27 6 -0.000088261 -0.000051062 0.000003839 28 6 0.000088788 0.000261969 0.000193828 29 1 0.000015836 0.000018981 -0.000023539 30 1 0.000001847 0.000029179 0.000000187 31 1 -0.000013585 0.000022512 -0.000023086 32 1 0.000029472 -0.000061345 -0.000025377 33 1 -0.000001231 -0.000000921 -0.000012676 34 1 -0.000042758 -0.000079729 -0.000002717 ------------------------------------------------------------------- Cartesian Forces: Max 0.001149349 RMS 0.000267500 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000839502 RMS 0.000145689 Search for a local minimum. Step number 23 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 18 19 20 21 22 23 DE= -4.50D-05 DEPred=-2.19D-05 R= 2.05D+00 TightC=F SS= 1.41D+00 RLast= 1.43D-01 DXNew= 5.0454D+00 4.2941D-01 Trust test= 2.05D+00 RLast= 1.43D-01 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 ITU= 0 1 0 Eigenvalues --- 0.00129 0.00374 0.00594 0.00708 0.00840 Eigenvalues --- 0.01662 0.01838 0.01929 0.02053 0.02076 Eigenvalues --- 0.02516 0.02690 0.02744 0.02767 0.02843 Eigenvalues --- 0.03065 0.03423 0.04415 0.05025 0.09854 Eigenvalues --- 0.10071 0.10139 0.10251 0.10452 0.10495 Eigenvalues --- 0.10564 0.10591 0.10909 0.11038 0.11448 Eigenvalues --- 0.12046 0.13637 0.15750 0.15840 0.15951 Eigenvalues --- 0.15986 0.15998 0.16005 0.16007 0.16012 Eigenvalues --- 0.16051 0.16054 0.16122 0.16234 0.16326 Eigenvalues --- 0.16397 0.16659 0.18379 0.19710 0.20384 Eigenvalues --- 0.22092 0.22673 0.23296 0.24058 0.24673 Eigenvalues --- 0.24874 0.24966 0.25557 0.26157 0.26572 Eigenvalues --- 0.28948 0.32420 0.33387 0.33465 0.33489 Eigenvalues --- 0.33598 0.33784 0.34054 0.34798 0.34834 Eigenvalues --- 0.34848 0.34895 0.34907 0.35155 0.35538 Eigenvalues --- 0.37284 0.38566 0.38872 0.39345 0.39703 Eigenvalues --- 0.40042 0.42726 0.45061 0.45354 0.47561 Eigenvalues --- 0.48395 0.49531 0.52737 0.52941 0.58791 Eigenvalues --- 0.60699 0.70530 0.72845 0.77212 0.87442 Eigenvalues --- 1.28256 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 23 22 21 20 19 18 17 16 RFO step: Lambda=-2.25095713D-05. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. RFO-DIIS uses 6 points instead of 8 DidBck=F Rises=F RFO-DIIS coefs: 1.54795 -2.00000 0.83422 1.11740 -0.44153 RFO-DIIS coefs: -0.05805 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.01602451 RMS(Int)= 0.00026589 Iteration 2 RMS(Cart)= 0.00028463 RMS(Int)= 0.00000101 Iteration 3 RMS(Cart)= 0.00000009 RMS(Int)= 0.00000101 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03640 0.00003 0.00004 0.00002 0.00005 2.03646 R2 2.03636 -0.00001 -0.00005 -0.00010 -0.00015 2.03621 R3 2.03818 -0.00000 -0.00004 0.00009 0.00005 2.03824 R4 2.70590 0.00017 0.00048 0.00049 0.00097 2.70686 R5 2.94226 0.00035 0.00040 0.00065 0.00105 2.94331 R6 4.05080 -0.00084 -0.00166 -0.00129 -0.00295 4.04785 R7 2.73402 -0.00008 -0.00011 0.00002 -0.00010 2.73392 R8 2.95880 -0.00009 -0.00008 -0.00011 -0.00020 2.95860 R9 2.72676 -0.00025 -0.00025 -0.00001 -0.00026 2.72649 R10 3.31305 0.00083 0.00133 0.00028 0.00161 3.31466 R11 2.72440 -0.00009 0.00004 -0.00021 -0.00017 2.72423 R12 2.71463 -0.00036 -0.00028 -0.00063 -0.00091 2.71372 R13 2.03648 0.00005 -0.00003 0.00007 0.00004 2.03651 R14 2.03640 0.00003 0.00004 0.00010 0.00013 2.03654 R15 2.03874 -0.00000 0.00004 -0.00002 0.00002 2.03876 R16 2.60576 -0.00006 0.00007 -0.00002 0.00005 2.60581 R17 2.63710 -0.00049 -0.00061 -0.00043 -0.00105 2.63606 R18 2.62246 -0.00041 -0.00034 -0.00048 -0.00083 2.62163 R19 2.02677 -0.00002 0.00000 -0.00003 -0.00003 2.02674 R20 2.62022 -0.00000 0.00008 0.00008 0.00016 2.62038 R21 2.02541 -0.00002 -0.00000 -0.00006 -0.00006 2.02535 R22 2.65880 -0.00010 -0.00043 -0.00028 -0.00071 2.65809 R23 2.52533 0.00002 -0.00008 0.00122 0.00114 2.52648 R24 2.58968 0.00014 0.00030 0.00024 0.00054 2.59023 R25 2.55904 0.00010 0.00012 -0.00012 0.00000 2.55904 R26 2.02660 0.00002 -0.00002 0.00009 0.00007 2.02666 R27 2.65111 0.00007 -0.00001 0.00007 0.00007 2.65117 R28 2.66587 -0.00019 0.00000 -0.00056 -0.00056 2.66531 R29 2.03862 0.00003 0.00004 0.00005 0.00009 2.03871 R30 2.04830 0.00002 -0.00000 0.00005 0.00005 2.04835 R31 2.04894 0.00002 0.00004 -0.00002 0.00003 2.04896 R32 2.04086 0.00004 0.00010 0.00000 0.00010 2.04096 R33 2.04614 0.00001 -0.00001 0.00008 0.00006 2.04620 R34 2.04937 0.00009 0.00013 0.00011 0.00024 2.04961 A1 1.92971 0.00000 0.00008 -0.00033 -0.00025 1.92947 A2 1.92473 -0.00000 -0.00006 -0.00008 -0.00013 1.92459 A3 1.84314 -0.00001 -0.00010 -0.00011 -0.00022 1.84293 A4 1.93401 0.00001 0.00015 0.00022 0.00037 1.93438 A5 1.91766 0.00005 -0.00009 0.00151 0.00142 1.91908 A6 1.91250 -0.00005 -0.00000 -0.00122 -0.00122 1.91128 A7 2.21621 -0.00044 -0.00133 -0.00236 -0.00368 2.21252 A8 1.81360 0.00029 0.00113 0.00179 0.00292 1.81652 A9 2.03621 -0.00003 -0.00039 -0.00006 -0.00045 2.03576 A10 1.81883 -0.00004 -0.00024 -0.00043 -0.00067 1.81815 A11 1.93094 -0.00018 -0.00126 -0.00046 -0.00173 1.92921 A12 1.77197 -0.00014 0.00077 -0.00127 -0.00051 1.77146 A13 2.05928 0.00010 0.00029 0.00047 0.00076 2.06004 A14 1.87140 0.00015 0.00138 0.00046 0.00184 1.87325 A15 1.84724 0.00010 0.00017 0.00039 0.00056 1.84780 A16 1.83307 -0.00024 -0.00083 -0.00155 -0.00238 1.83069 A17 1.89302 -0.00013 -0.00058 0.00006 -0.00052 1.89250 A18 2.09835 0.00016 0.00049 0.00033 0.00082 2.09916 A19 1.90470 -0.00004 -0.00059 0.00030 -0.00030 1.90440 A20 2.15146 -0.00004 0.00067 0.00063 0.00131 2.15277 A21 1.90761 -0.00006 0.00071 -0.00219 -0.00148 1.90612 A22 1.84609 0.00006 0.00020 0.00066 0.00086 1.84695 A23 1.91398 0.00001 -0.00021 0.00104 0.00083 1.91481 A24 1.93182 -0.00001 -0.00028 0.00087 0.00059 1.93241 A25 1.93347 -0.00001 -0.00007 -0.00046 -0.00053 1.93295 A26 1.92880 0.00001 -0.00033 0.00011 -0.00022 1.92858 A27 2.08931 0.00009 0.00004 0.00030 0.00034 2.08966 A28 2.08619 -0.00019 -0.00028 -0.00031 -0.00059 2.08559 A29 2.10756 0.00010 0.00025 0.00004 0.00029 2.10785 A30 2.08716 -0.00002 -0.00008 -0.00021 -0.00029 2.08687 A31 2.09686 0.00007 0.00020 0.00021 0.00041 2.09728 A32 2.09906 -0.00005 -0.00012 -0.00001 -0.00012 2.09893 A33 2.09775 0.00001 -0.00006 0.00009 0.00004 2.09778 A34 2.07829 -0.00000 0.00018 -0.00007 0.00011 2.07840 A35 2.10714 -0.00001 -0.00012 -0.00002 -0.00014 2.10700 A36 2.08987 0.00005 0.00005 0.00033 0.00038 2.09025 A37 2.17266 -0.00003 0.00014 -0.00033 -0.00019 2.17247 A38 2.02066 -0.00002 -0.00019 -0.00000 -0.00020 2.02046 A39 2.09239 -0.00018 0.00004 -0.00067 -0.00063 2.09176 A40 2.09478 0.00024 -0.00029 0.00122 0.00093 2.09571 A41 2.09535 -0.00007 0.00026 -0.00057 -0.00031 2.09504 A42 2.09162 0.00004 -0.00020 0.00041 0.00021 2.09183 A43 2.11059 0.00002 0.00035 -0.00009 0.00026 2.11085 A44 2.08092 -0.00007 -0.00015 -0.00032 -0.00047 2.08045 A45 2.09710 -0.00005 -0.00008 -0.00021 -0.00030 2.09680 A46 2.01939 0.00015 -0.00045 0.00102 0.00057 2.01996 A47 1.84961 -0.00001 0.00003 -0.00012 -0.00009 1.84952 A48 1.94042 0.00002 -0.00012 0.00035 0.00023 1.94065 A49 1.94264 0.00004 0.00016 0.00001 0.00017 1.94281 A50 1.90844 -0.00002 -0.00006 -0.00008 -0.00014 1.90829 A51 1.90811 -0.00002 0.00002 -0.00023 -0.00022 1.90789 A52 1.91330 -0.00001 -0.00002 0.00006 0.00004 1.91334 A53 1.85796 0.00007 0.00075 -0.00040 0.00036 1.85831 A54 1.93783 0.00001 0.00005 -0.00008 -0.00003 1.93780 A55 1.93185 -0.00001 -0.00014 0.00030 0.00016 1.93201 A56 1.91016 -0.00000 -0.00023 0.00038 0.00015 1.91032 A57 1.91232 -0.00004 -0.00029 -0.00013 -0.00043 1.91189 A58 1.91289 -0.00002 -0.00013 -0.00007 -0.00020 1.91268 D1 -3.12267 -0.00001 0.00401 -0.03041 -0.02640 3.13411 D2 1.07906 -0.00003 0.00402 -0.03074 -0.02673 1.05233 D3 -1.04978 -0.00004 0.00389 -0.03119 -0.02731 -1.07709 D4 -1.43508 0.00015 0.00509 0.00648 0.01157 -1.42351 D5 2.71793 0.00016 0.00609 0.00577 0.01186 2.72979 D6 0.41439 0.00008 0.00622 0.00556 0.01178 0.42617 D7 0.61430 -0.00006 -0.00242 0.00486 0.00244 0.61674 D8 -1.40384 -0.00002 -0.00248 0.00440 0.00191 -1.40193 D9 2.86528 0.00008 -0.00152 0.00458 0.00306 2.86834 D10 2.81284 -0.00000 -0.00290 0.00568 0.00278 2.81563 D11 0.79470 0.00003 -0.00296 0.00521 0.00225 0.79695 D12 -1.21936 0.00014 -0.00199 0.00539 0.00340 -1.21596 D13 -1.27025 -0.00005 -0.00275 0.00522 0.00247 -1.26778 D14 2.99479 -0.00002 -0.00281 0.00475 0.00194 2.99673 D15 0.98073 0.00009 -0.00184 0.00493 0.00309 0.98382 D16 2.85440 0.00005 0.00325 0.00354 0.00679 2.86118 D17 -1.54830 0.00030 0.00464 0.00492 0.00956 -1.53875 D18 0.56429 0.00004 0.00378 0.00365 0.00743 0.57172 D19 1.73074 0.00014 -0.00023 0.00818 0.00794 1.73868 D20 -1.39386 0.00011 -0.00103 0.00638 0.00535 -1.38851 D21 -0.27262 -0.00001 -0.00164 0.00742 0.00578 -0.26684 D22 2.88596 -0.00004 -0.00244 0.00562 0.00319 2.88915 D23 -2.58787 -0.00010 -0.00138 0.00672 0.00535 -2.58253 D24 0.57071 -0.00013 -0.00217 0.00492 0.00276 0.57346 D25 1.29876 0.00004 -0.00693 0.04343 0.03650 1.33526 D26 -2.90405 0.00003 -0.00678 0.04368 0.03690 -2.86714 D27 -0.82392 0.00008 -0.00717 0.04473 0.03757 -0.78635 D28 -3.12900 -0.00003 -0.00075 -0.00125 -0.00200 -3.13099 D29 0.02852 -0.00003 -0.00086 -0.00138 -0.00224 0.02628 D30 -0.00460 -0.00000 0.00004 0.00057 0.00062 -0.00399 D31 -3.13027 -0.00000 -0.00007 0.00044 0.00037 -3.12990 D32 3.12220 0.00005 0.00090 0.00143 0.00233 3.12454 D33 -0.03109 0.00002 0.00111 0.00115 0.00226 -0.02883 D34 -0.00222 0.00002 0.00010 -0.00039 -0.00028 -0.00250 D35 3.12767 -0.00001 0.00031 -0.00067 -0.00036 3.12731 D36 0.00840 -0.00001 -0.00032 -0.00023 -0.00055 0.00785 D37 -3.12980 -0.00001 -0.00034 -0.00004 -0.00037 -3.13018 D38 3.13405 -0.00001 -0.00020 -0.00010 -0.00030 3.13375 D39 -0.00415 -0.00001 -0.00022 0.00010 -0.00012 -0.00428 D40 -0.00544 0.00001 0.00044 -0.00028 0.00016 -0.00528 D41 3.13571 -0.00001 -0.00044 0.00062 0.00018 3.13589 D42 3.13271 0.00001 0.00046 -0.00048 -0.00002 3.13269 D43 -0.00933 -0.00001 -0.00043 0.00042 -0.00000 -0.00933 D44 -0.00140 -0.00000 -0.00029 0.00047 0.00018 -0.00123 D45 -3.10387 0.00002 -0.00063 0.00090 0.00027 -3.10360 D46 3.14059 0.00002 0.00052 -0.00036 0.00016 3.14075 D47 0.03813 0.00004 0.00018 0.00007 0.00025 0.03838 D48 0.05694 -0.00004 -0.00035 0.00118 0.00083 0.05778 D49 -3.08507 -0.00007 -0.00120 0.00205 0.00085 -3.08422 D50 0.00520 -0.00001 0.00002 -0.00014 -0.00012 0.00508 D51 -3.12489 0.00001 -0.00019 0.00014 -0.00005 -3.12494 D52 3.10765 -0.00002 0.00034 -0.00052 -0.00018 3.10746 D53 -0.02244 -0.00000 0.00013 -0.00025 -0.00011 -0.02256 D54 -1.46741 0.00003 0.00211 -0.00069 0.00142 -1.46599 D55 1.71338 0.00005 0.00178 -0.00026 0.00152 1.71490 D56 3.10879 -0.00000 0.00041 -0.00131 -0.00090 3.10790 D57 1.03685 0.00002 0.00053 -0.00133 -0.00079 1.03605 D58 -1.10164 -0.00001 0.00053 -0.00166 -0.00112 -1.10277 D59 -3.12552 0.00005 -0.00557 0.01820 0.01263 -3.11290 D60 1.08003 0.00001 -0.00578 0.01803 0.01225 1.09228 D61 -1.04859 0.00004 -0.00555 0.01797 0.01242 -1.03617 Item Value Threshold Converged? Maximum Force 0.000840 0.000450 NO RMS Force 0.000146 0.000300 YES Maximum Displacement 0.087864 0.001800 NO RMS Displacement 0.016028 0.001200 NO Predicted change in Energy=-9.027491D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.659263 -0.616891 -1.232632 2 1 0 -0.070331 -0.230114 -1.925032 3 1 0 0.743363 0.027091 -0.372831 4 1 0 0.397824 -1.620425 -0.936118 5 8 0 1.898439 -0.637805 -1.950825 6 15 0 3.282579 -1.102559 -1.408542 7 16 0 4.015701 0.595432 -0.327960 8 8 0 4.251959 -1.536021 -2.391112 9 8 0 2.927213 -2.084918 -0.242408 10 6 0 3.869432 -3.006033 0.328535 11 1 0 4.539604 -2.469569 0.980043 12 1 0 3.283365 -3.717661 0.886683 13 1 0 4.416427 -3.501538 -0.458373 14 8 0 2.879529 1.234785 0.290109 15 6 0 4.675773 1.683660 -1.534913 16 8 0 5.091095 0.082136 0.483375 17 6 0 3.929244 2.759568 -1.966864 18 6 0 4.449448 3.610923 -2.930815 19 6 0 5.708124 3.375705 -3.462972 20 6 0 6.459763 2.273428 -3.017382 21 6 0 5.945079 1.439203 -2.059282 22 1 0 3.866882 4.450784 -3.253213 23 8 0 6.288488 4.135117 -4.397807 24 8 0 7.707221 2.062808 -3.500396 25 1 0 6.533374 0.610805 -1.715997 26 1 0 2.958830 2.944579 -1.549333 27 6 0 5.650187 5.296637 -4.857902 28 6 0 7.780142 1.371547 -4.727643 29 1 0 6.325148 5.743577 -5.571042 30 1 0 5.472120 5.993326 -4.046829 31 1 0 4.712517 5.062662 -5.349493 32 1 0 8.830166 1.261437 -4.955210 33 1 0 7.296591 1.931477 -5.518284 34 1 0 7.322443 0.391847 -4.643534 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077647 0.000000 3 H 1.077517 1.771322 0.000000 4 H 1.078588 1.769205 1.775105 0.000000 5 O 1.432409 2.010704 2.065515 2.060829 0.000000 6 P 2.673687 3.502846 2.965877 2.968700 1.557534 7 S 3.681553 4.464059 3.321629 4.285897 2.938939 8 O 3.885144 4.539253 4.339012 4.120496 2.557285 9 O 2.877367 3.905994 3.040854 2.663605 2.463981 10 C 4.295396 5.320341 4.411809 3.946051 3.832598 11 H 4.835844 5.891190 4.740783 4.641881 4.349839 12 H 4.581722 5.596070 4.696930 4.005914 4.410781 13 H 4.799681 5.743196 5.094108 4.462734 4.094954 14 O 3.267571 3.969188 2.541893 3.976772 3.080733 15 C 4.638562 5.132273 4.422500 5.438417 3.643592 16 O 4.803587 5.704230 4.431579 5.190420 4.078811 17 C 4.757346 4.993651 4.489678 5.719939 3.958101 18 C 5.926528 6.016109 5.755189 6.910967 5.051704 19 C 6.812212 6.982674 6.738772 7.716579 5.736597 20 C 6.721984 7.078353 6.687071 7.499390 5.515297 21 C 5.731555 6.244182 5.647657 6.433883 4.549837 22 H 6.328735 6.259115 6.133681 7.366334 5.609342 23 O 8.017985 8.099657 7.989038 8.933615 6.931164 24 O 7.873833 8.260120 7.900705 8.577238 6.590632 25 H 6.020470 6.660313 5.972357 6.575072 4.805913 26 H 4.251162 4.404049 3.847622 5.270109 3.757539 27 C 8.545274 8.477678 8.482977 9.529609 7.598967 28 C 8.177768 8.488220 8.383806 8.821914 6.807543 29 H 9.559268 9.480534 9.531838 10.528258 8.568766 30 H 8.647443 8.599535 8.453128 9.664068 7.818972 31 H 8.101526 7.913030 8.116547 9.097148 7.208696 32 H 9.173295 9.519745 9.376470 9.775613 7.789884 33 H 8.301513 8.476761 8.546764 9.011395 6.961898 34 H 7.553130 7.901278 7.852149 8.108299 6.142531 6 7 8 9 10 6 P 0.000000 7 S 2.142032 0.000000 8 O 1.446731 2.975821 0.000000 9 O 1.565625 2.894201 2.583248 0.000000 10 C 2.642924 3.663732 3.115083 1.436038 0.000000 11 H 3.025585 3.373363 3.509834 2.059647 1.077677 12 H 3.479485 4.540313 4.054832 2.016814 1.077690 13 H 2.818427 4.118587 2.761483 2.066691 1.078867 14 O 2.917369 1.442798 4.092661 3.362480 4.354988 15 C 3.117687 1.754044 3.358428 4.350886 5.110366 16 O 2.872905 1.441600 3.403712 3.147263 3.324639 17 C 3.955493 2.716057 4.328535 5.238974 6.206012 18 C 5.088792 4.007015 5.178930 6.479763 7.398911 19 C 5.491702 4.519127 5.233961 6.922709 7.647411 20 C 4.907153 4.002762 4.447305 6.258959 6.765922 21 C 3.738037 2.726156 3.439291 4.982767 5.456199 22 H 5.880803 4.841796 6.060803 7.256950 8.272427 23 O 6.738282 5.853083 6.351069 8.200874 8.898661 24 O 5.828624 5.083785 5.110863 7.118047 7.421758 25 H 3.687521 2.874989 3.204606 4.737382 4.935405 26 H 4.062507 2.850828 4.738835 5.196623 6.305979 27 C 7.645479 6.730026 7.397656 9.121662 9.950103 28 C 6.112749 5.842138 5.134336 7.457573 7.747374 29 H 8.570484 7.702392 8.209909 10.061095 10.834723 30 H 7.880751 6.714790 7.805208 9.284837 10.134145 31 H 7.455586 6.757032 7.246154 8.964236 9.902254 32 H 6.995931 6.710743 5.946457 8.261564 8.410598 33 H 6.496741 6.284005 5.574274 7.940892 8.385090 34 H 5.386921 5.440604 4.268249 6.694947 6.941927 11 12 13 14 15 11 H 0.000000 12 H 1.773297 0.000000 13 H 1.774591 1.771923 0.000000 14 O 4.117535 5.004568 5.035378 0.000000 15 C 4.857247 6.080887 5.302120 2.599747 0.000000 16 O 2.657446 4.227174 3.766269 2.501394 2.609762 17 C 6.033297 7.107347 6.458664 2.919039 1.378936 18 C 7.230167 8.345128 7.530017 4.299421 2.390420 19 C 7.434584 8.666879 7.615285 5.164310 2.765172 20 C 6.493261 7.824600 6.638824 4.983608 2.393358 21 C 5.146975 6.508200 5.413927 3.867689 1.394941 22 H 8.140288 9.176204 8.447044 4.885964 3.356164 23 O 8.694926 9.930897 8.794445 6.481472 4.099592 24 O 7.116921 8.498869 7.144591 6.193558 3.632707 25 H 4.553290 6.006006 4.793167 4.214783 2.152787 26 H 6.181391 7.101052 6.698299 2.512614 2.130263 27 C 9.779005 10.948044 9.913925 7.118792 5.004532 28 C 7.604797 8.811452 7.299877 7.015164 4.464084 29 H 10.656484 11.851990 10.735676 8.158099 5.957659 30 H 9.887347 11.110061 10.205095 6.940769 5.051447 31 H 9.840093 10.863997 9.866927 7.058158 5.096080 32 H 8.219279 9.470276 7.898644 7.932474 5.397748 33 H 8.318560 9.436225 7.963398 7.330296 4.774657 34 H 6.896123 7.986583 6.412406 6.692597 4.282192 16 17 18 19 20 16 O 0.000000 17 C 3.810802 0.000000 18 C 4.951842 1.387306 0.000000 19 C 5.177062 2.404658 1.386645 0.000000 20 C 4.350898 2.782705 2.416144 1.406600 0.000000 21 C 3.005998 2.411534 2.777202 2.403442 1.370689 22 H 5.877574 2.125746 1.071770 2.142421 3.394043 23 O 6.456496 3.656180 2.410169 1.336954 2.323961 24 O 5.161164 4.136461 3.651598 2.391963 1.354185 25 H 2.682704 3.385500 3.849577 3.373075 2.112662 26 H 4.107558 1.072504 2.138796 3.377351 3.855145 27 C 7.485509 4.213842 2.827910 2.374693 3.630801 28 C 6.004020 4.937399 4.397376 3.147903 2.341320 29 H 8.380380 5.256878 3.877791 3.229783 4.310595 30 H 7.457218 4.142936 2.822622 2.692309 3.984073 31 H 7.679278 4.166526 2.833153 2.719563 4.033787 32 H 6.704447 5.932422 5.367396 4.055125 3.224610 33 H 6.656139 4.963601 4.197828 2.972091 2.659271 34 H 5.600003 4.927927 4.642193 3.592097 2.632287 21 22 23 24 25 21 C 0.000000 22 H 3.848896 0.000000 23 O 3.585329 2.697020 0.000000 24 O 2.360263 4.528989 2.666949 0.000000 25 H 1.072464 4.921245 4.435409 2.582694 0.000000 26 H 3.382882 2.448759 4.540683 5.208780 4.272195 27 C 4.774833 2.543751 1.402941 4.065939 5.710395 28 C 3.239164 5.193192 3.157711 1.410423 3.347113 29 H 5.568173 3.617557 1.991222 4.443621 6.422623 30 H 4.991400 2.363483 2.059753 4.554475 5.960753 31 H 5.047193 2.341769 2.061487 4.624559 6.028005 32 H 4.091665 6.140270 3.876708 2.004914 4.023813 33 H 3.746147 4.820825 2.669788 2.063428 4.096836 34 H 3.110056 5.508980 3.891210 2.060808 3.039909 26 27 28 29 30 26 H 0.000000 27 C 4.870545 0.000000 28 C 5.985075 4.467661 0.000000 29 H 5.944798 1.078840 4.684332 0.000000 30 H 4.674288 1.083940 5.210692 1.764443 0.000000 31 H 4.690726 1.084265 4.839561 1.764457 1.772023 32 H 6.993250 5.138537 1.080028 5.171454 5.873023 33 H 5.966164 3.804083 1.082800 3.934283 4.689615 34 H 5.927195 5.186459 1.084608 5.522307 5.929277 31 32 33 34 31 H 0.000000 32 H 5.617811 0.000000 33 H 4.063280 1.765746 0.000000 34 H 5.396907 1.768207 1.770965 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.307565 2.108880 1.361076 2 1 0 3.045822 2.869635 2.078060 3 1 0 3.258017 2.500836 0.358600 4 1 0 4.290714 1.718777 1.572239 5 8 0 2.334883 1.070817 1.528738 6 15 0 2.247356 -0.262826 0.728958 7 16 0 1.251896 0.283232 -1.087406 8 8 0 1.561327 -1.361689 1.373081 9 8 0 3.709464 -0.503278 0.223382 10 6 0 4.175622 -1.768277 -0.271271 11 1 0 3.801684 -1.917791 -1.270872 12 1 0 5.251456 -1.705056 -0.272128 13 1 0 3.844161 -2.559378 0.383134 14 8 0 1.690142 1.613314 -1.434524 15 6 0 -0.457086 0.346486 -0.697473 16 8 0 1.490537 -0.818301 -1.986231 17 6 0 -1.057474 1.562981 -0.450214 18 6 0 -2.406495 1.608050 -0.129701 19 6 0 -3.143747 0.436383 -0.049441 20 6 0 -2.520498 -0.799349 -0.300539 21 6 0 -1.189191 -0.838647 -0.624369 22 1 0 -2.867654 2.558583 0.050606 23 8 0 -4.443655 0.379788 0.257939 24 8 0 -3.244066 -1.943532 -0.267218 25 1 0 -0.728157 -1.785123 -0.828842 26 1 0 -0.487899 2.469088 -0.519636 27 6 0 -5.172247 1.561869 0.458142 28 6 0 -3.428680 -2.514440 1.009212 29 1 0 -6.187356 1.254919 0.656211 30 1 0 -5.152826 2.188618 -0.426015 31 1 0 -4.793781 2.118988 1.307855 32 1 0 -3.992626 -3.423302 0.859556 33 1 0 -3.984497 -1.847600 1.656397 34 1 0 -2.473402 -2.751097 1.465077 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6169977 0.1844450 0.1696924 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.3110677202 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.55D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999999 -0.001643 0.000130 -0.000241 Ang= -0.19 deg. ExpMin= 9.98D-02 ExpMax= 2.19D+04 ExpMxC= 3.30D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1649.62376063 A.U. after 11 cycles NFock= 11 Conv=0.59D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000010389 0.000043323 0.000059045 2 1 -0.000001939 0.000004169 -0.000004202 3 1 -0.000013951 -0.000009752 -0.000016407 4 1 0.000004385 -0.000000132 0.000002315 5 8 -0.000011035 -0.000092203 -0.000085960 6 15 0.000093192 0.000220799 0.000228822 7 16 -0.000332359 -0.000506203 0.000220417 8 8 -0.000005110 0.000055935 0.000010468 9 8 -0.000013708 -0.000083036 -0.000125645 10 6 -0.000031441 0.000095244 0.000073793 11 1 0.000008803 -0.000026497 -0.000001457 12 1 0.000011521 -0.000018290 -0.000008926 13 1 0.000011129 -0.000004884 0.000004899 14 8 0.000084291 0.000053199 -0.000006665 15 6 0.000309955 0.000322438 -0.000393997 16 8 0.000045625 -0.000033981 -0.000034897 17 6 -0.000004120 0.000026676 -0.000068986 18 6 -0.000041528 -0.000028341 0.000086027 19 6 0.000187182 0.000263826 -0.000264711 20 6 0.000005850 0.000076426 -0.000130777 21 6 -0.000127292 -0.000054775 0.000154837 22 1 0.000001196 -0.000000721 -0.000010651 23 8 -0.000178488 -0.000203561 0.000345616 24 8 0.000007378 -0.000123831 0.000065951 25 1 0.000004511 0.000002153 -0.000021223 26 1 0.000003359 0.000004175 -0.000008406 27 6 -0.000024335 -0.000037890 -0.000046761 28 6 0.000002922 0.000055085 -0.000021165 29 1 0.000001442 0.000011740 -0.000006238 30 1 0.000006288 -0.000000420 0.000000410 31 1 -0.000015026 0.000007601 -0.000000633 32 1 0.000002261 0.000002715 -0.000007356 33 1 0.000004965 -0.000001472 0.000003696 34 1 0.000014465 -0.000019515 0.000008767 ------------------------------------------------------------------- Cartesian Forces: Max 0.000506203 RMS 0.000118755 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000465300 RMS 0.000064564 Search for a local minimum. Step number 24 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 18 19 20 21 22 23 24 DE= -1.75D-05 DEPred=-9.03D-06 R= 1.94D+00 TightC=F SS= 1.41D+00 RLast= 8.75D-02 DXNew= 5.0454D+00 2.6264D-01 Trust test= 1.94D+00 RLast= 8.75D-02 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 ITU= 1 0 1 0 Eigenvalues --- 0.00125 0.00399 0.00593 0.00694 0.00842 Eigenvalues --- 0.01566 0.01813 0.01866 0.01976 0.02070 Eigenvalues --- 0.02516 0.02684 0.02737 0.02759 0.02844 Eigenvalues --- 0.03012 0.03377 0.04412 0.04990 0.09851 Eigenvalues --- 0.09996 0.10145 0.10253 0.10452 0.10488 Eigenvalues --- 0.10564 0.10594 0.10888 0.11053 0.11393 Eigenvalues --- 0.11755 0.13592 0.15732 0.15818 0.15887 Eigenvalues --- 0.15987 0.15998 0.16006 0.16009 0.16015 Eigenvalues --- 0.16052 0.16060 0.16114 0.16235 0.16319 Eigenvalues --- 0.16378 0.16695 0.17963 0.19079 0.20035 Eigenvalues --- 0.21459 0.22281 0.23206 0.24087 0.24655 Eigenvalues --- 0.24889 0.24976 0.25584 0.25972 0.26361 Eigenvalues --- 0.29259 0.32342 0.32930 0.33462 0.33486 Eigenvalues --- 0.33580 0.33762 0.33831 0.34283 0.34801 Eigenvalues --- 0.34842 0.34883 0.34906 0.34938 0.35345 Eigenvalues --- 0.36954 0.38530 0.38849 0.39300 0.39816 Eigenvalues --- 0.40045 0.42304 0.45050 0.45326 0.47509 Eigenvalues --- 0.47716 0.48775 0.50992 0.52995 0.58385 Eigenvalues --- 0.60299 0.70450 0.72579 0.76738 0.87429 Eigenvalues --- 1.29872 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 24 23 22 21 20 19 18 17 16 RFO step: Lambda=-3.15225177D-06. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. RFO-DIIS uses 6 points instead of 9 DidBck=F Rises=F RFO-DIIS coefs: 1.21348 -0.01768 -0.96119 0.77147 0.06206 RFO-DIIS coefs: -0.06813 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00299924 RMS(Int)= 0.00000726 Iteration 2 RMS(Cart)= 0.00000882 RMS(Int)= 0.00000041 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000041 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03646 0.00001 0.00003 -0.00001 0.00002 2.03648 R2 2.03621 -0.00002 -0.00005 -0.00002 -0.00007 2.03614 R3 2.03824 -0.00000 -0.00002 0.00002 -0.00001 2.03823 R4 2.70686 0.00004 0.00038 -0.00005 0.00033 2.70719 R5 2.94331 0.00003 0.00042 -0.00025 0.00016 2.94348 R6 4.04785 -0.00023 -0.00134 0.00006 -0.00128 4.04658 R7 2.73392 -0.00003 -0.00007 0.00001 -0.00006 2.73387 R8 2.95860 -0.00002 -0.00004 -0.00007 -0.00011 2.95849 R9 2.72649 -0.00005 -0.00017 0.00005 -0.00011 2.72638 R10 3.31466 0.00047 0.00087 0.00031 0.00118 3.31584 R11 2.72423 0.00003 -0.00004 0.00006 0.00003 2.72425 R12 2.71372 -0.00000 -0.00035 0.00022 -0.00014 2.71358 R13 2.03651 -0.00001 0.00000 -0.00006 -0.00006 2.03645 R14 2.03654 0.00000 0.00005 -0.00003 0.00002 2.03656 R15 2.03876 0.00000 0.00004 -0.00001 0.00003 2.03879 R16 2.60581 0.00001 0.00002 0.00005 0.00007 2.60588 R17 2.63606 -0.00014 -0.00046 -0.00002 -0.00048 2.63557 R18 2.62163 -0.00009 -0.00033 0.00004 -0.00029 2.62134 R19 2.02674 -0.00001 0.00000 -0.00001 -0.00001 2.02673 R20 2.62038 0.00001 0.00010 -0.00000 0.00010 2.62048 R21 2.02535 0.00000 -0.00002 0.00002 -0.00000 2.02535 R22 2.65809 0.00005 -0.00028 0.00016 -0.00013 2.65796 R23 2.52648 -0.00042 0.00013 -0.00024 -0.00011 2.52637 R24 2.59023 0.00006 0.00022 0.00004 0.00026 2.59049 R25 2.55904 0.00003 0.00002 -0.00005 -0.00003 2.55901 R26 2.02666 -0.00001 0.00001 -0.00003 -0.00002 2.02665 R27 2.65117 0.00002 0.00005 -0.00001 0.00004 2.65121 R28 2.66531 -0.00000 -0.00023 0.00015 -0.00008 2.66523 R29 2.03871 0.00001 0.00003 0.00001 0.00004 2.03875 R30 2.04835 -0.00000 0.00001 -0.00002 -0.00000 2.04835 R31 2.04896 0.00001 0.00002 0.00001 0.00003 2.04899 R32 2.04096 0.00000 0.00005 -0.00004 0.00001 2.04097 R33 2.04620 -0.00001 0.00003 -0.00005 -0.00002 2.04617 R34 2.04961 0.00001 0.00012 -0.00003 0.00009 2.04970 A1 1.92947 -0.00001 0.00001 -0.00004 -0.00003 1.92944 A2 1.92459 0.00000 -0.00006 0.00009 0.00003 1.92463 A3 1.84293 -0.00001 -0.00011 0.00004 -0.00007 1.84286 A4 1.93438 -0.00000 0.00013 -0.00008 0.00005 1.93443 A5 1.91908 0.00002 0.00021 -0.00002 0.00019 1.91927 A6 1.91128 -0.00001 -0.00019 0.00001 -0.00019 1.91109 A7 2.21252 -0.00001 -0.00120 0.00031 -0.00089 2.21163 A8 1.81652 0.00013 0.00114 -0.00002 0.00113 1.81764 A9 2.03576 -0.00002 -0.00028 -0.00003 -0.00030 2.03546 A10 1.81815 -0.00005 -0.00023 -0.00013 -0.00036 1.81779 A11 1.92921 -0.00011 -0.00094 -0.00017 -0.00111 1.92810 A12 1.77146 0.00005 0.00021 0.00037 0.00058 1.77205 A13 2.06004 0.00003 0.00029 0.00003 0.00032 2.06036 A14 1.87325 0.00010 0.00099 0.00008 0.00107 1.87432 A15 1.84780 0.00002 0.00016 -0.00002 0.00013 1.84793 A16 1.83069 -0.00005 -0.00085 0.00008 -0.00077 1.82992 A17 1.89250 -0.00006 -0.00030 -0.00008 -0.00038 1.89212 A18 2.09916 0.00002 0.00039 -0.00015 0.00025 2.09941 A19 1.90440 -0.00001 -0.00038 0.00010 -0.00028 1.90412 A20 2.15277 0.00007 0.00042 0.00027 0.00069 2.15346 A21 1.90612 0.00004 0.00000 0.00025 0.00025 1.90638 A22 1.84695 0.00002 0.00015 0.00007 0.00022 1.84717 A23 1.91481 0.00000 0.00009 -0.00005 0.00003 1.91484 A24 1.93241 -0.00001 -0.00002 0.00005 0.00003 1.93244 A25 1.93295 -0.00002 -0.00008 -0.00016 -0.00024 1.93271 A26 1.92858 -0.00002 -0.00013 -0.00014 -0.00027 1.92831 A27 2.08966 -0.00000 0.00009 -0.00013 -0.00004 2.08962 A28 2.08559 -0.00004 -0.00024 0.00007 -0.00018 2.08542 A29 2.10785 0.00005 0.00016 0.00006 0.00023 2.10807 A30 2.08687 0.00000 -0.00010 0.00000 -0.00009 2.08678 A31 2.09728 0.00001 0.00019 -0.00007 0.00012 2.09740 A32 2.09893 -0.00001 -0.00010 0.00006 -0.00003 2.09890 A33 2.09778 0.00000 -0.00000 -0.00000 -0.00001 2.09778 A34 2.07840 0.00001 0.00005 0.00005 0.00010 2.07850 A35 2.10700 -0.00001 -0.00005 -0.00004 -0.00009 2.10691 A36 2.09025 -0.00001 0.00008 -0.00004 0.00004 2.09029 A37 2.17247 -0.00004 0.00004 -0.00011 -0.00007 2.17240 A38 2.02046 0.00005 -0.00012 0.00015 0.00003 2.02049 A39 2.09176 -0.00003 -0.00013 0.00006 -0.00007 2.09169 A40 2.09571 0.00011 0.00008 0.00019 0.00028 2.09599 A41 2.09504 -0.00008 0.00003 -0.00027 -0.00024 2.09480 A42 2.09183 -0.00001 -0.00002 -0.00007 -0.00010 2.09173 A43 2.11085 0.00002 0.00019 0.00003 0.00023 2.11107 A44 2.08045 -0.00001 -0.00017 0.00004 -0.00013 2.08032 A45 2.09680 0.00000 -0.00004 0.00006 0.00002 2.09682 A46 2.01996 0.00008 -0.00024 0.00024 0.00001 2.01997 A47 1.84952 0.00001 -0.00002 0.00010 0.00009 1.84960 A48 1.94065 -0.00001 0.00004 -0.00008 -0.00004 1.94061 A49 1.94281 0.00002 0.00011 -0.00003 0.00008 1.94289 A50 1.90829 -0.00001 -0.00007 -0.00002 -0.00009 1.90820 A51 1.90789 -0.00000 -0.00006 0.00006 -0.00000 1.90789 A52 1.91334 -0.00001 -0.00000 -0.00003 -0.00004 1.91330 A53 1.85831 0.00000 0.00028 -0.00025 0.00003 1.85834 A54 1.93780 0.00000 0.00002 0.00007 0.00009 1.93789 A55 1.93201 -0.00000 -0.00004 0.00001 -0.00003 1.93198 A56 1.91032 -0.00001 -0.00002 -0.00000 -0.00002 1.91029 A57 1.91189 -0.00001 -0.00016 0.00003 -0.00013 1.91176 A58 1.91268 0.00001 -0.00007 0.00013 0.00006 1.91274 D1 3.13411 0.00000 -0.00250 0.00051 -0.00199 3.13213 D2 1.05233 0.00001 -0.00256 0.00054 -0.00201 1.05031 D3 -1.07709 0.00000 -0.00273 0.00065 -0.00208 -1.07917 D4 -1.42351 -0.00002 0.00482 -0.00057 0.00425 -1.41925 D5 2.72979 0.00004 0.00534 -0.00032 0.00501 2.73480 D6 0.42617 0.00006 0.00536 -0.00022 0.00514 0.43131 D7 0.61674 -0.00001 -0.00075 0.00062 -0.00013 0.61661 D8 -1.40193 0.00000 -0.00095 0.00068 -0.00026 -1.40219 D9 2.86834 0.00003 -0.00021 0.00054 0.00033 2.86867 D10 2.81563 -0.00002 -0.00090 0.00048 -0.00042 2.81520 D11 0.79695 -0.00000 -0.00109 0.00054 -0.00056 0.79639 D12 -1.21596 0.00003 -0.00036 0.00040 0.00004 -1.21592 D13 -1.26778 -0.00001 -0.00092 0.00064 -0.00027 -1.26805 D14 2.99673 0.00000 -0.00111 0.00071 -0.00040 2.99633 D15 0.98382 0.00003 -0.00037 0.00057 0.00019 0.98401 D16 2.86118 -0.00001 0.00278 0.00077 0.00355 2.86473 D17 -1.53875 0.00013 0.00401 0.00083 0.00485 -1.53390 D18 0.57172 0.00004 0.00314 0.00091 0.00405 0.57577 D19 1.73868 0.00004 0.00116 -0.00032 0.00085 1.73953 D20 -1.38851 0.00003 0.00036 -0.00029 0.00007 -1.38844 D21 -0.26684 -0.00006 0.00008 -0.00036 -0.00028 -0.26712 D22 2.88915 -0.00006 -0.00073 -0.00033 -0.00106 2.88809 D23 -2.58253 -0.00002 0.00009 -0.00018 -0.00010 -2.58263 D24 0.57346 -0.00002 -0.00072 -0.00016 -0.00088 0.57259 D25 1.33526 0.00001 0.00266 0.00041 0.00307 1.33832 D26 -2.86714 0.00002 0.00272 0.00063 0.00336 -2.86379 D27 -0.78635 0.00001 0.00270 0.00047 0.00318 -0.78318 D28 -3.13099 -0.00001 -0.00085 -0.00005 -0.00090 -3.13189 D29 0.02628 -0.00001 -0.00084 0.00005 -0.00079 0.02549 D30 -0.00399 -0.00001 -0.00004 -0.00008 -0.00011 -0.00410 D31 -3.12990 -0.00001 -0.00003 0.00002 -0.00000 -3.12990 D32 3.12454 0.00001 0.00092 0.00001 0.00093 3.12547 D33 -0.02883 0.00001 0.00079 0.00009 0.00088 -0.02795 D34 -0.00250 0.00001 0.00011 0.00004 0.00015 -0.00235 D35 3.12731 0.00001 -0.00002 0.00013 0.00010 3.12742 D36 0.00785 -0.00000 -0.00013 -0.00002 -0.00015 0.00770 D37 -3.13018 -0.00001 -0.00018 0.00002 -0.00016 -3.13033 D38 3.13375 -0.00000 -0.00014 -0.00012 -0.00026 3.13349 D39 -0.00428 -0.00001 -0.00019 -0.00008 -0.00026 -0.00454 D40 -0.00528 0.00001 0.00022 0.00015 0.00037 -0.00491 D41 3.13589 -0.00002 -0.00029 0.00001 -0.00028 3.13562 D42 3.13269 0.00001 0.00027 0.00011 0.00037 3.13306 D43 -0.00933 -0.00001 -0.00024 -0.00003 -0.00027 -0.00960 D44 -0.00123 -0.00001 -0.00014 -0.00018 -0.00033 -0.00156 D45 -3.10360 0.00001 0.00027 0.00030 0.00056 -3.10304 D46 3.14075 0.00002 0.00032 -0.00006 0.00026 3.14101 D47 0.03838 0.00003 0.00073 0.00042 0.00115 0.03953 D48 0.05778 -0.00004 -0.00006 -0.00098 -0.00104 0.05674 D49 -3.08422 -0.00007 -0.00055 -0.00111 -0.00166 -3.08588 D50 0.00508 -0.00000 -0.00002 0.00009 0.00007 0.00515 D51 -3.12494 0.00000 0.00011 0.00001 0.00012 -3.12483 D52 3.10746 -0.00001 -0.00043 -0.00038 -0.00081 3.10666 D53 -0.02256 -0.00001 -0.00030 -0.00046 -0.00076 -0.02332 D54 -1.46599 0.00003 0.00112 0.00077 0.00189 -1.46410 D55 1.71490 0.00004 0.00153 0.00125 0.00278 1.71768 D56 3.10790 -0.00000 0.00004 0.00089 0.00093 3.10882 D57 1.03605 0.00001 0.00012 0.00089 0.00100 1.03706 D58 -1.10277 0.00001 0.00001 0.00101 0.00102 -1.10174 D59 -3.11290 -0.00001 -0.00036 -0.00052 -0.00088 -3.11377 D60 1.09228 -0.00001 -0.00052 -0.00040 -0.00092 1.09136 D61 -1.03617 -0.00003 -0.00041 -0.00062 -0.00103 -1.03720 Item Value Threshold Converged? Maximum Force 0.000465 0.000450 NO RMS Force 0.000065 0.000300 YES Maximum Displacement 0.012763 0.001800 NO RMS Displacement 0.002999 0.001200 NO Predicted change in Energy=-1.444188D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.658908 -0.616478 -1.231555 2 1 0 -0.071455 -0.230384 -1.923543 3 1 0 0.745262 0.029326 -0.373391 4 1 0 0.396869 -1.619057 -0.932364 5 8 0 1.896849 -0.640665 -1.952120 6 15 0 3.281400 -1.103910 -1.409344 7 16 0 4.014519 0.593502 -0.329189 8 8 0 4.251387 -1.535912 -2.391912 9 8 0 2.926195 -2.086975 -0.243835 10 6 0 3.869330 -3.004661 0.330924 11 1 0 4.533713 -2.466384 0.986797 12 1 0 3.283584 -3.719918 0.884773 13 1 0 4.422846 -3.496621 -0.453664 14 8 0 2.879437 1.233986 0.289568 15 6 0 4.675046 1.682110 -1.536454 16 8 0 5.090209 0.079238 0.481164 17 6 0 3.929025 2.758726 -1.967628 18 6 0 4.449830 3.610560 -2.930608 19 6 0 5.708663 3.375291 -3.462512 20 6 0 6.459557 2.272200 -3.017894 21 6 0 5.944111 1.437323 -2.060575 22 1 0 3.867761 4.450913 -3.252624 23 8 0 6.289423 4.135078 -4.396716 24 8 0 7.707376 2.061593 -3.499936 25 1 0 6.531956 0.608337 -1.717965 26 1 0 2.958627 2.943919 -1.550153 27 6 0 5.650933 5.296344 -4.857253 28 6 0 7.781079 1.374044 -4.729171 29 1 0 6.325834 5.743272 -5.570487 30 1 0 5.472727 5.993258 -4.046405 31 1 0 4.713290 5.062120 -5.348812 32 1 0 8.831254 1.264172 -4.956187 33 1 0 7.298441 1.936467 -5.518581 34 1 0 7.323016 0.394186 -4.648351 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077657 0.000000 3 H 1.077481 1.771284 0.000000 4 H 1.078584 1.769230 1.775104 0.000000 5 O 1.432584 2.010812 2.065775 2.060847 0.000000 6 P 2.673324 3.502725 2.964695 2.968738 1.557621 7 S 3.679462 4.462727 3.317874 4.283296 2.939660 8 O 3.885575 4.539905 4.337893 4.122439 2.557095 9 O 2.877246 3.905669 3.041707 2.662801 2.463657 10 C 4.295529 5.320622 4.411454 3.946363 3.832942 11 H 4.832945 5.888747 4.736142 4.638386 4.350119 12 H 4.582478 5.596407 4.699242 4.006086 4.410532 13 H 4.802870 5.746963 5.095425 4.467985 4.096647 14 O 3.266310 3.968627 2.538783 3.974433 3.083012 15 C 4.637439 5.131933 4.419006 5.437410 3.645057 16 O 4.801443 5.702741 4.428466 5.187457 4.078809 17 C 4.756835 4.994053 4.486376 5.719518 3.960536 18 C 5.926696 6.017395 5.752254 6.911466 5.054510 19 C 6.812593 6.984202 6.735986 7.717533 5.739261 20 C 6.721830 7.079169 6.684089 7.499833 5.517152 21 C 5.730510 6.243961 5.644207 6.433211 4.550838 22 H 6.329290 6.260864 6.131102 7.367172 5.612483 23 O 8.018618 8.101519 7.986368 8.934988 6.933865 24 O 7.873914 8.261258 7.897875 8.578061 6.592432 25 H 6.019091 6.659635 5.968999 6.574020 4.806147 26 H 4.250487 4.404204 3.844296 5.269252 3.760079 27 C 8.545612 8.479216 8.480101 9.530620 7.601384 28 C 8.180515 8.491645 8.383544 8.826152 6.811405 29 H 9.559644 9.482092 9.528996 10.529421 8.571064 30 H 8.647823 8.601058 8.450351 9.664829 7.821884 31 H 8.101623 7.914344 8.113512 9.098056 7.210521 32 H 9.175891 9.523069 9.376040 9.779724 7.793510 33 H 8.305391 8.481445 8.547182 9.017030 6.966954 34 H 7.556870 7.905243 7.853360 8.113768 6.146859 6 7 8 9 10 6 P 0.000000 7 S 2.141356 0.000000 8 O 1.446701 2.974111 0.000000 9 O 1.565566 2.894251 2.583417 0.000000 10 C 2.643302 3.661093 3.117215 1.435966 0.000000 11 H 3.027559 3.371095 3.515844 2.059738 1.077644 12 H 3.479436 4.540215 4.055021 2.016925 1.077701 13 H 2.818029 4.112338 2.762351 2.066662 1.078881 14 O 2.917813 1.442737 4.092056 3.363850 4.352898 15 C 3.117742 1.754666 3.356629 4.351476 5.109021 16 O 2.871524 1.441613 3.401014 3.146595 3.320173 17 C 3.956142 2.716614 4.327569 5.240033 6.205121 18 C 5.089765 4.007433 5.178393 6.480905 7.398359 19 C 5.492754 4.519534 5.233522 6.923754 7.647032 20 C 4.907773 4.003170 4.446300 6.259589 6.765288 21 C 3.737913 2.726363 3.437328 4.982874 5.454833 22 H 5.881969 4.842275 6.060533 7.258328 8.272085 23 O 6.739406 5.853438 6.350824 8.201931 8.898500 24 O 5.829258 5.083908 5.110149 7.118462 7.421119 25 H 3.686889 2.875136 3.202031 4.737011 4.933688 26 H 4.063118 2.851337 4.738003 5.197828 6.305032 27 C 7.646308 6.730375 7.397051 9.122567 9.949773 28 C 6.116259 5.844319 5.137056 7.461018 7.751090 29 H 8.571324 7.702825 8.209335 10.061985 10.834546 30 H 7.881992 6.715760 7.804961 9.286255 10.133826 31 H 7.455847 6.756734 7.245042 8.964600 9.901748 32 H 6.999199 6.712663 5.949046 8.264754 8.414105 33 H 6.501257 6.286294 5.578352 7.945286 8.389890 34 H 5.391672 5.444359 4.272201 6.699848 6.947899 11 12 13 14 15 11 H 0.000000 12 H 1.773296 0.000000 13 H 1.774431 1.771777 0.000000 14 O 4.112845 5.005873 5.031217 0.000000 15 C 4.857650 6.081152 5.296724 2.599881 0.000000 16 O 2.654344 4.226154 3.755801 2.501533 2.610046 17 C 6.032914 7.108137 6.454867 2.919144 1.378971 18 C 7.230653 8.345848 7.526487 4.299276 2.390253 19 C 7.436533 8.667289 7.611154 5.164089 2.764946 20 C 6.496198 7.824518 6.633457 4.983417 2.393188 21 C 5.149235 6.507735 5.407421 3.867395 1.394686 22 H 8.140342 9.177243 8.444263 4.885952 3.356072 23 O 8.697358 9.931272 8.790597 6.481173 4.099313 24 O 7.120778 8.498322 7.138743 6.193083 3.632396 25 H 4.556601 6.004994 4.785131 4.214561 2.152684 26 H 6.179676 7.102196 6.695280 2.512910 2.130362 27 C 9.780647 10.948433 9.910400 7.118548 5.004274 28 C 7.613577 8.814322 7.299388 7.016656 4.464951 29 H 10.658711 11.852326 10.732141 8.157914 5.957480 30 H 9.888397 11.111014 10.201364 6.940928 5.051945 31 H 9.841268 10.863969 9.864019 7.057546 5.095097 32 H 8.228302 9.472835 7.897589 7.933661 5.398454 33 H 8.327590 9.440165 7.964978 7.331826 4.775378 34 H 6.907819 7.991141 6.414419 6.695798 4.284204 16 17 18 19 20 16 O 0.000000 17 C 3.811114 0.000000 18 C 4.951820 1.387152 0.000000 19 C 5.176779 2.404566 1.386699 0.000000 20 C 4.350587 2.782688 2.416160 1.406534 0.000000 21 C 3.005658 2.411496 2.777192 2.403453 1.370826 22 H 5.877677 2.125667 1.071769 2.142413 3.394008 23 O 6.456135 3.655994 2.410123 1.336898 2.323879 24 O 5.160277 4.136411 3.651718 2.392083 1.354169 25 H 2.682303 3.385521 3.849558 3.373024 2.112699 26 H 4.108076 1.072499 2.138633 3.377261 3.855123 27 C 7.485407 4.213598 2.827805 2.374675 3.630780 28 C 6.005406 4.937791 4.397051 3.147114 2.341277 29 H 8.380366 5.256691 3.877733 3.229828 4.310679 30 H 7.457938 4.143250 2.822865 2.692646 3.984713 31 H 7.678529 4.165705 2.832692 2.719244 4.033148 32 H 6.705540 5.932707 5.367065 4.054438 3.224601 33 H 6.657517 4.963701 4.196996 2.970695 2.658924 34 H 5.603262 4.929148 4.642295 3.591565 2.632658 21 22 23 24 25 21 C 0.000000 22 H 3.848887 0.000000 23 O 3.585342 2.696877 0.000000 24 O 2.360207 4.529090 2.667236 0.000000 25 H 1.072455 4.921229 4.435362 2.582438 0.000000 26 H 3.382820 2.448665 4.540482 5.208720 4.272210 27 C 4.774873 2.543481 1.402962 4.066311 5.710407 28 C 3.240349 5.192434 3.155769 1.410381 3.348727 29 H 5.568338 3.617292 1.991319 4.444165 6.422769 30 H 4.992221 2.363225 2.059743 4.555247 5.961625 31 H 5.046442 2.341474 2.061575 4.624507 6.027170 32 H 4.092694 6.139520 3.875050 2.004906 4.025291 33 H 3.747153 4.819394 2.666568 2.063447 4.098305 34 H 3.112250 5.508527 3.889204 2.060785 3.042827 26 27 28 29 30 26 H 0.000000 27 C 4.870249 0.000000 28 C 5.985541 4.465240 0.000000 29 H 5.944538 1.078859 4.681422 0.000000 30 H 4.674445 1.083938 5.208819 1.764401 0.000000 31 H 4.689928 1.084281 4.837065 1.764485 1.772012 32 H 6.993594 5.136403 1.080035 5.168833 5.871257 33 H 5.966352 3.800054 1.082787 3.929430 4.685945 34 H 5.928563 5.183691 1.084654 5.518825 5.927522 31 32 33 34 31 H 0.000000 32 H 5.615710 0.000000 33 H 4.059745 1.765725 0.000000 34 H 5.393600 1.768168 1.771026 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.308018 2.109528 1.358425 2 1 0 3.047559 2.870733 2.075413 3 1 0 3.255186 2.500455 0.355753 4 1 0 4.292132 1.720563 1.567160 5 8 0 2.336858 1.070465 1.530158 6 15 0 2.248004 -0.262736 0.729619 7 16 0 1.252619 0.282621 -1.086200 8 8 0 1.560536 -1.360887 1.373354 9 8 0 3.710104 -0.504183 0.224677 10 6 0 4.175097 -1.767732 -0.274548 11 1 0 3.804886 -1.911475 -1.276345 12 1 0 5.251106 -1.707490 -0.270652 13 1 0 3.839037 -2.561376 0.374433 14 8 0 1.690076 1.612423 -1.435127 15 6 0 -0.456961 0.346129 -0.696130 16 8 0 1.490990 -0.820092 -1.983669 17 6 0 -1.057459 1.562887 -0.450240 18 6 0 -2.406572 1.608168 -0.130812 19 6 0 -3.143930 0.436515 -0.050409 20 6 0 -2.520481 -0.799378 -0.299842 21 6 0 -1.188785 -0.838852 -0.622626 22 1 0 -2.867940 2.558768 0.048602 23 8 0 -4.443948 0.380190 0.256311 24 8 0 -3.243934 -1.943633 -0.267101 25 1 0 -0.727650 -1.785519 -0.825940 26 1 0 -0.487899 2.468972 -0.519994 27 6 0 -5.172268 1.562412 0.456820 28 6 0 -3.432504 -2.512643 1.009552 29 1 0 -6.187417 1.255724 0.655193 30 1 0 -5.153041 2.189151 -0.427346 31 1 0 -4.793432 2.119522 1.306395 32 1 0 -3.996583 -3.421380 0.859590 33 1 0 -3.989695 -1.844629 1.654318 34 1 0 -2.478614 -2.749390 1.468375 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6172903 0.1844108 0.1696559 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.3470733891 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.55D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000176 0.000025 0.000077 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) = -1649.62376287 A.U. after 9 cycles NFock= 9 Conv=0.87D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000004878 0.000004321 -0.000042999 2 1 0.000002944 -0.000002066 -0.000001126 3 1 -0.000005209 -0.000000673 -0.000006122 4 1 -0.000001236 0.000003095 0.000003978 5 8 -0.000014326 -0.000024052 0.000076966 6 15 -0.000023275 0.000008149 -0.000021029 7 16 -0.000035361 -0.000087651 0.000058643 8 8 0.000006645 0.000003694 -0.000002454 9 8 -0.000017203 -0.000009433 -0.000035699 10 6 0.000026529 -0.000015202 0.000049271 11 1 -0.000008534 0.000010347 -0.000005842 12 1 -0.000012418 0.000000068 -0.000016396 13 1 0.000006384 0.000001124 -0.000007490 14 8 -0.000002985 0.000017073 0.000053892 15 6 0.000060663 0.000112969 -0.000127246 16 8 0.000010753 -0.000014505 0.000029407 17 6 -0.000029854 -0.000022419 0.000005531 18 6 0.000004449 0.000017517 0.000008278 19 6 0.000134522 0.000173383 -0.000296613 20 6 -0.000005379 0.000074022 0.000030103 21 6 0.000039216 -0.000000630 0.000015526 22 1 -0.000000945 0.000001395 0.000001447 23 8 -0.000148381 -0.000116590 0.000285787 24 8 -0.000012623 -0.000103333 0.000016697 25 1 -0.000004767 0.000001481 -0.000009094 26 1 0.000001498 -0.000004136 0.000002327 27 6 -0.000013374 -0.000020548 -0.000037645 28 6 0.000016709 -0.000009282 -0.000049386 29 1 -0.000000005 -0.000005914 0.000002840 30 1 0.000002322 0.000000626 0.000002238 31 1 0.000001350 -0.000002975 0.000004003 32 1 0.000002884 0.000007785 -0.000003734 33 1 0.000007254 -0.000006623 0.000009575 34 1 0.000016629 0.000008981 0.000006366 ------------------------------------------------------------------- Cartesian Forces: Max 0.000296613 RMS 0.000058178 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000331051 RMS 0.000038502 Search for a local minimum. Step number 25 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 18 19 20 21 22 23 24 25 DE= -2.24D-06 DEPred=-1.44D-06 R= 1.55D+00 TightC=F SS= 1.41D+00 RLast= 1.44D-02 DXNew= 5.0454D+00 4.3188D-02 Trust test= 1.55D+00 RLast= 1.44D-02 DXMaxT set to 3.00D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 0 1 0 1 0 Eigenvalues --- 0.00122 0.00386 0.00607 0.00728 0.00837 Eigenvalues --- 0.01201 0.01752 0.01888 0.01964 0.02089 Eigenvalues --- 0.02517 0.02681 0.02743 0.02751 0.02842 Eigenvalues --- 0.03006 0.03375 0.04221 0.04871 0.09850 Eigenvalues --- 0.09987 0.10155 0.10242 0.10452 0.10484 Eigenvalues --- 0.10561 0.10593 0.10893 0.11054 0.11297 Eigenvalues --- 0.11867 0.13569 0.15752 0.15836 0.15886 Eigenvalues --- 0.15998 0.16000 0.16006 0.16011 0.16027 Eigenvalues --- 0.16053 0.16064 0.16159 0.16226 0.16297 Eigenvalues --- 0.16401 0.16761 0.18529 0.18923 0.20367 Eigenvalues --- 0.21326 0.22328 0.23257 0.24054 0.24697 Eigenvalues --- 0.24979 0.25046 0.25623 0.26116 0.26597 Eigenvalues --- 0.29420 0.32058 0.32789 0.33464 0.33485 Eigenvalues --- 0.33580 0.33681 0.33876 0.34374 0.34802 Eigenvalues --- 0.34842 0.34884 0.34909 0.34966 0.35296 Eigenvalues --- 0.36912 0.38567 0.38848 0.39281 0.39926 Eigenvalues --- 0.40152 0.42350 0.45149 0.45292 0.47568 Eigenvalues --- 0.47647 0.48862 0.50807 0.53072 0.58077 Eigenvalues --- 0.60698 0.70636 0.72647 0.76863 0.87429 Eigenvalues --- 1.21742 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 25 24 23 22 21 20 19 18 17 16 RFO step: Lambda=-7.40886105D-07. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. RFO-DIIS uses 6 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.65590 -0.57583 -0.33177 0.74097 -0.51880 RFO-DIIS coefs: 0.02953 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00161551 RMS(Int)= 0.00000209 Iteration 2 RMS(Cart)= 0.00000238 RMS(Int)= 0.00000024 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000024 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03648 -0.00000 0.00000 -0.00001 -0.00001 2.03647 R2 2.03614 -0.00001 -0.00002 0.00003 0.00001 2.03615 R3 2.03823 -0.00000 -0.00002 0.00001 -0.00001 2.03822 R4 2.70719 -0.00002 0.00008 -0.00011 -0.00003 2.70716 R5 2.94348 0.00000 -0.00005 0.00008 0.00003 2.94351 R6 4.04658 0.00004 -0.00042 0.00020 -0.00023 4.04635 R7 2.73387 0.00001 -0.00001 0.00001 0.00000 2.73387 R8 2.95849 -0.00000 -0.00011 0.00006 -0.00006 2.95843 R9 2.72638 0.00003 0.00000 0.00002 0.00002 2.72640 R10 3.31584 0.00018 0.00046 0.00004 0.00051 3.31635 R11 2.72425 0.00003 0.00005 -0.00002 0.00004 2.72429 R12 2.71358 0.00002 0.00005 -0.00007 -0.00002 2.71356 R13 2.03645 -0.00000 -0.00004 0.00003 -0.00002 2.03643 R14 2.03656 -0.00000 -0.00000 0.00000 -0.00000 2.03656 R15 2.03879 0.00001 0.00002 0.00003 0.00004 2.03883 R16 2.60588 -0.00001 0.00006 -0.00007 -0.00001 2.60586 R17 2.63557 0.00002 -0.00010 0.00004 -0.00006 2.63552 R18 2.62134 0.00002 -0.00004 0.00001 -0.00003 2.62131 R19 2.02673 -0.00000 -0.00001 0.00000 -0.00000 2.02673 R20 2.62048 0.00002 0.00006 0.00005 0.00010 2.62058 R21 2.02535 0.00000 0.00001 -0.00002 -0.00000 2.02535 R22 2.65796 0.00006 -0.00001 0.00004 0.00003 2.65799 R23 2.52637 -0.00033 -0.00025 -0.00015 -0.00040 2.52597 R24 2.59049 0.00001 0.00008 -0.00003 0.00005 2.59054 R25 2.55901 0.00005 -0.00001 0.00007 0.00006 2.55907 R26 2.02665 -0.00001 -0.00003 0.00001 -0.00002 2.02663 R27 2.65121 -0.00001 -0.00001 0.00002 0.00000 2.65122 R28 2.66523 0.00003 0.00014 -0.00011 0.00003 2.66527 R29 2.03875 -0.00000 -0.00000 -0.00001 -0.00001 2.03873 R30 2.04835 0.00000 -0.00001 0.00002 0.00001 2.04835 R31 2.04899 -0.00000 0.00001 -0.00002 -0.00001 2.04899 R32 2.04097 0.00000 0.00000 0.00000 0.00000 2.04097 R33 2.04617 -0.00001 -0.00006 0.00001 -0.00005 2.04612 R34 2.04970 -0.00001 -0.00002 0.00000 -0.00002 2.04968 A1 1.92944 -0.00000 -0.00011 0.00007 -0.00004 1.92940 A2 1.92463 -0.00000 0.00008 -0.00005 0.00003 1.92466 A3 1.84286 -0.00001 0.00003 -0.00009 -0.00006 1.84281 A4 1.93443 -0.00000 -0.00001 0.00000 -0.00001 1.93442 A5 1.91927 0.00001 0.00009 -0.00005 0.00004 1.91931 A6 1.91109 0.00001 -0.00009 0.00011 0.00003 1.91112 A7 2.21163 0.00013 -0.00008 0.00036 0.00028 2.21192 A8 1.81764 0.00005 0.00036 -0.00002 0.00034 1.81798 A9 2.03546 -0.00001 -0.00008 0.00003 -0.00005 2.03541 A10 1.81779 -0.00002 -0.00016 -0.00000 -0.00016 1.81763 A11 1.92810 -0.00004 -0.00053 0.00005 -0.00048 1.92762 A12 1.77205 0.00003 0.00039 -0.00004 0.00035 1.77240 A13 2.06036 0.00000 0.00012 -0.00003 0.00010 2.06046 A14 1.87432 0.00002 0.00042 -0.00011 0.00031 1.87462 A15 1.84793 -0.00003 0.00002 -0.00011 -0.00008 1.84785 A16 1.82992 0.00001 -0.00024 0.00010 -0.00014 1.82979 A17 1.89212 0.00001 -0.00009 0.00010 0.00001 1.89213 A18 2.09941 -0.00003 -0.00005 -0.00005 -0.00010 2.09932 A19 1.90412 0.00002 -0.00004 0.00004 0.00000 1.90412 A20 2.15346 0.00003 0.00030 -0.00005 0.00024 2.15371 A21 1.90638 -0.00002 0.00011 -0.00027 -0.00017 1.90621 A22 1.84717 -0.00002 0.00016 -0.00029 -0.00013 1.84703 A23 1.91484 0.00000 -0.00002 0.00007 0.00005 1.91489 A24 1.93244 0.00002 0.00009 0.00014 0.00024 1.93268 A25 1.93271 0.00001 -0.00016 0.00016 -0.00000 1.93271 A26 1.92831 0.00001 -0.00016 0.00017 0.00001 1.92832 A27 2.08962 -0.00002 -0.00013 0.00002 -0.00011 2.08950 A28 2.08542 0.00001 0.00004 0.00001 0.00005 2.08547 A29 2.10807 0.00001 0.00010 -0.00004 0.00006 2.10813 A30 2.08678 -0.00000 -0.00002 -0.00004 -0.00006 2.08672 A31 2.09740 -0.00000 -0.00004 0.00005 0.00001 2.09740 A32 2.09890 0.00001 0.00007 -0.00001 0.00006 2.09895 A33 2.09778 0.00001 -0.00000 0.00008 0.00008 2.09785 A34 2.07850 -0.00001 0.00006 -0.00010 -0.00004 2.07846 A35 2.10691 -0.00001 -0.00005 0.00001 -0.00004 2.10687 A36 2.09029 -0.00002 -0.00003 -0.00005 -0.00008 2.09021 A37 2.17240 -0.00003 -0.00001 0.00001 0.00000 2.17240 A38 2.02049 0.00005 0.00004 0.00003 0.00008 2.02057 A39 2.09169 -0.00001 0.00008 -0.00007 0.00001 2.09170 A40 2.09599 0.00008 0.00001 0.00024 0.00025 2.09625 A41 2.09480 -0.00007 -0.00009 -0.00016 -0.00025 2.09455 A42 2.09173 0.00001 -0.00011 0.00011 -0.00000 2.09173 A43 2.11107 -0.00000 0.00013 -0.00006 0.00007 2.11114 A44 2.08032 -0.00001 -0.00002 -0.00005 -0.00006 2.08026 A45 2.09682 0.00002 0.00005 0.00012 0.00017 2.09699 A46 2.01997 0.00012 0.00012 0.00015 0.00027 2.02024 A47 1.84960 -0.00001 0.00004 -0.00011 -0.00006 1.84954 A48 1.94061 -0.00000 -0.00006 0.00008 0.00002 1.94063 A49 1.94289 -0.00000 -0.00000 -0.00000 -0.00000 1.94289 A50 1.90820 0.00000 -0.00000 -0.00000 -0.00001 1.90820 A51 1.90789 0.00000 0.00004 -0.00002 0.00003 1.90792 A52 1.91330 0.00000 -0.00002 0.00004 0.00002 1.91332 A53 1.85834 -0.00000 0.00009 -0.00016 -0.00008 1.85827 A54 1.93789 0.00000 -0.00000 0.00003 0.00003 1.93792 A55 1.93198 -0.00000 -0.00010 0.00000 -0.00010 1.93188 A56 1.91029 -0.00000 -0.00003 0.00004 0.00002 1.91031 A57 1.91176 0.00000 -0.00003 0.00005 0.00002 1.91178 A58 1.91274 0.00001 0.00008 0.00003 0.00011 1.91285 D1 3.13213 0.00000 -0.00086 0.00045 -0.00041 3.13172 D2 1.05031 0.00001 -0.00079 0.00044 -0.00035 1.04996 D3 -1.07917 0.00000 -0.00079 0.00040 -0.00039 -1.07955 D4 -1.41925 -0.00003 0.00078 -0.00017 0.00060 -1.41865 D5 2.73480 -0.00000 0.00123 -0.00023 0.00099 2.73579 D6 0.43131 0.00002 0.00127 -0.00023 0.00104 0.43236 D7 0.61661 0.00001 0.00020 0.00015 0.00035 0.61696 D8 -1.40219 0.00000 0.00010 0.00014 0.00023 -1.40196 D9 2.86867 -0.00001 0.00024 0.00009 0.00033 2.86900 D10 2.81520 0.00001 0.00002 0.00020 0.00023 2.81543 D11 0.79639 0.00000 -0.00008 0.00019 0.00011 0.79651 D12 -1.21592 -0.00000 0.00006 0.00015 0.00021 -1.21571 D13 -1.26805 0.00001 0.00013 0.00017 0.00030 -1.26775 D14 2.99633 0.00000 0.00003 0.00016 0.00019 2.99652 D15 0.98401 -0.00000 0.00017 0.00011 0.00028 0.98430 D16 2.86473 -0.00001 0.00191 -0.00025 0.00166 2.86639 D17 -1.53390 0.00005 0.00238 -0.00029 0.00209 -1.53181 D18 0.57577 0.00002 0.00207 -0.00027 0.00180 0.57757 D19 1.73953 -0.00001 0.00033 -0.00057 -0.00024 1.73929 D20 -1.38844 -0.00001 0.00018 -0.00052 -0.00034 -1.38878 D21 -0.26712 -0.00003 -0.00013 -0.00043 -0.00056 -0.26768 D22 2.88809 -0.00003 -0.00027 -0.00038 -0.00065 2.88744 D23 -2.58263 -0.00001 0.00004 -0.00048 -0.00044 -2.58306 D24 0.57259 -0.00001 -0.00010 -0.00043 -0.00053 0.57206 D25 1.33832 0.00001 0.00161 0.00060 0.00222 1.34054 D26 -2.86379 0.00001 0.00187 0.00047 0.00233 -2.86145 D27 -0.78318 0.00001 0.00176 0.00054 0.00229 -0.78088 D28 -3.13189 0.00000 -0.00018 0.00005 -0.00013 -3.13202 D29 0.02549 0.00000 -0.00020 0.00012 -0.00008 0.02541 D30 -0.00410 0.00000 -0.00004 0.00000 -0.00004 -0.00414 D31 -3.12990 -0.00000 -0.00005 0.00007 0.00002 -3.12989 D32 3.12547 -0.00000 0.00026 -0.00005 0.00021 3.12568 D33 -0.02795 0.00000 0.00038 0.00000 0.00038 -0.02756 D34 -0.00235 0.00000 0.00011 0.00000 0.00012 -0.00224 D35 3.12742 0.00001 0.00024 0.00005 0.00029 3.12771 D36 0.00770 -0.00000 -0.00009 0.00004 -0.00006 0.00765 D37 -3.13033 0.00000 -0.00007 0.00015 0.00008 -3.13025 D38 3.13349 -0.00000 -0.00008 -0.00003 -0.00011 3.13338 D39 -0.00454 0.00000 -0.00005 0.00008 0.00003 -0.00451 D40 -0.00491 -0.00000 0.00015 -0.00008 0.00007 -0.00485 D41 3.13562 0.00000 -0.00010 0.00044 0.00034 3.13595 D42 3.13306 -0.00000 0.00012 -0.00019 -0.00007 3.13299 D43 -0.00960 0.00000 -0.00013 0.00032 0.00020 -0.00940 D44 -0.00156 0.00000 -0.00007 0.00008 0.00001 -0.00154 D45 -3.10304 -0.00000 -0.00008 -0.00006 -0.00014 -3.10318 D46 3.14101 -0.00000 0.00016 -0.00039 -0.00023 3.14078 D47 0.03953 -0.00001 0.00014 -0.00053 -0.00039 0.03914 D48 0.05674 -0.00005 -0.00070 -0.00109 -0.00179 0.05495 D49 -3.08588 -0.00004 -0.00093 -0.00059 -0.00152 -3.08740 D50 0.00515 -0.00000 -0.00006 -0.00004 -0.00010 0.00505 D51 -3.12483 -0.00001 -0.00018 -0.00009 -0.00028 -3.12510 D52 3.10666 0.00001 -0.00004 0.00011 0.00006 3.10672 D53 -0.02332 0.00000 -0.00016 0.00006 -0.00011 -0.02343 D54 -1.46410 0.00001 0.00140 0.00060 0.00200 -1.46210 D55 1.71768 0.00000 0.00138 0.00046 0.00184 1.71951 D56 3.10882 0.00000 0.00053 0.00035 0.00088 3.10970 D57 1.03706 0.00000 0.00053 0.00038 0.00091 1.03797 D58 -1.10174 0.00000 0.00060 0.00027 0.00087 -1.10087 D59 -3.11377 -0.00001 -0.00139 -0.00033 -0.00172 -3.11549 D60 1.09136 -0.00001 -0.00141 -0.00030 -0.00171 1.08965 D61 -1.03720 -0.00002 -0.00143 -0.00037 -0.00180 -1.03900 Item Value Threshold Converged? Maximum Force 0.000331 0.000450 YES RMS Force 0.000039 0.000300 YES Maximum Displacement 0.007031 0.001800 NO RMS Displacement 0.001616 0.001200 NO Predicted change in Energy=-3.154374D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.658584 -0.615770 -1.231812 2 1 0 -0.071392 -0.229398 -1.924048 3 1 0 0.745118 0.030216 -0.373795 4 1 0 0.395895 -1.618110 -0.932409 5 8 0 1.896617 -0.640848 -1.952156 6 15 0 3.281102 -1.104223 -1.409278 7 16 0 4.014851 0.592649 -0.328939 8 8 0 4.251252 -1.535814 -2.391869 9 8 0 2.925486 -2.087726 -0.244305 10 6 0 3.868679 -3.004404 0.331937 11 1 0 4.529993 -2.465635 0.990486 12 1 0 3.282552 -3.721573 0.882900 13 1 0 4.425547 -3.494164 -0.451686 14 8 0 2.880348 1.233492 0.290536 15 6 0 4.675442 1.681455 -1.536381 16 8 0 5.090666 0.077758 0.480886 17 6 0 3.929361 2.758126 -1.967291 18 6 0 4.450137 3.610102 -2.930141 19 6 0 5.709011 3.375016 -3.462167 20 6 0 6.459904 2.271819 -3.017765 21 6 0 5.944437 1.436718 -2.060613 22 1 0 3.868073 4.450548 -3.251912 23 8 0 6.289729 4.135103 -4.395853 24 8 0 7.707722 2.060926 -3.499778 25 1 0 6.532223 0.607539 -1.718402 26 1 0 2.959009 2.943244 -1.549678 27 6 0 5.650509 5.295514 -4.857536 28 6 0 7.781589 1.375627 -4.730279 29 1 0 6.325379 5.742366 -5.570834 30 1 0 5.471460 5.992943 -4.047312 31 1 0 4.713250 5.060172 -5.349283 32 1 0 8.831803 1.266919 -4.957683 33 1 0 7.298400 1.939104 -5.518562 34 1 0 7.324266 0.395309 -4.650978 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077654 0.000000 3 H 1.077487 1.771262 0.000000 4 H 1.078579 1.769244 1.775101 0.000000 5 O 1.432568 2.010756 2.065793 2.060848 0.000000 6 P 2.673515 3.502788 2.964860 2.969159 1.557637 7 S 3.679672 4.462904 3.318057 4.283512 2.939943 8 O 3.885805 4.539915 4.337977 4.123176 2.557072 9 O 2.877615 3.905918 3.042441 2.663242 2.463490 10 C 4.295997 5.321116 4.411758 3.947228 3.833081 11 H 4.832020 5.887954 4.734534 4.637520 4.350133 12 H 4.582927 5.596711 4.700401 4.006581 4.410128 13 H 4.804556 5.748826 5.096359 4.470880 4.097354 14 O 3.267040 3.969534 2.539374 3.974888 3.083917 15 C 4.637365 5.131674 4.418783 5.437503 3.645248 16 O 4.801839 5.703059 4.429055 5.187894 4.078975 17 C 4.756268 4.993315 4.485547 5.719074 3.960467 18 C 5.926060 6.016494 5.751318 6.911007 5.054453 19 C 6.812318 6.983600 6.735426 7.717525 5.739481 20 C 6.721839 7.078851 6.683872 7.500164 5.517494 21 C 5.730607 6.243780 5.644158 6.433594 4.551141 22 H 6.328444 6.259753 6.129906 7.366460 5.612336 23 O 8.018214 8.100775 7.985597 8.934886 6.934032 24 O 7.873927 8.260939 7.897684 8.578433 6.592698 25 H 6.019376 6.659616 5.969242 6.574635 4.806449 26 H 4.249656 4.403310 3.843144 5.268447 3.759838 27 C 8.544500 8.477627 8.478807 9.529732 7.600877 28 C 8.181818 8.492370 8.384570 8.828067 6.813005 29 H 9.558534 9.480490 9.527706 10.528551 8.570542 30 H 8.646728 8.599360 8.449092 9.663960 7.821532 31 H 8.100013 7.912306 8.111844 9.096581 7.209405 32 H 9.177589 9.524115 9.377416 9.782166 7.795484 33 H 8.306068 8.481555 8.547397 9.018379 6.968118 34 H 7.559385 7.907095 7.855748 8.116893 6.149523 6 7 8 9 10 6 P 0.000000 7 S 2.141236 0.000000 8 O 1.446702 2.973537 0.000000 9 O 1.565536 2.894528 2.583466 0.000000 10 C 2.643437 3.660179 3.118050 1.435955 0.000000 11 H 3.028537 3.370364 3.518891 2.059603 1.077634 12 H 3.479167 4.540631 4.054632 2.016815 1.077700 13 H 2.817544 4.109231 2.762214 2.066702 1.078903 14 O 2.918027 1.442749 4.091910 3.364310 4.351812 15 C 3.117747 1.754935 3.355983 4.351843 5.108694 16 O 2.871292 1.441633 3.400140 3.146939 3.318909 17 C 3.955927 2.716762 4.326870 5.240108 6.204586 18 C 5.089649 4.007586 5.177812 6.481013 7.398036 19 C 5.492966 4.519830 5.233244 6.924175 7.647159 20 C 4.908123 4.003458 4.446117 6.260178 6.765610 21 C 3.738177 2.726618 3.436939 4.983447 5.454964 22 H 5.881779 4.842386 6.059953 7.258320 8.271656 23 O 6.739585 5.853532 6.350641 8.202261 8.898654 24 O 5.829522 5.084029 5.109911 7.118933 7.421446 25 H 3.687204 2.875411 3.201616 4.737718 4.934014 26 H 4.062690 2.851369 4.737208 5.197672 6.304165 27 C 7.645993 6.730565 7.396248 9.122494 9.949583 28 C 6.118259 5.845782 5.138865 7.463278 7.753810 29 H 8.570995 7.702960 8.208516 10.061885 10.834393 30 H 7.882047 6.716487 7.804587 9.286661 10.134051 31 H 7.454828 6.756506 7.243395 8.963780 9.900856 32 H 7.001697 6.714382 5.951483 8.267657 8.417652 33 H 6.502826 6.287036 5.579998 7.947046 8.392234 34 H 5.394849 5.447127 4.275070 6.703246 6.951876 11 12 13 14 15 11 H 0.000000 12 H 1.773433 0.000000 13 H 1.774442 1.771799 0.000000 14 O 4.110327 5.006529 5.028843 0.000000 15 C 4.858453 6.081594 5.293963 2.600127 0.000000 16 O 2.653845 4.226796 3.751093 2.501491 2.610291 17 C 6.032983 7.108337 6.452472 2.919370 1.378964 18 C 7.231340 8.346017 7.524223 4.299451 2.390190 19 C 7.438374 8.667692 7.608936 5.164324 2.764971 20 C 6.498777 7.825056 6.630983 4.983593 2.393184 21 C 5.151525 6.508292 5.404560 3.867537 1.394655 22 H 8.140619 9.177313 8.442186 4.886102 3.356005 23 O 8.699371 9.931551 8.788478 6.481163 4.099133 24 O 7.123917 8.498665 7.136005 6.193115 3.632306 25 H 4.559759 6.005693 4.781906 4.214717 2.152688 26 H 6.178705 7.102247 6.693022 2.513132 2.130359 27 C 9.782145 10.948411 9.908102 7.118741 5.004223 28 C 7.619405 8.816494 7.299606 7.017903 4.465722 29 H 10.660470 11.852242 10.729797 8.158054 5.957357 30 H 9.890062 11.111712 10.199396 6.941410 5.052460 31 H 9.841952 10.863059 9.861333 7.057661 5.094642 32 H 8.235183 9.475845 7.898545 7.935032 5.399304 33 H 8.332677 9.441876 7.965358 7.332305 4.775360 34 H 6.915135 7.994247 6.415967 6.698471 4.286159 16 17 18 19 20 16 O 0.000000 17 C 3.811374 0.000000 18 C 4.952054 1.387137 0.000000 19 C 5.177058 2.404654 1.386752 0.000000 20 C 4.350779 2.782739 2.416163 1.406548 0.000000 21 C 3.005813 2.411505 2.777158 2.403493 1.370854 22 H 5.877909 2.125629 1.071768 2.142436 3.394006 23 O 6.456190 3.655860 2.409987 1.336688 2.323771 24 O 5.160197 4.136498 3.651889 2.392298 1.354202 25 H 2.682466 3.385537 3.849517 3.373029 2.112676 26 H 4.108304 1.072498 2.138653 3.377358 3.855172 27 C 7.485797 4.213574 2.827783 2.374614 3.630787 28 C 6.006811 4.938124 4.396812 3.146624 2.341521 29 H 8.380670 5.256626 3.877672 3.229665 4.310564 30 H 7.459156 4.143501 2.822960 2.693023 3.985443 31 H 7.678396 4.165545 2.832698 2.718915 4.032579 32 H 6.707327 5.932965 5.366603 4.053698 3.224750 33 H 6.658234 4.963139 4.195803 2.969303 2.658526 34 H 5.605876 4.930564 4.642929 3.591792 2.633590 21 22 23 24 25 21 C 0.000000 22 H 3.848851 0.000000 23 O 3.585227 2.696762 0.000000 24 O 2.360086 4.529309 2.667557 0.000000 25 H 1.072445 4.921186 4.435229 2.582137 0.000000 26 H 3.382817 2.448665 4.540367 5.208805 4.272218 27 C 4.774880 2.543438 1.402964 4.066717 5.710402 28 C 3.241293 5.191948 3.154711 1.410399 3.349967 29 H 5.568247 3.617257 1.991268 4.444451 6.422653 30 H 4.992982 2.362730 2.059761 4.556470 5.962518 31 H 5.045849 2.341993 2.061569 4.624176 6.026433 32 H 4.093742 6.138711 3.873535 2.004867 4.026883 33 H 3.747402 4.817905 2.664640 2.063461 4.098940 34 H 3.114234 5.508867 3.888626 2.060723 3.045057 26 27 28 29 30 26 H 0.000000 27 C 4.870243 0.000000 28 C 5.985894 4.463543 0.000000 29 H 5.944512 1.078851 4.679263 0.000000 30 H 4.674532 1.083941 5.207951 1.764394 0.000000 31 H 4.689961 1.084276 4.834641 1.764492 1.772024 32 H 6.993873 5.134223 1.080036 5.166019 5.869922 33 H 5.965790 3.797103 1.082759 3.926106 4.683578 34 H 5.930050 5.182291 1.084645 5.516786 5.927125 31 32 33 34 31 H 0.000000 32 H 5.612896 0.000000 33 H 4.056196 1.765713 0.000000 34 H 5.391287 1.768174 1.771065 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.307507 2.110632 1.357796 2 1 0 3.046586 2.871997 2.074443 3 1 0 3.254458 2.501127 0.354962 4 1 0 4.291839 1.722320 1.566689 5 8 0 2.336921 1.071133 1.530012 6 15 0 2.248134 -0.262397 0.729981 7 16 0 1.253028 0.281532 -1.086278 8 8 0 1.560150 -1.360098 1.373936 9 8 0 3.710463 -0.504179 0.225957 10 6 0 4.175372 -1.767294 -0.274410 11 1 0 3.807747 -1.908489 -1.277510 12 1 0 5.251429 -1.708245 -0.267189 13 1 0 3.836495 -2.561858 0.372013 14 8 0 1.690464 1.610967 -1.436673 15 6 0 -0.456821 0.345430 -0.696239 16 8 0 1.491420 -0.822083 -1.982665 17 6 0 -1.057074 1.562448 -0.451076 18 6 0 -2.406211 1.608114 -0.131867 19 6 0 -3.143905 0.436640 -0.051005 20 6 0 -2.520612 -0.799496 -0.299703 21 6 0 -1.188827 -0.839368 -0.622190 22 1 0 -2.867429 2.558905 0.046909 23 8 0 -4.443861 0.380827 0.255153 24 8 0 -3.243970 -1.943835 -0.266453 25 1 0 -0.727824 -1.786265 -0.824679 26 1 0 -0.487318 2.468373 -0.521276 27 6 0 -5.171694 1.563170 0.456728 28 6 0 -3.434947 -2.511157 1.010613 29 1 0 -6.186847 1.256638 0.655281 30 1 0 -5.152631 2.190491 -0.427032 31 1 0 -4.792339 2.119574 1.306528 32 1 0 -4.000145 -3.419237 0.860879 33 1 0 -3.991972 -1.841669 1.653944 34 1 0 -2.481926 -2.748793 1.470760 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6173134 0.1843915 0.1696473 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.3209876873 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.55D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000275 0.000038 0.000047 Ang= 0.03 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1649.62376353 A.U. after 8 cycles NFock= 8 Conv=0.38D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000009272 0.000008525 -0.000039120 2 1 -0.000004362 -0.000006006 0.000000800 3 1 -0.000000937 -0.000002111 -0.000003892 4 1 0.000000706 -0.000002514 0.000004331 5 8 0.000016109 0.000000626 0.000075332 6 15 -0.000053107 -0.000036282 -0.000078663 7 16 0.000030754 0.000022324 0.000030236 8 8 -0.000005858 -0.000010913 -0.000001519 9 8 -0.000021134 0.000029053 -0.000023914 10 6 0.000017230 -0.000019792 0.000027235 11 1 -0.000003948 -0.000009478 0.000002965 12 1 0.000010302 -0.000008081 -0.000002901 13 1 -0.000001076 0.000006015 0.000003327 14 8 -0.000007849 0.000002271 0.000024214 15 6 -0.000003083 0.000030665 -0.000018306 16 8 -0.000000994 -0.000005516 0.000016481 17 6 -0.000012516 -0.000028463 0.000003317 18 6 0.000020051 0.000021623 -0.000009277 19 6 0.000048511 0.000084932 -0.000127279 20 6 -0.000003647 0.000000194 0.000018608 21 6 0.000035960 0.000009394 -0.000009856 22 1 -0.000001115 0.000004186 -0.000003106 23 8 -0.000066703 -0.000028242 0.000137548 24 8 -0.000016051 -0.000034085 0.000010099 25 1 -0.000002921 0.000000831 0.000002104 26 1 0.000000547 0.000001739 0.000000297 27 6 -0.000005815 -0.000013946 -0.000029439 28 6 0.000009168 -0.000005895 -0.000005577 29 1 -0.000001248 0.000001435 -0.000000368 30 1 0.000002773 -0.000003770 0.000000883 31 1 -0.000001556 -0.000006152 0.000006819 32 1 -0.000000438 0.000002821 -0.000005427 33 1 0.000005421 -0.000009105 -0.000001956 34 1 0.000007554 0.000003720 -0.000003998 ------------------------------------------------------------------- Cartesian Forces: Max 0.000137548 RMS 0.000028579 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000140972 RMS 0.000019316 Search for a local minimum. Step number 26 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 18 19 20 21 22 23 24 25 26 DE= -6.57D-07 DEPred=-3.15D-07 R= 2.08D+00 Trust test= 2.08D+00 RLast= 7.60D-03 DXMaxT set to 3.00D+00 ITU= 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 0 1 0 1 0 Eigenvalues --- 0.00124 0.00381 0.00597 0.00700 0.00721 Eigenvalues --- 0.01107 0.01716 0.01887 0.01985 0.02085 Eigenvalues --- 0.02517 0.02681 0.02745 0.02748 0.02842 Eigenvalues --- 0.02998 0.03325 0.03536 0.04791 0.09863 Eigenvalues --- 0.10038 0.10151 0.10255 0.10455 0.10484 Eigenvalues --- 0.10562 0.10596 0.10898 0.11047 0.11499 Eigenvalues --- 0.11910 0.13596 0.15767 0.15843 0.15905 Eigenvalues --- 0.15996 0.16003 0.16004 0.16020 0.16034 Eigenvalues --- 0.16054 0.16065 0.16155 0.16258 0.16349 Eigenvalues --- 0.16633 0.16736 0.18275 0.19681 0.20168 Eigenvalues --- 0.21728 0.22363 0.23216 0.24037 0.24718 Eigenvalues --- 0.24871 0.25038 0.25648 0.25961 0.26357 Eigenvalues --- 0.28670 0.32091 0.33259 0.33465 0.33487 Eigenvalues --- 0.33587 0.33761 0.33961 0.34587 0.34800 Eigenvalues --- 0.34854 0.34889 0.34915 0.34969 0.35282 Eigenvalues --- 0.37065 0.38513 0.38762 0.39257 0.39838 Eigenvalues --- 0.40060 0.42432 0.44950 0.45302 0.47653 Eigenvalues --- 0.48374 0.49162 0.50880 0.52942 0.57163 Eigenvalues --- 0.60354 0.70465 0.70937 0.74136 0.87430 Eigenvalues --- 1.07997 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 26 25 24 23 22 21 20 19 18 17 RFO step: Lambda=-4.72254757D-07. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. RFO-DIIS uses 6 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.65783 -0.32167 -0.48005 0.17312 0.05655 RFO-DIIS coefs: -0.08577 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00142877 RMS(Int)= 0.00000107 Iteration 2 RMS(Cart)= 0.00000131 RMS(Int)= 0.00000009 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000009 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03647 0.00000 -0.00001 0.00001 -0.00000 2.03647 R2 2.03615 -0.00000 0.00000 0.00000 0.00000 2.03616 R3 2.03822 0.00000 0.00000 0.00000 0.00001 2.03823 R4 2.70716 -0.00002 -0.00005 -0.00005 -0.00010 2.70706 R5 2.94351 -0.00003 -0.00008 -0.00002 -0.00010 2.94340 R6 4.04635 0.00007 -0.00007 0.00019 0.00012 4.04647 R7 2.73387 0.00000 0.00001 -0.00001 0.00000 2.73387 R8 2.95843 0.00001 -0.00004 0.00001 -0.00003 2.95840 R9 2.72640 0.00002 0.00004 -0.00000 0.00003 2.72644 R10 3.31635 0.00005 0.00041 -0.00008 0.00033 3.31667 R11 2.72429 0.00001 0.00005 -0.00003 0.00002 2.72432 R12 2.71356 0.00005 0.00008 0.00003 0.00011 2.71367 R13 2.03643 -0.00001 -0.00003 0.00001 -0.00002 2.03641 R14 2.03656 -0.00000 -0.00001 0.00001 -0.00001 2.03655 R15 2.03883 -0.00001 0.00002 -0.00003 -0.00000 2.03883 R16 2.60586 -0.00000 0.00000 -0.00002 -0.00002 2.60584 R17 2.63552 0.00002 -0.00004 0.00004 0.00000 2.63552 R18 2.62131 0.00002 0.00001 0.00003 0.00004 2.62135 R19 2.02673 -0.00000 -0.00001 0.00001 -0.00000 2.02673 R20 2.62058 -0.00001 0.00006 -0.00003 0.00003 2.62061 R21 2.02535 0.00000 0.00000 0.00001 0.00001 2.02536 R22 2.65799 0.00004 0.00009 -0.00001 0.00008 2.65807 R23 2.52597 -0.00014 -0.00034 -0.00001 -0.00035 2.52562 R24 2.59054 -0.00001 0.00004 -0.00003 0.00001 2.59055 R25 2.55907 0.00001 0.00002 0.00001 0.00003 2.55910 R26 2.02663 -0.00000 -0.00002 0.00001 -0.00001 2.02662 R27 2.65122 -0.00001 0.00000 -0.00002 -0.00002 2.65120 R28 2.66527 0.00002 0.00006 -0.00000 0.00006 2.66533 R29 2.03873 0.00000 -0.00001 -0.00000 -0.00001 2.03873 R30 2.04835 -0.00000 -0.00000 -0.00000 -0.00001 2.04834 R31 2.04899 -0.00000 0.00000 -0.00001 -0.00001 2.04898 R32 2.04097 0.00000 -0.00001 0.00002 0.00000 2.04097 R33 2.04612 -0.00001 -0.00005 0.00001 -0.00004 2.04608 R34 2.04968 -0.00001 -0.00002 -0.00001 -0.00002 2.04966 A1 1.92940 0.00000 -0.00003 0.00003 0.00001 1.92941 A2 1.92466 -0.00000 0.00005 -0.00005 -0.00000 1.92465 A3 1.84281 0.00001 -0.00003 0.00009 0.00006 1.84287 A4 1.93442 -0.00000 -0.00002 -0.00002 -0.00005 1.93437 A5 1.91931 -0.00000 -0.00000 0.00001 0.00001 1.91932 A6 1.91112 -0.00000 0.00004 -0.00005 -0.00001 1.91111 A7 2.21192 0.00007 0.00030 0.00013 0.00043 2.21235 A8 1.81798 -0.00000 0.00015 -0.00010 0.00005 1.81804 A9 2.03541 0.00000 -0.00005 0.00005 0.00001 2.03542 A10 1.81763 -0.00000 -0.00013 0.00002 -0.00011 1.81752 A11 1.92762 0.00001 -0.00033 0.00018 -0.00015 1.92747 A12 1.77240 0.00001 0.00037 -0.00016 0.00021 1.77261 A13 2.06046 -0.00001 0.00006 -0.00003 0.00003 2.06048 A14 1.87462 -0.00001 0.00020 -0.00016 0.00005 1.87467 A15 1.84785 -0.00001 -0.00006 -0.00001 -0.00007 1.84778 A16 1.82979 0.00001 -0.00001 0.00008 0.00006 1.82985 A17 1.89213 0.00001 -0.00004 0.00005 0.00002 1.89215 A18 2.09932 -0.00001 -0.00012 0.00000 -0.00012 2.09920 A19 1.90412 0.00001 0.00003 0.00003 0.00006 1.90418 A20 2.15371 0.00002 0.00027 -0.00009 0.00017 2.15388 A21 1.90621 0.00001 0.00001 -0.00003 -0.00002 1.90619 A22 1.84703 0.00002 -0.00009 0.00019 0.00010 1.84713 A23 1.91489 -0.00001 0.00002 -0.00007 -0.00005 1.91484 A24 1.93268 -0.00001 0.00016 -0.00009 0.00007 1.93275 A25 1.93271 -0.00000 -0.00004 -0.00000 -0.00004 1.93267 A26 1.92832 -0.00001 -0.00005 0.00000 -0.00005 1.92827 A27 2.08950 -0.00000 -0.00011 0.00006 -0.00005 2.08945 A28 2.08547 0.00001 0.00005 -0.00000 0.00005 2.08552 A29 2.10813 -0.00001 0.00006 -0.00006 0.00000 2.10814 A30 2.08672 0.00000 -0.00004 0.00002 -0.00002 2.08670 A31 2.09740 -0.00000 -0.00002 0.00003 0.00001 2.09742 A32 2.09895 -0.00000 0.00006 -0.00005 0.00001 2.09896 A33 2.09785 0.00001 0.00005 0.00002 0.00006 2.09792 A34 2.07846 -0.00000 -0.00001 -0.00001 -0.00002 2.07844 A35 2.10687 -0.00000 -0.00004 -0.00001 -0.00005 2.10682 A36 2.09021 -0.00001 -0.00007 -0.00002 -0.00009 2.09012 A37 2.17240 -0.00003 -0.00004 -0.00003 -0.00007 2.17234 A38 2.02057 0.00004 0.00010 0.00005 0.00015 2.02072 A39 2.09170 -0.00000 0.00003 0.00000 0.00003 2.09173 A40 2.09625 0.00004 0.00022 -0.00004 0.00018 2.09642 A41 2.09455 -0.00004 -0.00025 0.00005 -0.00020 2.09435 A42 2.09173 0.00001 -0.00003 0.00004 0.00001 2.09174 A43 2.11114 -0.00001 0.00005 -0.00005 0.00001 2.11115 A44 2.08026 -0.00000 -0.00002 0.00000 -0.00002 2.08024 A45 2.09699 -0.00000 0.00013 -0.00004 0.00009 2.09708 A46 2.02024 0.00007 0.00020 0.00010 0.00030 2.02055 A47 1.84954 0.00001 0.00000 0.00004 0.00004 1.84958 A48 1.94063 -0.00001 -0.00002 -0.00002 -0.00004 1.94059 A49 1.94289 -0.00001 -0.00000 -0.00008 -0.00008 1.94280 A50 1.90820 0.00000 -0.00001 0.00002 0.00001 1.90821 A51 1.90792 0.00001 0.00004 0.00004 0.00008 1.90799 A52 1.91332 0.00000 -0.00000 0.00001 0.00001 1.91333 A53 1.85827 0.00000 -0.00016 0.00019 0.00002 1.85829 A54 1.93792 0.00001 0.00006 0.00001 0.00007 1.93799 A55 1.93188 0.00001 -0.00005 0.00002 -0.00004 1.93184 A56 1.91031 -0.00001 0.00000 -0.00006 -0.00006 1.91025 A57 1.91178 -0.00000 0.00003 -0.00005 -0.00002 1.91176 A58 1.91285 -0.00000 0.00012 -0.00011 0.00002 1.91287 D1 3.13172 0.00001 0.00002 0.00055 0.00057 3.13229 D2 1.04996 0.00000 0.00008 0.00045 0.00052 1.05048 D3 -1.07955 0.00001 0.00008 0.00051 0.00059 -1.07897 D4 -1.41865 -0.00001 -0.00004 0.00005 0.00001 -1.41864 D5 2.73579 -0.00001 0.00029 -0.00013 0.00016 2.73595 D6 0.43236 -0.00000 0.00036 -0.00015 0.00022 0.43257 D7 0.61696 0.00000 0.00031 0.00005 0.00037 0.61733 D8 -1.40196 0.00000 0.00029 0.00007 0.00036 -1.40160 D9 2.86900 -0.00001 0.00028 0.00001 0.00029 2.86929 D10 2.81543 0.00001 0.00016 0.00016 0.00032 2.81575 D11 0.79651 0.00001 0.00014 0.00018 0.00031 0.79682 D12 -1.21571 -0.00001 0.00013 0.00011 0.00024 -1.21547 D13 -1.26775 0.00001 0.00028 0.00012 0.00040 -1.26734 D14 2.99652 0.00001 0.00026 0.00014 0.00040 2.99691 D15 0.98430 -0.00001 0.00025 0.00007 0.00033 0.98462 D16 2.86639 0.00001 0.00113 0.00007 0.00119 2.86759 D17 -1.53181 0.00000 0.00137 -0.00009 0.00128 -1.53052 D18 0.57757 0.00001 0.00127 0.00000 0.00127 0.57884 D19 1.73929 -0.00002 -0.00031 -0.00036 -0.00068 1.73861 D20 -1.38878 -0.00002 -0.00034 -0.00028 -0.00063 -1.38940 D21 -0.26768 -0.00001 -0.00050 -0.00020 -0.00070 -0.26839 D22 2.88744 -0.00001 -0.00053 -0.00012 -0.00065 2.88679 D23 -2.58306 -0.00001 -0.00034 -0.00027 -0.00061 -2.58368 D24 0.57206 -0.00001 -0.00037 -0.00019 -0.00056 0.57150 D25 1.34054 0.00001 0.00144 0.00031 0.00175 1.34229 D26 -2.86145 0.00001 0.00158 0.00030 0.00188 -2.85958 D27 -0.78088 0.00001 0.00147 0.00037 0.00185 -0.77904 D28 -3.13202 0.00000 -0.00012 0.00017 0.00006 -3.13196 D29 0.02541 0.00000 -0.00003 0.00009 0.00007 0.02548 D30 -0.00414 0.00000 -0.00009 0.00009 0.00000 -0.00413 D31 -3.12989 0.00000 0.00000 0.00001 0.00001 -3.12987 D32 3.12568 -0.00000 0.00011 -0.00011 0.00001 3.12569 D33 -0.02756 -0.00000 0.00024 -0.00015 0.00009 -0.02747 D34 -0.00224 -0.00000 0.00009 -0.00003 0.00006 -0.00218 D35 3.12771 0.00000 0.00021 -0.00007 0.00014 3.12785 D36 0.00765 -0.00000 -0.00001 -0.00004 -0.00005 0.00759 D37 -3.13025 -0.00000 0.00006 -0.00006 0.00000 -3.13025 D38 3.13338 -0.00000 -0.00010 0.00004 -0.00006 3.13332 D39 -0.00451 -0.00000 -0.00003 0.00002 -0.00001 -0.00452 D40 -0.00485 0.00000 0.00011 -0.00007 0.00004 -0.00480 D41 3.13595 0.00000 0.00016 -0.00005 0.00011 3.13606 D42 3.13299 0.00000 0.00003 -0.00005 -0.00002 3.13297 D43 -0.00940 0.00000 0.00008 -0.00003 0.00005 -0.00935 D44 -0.00154 -0.00000 -0.00011 0.00014 0.00002 -0.00152 D45 -3.10318 -0.00000 0.00008 -0.00016 -0.00008 -3.10326 D46 3.14078 -0.00000 -0.00016 0.00012 -0.00004 3.14074 D47 0.03914 -0.00000 0.00004 -0.00018 -0.00014 0.03900 D48 0.05495 -0.00003 -0.00137 -0.00054 -0.00191 0.05304 D49 -3.08740 -0.00003 -0.00133 -0.00053 -0.00185 -3.08926 D50 0.00505 0.00000 0.00001 -0.00009 -0.00007 0.00498 D51 -3.12510 -0.00000 -0.00011 -0.00004 -0.00015 -3.12526 D52 3.10672 0.00000 -0.00017 0.00021 0.00004 3.10676 D53 -0.02343 0.00000 -0.00029 0.00025 -0.00004 -0.02347 D54 -1.46210 -0.00001 0.00139 -0.00070 0.00069 -1.46142 D55 1.71951 -0.00001 0.00158 -0.00100 0.00058 1.72009 D56 3.10970 0.00000 0.00085 0.00039 0.00124 3.11094 D57 1.03797 0.00000 0.00088 0.00035 0.00123 1.03920 D58 -1.10087 0.00001 0.00090 0.00041 0.00131 -1.09956 D59 -3.11549 -0.00001 -0.00162 0.00022 -0.00140 -3.11689 D60 1.08965 -0.00000 -0.00155 0.00017 -0.00139 1.08827 D61 -1.03900 -0.00001 -0.00171 0.00028 -0.00143 -1.04043 Item Value Threshold Converged? Maximum Force 0.000141 0.000450 YES RMS Force 0.000019 0.000300 YES Maximum Displacement 0.005263 0.001800 NO RMS Displacement 0.001429 0.001200 NO Predicted change in Energy=-2.309748D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.658443 -0.614464 -1.232006 2 1 0 -0.071267 -0.228078 -1.924514 3 1 0 0.744941 0.031711 -0.374128 4 1 0 0.395387 -1.616642 -0.932371 5 8 0 1.896621 -0.640128 -1.951970 6 15 0 3.280907 -1.104276 -1.409400 7 16 0 4.015661 0.591939 -0.328589 8 8 0 4.250821 -1.535845 -2.392234 9 8 0 2.924801 -2.088161 -0.244920 10 6 0 3.867798 -3.004672 0.332058 11 1 0 4.527207 -2.466078 0.992636 12 1 0 3.281371 -3.723280 0.880815 13 1 0 4.426787 -3.492738 -0.451110 14 8 0 2.881646 1.232920 0.291678 15 6 0 4.676135 1.681092 -1.536034 16 8 0 5.091609 0.076411 0.480677 17 6 0 3.929844 2.757683 -1.966751 18 6 0 4.450420 3.609846 -2.929571 19 6 0 5.709316 3.375107 -3.461741 20 6 0 6.460414 2.271941 -3.017469 21 6 0 5.945122 1.436617 -2.060410 22 1 0 3.868190 4.450241 -3.251196 23 8 0 6.289672 4.135443 -4.395182 24 8 0 7.708248 2.061041 -3.499481 25 1 0 6.533021 0.607424 -1.718445 26 1 0 2.959505 2.942615 -1.549026 27 6 0 5.649184 5.294582 -4.858265 28 6 0 7.782514 1.376515 -4.730426 29 1 0 6.323537 5.741345 -5.572102 30 1 0 5.469371 5.992754 -4.048855 31 1 0 4.712170 5.057536 -5.349654 32 1 0 8.832775 1.269105 -4.958231 33 1 0 7.298494 1.939846 -5.518277 34 1 0 7.326336 0.395647 -4.651506 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077654 0.000000 3 H 1.077487 1.771266 0.000000 4 H 1.078583 1.769244 1.775075 0.000000 5 O 1.432513 2.010752 2.065749 2.060793 0.000000 6 P 2.673706 3.502875 2.965362 2.969226 1.557582 7 S 3.680012 4.463450 3.318665 4.283547 2.940014 8 O 3.885905 4.539764 4.338338 4.123360 2.557029 9 O 2.877933 3.906068 3.043409 2.663241 2.463325 10 C 4.296434 5.321449 4.412545 3.947537 3.833195 11 H 4.831651 5.887646 4.734188 4.636716 4.350262 12 H 4.583504 5.597008 4.701948 4.006804 4.409992 13 H 4.805692 5.749905 5.097416 4.472531 4.097768 14 O 3.267579 3.970606 2.540021 3.974894 3.084240 15 C 4.637226 5.131635 4.418684 5.437304 3.645101 16 O 4.802453 5.703766 4.430148 5.188221 4.079111 17 C 4.755343 4.992538 4.484526 5.718133 3.959713 18 C 5.924999 6.015434 5.750122 6.910013 5.053698 19 C 6.811733 6.982918 6.734735 7.717066 5.739177 20 C 6.721762 7.078665 6.683749 7.500218 5.517575 21 C 5.730809 6.243926 5.644394 6.433850 4.551372 22 H 6.326993 6.258280 6.128263 7.365079 5.611321 23 O 8.017359 8.099756 7.984581 8.934212 6.933560 24 O 7.873978 8.260837 7.897699 8.578656 6.592883 25 H 6.019992 6.660116 5.969966 6.575328 4.806987 26 H 4.248318 4.402257 3.841620 5.267049 3.758741 27 C 8.542487 8.475271 8.476844 9.527857 7.599280 28 C 8.182624 8.492922 8.385300 8.829148 6.813985 29 H 9.556465 9.477996 9.525732 10.526635 8.568905 30 H 8.644941 8.597106 8.447360 9.662334 7.820268 31 H 8.096871 7.908892 8.108864 9.093496 7.206591 32 H 9.178905 9.525070 9.378603 9.783895 7.796987 33 H 8.305836 8.481061 8.547064 9.018428 6.968145 34 H 7.561356 7.908858 7.857682 8.119072 6.151595 6 7 8 9 10 6 P 0.000000 7 S 2.141299 0.000000 8 O 1.446703 2.973449 0.000000 9 O 1.565520 2.894808 2.583474 0.000000 10 C 2.643600 3.659771 3.118641 1.436015 0.000000 11 H 3.029447 3.370279 3.521232 2.059630 1.077622 12 H 3.479119 4.541250 4.054325 2.016938 1.077696 13 H 2.817110 4.107143 2.761948 2.066716 1.078902 14 O 2.918143 1.442768 4.091954 3.364428 4.351012 15 C 3.117848 1.755109 3.355989 4.352174 5.108773 16 O 2.871421 1.441646 3.399988 3.147527 3.318565 17 C 3.955564 2.716870 4.326482 5.239944 6.204280 18 C 5.089364 4.007728 5.177520 6.480906 7.397940 19 C 5.493100 4.520081 5.233403 6.924504 7.647592 20 C 4.908563 4.003660 4.446623 6.260837 6.766360 21 C 3.738715 2.726812 3.437484 4.984215 5.455659 22 H 5.881307 4.842507 6.059493 7.257987 8.271362 23 O 6.739601 5.853608 6.350766 8.202456 8.899073 24 O 5.830010 5.084094 5.110517 7.119649 7.422343 25 H 3.688044 2.875594 3.202504 4.738851 4.935099 26 H 4.062034 2.851423 4.736571 5.197173 6.303467 27 C 7.645181 6.730618 7.395368 9.121958 9.949392 28 C 6.119477 5.846444 5.140218 7.464658 7.755549 29 H 8.570193 7.703058 8.207631 10.061383 10.834323 30 H 7.881874 6.717325 7.804426 9.286870 10.134649 31 H 7.452654 6.755574 7.240984 8.961807 9.899192 32 H 7.003598 6.715410 5.953687 8.269867 8.420411 33 H 6.503119 6.287027 5.580402 7.947473 8.393113 34 H 5.396899 5.448551 4.277121 6.705282 6.954104 11 12 13 14 15 11 H 0.000000 12 H 1.773462 0.000000 13 H 1.774406 1.771765 0.000000 14 O 4.108747 5.007073 5.027030 0.000000 15 C 4.859565 6.082250 5.292235 2.600305 0.000000 16 O 2.654224 4.227851 3.748205 2.501434 2.610506 17 C 6.033447 7.108588 6.450727 2.919610 1.378954 18 C 7.232321 8.346284 7.522634 4.299684 2.390185 19 C 7.440315 8.668322 7.607632 5.164575 2.765048 20 C 6.501312 7.825957 6.629733 4.983734 2.393198 21 C 5.153892 6.509294 5.403122 3.867648 1.394656 22 H 8.141246 9.177381 8.440582 4.886347 3.356000 23 O 8.701434 9.932046 8.787217 6.481200 4.099032 24 O 7.126916 8.499564 7.134774 6.193122 3.632243 25 H 4.562857 6.007027 4.780553 4.214782 2.152687 26 H 6.178325 7.102246 6.691196 2.513427 2.130359 27 C 9.783646 10.948307 9.906274 7.118868 5.004133 28 C 7.623384 8.817835 7.299525 7.018594 4.466150 29 H 10.662288 11.852174 10.728024 8.158213 5.957300 30 H 9.892227 11.112620 10.198299 6.942087 5.053110 31 H 9.841932 10.861338 9.858213 7.057134 5.093659 32 H 8.240287 9.478209 7.899495 7.935918 5.399890 33 H 8.335718 9.442280 7.964663 7.332386 4.775142 34 H 6.919605 7.995866 6.416405 6.700102 4.287434 16 17 18 19 20 16 O 0.000000 17 C 3.811668 0.000000 18 C 4.952381 1.387157 0.000000 19 C 5.177413 2.404730 1.386768 0.000000 20 C 4.350977 2.782756 2.416152 1.406591 0.000000 21 C 3.005955 2.411500 2.777139 2.403555 1.370859 22 H 5.878266 2.125642 1.071773 2.142426 3.394001 23 O 6.456399 3.655720 2.409796 1.336502 2.323765 24 O 5.160156 4.136533 3.651991 2.392472 1.354218 25 H 2.682495 3.385528 3.849493 3.373076 2.112665 26 H 4.108611 1.072498 2.138674 3.377422 3.855189 27 C 7.486287 4.213412 2.827584 2.374507 3.630838 28 C 6.007232 4.938480 4.397010 3.146757 2.341786 29 H 8.381244 5.256478 3.877477 3.229547 4.310644 30 H 7.460729 4.143789 2.822996 2.693391 3.986273 31 H 7.677782 4.164780 2.832159 2.718287 4.031747 32 H 6.708246 5.933258 5.366523 4.053483 3.224956 33 H 6.658091 4.962862 4.195454 2.968974 2.658329 34 H 5.606712 4.931863 4.644031 3.592697 2.634460 21 22 23 24 25 21 C 0.000000 22 H 3.848838 0.000000 23 O 3.585183 2.696549 0.000000 24 O 2.359967 4.529456 2.667917 0.000000 25 H 1.072439 4.921168 4.435207 2.581908 0.000000 26 H 3.382817 2.448678 4.540204 5.208839 4.272217 27 C 4.774879 2.543132 1.402953 4.067165 5.710437 28 C 3.241698 5.192094 3.154782 1.410432 3.350338 29 H 5.568291 3.616944 1.991283 4.444977 6.422749 30 H 4.993861 2.362073 2.059719 4.557714 5.963552 31 H 5.044835 2.341930 2.061500 4.623701 6.025336 32 H 4.094382 6.138461 3.873021 2.004913 4.027767 33 H 3.747226 4.817544 2.664528 2.063523 4.098783 34 H 3.115308 5.509934 3.889273 2.060717 3.045824 26 27 28 29 30 26 H 0.000000 27 C 4.870028 0.000000 28 C 5.986266 4.463036 0.000000 29 H 5.944302 1.078848 4.678544 0.000000 30 H 4.674603 1.083937 5.208151 1.764394 0.000000 31 H 4.689296 1.084273 4.833256 1.764533 1.772022 32 H 6.994184 5.133198 1.080037 5.164692 5.869610 33 H 5.965511 3.796064 1.082740 3.924900 4.683051 34 H 5.931410 5.182196 1.084633 5.516302 5.927825 31 32 33 34 31 H 0.000000 32 H 5.611132 0.000000 33 H 4.054319 1.765662 0.000000 34 H 5.390220 1.768154 1.771049 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.306592 2.112276 1.356607 2 1 0 3.045417 2.873797 2.072994 3 1 0 3.253386 2.502398 0.353636 4 1 0 4.291095 1.724430 1.565583 5 8 0 2.336490 1.072462 1.529179 6 15 0 2.248131 -0.261811 0.730448 7 16 0 1.253266 0.280078 -1.086627 8 8 0 1.560069 -1.358972 1.375240 9 8 0 3.710711 -0.503801 0.227302 10 6 0 4.175927 -1.766882 -0.273037 11 1 0 3.810421 -1.907038 -1.277044 12 1 0 5.252007 -1.708684 -0.263311 13 1 0 3.835001 -2.561695 0.371998 14 8 0 1.690833 1.609074 -1.438600 15 6 0 -0.456770 0.344557 -0.696718 16 8 0 1.491707 -0.824538 -1.981786 17 6 0 -1.056709 1.561856 -0.452240 18 6 0 -2.405863 1.608020 -0.133088 19 6 0 -3.143937 0.436806 -0.051650 20 6 0 -2.520889 -0.799635 -0.299688 21 6 0 -1.189082 -0.840013 -0.622045 22 1 0 -2.866846 2.559031 0.045155 23 8 0 -4.443766 0.381662 0.254356 24 8 0 -3.244301 -1.943942 -0.265868 25 1 0 -0.728293 -1.787149 -0.823873 26 1 0 -0.486731 2.467604 -0.522926 27 6 0 -5.170746 1.564256 0.457451 28 6 0 -3.436282 -2.510475 1.011435 29 1 0 -6.185872 1.258184 0.656832 30 1 0 -5.152202 2.192125 -0.425927 31 1 0 -4.790124 2.119860 1.307203 32 1 0 -4.002656 -3.417874 0.862005 33 1 0 -3.992545 -1.840041 1.654408 34 1 0 -2.483660 -2.749185 1.471822 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6172389 0.1843836 0.1696455 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.2808323585 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.55D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000355 0.000028 0.000026 Ang= 0.04 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1649.62376383 A.U. after 7 cycles NFock= 7 Conv=0.80D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 0.000007790 -0.000010439 -0.000009212 2 1 -0.000001080 -0.000005316 -0.000002750 3 1 0.000003336 0.000002037 -0.000001604 4 1 -0.000002576 -0.000000714 0.000004566 5 8 0.000007139 0.000033455 0.000021550 6 15 -0.000025488 -0.000046048 -0.000058936 7 16 0.000039421 0.000056773 0.000005937 8 8 -0.000009105 -0.000008979 0.000000957 9 8 0.000003451 0.000015255 0.000027924 10 6 0.000005932 -0.000005448 -0.000017009 11 1 -0.000004823 -0.000001590 0.000006406 12 1 -0.000000760 -0.000000795 -0.000001819 13 1 0.000002328 0.000002559 0.000004026 14 8 -0.000001948 -0.000006749 -0.000005499 15 6 -0.000028811 -0.000019795 0.000043562 16 8 -0.000004870 -0.000000934 -0.000007491 17 6 -0.000000265 -0.000019414 -0.000008524 18 6 0.000008735 0.000011870 0.000003265 19 6 -0.000021356 -0.000013684 0.000000128 20 6 -0.000002776 -0.000041383 -0.000003846 21 6 0.000011983 0.000017202 -0.000010775 22 1 -0.000000772 -0.000001271 0.000002580 23 8 0.000032145 0.000028737 0.000012255 24 8 0.000008397 0.000013198 -0.000019427 25 1 0.000000289 -0.000000391 0.000006016 26 1 -0.000000161 0.000004066 0.000000009 27 6 -0.000012665 -0.000010461 -0.000015281 28 6 -0.000008087 0.000002902 0.000028745 29 1 -0.000000018 -0.000000420 -0.000000000 30 1 0.000001505 0.000002526 -0.000001832 31 1 -0.000000819 0.000001480 0.000000511 32 1 -0.000000588 0.000004370 0.000006440 33 1 -0.000002551 0.000000282 -0.000006469 34 1 -0.000002934 -0.000002883 -0.000004402 ------------------------------------------------------------------- Cartesian Forces: Max 0.000058936 RMS 0.000015910 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000044040 RMS 0.000008828 Search for a local minimum. Step number 27 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 18 19 20 21 22 23 24 25 26 27 DE= -3.02D-07 DEPred=-2.31D-07 R= 1.31D+00 Trust test= 1.31D+00 RLast= 6.23D-03 DXMaxT set to 3.00D+00 ITU= 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 0 1 0 1 0 Eigenvalues --- 0.00122 0.00389 0.00579 0.00608 0.00715 Eigenvalues --- 0.01050 0.01660 0.01892 0.01978 0.02089 Eigenvalues --- 0.02517 0.02684 0.02739 0.02759 0.02842 Eigenvalues --- 0.02964 0.03053 0.03386 0.04779 0.09872 Eigenvalues --- 0.09966 0.10162 0.10259 0.10454 0.10495 Eigenvalues --- 0.10568 0.10610 0.10890 0.11065 0.11421 Eigenvalues --- 0.11742 0.13582 0.15758 0.15808 0.15877 Eigenvalues --- 0.15996 0.16004 0.16009 0.16032 0.16038 Eigenvalues --- 0.16048 0.16121 0.16153 0.16269 0.16332 Eigenvalues --- 0.16670 0.16761 0.17900 0.19147 0.20054 Eigenvalues --- 0.21551 0.22245 0.23317 0.24061 0.24695 Eigenvalues --- 0.24960 0.25062 0.25648 0.25835 0.26460 Eigenvalues --- 0.29098 0.32413 0.32962 0.33465 0.33486 Eigenvalues --- 0.33577 0.33805 0.33814 0.34245 0.34802 Eigenvalues --- 0.34849 0.34884 0.34922 0.34929 0.35340 Eigenvalues --- 0.36976 0.38573 0.38891 0.39405 0.39930 Eigenvalues --- 0.40139 0.42329 0.44932 0.45332 0.47687 Eigenvalues --- 0.47937 0.48773 0.50990 0.53046 0.58033 Eigenvalues --- 0.60229 0.70525 0.71829 0.75315 0.87429 Eigenvalues --- 1.14302 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 27 26 25 24 23 22 21 20 19 18 RFO step: Lambda=-1.50509800D-07. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. RFO-DIIS uses 4 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.63315 -0.64974 -0.04197 0.05857 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00100188 RMS(Int)= 0.00000030 Iteration 2 RMS(Cart)= 0.00000048 RMS(Int)= 0.00000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03647 0.00000 -0.00000 0.00000 0.00000 2.03647 R2 2.03616 0.00000 0.00000 -0.00001 -0.00000 2.03615 R3 2.03823 0.00000 0.00001 0.00000 0.00001 2.03824 R4 2.70706 -0.00001 -0.00008 0.00001 -0.00007 2.70699 R5 2.94340 -0.00001 -0.00008 0.00002 -0.00006 2.94335 R6 4.04647 0.00004 0.00015 0.00002 0.00017 4.04664 R7 2.73387 -0.00000 0.00000 -0.00001 -0.00000 2.73387 R8 2.95840 0.00001 -0.00001 0.00003 0.00001 2.95842 R9 2.72644 -0.00000 0.00003 -0.00002 0.00001 2.72645 R10 3.31667 -0.00004 0.00013 -0.00008 0.00005 3.31672 R11 2.72432 -0.00001 0.00001 -0.00001 0.00000 2.72432 R12 2.71367 0.00000 0.00008 -0.00004 0.00004 2.71371 R13 2.03641 0.00000 -0.00001 0.00001 -0.00001 2.03640 R14 2.03655 0.00000 -0.00001 0.00000 -0.00000 2.03655 R15 2.03883 -0.00000 -0.00000 0.00000 -0.00000 2.03883 R16 2.60584 -0.00000 -0.00002 -0.00001 -0.00002 2.60582 R17 2.63552 0.00001 0.00003 -0.00002 0.00001 2.63553 R18 2.62135 0.00001 0.00004 -0.00002 0.00002 2.62137 R19 2.02673 0.00000 0.00000 0.00000 0.00000 2.02673 R20 2.62061 -0.00000 0.00001 0.00000 0.00002 2.62063 R21 2.02536 -0.00000 0.00001 -0.00001 -0.00000 2.02535 R22 2.65807 0.00001 0.00006 0.00001 0.00007 2.65814 R23 2.52562 0.00002 -0.00021 0.00007 -0.00014 2.52549 R24 2.59055 -0.00001 -0.00001 -0.00000 -0.00001 2.59053 R25 2.55910 -0.00001 0.00002 -0.00002 -0.00000 2.55910 R26 2.02662 0.00000 -0.00001 0.00001 0.00000 2.02662 R27 2.65120 0.00001 -0.00002 0.00003 0.00001 2.65121 R28 2.66533 -0.00002 0.00004 -0.00009 -0.00005 2.66528 R29 2.03873 -0.00000 -0.00001 0.00000 -0.00000 2.03872 R30 2.04834 0.00000 -0.00000 0.00001 0.00000 2.04835 R31 2.04898 0.00000 -0.00001 0.00001 0.00000 2.04898 R32 2.04097 -0.00000 0.00000 -0.00001 -0.00001 2.04097 R33 2.04608 0.00001 -0.00002 0.00003 0.00000 2.04609 R34 2.04966 0.00000 -0.00002 0.00002 -0.00000 2.04966 A1 1.92941 0.00000 0.00001 0.00002 0.00002 1.92943 A2 1.92465 -0.00000 -0.00001 -0.00001 -0.00002 1.92463 A3 1.84287 -0.00000 0.00004 -0.00005 -0.00000 1.84286 A4 1.93437 -0.00000 -0.00003 0.00001 -0.00002 1.93435 A5 1.91932 -0.00001 -0.00001 -0.00003 -0.00004 1.91927 A6 1.91111 0.00001 0.00000 0.00007 0.00007 1.91117 A7 2.21235 -0.00000 0.00032 -0.00010 0.00022 2.21257 A8 1.81804 -0.00002 -0.00004 -0.00004 -0.00008 1.81795 A9 2.03542 0.00000 0.00002 -0.00002 0.00001 2.03542 A10 1.81752 0.00001 -0.00005 0.00007 0.00003 1.81754 A11 1.92747 0.00002 -0.00002 0.00010 0.00008 1.92755 A12 1.77261 -0.00002 0.00009 -0.00012 -0.00003 1.77258 A13 2.06048 -0.00000 -0.00000 -0.00001 -0.00001 2.06047 A14 1.87467 -0.00002 -0.00004 -0.00006 -0.00010 1.87457 A15 1.84778 0.00000 -0.00005 0.00002 -0.00003 1.84775 A16 1.82985 0.00001 0.00009 0.00002 0.00011 1.82995 A17 1.89215 0.00000 0.00003 -0.00002 0.00002 1.89216 A18 2.09920 0.00000 -0.00009 0.00006 -0.00002 2.09918 A19 1.90418 -0.00000 0.00006 -0.00003 0.00003 1.90421 A20 2.15388 -0.00001 0.00007 -0.00004 0.00003 2.15391 A21 1.90619 -0.00000 -0.00003 -0.00001 -0.00003 1.90615 A22 1.84713 -0.00000 0.00005 -0.00009 -0.00004 1.84709 A23 1.91484 0.00001 -0.00004 0.00009 0.00005 1.91489 A24 1.93275 -0.00000 0.00004 -0.00003 0.00001 1.93276 A25 1.93267 0.00000 -0.00001 0.00002 0.00001 1.93269 A26 1.92827 -0.00000 -0.00002 0.00001 -0.00001 1.92826 A27 2.08945 0.00001 -0.00003 0.00004 0.00001 2.08946 A28 2.08552 -0.00000 0.00004 -0.00004 -0.00000 2.08551 A29 2.10814 -0.00000 -0.00001 0.00001 -0.00001 2.10813 A30 2.08670 0.00000 -0.00001 0.00000 -0.00000 2.08669 A31 2.09742 0.00000 0.00000 0.00002 0.00002 2.09744 A32 2.09896 -0.00000 0.00000 -0.00003 -0.00002 2.09894 A33 2.09792 -0.00000 0.00004 -0.00001 0.00003 2.09795 A34 2.07844 -0.00000 -0.00001 -0.00002 -0.00003 2.07841 A35 2.10682 0.00000 -0.00003 0.00003 0.00000 2.10682 A36 2.09012 -0.00000 -0.00006 0.00001 -0.00004 2.09008 A37 2.17234 0.00001 -0.00004 0.00003 -0.00001 2.17233 A38 2.02072 -0.00000 0.00009 -0.00005 0.00005 2.02077 A39 2.09173 0.00000 0.00002 -0.00002 0.00000 2.09173 A40 2.09642 -0.00001 0.00009 -0.00002 0.00007 2.09650 A41 2.09435 0.00001 -0.00011 0.00003 -0.00008 2.09427 A42 2.09174 0.00000 0.00001 0.00001 0.00002 2.09176 A43 2.11115 -0.00001 -0.00001 -0.00002 -0.00003 2.11112 A44 2.08024 0.00000 -0.00000 0.00001 0.00000 2.08024 A45 2.09708 0.00000 0.00005 0.00001 0.00007 2.09715 A46 2.02055 -0.00001 0.00019 -0.00005 0.00014 2.02068 A47 1.84958 -0.00000 0.00002 -0.00004 -0.00002 1.84956 A48 1.94059 0.00000 -0.00002 0.00004 0.00001 1.94061 A49 1.94280 0.00000 -0.00006 0.00007 0.00001 1.94282 A50 1.90821 -0.00000 0.00001 -0.00004 -0.00002 1.90818 A51 1.90799 -0.00000 0.00005 -0.00003 0.00001 1.90801 A52 1.91333 -0.00000 0.00001 -0.00000 0.00000 1.91333 A53 1.85829 -0.00001 0.00001 -0.00013 -0.00012 1.85818 A54 1.93799 0.00001 0.00004 0.00002 0.00006 1.93805 A55 1.93184 0.00001 -0.00002 0.00007 0.00005 1.93189 A56 1.91025 0.00000 -0.00004 0.00002 -0.00001 1.91024 A57 1.91176 0.00000 -0.00000 0.00002 0.00002 1.91178 A58 1.91287 -0.00000 0.00001 0.00000 0.00001 1.91287 D1 3.13229 0.00001 0.00048 0.00023 0.00072 3.13300 D2 1.05048 0.00001 0.00046 0.00026 0.00072 1.05120 D3 -1.07897 0.00001 0.00050 0.00023 0.00073 -1.07824 D4 -1.41864 0.00001 -0.00025 0.00006 -0.00020 -1.41884 D5 2.73595 -0.00001 -0.00021 -0.00003 -0.00024 2.73571 D6 0.43257 -0.00001 -0.00018 -0.00007 -0.00025 0.43233 D7 0.61733 -0.00000 0.00023 -0.00019 0.00004 0.61737 D8 -1.40160 0.00000 0.00024 -0.00015 0.00009 -1.40152 D9 2.86929 -0.00000 0.00016 -0.00014 0.00002 2.86931 D10 2.81575 -0.00000 0.00022 -0.00018 0.00004 2.81579 D11 0.79682 0.00000 0.00023 -0.00014 0.00008 0.79690 D12 -1.21547 -0.00000 0.00015 -0.00013 0.00002 -1.21545 D13 -1.26734 -0.00000 0.00027 -0.00022 0.00005 -1.26729 D14 2.99691 0.00000 0.00027 -0.00018 0.00009 2.99701 D15 0.98462 -0.00000 0.00019 -0.00017 0.00003 0.98465 D16 2.86759 0.00001 0.00052 -0.00039 0.00013 2.86772 D17 -1.53052 -0.00001 0.00050 -0.00046 0.00003 -1.53049 D18 0.57884 0.00000 0.00054 -0.00043 0.00010 0.57894 D19 1.73861 -0.00002 -0.00047 -0.00023 -0.00070 1.73791 D20 -1.38940 -0.00002 -0.00039 -0.00022 -0.00061 -1.39001 D21 -0.26839 -0.00000 -0.00042 -0.00016 -0.00058 -0.26897 D22 2.88679 -0.00000 -0.00034 -0.00015 -0.00049 2.88630 D23 -2.58368 -0.00001 -0.00037 -0.00021 -0.00058 -2.58426 D24 0.57150 -0.00001 -0.00029 -0.00019 -0.00049 0.57101 D25 1.34229 0.00001 0.00089 0.00037 0.00126 1.34355 D26 -2.85958 0.00001 0.00095 0.00029 0.00124 -2.85834 D27 -0.77904 0.00001 0.00095 0.00029 0.00124 -0.77780 D28 -3.13196 0.00000 0.00009 -0.00002 0.00007 -3.13190 D29 0.02548 0.00000 0.00009 0.00005 0.00014 0.02562 D30 -0.00413 -0.00000 0.00001 -0.00004 -0.00003 -0.00416 D31 -3.12987 0.00000 0.00001 0.00003 0.00004 -3.12983 D32 3.12569 -0.00000 -0.00005 -0.00005 -0.00010 3.12559 D33 -0.02747 -0.00000 -0.00000 -0.00013 -0.00013 -0.02760 D34 -0.00218 -0.00000 0.00003 -0.00003 -0.00001 -0.00218 D35 3.12785 -0.00000 0.00008 -0.00011 -0.00003 3.12782 D36 0.00759 0.00000 -0.00002 0.00007 0.00004 0.00763 D37 -3.13025 0.00000 0.00001 0.00006 0.00006 -3.13018 D38 3.13332 -0.00000 -0.00002 -0.00000 -0.00003 3.13329 D39 -0.00452 0.00000 0.00001 -0.00002 -0.00001 -0.00452 D40 -0.00480 -0.00000 0.00000 -0.00003 -0.00003 -0.00483 D41 3.13606 0.00000 0.00008 0.00001 0.00008 3.13614 D42 3.13297 -0.00000 -0.00003 -0.00002 -0.00005 3.13292 D43 -0.00935 0.00000 0.00004 0.00002 0.00006 -0.00929 D44 -0.00152 -0.00000 0.00003 -0.00004 -0.00001 -0.00153 D45 -3.10326 0.00000 -0.00008 0.00026 0.00018 -3.10308 D46 3.14074 -0.00000 -0.00003 -0.00007 -0.00011 3.14063 D47 0.03900 0.00000 -0.00015 0.00023 0.00008 0.03908 D48 0.05304 -0.00002 -0.00112 -0.00019 -0.00131 0.05173 D49 -3.08926 -0.00002 -0.00105 -0.00015 -0.00120 -3.09046 D50 0.00498 0.00000 -0.00005 0.00007 0.00002 0.00500 D51 -3.12526 0.00000 -0.00010 0.00015 0.00005 -3.12521 D52 3.10676 -0.00000 0.00007 -0.00023 -0.00016 3.10660 D53 -0.02347 -0.00000 0.00002 -0.00015 -0.00013 -0.02360 D54 -1.46142 -0.00001 0.00029 -0.00027 0.00003 -1.46139 D55 1.72009 -0.00001 0.00018 0.00003 0.00021 1.72030 D56 3.11094 0.00000 0.00072 0.00007 0.00078 3.11172 D57 1.03920 0.00000 0.00070 0.00011 0.00082 1.04001 D58 -1.09956 0.00000 0.00075 0.00004 0.00079 -1.09877 D59 -3.11689 -0.00000 -0.00081 0.00025 -0.00056 -3.11745 D60 1.08827 0.00000 -0.00079 0.00030 -0.00050 1.08777 D61 -1.04043 -0.00000 -0.00081 0.00024 -0.00058 -1.04101 Item Value Threshold Converged? Maximum Force 0.000044 0.000450 YES RMS Force 0.000009 0.000300 YES Maximum Displacement 0.003490 0.001800 NO RMS Displacement 0.001002 0.001200 YES Predicted change in Energy=-7.451311D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.658226 -0.613527 -1.231498 2 1 0 -0.071517 -0.227260 -1.924039 3 1 0 0.744815 0.032806 -0.373750 4 1 0 0.395127 -1.615631 -0.931634 5 8 0 1.896334 -0.639317 -1.951504 6 15 0 3.280591 -1.104131 -1.409516 7 16 0 4.016175 0.591639 -0.328390 8 8 0 4.250032 -1.535793 -2.392772 9 8 0 2.924521 -2.088202 -0.245173 10 6 0 3.867403 -3.005133 0.331372 11 1 0 4.526304 -2.467071 0.992886 12 1 0 3.280789 -3.724416 0.879042 13 1 0 4.426948 -3.492296 -0.451960 14 8 0 2.882433 1.232648 0.292364 15 6 0 4.676502 1.680984 -1.535781 16 8 0 5.092237 0.075714 0.480471 17 6 0 3.930011 2.757404 -1.966539 18 6 0 4.450450 3.609657 -2.929370 19 6 0 5.709393 3.375163 -3.461559 20 6 0 6.460696 2.272113 -3.017227 21 6 0 5.945545 1.436743 -2.060143 22 1 0 3.868059 4.449949 -3.250966 23 8 0 6.289592 4.135631 -4.394887 24 8 0 7.708657 2.061443 -3.499009 25 1 0 6.533600 0.607689 -1.718108 26 1 0 2.959646 2.942206 -1.548817 27 6 0 5.648269 5.293876 -4.859071 28 6 0 7.783462 1.377019 -4.729950 29 1 0 6.322387 5.740518 -5.573202 30 1 0 5.467829 5.992640 -4.050311 31 1 0 4.711499 5.055689 -5.350372 32 1 0 8.833836 1.270427 -4.957608 33 1 0 7.299135 1.940009 -5.517858 34 1 0 7.328014 0.395806 -4.651120 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077654 0.000000 3 H 1.077486 1.771278 0.000000 4 H 1.078588 1.769237 1.775066 0.000000 5 O 1.432475 2.010717 2.065684 2.060812 0.000000 6 P 2.673795 3.502893 2.965737 2.969159 1.557552 7 S 3.680198 4.463845 3.319059 4.283449 2.939979 8 O 3.885898 4.539576 4.338606 4.123299 2.557006 9 O 2.878125 3.906142 3.044064 2.663154 2.463332 10 C 4.296646 5.321518 4.413256 3.947481 3.833239 11 H 4.831722 5.887713 4.734632 4.636308 4.350501 12 H 4.583650 5.596902 4.702910 4.006565 4.409823 13 H 4.806065 5.750102 5.098094 4.472979 4.097820 14 O 3.267662 3.971094 2.540225 3.974614 3.084086 15 C 4.637231 5.131844 4.418707 5.437172 3.644991 16 O 4.802744 5.704192 4.430757 5.188210 4.079162 17 C 4.754791 4.992219 4.483959 5.717505 3.959013 18 C 5.924442 6.015048 5.749503 6.909430 5.053069 19 C 6.811542 6.982860 6.734459 7.716862 5.738966 20 C 6.721934 7.078963 6.683843 7.500358 5.517752 21 C 5.731144 6.244395 5.644693 6.434102 4.551697 22 H 6.326142 6.257577 6.127331 7.364226 5.610431 23 O 8.017095 8.099605 7.984188 8.933972 6.933323 24 O 7.874367 8.261344 7.897956 8.579045 6.593329 25 H 6.020646 6.660864 5.970579 6.575906 4.807674 26 H 4.247406 4.401619 3.840686 5.266075 3.757671 27 C 8.541499 8.474272 8.475896 9.526885 7.598272 28 C 8.183546 8.493970 8.386056 8.830099 6.814958 29 H 9.555470 9.476960 9.524788 10.525659 8.567902 30 H 8.644040 8.596077 8.446513 9.661482 7.819426 31 H 8.095317 7.907373 8.107447 9.091910 7.204898 32 H 9.180075 9.526327 9.379537 9.785172 7.798251 33 H 8.306329 8.481692 8.547419 9.018944 6.968649 34 H 7.562978 7.910640 7.859145 8.120676 6.153256 6 7 8 9 10 6 P 0.000000 7 S 2.141390 0.000000 8 O 1.446700 2.973606 0.000000 9 O 1.565528 2.894855 2.583470 0.000000 10 C 2.643643 3.659807 3.118706 1.436034 0.000000 11 H 3.030007 3.370713 3.522255 2.059621 1.077619 12 H 3.478993 4.541697 4.053920 2.016923 1.077695 13 H 2.816804 4.106401 2.761513 2.066767 1.078901 14 O 2.918126 1.442775 4.092011 3.364337 4.350917 15 C 3.117912 1.755134 3.356184 4.352226 5.108874 16 O 2.871610 1.441646 3.400263 3.147710 3.318745 17 C 3.955183 2.716891 4.326157 5.239658 6.204124 18 C 5.089039 4.007758 5.177235 6.480662 7.397826 19 C 5.493089 4.520148 5.233501 6.924522 7.647707 20 C 4.908852 4.003688 4.447149 6.261084 6.766655 21 C 3.739163 2.726836 3.438224 4.984571 5.456032 22 H 5.880805 4.842515 6.059003 7.257581 8.271119 23 O 6.739557 5.853605 6.350852 8.202434 8.899159 24 O 5.830490 5.084051 5.111356 7.120040 7.422752 25 H 3.688851 2.875586 3.203805 4.739495 4.935732 26 H 4.061434 2.851466 4.736014 5.196703 6.303172 27 C 7.644593 6.730663 7.394733 9.121509 9.949157 28 C 6.120232 5.846623 5.141206 7.465272 7.756014 29 H 8.569599 7.703092 8.206979 10.060927 10.834083 30 H 7.881748 6.717946 7.804343 9.286953 10.135109 31 H 7.451257 6.755111 7.239337 8.960554 9.898059 32 H 7.004713 6.715673 5.955209 8.270878 8.421352 33 H 6.503381 6.287011 5.580716 7.947638 8.393135 34 H 5.398096 5.449093 4.278456 6.706222 6.954670 11 12 13 14 15 11 H 0.000000 12 H 1.773467 0.000000 13 H 1.774412 1.771758 0.000000 14 O 4.108645 5.007530 5.026395 0.000000 15 C 4.860357 6.082576 5.291481 2.600346 0.000000 16 O 2.654920 4.228615 3.747363 2.501422 2.610555 17 C 6.033978 7.108643 6.449779 2.919750 1.378942 18 C 7.233012 8.346301 7.521692 4.299816 2.390182 19 C 7.441335 8.668503 7.606861 5.164688 2.765090 20 C 6.502518 7.826307 6.629113 4.983758 2.393212 21 C 5.155094 6.509785 5.402575 3.867634 1.394661 22 H 8.141789 9.177260 8.439553 4.886478 3.355981 23 O 8.702468 9.932148 8.786432 6.481231 4.099004 24 O 7.128249 8.499972 7.134294 6.193048 3.632214 25 H 4.564304 6.007753 4.780271 4.214687 2.152677 26 H 6.178587 7.102216 6.690208 2.513662 2.130363 27 C 9.784502 10.948081 9.905103 7.119037 5.004155 28 C 7.624759 8.818134 7.299152 7.018871 4.466353 29 H 10.663205 11.851909 10.726820 8.158372 5.957309 30 H 9.893786 11.113183 10.197822 6.942666 5.053655 31 H 9.841907 10.860146 9.856139 7.057024 5.093228 32 H 8.242092 9.478991 7.899687 7.936171 5.400081 33 H 8.336710 9.442095 7.963839 7.332550 4.775169 34 H 6.921014 7.996183 6.416110 6.700860 4.288069 16 17 18 19 20 16 O 0.000000 17 C 3.811836 0.000000 18 C 4.952541 1.387168 0.000000 19 C 5.177532 2.404768 1.386777 0.000000 20 C 4.350947 2.782771 2.416160 1.406629 0.000000 21 C 3.005870 2.411490 2.777125 2.403582 1.370851 22 H 5.878450 2.125629 1.071771 2.142435 3.394020 23 O 6.456446 3.655681 2.409737 1.336430 2.323773 24 O 5.159946 4.136543 3.652037 2.392555 1.354217 25 H 2.682214 3.385508 3.849478 3.373107 2.112661 26 H 4.108860 1.072498 2.138671 3.377446 3.855204 27 C 7.486594 4.213411 2.827562 2.374497 3.630905 28 C 6.007043 4.938723 4.397241 3.146928 2.341863 29 H 8.381541 5.256467 3.877443 3.229506 4.310681 30 H 7.461841 4.144121 2.823150 2.693727 3.986899 31 H 7.677490 4.164512 2.832032 2.718010 4.031321 32 H 6.708174 5.933387 5.366546 4.053421 3.224941 33 H 6.657774 4.962962 4.195593 2.969059 2.658276 34 H 5.606637 4.932600 4.644743 3.593265 2.634839 21 22 23 24 25 21 C 0.000000 22 H 3.848821 0.000000 23 O 3.585163 2.696511 0.000000 24 O 2.359905 4.529535 2.668070 0.000000 25 H 1.072440 4.921151 4.435207 2.581816 0.000000 26 H 3.382819 2.448636 4.540145 5.208848 4.272209 27 C 4.774918 2.543100 1.402959 4.067381 5.710499 28 C 3.241817 5.192367 3.154973 1.410407 3.350405 29 H 5.568310 3.616915 1.991272 4.445179 6.422795 30 H 4.994514 2.361803 2.059735 4.558459 5.964288 31 H 5.044329 2.342182 2.061514 4.623420 6.024791 32 H 4.094531 6.138479 3.872883 2.004805 4.027985 33 H 3.747169 4.817767 2.664769 2.063542 4.098686 34 H 3.115755 5.510698 3.889764 2.060727 3.046071 26 27 28 29 30 26 H 0.000000 27 C 4.869992 0.000000 28 C 5.986536 4.462901 0.000000 29 H 5.944262 1.078846 4.678241 0.000000 30 H 4.674784 1.083938 5.208456 1.764378 0.000000 31 H 4.689096 1.084273 4.832649 1.764541 1.772025 32 H 6.994341 5.132805 1.080035 5.164112 5.869623 33 H 5.965639 3.795758 1.082742 3.924407 4.683075 34 H 5.932206 5.182265 1.084632 5.516110 5.928390 31 32 33 34 31 H 0.000000 32 H 5.610360 0.000000 33 H 4.053563 1.765653 0.000000 34 H 5.389770 1.768162 1.771054 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.306437 2.113458 1.355108 2 1 0 3.045395 2.875234 2.071274 3 1 0 3.253020 2.503194 0.351999 4 1 0 4.291007 1.725736 1.564023 5 8 0 2.336379 1.073743 1.528218 6 15 0 2.248117 -0.261275 0.730780 7 16 0 1.253321 0.279033 -1.086911 8 8 0 1.560083 -1.357852 1.376589 9 8 0 3.710719 -0.503704 0.227889 10 6 0 4.175987 -1.767211 -0.271378 11 1 0 3.811568 -1.907613 -1.275742 12 1 0 5.252076 -1.709413 -0.260440 13 1 0 3.834031 -2.561638 0.373586 14 8 0 1.691054 1.607699 -1.439952 15 6 0 -0.456738 0.344004 -0.697076 16 8 0 1.491704 -0.826321 -1.981176 17 6 0 -1.056410 1.561485 -0.452911 18 6 0 -2.405557 1.608016 -0.133738 19 6 0 -3.143901 0.436989 -0.051911 20 6 0 -2.521078 -0.799673 -0.299625 21 6 0 -1.189302 -0.840394 -0.622036 22 1 0 -2.866318 2.559191 0.044197 23 8 0 -4.443686 0.382255 0.254042 24 8 0 -3.244660 -1.943867 -0.265663 25 1 0 -0.728707 -1.787669 -0.823653 26 1 0 -0.486277 2.467111 -0.523910 27 6 0 -5.170121 1.565000 0.458243 28 6 0 -3.436999 -2.510234 1.011632 29 1 0 -6.185212 1.259156 0.658139 30 1 0 -5.151985 2.193322 -0.424823 31 1 0 -4.788740 2.120041 1.308023 32 1 0 -4.003976 -3.417237 0.862107 33 1 0 -3.992855 -1.839480 1.654628 34 1 0 -2.484555 -2.749605 1.472043 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6171802 0.1843825 0.1696434 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.2574056043 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.55D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000271 0.000007 0.000027 Ang= 0.03 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1649.62376394 A.U. after 7 cycles NFock= 7 Conv=0.45D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000001439 -0.000010632 0.000005340 2 1 -0.000002217 -0.000004098 -0.000001179 3 1 0.000001992 0.000003472 0.000000924 4 1 0.000002340 0.000000297 0.000002077 5 8 0.000004942 0.000031130 -0.000007066 6 15 -0.000000942 -0.000028250 -0.000018380 7 16 0.000019671 0.000041438 -0.000012531 8 8 -0.000006079 -0.000005592 0.000000696 9 8 0.000013305 0.000011352 0.000023259 10 6 -0.000012543 -0.000000411 -0.000019180 11 1 -0.000002584 0.000001919 0.000004685 12 1 0.000003297 -0.000004353 0.000001330 13 1 0.000001595 0.000005359 0.000002097 14 8 0.000003542 -0.000006047 -0.000011446 15 6 -0.000026856 -0.000036380 0.000053185 16 8 -0.000004609 -0.000001662 -0.000016584 17 6 0.000005070 -0.000006807 -0.000011795 18 6 0.000005380 0.000001100 0.000002604 19 6 -0.000041864 -0.000058195 0.000054787 20 6 -0.000008336 -0.000029784 0.000002898 21 6 -0.000000618 0.000014040 -0.000007576 22 1 0.000000346 0.000000605 0.000000143 23 8 0.000059589 0.000051098 -0.000041011 24 8 0.000002376 0.000036917 -0.000017798 25 1 0.000001418 -0.000000424 0.000004924 26 1 -0.000000797 0.000002435 0.000000134 27 6 -0.000007172 -0.000006694 -0.000008907 28 6 0.000002266 0.000005211 0.000022359 29 1 0.000000046 0.000000369 -0.000000598 30 1 0.000000887 0.000000100 -0.000000748 31 1 0.000000293 -0.000001881 0.000002397 32 1 -0.000001005 -0.000004629 -0.000004189 33 1 -0.000004542 0.000001340 -0.000003252 34 1 -0.000006753 -0.000002342 -0.000001602 ------------------------------------------------------------------- Cartesian Forces: Max 0.000059589 RMS 0.000017586 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000081880 RMS 0.000012078 Search for a local minimum. Step number 28 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 18 19 20 21 22 23 24 25 26 27 28 DE= -1.17D-07 DEPred=-7.45D-08 R= 1.57D+00 Trust test= 1.57D+00 RLast= 3.86D-03 DXMaxT set to 3.00D+00 ITU= 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 0 1 0 1 0 Eigenvalues --- 0.00119 0.00384 0.00391 0.00611 0.00732 Eigenvalues --- 0.01004 0.01313 0.01905 0.02026 0.02099 Eigenvalues --- 0.02516 0.02675 0.02689 0.02753 0.02799 Eigenvalues --- 0.02852 0.03030 0.03378 0.04786 0.09887 Eigenvalues --- 0.09971 0.10182 0.10290 0.10454 0.10490 Eigenvalues --- 0.10569 0.10660 0.10875 0.11064 0.11282 Eigenvalues --- 0.11808 0.13565 0.15741 0.15819 0.15880 Eigenvalues --- 0.15989 0.16005 0.16008 0.16013 0.16039 Eigenvalues --- 0.16048 0.16154 0.16188 0.16266 0.16368 Eigenvalues --- 0.16688 0.17052 0.18154 0.18791 0.20178 Eigenvalues --- 0.21200 0.22363 0.23364 0.24043 0.24698 Eigenvalues --- 0.24983 0.25074 0.25655 0.26175 0.26623 Eigenvalues --- 0.29617 0.32082 0.32782 0.33467 0.33488 Eigenvalues --- 0.33576 0.33686 0.33857 0.34309 0.34804 Eigenvalues --- 0.34851 0.34883 0.34920 0.34959 0.35302 Eigenvalues --- 0.37068 0.38611 0.39010 0.39344 0.39995 Eigenvalues --- 0.40363 0.42262 0.45243 0.45306 0.47622 Eigenvalues --- 0.48292 0.48884 0.50993 0.53040 0.58402 Eigenvalues --- 0.60600 0.70608 0.73021 0.79955 0.87434 Eigenvalues --- 1.26132 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 28 27 26 25 24 23 22 21 20 19 RFO step: Lambda=-1.47630602D-07. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. RFO-DIIS uses 3 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.96290 -0.80931 -0.15359 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00111255 RMS(Int)= 0.00000051 Iteration 2 RMS(Cart)= 0.00000073 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03647 0.00000 0.00000 0.00000 0.00000 2.03647 R2 2.03615 0.00000 -0.00000 0.00000 0.00000 2.03615 R3 2.03824 -0.00000 0.00001 -0.00000 0.00001 2.03824 R4 2.70699 0.00000 -0.00008 0.00003 -0.00005 2.70693 R5 2.94335 0.00000 -0.00007 0.00002 -0.00005 2.94330 R6 4.04664 0.00000 0.00018 -0.00001 0.00017 4.04681 R7 2.73387 -0.00000 -0.00000 -0.00000 -0.00001 2.73386 R8 2.95842 -0.00000 0.00001 0.00000 0.00001 2.95843 R9 2.72645 -0.00001 0.00002 -0.00001 0.00001 2.72646 R10 3.31672 -0.00006 0.00010 -0.00011 -0.00001 3.31671 R11 2.72432 -0.00001 0.00000 -0.00001 -0.00001 2.72431 R12 2.71371 -0.00001 0.00005 -0.00003 0.00002 2.71373 R13 2.03640 0.00000 -0.00001 0.00001 -0.00000 2.03640 R14 2.03655 0.00000 -0.00000 0.00001 0.00000 2.03655 R15 2.03883 -0.00000 -0.00000 -0.00001 -0.00001 2.03882 R16 2.60582 0.00000 -0.00002 0.00001 -0.00002 2.60581 R17 2.63553 0.00000 0.00001 0.00001 0.00002 2.63555 R18 2.62137 -0.00000 0.00003 -0.00000 0.00002 2.62139 R19 2.02673 0.00000 0.00000 0.00000 0.00000 2.02673 R20 2.62063 -0.00001 0.00002 -0.00003 -0.00001 2.62062 R21 2.02535 0.00000 -0.00000 0.00000 0.00000 2.02536 R22 2.65814 -0.00003 0.00008 -0.00005 0.00003 2.65818 R23 2.52549 0.00008 -0.00019 0.00010 -0.00009 2.52540 R24 2.59053 -0.00001 -0.00001 -0.00001 -0.00002 2.59051 R25 2.55910 -0.00001 0.00000 0.00001 0.00001 2.55911 R26 2.02662 0.00000 -0.00000 0.00000 0.00000 2.02662 R27 2.65121 -0.00000 0.00001 -0.00002 -0.00001 2.65119 R28 2.66528 -0.00001 -0.00004 0.00001 -0.00003 2.66525 R29 2.03872 0.00000 -0.00000 0.00000 -0.00000 2.03872 R30 2.04835 -0.00000 0.00000 -0.00000 -0.00000 2.04835 R31 2.04898 -0.00000 -0.00000 -0.00000 -0.00000 2.04898 R32 2.04097 0.00000 -0.00000 0.00001 0.00000 2.04097 R33 2.04609 0.00001 -0.00000 0.00001 0.00001 2.04609 R34 2.04966 0.00000 -0.00001 0.00001 0.00000 2.04966 A1 1.92943 0.00000 0.00002 0.00001 0.00003 1.92946 A2 1.92463 -0.00000 -0.00002 0.00000 -0.00002 1.92462 A3 1.84286 0.00000 0.00001 0.00002 0.00002 1.84288 A4 1.93435 0.00000 -0.00003 0.00001 -0.00002 1.93434 A5 1.91927 -0.00000 -0.00004 0.00000 -0.00004 1.91924 A6 1.91117 -0.00000 0.00006 -0.00004 0.00002 1.91120 A7 2.21257 -0.00003 0.00028 -0.00011 0.00017 2.21274 A8 1.81795 -0.00002 -0.00007 -0.00002 -0.00009 1.81786 A9 2.03542 0.00000 0.00001 0.00001 0.00002 2.03544 A10 1.81754 0.00001 0.00001 0.00000 0.00001 1.81755 A11 1.92755 0.00002 0.00005 0.00006 0.00012 1.92767 A12 1.77258 -0.00001 0.00000 -0.00007 -0.00007 1.77251 A13 2.06047 -0.00000 -0.00001 -0.00001 -0.00001 2.06046 A14 1.87457 -0.00001 -0.00009 -0.00004 -0.00013 1.87444 A15 1.84775 0.00001 -0.00004 0.00004 -0.00000 1.84775 A16 1.82995 -0.00000 0.00011 -0.00003 0.00008 1.83004 A17 1.89216 0.00000 0.00002 0.00001 0.00003 1.89219 A18 2.09918 0.00001 -0.00004 0.00004 -0.00001 2.09917 A19 1.90421 -0.00001 0.00004 -0.00002 0.00002 1.90423 A20 2.15391 -0.00001 0.00006 -0.00005 0.00000 2.15391 A21 1.90615 -0.00001 -0.00003 -0.00004 -0.00008 1.90608 A22 1.84709 0.00001 -0.00002 0.00007 0.00005 1.84714 A23 1.91489 -0.00000 0.00004 -0.00002 0.00002 1.91491 A24 1.93276 -0.00000 0.00002 -0.00001 0.00001 1.93277 A25 1.93269 0.00000 0.00001 -0.00001 0.00000 1.93269 A26 1.92826 0.00000 -0.00001 0.00001 -0.00000 1.92826 A27 2.08946 0.00001 0.00000 0.00002 0.00002 2.08948 A28 2.08551 -0.00000 0.00000 -0.00000 0.00000 2.08551 A29 2.10813 -0.00001 -0.00001 -0.00002 -0.00002 2.10810 A30 2.08669 0.00000 -0.00001 0.00002 0.00001 2.08671 A31 2.09744 0.00000 0.00002 -0.00001 0.00002 2.09746 A32 2.09894 -0.00000 -0.00002 -0.00001 -0.00003 2.09891 A33 2.09795 -0.00000 0.00004 -0.00003 0.00001 2.09796 A34 2.07841 0.00000 -0.00004 0.00002 -0.00001 2.07839 A35 2.10682 0.00000 -0.00000 0.00000 0.00000 2.10682 A36 2.09008 0.00001 -0.00006 0.00003 -0.00003 2.09005 A37 2.17233 0.00001 -0.00001 0.00001 -0.00001 2.17233 A38 2.02077 -0.00002 0.00007 -0.00004 0.00003 2.02081 A39 2.09173 0.00001 0.00001 0.00000 0.00001 2.09173 A40 2.09650 -0.00004 0.00010 -0.00010 -0.00000 2.09650 A41 2.09427 0.00003 -0.00011 0.00011 -0.00000 2.09426 A42 2.09176 -0.00000 0.00002 -0.00000 0.00002 2.09178 A43 2.11112 -0.00000 -0.00002 -0.00001 -0.00003 2.11109 A44 2.08024 0.00000 0.00000 0.00001 0.00001 2.08026 A45 2.09715 -0.00001 0.00008 -0.00007 0.00001 2.09716 A46 2.02068 -0.00004 0.00018 -0.00009 0.00009 2.02077 A47 1.84956 0.00000 -0.00001 0.00002 0.00001 1.84957 A48 1.94061 0.00000 0.00001 -0.00001 -0.00000 1.94061 A49 1.94282 -0.00000 -0.00000 -0.00004 -0.00004 1.94278 A50 1.90818 -0.00000 -0.00002 0.00001 -0.00001 1.90818 A51 1.90801 0.00000 0.00003 0.00001 0.00004 1.90805 A52 1.91333 0.00000 0.00000 -0.00000 0.00000 1.91334 A53 1.85818 0.00001 -0.00011 0.00013 0.00002 1.85819 A54 1.93805 -0.00000 0.00007 -0.00004 0.00003 1.93808 A55 1.93189 -0.00000 0.00004 -0.00002 0.00002 1.93190 A56 1.91024 -0.00000 -0.00002 -0.00000 -0.00002 1.91021 A57 1.91178 -0.00000 0.00001 -0.00001 -0.00000 1.91178 A58 1.91287 -0.00000 0.00001 -0.00004 -0.00004 1.91284 D1 3.13300 0.00001 0.00078 0.00011 0.00089 3.13390 D2 1.05120 0.00000 0.00077 0.00009 0.00086 1.05206 D3 -1.07824 0.00001 0.00079 0.00010 0.00089 -1.07735 D4 -1.41884 0.00001 -0.00019 -0.00004 -0.00022 -1.41906 D5 2.73571 -0.00000 -0.00020 -0.00011 -0.00032 2.73539 D6 0.43233 -0.00001 -0.00021 -0.00012 -0.00032 0.43200 D7 0.61737 -0.00000 0.00010 -0.00008 0.00002 0.61739 D8 -1.40152 -0.00000 0.00014 -0.00009 0.00005 -1.40147 D9 2.86931 -0.00000 0.00006 -0.00007 -0.00001 2.86930 D10 2.81579 -0.00000 0.00009 -0.00003 0.00006 2.81585 D11 0.79690 -0.00000 0.00013 -0.00005 0.00008 0.79699 D12 -1.21545 0.00000 0.00005 -0.00003 0.00002 -1.21543 D13 -1.26729 -0.00000 0.00011 -0.00005 0.00006 -1.26724 D14 2.99701 -0.00000 0.00015 -0.00006 0.00009 2.99709 D15 0.98465 0.00000 0.00008 -0.00005 0.00003 0.98468 D16 2.86772 0.00001 0.00031 -0.00008 0.00023 2.86794 D17 -1.53049 -0.00001 0.00023 -0.00012 0.00011 -1.53038 D18 0.57894 0.00000 0.00029 -0.00009 0.00020 0.57914 D19 1.73791 -0.00001 -0.00078 -0.00001 -0.00079 1.73711 D20 -1.39001 -0.00001 -0.00068 0.00003 -0.00065 -1.39067 D21 -0.26897 -0.00000 -0.00067 0.00001 -0.00066 -0.26962 D22 2.88630 -0.00000 -0.00057 0.00005 -0.00052 2.88578 D23 -2.58426 -0.00001 -0.00066 -0.00003 -0.00069 -2.58495 D24 0.57101 -0.00001 -0.00056 0.00001 -0.00055 0.57046 D25 1.34355 0.00001 0.00149 0.00025 0.00174 1.34529 D26 -2.85834 0.00001 0.00148 0.00025 0.00174 -2.85660 D27 -0.77780 0.00001 0.00147 0.00030 0.00177 -0.77603 D28 -3.13190 0.00000 0.00008 0.00009 0.00017 -3.13173 D29 0.02562 0.00000 0.00014 0.00004 0.00018 0.02580 D30 -0.00416 0.00000 -0.00003 0.00005 0.00003 -0.00413 D31 -3.12983 0.00000 0.00004 0.00000 0.00004 -3.12978 D32 3.12559 -0.00000 -0.00010 -0.00004 -0.00014 3.12545 D33 -0.02760 -0.00000 -0.00011 -0.00005 -0.00016 -0.02776 D34 -0.00218 -0.00000 0.00000 -0.00000 -0.00000 -0.00218 D35 3.12782 -0.00000 -0.00001 -0.00001 -0.00002 3.12779 D36 0.00763 -0.00000 0.00003 -0.00004 -0.00001 0.00763 D37 -3.13018 -0.00000 0.00006 -0.00003 0.00003 -3.13015 D38 3.13329 0.00000 -0.00004 0.00002 -0.00002 3.13327 D39 -0.00452 0.00000 -0.00001 0.00002 0.00001 -0.00451 D40 -0.00483 -0.00000 -0.00002 -0.00003 -0.00005 -0.00488 D41 3.13614 0.00000 0.00010 -0.00003 0.00007 3.13621 D42 3.13292 -0.00000 -0.00005 -0.00003 -0.00008 3.13284 D43 -0.00929 -0.00000 0.00007 -0.00003 0.00003 -0.00926 D44 -0.00153 0.00000 -0.00000 0.00008 0.00008 -0.00145 D45 -3.10308 -0.00000 0.00016 -0.00019 -0.00003 -3.10311 D46 3.14063 0.00000 -0.00011 0.00008 -0.00003 3.14060 D47 0.03908 -0.00000 0.00005 -0.00019 -0.00013 0.03895 D48 0.05173 -0.00001 -0.00156 0.00004 -0.00152 0.05021 D49 -3.09046 -0.00001 -0.00144 0.00004 -0.00141 -3.09187 D50 0.00500 -0.00000 0.00001 -0.00006 -0.00005 0.00494 D51 -3.12521 0.00000 0.00002 -0.00005 -0.00003 -3.12524 D52 3.10660 0.00000 -0.00015 0.00020 0.00005 3.10665 D53 -0.02360 0.00000 -0.00013 0.00021 0.00007 -0.02353 D54 -1.46139 -0.00000 0.00013 -0.00033 -0.00020 -1.46159 D55 1.72030 -0.00001 0.00029 -0.00060 -0.00031 1.71999 D56 3.11172 0.00000 0.00094 0.00002 0.00097 3.11269 D57 1.04001 0.00000 0.00097 -0.00000 0.00097 1.04098 D58 -1.09877 0.00000 0.00096 0.00003 0.00100 -1.09777 D59 -3.11745 0.00000 -0.00075 0.00050 -0.00026 -3.11770 D60 1.08777 -0.00000 -0.00069 0.00044 -0.00025 1.08751 D61 -1.04101 0.00001 -0.00078 0.00054 -0.00024 -1.04124 Item Value Threshold Converged? Maximum Force 0.000082 0.000450 YES RMS Force 0.000012 0.000300 YES Maximum Displacement 0.004513 0.001800 NO RMS Displacement 0.001113 0.001200 YES Predicted change in Energy=-7.235862D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.658052 -0.612556 -1.231004 2 1 0 -0.071829 -0.226512 -1.923524 3 1 0 0.744722 0.033949 -0.373394 4 1 0 0.395072 -1.614620 -0.930886 5 8 0 1.896053 -0.638368 -1.951136 6 15 0 3.280292 -1.103902 -1.409793 7 16 0 4.016730 0.591335 -0.328234 8 8 0 4.249227 -1.535654 -2.393504 9 8 0 2.924253 -2.088192 -0.245616 10 6 0 3.867057 -3.005493 0.330494 11 1 0 4.525076 -2.467974 0.993326 12 1 0 3.280333 -3.725837 0.876654 13 1 0 4.427559 -3.491285 -0.452998 14 8 0 2.883246 1.232315 0.293036 15 6 0 4.676947 1.680946 -1.535433 16 8 0 5.092884 0.074910 0.480179 17 6 0 3.930259 2.757197 -1.966245 18 6 0 4.450554 3.609547 -2.929084 19 6 0 5.709562 3.375328 -3.461231 20 6 0 6.461105 2.272464 -3.016790 21 6 0 5.946082 1.436996 -2.059737 22 1 0 3.867995 4.449721 -3.250689 23 8 0 6.289619 4.135931 -4.394469 24 8 0 7.709124 2.062021 -3.498539 25 1 0 6.534294 0.608078 -1.717638 26 1 0 2.959843 2.941835 -1.548566 27 6 0 5.647264 5.293078 -4.859942 28 6 0 7.784229 1.377299 -4.729277 29 1 0 6.321032 5.739604 -5.574475 30 1 0 5.466090 5.992528 -4.051940 31 1 0 4.710763 5.053455 -5.351055 32 1 0 8.834644 1.271215 -4.956988 33 1 0 7.299547 1.939780 -5.517337 34 1 0 7.329317 0.395860 -4.650163 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077655 0.000000 3 H 1.077486 1.771299 0.000000 4 H 1.078592 1.769229 1.775058 0.000000 5 O 1.432447 2.010709 2.065634 2.060806 0.000000 6 P 2.673861 3.502920 2.966132 2.968952 1.557527 7 S 3.680362 4.464319 3.319451 4.283203 2.939940 8 O 3.885879 4.539412 4.338900 4.123106 2.556998 9 O 2.878221 3.906115 3.044695 2.662822 2.463327 10 C 4.296759 5.321481 4.413914 3.947187 3.833272 11 H 4.831572 5.887589 4.734830 4.635486 4.350755 12 H 4.583786 5.596719 4.704034 4.006142 4.409659 13 H 4.806408 5.750277 5.098716 4.473388 4.097813 14 O 3.267681 3.971622 2.540373 3.974170 3.083879 15 C 4.637279 5.132240 4.418747 5.436974 3.644914 16 O 4.802968 5.704640 4.431340 5.187972 4.079190 17 C 4.754278 4.992099 4.483402 5.716843 3.958293 18 C 5.923910 6.014853 5.748882 6.908810 5.052390 19 C 6.811380 6.982999 6.734180 7.716607 5.738727 20 C 6.722188 7.079502 6.683975 7.500478 5.517994 21 C 5.731556 6.245084 5.645036 6.434312 4.552105 22 H 6.325308 6.257056 6.126394 7.363350 5.609461 23 O 8.016870 8.099661 7.983807 8.933696 6.933053 24 O 7.874814 8.262039 7.898259 8.579387 6.593811 25 H 6.021377 6.661816 5.971244 6.576428 4.808474 26 H 4.246503 4.401142 3.839738 5.265060 3.756536 27 C 8.540372 8.473278 8.474813 9.525717 7.597025 28 C 8.184122 8.494828 8.386475 8.830571 6.815541 29 H 9.554321 9.475899 9.523706 10.524473 8.566654 30 H 8.643035 8.595066 8.445571 9.660481 7.818396 31 H 8.093391 7.905644 8.105678 9.089901 7.202700 32 H 9.180861 9.527348 9.380138 9.785904 7.799083 33 H 8.306415 8.482069 8.547401 9.018928 6.968671 34 H 7.563950 7.911945 7.859938 8.121503 6.154245 6 7 8 9 10 6 P 0.000000 7 S 2.141481 0.000000 8 O 1.446698 2.973799 0.000000 9 O 1.565534 2.894856 2.583462 0.000000 10 C 2.643660 3.659712 3.118758 1.436044 0.000000 11 H 3.030702 3.371099 3.523625 2.059574 1.077618 12 H 3.478847 4.542247 4.053344 2.016969 1.077697 13 H 2.816252 4.105135 2.760772 2.066787 1.078896 14 O 2.918078 1.442781 4.092072 3.364162 4.350666 15 C 3.117982 1.755126 3.356448 4.352236 5.108847 16 O 2.871774 1.441643 3.400549 3.147817 3.318726 17 C 3.954767 2.716894 4.325836 5.239313 6.203837 18 C 5.088651 4.007772 5.176917 6.480341 7.397572 19 C 5.493019 4.520173 5.233580 6.924461 7.647671 20 C 4.909161 4.003686 4.447769 6.261313 6.766848 21 C 3.739656 2.726838 3.439093 4.984921 5.456305 22 H 5.880224 4.842522 6.058450 7.257094 8.270737 23 O 6.739451 5.853585 6.350900 8.202339 8.899102 24 O 5.830993 5.084046 5.112264 7.120446 7.423117 25 H 3.689739 2.875561 3.205294 4.740160 4.936284 26 H 4.060780 2.851503 4.735434 5.196163 6.302746 27 C 7.643784 6.730632 7.393875 9.120851 9.948670 28 C 6.120522 5.846450 5.141728 7.465400 7.755926 29 H 8.568796 7.703086 8.206115 10.060280 10.833623 30 H 7.881496 6.718595 7.804145 9.286930 10.135434 31 H 7.449352 6.754327 7.237159 8.958808 9.896388 32 H 7.005327 6.715646 5.956174 8.271358 8.421676 33 H 6.503101 6.286651 5.580449 7.947250 8.392547 34 H 5.398508 5.448901 4.279043 6.706350 6.954380 11 12 13 14 15 11 H 0.000000 12 H 1.773475 0.000000 13 H 1.774409 1.771755 0.000000 14 O 4.108302 5.008149 5.025322 0.000000 15 C 4.861196 6.082926 5.290164 2.600371 0.000000 16 O 2.655558 4.229446 3.745828 2.501421 2.610564 17 C 6.034507 7.108741 6.448314 2.919906 1.378934 18 C 7.233749 8.346312 7.520196 4.299971 2.390193 19 C 7.442463 8.668618 7.605483 5.164793 2.765126 20 C 6.503921 7.826610 6.627906 4.983767 2.393226 21 C 5.156476 6.510258 5.401433 3.867609 1.394672 22 H 8.142354 9.177149 8.437996 4.886658 3.355984 23 O 8.703649 9.932166 8.785038 6.481286 4.098994 24 O 7.129928 8.500341 7.133246 6.193024 3.632230 25 H 4.566003 6.008447 4.779375 4.214573 2.152668 26 H 6.178770 7.102271 6.688758 2.513926 2.130366 27 C 9.785396 10.947681 9.903225 7.119183 5.004135 28 C 7.626034 8.817796 7.297733 7.018852 4.466323 29 H 10.664231 11.851476 10.724929 8.158537 5.957314 30 H 9.895469 11.113739 10.196747 6.943308 5.054235 31 H 9.841623 10.858474 9.853109 7.056677 5.092537 32 H 8.243795 9.479044 7.898717 7.936208 5.400126 33 H 8.337548 9.441208 7.961929 7.332438 4.774996 34 H 6.922014 7.995521 6.414538 6.700927 4.288130 16 17 18 19 20 16 O 0.000000 17 C 3.812001 0.000000 18 C 4.952709 1.387180 0.000000 19 C 5.177621 2.404784 1.386773 0.000000 20 C 4.350869 2.782767 2.416154 1.406646 0.000000 21 C 3.005728 2.411475 2.777111 2.403592 1.370841 22 H 5.878665 2.125633 1.071773 2.142433 3.394021 23 O 6.456490 3.655648 2.409687 1.336382 2.323772 24 O 5.159798 4.136546 3.652039 2.392574 1.354222 25 H 2.681852 3.385485 3.849466 3.373124 2.112659 26 H 4.109127 1.072499 2.138665 3.377448 3.855201 27 C 7.486889 4.213345 2.827472 2.374455 3.630930 28 C 6.006496 4.938780 4.397388 3.147111 2.341920 29 H 8.381882 5.256413 3.877361 3.229474 4.310735 30 H 7.463082 4.144426 2.823245 2.694059 3.987539 31 H 7.676928 4.164004 2.831699 2.717563 4.030683 32 H 6.707809 5.933437 5.366603 4.053482 3.224989 33 H 6.657124 4.962915 4.195704 2.969246 2.658270 34 H 5.605806 4.932842 4.645124 3.593661 2.635023 21 22 23 24 25 21 C 0.000000 22 H 3.848808 0.000000 23 O 3.585141 2.696472 0.000000 24 O 2.359899 4.529548 2.668105 0.000000 25 H 1.072441 4.921139 4.435204 2.581817 0.000000 26 H 3.382817 2.448609 4.540092 5.208851 4.272201 27 C 4.774914 2.542979 1.402952 4.067482 5.710526 28 C 3.241727 5.192580 3.155314 1.410391 3.350225 29 H 5.568340 3.616790 1.991274 4.445327 6.422868 30 H 4.995211 2.361389 2.059728 4.559204 5.965092 31 H 5.043566 2.342282 2.061479 4.622841 6.023982 32 H 4.094549 6.138563 3.873006 2.004805 4.027995 33 H 3.746952 4.817991 2.665308 2.063550 4.098384 34 H 3.115704 5.511177 3.890306 2.060724 3.045784 26 27 28 29 30 26 H 0.000000 27 C 4.869885 0.000000 28 C 5.986601 4.462849 0.000000 29 H 5.944161 1.078846 4.678142 0.000000 30 H 4.674920 1.083938 5.208925 1.764373 0.000000 31 H 4.688665 1.084272 4.831866 1.764564 1.772025 32 H 6.994397 5.132659 1.080036 5.163916 5.870014 33 H 5.965591 3.795631 1.082746 3.924210 4.683345 34 H 5.932470 5.182283 1.084632 5.516031 5.928928 31 32 33 34 31 H 0.000000 32 H 5.609548 0.000000 33 H 4.052706 1.765642 0.000000 34 H 5.388996 1.768162 1.771035 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.306303 2.114651 1.353497 2 1 0 3.045562 2.876710 2.069472 3 1 0 3.252639 2.504008 0.350254 4 1 0 4.290903 1.726913 1.562262 5 8 0 2.336201 1.075120 1.527226 6 15 0 2.248021 -0.260696 0.731167 7 16 0 1.253357 0.277945 -1.087198 8 8 0 1.560033 -1.356659 1.378060 9 8 0 3.710644 -0.503580 0.228536 10 6 0 4.175903 -1.767514 -0.269688 11 1 0 3.812937 -1.907860 -1.274586 12 1 0 5.252013 -1.710440 -0.257089 13 1 0 3.832411 -2.561578 0.374899 14 8 0 1.691303 1.606256 -1.441328 15 6 0 -0.456718 0.343428 -0.697551 16 8 0 1.491722 -0.828203 -1.980481 17 6 0 -1.056128 1.561088 -0.453689 18 6 0 -2.405262 1.607994 -0.134464 19 6 0 -3.143866 0.437161 -0.052287 20 6 0 -2.521310 -0.799704 -0.299761 21 6 0 -1.189560 -0.840789 -0.622184 22 1 0 -2.865806 2.559325 0.043207 23 8 0 -4.443621 0.382822 0.253660 24 8 0 -3.245121 -1.943748 -0.265432 25 1 0 -0.729162 -1.788207 -0.823590 26 1 0 -0.485834 2.466592 -0.524965 27 6 0 -5.169368 1.565735 0.459280 28 6 0 -3.437282 -2.509982 1.011930 29 1 0 -6.184419 1.260203 0.659853 30 1 0 -5.151731 2.194636 -0.423383 31 1 0 -4.786964 2.120027 1.309087 32 1 0 -4.004715 -3.416741 0.862643 33 1 0 -3.992626 -1.838978 1.655115 34 1 0 -2.484799 -2.749753 1.472052 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6171198 0.1843871 0.1696473 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.2485619013 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.55D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000282 0.000005 0.000025 Ang= 0.03 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1649.62376403 A.U. after 7 cycles NFock= 7 Conv=0.57D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000007769 -0.000016875 0.000018745 2 1 -0.000000319 -0.000002024 -0.000001110 3 1 0.000001552 0.000004511 0.000001334 4 1 0.000002232 0.000002699 0.000001749 5 8 0.000001447 0.000031419 -0.000033676 6 15 0.000017059 -0.000006635 0.000022670 7 16 -0.000007491 0.000014911 -0.000027780 8 8 -0.000001868 0.000000447 -0.000000594 9 8 0.000016656 0.000003103 0.000020909 10 6 -0.000018744 0.000007861 -0.000019616 11 1 0.000000014 0.000001482 0.000003272 12 1 0.000001490 -0.000003066 0.000000052 13 1 0.000003722 0.000002063 0.000001779 14 8 0.000011375 -0.000002529 -0.000015291 15 6 -0.000014101 -0.000036778 0.000050023 16 8 -0.000001259 -0.000001522 -0.000019771 17 6 0.000003572 0.000002808 -0.000017748 18 6 -0.000003623 -0.000004185 0.000010103 19 6 -0.000049338 -0.000078528 0.000089670 20 6 -0.000010336 -0.000032921 -0.000016510 21 6 -0.000008447 0.000008466 0.000002311 22 1 0.000000728 -0.000001714 0.000001179 23 8 0.000078821 0.000055742 -0.000076311 24 8 0.000011036 0.000050969 -0.000005384 25 1 0.000001829 -0.000000974 0.000002904 26 1 -0.000001267 0.000000861 0.000000677 27 6 -0.000006647 -0.000003052 -0.000003169 28 6 -0.000007215 0.000002826 0.000014166 29 1 -0.000000141 0.000000027 -0.000000133 30 1 0.000000311 0.000001721 -0.000001559 31 1 0.000000369 0.000001929 -0.000000478 32 1 -0.000001442 -0.000004296 -0.000000937 33 1 -0.000004947 0.000004374 -0.000001432 34 1 -0.000007258 -0.000003120 -0.000000047 ------------------------------------------------------------------- Cartesian Forces: Max 0.000089670 RMS 0.000021750 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000120662 RMS 0.000015915 Search for a local minimum. Step number 29 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 18 19 20 21 22 23 24 25 26 27 28 29 DE= -9.01D-08 DEPred=-7.24D-08 R= 1.24D+00 Trust test= 1.24D+00 RLast= 4.71D-03 DXMaxT set to 3.00D+00 ITU= 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 0 1 0 1 0 Eigenvalues --- 0.00117 0.00310 0.00380 0.00613 0.00738 Eigenvalues --- 0.00965 0.01134 0.01900 0.02038 0.02135 Eigenvalues --- 0.02518 0.02678 0.02708 0.02752 0.02787 Eigenvalues --- 0.02856 0.03028 0.03372 0.04798 0.09897 Eigenvalues --- 0.10055 0.10142 0.10304 0.10456 0.10493 Eigenvalues --- 0.10570 0.10677 0.10889 0.11032 0.11341 Eigenvalues --- 0.11861 0.13562 0.15752 0.15837 0.15890 Eigenvalues --- 0.15963 0.16003 0.16006 0.16022 0.16040 Eigenvalues --- 0.16049 0.16155 0.16203 0.16297 0.16395 Eigenvalues --- 0.16700 0.17136 0.18496 0.18867 0.20122 Eigenvalues --- 0.21152 0.22458 0.23354 0.24001 0.24706 Eigenvalues --- 0.24910 0.25079 0.25719 0.26255 0.26552 Eigenvalues --- 0.28838 0.31845 0.33123 0.33470 0.33487 Eigenvalues --- 0.33588 0.33694 0.33903 0.34538 0.34803 Eigenvalues --- 0.34850 0.34885 0.34918 0.34999 0.35249 Eigenvalues --- 0.37156 0.38607 0.38920 0.39300 0.40009 Eigenvalues --- 0.40398 0.42363 0.45209 0.45336 0.47653 Eigenvalues --- 0.48590 0.48874 0.50744 0.52937 0.57992 Eigenvalues --- 0.60547 0.70564 0.73382 0.82440 0.87470 Eigenvalues --- 1.22462 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 29 28 27 26 25 24 23 22 21 20 RFO step: Lambda=-1.07208341D-07. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. DIIS inversion failure, remove point 3. RFO-DIIS uses 2 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.85319 -0.85319 0.00000 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00098783 RMS(Int)= 0.00000037 Iteration 2 RMS(Cart)= 0.00000052 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03647 0.00000 0.00000 -0.00000 0.00000 2.03648 R2 2.03615 0.00000 0.00000 0.00000 0.00000 2.03615 R3 2.03824 -0.00000 0.00001 -0.00000 0.00000 2.03824 R4 2.70693 0.00001 -0.00004 0.00004 -0.00000 2.70693 R5 2.94330 0.00001 -0.00004 0.00004 0.00000 2.94330 R6 4.04681 -0.00003 0.00015 -0.00006 0.00008 4.04690 R7 2.73386 -0.00000 -0.00000 0.00000 -0.00000 2.73386 R8 2.95843 -0.00000 0.00001 0.00001 0.00002 2.95845 R9 2.72646 -0.00002 0.00001 -0.00001 -0.00000 2.72646 R10 3.31671 -0.00006 -0.00001 -0.00009 -0.00010 3.31661 R11 2.72431 -0.00001 -0.00000 -0.00001 -0.00001 2.72430 R12 2.71373 -0.00002 0.00002 -0.00003 -0.00001 2.71372 R13 2.03640 0.00000 -0.00000 0.00001 0.00000 2.03641 R14 2.03655 0.00000 0.00000 0.00000 0.00000 2.03656 R15 2.03882 -0.00000 -0.00001 0.00000 -0.00001 2.03881 R16 2.60581 0.00001 -0.00001 0.00001 -0.00000 2.60580 R17 2.63555 -0.00000 0.00002 -0.00001 0.00001 2.63556 R18 2.62139 -0.00001 0.00002 -0.00002 0.00000 2.62139 R19 2.02673 0.00000 0.00000 0.00000 0.00000 2.02673 R20 2.62062 -0.00000 -0.00001 -0.00000 -0.00001 2.62061 R21 2.02536 -0.00000 0.00000 -0.00001 -0.00000 2.02535 R22 2.65818 -0.00004 0.00003 -0.00003 0.00000 2.65818 R23 2.52540 0.00012 -0.00008 0.00012 0.00004 2.52544 R24 2.59051 -0.00000 -0.00002 0.00000 -0.00002 2.59050 R25 2.55911 -0.00002 0.00001 -0.00002 -0.00001 2.55910 R26 2.02662 0.00000 0.00000 0.00000 0.00001 2.02663 R27 2.65119 0.00001 -0.00001 0.00001 0.00000 2.65120 R28 2.66525 -0.00001 -0.00003 -0.00001 -0.00004 2.66521 R29 2.03872 0.00000 -0.00000 0.00000 0.00000 2.03872 R30 2.04835 -0.00000 -0.00000 0.00000 0.00000 2.04835 R31 2.04898 -0.00000 -0.00000 0.00000 -0.00000 2.04898 R32 2.04097 -0.00000 0.00000 -0.00000 -0.00000 2.04097 R33 2.04609 0.00001 0.00001 0.00001 0.00002 2.04611 R34 2.04966 0.00001 0.00000 0.00001 0.00001 2.04966 A1 1.92946 0.00000 0.00003 0.00000 0.00003 1.92949 A2 1.92462 0.00000 -0.00002 0.00000 -0.00001 1.92460 A3 1.84288 0.00000 0.00002 -0.00002 -0.00000 1.84288 A4 1.93434 0.00000 -0.00001 0.00001 -0.00000 1.93433 A5 1.91924 -0.00000 -0.00003 -0.00001 -0.00004 1.91919 A6 1.91120 0.00000 0.00002 0.00001 0.00003 1.91123 A7 2.21274 -0.00005 0.00014 -0.00015 -0.00001 2.21273 A8 1.81786 -0.00001 -0.00008 0.00000 -0.00007 1.81779 A9 2.03544 0.00000 0.00002 -0.00001 0.00001 2.03545 A10 1.81755 0.00001 0.00001 0.00003 0.00004 1.81759 A11 1.92767 0.00001 0.00010 0.00003 0.00013 1.92780 A12 1.77251 -0.00001 -0.00006 -0.00005 -0.00011 1.77240 A13 2.06046 0.00000 -0.00001 -0.00000 -0.00001 2.06045 A14 1.87444 -0.00001 -0.00011 0.00000 -0.00011 1.87433 A15 1.84775 0.00001 -0.00000 0.00002 0.00002 1.84778 A16 1.83004 -0.00000 0.00007 -0.00003 0.00004 1.83008 A17 1.89219 -0.00000 0.00003 -0.00001 0.00002 1.89221 A18 2.09917 0.00001 -0.00000 0.00004 0.00003 2.09920 A19 1.90423 -0.00001 0.00002 -0.00003 -0.00001 1.90422 A20 2.15391 -0.00001 0.00000 -0.00001 -0.00001 2.15390 A21 1.90608 -0.00000 -0.00007 0.00000 -0.00007 1.90601 A22 1.84714 0.00000 0.00004 -0.00000 0.00004 1.84718 A23 1.91491 0.00000 0.00002 0.00004 0.00005 1.91496 A24 1.93277 -0.00000 0.00001 -0.00001 -0.00000 1.93277 A25 1.93269 -0.00000 0.00000 -0.00001 -0.00001 1.93268 A26 1.92826 -0.00000 -0.00000 -0.00001 -0.00001 1.92825 A27 2.08948 0.00000 0.00002 0.00001 0.00003 2.08952 A28 2.08551 -0.00000 0.00000 -0.00002 -0.00002 2.08550 A29 2.10810 -0.00000 -0.00002 0.00000 -0.00002 2.10809 A30 2.08671 0.00000 0.00001 0.00000 0.00001 2.08672 A31 2.09746 0.00000 0.00001 -0.00000 0.00001 2.09747 A32 2.09891 -0.00000 -0.00002 -0.00000 -0.00003 2.09888 A33 2.09796 -0.00001 0.00001 -0.00002 -0.00001 2.09795 A34 2.07839 0.00000 -0.00001 0.00000 -0.00001 2.07839 A35 2.10682 0.00000 0.00000 0.00002 0.00002 2.10684 A36 2.09005 0.00001 -0.00002 0.00003 0.00001 2.09006 A37 2.17233 0.00003 -0.00001 0.00002 0.00002 2.17234 A38 2.02081 -0.00003 0.00003 -0.00005 -0.00002 2.02078 A39 2.09173 0.00001 0.00001 -0.00001 -0.00000 2.09173 A40 2.09650 -0.00005 -0.00000 -0.00004 -0.00004 2.09645 A41 2.09426 0.00004 -0.00000 0.00005 0.00005 2.09431 A42 2.09178 -0.00001 0.00002 -0.00001 0.00001 2.09179 A43 2.11109 0.00000 -0.00003 -0.00000 -0.00003 2.11106 A44 2.08026 0.00000 0.00001 0.00001 0.00002 2.08028 A45 2.09716 0.00000 0.00001 -0.00002 -0.00001 2.09715 A46 2.02077 -0.00007 0.00008 -0.00011 -0.00003 2.02074 A47 1.84957 -0.00000 0.00001 -0.00002 -0.00001 1.84956 A48 1.94061 0.00000 -0.00000 0.00002 0.00002 1.94062 A49 1.94278 0.00000 -0.00003 0.00004 0.00000 1.94278 A50 1.90818 -0.00000 -0.00001 -0.00002 -0.00002 1.90815 A51 1.90805 -0.00000 0.00003 -0.00002 0.00001 1.90806 A52 1.91334 -0.00000 0.00000 -0.00000 -0.00000 1.91333 A53 1.85819 0.00001 0.00002 -0.00002 -0.00001 1.85819 A54 1.93808 -0.00001 0.00002 -0.00001 0.00001 1.93809 A55 1.93190 -0.00000 0.00001 0.00002 0.00004 1.93194 A56 1.91021 0.00000 -0.00002 0.00001 -0.00001 1.91021 A57 1.91178 0.00000 -0.00000 0.00000 -0.00000 1.91178 A58 1.91284 -0.00000 -0.00003 -0.00000 -0.00004 1.91280 D1 3.13390 0.00000 0.00076 -0.00002 0.00074 3.13464 D2 1.05206 0.00000 0.00074 -0.00001 0.00073 1.05279 D3 -1.07735 0.00001 0.00076 -0.00002 0.00074 -1.07660 D4 -1.41906 0.00000 -0.00019 0.00008 -0.00011 -1.41917 D5 2.73539 0.00000 -0.00027 0.00005 -0.00023 2.73517 D6 0.43200 -0.00001 -0.00028 0.00003 -0.00025 0.43175 D7 0.61739 -0.00001 0.00002 -0.00015 -0.00013 0.61726 D8 -1.40147 -0.00000 0.00004 -0.00016 -0.00012 -1.40159 D9 2.86930 0.00000 -0.00001 -0.00013 -0.00013 2.86917 D10 2.81585 -0.00000 0.00005 -0.00014 -0.00010 2.81575 D11 0.79699 -0.00000 0.00007 -0.00015 -0.00008 0.79691 D12 -1.21543 0.00000 0.00002 -0.00012 -0.00010 -1.21553 D13 -1.26724 -0.00000 0.00005 -0.00016 -0.00011 -1.26735 D14 2.99709 -0.00000 0.00007 -0.00017 -0.00010 2.99699 D15 0.98468 0.00000 0.00002 -0.00014 -0.00012 0.98456 D16 2.86794 0.00001 0.00020 -0.00032 -0.00013 2.86782 D17 -1.53038 -0.00001 0.00010 -0.00033 -0.00023 -1.53061 D18 0.57914 -0.00000 0.00017 -0.00034 -0.00016 0.57898 D19 1.73711 -0.00001 -0.00068 -0.00001 -0.00069 1.73642 D20 -1.39067 -0.00001 -0.00056 -0.00002 -0.00058 -1.39125 D21 -0.26962 -0.00000 -0.00056 -0.00003 -0.00059 -0.27021 D22 2.88578 -0.00000 -0.00044 -0.00003 -0.00048 2.88531 D23 -2.58495 -0.00001 -0.00059 -0.00005 -0.00064 -2.58558 D24 0.57046 -0.00001 -0.00047 -0.00006 -0.00053 0.56993 D25 1.34529 0.00000 0.00148 0.00027 0.00175 1.34705 D26 -2.85660 0.00000 0.00148 0.00026 0.00174 -2.85486 D27 -0.77603 0.00001 0.00151 0.00026 0.00178 -0.77425 D28 -3.13173 0.00000 0.00014 -0.00003 0.00011 -3.13162 D29 0.02580 0.00000 0.00016 -0.00000 0.00015 0.02595 D30 -0.00413 -0.00000 0.00003 -0.00003 -0.00000 -0.00413 D31 -3.12978 -0.00000 0.00004 0.00000 0.00004 -3.12974 D32 3.12545 -0.00000 -0.00012 -0.00001 -0.00013 3.12532 D33 -0.02776 -0.00000 -0.00014 -0.00004 -0.00018 -0.02794 D34 -0.00218 -0.00000 -0.00000 -0.00002 -0.00002 -0.00220 D35 3.12779 -0.00000 -0.00002 -0.00005 -0.00007 3.12773 D36 0.00763 0.00000 -0.00000 0.00004 0.00003 0.00766 D37 -3.13015 0.00000 0.00002 0.00002 0.00004 -3.13011 D38 3.13327 0.00000 -0.00002 0.00001 -0.00001 3.13326 D39 -0.00451 -0.00000 0.00001 -0.00001 0.00000 -0.00451 D40 -0.00488 -0.00000 -0.00004 -0.00000 -0.00004 -0.00492 D41 3.13621 -0.00000 0.00006 -0.00002 0.00004 3.13625 D42 3.13284 0.00000 -0.00007 0.00001 -0.00006 3.13279 D43 -0.00926 -0.00000 0.00003 -0.00000 0.00003 -0.00923 D44 -0.00145 -0.00000 0.00006 -0.00004 0.00003 -0.00143 D45 -3.10311 0.00000 -0.00002 0.00011 0.00008 -3.10303 D46 3.14060 0.00000 -0.00002 -0.00003 -0.00005 3.14055 D47 0.03895 0.00000 -0.00011 0.00012 0.00000 0.03895 D48 0.05021 -0.00001 -0.00129 0.00016 -0.00114 0.04908 D49 -3.09187 -0.00001 -0.00120 0.00015 -0.00105 -3.09292 D50 0.00494 0.00000 -0.00004 0.00005 0.00000 0.00495 D51 -3.12524 0.00000 -0.00003 0.00008 0.00005 -3.12518 D52 3.10665 -0.00000 0.00004 -0.00010 -0.00005 3.10660 D53 -0.02353 -0.00000 0.00006 -0.00007 -0.00000 -0.02353 D54 -1.46159 -0.00000 -0.00017 -0.00025 -0.00042 -1.46201 D55 1.71999 -0.00000 -0.00026 -0.00010 -0.00036 1.71963 D56 3.11269 0.00000 0.00082 -0.00012 0.00070 3.11339 D57 1.04098 0.00000 0.00083 -0.00010 0.00073 1.04171 D58 -1.09777 -0.00000 0.00085 -0.00014 0.00071 -1.09706 D59 -3.11770 0.00000 -0.00022 0.00051 0.00029 -3.11742 D60 1.08751 -0.00000 -0.00022 0.00051 0.00029 1.08781 D61 -1.04124 0.00001 -0.00020 0.00051 0.00030 -1.04094 Item Value Threshold Converged? Maximum Force 0.000121 0.000450 YES RMS Force 0.000016 0.000300 YES Maximum Displacement 0.004489 0.001800 NO RMS Displacement 0.000988 0.001200 YES Predicted change in Energy=-5.360458D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.657844 -0.611876 -1.230167 2 1 0 -0.072357 -0.226111 -1.922507 3 1 0 0.744746 0.034820 -0.372724 4 1 0 0.395134 -1.613918 -0.929739 5 8 0 1.895593 -0.637600 -1.950737 6 15 0 3.279927 -1.103630 -1.410061 7 16 0 4.017031 0.591195 -0.328220 8 8 0 4.248359 -1.535407 -2.394254 9 8 0 2.924152 -2.088087 -0.245935 10 6 0 3.866944 -3.005843 0.329451 11 1 0 4.524337 -2.468949 0.993413 12 1 0 3.280195 -3.727177 0.874279 13 1 0 4.428134 -3.490344 -0.454343 14 8 0 2.883752 1.232169 0.293423 15 6 0 4.677180 1.680969 -1.535234 16 8 0 5.093262 0.074366 0.479822 17 6 0 3.930333 2.757050 -1.966186 18 6 0 4.450559 3.609467 -2.929005 19 6 0 5.709655 3.375454 -3.461020 20 6 0 6.461379 2.272770 -3.016434 21 6 0 5.946425 1.437260 -2.059393 22 1 0 3.867874 4.449527 -3.250675 23 8 0 6.289714 4.136153 -4.394212 24 8 0 7.709507 2.062642 -3.498022 25 1 0 6.534775 0.608504 -1.717129 26 1 0 2.959845 2.941550 -1.548611 27 6 0 5.646611 5.292460 -4.860740 28 6 0 7.784919 1.377465 -4.728466 29 1 0 6.320189 5.738881 -5.575520 30 1 0 5.464806 5.992463 -4.053356 31 1 0 4.710363 5.051770 -5.351813 32 1 0 8.835390 1.271445 -4.955948 33 1 0 7.300297 1.939573 -5.516840 34 1 0 7.330124 0.395989 -4.649096 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077656 0.000000 3 H 1.077486 1.771318 0.000000 4 H 1.078592 1.769222 1.775057 0.000000 5 O 1.432447 2.010708 2.065604 2.060828 0.000000 6 P 2.673855 3.502920 2.966357 2.968692 1.557528 7 S 3.680357 4.464620 3.319546 4.282813 2.939897 8 O 3.885847 4.539316 4.339066 4.122901 2.557005 9 O 2.878205 3.906010 3.045097 2.662396 2.463370 10 C 4.296721 5.321308 4.414386 3.946705 3.833283 11 H 4.831438 5.887487 4.735029 4.634642 4.351109 12 H 4.583723 5.596345 4.704905 4.005486 4.409458 13 H 4.806513 5.750230 5.099097 4.473485 4.097695 14 O 3.267491 3.971839 2.540225 3.973607 3.083626 15 C 4.637377 5.132741 4.418741 5.436802 3.644945 16 O 4.802908 5.704831 4.431477 5.187444 4.079167 17 C 4.754006 4.992262 4.483037 5.716399 3.957784 18 C 5.923721 6.015103 5.748541 6.908494 5.051974 19 C 6.811483 6.983548 6.734072 7.716563 5.738695 20 C 6.722570 7.080309 6.684124 7.500664 5.518366 21 C 5.731986 6.245901 5.645277 6.434488 4.552592 22 H 6.324914 6.257079 6.125860 7.362882 5.608796 23 O 8.017039 8.100285 7.983731 8.933754 6.933079 24 O 7.875415 8.263053 7.898572 8.579815 6.594467 25 H 6.022024 6.662803 5.971680 6.576802 4.809298 26 H 4.245875 4.400923 3.839069 5.264317 3.755616 27 C 8.539909 8.473159 8.474276 9.525168 7.596306 28 C 8.184789 8.495978 8.386848 8.831060 6.816189 29 H 9.553866 9.475773 9.523180 10.523935 8.565957 30 H 8.642602 8.594844 8.445089 9.659999 7.817802 31 H 8.092450 7.905097 8.104765 9.088857 7.201332 32 H 9.181535 9.528504 9.380495 9.786398 7.799777 33 H 8.307084 8.483245 8.547822 9.019428 6.969200 34 H 7.564667 7.913155 7.860343 8.122033 6.154963 6 7 8 9 10 6 P 0.000000 7 S 2.141525 0.000000 8 O 1.446695 2.973961 0.000000 9 O 1.565542 2.894772 2.583458 0.000000 10 C 2.643654 3.659746 3.118690 1.436037 0.000000 11 H 3.031392 3.371729 3.524762 2.059522 1.077620 12 H 3.478679 4.542826 4.052716 2.016993 1.077699 13 H 2.815703 4.104129 2.759955 2.066815 1.078893 14 O 2.918008 1.442779 4.092094 3.364021 4.350714 15 C 3.118007 1.755074 3.356616 4.352147 5.108790 16 O 2.871849 1.441637 3.400815 3.147693 3.318758 17 C 3.954384 2.716870 4.325456 5.238990 6.203621 18 C 5.088306 4.007742 5.176541 6.480039 7.397329 19 C 5.492923 4.520123 5.233539 6.924311 7.647497 20 C 4.909393 4.003626 4.448233 6.261367 6.766816 21 C 3.740049 2.726783 3.439812 4.985062 5.456371 22 H 5.879719 4.842491 6.057860 7.256684 8.270420 23 O 6.739384 5.853555 6.350870 8.202217 8.898928 24 O 5.831469 5.084012 5.113101 7.120691 7.423233 25 H 3.690491 2.875482 3.206641 4.740528 4.936528 26 H 4.060188 2.851521 4.734821 5.195719 6.302495 27 C 7.643189 6.730614 7.393134 9.120345 9.948223 28 C 6.120669 5.846141 5.142045 7.465266 7.755414 29 H 8.568208 7.703075 8.205376 10.059770 10.833157 30 H 7.881322 6.719106 7.803921 9.286908 10.135663 31 H 7.447986 6.753808 7.235434 8.957572 9.895112 32 H 7.005530 6.715295 5.956638 8.271240 8.421169 33 H 6.503083 6.286473 5.580355 7.947020 8.391911 34 H 5.398546 5.448362 4.279238 6.706045 6.953560 11 12 13 14 15 11 H 0.000000 12 H 1.773477 0.000000 13 H 1.774401 1.771748 0.000000 14 O 4.108501 5.008959 5.024580 0.000000 15 C 4.862020 6.083203 5.288934 2.600344 0.000000 16 O 2.656296 4.230194 3.744626 2.501437 2.610507 17 C 6.035159 7.108877 6.446970 2.920005 1.378932 18 C 7.234498 8.346321 7.518762 4.300055 2.390201 19 C 7.443386 8.668590 7.604051 5.164808 2.765129 20 C 6.504991 7.826682 6.626604 4.983715 2.393230 21 C 5.157561 6.510501 5.400248 3.867528 1.394676 22 H 8.143006 9.177096 8.436523 4.886770 3.355984 23 O 8.704621 9.932077 8.783593 6.481329 4.099018 24 O 7.131172 8.500461 7.132114 6.192952 3.632247 25 H 4.567233 6.008811 4.778401 4.214409 2.152656 26 H 6.179242 7.102461 6.687493 2.514133 2.130372 27 C 9.786219 10.947339 9.901448 7.119322 5.004164 28 C 7.626677 8.817067 7.296006 7.018683 4.466194 29 H 10.665104 11.851064 10.723102 8.158679 5.957352 30 H 9.896962 11.114203 10.195647 6.943827 5.054728 31 H 9.841631 10.857233 9.850511 7.056525 5.092119 32 H 8.244430 9.478289 7.897024 7.935958 5.399972 33 H 8.338131 9.440322 7.960038 7.332493 4.775019 34 H 6.922298 7.994379 6.412572 6.700590 4.287822 16 17 18 19 20 16 O 0.000000 17 C 3.812107 0.000000 18 C 4.952788 1.387180 0.000000 19 C 5.177582 2.404774 1.386768 0.000000 20 C 4.350693 2.782758 2.416154 1.406647 0.000000 21 C 3.005492 2.411465 2.777108 2.403583 1.370832 22 H 5.878794 2.125627 1.071771 2.142437 3.394025 23 O 6.456456 3.655669 2.409714 1.336405 2.323776 24 O 5.159576 4.136530 3.652012 2.392540 1.354217 25 H 2.681391 3.385469 3.849465 3.373128 2.112667 26 H 4.109350 1.072500 2.138651 3.377430 3.855192 27 C 7.487076 4.213354 2.827473 2.374469 3.630956 28 C 6.005776 4.938753 4.397483 3.147237 2.341876 29 H 8.382079 5.256426 3.877365 3.229497 4.310775 30 H 7.464022 4.144729 2.823390 2.694355 3.988042 31 H 7.676531 4.163730 2.831560 2.717300 4.030247 32 H 6.707020 5.933404 5.366711 4.053625 3.224949 33 H 6.656573 4.963071 4.196004 2.969561 2.658352 34 H 5.604711 4.932666 4.645111 3.593696 2.634884 21 22 23 24 25 21 C 0.000000 22 H 3.848803 0.000000 23 O 3.585143 2.696515 0.000000 24 O 2.359918 4.529519 2.668035 0.000000 25 H 1.072444 4.921136 4.435215 2.581878 0.000000 26 H 3.382817 2.448577 4.540104 5.208836 4.272192 27 C 4.774935 2.542981 1.402953 4.067464 5.710567 28 C 3.241540 5.192752 3.155585 1.410371 3.349972 29 H 5.568374 3.616793 1.991270 4.445327 6.422927 30 H 4.995770 2.361174 2.059743 4.559667 5.965719 31 H 5.043070 2.342491 2.061481 4.622368 6.023455 32 H 4.094342 6.138760 3.873314 2.004782 4.027688 33 H 3.746896 4.818392 2.665808 2.063547 4.098240 34 H 3.115354 5.511255 3.890532 2.060737 3.045352 26 27 28 29 30 26 H 0.000000 27 C 4.869875 0.000000 28 C 5.986583 4.462852 0.000000 29 H 5.944154 1.078846 4.678128 0.000000 30 H 4.675109 1.083940 5.209309 1.764359 0.000000 31 H 4.688462 1.084272 4.831353 1.764570 1.772026 32 H 6.994371 5.132829 1.080035 5.164115 5.870563 33 H 5.965763 3.795655 1.082755 3.924130 4.683666 34 H 5.932304 5.182127 1.084636 5.515861 5.929151 31 32 33 34 31 H 0.000000 32 H 5.609225 0.000000 33 H 4.052254 1.765645 0.000000 34 H 5.388252 1.768165 1.771023 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.306608 2.115495 1.351810 2 1 0 3.046392 2.877898 2.067612 3 1 0 3.252588 2.504449 0.348430 4 1 0 4.291202 1.727588 1.560286 5 8 0 2.336289 1.076303 1.526358 6 15 0 2.247945 -0.260195 0.731461 7 16 0 1.253333 0.277152 -1.087367 8 8 0 1.559941 -1.355558 1.379350 9 8 0 3.710490 -0.503648 0.228853 10 6 0 4.175599 -1.768096 -0.268186 11 1 0 3.813909 -1.908562 -1.273529 12 1 0 5.251734 -1.711765 -0.254141 13 1 0 3.830688 -2.561696 0.376209 14 8 0 1.691439 1.605183 -1.442345 15 6 0 -0.456704 0.343037 -0.697858 16 8 0 1.491642 -0.829637 -1.979860 17 6 0 -1.055903 1.560825 -0.454128 18 6 0 -2.405022 1.608016 -0.134875 19 6 0 -3.143814 0.437321 -0.052500 20 6 0 -2.521487 -0.799684 -0.299853 21 6 0 -1.189765 -0.841039 -0.622323 22 1 0 -2.865388 2.559458 0.042648 23 8 0 -4.443602 0.383223 0.253448 24 8 0 -3.245559 -1.943554 -0.265410 25 1 0 -0.729532 -1.788549 -0.823688 26 1 0 -0.485477 2.466235 -0.525562 27 6 0 -5.168851 1.566247 0.460197 28 6 0 -3.437382 -2.509857 1.011951 29 1 0 -6.183869 1.260911 0.661235 30 1 0 -5.151603 2.195649 -0.422119 31 1 0 -4.785734 2.119943 1.310072 32 1 0 -4.004831 -3.416618 0.862749 33 1 0 -3.992587 -1.838906 1.655325 34 1 0 -2.484793 -2.749631 1.471861 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6170910 0.1843925 0.1696490 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.2505111280 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.55D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000219 -0.000004 0.000027 Ang= 0.03 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1649.62376411 A.U. after 7 cycles NFock= 7 Conv=0.54D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000010446 -0.000015613 0.000019335 2 1 0.000000333 -0.000000273 -0.000000258 3 1 -0.000000389 0.000004027 0.000000774 4 1 0.000003161 0.000003482 0.000001005 5 8 0.000001231 0.000020657 -0.000035412 6 15 0.000022164 0.000011821 0.000046457 7 16 -0.000027545 -0.000012738 -0.000033171 8 8 0.000001382 0.000004606 -0.000001365 9 8 0.000014271 -0.000002533 0.000006774 10 6 -0.000017885 0.000008964 -0.000009580 11 1 0.000000809 0.000002199 0.000000514 12 1 0.000000661 -0.000002745 -0.000000672 13 1 0.000003460 0.000000998 -0.000000077 14 8 0.000014290 0.000002613 -0.000009811 15 6 -0.000000525 -0.000025442 0.000030618 16 8 0.000001895 -0.000002544 -0.000015063 17 6 0.000000500 0.000008157 -0.000015012 18 6 -0.000006545 -0.000007307 0.000008091 19 6 -0.000033937 -0.000064073 0.000075208 20 6 -0.000011301 -0.000014246 -0.000011905 21 6 -0.000008976 0.000001107 0.000008486 22 1 0.000000947 -0.000000857 -0.000000192 23 8 0.000059723 0.000039266 -0.000068034 24 8 0.000008848 0.000042813 0.000003213 25 1 0.000001177 -0.000000460 -0.000000067 26 1 -0.000001351 -0.000001040 0.000000937 27 6 -0.000001753 -0.000000106 0.000000597 28 6 -0.000004113 -0.000000703 -0.000002281 29 1 -0.000000168 0.000000153 -0.000000005 30 1 -0.000000073 0.000000293 -0.000000833 31 1 0.000000412 0.000000929 -0.000000179 32 1 -0.000001188 -0.000005201 -0.000003381 33 1 -0.000003952 0.000004948 0.000002246 34 1 -0.000005117 -0.000001153 0.000003043 ------------------------------------------------------------------- Cartesian Forces: Max 0.000075208 RMS 0.000018257 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000096109 RMS 0.000013590 Search for a local minimum. Step number 30 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 18 19 20 21 22 23 24 25 26 27 28 29 30 DE= -7.87D-08 DEPred=-5.36D-08 R= 1.47D+00 Trust test= 1.47D+00 RLast= 4.24D-03 DXMaxT set to 3.00D+00 ITU= 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 0 1 0 1 0 Eigenvalues --- 0.00115 0.00254 0.00382 0.00599 0.00713 Eigenvalues --- 0.00898 0.01118 0.01905 0.02067 0.02136 Eigenvalues --- 0.02518 0.02683 0.02728 0.02751 0.02821 Eigenvalues --- 0.02856 0.03043 0.03366 0.04831 0.09902 Eigenvalues --- 0.10074 0.10143 0.10322 0.10459 0.10500 Eigenvalues --- 0.10570 0.10687 0.10902 0.11035 0.11524 Eigenvalues --- 0.11834 0.13570 0.15776 0.15845 0.15889 Eigenvalues --- 0.15947 0.16003 0.16009 0.16030 0.16041 Eigenvalues --- 0.16049 0.16151 0.16201 0.16353 0.16411 Eigenvalues --- 0.16767 0.17287 0.18272 0.19508 0.20014 Eigenvalues --- 0.21443 0.22582 0.23201 0.23969 0.24716 Eigenvalues --- 0.24824 0.25078 0.25819 0.25936 0.26585 Eigenvalues --- 0.28148 0.31484 0.33276 0.33470 0.33490 Eigenvalues --- 0.33597 0.33739 0.33954 0.34671 0.34803 Eigenvalues --- 0.34853 0.34892 0.34911 0.35029 0.35275 Eigenvalues --- 0.37234 0.38625 0.38800 0.39263 0.40015 Eigenvalues --- 0.41008 0.42626 0.45118 0.45408 0.47718 Eigenvalues --- 0.48452 0.48957 0.50374 0.52857 0.57118 Eigenvalues --- 0.60181 0.70318 0.73604 0.76564 0.87487 Eigenvalues --- 1.06145 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 30 29 28 27 26 25 24 23 22 21 RFO step: Lambda=-9.22067582D-08. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. DIIS inversion failure, remove point 3. RFO-DIIS uses 2 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.96618 -0.96618 0.00000 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00095978 RMS(Int)= 0.00000036 Iteration 2 RMS(Cart)= 0.00000049 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03648 -0.00000 0.00000 0.00000 0.00000 2.03648 R2 2.03615 0.00000 0.00000 -0.00000 0.00000 2.03615 R3 2.03824 -0.00000 0.00000 -0.00001 -0.00001 2.03824 R4 2.70693 0.00002 -0.00000 0.00004 0.00004 2.70697 R5 2.94330 0.00001 0.00000 0.00003 0.00003 2.94333 R6 4.04690 -0.00005 0.00008 -0.00012 -0.00003 4.04686 R7 2.73386 0.00000 -0.00000 -0.00000 -0.00000 2.73385 R8 2.95845 -0.00001 0.00001 -0.00001 0.00000 2.95845 R9 2.72646 -0.00001 -0.00000 -0.00001 -0.00002 2.72644 R10 3.31661 -0.00004 -0.00010 -0.00001 -0.00010 3.31651 R11 2.72430 -0.00001 -0.00001 0.00000 -0.00001 2.72429 R12 2.71372 -0.00002 -0.00001 -0.00003 -0.00004 2.71368 R13 2.03641 0.00000 0.00000 0.00000 0.00000 2.03641 R14 2.03656 0.00000 0.00000 0.00000 0.00001 2.03656 R15 2.03881 0.00000 -0.00001 0.00000 -0.00000 2.03881 R16 2.60580 0.00001 -0.00000 0.00001 0.00001 2.60581 R17 2.63556 -0.00000 0.00001 -0.00002 -0.00001 2.63555 R18 2.62139 -0.00001 0.00000 -0.00002 -0.00002 2.62137 R19 2.02673 0.00000 0.00000 0.00000 0.00000 2.02673 R20 2.62061 0.00000 -0.00001 -0.00000 -0.00001 2.62060 R21 2.02535 -0.00000 -0.00000 0.00000 -0.00000 2.02535 R22 2.65818 -0.00004 0.00000 -0.00004 -0.00004 2.65814 R23 2.52544 0.00010 0.00004 0.00007 0.00011 2.52555 R24 2.59050 0.00000 -0.00002 0.00001 -0.00000 2.59049 R25 2.55910 -0.00001 -0.00001 0.00001 -0.00000 2.55910 R26 2.02663 0.00000 0.00001 -0.00000 0.00001 2.02663 R27 2.65120 0.00000 0.00000 -0.00001 -0.00000 2.65119 R28 2.66521 0.00000 -0.00004 0.00001 -0.00002 2.66519 R29 2.03872 -0.00000 0.00000 0.00000 0.00000 2.03873 R30 2.04835 -0.00000 0.00000 -0.00000 0.00000 2.04835 R31 2.04898 -0.00000 -0.00000 0.00000 0.00000 2.04898 R32 2.04097 0.00000 -0.00000 0.00000 0.00000 2.04097 R33 2.04611 0.00000 0.00002 -0.00000 0.00001 2.04613 R34 2.04966 0.00000 0.00001 0.00000 0.00001 2.04967 A1 1.92949 -0.00000 0.00003 -0.00000 0.00003 1.92952 A2 1.92460 0.00000 -0.00001 0.00001 -0.00000 1.92460 A3 1.84288 -0.00000 -0.00000 -0.00001 -0.00001 1.84287 A4 1.93433 0.00000 -0.00000 0.00001 0.00001 1.93434 A5 1.91919 -0.00000 -0.00004 0.00000 -0.00004 1.91915 A6 1.91123 -0.00000 0.00003 -0.00001 0.00002 1.91124 A7 2.21273 -0.00005 -0.00001 -0.00012 -0.00013 2.21261 A8 1.81779 -0.00000 -0.00007 0.00006 -0.00001 1.81777 A9 2.03545 0.00000 0.00001 -0.00001 -0.00000 2.03545 A10 1.81759 -0.00000 0.00004 -0.00001 0.00003 1.81762 A11 1.92780 -0.00000 0.00012 -0.00006 0.00006 1.92786 A12 1.77240 0.00000 -0.00011 0.00002 -0.00009 1.77231 A13 2.06045 0.00000 -0.00001 0.00001 -0.00000 2.06044 A14 1.87433 0.00001 -0.00010 0.00007 -0.00004 1.87430 A15 1.84778 0.00001 0.00002 0.00002 0.00004 1.84782 A16 1.83008 -0.00001 0.00004 -0.00007 -0.00003 1.83005 A17 1.89221 -0.00001 0.00002 -0.00001 0.00001 1.89222 A18 2.09920 0.00001 0.00003 0.00002 0.00005 2.09926 A19 1.90422 -0.00001 -0.00001 -0.00003 -0.00003 1.90418 A20 2.15390 -0.00000 -0.00001 0.00001 0.00000 2.15390 A21 1.90601 -0.00000 -0.00006 -0.00001 -0.00007 1.90594 A22 1.84718 0.00000 0.00004 0.00001 0.00005 1.84723 A23 1.91496 0.00000 0.00005 -0.00000 0.00005 1.91501 A24 1.93277 0.00000 -0.00000 0.00000 0.00000 1.93277 A25 1.93268 -0.00000 -0.00001 -0.00001 -0.00002 1.93266 A26 1.92825 -0.00000 -0.00001 0.00000 -0.00001 1.92824 A27 2.08952 0.00000 0.00003 -0.00001 0.00002 2.08954 A28 2.08550 0.00000 -0.00001 -0.00000 -0.00002 2.08548 A29 2.10809 -0.00000 -0.00002 0.00001 -0.00001 2.10808 A30 2.08672 -0.00000 0.00001 0.00000 0.00002 2.08674 A31 2.09747 -0.00000 0.00001 -0.00000 0.00001 2.09748 A32 2.09888 0.00000 -0.00003 0.00000 -0.00002 2.09886 A33 2.09795 -0.00001 -0.00001 -0.00002 -0.00003 2.09793 A34 2.07839 0.00000 -0.00001 0.00002 0.00001 2.07840 A35 2.10684 0.00000 0.00002 -0.00000 0.00002 2.10686 A36 2.09006 0.00001 0.00000 0.00002 0.00003 2.09008 A37 2.17234 0.00002 0.00002 0.00001 0.00002 2.17237 A38 2.02078 -0.00003 -0.00002 -0.00003 -0.00005 2.02073 A39 2.09173 0.00001 -0.00000 -0.00000 -0.00000 2.09173 A40 2.09645 -0.00004 -0.00004 -0.00004 -0.00008 2.09637 A41 2.09431 0.00004 0.00004 0.00004 0.00009 2.09440 A42 2.09179 -0.00001 0.00001 -0.00001 -0.00000 2.09179 A43 2.11106 0.00000 -0.00003 0.00001 -0.00002 2.11104 A44 2.08028 0.00000 0.00002 0.00000 0.00002 2.08030 A45 2.09715 -0.00000 -0.00001 -0.00003 -0.00004 2.09710 A46 2.02074 -0.00006 -0.00003 -0.00008 -0.00011 2.02063 A47 1.84956 -0.00000 -0.00001 0.00001 0.00000 1.84956 A48 1.94062 0.00000 0.00002 -0.00000 0.00002 1.94064 A49 1.94278 0.00000 0.00000 -0.00001 -0.00001 1.94277 A50 1.90815 -0.00000 -0.00002 0.00000 -0.00002 1.90813 A51 1.90806 -0.00000 0.00001 -0.00000 0.00001 1.90807 A52 1.91333 -0.00000 -0.00000 -0.00000 -0.00000 1.91333 A53 1.85819 0.00001 -0.00001 0.00005 0.00004 1.85823 A54 1.93809 -0.00001 0.00001 -0.00003 -0.00002 1.93807 A55 1.93194 -0.00001 0.00004 -0.00003 0.00001 1.93195 A56 1.91021 0.00000 -0.00001 0.00001 0.00001 1.91022 A57 1.91178 0.00000 -0.00000 -0.00000 -0.00000 1.91178 A58 1.91280 0.00000 -0.00003 0.00000 -0.00003 1.91277 D1 3.13464 0.00000 0.00072 0.00014 0.00085 3.13549 D2 1.05279 0.00000 0.00071 0.00014 0.00085 1.05364 D3 -1.07660 0.00000 0.00072 0.00014 0.00085 -1.07575 D4 -1.41917 -0.00000 -0.00011 0.00016 0.00005 -1.41913 D5 2.73517 0.00000 -0.00022 0.00019 -0.00002 2.73514 D6 0.43175 -0.00000 -0.00024 0.00020 -0.00004 0.43171 D7 0.61726 -0.00000 -0.00013 -0.00009 -0.00022 0.61703 D8 -1.40159 -0.00000 -0.00011 -0.00012 -0.00023 -1.40182 D9 2.86917 0.00000 -0.00013 -0.00007 -0.00020 2.86897 D10 2.81575 -0.00001 -0.00009 -0.00010 -0.00019 2.81556 D11 0.79691 -0.00001 -0.00008 -0.00013 -0.00020 0.79670 D12 -1.21553 0.00000 -0.00009 -0.00007 -0.00017 -1.21569 D13 -1.26735 -0.00000 -0.00011 -0.00011 -0.00022 -1.26757 D14 2.99699 -0.00000 -0.00009 -0.00013 -0.00023 2.99677 D15 0.98456 0.00000 -0.00011 -0.00008 -0.00019 0.98437 D16 2.86782 0.00000 -0.00012 0.00005 -0.00007 2.86775 D17 -1.53061 0.00000 -0.00022 0.00012 -0.00011 -1.53072 D18 0.57898 -0.00000 -0.00016 0.00006 -0.00009 0.57889 D19 1.73642 0.00000 -0.00067 0.00002 -0.00065 1.73577 D20 -1.39125 0.00000 -0.00056 -0.00001 -0.00057 -1.39181 D21 -0.27021 -0.00001 -0.00057 -0.00006 -0.00063 -0.27084 D22 2.88531 -0.00001 -0.00046 -0.00009 -0.00055 2.88476 D23 -2.58558 -0.00001 -0.00062 -0.00007 -0.00068 -2.58627 D24 0.56993 -0.00001 -0.00051 -0.00009 -0.00060 0.56933 D25 1.34705 0.00000 0.00169 -0.00004 0.00165 1.34870 D26 -2.85486 0.00000 0.00168 -0.00003 0.00164 -2.85322 D27 -0.77425 0.00000 0.00172 -0.00003 0.00169 -0.77256 D28 -3.13162 0.00000 0.00011 -0.00000 0.00010 -3.13151 D29 0.02595 -0.00000 0.00015 -0.00003 0.00012 0.02607 D30 -0.00413 -0.00000 -0.00000 0.00002 0.00002 -0.00411 D31 -3.12974 -0.00000 0.00004 -0.00001 0.00003 -3.12971 D32 3.12532 -0.00000 -0.00012 0.00003 -0.00009 3.12523 D33 -0.02794 -0.00000 -0.00017 0.00004 -0.00013 -0.02807 D34 -0.00220 0.00000 -0.00002 0.00001 -0.00001 -0.00221 D35 3.12773 0.00000 -0.00006 0.00002 -0.00004 3.12768 D36 0.00766 -0.00000 0.00003 -0.00003 0.00000 0.00766 D37 -3.13011 -0.00000 0.00004 -0.00003 0.00002 -3.13009 D38 3.13326 0.00000 -0.00001 -0.00000 -0.00001 3.13325 D39 -0.00451 -0.00000 0.00000 -0.00000 0.00000 -0.00451 D40 -0.00492 0.00000 -0.00004 0.00001 -0.00003 -0.00495 D41 3.13625 -0.00000 0.00004 -0.00002 0.00002 3.13627 D42 3.13279 0.00000 -0.00005 0.00001 -0.00005 3.13274 D43 -0.00923 -0.00000 0.00003 -0.00002 0.00001 -0.00922 D44 -0.00143 0.00000 0.00002 0.00002 0.00004 -0.00138 D45 -3.10303 -0.00000 0.00008 -0.00009 -0.00001 -3.10304 D46 3.14055 0.00000 -0.00005 0.00004 -0.00001 3.14055 D47 0.03895 -0.00000 0.00000 -0.00006 -0.00006 0.03889 D48 0.04908 0.00000 -0.00110 0.00013 -0.00097 0.04811 D49 -3.09292 -0.00000 -0.00102 0.00010 -0.00092 -3.09384 D50 0.00495 -0.00000 0.00000 -0.00003 -0.00002 0.00492 D51 -3.12518 -0.00000 0.00005 -0.00004 0.00001 -3.12517 D52 3.10660 -0.00000 -0.00005 0.00008 0.00003 3.10663 D53 -0.02353 0.00000 -0.00000 0.00007 0.00006 -0.02347 D54 -1.46201 0.00000 -0.00041 0.00003 -0.00038 -1.46239 D55 1.71963 0.00000 -0.00035 -0.00008 -0.00043 1.71920 D56 3.11339 -0.00000 0.00068 -0.00006 0.00062 3.11401 D57 1.04171 0.00000 0.00070 -0.00007 0.00063 1.04234 D58 -1.09706 -0.00000 0.00069 -0.00006 0.00063 -1.09644 D59 -3.11742 0.00000 0.00028 0.00025 0.00053 -3.11688 D60 1.08781 -0.00000 0.00028 0.00023 0.00051 1.08832 D61 -1.04094 0.00001 0.00029 0.00026 0.00056 -1.04038 Item Value Threshold Converged? Maximum Force 0.000096 0.000450 YES RMS Force 0.000014 0.000300 YES Maximum Displacement 0.004470 0.001800 NO RMS Displacement 0.000960 0.001200 YES Predicted change in Energy=-4.610373D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.657602 -0.611356 -1.229193 2 1 0 -0.073084 -0.226145 -1.921332 3 1 0 0.744774 0.035753 -0.372090 4 1 0 0.395373 -1.613343 -0.928175 5 8 0 1.895003 -0.636980 -1.950408 6 15 0 3.279500 -1.103339 -1.410388 7 16 0 4.017167 0.591066 -0.328310 8 8 0 4.247484 -1.535002 -2.395069 9 8 0 2.924090 -2.088022 -0.246340 10 6 0 3.866971 -3.006077 0.328371 11 1 0 4.523678 -2.469687 0.993422 12 1 0 3.280289 -3.728442 0.871913 13 1 0 4.428907 -3.489263 -0.455698 14 8 0 2.884119 1.232099 0.293675 15 6 0 4.677326 1.680981 -1.535112 16 8 0 5.093456 0.073793 0.479361 17 6 0 3.930353 2.756909 -1.966246 18 6 0 4.450565 3.609381 -2.929011 19 6 0 5.709789 3.375560 -3.460791 20 6 0 6.461662 2.273078 -3.016017 21 6 0 5.946709 1.437503 -2.059035 22 1 0 3.867783 4.449324 -3.250806 23 8 0 6.289939 4.136339 -4.393946 24 8 0 7.709891 2.063257 -3.497474 25 1 0 6.535162 0.608889 -1.716595 26 1 0 2.959764 2.941265 -1.548839 27 6 0 5.646183 5.291889 -4.861446 28 6 0 7.785465 1.377621 -4.727638 29 1 0 6.319620 5.738232 -5.576409 30 1 0 5.463757 5.992376 -4.054622 31 1 0 4.710191 5.050228 -5.352532 32 1 0 8.835959 1.271371 -4.954908 33 1 0 7.301040 1.939507 -5.516302 34 1 0 7.330513 0.396232 -4.648013 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077657 0.000000 3 H 1.077486 1.771337 0.000000 4 H 1.078589 1.769218 1.775058 0.000000 5 O 1.432469 2.010720 2.065595 2.060858 0.000000 6 P 2.673805 3.502907 2.966552 2.968304 1.557545 7 S 3.680230 4.464942 3.319465 4.282132 2.939878 8 O 3.885826 4.539255 4.339204 4.122702 2.557017 9 O 2.878110 3.905796 3.045596 2.661697 2.463411 10 C 4.296597 5.321017 4.414916 3.945961 3.833290 11 H 4.831144 5.887231 4.735183 4.633439 4.351422 12 H 4.583597 5.595839 4.705905 4.004585 4.409269 13 H 4.806598 5.750125 5.099564 4.473444 4.097602 14 O 3.267236 3.972125 2.539938 3.972823 3.083458 15 C 4.637519 5.133487 4.418639 5.436550 3.645098 16 O 4.802644 5.704947 4.431416 5.186480 4.079102 17 C 4.753878 4.992808 4.482626 5.716011 3.957447 18 C 5.923730 6.015819 5.748178 6.908313 5.051747 19 C 6.811764 6.984542 6.733926 7.716626 5.738844 20 C 6.723081 7.081480 6.684219 7.500881 5.518907 21 C 5.732462 6.246967 5.645425 6.434582 4.553197 22 H 6.324766 6.257631 6.125341 7.362621 5.608332 23 O 8.017449 8.101429 7.983670 8.933999 6.933320 24 O 7.876131 8.264399 7.898839 8.580261 6.595273 25 H 6.022646 6.663941 5.971999 6.577000 4.810191 26 H 4.245379 4.401068 3.838349 5.263628 3.754838 27 C 8.539760 8.473664 8.473789 9.524907 7.595853 28 C 8.185450 8.497306 8.387058 8.831492 6.816830 29 H 9.553744 9.476289 9.522716 10.523709 8.565539 30 H 8.642422 8.595204 8.444597 9.659719 7.817422 31 H 8.091906 7.905249 8.103968 9.088222 7.200283 32 H 9.182110 9.529752 9.380632 9.786708 7.800365 33 H 8.307916 8.484784 8.548206 9.020083 6.969873 34 H 7.565137 7.914252 7.860370 8.122300 6.155434 6 7 8 9 10 6 P 0.000000 7 S 2.141507 0.000000 8 O 1.446693 2.974005 0.000000 9 O 1.565543 2.894659 2.583455 0.000000 10 C 2.643637 3.659677 3.118650 1.436016 0.000000 11 H 3.032026 3.372201 3.525874 2.059455 1.077622 12 H 3.478515 4.543311 4.052137 2.017014 1.077703 13 H 2.815173 4.103029 2.759204 2.066828 1.078891 14 O 2.917949 1.442770 4.092060 3.363989 4.350786 15 C 3.117998 1.755020 3.356611 4.352029 5.108597 16 O 2.871798 1.441632 3.400917 3.147417 3.318534 17 C 3.953998 2.716844 4.324923 5.238702 6.203329 18 C 5.087960 4.007705 5.176004 6.479757 7.396987 19 C 5.492813 4.520045 5.233328 6.924128 7.647158 20 C 4.909622 4.003560 4.448554 6.261367 6.766597 21 C 3.740404 2.726719 3.440359 4.985119 5.456228 22 H 5.879224 4.842463 6.057113 7.256326 8.270037 23 O 6.739331 5.853533 6.350688 8.202088 8.898605 24 O 5.831948 5.084010 5.113808 7.120877 7.423159 25 H 3.691181 2.875404 3.207813 4.740761 4.936508 26 H 4.059583 2.851530 4.734056 5.195335 6.302208 27 C 7.642638 6.730583 7.392280 9.119873 9.947665 28 C 6.120705 5.845753 5.142136 7.464964 7.754653 29 H 8.567681 7.703061 8.204548 10.059300 10.832584 30 H 7.881125 6.719537 7.803516 9.286860 10.135705 31 H 7.446728 6.753311 7.233667 8.956448 9.893823 32 H 7.005505 6.714833 5.956728 8.270812 8.420240 33 H 6.503093 6.286285 5.580189 7.946772 8.391177 34 H 5.398299 5.447573 4.279076 6.705431 6.952427 11 12 13 14 15 11 H 0.000000 12 H 1.773483 0.000000 13 H 1.774391 1.771745 0.000000 14 O 4.108652 5.009818 5.023862 0.000000 15 C 4.862626 6.083365 5.287558 2.600298 0.000000 16 O 2.656727 4.230681 3.743171 2.501464 2.610425 17 C 6.035642 7.108973 6.445539 2.920084 1.378937 18 C 7.235046 8.346269 7.517213 4.300108 2.390209 19 C 7.444043 8.668427 7.602436 5.164770 2.765107 20 C 6.505782 7.826581 6.625096 4.983625 2.393222 21 C 5.158357 6.510548 5.398836 3.867414 1.394672 22 H 8.143487 9.177026 8.434966 4.886867 3.355993 23 O 8.705343 9.931870 8.781973 6.481359 4.099053 24 O 7.132159 8.500394 7.130760 6.192876 3.632279 25 H 4.568138 6.008910 4.777135 4.214225 2.152642 26 H 6.179588 7.102659 6.686181 2.514324 2.130381 27 C 9.786805 10.946927 9.899545 7.119421 5.004182 28 C 7.627028 8.816091 7.294006 7.018401 4.465957 29 H 10.665741 11.850583 10.721154 8.158786 5.957390 30 H 9.898132 11.114521 10.194344 6.944239 5.055149 31 H 9.841495 10.856029 9.847893 7.056366 5.091719 32 H 8.244629 9.477100 7.894848 7.935589 5.399723 33 H 8.338539 9.439352 7.958040 7.332493 4.774995 34 H 6.922254 7.992924 6.410296 6.699953 4.287205 16 17 18 19 20 16 O 0.000000 17 C 3.812205 0.000000 18 C 4.952846 1.387172 0.000000 19 C 5.177483 2.404742 1.386761 0.000000 20 C 4.350461 2.782739 2.416151 1.406628 0.000000 21 C 3.005195 2.411459 2.777113 2.403563 1.370831 22 H 5.878919 2.125624 1.071770 2.142440 3.394021 23 O 6.456390 3.655708 2.409775 1.336464 2.323773 24 O 5.159352 4.136511 3.651966 2.392466 1.354216 25 H 2.680870 3.385460 3.849473 3.373118 2.112682 26 H 4.109578 1.072501 2.138631 3.377397 3.855175 27 C 7.487206 4.213357 2.827479 2.374489 3.630955 28 C 6.004975 4.938584 4.397428 3.147236 2.341782 29 H 8.382225 5.256440 3.877382 3.229544 4.310809 30 H 7.464834 4.144984 2.823513 2.694605 3.988445 31 H 7.676117 4.163459 2.831413 2.717056 4.029828 32 H 6.706102 5.933287 5.366771 4.053756 3.224903 33 H 6.655997 4.963121 4.196160 2.969756 2.658430 34 H 5.603423 4.932114 4.644716 3.593416 2.634551 21 22 23 24 25 21 C 0.000000 22 H 3.848807 0.000000 23 O 3.585154 2.696584 0.000000 24 O 2.359976 4.529454 2.667882 0.000000 25 H 1.072447 4.921143 4.435228 2.581997 0.000000 26 H 3.382815 2.448557 4.540143 5.208818 4.272187 27 C 4.774946 2.542987 1.402951 4.067354 5.710592 28 C 3.241304 5.192747 3.155705 1.410359 3.349715 29 H 5.568416 3.616797 1.991271 4.445252 6.422989 30 H 4.996247 2.360988 2.059755 4.559990 5.966256 31 H 5.042606 2.342645 2.061476 4.621843 6.022960 32 H 4.094074 6.138902 3.873621 2.004801 4.027310 33 H 3.746854 4.818600 2.666098 2.063526 4.098157 34 H 3.114798 5.510919 3.890468 2.060738 3.044835 26 27 28 29 30 26 H 0.000000 27 C 4.869871 0.000000 28 C 5.986413 4.462726 0.000000 29 H 5.944155 1.078848 4.678038 0.000000 30 H 4.675277 1.083941 5.209534 1.764349 0.000000 31 H 4.688262 1.084272 4.830719 1.764578 1.772026 32 H 6.994249 5.133027 1.080036 5.164405 5.871129 33 H 5.965816 3.795504 1.082763 3.923915 4.683787 34 H 5.931738 5.181696 1.084641 5.515504 5.929057 31 32 33 34 31 H 0.000000 32 H 5.608906 0.000000 33 H 4.051654 1.765658 0.000000 34 H 5.387217 1.768168 1.771015 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.307165 2.116173 1.350036 2 1 0 3.047784 2.878868 2.065830 3 1 0 3.252515 2.504844 0.346579 4 1 0 4.291768 1.727951 1.557869 5 8 0 2.336551 1.077398 1.525600 6 15 0 2.247867 -0.259712 0.731737 7 16 0 1.253316 0.276477 -1.087445 8 8 0 1.559714 -1.354436 1.380539 9 8 0 3.710298 -0.503859 0.229129 10 6 0 4.175098 -1.768793 -0.266900 11 1 0 3.814587 -1.909231 -1.272673 12 1 0 5.251261 -1.713317 -0.251484 13 1 0 3.828734 -2.561969 0.377235 14 8 0 1.691520 1.604244 -1.443252 15 6 0 -0.456687 0.342702 -0.698086 16 8 0 1.491576 -0.830946 -1.979156 17 6 0 -1.055701 1.560602 -0.454431 18 6 0 -2.404800 1.608041 -0.135170 19 6 0 -3.143754 0.437462 -0.052712 20 6 0 -2.521655 -0.799646 -0.300017 21 6 0 -1.189941 -0.841245 -0.622484 22 1 0 -2.865018 2.559567 0.042278 23 8 0 -4.443609 0.383536 0.253238 24 8 0 -3.246009 -1.943332 -0.265444 25 1 0 -0.729853 -1.788832 -0.823831 26 1 0 -0.485146 2.465926 -0.525941 27 6 0 -5.168399 1.566658 0.461023 28 6 0 -3.437412 -2.509622 1.011972 29 1 0 -6.183399 1.261510 0.662453 30 1 0 -5.151474 2.196538 -0.420960 31 1 0 -4.784645 2.119784 1.310982 32 1 0 -4.004682 -3.416530 0.862975 33 1 0 -3.992618 -1.838744 1.655435 34 1 0 -2.484664 -2.749134 1.471702 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6170908 0.1843989 0.1696513 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.2660123160 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.55D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000199 -0.000008 0.000031 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) = -1649.62376417 A.U. after 7 cycles NFock= 7 Conv=0.60D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000009090 -0.000012529 0.000009319 2 1 0.000000898 0.000000911 0.000000635 3 1 -0.000001453 0.000002891 -0.000000056 4 1 0.000002259 0.000003571 0.000000782 5 8 0.000001216 0.000008561 -0.000019152 6 15 0.000014907 0.000018393 0.000044676 7 16 -0.000030019 -0.000023320 -0.000032617 8 8 0.000003666 0.000005729 -0.000002670 9 8 0.000004917 -0.000002828 -0.000006863 10 6 -0.000008548 0.000004726 0.000004102 11 1 0.000001200 0.000000663 -0.000001758 12 1 -0.000000185 -0.000001798 -0.000002274 13 1 0.000002666 -0.000000733 -0.000001164 14 8 0.000010812 0.000006488 0.000000609 15 6 0.000007564 -0.000009434 0.000011437 16 8 0.000004229 -0.000002247 -0.000003810 17 6 -0.000005669 0.000006398 -0.000008832 18 6 -0.000006483 -0.000004472 0.000004013 19 6 -0.000006869 -0.000027550 0.000035233 20 6 -0.000009052 -0.000000768 -0.000009679 21 6 0.000000214 -0.000003881 0.000009157 22 1 0.000000567 -0.000000805 -0.000000287 23 8 0.000023852 0.000010853 -0.000036453 24 8 0.000004951 0.000024602 0.000015540 25 1 -0.000000015 -0.000000070 -0.000002234 26 1 -0.000000963 -0.000002417 0.000001421 27 6 0.000001942 0.000002565 0.000002726 28 6 -0.000004509 -0.000006224 -0.000016158 29 1 -0.000000422 -0.000000410 0.000000651 30 1 -0.000000335 -0.000000201 -0.000000353 31 1 0.000000464 0.000001411 -0.000000780 32 1 -0.000001024 -0.000002700 -0.000002492 33 1 -0.000001141 0.000003404 0.000003934 34 1 -0.000000545 0.000001222 0.000003395 ------------------------------------------------------------------- Cartesian Forces: Max 0.000044676 RMS 0.000011051 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000043049 RMS 0.000007827 Search for a local minimum. Step number 31 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 18 19 20 21 22 23 24 25 26 27 28 29 30 31 DE= -6.00D-08 DEPred=-4.61D-08 R= 1.30D+00 Trust test= 1.30D+00 RLast= 4.18D-03 DXMaxT set to 3.00D+00 ITU= 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 1 0 1 0 1 0 Eigenvalues --- 0.00112 0.00239 0.00391 0.00590 0.00725 Eigenvalues --- 0.00869 0.01136 0.01903 0.02012 0.02151 Eigenvalues --- 0.02518 0.02683 0.02728 0.02759 0.02810 Eigenvalues --- 0.02858 0.03047 0.03370 0.04828 0.09904 Eigenvalues --- 0.09966 0.10187 0.10306 0.10458 0.10501 Eigenvalues --- 0.10572 0.10682 0.10893 0.11067 0.11554 Eigenvalues --- 0.11750 0.13570 0.15777 0.15812 0.15881 Eigenvalues --- 0.15956 0.16003 0.16011 0.16034 0.16042 Eigenvalues --- 0.16048 0.16152 0.16202 0.16347 0.16443 Eigenvalues --- 0.16830 0.17268 0.17974 0.19312 0.20257 Eigenvalues --- 0.21850 0.21959 0.23271 0.24020 0.24711 Eigenvalues --- 0.25059 0.25106 0.25517 0.26034 0.26939 Eigenvalues --- 0.28097 0.31418 0.33226 0.33470 0.33492 Eigenvalues --- 0.33587 0.33777 0.33969 0.34340 0.34808 Eigenvalues --- 0.34855 0.34886 0.34919 0.34966 0.35388 Eigenvalues --- 0.37205 0.38544 0.38693 0.39259 0.40004 Eigenvalues --- 0.41663 0.42772 0.44662 0.45393 0.47754 Eigenvalues --- 0.48256 0.48655 0.49686 0.53214 0.54898 Eigenvalues --- 0.60013 0.65472 0.71000 0.73790 0.87466 Eigenvalues --- 1.02485 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 31 30 29 28 27 26 25 24 23 22 RFO step: Lambda=-3.44980931D-08. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. DIIS inversion failure, remove point 3. RFO-DIIS uses 2 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.30719 -0.30719 0.00000 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00042216 RMS(Int)= 0.00000006 Iteration 2 RMS(Cart)= 0.00000008 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03648 -0.00000 0.00000 -0.00000 -0.00000 2.03648 R2 2.03615 0.00000 0.00000 0.00000 0.00000 2.03616 R3 2.03824 -0.00000 -0.00000 -0.00001 -0.00001 2.03823 R4 2.70697 0.00001 0.00001 0.00003 0.00004 2.70702 R5 2.94333 0.00001 0.00001 0.00003 0.00004 2.94337 R6 4.04686 -0.00004 -0.00001 -0.00010 -0.00011 4.04675 R7 2.73385 0.00000 -0.00000 0.00000 0.00000 2.73385 R8 2.95845 -0.00001 0.00000 -0.00001 -0.00001 2.95844 R9 2.72644 -0.00001 -0.00000 -0.00001 -0.00001 2.72643 R10 3.31651 -0.00001 -0.00003 -0.00001 -0.00004 3.31647 R11 2.72429 0.00000 -0.00000 0.00000 0.00000 2.72429 R12 2.71368 -0.00001 -0.00001 -0.00001 -0.00003 2.71365 R13 2.03641 -0.00000 0.00000 -0.00000 0.00000 2.03641 R14 2.03656 0.00000 0.00000 0.00000 0.00000 2.03657 R15 2.03881 0.00000 -0.00000 0.00000 0.00000 2.03881 R16 2.60581 0.00001 0.00000 0.00001 0.00001 2.60583 R17 2.63555 0.00000 -0.00000 -0.00001 -0.00001 2.63554 R18 2.62137 -0.00000 -0.00000 -0.00001 -0.00002 2.62136 R19 2.02673 0.00000 0.00000 0.00000 0.00000 2.02674 R20 2.62060 0.00000 -0.00000 0.00000 -0.00000 2.62060 R21 2.02535 -0.00000 -0.00000 -0.00000 -0.00000 2.02535 R22 2.65814 -0.00002 -0.00001 -0.00003 -0.00004 2.65811 R23 2.52555 0.00004 0.00003 0.00005 0.00008 2.52563 R24 2.59049 0.00000 -0.00000 0.00001 0.00001 2.59050 R25 2.55910 -0.00001 -0.00000 -0.00000 -0.00000 2.55909 R26 2.02663 -0.00000 0.00000 -0.00000 0.00000 2.02663 R27 2.65119 0.00000 -0.00000 0.00000 0.00000 2.65120 R28 2.66519 0.00001 -0.00001 0.00002 0.00001 2.66521 R29 2.03873 -0.00000 0.00000 -0.00000 0.00000 2.03873 R30 2.04835 -0.00000 0.00000 0.00000 0.00000 2.04835 R31 2.04898 -0.00000 0.00000 0.00000 0.00000 2.04898 R32 2.04097 -0.00000 0.00000 -0.00000 0.00000 2.04097 R33 2.04613 -0.00000 0.00000 -0.00000 0.00000 2.04613 R34 2.04967 -0.00000 0.00000 -0.00000 0.00000 2.04968 A1 1.92952 -0.00000 0.00001 -0.00000 0.00000 1.92952 A2 1.92460 0.00000 -0.00000 0.00001 0.00001 1.92461 A3 1.84287 -0.00000 -0.00000 -0.00001 -0.00001 1.84286 A4 1.93434 0.00000 0.00000 0.00001 0.00001 1.93434 A5 1.91915 0.00000 -0.00001 -0.00001 -0.00002 1.91913 A6 1.91124 0.00000 0.00001 0.00001 0.00001 1.91126 A7 2.21261 -0.00002 -0.00004 -0.00008 -0.00011 2.21249 A8 1.81777 0.00001 -0.00000 0.00005 0.00004 1.81781 A9 2.03545 0.00000 -0.00000 -0.00001 -0.00001 2.03544 A10 1.81762 -0.00001 0.00001 -0.00001 0.00000 1.81762 A11 1.92786 -0.00001 0.00002 -0.00006 -0.00004 1.92782 A12 1.77231 0.00001 -0.00003 0.00004 0.00001 1.77232 A13 2.06044 0.00000 -0.00000 0.00001 0.00001 2.06045 A14 1.87430 0.00001 -0.00001 0.00007 0.00005 1.87435 A15 1.84782 0.00000 0.00001 0.00001 0.00002 1.84783 A16 1.83005 -0.00000 -0.00001 -0.00005 -0.00006 1.82999 A17 1.89222 -0.00001 0.00000 -0.00001 -0.00000 1.89222 A18 2.09926 0.00000 0.00002 0.00001 0.00003 2.09928 A19 1.90418 -0.00000 -0.00001 -0.00002 -0.00004 1.90415 A20 2.15390 0.00000 0.00000 0.00001 0.00001 2.15392 A21 1.90594 -0.00000 -0.00002 0.00001 -0.00001 1.90593 A22 1.84723 0.00000 0.00002 0.00000 0.00002 1.84725 A23 1.91501 0.00000 0.00001 -0.00000 0.00001 1.91502 A24 1.93277 0.00000 0.00000 0.00001 0.00001 1.93278 A25 1.93266 -0.00000 -0.00001 -0.00001 -0.00001 1.93265 A26 1.92824 -0.00000 -0.00000 -0.00001 -0.00001 1.92823 A27 2.08954 -0.00000 0.00001 -0.00001 -0.00001 2.08953 A28 2.08548 0.00000 -0.00000 0.00000 -0.00000 2.08548 A29 2.10808 0.00000 -0.00000 0.00001 0.00001 2.10808 A30 2.08674 -0.00000 0.00000 -0.00000 0.00000 2.08674 A31 2.09748 -0.00000 0.00000 -0.00001 -0.00000 2.09747 A32 2.09886 0.00000 -0.00001 0.00001 0.00000 2.09886 A33 2.09793 -0.00000 -0.00001 -0.00001 -0.00002 2.09791 A34 2.07840 0.00000 0.00000 0.00001 0.00001 2.07841 A35 2.10686 0.00000 0.00000 0.00000 0.00001 2.10686 A36 2.09008 0.00000 0.00001 0.00001 0.00002 2.09011 A37 2.17237 0.00002 0.00001 0.00001 0.00002 2.17239 A38 2.02073 -0.00002 -0.00002 -0.00003 -0.00004 2.02069 A39 2.09173 0.00001 -0.00000 0.00000 0.00000 2.09173 A40 2.09637 -0.00002 -0.00003 -0.00003 -0.00005 2.09632 A41 2.09440 0.00002 0.00003 0.00002 0.00005 2.09445 A42 2.09179 -0.00001 -0.00000 -0.00001 -0.00002 2.09178 A43 2.11104 0.00000 -0.00001 0.00001 0.00000 2.11104 A44 2.08030 0.00000 0.00001 0.00000 0.00001 2.08031 A45 2.09710 0.00000 -0.00001 -0.00001 -0.00002 2.09708 A46 2.02063 -0.00004 -0.00003 -0.00007 -0.00011 2.02052 A47 1.84956 -0.00000 0.00000 -0.00001 -0.00000 1.84956 A48 1.94064 0.00000 0.00001 0.00000 0.00001 1.94065 A49 1.94277 0.00000 -0.00000 0.00001 0.00001 1.94278 A50 1.90813 -0.00000 -0.00001 -0.00000 -0.00001 1.90812 A51 1.90807 -0.00000 0.00000 -0.00001 -0.00001 1.90806 A52 1.91333 -0.00000 -0.00000 -0.00000 -0.00000 1.91333 A53 1.85823 0.00001 0.00001 0.00002 0.00003 1.85825 A54 1.93807 -0.00001 -0.00001 -0.00002 -0.00002 1.93804 A55 1.93195 -0.00001 0.00000 -0.00001 -0.00001 1.93194 A56 1.91022 0.00000 0.00000 0.00001 0.00001 1.91023 A57 1.91178 0.00000 -0.00000 -0.00000 -0.00000 1.91178 A58 1.91277 0.00000 -0.00001 0.00001 -0.00000 1.91277 D1 3.13549 0.00000 0.00026 0.00023 0.00049 3.13598 D2 1.05364 0.00000 0.00026 0.00024 0.00050 1.05415 D3 -1.07575 0.00000 0.00026 0.00024 0.00050 -1.07525 D4 -1.41913 -0.00001 0.00001 0.00010 0.00011 -1.41901 D5 2.73514 0.00000 -0.00001 0.00015 0.00014 2.73529 D6 0.43171 0.00000 -0.00001 0.00015 0.00014 0.43185 D7 0.61703 -0.00000 -0.00007 -0.00013 -0.00020 0.61684 D8 -1.40182 -0.00000 -0.00007 -0.00016 -0.00023 -1.40205 D9 2.86897 0.00000 -0.00006 -0.00011 -0.00017 2.86880 D10 2.81556 -0.00000 -0.00006 -0.00015 -0.00021 2.81535 D11 0.79670 -0.00000 -0.00006 -0.00018 -0.00024 0.79646 D12 -1.21569 0.00000 -0.00005 -0.00013 -0.00018 -1.21587 D13 -1.26757 -0.00000 -0.00007 -0.00015 -0.00022 -1.26778 D14 2.99677 -0.00000 -0.00007 -0.00017 -0.00024 2.99652 D15 0.98437 0.00000 -0.00006 -0.00013 -0.00019 0.98418 D16 2.86775 -0.00000 -0.00002 -0.00003 -0.00005 2.86769 D17 -1.53072 0.00001 -0.00003 0.00003 -0.00000 -1.53072 D18 0.57889 -0.00000 -0.00003 -0.00002 -0.00004 0.57884 D19 1.73577 0.00000 -0.00020 -0.00005 -0.00025 1.73552 D20 -1.39181 0.00000 -0.00017 -0.00006 -0.00023 -1.39205 D21 -0.27084 -0.00001 -0.00019 -0.00013 -0.00032 -0.27116 D22 2.88476 -0.00001 -0.00017 -0.00014 -0.00030 2.88445 D23 -2.58627 -0.00000 -0.00021 -0.00012 -0.00032 -2.58659 D24 0.56933 -0.00000 -0.00018 -0.00013 -0.00031 0.56902 D25 1.34870 -0.00000 0.00051 -0.00017 0.00034 1.34904 D26 -2.85322 0.00000 0.00051 -0.00015 0.00035 -2.85286 D27 -0.77256 0.00000 0.00052 -0.00016 0.00036 -0.77221 D28 -3.13151 -0.00000 0.00003 -0.00003 -0.00000 -3.13152 D29 0.02607 -0.00000 0.00004 -0.00002 0.00001 0.02609 D30 -0.00411 -0.00000 0.00001 -0.00002 -0.00002 -0.00413 D31 -3.12971 -0.00000 0.00001 -0.00001 -0.00000 -3.12971 D32 3.12523 0.00000 -0.00003 0.00002 -0.00000 3.12522 D33 -0.02807 0.00000 -0.00004 0.00003 -0.00001 -0.02808 D34 -0.00221 0.00000 -0.00000 0.00001 0.00001 -0.00219 D35 3.12768 0.00000 -0.00001 0.00002 0.00001 3.12769 D36 0.00766 0.00000 0.00000 0.00001 0.00001 0.00767 D37 -3.13009 -0.00000 0.00000 0.00000 0.00001 -3.13009 D38 3.13325 0.00000 -0.00000 -0.00001 -0.00001 3.13324 D39 -0.00451 -0.00000 0.00000 -0.00001 -0.00001 -0.00452 D40 -0.00495 0.00000 -0.00001 0.00002 0.00001 -0.00495 D41 3.13627 -0.00000 0.00001 -0.00001 0.00000 3.13627 D42 3.13274 0.00000 -0.00001 0.00002 0.00001 3.13275 D43 -0.00922 -0.00000 0.00000 -0.00000 -0.00000 -0.00922 D44 -0.00138 -0.00000 0.00001 -0.00003 -0.00001 -0.00140 D45 -3.10304 -0.00000 -0.00000 0.00001 0.00000 -3.10304 D46 3.14055 0.00000 -0.00000 -0.00000 -0.00001 3.14054 D47 0.03889 0.00000 -0.00002 0.00003 0.00001 0.03890 D48 0.04811 0.00001 -0.00030 0.00015 -0.00015 0.04796 D49 -3.09384 0.00000 -0.00028 0.00013 -0.00016 -3.09399 D50 0.00492 -0.00000 -0.00001 0.00001 0.00000 0.00493 D51 -3.12517 -0.00000 0.00000 0.00001 0.00001 -3.12516 D52 3.10663 -0.00000 0.00001 -0.00002 -0.00002 3.10661 D53 -0.02347 -0.00000 0.00002 -0.00003 -0.00001 -0.02348 D54 -1.46239 0.00000 -0.00012 0.00007 -0.00005 -1.46244 D55 1.71920 0.00000 -0.00013 0.00010 -0.00003 1.71917 D56 3.11401 -0.00000 0.00019 -0.00011 0.00008 3.11409 D57 1.04234 -0.00000 0.00019 -0.00010 0.00009 1.04243 D58 -1.09644 -0.00000 0.00019 -0.00011 0.00008 -1.09636 D59 -3.11688 0.00000 0.00016 0.00005 0.00021 -3.11667 D60 1.08832 -0.00000 0.00016 0.00004 0.00020 1.08851 D61 -1.04038 0.00000 0.00017 0.00005 0.00022 -1.04016 Item Value Threshold Converged? Maximum Force 0.000043 0.000450 YES RMS Force 0.000008 0.000300 YES Maximum Displacement 0.002114 0.001800 NO RMS Displacement 0.000422 0.001200 YES Predicted change in Energy=-1.724907D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.657395 -0.611310 -1.228586 2 1 0 -0.073633 -0.226600 -1.920641 3 1 0 0.744683 0.036189 -0.371787 4 1 0 0.395566 -1.613244 -0.927057 5 8 0 1.894579 -0.636857 -1.950221 6 15 0 3.279223 -1.103193 -1.410501 7 16 0 4.017052 0.591061 -0.328411 8 8 0 4.247047 -1.534668 -2.395421 9 8 0 2.924093 -2.088037 -0.246509 10 6 0 3.867100 -3.006140 0.327884 11 1 0 4.523711 -2.469871 0.993128 12 1 0 3.280539 -3.728803 0.871161 13 1 0 4.429139 -3.488957 -0.456340 14 8 0 2.884136 1.232204 0.293684 15 6 0 4.677282 1.680965 -1.535156 16 8 0 5.093352 0.073599 0.479123 17 6 0 3.930271 2.756817 -1.966437 18 6 0 4.450533 3.609294 -2.929158 19 6 0 5.709848 3.375537 -3.460751 20 6 0 6.461743 2.273145 -3.015856 21 6 0 5.946743 1.437558 -2.058903 22 1 0 3.867732 4.449179 -3.251066 23 8 0 6.290118 4.136324 -4.393887 24 8 0 7.710046 2.063474 -3.497182 25 1 0 6.535218 0.609005 -1.716353 26 1 0 2.959615 2.941111 -1.549156 27 6 0 5.646266 5.291712 -4.861656 28 6 0 7.785681 1.377776 -4.727316 29 1 0 6.319755 5.738047 -5.576578 30 1 0 5.463616 5.992302 -4.054970 31 1 0 4.710386 5.049857 -5.352858 32 1 0 8.836181 1.271396 -4.954498 33 1 0 7.301374 1.939689 -5.516034 34 1 0 7.330611 0.396439 -4.647691 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077657 0.000000 3 H 1.077487 1.771341 0.000000 4 H 1.078584 1.769220 1.775059 0.000000 5 O 1.432492 2.010732 2.065601 2.060882 0.000000 6 P 2.673766 3.502899 2.966650 2.968055 1.557565 7 S 3.680123 4.465139 3.319362 4.281646 2.939888 8 O 3.885833 4.539244 4.339268 4.122641 2.557025 9 O 2.878040 3.905641 3.045958 2.661207 2.463424 10 C 4.296511 5.320816 4.415291 3.945451 3.833288 11 H 4.831010 5.887095 4.735439 4.632764 4.351503 12 H 4.583512 5.595539 4.706448 4.004029 4.409219 13 H 4.806585 5.749965 5.099904 4.473207 4.097578 14 O 3.267143 3.972372 2.539796 3.972375 3.083460 15 C 4.637672 5.134062 4.418603 5.436422 3.645273 16 O 4.802404 5.704973 4.431295 5.185747 4.079045 17 C 4.753991 4.993408 4.482488 5.715932 3.957441 18 C 5.923963 6.016582 5.748091 6.908405 5.051833 19 C 6.812106 6.985412 6.733929 7.716808 5.739102 20 C 6.723457 7.082327 6.684299 7.501040 5.519301 21 C 5.732756 6.247677 5.645496 6.434597 4.553575 22 H 6.324970 6.258378 6.125207 7.362739 5.608324 23 O 8.017900 8.102430 7.983748 8.934325 6.933652 24 O 7.876603 8.265323 7.899004 8.580525 6.595797 25 H 6.022946 6.664599 5.972124 6.576982 4.810655 26 H 4.245313 4.401475 3.838059 5.263412 3.754599 27 C 8.540124 8.474585 8.473781 9.525195 7.596022 28 C 8.185966 8.498250 8.387261 8.831872 6.817338 29 H 9.554145 9.477251 9.522734 10.524045 8.565749 30 H 8.642679 8.596000 8.444492 9.659880 7.817528 31 H 8.092291 7.906196 8.103995 9.088580 7.200377 32 H 9.182567 9.530638 9.380795 9.787002 7.800830 33 H 8.308566 8.485894 8.548497 9.020656 6.970442 34 H 7.565557 7.915037 7.860508 8.122610 6.155851 6 7 8 9 10 6 P 0.000000 7 S 2.141449 0.000000 8 O 1.446693 2.973912 0.000000 9 O 1.565538 2.894621 2.583456 0.000000 10 C 2.643631 3.659653 3.118650 1.436002 0.000000 11 H 3.032159 3.372310 3.526105 2.059435 1.077623 12 H 3.478478 4.543418 4.052027 2.017016 1.077704 13 H 2.815066 4.102770 2.759064 2.066825 1.078892 14 O 2.917948 1.442763 4.091992 3.364136 4.350971 15 C 3.117955 1.755000 3.356405 4.351972 5.108450 16 O 2.871686 1.441632 3.400847 3.147204 3.318336 17 C 3.953810 2.716829 4.324491 5.238622 6.203191 18 C 5.087811 4.007683 5.175580 6.479676 7.396802 19 C 5.492767 4.520002 5.233052 6.924047 7.646913 20 C 4.909710 4.003533 4.448512 6.261322 6.766359 21 C 3.740522 2.726696 3.440398 4.985078 5.456017 22 H 5.879018 4.842446 6.056603 7.256239 8.269864 23 O 6.739333 5.853529 6.350445 8.202044 8.898366 24 O 5.832170 5.084025 5.113987 7.120903 7.422961 25 H 3.691432 2.875389 3.208145 4.740748 4.936297 26 H 4.059283 2.851513 4.733524 5.195237 6.302111 27 C 7.642525 6.730585 7.391861 9.119787 9.947417 28 C 6.120836 5.845669 5.142178 7.464886 7.754292 29 H 8.567590 7.703062 8.204161 10.059212 10.832312 30 H 7.881043 6.719612 7.803167 9.286841 10.135592 31 H 7.446505 6.753269 7.233055 8.956292 9.893485 32 H 7.005595 6.714725 5.956762 8.270654 8.419777 33 H 6.503248 6.286255 5.580170 7.946764 8.390879 34 H 5.398337 5.447360 4.279049 6.705253 6.951964 11 12 13 14 15 11 H 0.000000 12 H 1.773488 0.000000 13 H 1.774384 1.771741 0.000000 14 O 4.108867 5.010210 5.023836 0.000000 15 C 4.862638 6.083325 5.287108 2.600272 0.000000 16 O 2.656677 4.230632 3.742736 2.501478 2.610375 17 C 6.035683 7.108965 6.445072 2.920102 1.378944 18 C 7.235049 8.346196 7.516678 4.300101 2.390211 19 C 7.443975 8.668256 7.601840 5.164718 2.765083 20 C 6.505699 7.826387 6.624531 4.983562 2.393209 21 C 5.158287 6.510393 5.398322 3.867351 1.394665 22 H 8.143510 9.176979 8.434433 4.886885 3.355999 23 O 8.705282 9.931692 8.781368 6.481354 4.099069 24 O 7.132099 8.500202 7.130256 6.192825 3.632288 25 H 4.568033 6.008722 4.776661 4.214146 2.152639 26 H 6.179672 7.102724 6.685770 2.514383 2.130386 27 C 9.786767 10.946760 9.898907 7.119446 5.004202 28 C 7.626816 8.815691 7.293332 7.018318 4.465866 29 H 10.665680 11.850376 10.720488 8.158804 5.957409 30 H 9.898237 11.114516 10.193848 6.944281 5.055236 31 H 9.841377 10.855770 9.847148 7.056423 5.091697 32 H 8.244315 9.476574 7.894073 7.935477 5.399638 33 H 8.338395 9.439025 7.957414 7.332487 4.774955 34 H 6.921941 7.992399 6.409545 6.699764 4.286961 16 17 18 19 20 16 O 0.000000 17 C 3.812241 0.000000 18 C 4.952851 1.387163 0.000000 19 C 5.177400 2.404720 1.386761 0.000000 20 C 4.350330 2.782727 2.416149 1.406609 0.000000 21 C 3.005036 2.411463 2.777125 2.403551 1.370835 22 H 5.878959 2.125622 1.071769 2.142443 3.394015 23 O 6.456331 3.655739 2.409826 1.336507 2.323760 24 O 5.159233 4.136496 3.651935 2.392411 1.354214 25 H 2.680625 3.385467 3.849485 3.373109 2.112692 26 H 4.109669 1.072502 2.138623 3.377381 3.855164 27 C 7.487212 4.213387 2.827518 2.374512 3.630941 28 C 6.004708 4.938461 4.397301 3.147113 2.341707 29 H 8.382216 5.256470 3.877423 3.229576 4.310801 30 H 7.464994 4.145054 2.823564 2.694658 3.988501 31 H 7.676055 4.163467 2.831443 2.717046 4.029760 32 H 6.705797 5.933206 5.366719 4.053721 3.224870 33 H 6.655792 4.963031 4.196046 2.969648 2.658395 34 H 5.603014 4.931817 4.644420 3.593150 2.634357 21 22 23 24 25 21 C 0.000000 22 H 3.848818 0.000000 23 O 3.585162 2.696640 0.000000 24 O 2.360011 4.529408 2.667767 0.000000 25 H 1.072447 4.921154 4.435227 2.582064 0.000000 26 H 3.382817 2.448559 4.540184 5.208804 4.272190 27 C 4.774957 2.543039 1.402952 4.067247 5.710597 28 C 3.241249 5.192606 3.155546 1.410367 3.349712 29 H 5.568427 3.616849 1.991269 4.445142 6.422993 30 H 4.996337 2.361003 2.059763 4.559962 5.966351 31 H 5.042561 2.342736 2.061485 4.621686 6.022902 32 H 4.094011 6.138849 3.873569 2.004829 4.027254 33 H 3.746854 4.818456 2.665907 2.063517 4.098207 34 H 3.114617 5.510607 3.890216 2.060739 3.044762 26 27 28 29 30 26 H 0.000000 27 C 4.869915 0.000000 28 C 5.986287 4.462515 0.000000 29 H 5.944200 1.078848 4.677836 0.000000 30 H 4.675349 1.083942 5.209403 1.764344 0.000000 31 H 4.688300 1.084272 4.830416 1.764575 1.772025 32 H 6.994164 5.132944 1.080036 5.164335 5.871141 33 H 5.965722 3.795214 1.082763 3.923616 4.683559 34 H 5.931432 5.181361 1.084643 5.515201 5.928800 31 32 33 34 31 H 0.000000 32 H 5.608711 0.000000 33 H 4.051295 1.765665 0.000000 34 H 5.386756 1.768168 1.771016 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.307721 2.116307 1.349201 2 1 0 3.048971 2.879064 2.065158 3 1 0 3.252574 2.504997 0.345778 4 1 0 4.292334 1.727806 1.556443 5 8 0 2.336892 1.077796 1.525325 6 15 0 2.247862 -0.259519 0.731808 7 16 0 1.253312 0.276303 -1.087414 8 8 0 1.559494 -1.353908 1.380949 9 8 0 3.710205 -0.504129 0.229185 10 6 0 4.174723 -1.769296 -0.266475 11 1 0 3.814404 -1.909812 -1.272306 12 1 0 5.250903 -1.714176 -0.250807 13 1 0 3.827948 -2.562245 0.377719 14 8 0 1.691494 1.603977 -1.443567 15 6 0 -0.456673 0.342612 -0.698077 16 8 0 1.491535 -0.831368 -1.978826 17 6 0 -1.055613 1.560546 -0.454370 18 6 0 -2.404704 1.608064 -0.135127 19 6 0 -3.143717 0.437519 -0.052731 20 6 0 -2.521708 -0.799607 -0.300063 21 6 0 -1.189991 -0.841291 -0.622523 22 1 0 -2.864870 2.559609 0.042355 23 8 0 -4.443620 0.383613 0.253205 24 8 0 -3.246200 -1.943204 -0.265533 25 1 0 -0.729960 -1.788898 -0.823905 26 1 0 -0.484997 2.465836 -0.525846 27 6 0 -5.168314 1.566756 0.461206 28 6 0 -3.437566 -2.509425 1.011928 29 1 0 -6.183322 1.261647 0.662653 30 1 0 -5.151412 2.196766 -0.420685 31 1 0 -4.784480 2.119740 1.311221 32 1 0 -4.004760 -3.416395 0.863021 33 1 0 -3.992818 -1.838524 1.655327 34 1 0 -2.484794 -2.748816 1.471676 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6171155 0.1843998 0.1696497 Standard basis: 6-31G(d) (6D, 7F) There are 323 symmetry adapted cartesian basis functions of A symmetry. There are 323 symmetry adapted basis functions of A symmetry. 323 basis functions, 640 primitive gaussians, 323 cartesian basis functions 81 alpha electrons 81 beta electrons nuclear repulsion energy 1946.2769029932 Hartrees. NAtoms= 34 NActive= 34 NUniq= 34 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 1 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. NBasis= 323 RedAO= T EigKep= 3.55D-04 NBF= 323 NBsUse= 323 1.00D-06 EigRej= -1.00D+00 NBFU= 323 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000068 -0.000007 0.000021 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) = -1649.62376420 A.U. after 6 cycles NFock= 6 Conv=0.84D-08 -V/T= 2.0013 Calling FoFJK, ICntrl= 2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0. ***** Axes restored to original set ***** ------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 6 -0.000004062 -0.000006954 -0.000000325 2 1 0.000000749 0.000000614 0.000000614 3 1 -0.000001485 0.000001310 -0.000000652 4 1 0.000001041 0.000002065 0.000000777 5 8 0.000002492 0.000002215 -0.000000642 6 15 0.000001770 0.000010294 0.000021192 7 16 -0.000015329 -0.000012728 -0.000022781 8 8 0.000002596 0.000002853 -0.000002179 9 8 -0.000000847 0.000000432 -0.000008757 10 6 0.000000128 -0.000001021 0.000008067 11 1 0.000000067 0.000000179 -0.000001787 12 1 -0.000000736 -0.000000779 -0.000002503 13 1 0.000001448 -0.000000650 -0.000001048 14 8 0.000004585 0.000005498 0.000005882 15 6 0.000004393 -0.000002744 0.000003236 16 8 0.000003420 -0.000001750 0.000003078 17 6 -0.000006378 0.000002020 -0.000002044 18 6 -0.000002915 -0.000001146 -0.000002123 19 6 0.000005084 -0.000002294 0.000005729 20 6 -0.000003929 0.000006495 0.000000917 21 6 0.000006017 -0.000003946 0.000004746 22 1 0.000000158 0.000000111 -0.000000628 23 8 -0.000001471 -0.000003218 -0.000011533 24 8 0.000000887 0.000006329 0.000011034 25 1 -0.000000765 0.000000300 -0.000001976 26 1 -0.000000376 -0.000001994 0.000001109 27 6 0.000004120 0.000003208 0.000003119 28 6 -0.000001524 -0.000006805 -0.000015898 29 1 -0.000000420 -0.000000124 0.000000488 30 1 -0.000000390 -0.000000879 0.000000159 31 1 0.000000314 0.000000103 -0.000000132 32 1 -0.000000456 -0.000000736 -0.000001226 33 1 0.000000482 0.000001597 0.000003404 34 1 0.000001330 0.000002145 0.000002683 ------------------------------------------------------------------- Cartesian Forces: Max 0.000022781 RMS 0.000005273 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000015882 RMS 0.000003341 Search for a local minimum. Step number 32 out of a maximum of 163 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 DE= -2.28D-08 DEPred=-1.72D-08 R= 1.32D+00 Trust test= 1.32D+00 RLast= 1.54D-03 DXMaxT set to 3.00D+00 ITU= 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 1 1 0 1 0 1 0 Eigenvalues --- 0.00114 0.00232 0.00386 0.00601 0.00748 Eigenvalues --- 0.00836 0.01135 0.01871 0.01910 0.02176 Eigenvalues --- 0.02518 0.02673 0.02695 0.02761 0.02791 Eigenvalues --- 0.02855 0.03047 0.03366 0.04512 0.09838 Eigenvalues --- 0.09911 0.10189 0.10288 0.10455 0.10494 Eigenvalues --- 0.10571 0.10672 0.10876 0.11083 0.11287 Eigenvalues --- 0.11850 0.13564 0.15739 0.15807 0.15886 Eigenvalues --- 0.15970 0.16005 0.16020 0.16026 0.16042 Eigenvalues --- 0.16050 0.16156 0.16224 0.16283 0.16408 Eigenvalues --- 0.16792 0.17383 0.17863 0.18911 0.20313 Eigenvalues --- 0.21231 0.22134 0.23384 0.24028 0.24713 Eigenvalues --- 0.25020 0.25234 0.25474 0.26208 0.27049 Eigenvalues --- 0.29524 0.31301 0.32400 0.33469 0.33490 Eigenvalues --- 0.33554 0.33686 0.33836 0.34151 0.34807 Eigenvalues --- 0.34854 0.34880 0.34931 0.34946 0.35354 Eigenvalues --- 0.37084 0.38526 0.38753 0.39271 0.39972 Eigenvalues --- 0.40715 0.42222 0.44887 0.45325 0.47692 Eigenvalues --- 0.48146 0.48745 0.50112 0.53241 0.55854 Eigenvalues --- 0.60801 0.64385 0.70912 0.74009 0.87440 Eigenvalues --- 1.02573 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 32 31 30 29 28 27 26 25 24 23 RFO step: Lambda=-6.69601970D-09. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. DIIS inversion failure, remove point 4. DIIS inversion failure, remove point 3. RFO-DIIS uses 2 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.41257 -0.41257 0.00000 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00019344 RMS(Int)= 0.00000001 Iteration 2 RMS(Cart)= 0.00000002 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.03648 -0.00000 -0.00000 -0.00000 -0.00000 2.03648 R2 2.03616 0.00000 0.00000 0.00000 0.00000 2.03616 R3 2.03823 -0.00000 -0.00000 -0.00000 -0.00001 2.03822 R4 2.70702 0.00000 0.00002 0.00000 0.00002 2.70704 R5 2.94337 0.00000 0.00002 -0.00000 0.00001 2.94338 R6 4.04675 -0.00002 -0.00005 -0.00003 -0.00008 4.04667 R7 2.73385 0.00000 0.00000 0.00000 0.00000 2.73386 R8 2.95844 -0.00000 -0.00000 -0.00001 -0.00001 2.95843 R9 2.72643 0.00000 -0.00001 0.00000 -0.00000 2.72642 R10 3.31647 -0.00000 -0.00002 0.00001 -0.00000 3.31647 R11 2.72429 0.00000 0.00000 0.00001 0.00001 2.72430 R12 2.71365 0.00000 -0.00001 0.00001 -0.00001 2.71364 R13 2.03641 -0.00000 0.00000 -0.00000 -0.00000 2.03641 R14 2.03657 -0.00000 0.00000 -0.00000 -0.00000 2.03656 R15 2.03881 0.00000 0.00000 0.00000 0.00000 2.03881 R16 2.60583 0.00000 0.00001 0.00001 0.00001 2.60584 R17 2.63554 0.00000 -0.00001 0.00000 -0.00000 2.63553 R18 2.62136 0.00000 -0.00001 0.00000 -0.00000 2.62135 R19 2.02674 0.00000 0.00000 -0.00000 0.00000 2.02674 R20 2.62060 0.00000 -0.00000 0.00000 0.00000 2.62060 R21 2.02535 0.00000 -0.00000 0.00000 0.00000 2.02535 R22 2.65811 -0.00000 -0.00002 -0.00000 -0.00002 2.65809 R23 2.52563 0.00001 0.00003 -0.00000 0.00003 2.52566 R24 2.59050 0.00000 0.00000 0.00000 0.00001 2.59051 R25 2.55909 0.00000 -0.00000 0.00000 0.00000 2.55910 R26 2.02663 -0.00000 0.00000 -0.00000 -0.00000 2.02663 R27 2.65120 -0.00000 0.00000 -0.00000 -0.00000 2.65119 R28 2.66521 0.00001 0.00001 0.00002 0.00002 2.66523 R29 2.03873 -0.00000 0.00000 -0.00000 -0.00000 2.03873 R30 2.04835 -0.00000 0.00000 -0.00000 -0.00000 2.04835 R31 2.04898 -0.00000 0.00000 -0.00000 0.00000 2.04898 R32 2.04097 -0.00000 0.00000 -0.00000 -0.00000 2.04097 R33 2.04613 -0.00000 0.00000 -0.00001 -0.00001 2.04612 R34 2.04968 -0.00000 0.00000 -0.00000 -0.00000 2.04968 A1 1.92952 -0.00000 0.00000 -0.00001 -0.00001 1.92951 A2 1.92461 0.00000 0.00000 0.00001 0.00001 1.92462 A3 1.84286 -0.00000 -0.00000 -0.00000 -0.00001 1.84285 A4 1.93434 -0.00000 0.00000 0.00000 0.00000 1.93435 A5 1.91913 0.00000 -0.00001 0.00000 -0.00001 1.91912 A6 1.91126 0.00000 0.00000 0.00000 0.00001 1.91126 A7 2.21249 0.00000 -0.00005 0.00000 -0.00004 2.21245 A8 1.81781 0.00001 0.00002 0.00001 0.00003 1.81785 A9 2.03544 -0.00000 -0.00000 -0.00000 -0.00001 2.03543 A10 1.81762 -0.00000 0.00000 -0.00001 -0.00001 1.81761 A11 1.92782 -0.00001 -0.00002 -0.00004 -0.00006 1.92776 A12 1.77232 0.00001 0.00001 0.00004 0.00005 1.77237 A13 2.06045 0.00000 0.00000 0.00000 0.00001 2.06046 A14 1.87435 0.00001 0.00002 0.00004 0.00006 1.87441 A15 1.84783 -0.00000 0.00001 -0.00000 0.00000 1.84784 A16 1.82999 -0.00000 -0.00002 -0.00001 -0.00004 1.82995 A17 1.89222 -0.00000 -0.00000 -0.00000 -0.00000 1.89221 A18 2.09928 -0.00000 0.00001 -0.00001 -0.00000 2.09928 A19 1.90415 -0.00000 -0.00001 -0.00000 -0.00002 1.90413 A20 2.15392 0.00001 0.00001 0.00002 0.00002 2.15394 A21 1.90593 -0.00000 -0.00000 0.00000 -0.00000 1.90592 A22 1.84725 -0.00000 0.00001 -0.00001 -0.00000 1.84725 A23 1.91502 0.00000 0.00000 -0.00000 0.00000 1.91502 A24 1.93278 0.00000 0.00000 0.00001 0.00002 1.93280 A25 1.93265 -0.00000 -0.00001 -0.00000 -0.00001 1.93264 A26 1.92823 -0.00000 -0.00000 -0.00000 -0.00001 1.92823 A27 2.08953 -0.00000 -0.00000 -0.00002 -0.00002 2.08952 A28 2.08548 0.00000 -0.00000 0.00001 0.00001 2.08549 A29 2.10808 0.00000 0.00000 0.00000 0.00001 2.10809 A30 2.08674 -0.00000 0.00000 -0.00000 0.00000 2.08674 A31 2.09747 -0.00000 -0.00000 -0.00001 -0.00001 2.09746 A32 2.09886 0.00000 0.00000 0.00001 0.00001 2.09887 A33 2.09791 -0.00000 -0.00001 -0.00000 -0.00001 2.09790 A34 2.07841 0.00000 0.00000 0.00000 0.00001 2.07842 A35 2.10686 -0.00000 0.00000 -0.00000 0.00000 2.10686 A36 2.09011 0.00000 0.00001 -0.00000 0.00001 2.09012 A37 2.17239 0.00000 0.00001 -0.00000 0.00001 2.17240 A38 2.02069 -0.00000 -0.00002 0.00000 -0.00002 2.02067 A39 2.09173 0.00000 0.00000 0.00001 0.00001 2.09174 A40 2.09632 -0.00001 -0.00002 -0.00000 -0.00002 2.09629 A41 2.09445 0.00000 0.00002 -0.00000 0.00002 2.09446 A42 2.09178 -0.00000 -0.00001 -0.00001 -0.00001 2.09176 A43 2.11104 0.00000 0.00000 0.00001 0.00001 2.11105 A44 2.08031 0.00000 0.00000 0.00000 0.00001 2.08031 A45 2.09708 0.00000 -0.00001 -0.00000 -0.00001 2.09707 A46 2.02052 -0.00001 -0.00004 -0.00002 -0.00006 2.02046 A47 1.84956 0.00000 -0.00000 0.00001 0.00000 1.84956 A48 1.94065 -0.00000 0.00000 -0.00000 -0.00000 1.94065 A49 1.94278 0.00000 0.00000 -0.00000 0.00000 1.94279 A50 1.90812 0.00000 -0.00000 0.00000 0.00000 1.90812 A51 1.90806 -0.00000 -0.00000 0.00000 -0.00000 1.90806 A52 1.91333 -0.00000 -0.00000 -0.00000 -0.00000 1.91333 A53 1.85825 0.00000 0.00001 0.00000 0.00001 1.85827 A54 1.93804 -0.00000 -0.00001 -0.00001 -0.00002 1.93802 A55 1.93194 -0.00000 -0.00000 -0.00002 -0.00002 1.93192 A56 1.91023 0.00000 0.00000 0.00000 0.00001 1.91023 A57 1.91178 0.00000 -0.00000 0.00000 0.00000 1.91178 A58 1.91277 0.00000 -0.00000 0.00002 0.00002 1.91279 D1 3.13598 0.00000 0.00020 0.00005 0.00025 3.13623 D2 1.05415 0.00000 0.00021 0.00006 0.00027 1.05441 D3 -1.07525 0.00000 0.00021 0.00006 0.00026 -1.07498 D4 -1.41901 -0.00001 0.00005 -0.00005 -0.00000 -1.41901 D5 2.73529 -0.00000 0.00006 -0.00001 0.00005 2.73534 D6 0.43185 0.00000 0.00006 -0.00000 0.00006 0.43191 D7 0.61684 0.00000 -0.00008 -0.00003 -0.00011 0.61673 D8 -1.40205 -0.00000 -0.00009 -0.00004 -0.00014 -1.40218 D9 2.86880 0.00000 -0.00007 -0.00003 -0.00010 2.86870 D10 2.81535 -0.00000 -0.00009 -0.00005 -0.00013 2.81521 D11 0.79646 -0.00000 -0.00010 -0.00006 -0.00016 0.79631 D12 -1.21587 -0.00000 -0.00007 -0.00005 -0.00012 -1.21600 D13 -1.26778 0.00000 -0.00009 -0.00004 -0.00013 -1.26791 D14 2.99652 -0.00000 -0.00010 -0.00005 -0.00015 2.99637 D15 0.98418 0.00000 -0.00008 -0.00004 -0.00012 0.98407 D16 2.86769 -0.00000 -0.00002 0.00004 0.00002 2.86771 D17 -1.53072 0.00001 -0.00000 0.00007 0.00007 -1.53066 D18 0.57884 0.00000 -0.00002 0.00005 0.00003 0.57887 D19 1.73552 0.00000 -0.00010 0.00000 -0.00010 1.73542 D20 -1.39205 0.00000 -0.00010 0.00000 -0.00009 -1.39214 D21 -0.27116 -0.00001 -0.00013 -0.00004 -0.00017 -0.27133 D22 2.88445 -0.00001 -0.00013 -0.00004 -0.00016 2.88429 D23 -2.58659 -0.00000 -0.00013 -0.00002 -0.00015 -2.58674 D24 0.56902 -0.00000 -0.00013 -0.00002 -0.00014 0.56888 D25 1.34904 -0.00000 0.00014 -0.00004 0.00010 1.34914 D26 -2.85286 0.00000 0.00015 -0.00003 0.00012 -2.85275 D27 -0.77221 0.00000 0.00015 -0.00004 0.00011 -0.77210 D28 -3.13152 0.00000 -0.00000 -0.00000 -0.00000 -3.13152 D29 0.02609 -0.00000 0.00001 -0.00001 -0.00001 0.02608 D30 -0.00413 -0.00000 -0.00001 -0.00000 -0.00001 -0.00414 D31 -3.12971 -0.00000 -0.00000 -0.00001 -0.00001 -3.12973 D32 3.12522 -0.00000 -0.00000 0.00001 0.00001 3.12524 D33 -0.02808 0.00000 -0.00000 0.00003 0.00003 -0.02805 D34 -0.00219 0.00000 0.00001 0.00001 0.00002 -0.00218 D35 3.12769 0.00000 0.00000 0.00003 0.00003 3.12772 D36 0.00767 -0.00000 0.00000 -0.00001 -0.00001 0.00766 D37 -3.13009 -0.00000 0.00000 -0.00001 -0.00001 -3.13010 D38 3.13324 0.00000 -0.00000 -0.00000 -0.00000 3.13324 D39 -0.00452 -0.00000 -0.00000 -0.00000 -0.00000 -0.00452 D40 -0.00495 0.00000 0.00000 0.00001 0.00001 -0.00493 D41 3.13627 -0.00000 0.00000 -0.00001 -0.00001 3.13626 D42 3.13275 0.00000 0.00000 0.00001 0.00002 3.13276 D43 -0.00922 -0.00000 -0.00000 -0.00001 -0.00001 -0.00923 D44 -0.00140 0.00000 -0.00001 0.00000 -0.00001 -0.00140 D45 -3.10304 -0.00000 0.00000 -0.00004 -0.00004 -3.10308 D46 3.14054 0.00000 -0.00000 0.00002 0.00002 3.14056 D47 0.03890 -0.00000 0.00000 -0.00003 -0.00002 0.03888 D48 0.04796 0.00001 -0.00006 0.00017 0.00011 0.04807 D49 -3.09399 0.00001 -0.00006 0.00015 0.00009 -3.09390 D50 0.00493 -0.00000 0.00000 -0.00001 -0.00001 0.00492 D51 -3.12516 -0.00000 0.00000 -0.00003 -0.00003 -3.12519 D52 3.10661 0.00000 -0.00001 0.00003 0.00002 3.10664 D53 -0.02348 0.00000 -0.00000 0.00001 0.00001 -0.02347 D54 -1.46244 0.00000 -0.00002 0.00013 0.00011 -1.46233 D55 1.71917 0.00000 -0.00001 0.00009 0.00008 1.71924 D56 3.11409 -0.00000 0.00003 -0.00010 -0.00007 3.11402 D57 1.04243 -0.00000 0.00004 -0.00011 -0.00007 1.04236 D58 -1.09636 -0.00000 0.00003 -0.00010 -0.00007 -1.09642 D59 -3.11667 -0.00000 0.00009 -0.00011 -0.00002 -3.11670 D60 1.08851 -0.00000 0.00008 -0.00011 -0.00003 1.08848 D61 -1.04016 0.00000 0.00009 -0.00011 -0.00002 -1.04018 Item Value Threshold Converged? Maximum Force 0.000016 0.000450 YES RMS Force 0.000003 0.000300 YES Maximum Displacement 0.000955 0.001800 YES RMS Displacement 0.000193 0.001200 YES Predicted change in Energy=-6.194283D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.0777 -DE/DX = 0.0 ! ! R2 R(1,3) 1.0775 -DE/DX = 0.0 ! ! R3 R(1,4) 1.0786 -DE/DX = 0.0 ! ! R4 R(1,5) 1.4325 -DE/DX = 0.0 ! ! R5 R(5,6) 1.5576 -DE/DX = 0.0 ! ! R6 R(6,7) 2.1414 -DE/DX = 0.0 ! ! R7 R(6,8) 1.4467 -DE/DX = 0.0 ! ! R8 R(6,9) 1.5655 -DE/DX = 0.0 ! ! R9 R(7,14) 1.4428 -DE/DX = 0.0 ! ! R10 R(7,15) 1.755 -DE/DX = 0.0 ! ! R11 R(7,16) 1.4416 -DE/DX = 0.0 ! ! R12 R(9,10) 1.436 -DE/DX = 0.0 ! ! R13 R(10,11) 1.0776 -DE/DX = 0.0 ! ! R14 R(10,12) 1.0777 -DE/DX = 0.0 ! ! R15 R(10,13) 1.0789 -DE/DX = 0.0 ! ! R16 R(15,17) 1.3789 -DE/DX = 0.0 ! ! R17 R(15,21) 1.3947 -DE/DX = 0.0 ! ! R18 R(17,18) 1.3872 -DE/DX = 0.0 ! ! R19 R(17,26) 1.0725 -DE/DX = 0.0 ! ! R20 R(18,19) 1.3868 -DE/DX = 0.0 ! ! R21 R(18,22) 1.0718 -DE/DX = 0.0 ! ! R22 R(19,20) 1.4066 -DE/DX = 0.0 ! ! R23 R(19,23) 1.3365 -DE/DX = 0.0 ! ! R24 R(20,21) 1.3708 -DE/DX = 0.0 ! ! R25 R(20,24) 1.3542 -DE/DX = 0.0 ! ! R26 R(21,25) 1.0724 -DE/DX = 0.0 ! ! R27 R(23,27) 1.403 -DE/DX = 0.0 ! ! R28 R(24,28) 1.4104 -DE/DX = 0.0 ! ! R29 R(27,29) 1.0788 -DE/DX = 0.0 ! ! R30 R(27,30) 1.0839 -DE/DX = 0.0 ! ! R31 R(27,31) 1.0843 -DE/DX = 0.0 ! ! R32 R(28,32) 1.08 -DE/DX = 0.0 ! ! R33 R(28,33) 1.0828 -DE/DX = 0.0 ! ! R34 R(28,34) 1.0846 -DE/DX = 0.0 ! ! A1 A(2,1,3) 110.5534 -DE/DX = 0.0 ! ! A2 A(2,1,4) 110.2719 -DE/DX = 0.0 ! ! A3 A(2,1,5) 105.5881 -DE/DX = 0.0 ! ! A4 A(3,1,4) 110.8298 -DE/DX = 0.0 ! ! A5 A(3,1,5) 109.9582 -DE/DX = 0.0 ! ! A6 A(4,1,5) 109.5069 -DE/DX = 0.0 ! ! A7 A(1,5,6) 126.7664 -DE/DX = 0.0 ! ! A8 A(5,6,7) 104.1531 -DE/DX = 0.0 ! ! A9 A(5,6,8) 116.6222 -DE/DX = 0.0 ! ! A10 A(5,6,9) 104.1419 -DE/DX = 0.0 ! ! A11 A(7,6,8) 110.4558 -DE/DX = 0.0 ! ! A12 A(7,6,9) 101.5466 -DE/DX = 0.0 ! ! A13 A(8,6,9) 118.0551 -DE/DX = 0.0 ! ! A14 A(6,7,14) 107.3924 -DE/DX = 0.0 ! ! A15 A(6,7,15) 105.8731 -DE/DX = 0.0 ! ! A16 A(6,7,16) 104.8505 -DE/DX = 0.0 ! ! A17 A(14,7,15) 108.416 -DE/DX = 0.0 ! ! A18 A(14,7,16) 120.2802 -DE/DX = 0.0 ! ! A19 A(15,7,16) 109.0996 -DE/DX = 0.0 ! ! A20 A(6,9,10) 123.4105 -DE/DX = 0.0 ! ! A21 A(9,10,11) 109.2016 -DE/DX = 0.0 ! ! A22 A(9,10,12) 105.8395 -DE/DX = 0.0 ! ! A23 A(9,10,13) 109.7224 -DE/DX = 0.0 ! ! A24 A(11,10,12) 110.7401 -DE/DX = 0.0 ! ! A25 A(11,10,13) 110.7324 -DE/DX = 0.0 ! ! A26 A(12,10,13) 110.4796 -DE/DX = 0.0 ! ! A27 A(7,15,17) 119.7215 -DE/DX = 0.0 ! ! A28 A(7,15,21) 119.4893 -DE/DX = 0.0 ! ! A29 A(17,15,21) 120.7842 -DE/DX = 0.0 ! ! A30 A(15,17,18) 119.5614 -DE/DX = 0.0 ! ! A31 A(15,17,26) 120.1763 -DE/DX = 0.0 ! ! A32 A(18,17,26) 120.2559 -DE/DX = 0.0 ! ! A33 A(17,18,19) 120.2012 -DE/DX = 0.0 ! ! A34 A(17,18,22) 119.084 -DE/DX = 0.0 ! ! A35 A(19,18,22) 120.7144 -DE/DX = 0.0 ! ! A36 A(18,19,20) 119.7543 -DE/DX = 0.0 ! ! A37 A(18,19,23) 124.4687 -DE/DX = 0.0 ! ! A38 A(20,19,23) 115.777 -DE/DX = 0.0 ! ! A39 A(19,20,21) 119.8474 -DE/DX = 0.0 ! ! A40 A(19,20,24) 120.1101 -DE/DX = 0.0 ! ! A41 A(21,20,24) 120.0029 -DE/DX = 0.0 ! ! A42 A(15,21,20) 119.8499 -DE/DX = 0.0 ! ! A43 A(15,21,25) 120.9538 -DE/DX = 0.0 ! ! A44 A(20,21,25) 119.193 -DE/DX = 0.0 ! ! A45 A(19,23,27) 120.154 -DE/DX = 0.0 ! ! A46 A(20,24,28) 115.7673 -DE/DX = 0.0 ! ! A47 A(23,27,29) 105.9719 -DE/DX = 0.0 ! ! A48 A(23,27,30) 111.1911 -DE/DX = 0.0 ! ! A49 A(23,27,31) 111.3133 -DE/DX = 0.0 ! ! A50 A(29,27,30) 109.3273 -DE/DX = 0.0 ! ! A51 A(29,27,31) 109.3238 -DE/DX = 0.0 ! ! A52 A(30,27,31) 109.6257 -DE/DX = 0.0 ! ! A53 A(24,28,32) 106.4701 -DE/DX = 0.0 ! ! A54 A(24,28,33) 111.0416 -DE/DX = 0.0 ! ! A55 A(24,28,34) 110.6922 -DE/DX = 0.0 ! ! A56 A(32,28,33) 109.4479 -DE/DX = 0.0 ! ! A57 A(32,28,34) 109.5366 -DE/DX = 0.0 ! ! A58 A(33,28,34) 109.5936 -DE/DX = 0.0 ! ! D1 D(2,1,5,6) 179.6787 -DE/DX = 0.0 ! ! D2 D(3,1,5,6) 60.3981 -DE/DX = 0.0 ! ! D3 D(4,1,5,6) -61.6071 -DE/DX = 0.0 ! ! D4 D(1,5,6,7) -81.3034 -DE/DX = 0.0 ! ! D5 D(1,5,6,8) 156.7203 -DE/DX = 0.0 ! ! D6 D(1,5,6,9) 24.7432 -DE/DX = 0.0 ! ! D7 D(5,6,7,14) 35.3422 -DE/DX = 0.0 ! ! D8 D(5,6,7,15) -80.3313 -DE/DX = 0.0 ! ! D9 D(5,6,7,16) 164.3702 -DE/DX = 0.0 ! ! D10 D(8,6,7,14) 161.3075 -DE/DX = 0.0 ! ! D11 D(8,6,7,15) 45.634 -DE/DX = 0.0 ! ! D12 D(8,6,7,16) -69.6645 -DE/DX = 0.0 ! ! D13 D(9,6,7,14) -72.6385 -DE/DX = 0.0 ! ! D14 D(9,6,7,15) 171.688 -DE/DX = 0.0 ! ! D15 D(9,6,7,16) 56.3895 -DE/DX = 0.0 ! ! D16 D(5,6,9,10) 164.3066 -DE/DX = 0.0 ! ! D17 D(7,6,9,10) -87.704 -DE/DX = 0.0 ! ! D18 D(8,6,9,10) 33.1652 -DE/DX = 0.0 ! ! D19 D(6,7,15,17) 99.4382 -DE/DX = 0.0 ! ! D20 D(6,7,15,21) -79.7584 -DE/DX = 0.0 ! ! D21 D(14,7,15,17) -15.5363 -DE/DX = 0.0 ! ! D22 D(14,7,15,21) 165.267 -DE/DX = 0.0 ! ! D23 D(16,7,15,17) -148.2007 -DE/DX = 0.0 ! ! D24 D(16,7,15,21) 32.6027 -DE/DX = 0.0 ! ! D25 D(6,9,10,11) 77.2942 -DE/DX = 0.0 ! ! D26 D(6,9,10,12) -163.4571 -DE/DX = 0.0 ! ! D27 D(6,9,10,13) -44.2442 -DE/DX = 0.0 ! ! D28 D(7,15,17,18) -179.4227 -DE/DX = 0.0 ! ! D29 D(7,15,17,26) 1.4946 -DE/DX = 0.0 ! ! D30 D(21,15,17,18) -0.2366 -DE/DX = 0.0 ! ! D31 D(21,15,17,26) -179.3194 -DE/DX = 0.0 ! ! D32 D(7,15,21,20) 179.0622 -DE/DX = 0.0 ! ! D33 D(7,15,21,25) -1.6087 -DE/DX = 0.0 ! ! D34 D(17,15,21,20) -0.1257 -DE/DX = 0.0 ! ! D35 D(17,15,21,25) 179.2034 -DE/DX = 0.0 ! ! D36 D(15,17,18,19) 0.4394 -DE/DX = 0.0 ! ! D37 D(15,17,18,22) -179.3408 -DE/DX = 0.0 ! ! D38 D(26,17,18,19) 179.5214 -DE/DX = 0.0 ! ! D39 D(26,17,18,22) -0.2587 -DE/DX = 0.0 ! ! D40 D(17,18,19,20) -0.2833 -DE/DX = 0.0 ! ! D41 D(17,18,19,23) 179.6952 -DE/DX = 0.0 ! ! D42 D(22,18,19,20) 179.4932 -DE/DX = 0.0 ! ! D43 D(22,18,19,23) -0.5283 -DE/DX = 0.0 ! ! D44 D(18,19,20,21) -0.08 -DE/DX = 0.0 ! ! D45 D(18,19,20,24) -177.7909 -DE/DX = 0.0 ! ! D46 D(23,19,20,21) 179.9397 -DE/DX = 0.0 ! ! D47 D(23,19,20,24) 2.2288 -DE/DX = 0.0 ! ! D48 D(18,19,23,27) 2.7481 -DE/DX = 0.0 ! ! D49 D(20,19,23,27) -177.2726 -DE/DX = 0.0 ! ! D50 D(19,20,21,15) 0.2824 -DE/DX = 0.0 ! ! D51 D(19,20,21,25) -179.0586 -DE/DX = 0.0 ! ! D52 D(24,20,21,15) 177.9957 -DE/DX = 0.0 ! ! D53 D(24,20,21,25) -1.3452 -DE/DX = 0.0 ! ! D54 D(19,20,24,28) -83.7916 -DE/DX = 0.0 ! ! D55 D(21,20,24,28) 98.5011 -DE/DX = 0.0 ! ! D56 D(19,23,27,29) 178.4243 -DE/DX = 0.0 ! ! D57 D(19,23,27,30) 59.7269 -DE/DX = 0.0 ! ! D58 D(19,23,27,31) -62.8166 -DE/DX = 0.0 ! ! D59 D(20,24,28,32) -178.5722 -DE/DX = 0.0 ! ! D60 D(20,24,28,33) 62.3673 -DE/DX = 0.0 ! ! D61 D(20,24,28,34) -59.5968 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.657395 -0.611310 -1.228586 2 1 0 -0.073633 -0.226600 -1.920641 3 1 0 0.744683 0.036189 -0.371787 4 1 0 0.395566 -1.613244 -0.927057 5 8 0 1.894579 -0.636857 -1.950221 6 15 0 3.279223 -1.103193 -1.410501 7 16 0 4.017052 0.591061 -0.328411 8 8 0 4.247047 -1.534668 -2.395421 9 8 0 2.924093 -2.088037 -0.246509 10 6 0 3.867100 -3.006140 0.327884 11 1 0 4.523711 -2.469871 0.993128 12 1 0 3.280539 -3.728803 0.871161 13 1 0 4.429139 -3.488957 -0.456340 14 8 0 2.884136 1.232204 0.293684 15 6 0 4.677282 1.680965 -1.535156 16 8 0 5.093352 0.073599 0.479123 17 6 0 3.930271 2.756817 -1.966437 18 6 0 4.450533 3.609294 -2.929158 19 6 0 5.709848 3.375537 -3.460751 20 6 0 6.461743 2.273145 -3.015856 21 6 0 5.946743 1.437558 -2.058903 22 1 0 3.867732 4.449179 -3.251066 23 8 0 6.290118 4.136324 -4.393887 24 8 0 7.710046 2.063474 -3.497182 25 1 0 6.535218 0.609005 -1.716353 26 1 0 2.959615 2.941111 -1.549156 27 6 0 5.646266 5.291712 -4.861656 28 6 0 7.785681 1.377776 -4.727316 29 1 0 6.319755 5.738047 -5.576578 30 1 0 5.463616 5.992302 -4.054970 31 1 0 4.710386 5.049857 -5.352858 32 1 0 8.836181 1.271396 -4.954498 33 1 0 7.301374 1.939689 -5.516034 34 1 0 7.330611 0.396439 -4.647691 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 H 1.077657 0.000000 3 H 1.077487 1.771341 0.000000 4 H 1.078584 1.769220 1.775059 0.000000 5 O 1.432492 2.010732 2.065601 2.060882 0.000000 6 P 2.673766 3.502899 2.966650 2.968055 1.557565 7 S 3.680123 4.465139 3.319362 4.281646 2.939888 8 O 3.885833 4.539244 4.339268 4.122641 2.557025 9 O 2.878040 3.905641 3.045958 2.661207 2.463424 10 C 4.296511 5.320816 4.415291 3.945451 3.833288 11 H 4.831010 5.887095 4.735439 4.632764 4.351503 12 H 4.583512 5.595539 4.706448 4.004029 4.409219 13 H 4.806585 5.749965 5.099904 4.473207 4.097578 14 O 3.267143 3.972372 2.539796 3.972375 3.083460 15 C 4.637672 5.134062 4.418603 5.436422 3.645273 16 O 4.802404 5.704973 4.431295 5.185747 4.079045 17 C 4.753991 4.993408 4.482488 5.715932 3.957441 18 C 5.923963 6.016582 5.748091 6.908405 5.051833 19 C 6.812106 6.985412 6.733929 7.716808 5.739102 20 C 6.723457 7.082327 6.684299 7.501040 5.519301 21 C 5.732756 6.247677 5.645496 6.434597 4.553575 22 H 6.324970 6.258378 6.125207 7.362739 5.608324 23 O 8.017900 8.102430 7.983748 8.934325 6.933652 24 O 7.876603 8.265323 7.899004 8.580525 6.595797 25 H 6.022946 6.664599 5.972124 6.576982 4.810655 26 H 4.245313 4.401475 3.838059 5.263412 3.754599 27 C 8.540124 8.474585 8.473781 9.525195 7.596022 28 C 8.185966 8.498250 8.387261 8.831872 6.817338 29 H 9.554145 9.477251 9.522734 10.524045 8.565749 30 H 8.642679 8.596000 8.444492 9.659880 7.817528 31 H 8.092291 7.906196 8.103995 9.088580 7.200377 32 H 9.182567 9.530638 9.380795 9.787002 7.800830 33 H 8.308566 8.485894 8.548497 9.020656 6.970442 34 H 7.565557 7.915037 7.860508 8.122610 6.155851 6 7 8 9 10 6 P 0.000000 7 S 2.141449 0.000000 8 O 1.446693 2.973912 0.000000 9 O 1.565538 2.894621 2.583456 0.000000 10 C 2.643631 3.659653 3.118650 1.436002 0.000000 11 H 3.032159 3.372310 3.526105 2.059435 1.077623 12 H 3.478478 4.543418 4.052027 2.017016 1.077704 13 H 2.815066 4.102770 2.759064 2.066825 1.078892 14 O 2.917948 1.442763 4.091992 3.364136 4.350971 15 C 3.117955 1.755000 3.356405 4.351972 5.108450 16 O 2.871686 1.441632 3.400847 3.147204 3.318336 17 C 3.953810 2.716829 4.324491 5.238622 6.203191 18 C 5.087811 4.007683 5.175580 6.479676 7.396802 19 C 5.492767 4.520002 5.233052 6.924047 7.646913 20 C 4.909710 4.003533 4.448512 6.261322 6.766359 21 C 3.740522 2.726696 3.440398 4.985078 5.456017 22 H 5.879018 4.842446 6.056603 7.256239 8.269864 23 O 6.739333 5.853529 6.350445 8.202044 8.898366 24 O 5.832170 5.084025 5.113987 7.120903 7.422961 25 H 3.691432 2.875389 3.208145 4.740748 4.936297 26 H 4.059283 2.851513 4.733524 5.195237 6.302111 27 C 7.642525 6.730585 7.391861 9.119787 9.947417 28 C 6.120836 5.845669 5.142178 7.464886 7.754292 29 H 8.567590 7.703062 8.204161 10.059212 10.832312 30 H 7.881043 6.719612 7.803167 9.286841 10.135592 31 H 7.446505 6.753269 7.233055 8.956292 9.893485 32 H 7.005595 6.714725 5.956762 8.270654 8.419777 33 H 6.503248 6.286255 5.580170 7.946764 8.390879 34 H 5.398337 5.447360 4.279049 6.705253 6.951964 11 12 13 14 15 11 H 0.000000 12 H 1.773488 0.000000 13 H 1.774384 1.771741 0.000000 14 O 4.108867 5.010210 5.023836 0.000000 15 C 4.862638 6.083325 5.287108 2.600272 0.000000 16 O 2.656677 4.230632 3.742736 2.501478 2.610375 17 C 6.035683 7.108965 6.445072 2.920102 1.378944 18 C 7.235049 8.346196 7.516678 4.300101 2.390211 19 C 7.443975 8.668256 7.601840 5.164718 2.765083 20 C 6.505699 7.826387 6.624531 4.983562 2.393209 21 C 5.158287 6.510393 5.398322 3.867351 1.394665 22 H 8.143510 9.176979 8.434433 4.886885 3.355999 23 O 8.705282 9.931692 8.781368 6.481354 4.099069 24 O 7.132099 8.500202 7.130256 6.192825 3.632288 25 H 4.568033 6.008722 4.776661 4.214146 2.152639 26 H 6.179672 7.102724 6.685770 2.514383 2.130386 27 C 9.786767 10.946760 9.898907 7.119446 5.004202 28 C 7.626816 8.815691 7.293332 7.018318 4.465866 29 H 10.665680 11.850376 10.720488 8.158804 5.957409 30 H 9.898237 11.114516 10.193848 6.944281 5.055236 31 H 9.841377 10.855770 9.847148 7.056423 5.091697 32 H 8.244315 9.476574 7.894073 7.935477 5.399638 33 H 8.338395 9.439025 7.957414 7.332487 4.774955 34 H 6.921941 7.992399 6.409545 6.699764 4.286961 16 17 18 19 20 16 O 0.000000 17 C 3.812241 0.000000 18 C 4.952851 1.387163 0.000000 19 C 5.177400 2.404720 1.386761 0.000000 20 C 4.350330 2.782727 2.416149 1.406609 0.000000 21 C 3.005036 2.411463 2.777125 2.403551 1.370835 22 H 5.878959 2.125622 1.071769 2.142443 3.394015 23 O 6.456331 3.655739 2.409826 1.336507 2.323760 24 O 5.159233 4.136496 3.651935 2.392411 1.354214 25 H 2.680625 3.385467 3.849485 3.373109 2.112692 26 H 4.109669 1.072502 2.138623 3.377381 3.855164 27 C 7.487212 4.213387 2.827518 2.374512 3.630941 28 C 6.004708 4.938461 4.397301 3.147113 2.341707 29 H 8.382216 5.256470 3.877423 3.229576 4.310801 30 H 7.464994 4.145054 2.823564 2.694658 3.988501 31 H 7.676055 4.163467 2.831443 2.717046 4.029760 32 H 6.705797 5.933206 5.366719 4.053721 3.224870 33 H 6.655792 4.963031 4.196046 2.969648 2.658395 34 H 5.603014 4.931817 4.644420 3.593150 2.634357 21 22 23 24 25 21 C 0.000000 22 H 3.848818 0.000000 23 O 3.585162 2.696640 0.000000 24 O 2.360011 4.529408 2.667767 0.000000 25 H 1.072447 4.921154 4.435227 2.582064 0.000000 26 H 3.382817 2.448559 4.540184 5.208804 4.272190 27 C 4.774957 2.543039 1.402952 4.067247 5.710597 28 C 3.241249 5.192606 3.155546 1.410367 3.349712 29 H 5.568427 3.616849 1.991269 4.445142 6.422993 30 H 4.996337 2.361003 2.059763 4.559962 5.966351 31 H 5.042561 2.342736 2.061485 4.621686 6.022902 32 H 4.094011 6.138849 3.873569 2.004829 4.027254 33 H 3.746854 4.818456 2.665907 2.063517 4.098207 34 H 3.114617 5.510607 3.890216 2.060739 3.044762 26 27 28 29 30 26 H 0.000000 27 C 4.869915 0.000000 28 C 5.986287 4.462515 0.000000 29 H 5.944200 1.078848 4.677836 0.000000 30 H 4.675349 1.083942 5.209403 1.764344 0.000000 31 H 4.688300 1.084272 4.830416 1.764575 1.772025 32 H 6.994164 5.132944 1.080036 5.164335 5.871141 33 H 5.965722 3.795214 1.082763 3.923616 4.683559 34 H 5.931432 5.181361 1.084643 5.515201 5.928800 31 32 33 34 31 H 0.000000 32 H 5.608711 0.000000 33 H 4.051295 1.765665 0.000000 34 H 5.386756 1.768168 1.771016 0.000000 Stoichiometry C10H15O7PS Framework group C1[X(C10H15O7PS)] Deg. of freedom 96 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 3.307721 2.116307 1.349201 2 1 0 3.048971 2.879064 2.065158 3 1 0 3.252574 2.504997 0.345778 4 1 0 4.292334 1.727806 1.556443 5 8 0 2.336892 1.077796 1.525325 6 15 0 2.247862 -0.259519 0.731808 7 16 0 1.253312 0.276303 -1.087414 8 8 0 1.559494 -1.353908 1.380949 9 8 0 3.710205 -0.504129 0.229185 10 6 0 4.174723 -1.769296 -0.266475 11 1 0 3.814404 -1.909812 -1.272306 12 1 0 5.250903 -1.714176 -0.250807 13 1 0 3.827948 -2.562245 0.377719 14 8 0 1.691494 1.603977 -1.443567 15 6 0 -0.456673 0.342612 -0.698077 16 8 0 1.491535 -0.831368 -1.978826 17 6 0 -1.055613 1.560546 -0.454370 18 6 0 -2.404704 1.608064 -0.135127 19 6 0 -3.143717 0.437519 -0.052731 20 6 0 -2.521708 -0.799607 -0.300063 21 6 0 -1.189991 -0.841291 -0.622523 22 1 0 -2.864870 2.559609 0.042355 23 8 0 -4.443620 0.383613 0.253205 24 8 0 -3.246200 -1.943204 -0.265533 25 1 0 -0.729960 -1.788898 -0.823905 26 1 0 -0.484997 2.465836 -0.525846 27 6 0 -5.168314 1.566756 0.461206 28 6 0 -3.437566 -2.509425 1.011928 29 1 0 -6.183322 1.261647 0.662653 30 1 0 -5.151412 2.196766 -0.420685 31 1 0 -4.784480 2.119740 1.311221 32 1 0 -4.004760 -3.416395 0.863021 33 1 0 -3.992818 -1.838524 1.655327 34 1 0 -2.484794 -2.748816 1.471676 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6171155 0.1843998 0.1696497 SCF density gives NOpUse= 1 NOpAll= 1. ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: BldTbl: Degeneracy threshold= 1.00D-02 Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -92.17540 -80.10285 -20.62064 -20.61904 -20.60919 Alpha occ. eigenvalues -- -20.57621 -20.55367 -20.55207 -20.53523 -11.32414 Alpha occ. eigenvalues -- -11.30110 -11.29897 -11.29651 -11.29635 -11.27124 Alpha occ. eigenvalues -- -11.26644 -11.26496 -11.25643 -11.24772 -9.15529 Alpha occ. eigenvalues -- -7.63241 -6.84102 -6.84002 -6.83982 -5.53056 Alpha occ. eigenvalues -- -5.53000 -5.52913 -1.47075 -1.45156 -1.44461 Alpha occ. eigenvalues -- -1.40720 -1.40160 -1.34542 -1.32364 -1.17640 Alpha occ. eigenvalues -- -1.06084 -1.04247 -1.00444 -0.98112 -0.97317 Alpha occ. eigenvalues -- -0.93896 -0.91404 -0.84881 -0.83312 -0.78482 Alpha occ. eigenvalues -- -0.74768 -0.73433 -0.72784 -0.71355 -0.69873 Alpha occ. eigenvalues -- -0.68453 -0.67934 -0.67265 -0.66139 -0.65523 Alpha occ. eigenvalues -- -0.63852 -0.63596 -0.63582 -0.63169 -0.62502 Alpha occ. eigenvalues -- -0.60222 -0.60055 -0.58728 -0.55088 -0.55043 Alpha occ. eigenvalues -- -0.54509 -0.54085 -0.53094 -0.52135 -0.50887 Alpha occ. eigenvalues -- -0.50451 -0.50056 -0.49530 -0.48742 -0.48262 Alpha occ. eigenvalues -- -0.47990 -0.46723 -0.44407 -0.40411 -0.35290 Alpha occ. eigenvalues -- -0.32911 Alpha virt. eigenvalues -- 0.10300 0.13116 0.20916 0.21432 0.21528 Alpha virt. eigenvalues -- 0.22620 0.24172 0.25043 0.26395 0.26961 Alpha virt. eigenvalues -- 0.27393 0.29207 0.29798 0.30134 0.30348 Alpha virt. eigenvalues -- 0.30703 0.31196 0.31408 0.32169 0.32260 Alpha virt. eigenvalues -- 0.33062 0.34070 0.34261 0.34752 0.35307 Alpha virt. eigenvalues -- 0.36234 0.37471 0.38661 0.40004 0.42623 Alpha virt. eigenvalues -- 0.46354 0.48094 0.49581 0.51050 0.52609 Alpha virt. eigenvalues -- 0.55333 0.56757 0.58129 0.58401 0.61103 Alpha virt. eigenvalues -- 0.63600 0.65967 0.66807 0.70448 0.71136 Alpha virt. eigenvalues -- 0.71795 0.73511 0.73836 0.74634 0.75872 Alpha virt. eigenvalues -- 0.76578 0.77094 0.77696 0.78019 0.78907 Alpha virt. eigenvalues -- 0.79658 0.80346 0.81586 0.81954 0.85467 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3.05444 3.09560 Alpha virt. eigenvalues -- 3.11171 3.12953 3.14942 3.17512 3.19864 Alpha virt. eigenvalues -- 3.20583 3.22578 3.25125 3.30484 3.33821 Alpha virt. eigenvalues -- 3.43165 3.65083 3.81131 3.83876 4.22124 Alpha virt. eigenvalues -- 4.32362 4.38852 4.41197 4.42291 4.47279 Alpha virt. eigenvalues -- 4.48952 4.51163 4.57697 4.62822 4.64942 Alpha virt. eigenvalues -- 4.67574 4.68525 4.70918 4.80574 4.81693 Alpha virt. eigenvalues -- 4.99455 5.41668 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.867454 0.395831 0.393480 0.396443 0.160259 -0.016211 2 H 0.395831 0.495858 -0.026428 -0.029334 -0.033375 0.000857 3 H 0.393480 -0.026428 0.468948 -0.028937 -0.030988 -0.004796 4 H 0.396443 -0.029334 -0.028937 0.508551 -0.032105 -0.008873 5 O 0.160259 -0.033375 -0.030988 -0.032105 8.396312 0.301600 6 P -0.016211 0.000857 -0.004796 -0.008873 0.301600 12.185175 7 S -0.002566 -0.000334 0.000025 0.000271 -0.024649 0.284987 8 O 0.000196 -0.000012 -0.000037 -0.000027 -0.024843 0.614415 9 O 0.001821 0.000117 0.000191 0.002908 -0.031399 0.272705 10 C 0.000058 -0.000001 -0.000017 0.000005 0.000482 -0.020992 11 H -0.000000 -0.000000 -0.000002 0.000011 -0.000046 -0.005311 12 H 0.000033 -0.000001 0.000003 0.000027 -0.000017 0.001334 13 H -0.000000 0.000000 -0.000001 -0.000002 -0.000051 -0.007392 14 O -0.003668 0.000093 0.005107 0.000053 0.002318 -0.007730 15 C 0.000171 0.000020 0.000063 -0.000001 0.001921 -0.040512 16 O 0.000008 0.000000 -0.000020 0.000003 0.000353 -0.017480 17 C 0.000014 0.000000 -0.000016 0.000000 0.000223 0.000503 18 C 0.000001 -0.000000 0.000001 -0.000000 -0.000007 -0.000048 19 C 0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000024 20 C -0.000000 0.000000 -0.000000 0.000000 0.000005 -0.000289 21 C 0.000004 0.000000 -0.000001 0.000000 0.000074 -0.000677 22 H 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000003 23 O 0.000000 0.000000 -0.000000 -0.000000 -0.000000 0.000000 24 O -0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000004 25 H 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0.451757 0.007379 -0.038824 -0.026734 22 H -0.000000 0.000001 0.002478 0.000000 -0.024760 0.381717 23 O 0.000000 -0.000000 -0.000032 -0.000000 0.003603 -0.061277 24 O -0.000000 0.000000 0.004018 -0.000000 -0.000039 0.004173 25 H 0.000002 0.000046 -0.027497 0.004247 0.002768 -0.000162 26 H 0.000000 0.005308 -0.024011 0.000029 0.377470 -0.023900 27 C 0.000000 0.000000 0.000016 -0.000000 -0.000427 -0.007753 28 C 0.000000 -0.000000 -0.000232 -0.000000 0.000040 -0.000171 29 H -0.000000 0.000000 -0.000000 0.000000 0.000013 0.000239 30 H 0.000000 0.000000 -0.000001 0.000000 -0.000194 0.001907 31 H -0.000000 -0.000000 -0.000004 -0.000000 -0.000168 0.001133 32 H -0.000000 0.000000 0.000004 -0.000000 -0.000001 0.000006 33 H 0.000000 0.000000 0.000059 0.000000 -0.000000 -0.000289 34 H -0.000000 -0.000000 -0.000273 -0.000000 -0.000022 0.000062 19 20 21 22 23 24 1 C 0.000000 -0.000000 0.000004 0.000000 0.000000 -0.000000 2 H -0.000000 0.000000 0.000000 -0.000000 0.000000 -0.000000 3 H 0.000000 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0.523089 -0.065713 -0.027509 0.282461 -0.057087 20 C 0.523089 4.570612 0.582121 0.000777 -0.063482 0.228783 21 C -0.065713 0.582121 4.961028 0.000345 0.002233 -0.050969 22 H -0.027509 0.000777 0.000345 0.447356 -0.004122 -0.000034 23 O 0.282461 -0.063482 0.002233 -0.004122 8.390032 -0.001970 24 O -0.057087 0.228783 -0.050969 -0.000034 -0.001970 8.439064 25 H 0.003490 -0.020991 0.369489 0.000008 -0.000039 0.000021 26 H 0.001018 0.000246 0.002437 -0.001263 -0.000029 0.000001 27 C -0.042575 0.003100 -0.000083 0.001992 0.196175 -0.000155 28 C -0.003068 -0.042292 -0.003812 -0.000001 -0.001138 0.199754 29 H 0.002165 0.000155 0.000005 0.000068 -0.032758 -0.000001 30 H -0.001971 -0.000278 -0.000021 -0.000269 -0.037463 -0.000003 31 H -0.002210 -0.000368 0.000001 -0.000377 -0.037552 -0.000006 32 H -0.000185 0.004653 -0.000111 -0.000000 0.000032 -0.033691 33 H 0.001978 -0.004052 0.000474 0.000003 0.002635 -0.037697 34 H 0.000291 -0.000646 0.001953 -0.000000 0.000048 -0.038743 25 26 27 28 29 30 1 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-0.000427 0.000040 0.000013 -0.000194 18 C -0.000162 -0.023900 -0.007753 -0.000171 0.000239 0.001907 19 C 0.003490 0.001018 -0.042575 -0.003068 0.002165 -0.001971 20 C -0.020991 0.000246 0.003100 -0.042292 0.000155 -0.000278 21 C 0.369489 0.002437 -0.000083 -0.003812 0.000005 -0.000021 22 H 0.000008 -0.001263 0.001992 -0.000001 0.000068 -0.000269 23 O -0.000039 -0.000029 0.196175 -0.001138 -0.032758 -0.037463 24 O 0.000021 0.000001 -0.000155 0.199754 -0.000001 -0.000003 25 H 0.398937 -0.000083 0.000002 0.000246 -0.000000 -0.000000 26 H -0.000083 0.406248 -0.000007 0.000000 -0.000000 -0.000001 27 C 0.000002 -0.000007 4.856836 0.000023 0.405565 0.391480 28 C 0.000246 0.000000 0.000023 4.841713 0.000007 0.000002 29 H -0.000000 -0.000000 0.405565 0.000007 0.477425 -0.026886 30 H -0.000000 -0.000001 0.391480 0.000002 -0.026886 0.543879 31 H 0.000000 0.000001 0.390914 -0.000000 -0.028059 -0.041955 32 H -0.000059 0.000000 -0.000003 0.400135 -0.000000 0.000000 33 H 0.000063 0.000000 -0.000027 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22 H -0.000377 -0.000000 0.000003 -0.000000 23 O -0.037552 0.000032 0.002635 0.000048 24 O -0.000006 -0.033691 -0.037697 -0.038743 25 H 0.000000 -0.000059 0.000063 0.000050 26 H 0.000001 0.000000 0.000000 -0.000000 27 C 0.390914 -0.000003 -0.000027 -0.000001 28 C -0.000000 0.400135 0.392032 0.391443 29 H -0.028059 -0.000000 -0.000032 0.000000 30 H -0.041955 0.000000 0.000014 -0.000000 31 H 0.551242 0.000000 -0.000002 -0.000000 32 H 0.000000 0.506020 -0.029142 -0.028814 33 H -0.000002 -0.029142 0.546488 -0.039663 34 H -0.000000 -0.028814 -0.039663 0.547479 Mulliken charges: 1 1 C -0.193366 2 H 0.196707 3 H 0.223389 4 H 0.191007 5 O -0.686055 6 P 1.468757 7 S 1.225264 8 O -0.681590 9 O -0.721819 10 C -0.202076 11 H 0.224729 12 H 0.194841 13 H 0.203934 14 O -0.710011 15 C -0.363604 16 O -0.701811 17 C -0.145853 18 C -0.287661 19 C 0.426041 20 C 0.347629 21 C -0.159147 22 H 0.223597 23 O -0.637358 24 O -0.655367 25 H 0.272296 26 H 0.260908 27 C -0.195074 28 C -0.174677 29 H 0.202094 30 H 0.171759 31 H 0.167412 32 H 0.181155 33 H 0.167158 34 H 0.166793 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.417738 5 O -0.686055 6 P 1.468757 7 S 1.225264 8 O -0.681590 9 O -0.721819 10 C 0.421428 14 O -0.710011 15 C -0.363604 16 O -0.701811 17 C 0.115054 18 C -0.064064 19 C 0.426041 20 C 0.347629 21 C 0.113149 23 O -0.637358 24 O -0.655367 27 C 0.346191 28 C 0.340429 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147214544 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 2.10D+01 NSMCal= 5886 NSMKep= 4552 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrSmSu: IncTry= 512 NBBP= 4552 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 2146802257 working-precision words and 4552 shell-pairs IPart= 0 NShTot= 4552 NBatch= 68 AvBLen= 66.9 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 46. Electronic moments (au): -162.00000000 -0.21843154 1.12860336 1.31901408 -4843.69542531 -1170.39564587 -651.08767840 -7.77813608 -0.89024159 3.42730299 8299.28795408 338.13877066 112.95988640 1086.95692073 38.08204941 -2626.60134046 -1250.68655949 -99.24037754 -620.98478868 -786.65800548 -270015.38624615 -19837.61189534 -6436.19811321 21064.58728935 6678.00252189 -6447.63761816 676.02963356 348.88751575 -565.76835679 -43652.87219668 -13715.61007339 -5044.12446367 -3813.25100027 853.18368650 -2559.88532759 Electronic spatial extent (au): = 6665.1787 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 162.00000000 0.00000000 0.00000000 0.00000000 4774.45831544 1085.60353419 549.27696915 -0.00000000 -0.00000000 -0.00000000 -8241.60312953 -334.96060822 -89.64878179 -1084.44353814 2.40529980 2693.05385065 1238.85717807 104.79354858 649.91125491 827.64127975 256033.75533379 16157.41435981 4193.89717298 -21880.93867404 -6923.44880075 6494.63521138 -613.86570861 -301.02620254 595.17049591 40916.40548459 10643.81767447 4003.79799120 3911.54738848 -882.36951463 2635.43841994 Total moments (au): -0.00000000 -0.21843154 1.12860336 1.31901408 -69.23710987 -84.79211168 -101.81070925 -7.77813608 -0.89024159 3.42730299 57.68482455 3.17816245 23.31110461 2.51338259 40.48734921 66.45251019 -11.82938142 5.55317103 28.92646622 40.98327426 -13981.63091236 -3680.19753553 -2242.30094023 -816.35138469 -245.44627885 46.99759322 62.16392495 47.86131321 29.40213912 -2736.46671209 -3071.79239892 -1040.32647246 98.29638821 -29.18582813 75.55309235 Traceless Quadrup. (au): 16.04286706 0.48786526 -16.53073232 -7.77813608 -0.89024159 3.42730299 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= -0.5552 Y= 2.8686 Z= 3.3526 Tot= 4.4472 Quadrupole moment (field-independent basis, Debye-Ang): XX= -93.1263 YY= -114.0483 ZZ= -136.9389 XY= -10.4619 XZ= -1.1974 YZ= 4.6098 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 21.5782 YY= 0.6562 ZZ= -22.2344 XY= -10.4619 XZ= -1.1974 YZ= 4.6098 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 41.0578 YYY= 2.2621 ZZZ= 16.5919 XYY= 1.7889 XXY= 28.8173 XXZ= 47.2983 XZZ= -8.4197 YZZ= 3.9525 YYZ= 20.5887 XYZ= 29.1703 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -5266.1526 YYYY= -1386.1389 ZZZZ= -844.5581 XXXY= -307.4771 XXXZ= -92.4468 YYYX= 17.7015 YYYZ= 23.4139 ZZZX= 18.0269 ZZZY= 11.0743 XXYY= -1030.6846 XXZZ= -1156.9843 YYZZ= -391.8368 XXYZ= 37.0231 YYXZ= -10.9928 ZZXY= 28.4569 N-N= 1.946276902993D+03 E-N=-7.791082257802D+03 KE= 1.647476611583D+03 Entering OneElI... OneElI was handed 2147265663 working-precision words. Calculate electrostatic properties NBasis = 323 MinDer = 0 MaxDer = 0 NGrid = 34 NMatD = 1 Requested accuracy = 0.1000D-12 PrtBox: NBox= 1 Levels= 1 BoxLen= 38.65 SMaxX= 21.61 Shift= 11.684785 6.456052 3.739440 Box 1 Number 0 centers from 1 to 108: ShPair: Thresh= 1.00D-13 NBox= 1 BxSize= 3.86D+01 RnKept= 1.74D+01 NSMCal= 5886 NSMKep= 3917 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 133178 NTPThr= 100 NPartT= 12 Incr= 110 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= 110. PRISM was handed 178795547 working-precision words and 3917 shell-pairs PRISM was handed 178795547 working-precision words and 3917 shell-pairs PRISM was handed 178795547 working-precision words and 3917 shell-pairs PRISM was handed 178795547 working-precision words and 3917 shell-pairs PRISM was handed 178795547 working-precision words and 3917 shell-pairs PRISM was handed 178795547 working-precision words and 3917 shell-pairs PRISM was handed 178795547 working-precision words and 3917 shell-pairs PRISM was handed 178795547 working-precision words and 3917 shell-pairs PRISM was handed 178795547 working-precision words and 3917 shell-pairs PRISM was handed 178795547 working-precision words and 3917 shell-pairs PRISM was handed 178795547 working-precision words and 3917 shell-pairs PRISM was handed 178795547 working-precision words and 3917 shell-pairs IPart= 0 NShTot= 11968 NBatch= 352 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 7 NShTot= 10812 NBatch= 318 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 6 NShTot= 11050 NBatch= 325 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 5 NShTot= 11220 NBatch= 330 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 10370 NBatch= 305 AvBLen= 34.0 IPart= 10 NShTot= 10506 NBatch= 309 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 8 NShTot= 10710 NBatch= 315 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 9 NShTot= 10642 NBatch= 313 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 11322 NBatch= 333 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 2 NShTot= 11492 NBatch= 338 AvBLen= 34.0 IPart= 3 NShTot= 11390 NBatch= 335 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 11696 NBatch= 344 AvBLen= 34.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 1321. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.098307 -0.198921 0.297229 2 Atom 0.128100 -0.084764 -0.043336 3 Atom 0.154009 0.085892 -0.239901 4 Atom -0.238483 0.085445 0.153039 5 Atom 0.259832 -0.950205 0.690373 6 Atom -0.165718 0.286183 -0.120465 7 Atom -0.019435 0.027089 -0.007654 8 Atom 0.157810 -0.302200 0.144390 9 Atom -0.437435 -0.408731 0.846166 10 Atom 0.157311 -0.362936 0.205625 11 Atom 0.110879 0.136909 -0.247789 12 Atom -0.314501 0.146099 0.168402 13 Atom 0.114788 -0.107565 -0.007223 14 Atom 0.592776 -1.140196 0.547420 15 Atom -0.158487 0.199078 -0.040591 16 Atom 0.744814 -0.621956 -0.122858 17 Atom 0.181660 0.196378 -0.378037 18 Atom 0.100792 0.075295 -0.176087 19 Atom -0.114409 0.409126 -0.294718 20 Atom 0.160495 -0.065538 -0.094957 21 Atom 0.163906 0.181268 -0.345174 22 Atom 0.059656 -0.230169 0.170514 23 Atom -1.276792 -0.076476 1.353268 24 Atom 1.099452 -0.562455 -0.536996 25 Atom 0.066420 -0.222357 0.155937 26 Atom 0.024158 -0.193873 0.169715 27 Atom 0.026949 -0.211571 0.184622 28 Atom 0.194753 0.094864 -0.289617 29 Atom -0.263653 0.111952 0.151701 30 Atom 0.153213 -0.005981 -0.147232 31 Atom 0.091845 0.030272 -0.122117 32 Atom 0.035613 -0.174317 0.138704 33 Atom 0.042160 -0.025602 -0.016558 34 Atom -0.200415 0.136260 0.064155 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.417602 0.051043 0.040332 2 Atom 0.068460 0.081051 -0.225133 3 Atom -0.006804 -0.020851 0.157491 4 Atom 0.144712 -0.084346 0.036956 5 Atom -1.054343 0.142657 -0.564450 6 Atom 0.405082 -0.153955 -0.433560 7 Atom -0.042942 0.177298 0.012438 8 Atom -0.381707 0.233403 0.383789 9 Atom 0.800208 0.626809 -0.703676 10 Atom 0.273266 0.117016 -0.256654 11 Atom -0.008986 -0.141530 -0.064518 12 Atom -0.019100 -0.005053 -0.009902 13 Atom -0.099227 0.096825 0.198684 14 Atom -0.619698 0.210134 0.448774 15 Atom 0.014062 -0.005125 0.016116 16 Atom 0.245001 0.299805 -0.989883 17 Atom 0.027855 -0.136340 0.038613 18 Atom -0.001404 -0.067772 0.018376 19 Atom 0.031013 -0.044399 0.052932 20 Atom -0.172724 -0.094828 0.023521 21 Atom -0.010655 -0.139449 0.054734 22 Atom 0.184684 0.043012 -0.073931 23 Atom 0.862136 0.696395 -0.225256 24 Atom -1.461102 0.217650 0.893662 25 Atom 0.178444 0.041291 -0.080374 26 Atom -0.211805 0.016629 0.023577 27 Atom 0.292501 0.047902 -0.081645 28 Atom -0.038635 0.079804 0.246144 29 Atom -0.117529 0.086690 0.022637 30 Atom 0.005479 0.012267 0.216577 31 Atom -0.073789 -0.129912 -0.187643 32 Atom -0.213456 -0.032321 -0.047512 33 Atom 0.146213 0.147009 -0.163172 34 Atom 0.086123 -0.165425 0.053275 -------------------------------------------------------- --------------------------------------------------------------------------------- Nuclear Quadrupole Coupling Constant in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Sat Aug 31 12:31:42 2024, MaxMem= 2147483648 cpu: 1.4 elap: 0.2 FitSet: NAtFit= 34 NAtPot= 34 NAtFrz= 0 MDM= 38 TotChg= 0.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 6 1.50 2 1 1.20 3 1 1.20 4 1 1.20 5 8 1.40 6 15 1.80 7 16 1.75 8 8 1.40 9 8 1.40 10 6 1.50 11 1 1.20 12 1 1.20 13 1 1.20 14 8 1.40 15 6 1.50 16 8 1.40 17 6 1.50 18 6 1.50 19 6 1.50 20 6 1.50 21 6 1.50 22 1 1.20 23 8 1.40 24 8 1.40 25 1 1.20 26 1 1.20 27 6 1.50 28 6 1.50 29 1 1.20 30 1 1.20 31 1 1.20 32 1 1.20 33 1 1.20 34 1 1.20 Generate VDW surfaces: Layer= 4 Dens= 6 Start= 1.400 Inc= 0.200 ********************************************************************** Electrostatic Properties Using The SCF Density. ********************************************************************** Atomic Center 1 is at 3.307721 2.116307 1.349201 Atomic Center 2 is at 3.048971 2.879064 2.065158 Atomic Center 3 is at 3.252574 2.504997 0.345778 Atomic Center 4 is at 4.292334 1.727806 1.556443 Atomic Center 5 is at 2.336892 1.077796 1.525325 Atomic Center 6 is at 2.247862 -0.259519 0.731808 Atomic Center 7 is at 1.253312 0.276303 -1.087414 Atomic Center 8 is at 1.559494 -1.353908 1.380949 Atomic Center 9 is at 3.710205 -0.504129 0.229185 Atomic Center 10 is at 4.174723 -1.769296 -0.266475 Atomic Center 11 is at 3.814404 -1.909812 -1.272306 Atomic Center 12 is at 5.250903 -1.714176 -0.250807 Atomic Center 13 is at 3.827948 -2.562245 0.377719 Atomic Center 14 is at 1.691494 1.603977 -1.443567 Atomic Center 15 is at -0.456673 0.342612 -0.698077 Atomic Center 16 is at 1.491535 -0.831368 -1.978826 Atomic Center 17 is at -1.055613 1.560546 -0.454370 Atomic Center 18 is at -2.404704 1.608064 -0.135127 Atomic Center 19 is at -3.143717 0.437519 -0.052731 Atomic Center 20 is at -2.521708 -0.799607 -0.300063 Atomic Center 21 is at -1.189991 -0.841291 -0.622523 Atomic Center 22 is at -2.864870 2.559609 0.042355 Atomic Center 23 is at -4.443620 0.383613 0.253205 Atomic Center 24 is at -3.246200 -1.943204 -0.265533 Atomic Center 25 is at -0.729960 -1.788898 -0.823905 Atomic Center 26 is at -0.484997 2.465836 -0.525846 Atomic Center 27 is at -5.168314 1.566756 0.461206 Atomic Center 28 is at -3.437566 -2.509425 1.011928 Atomic Center 29 is at -6.183322 1.261647 0.662653 Atomic Center 30 is at -5.151412 2.196766 -0.420685 Atomic Center 31 is at -4.784480 2.119740 1.311221 Atomic Center 32 is at -4.004760 -3.416395 0.863021 Atomic Center 33 is at -3.992818 -1.838524 1.655327 Atomic Center 34 is at -2.484794 -2.748816 1.471676 ESP Fit Center 35 is at 3.717411 2.116307 3.408850 ESP Fit Center 36 is at 3.102876 1.761505 3.408850 ESP Fit Center 37 is at 3.512566 1.761505 3.408850 ESP Fit Center 38 is at 4.111356 2.116307 3.289348 ESP Fit Center 39 is at 3.307721 1.312672 3.289348 ESP Fit Center 40 is at 3.709539 1.420338 3.289348 ESP Fit Center 41 is at 4.003690 1.714489 3.289348 ESP Fit Center 42 is at 4.395634 2.537767 3.095287 ESP Fit Center 43 is at 3.827763 1.071922 3.095287 ESP Fit Center 44 is at 4.556919 2.919118 2.834125 ESP Fit Center 45 is at 4.852259 3.290434 2.152836 ESP Fit Center 46 is at 4.998206 3.292919 1.758891 ESP Fit Center 47 is at 4.726751 3.609126 1.758891 ESP Fit Center 48 is at 4.397201 3.864216 1.758891 ESP Fit Center 49 is at 5.053807 3.283004 1.349201 ESP Fit Center 50 is at 4.792645 3.601231 1.349201 ESP Fit Center 51 is at 4.474419 3.862393 1.349201 ESP Fit Center 52 is at 4.111356 4.056454 1.349201 ESP Fit Center 53 is at 1.561635 3.283004 1.349201 ESP Fit Center 54 is at 1.367574 2.919942 1.349201 ESP Fit Center 55 is at 4.998206 3.292919 0.939511 ESP Fit Center 56 is at 4.726751 3.609126 0.939511 ESP Fit Center 57 is at 4.397201 3.864216 0.939511 ESP Fit Center 58 is at 4.023048 4.047747 0.939511 ESP Fit Center 59 is at 3.619609 4.152205 0.939511 ESP Fit Center 60 is at 3.203402 4.173312 0.939511 ESP Fit Center 61 is at 2.791465 4.110206 0.939511 ESP Fit Center 62 is at 2.400664 3.965469 0.939511 ESP Fit Center 63 is at 2.046998 3.745027 0.939511 ESP Fit Center 64 is at 1.744946 3.457906 0.939511 ESP Fit Center 65 is at 1.506874 3.115859 0.939511 ESP Fit Center 66 is at 1.342529 2.732890 0.939511 ESP Fit Center 67 is at 5.068551 2.930953 0.545566 ESP Fit Center 68 is at 4.852259 3.290434 0.545566 ESP Fit Center 69 is at 4.563746 3.595013 0.545566 ESP Fit Center 70 is at 1.645292 3.116557 0.545566 ESP Fit Center 71 is at 1.469135 2.735799 0.545566 ESP Fit Center 72 is at 5.003069 2.534173 0.182503 ESP Fit Center 73 is at 4.556919 1.313496 -0.135723 ESP Fit Center 74 is at 4.732495 1.697955 -0.135723 ESP Fit Center 75 is at 3.048971 2.879064 3.745158 ESP Fit Center 76 is at 3.483787 2.879064 3.687913 ESP Fit Center 77 is at 3.266379 3.255626 3.687913 ESP Fit Center 78 is at 2.831563 3.255626 3.687913 ESP Fit Center 79 is at 2.614155 2.879064 3.687913 ESP Fit Center 80 is at 2.831563 2.502503 3.687913 ESP Fit Center 81 is at 3.266379 2.502503 3.687913 ESP Fit Center 82 is at 3.888971 2.879064 3.520080 ESP Fit Center 83 is at 3.776432 3.299064 3.520080 ESP Fit Center 84 is at 3.468971 3.606526 3.520080 ESP Fit Center 85 is at 3.048971 3.719064 3.520080 ESP Fit Center 86 is at 2.628971 3.606526 3.520080 ESP Fit Center 87 is at 2.321509 3.299064 3.520080 ESP Fit Center 88 is at 2.208971 2.879064 3.520080 ESP Fit Center 89 is at 2.321509 2.459064 3.520080 ESP Fit Center 90 is at 2.628971 2.151603 3.520080 ESP Fit Center 91 is at 3.048971 2.039064 3.520080 ESP Fit Center 92 is at 3.468971 2.151603 3.520080 ESP Fit Center 93 is at 3.776432 2.459064 3.520080 ESP Fit Center 94 is at 4.236910 2.879064 3.253097 ESP Fit Center 95 is at 4.156691 3.308198 3.253097 ESP Fit Center 96 is at 3.926869 3.679374 3.253097 ESP Fit Center 97 is at 3.578481 3.942464 3.253097 ESP Fit Center 98 is at 3.158580 4.061936 3.253097 ESP Fit Center 99 is at 2.723876 4.021655 3.253097 ESP Fit Center 100 is at 2.333077 3.827060 3.253097 ESP Fit Center 101 is at 2.038964 3.504434 3.253097 ESP Fit Center 102 is at 1.881258 3.097348 3.253097 ESP Fit Center 103 is at 1.881258 2.660781 3.253097 ESP Fit Center 104 is at 2.038964 2.253695 3.253097 ESP Fit Center 105 is at 4.156691 2.449931 3.253097 ESP Fit Center 106 is at 4.503893 2.879064 2.905158 ESP Fit Center 107 is at 4.439255 3.307910 2.905158 ESP Fit Center 108 is at 4.251084 3.698651 2.905158 ESP Fit Center 109 is at 3.956100 4.016569 2.905158 ESP Fit Center 110 is at 3.580514 4.233414 2.905158 ESP Fit Center 111 is at 3.157697 4.329919 2.905158 ESP Fit Center 112 is at 2.725220 4.297509 2.905158 ESP Fit Center 113 is at 2.321509 4.139064 2.905158 ESP Fit Center 114 is at 1.982437 3.868663 2.905158 ESP Fit Center 115 is at 1.738131 3.510332 2.905158 ESP Fit Center 116 is at 1.610298 3.095909 2.905158 ESP Fit Center 117 is at 1.610298 2.662219 2.905158 ESP Fit Center 118 is at 4.616432 3.299064 2.499974 ESP Fit Center 119 is at 4.454318 3.690442 2.499974 ESP Fit Center 120 is at 4.196432 4.026526 2.499974 ESP Fit Center 121 is at 3.860348 4.284412 2.499974 ESP Fit Center 122 is at 3.468971 4.446526 2.499974 ESP Fit Center 123 is at 3.048971 4.501820 2.499974 ESP Fit Center 124 is at 2.628971 4.446526 2.499974 ESP Fit Center 125 is at 2.237593 4.284412 2.499974 ESP Fit Center 126 is at 1.901509 4.026526 2.499974 ESP Fit Center 127 is at 1.643623 3.690442 2.499974 ESP Fit Center 128 is at 1.481509 3.299064 2.499974 ESP Fit Center 129 is at 1.426215 2.879064 2.499974 ESP Fit Center 130 is at 4.521166 3.688411 2.065158 ESP Fit Center 131 is at 4.273638 4.029103 2.065158 ESP Fit Center 132 is at 3.949160 4.297535 2.065158 ESP Fit Center 133 is at 3.568119 4.476839 2.065158 ESP Fit Center 134 is at 3.154459 4.555749 2.065158 ESP Fit Center 135 is at 2.734170 4.529307 2.065158 ESP Fit Center 136 is at 2.333662 4.399174 2.065158 ESP Fit Center 137 is at 1.978098 4.173527 2.065158 ESP Fit Center 138 is at 1.689822 3.866544 2.065158 ESP Fit Center 139 is at 1.486946 3.497514 2.065158 ESP Fit Center 140 is at 1.382218 3.089624 2.065158 ESP Fit Center 141 is at 4.196432 4.026526 1.630342 ESP Fit Center 142 is at 3.860348 4.284412 1.630342 ESP Fit Center 143 is at 3.468971 4.446526 1.630342 ESP Fit Center 144 is at 3.048971 4.501820 1.630342 ESP Fit Center 145 is at 2.628971 4.446526 1.630342 ESP Fit Center 146 is at 2.237593 4.284412 1.630342 ESP Fit Center 147 is at 1.901509 4.026526 1.630342 ESP Fit Center 148 is at 1.643623 3.690442 1.630342 ESP Fit Center 149 is at 1.481509 3.299064 1.630342 ESP Fit Center 150 is at 3.580514 4.233414 1.225158 ESP Fit Center 151 is at 3.157697 4.329919 1.225158 ESP Fit Center 152 is at 2.725220 4.297509 1.225158 ESP Fit Center 153 is at 2.321509 4.139064 1.225158 ESP Fit Center 154 is at 1.982437 3.868663 1.225158 ESP Fit Center 155 is at 1.738131 3.510332 1.225158 ESP Fit Center 156 is at 4.724769 3.314343 0.345778 ESP Fit Center 157 is at 4.477241 3.655036 0.345778 ESP Fit Center 158 is at 4.152763 3.923468 0.345778 ESP Fit Center 159 is at 3.771722 4.102772 0.345778 ESP Fit Center 160 is at 3.358062 4.181682 0.345778 ESP Fit Center 161 is at 2.937773 4.155240 0.345778 ESP Fit Center 162 is at 2.537264 4.025107 0.345778 ESP Fit Center 163 is at 2.181701 3.799459 0.345778 ESP Fit Center 164 is at 1.893425 3.492476 0.345778 ESP Fit Center 165 is at 1.690549 3.123446 0.345778 ESP Fit Center 166 is at 4.875329 2.504997 -0.089038 ESP Fit Center 167 is at 4.820035 2.924997 -0.089038 ESP Fit Center 168 is at 4.657921 3.316375 -0.089038 ESP Fit Center 169 is at 4.400035 3.652458 -0.089038 ESP Fit Center 170 is at 4.063951 3.910345 -0.089038 ESP Fit Center 171 is at 3.672574 4.072458 -0.089038 ESP Fit Center 172 is at 3.252574 4.127753 -0.089038 ESP Fit Center 173 is at 2.832574 4.072458 -0.089038 ESP Fit Center 174 is at 2.441196 3.910345 -0.089038 ESP Fit Center 175 is at 2.105112 3.652458 -0.089038 ESP Fit Center 176 is at 1.847226 3.316375 -0.089038 ESP Fit Center 177 is at 4.707496 2.504997 -0.494222 ESP Fit Center 178 is at 4.642858 2.933843 -0.494222 ESP Fit Center 179 is at 4.454687 3.324584 -0.494222 ESP Fit Center 180 is at 4.159703 3.642501 -0.494222 ESP Fit Center 181 is at 3.784117 3.859346 -0.494222 ESP Fit Center 182 is at 3.361300 3.955852 -0.494222 ESP Fit Center 183 is at 2.928823 3.923442 -0.494222 ESP Fit Center 184 is at 2.525112 3.764997 -0.494222 ESP Fit Center 185 is at 2.186040 3.494596 -0.494222 ESP Fit Center 186 is at 4.159703 1.367493 -0.494222 ESP Fit Center 187 is at 4.454687 1.685410 -0.494222 ESP Fit Center 188 is at 4.642858 2.076151 -0.494222 ESP Fit Center 189 is at 4.440513 2.504997 -0.842161 ESP Fit Center 190 is at 4.360294 2.934130 -0.842161 ESP Fit Center 191 is at 4.130471 3.305307 -0.842161 ESP Fit Center 192 is at 3.782084 3.568397 -0.842161 ESP Fit Center 193 is at 3.362183 3.687869 -0.842161 ESP Fit Center 194 is at 2.927479 3.647588 -0.842161 ESP Fit Center 195 is at 2.536680 3.452993 -0.842161 ESP Fit Center 196 is at 3.782084 1.441597 -0.842161 ESP Fit Center 197 is at 4.130471 1.704688 -0.842161 ESP Fit Center 198 is at 4.360294 2.075864 -0.842161 ESP Fit Center 199 is at 4.092574 2.504997 -1.109145 ESP Fit Center 200 is at 3.980035 2.924997 -1.109145 ESP Fit Center 201 is at 3.672574 3.232458 -1.109145 ESP Fit Center 202 is at 3.252574 3.344997 -1.109145 ESP Fit Center 203 is at 2.832574 3.232458 -1.109145 ESP Fit Center 204 is at 3.672574 1.777536 -1.109145 ESP Fit Center 205 is at 3.980035 2.084997 -1.109145 ESP Fit Center 206 is at 3.687390 2.504997 -1.276977 ESP Fit Center 207 is at 3.469982 2.881559 -1.276977 ESP Fit Center 208 is at 4.292334 1.727806 3.236443 ESP Fit Center 209 is at 4.727150 1.727806 3.179198 ESP Fit Center 210 is at 4.509742 2.104368 3.179198 ESP Fit Center 211 is at 4.074926 1.351244 3.179198 ESP Fit Center 212 is at 4.509742 1.351244 3.179198 ESP Fit Center 213 is at 5.132334 1.727806 3.011365 ESP Fit Center 214 is at 5.019795 2.147806 3.011365 ESP Fit Center 215 is at 4.712334 2.455267 3.011365 ESP Fit Center 216 is at 4.292334 0.887806 3.011365 ESP Fit Center 217 is at 4.712334 1.000345 3.011365 ESP Fit Center 218 is at 5.019795 1.307806 3.011365 ESP Fit Center 219 is at 5.480273 1.727806 2.744382 ESP Fit Center 220 is at 5.400054 2.156939 2.744382 ESP Fit Center 221 is at 5.170232 2.528116 2.744382 ESP Fit Center 222 is at 4.821844 2.791206 2.744382 ESP Fit Center 223 is at 3.967239 0.585216 2.744382 ESP Fit Center 224 is at 4.401943 0.544934 2.744382 ESP Fit Center 225 is at 4.821844 0.664406 2.744382 ESP Fit Center 226 is at 5.170232 0.927497 2.744382 ESP Fit Center 227 is at 5.400054 1.298673 2.744382 ESP Fit Center 228 is at 5.747256 1.727806 2.396443 ESP Fit Center 229 is at 5.682618 2.156652 2.396443 ESP Fit Center 230 is at 5.494447 2.547393 2.396443 ESP Fit Center 231 is at 5.199463 2.865310 2.396443 ESP Fit Center 232 is at 4.401060 0.276952 2.396443 ESP Fit Center 233 is at 4.823877 0.373457 2.396443 ESP Fit Center 234 is at 5.199463 0.590302 2.396443 ESP Fit Center 235 is at 5.494447 0.908219 2.396443 ESP Fit Center 236 is at 5.682618 1.298960 2.396443 ESP Fit Center 237 is at 5.915089 1.727806 1.991259 ESP Fit Center 238 is at 5.859795 2.147806 1.991259 ESP Fit Center 239 is at 5.697681 2.539184 1.991259 ESP Fit Center 240 is at 5.439795 2.875267 1.991259 ESP Fit Center 241 is at 5.103711 3.133154 1.991259 ESP Fit Center 242 is at 4.712334 0.160345 1.991259 ESP Fit Center 243 is at 5.103711 0.322459 1.991259 ESP Fit Center 244 is at 5.439795 0.580345 1.991259 ESP Fit Center 245 is at 5.697681 0.916428 1.991259 ESP Fit Center 246 is at 5.859795 1.307806 1.991259 ESP Fit Center 247 is at 5.972334 1.727806 1.556443 ESP Fit Center 248 is at 5.919553 2.145605 1.556443 ESP Fit Center 249 is at 5.764529 2.537152 1.556443 ESP Fit Center 250 is at 5.517001 2.877845 1.556443 ESP Fit Center 251 is at 5.192523 3.146277 1.556443 ESP Fit Center 252 is at 5.192523 0.309335 1.556443 ESP Fit Center 253 is at 5.517001 0.577767 1.556443 ESP Fit Center 254 is at 5.764529 0.918460 1.556443 ESP Fit Center 255 is at 5.919553 1.310007 1.556443 ESP Fit Center 256 is at 5.915089 1.727806 1.121627 ESP Fit Center 257 is at 5.859795 2.147806 1.121627 ESP Fit Center 258 is at 5.697681 2.539184 1.121627 ESP Fit Center 259 is at 5.439795 2.875267 1.121627 ESP Fit Center 260 is at 5.439795 0.580345 1.121627 ESP Fit Center 261 is at 5.697681 0.916428 1.121627 ESP Fit Center 262 is at 5.859795 1.307806 1.121627 ESP Fit Center 263 is at 5.747256 1.727806 0.716443 ESP Fit Center 264 is at 5.682618 2.156652 0.716443 ESP Fit Center 265 is at 5.494447 2.547393 0.716443 ESP Fit Center 266 is at 5.199463 2.865310 0.716443 ESP Fit Center 267 is at 5.494447 0.908219 0.716443 ESP Fit Center 268 is at 5.682618 1.298960 0.716443 ESP Fit Center 269 is at 5.480273 1.727806 0.368503 ESP Fit Center 270 is at 5.400054 2.156939 0.368503 ESP Fit Center 271 is at 5.170232 2.528116 0.368503 ESP Fit Center 272 is at 5.170232 0.927497 0.368503 ESP Fit Center 273 is at 5.400054 1.298673 0.368503 ESP Fit Center 274 is at 5.132334 1.727806 0.101520 ESP Fit Center 275 is at 5.019795 2.147806 0.101520 ESP Fit Center 276 is at 5.019795 1.307806 0.101520 ESP Fit Center 277 is at 2.336892 1.077796 3.485325 ESP Fit Center 278 is at 2.744399 1.077796 3.442494 ESP Fit Center 279 is at 2.540646 1.430707 3.442494 ESP Fit Center 280 is at 2.133139 1.430707 3.442494 ESP Fit Center 281 is at 1.929385 1.077796 3.442494 ESP Fit Center 282 is at 2.133139 0.724885 3.442494 ESP Fit Center 283 is at 2.540646 0.724885 3.442494 ESP Fit Center 284 is at 3.134096 1.077796 3.315874 ESP Fit Center 285 is at 2.336892 1.875000 3.315874 ESP Fit Center 286 is at 1.938290 1.768195 3.315874 ESP Fit Center 287 is at 1.646493 1.476398 3.315874 ESP Fit Center 288 is at 1.539688 1.077796 3.315874 ESP Fit Center 289 is at 1.646493 0.679194 3.315874 ESP Fit Center 290 is at 1.938290 0.387397 3.315874 ESP Fit Center 291 is at 2.336892 0.280592 3.315874 ESP Fit Center 292 is at 2.735494 0.387397 3.315874 ESP Fit Center 293 is at 3.027291 0.679194 3.315874 ESP Fit Center 294 is at 1.642622 1.997159 3.110998 ESP Fit Center 295 is at 1.357392 1.684277 3.110998 ESP Fit Center 296 is at 1.204449 1.289486 3.110998 ESP Fit Center 297 is at 1.204449 0.866106 3.110998 ESP Fit Center 298 is at 1.357392 0.471315 3.110998 ESP Fit Center 299 is at 3.188274 0.301659 3.110998 ESP Fit Center 300 is at 3.411155 0.661624 3.110998 ESP Fit Center 301 is at 1.383046 2.178594 2.836821 ESP Fit Center 302 is at 1.111553 1.865274 2.836821 ESP Fit Center 303 is at 0.939329 1.488158 2.836821 ESP Fit Center 304 is at 0.880328 1.077796 2.836821 ESP Fit Center 305 is at 0.939329 0.667435 2.836821 ESP Fit Center 306 is at 3.562232 0.290318 2.836821 ESP Fit Center 307 is at 3.734455 0.667435 2.836821 ESP Fit Center 308 is at 1.254923 2.385673 2.505325 ESP Fit Center 309 is at 0.963659 2.075509 2.505325 ESP Fit Center 310 is at 0.758681 1.702654 2.505325 ESP Fit Center 311 is at 0.652867 1.290538 2.505325 ESP Fit Center 312 is at 0.652867 0.865054 2.505325 ESP Fit Center 313 is at 1.174663 2.535185 2.130998 ESP Fit Center 314 is at 0.879503 2.240025 2.130998 ESP Fit Center 315 is at 0.657423 1.886586 2.130998 ESP Fit Center 316 is at 0.519558 1.492591 2.130998 ESP Fit Center 317 is at 0.472821 1.077796 2.130998 ESP Fit Center 318 is at 1.242991 2.691180 1.730200 ESP Fit Center 319 is at 0.921736 2.418303 1.730200 ESP Fit Center 320 is at 0.666652 2.082746 1.730200 ESP Fit Center 321 is at 0.489667 1.700199 1.730200 ESP Fit Center 322 is at 0.399056 1.288549 1.730200 ESP Fit Center 323 is at 1.242991 2.691180 1.320449 ESP Fit Center 324 is at 0.921736 2.418303 1.320449 ESP Fit Center 325 is at 0.666652 2.082746 1.320449 ESP Fit Center 326 is at 0.489667 1.700199 1.320449 ESP Fit Center 327 is at 1.174663 2.535185 0.919651 ESP Fit Center 328 is at 0.879503 2.240025 0.919651 ESP Fit Center 329 is at 0.657423 1.886586 0.919651 ESP Fit Center 330 is at 1.254923 2.385673 0.545325 ESP Fit Center 331 is at 2.247862 -0.259519 3.251808 ESP Fit Center 332 is at 2.662641 -0.259519 3.217438 ESP Fit Center 333 is at 2.040473 0.099689 3.217438 ESP Fit Center 334 is at 1.833084 -0.259519 3.217438 ESP Fit Center 335 is at 2.040473 -0.618728 3.217438 ESP Fit Center 336 is at 2.455252 -0.618728 3.217438 ESP Fit Center 337 is at 3.066105 -0.259519 3.115267 ESP Fit Center 338 is at 1.539244 0.149602 3.115267 ESP Fit Center 339 is at 1.429620 -0.259519 3.115267 ESP Fit Center 340 is at 2.656984 -0.968138 3.115267 ESP Fit Center 341 is at 2.956481 -0.668641 3.115267 ESP Fit Center 342 is at 3.447250 -0.259519 2.948082 ESP Fit Center 343 is at 3.374918 0.150695 2.948082 ESP Fit Center 344 is at 1.120807 0.150695 2.948082 ESP Fit Center 345 is at 1.048475 -0.259519 2.948082 ESP Fit Center 346 is at 2.847556 -1.298219 2.948082 ESP Fit Center 347 is at 3.166647 -1.030471 2.948082 ESP Fit Center 348 is at 3.374918 -0.669734 2.948082 ESP Fit Center 349 is at 3.795678 -0.259519 2.720442 ESP Fit Center 350 is at 3.738281 0.158076 2.720442 ESP Fit Center 351 is at 0.828188 0.357132 2.720442 ESP Fit Center 352 is at 0.714463 -0.048758 2.720442 ESP Fit Center 353 is at 3.304329 -1.390719 2.720442 ESP Fit Center 354 is at 3.570347 -1.063740 2.720442 ESP Fit Center 355 is at 3.738281 -0.677115 2.720442 ESP Fit Center 356 is at 4.101887 -0.259519 2.438557 ESP Fit Center 357 is at 4.051911 0.168048 2.438557 ESP Fit Center 358 is at 0.505650 0.374594 2.438557 ESP Fit Center 359 is at 0.406374 -0.044280 2.438557 ESP Fit Center 360 is at 3.355009 -1.746675 2.438557 ESP Fit Center 361 is at 3.668127 -1.451263 2.438557 ESP Fit Center 362 is at 3.904679 -1.091604 2.438557 ESP Fit Center 363 is at 4.051911 -0.687087 2.438557 ESP Fit Center 364 is at 4.357522 -0.259519 2.110117 ESP Fit Center 365 is at 0.403289 0.764303 2.110117 ESP Fit Center 366 is at 0.234953 0.372035 2.110117 ESP Fit Center 367 is at 0.149027 -0.046089 2.110117 ESP Fit Center 368 is at 3.363796 -2.049870 2.110117 ESP Fit Center 369 is at 3.701348 -1.788585 2.110117 ESP Fit Center 370 is at 3.979394 -1.464701 2.110117 ESP Fit Center 371 is at 4.186551 -1.091476 2.110117 ESP Fit Center 372 is at 4.314337 -0.684191 2.110117 ESP Fit Center 373 is at 0.285775 0.955354 1.744080 ESP Fit Center 374 is at 0.095951 0.574136 1.744080 ESP Fit Center 375 is at -0.020593 0.164528 1.744080 ESP Fit Center 376 is at -0.059886 -0.259519 1.744080 ESP Fit Center 377 is at 0.376501 1.310739 1.350431 ESP Fit Center 378 is at 0.132259 0.961925 1.350431 ESP Fit Center 379 is at -0.047702 0.575998 1.350431 ESP Fit Center 380 is at -0.195026 -0.259519 1.350431 ESP Fit Center 381 is at 1.616317 -2.479171 -0.280465 ESP Fit Center 382 is at 2.034930 -2.557424 -0.280465 ESP Fit Center 383 is at 1.719071 -2.301832 -0.646501 ESP Fit Center 384 is at 2.141010 -2.366471 -0.646501 ESP Fit Center 385 is at 0.835683 2.106057 0.487416 ESP Fit Center 386 is at 3.563362 1.092496 -1.087414 ESP Fit Center 387 is at 3.629435 0.695278 -1.512852 ESP Fit Center 388 is at 3.555559 0.276303 -1.925363 ESP Fit Center 389 is at 3.516359 0.699340 -1.925363 ESP Fit Center 390 is at 3.516359 -0.146733 -1.925363 ESP Fit Center 391 is at 3.375074 0.276303 -2.312414 ESP Fit Center 392 is at 3.334305 0.690239 -2.312414 ESP Fit Center 393 is at 3.334305 -0.137632 -2.312414 ESP Fit Center 394 is at 3.130121 0.276303 -2.662244 ESP Fit Center 395 is at 3.083065 0.693933 -2.662244 ESP Fit Center 396 is at 0.083141 1.743652 -2.662244 ESP Fit Center 397 is at -0.214036 1.446475 -2.662244 ESP Fit Center 398 is at -0.437635 1.090620 -2.662244 ESP Fit Center 399 is at -0.437635 -0.538013 -2.662244 ESP Fit Center 400 is at 2.828141 0.276303 -2.964223 ESP Fit Center 401 is at 2.769743 0.701187 -2.964223 ESP Fit Center 402 is at 0.345139 1.562892 -2.964223 ESP Fit Center 403 is at 0.031699 1.270159 -2.964223 ESP Fit Center 404 is at -0.191140 0.903717 -2.964223 ESP Fit Center 405 is at -0.306850 0.490743 -2.964223 ESP Fit Center 406 is at -0.306850 0.061864 -2.964223 ESP Fit Center 407 is at -0.191140 -0.351110 -2.964223 ESP Fit Center 408 is at 2.404435 0.695278 -3.209176 ESP Fit Center 409 is at 0.640812 1.337185 -3.209176 ESP Fit Center 410 is at 0.314907 1.063718 -3.209176 ESP Fit Center 411 is at 0.102188 0.695278 -3.209176 ESP Fit Center 412 is at 0.028312 0.276303 -3.209176 ESP Fit Center 413 is at 0.102188 -0.142671 -3.209176 ESP Fit Center 414 is at 1.978997 0.695278 -3.389661 ESP Fit Center 415 is at 1.672287 1.001989 -3.389661 ESP Fit Center 416 is at 1.253312 1.114253 -3.389661 ESP Fit Center 417 is at 0.834337 1.001989 -3.389661 ESP Fit Center 418 is at 0.527626 0.695278 -3.389661 ESP Fit Center 419 is at 0.415362 0.276303 -3.389661 ESP Fit Center 420 is at 1.466031 0.644744 -3.500193 ESP Fit Center 421 is at 1.040593 0.644744 -3.500193 ESP Fit Center 422 is at 0.827874 0.276303 -3.500193 ESP Fit Center 423 is at 1.559494 -1.353908 3.340949 ESP Fit Center 424 is at 1.967000 -1.353908 3.298119 ESP Fit Center 425 is at 1.763247 -1.000996 3.298119 ESP Fit Center 426 is at 1.355740 -1.000996 3.298119 ESP Fit Center 427 is at 1.151987 -1.353908 3.298119 ESP Fit Center 428 is at 1.355740 -1.706819 3.298119 ESP Fit Center 429 is at 1.763247 -1.706819 3.298119 ESP Fit Center 430 is at 2.356697 -1.353908 3.171499 ESP Fit Center 431 is at 2.249892 -0.955306 3.171499 ESP Fit Center 432 is at 1.559494 -0.556704 3.171499 ESP Fit Center 433 is at 1.160892 -0.663509 3.171499 ESP Fit Center 434 is at 0.869095 -0.955306 3.171499 ESP Fit Center 435 is at 0.762290 -1.353908 3.171499 ESP Fit Center 436 is at 0.869095 -1.752509 3.171499 ESP Fit Center 437 is at 1.160892 -2.044306 3.171499 ESP Fit Center 438 is at 1.559494 -2.151111 3.171499 ESP Fit Center 439 is at 1.958095 -2.044306 3.171499 ESP Fit Center 440 is at 2.249892 -1.752509 3.171499 ESP Fit Center 441 is at 2.711553 -1.353908 2.966623 ESP Fit Center 442 is at 0.865223 -0.434545 2.966623 ESP Fit Center 443 is at 0.579993 -0.747427 2.966623 ESP Fit Center 444 is at 0.427050 -1.142217 2.966623 ESP Fit Center 445 is at 0.427050 -1.565598 2.966623 ESP Fit Center 446 is at 0.579993 -1.960388 2.966623 ESP Fit Center 447 is at 0.865223 -2.273271 2.966623 ESP Fit Center 448 is at 1.244218 -2.461987 2.966623 ESP Fit Center 449 is at 1.665792 -2.501052 2.966623 ESP Fit Center 450 is at 2.073010 -2.385189 2.966623 ESP Fit Center 451 is at 2.410876 -2.130045 2.966623 ESP Fit Center 452 is at 2.633757 -1.770079 2.966623 ESP Fit Center 453 is at 0.605647 -0.253110 2.692445 ESP Fit Center 454 is at 0.334154 -0.566430 2.692445 ESP Fit Center 455 is at 0.161931 -0.943546 2.692445 ESP Fit Center 456 is at 0.102930 -1.353908 2.692445 ESP Fit Center 457 is at 0.161931 -1.764269 2.692445 ESP Fit Center 458 is at 0.334154 -2.141385 2.692445 ESP Fit Center 459 is at 0.605647 -2.454705 2.692445 ESP Fit Center 460 is at 0.954415 -2.678845 2.692445 ESP Fit Center 461 is at 1.352203 -2.795646 2.692445 ESP Fit Center 462 is at 1.766784 -2.795646 2.692445 ESP Fit Center 463 is at 2.164572 -2.678845 2.692445 ESP Fit Center 464 is at 2.513340 -2.454705 2.692445 ESP Fit Center 465 is at 2.784833 -2.141385 2.692445 ESP Fit Center 466 is at 2.957056 -1.764269 2.692445 ESP Fit Center 467 is at 0.186260 -0.356195 2.360949 ESP Fit Center 468 is at -0.018718 -0.729049 2.360949 ESP Fit Center 469 is at -0.124532 -1.141166 2.360949 ESP Fit Center 470 is at -0.124532 -1.566649 2.360949 ESP Fit Center 471 is at -0.018718 -1.978766 2.360949 ESP Fit Center 472 is at 0.186260 -2.351620 2.360949 ESP Fit Center 473 is at 0.477524 -2.661784 2.360949 ESP Fit Center 474 is at 0.836772 -2.889770 2.360949 ESP Fit Center 475 is at 1.241431 -3.021252 2.360949 ESP Fit Center 476 is at 1.666075 -3.047968 2.360949 ESP Fit Center 477 is at 2.084022 -2.968240 2.360949 ESP Fit Center 478 is at 2.469011 -2.787078 2.360949 ESP Fit Center 479 is at 2.796852 -2.515864 2.360949 ESP Fit Center 480 is at 3.046945 -2.171641 2.360949 ESP Fit Center 481 is at -0.119976 -0.545118 1.986623 ESP Fit Center 482 is at -0.257841 -0.939113 1.986623 ESP Fit Center 483 is at -0.304577 -1.353908 1.986623 ESP Fit Center 484 is at -0.257841 -1.768702 1.986623 ESP Fit Center 485 is at -0.119976 -2.162698 1.986623 ESP Fit Center 486 is at 0.102104 -2.516137 1.986623 ESP Fit Center 487 is at 0.397264 -2.811297 1.986623 ESP Fit Center 488 is at 0.750704 -3.033377 1.986623 ESP Fit Center 489 is at 1.144699 -3.171242 1.986623 ESP Fit Center 490 is at 1.559494 -3.217978 1.986623 ESP Fit Center 491 is at 1.974288 -3.171242 1.986623 ESP Fit Center 492 is at 2.368284 -3.033377 1.986623 ESP Fit Center 493 is at 2.721723 -2.811297 1.986623 ESP Fit Center 494 is at 3.016883 -2.516137 1.986623 ESP Fit Center 495 is at -0.287732 -0.731505 1.585825 ESP Fit Center 496 is at -0.378343 -1.143155 1.585825 ESP Fit Center 497 is at -0.378343 -1.564660 1.585825 ESP Fit Center 498 is at -0.287732 -1.976310 1.585825 ESP Fit Center 499 is at -0.110746 -2.358858 1.585825 ESP Fit Center 500 is at 0.144337 -2.694415 1.585825 ESP Fit Center 501 is at 0.465592 -2.967291 1.585825 ESP Fit Center 502 is at 0.837997 -3.164727 1.585825 ESP Fit Center 503 is at 1.244138 -3.277492 1.585825 ESP Fit Center 504 is at 1.665025 -3.300312 1.585825 ESP Fit Center 505 is at 2.080977 -3.232120 1.585825 ESP Fit Center 506 is at 2.472545 -3.076105 1.585825 ESP Fit Center 507 is at -0.378343 -1.564660 1.176074 ESP Fit Center 508 is at -0.287732 -1.976310 1.176074 ESP Fit Center 509 is at -0.110746 -2.358858 1.176074 ESP Fit Center 510 is at 0.144337 -2.694415 1.176074 ESP Fit Center 511 is at 0.465592 -2.967291 1.176074 ESP Fit Center 512 is at 0.837997 -3.164727 1.176074 ESP Fit Center 513 is at 1.244138 -3.277492 1.176074 ESP Fit Center 514 is at 1.665025 -3.300312 1.176074 ESP Fit Center 515 is at 2.080977 -3.232120 1.176074 ESP Fit Center 516 is at -0.119976 -2.162698 0.775276 ESP Fit Center 517 is at 0.102104 -2.516137 0.775276 ESP Fit Center 518 is at 0.397264 -2.811297 0.775276 ESP Fit Center 519 is at 0.750704 -3.033377 0.775276 ESP Fit Center 520 is at 1.144699 -3.171242 0.775276 ESP Fit Center 521 is at 1.559494 -3.217978 0.775276 ESP Fit Center 522 is at 1.974288 -3.171242 0.775276 ESP Fit Center 523 is at 0.477524 -2.661784 0.400949 ESP Fit Center 524 is at 0.836772 -2.889770 0.400949 ESP Fit Center 525 is at 1.241431 -3.021252 0.400949 ESP Fit Center 526 is at 1.666075 -3.047968 0.400949 ESP Fit Center 527 is at 2.084022 -2.968240 0.400949 ESP Fit Center 528 is at 0.605647 -2.454705 0.069453 ESP Fit Center 529 is at 0.954415 -2.678845 0.069453 ESP Fit Center 530 is at 1.352203 -2.795646 0.069453 ESP Fit Center 531 is at 1.766784 -2.795646 0.069453 ESP Fit Center 532 is at 0.865223 -2.273271 -0.204724 ESP Fit Center 533 is at 1.244218 -2.461987 -0.204724 ESP Fit Center 534 is at 4.507409 -0.504129 2.019734 ESP Fit Center 535 is at 4.400604 -0.902731 2.019734 ESP Fit Center 536 is at 4.862264 -0.504129 1.814858 ESP Fit Center 537 is at 4.784468 -0.087958 1.814858 ESP Fit Center 538 is at 4.561587 -1.280267 1.814858 ESP Fit Center 539 is at 4.784468 -0.920301 1.814858 ESP Fit Center 540 is at 5.166769 -0.504129 1.540681 ESP Fit Center 541 is at 5.107768 -0.093768 1.540681 ESP Fit Center 542 is at 5.107768 -0.914491 1.540681 ESP Fit Center 543 is at 5.407615 -0.504129 1.209185 ESP Fit Center 544 is at 5.354288 -0.082001 1.209185 ESP Fit Center 545 is at 5.197657 0.313604 1.209185 ESP Fit Center 546 is at 5.527540 -0.089335 0.834858 ESP Fit Center 547 is at 5.389675 0.304661 0.834858 ESP Fit Center 548 is at 5.613895 -0.085095 0.434060 ESP Fit Center 549 is at 5.479308 0.314345 0.434060 ESP Fit Center 550 is at 5.262000 0.675514 0.434060 ESP Fit Center 551 is at 5.613895 -0.085095 0.024309 ESP Fit Center 552 is at 5.479308 0.314345 0.024309 ESP Fit Center 553 is at 5.262000 0.675514 0.024309 ESP Fit Center 554 is at 4.972131 0.981525 0.024309 ESP Fit Center 555 is at 5.389675 0.304661 -0.376489 ESP Fit Center 556 is at 5.167594 0.658100 -0.376489 ESP Fit Center 557 is at 4.872434 0.953260 -0.376489 ESP Fit Center 558 is at 4.518995 1.175340 -0.376489 ESP Fit Center 559 is at 5.354288 -0.082001 -0.750815 ESP Fit Center 560 is at 5.197657 0.313604 -0.750815 ESP Fit Center 561 is at 4.947564 0.657828 -0.750815 ESP Fit Center 562 is at 4.619723 0.929041 -0.750815 ESP Fit Center 563 is at 4.234734 1.110203 -0.750815 ESP Fit Center 564 is at 3.816786 1.189931 -0.750815 ESP Fit Center 565 is at 4.935545 0.283349 -1.082311 ESP Fit Center 566 is at 4.664052 0.596668 -1.082311 ESP Fit Center 567 is at 4.315284 0.820808 -1.082311 ESP Fit Center 568 is at 3.917496 0.937609 -1.082311 ESP Fit Center 569 is at 4.561587 0.272008 -1.356489 ESP Fit Center 570 is at 4.223722 0.527152 -1.356489 ESP Fit Center 571 is at 3.816504 0.643015 -1.356489 ESP Fit Center 572 is at 4.400604 -0.105527 -1.561364 ESP Fit Center 573 is at 4.108807 0.186269 -1.561364 ESP Fit Center 574 is at 3.710205 0.293074 -1.561364 ESP Fit Center 575 is at 3.913959 -0.151218 -1.687985 ESP Fit Center 576 is at 4.174723 -1.769296 1.833525 ESP Fit Center 577 is at 4.584413 -1.769296 1.793174 ESP Fit Center 578 is at 4.978359 -1.769296 1.673672 ESP Fit Center 579 is at 4.870692 -1.367478 1.673672 ESP Fit Center 580 is at 4.870692 -2.171113 1.673672 ESP Fit Center 581 is at 5.341421 -1.769296 1.479611 ESP Fit Center 582 is at 5.262636 -1.347836 1.479611 ESP Fit Center 583 is at 5.262636 -2.190755 1.479611 ESP Fit Center 584 is at 5.423921 -2.572106 1.218449 ESP Fit Center 585 is at 5.481688 -2.927165 0.900223 ESP Fit Center 586 is at 5.430748 -3.248002 0.537160 ESP Fit Center 587 is at 5.264204 -3.517205 0.143215 ESP Fit Center 588 is at 4.978359 -3.709443 -0.266475 ESP Fit Center 589 is at 5.341421 -3.515382 -0.266475 ESP Fit Center 590 is at 2.209531 -2.385879 -0.676164 ESP Fit Center 591 is at 2.373876 -2.768847 -0.676164 ESP Fit Center 592 is at 2.611948 -3.110894 -0.676164 ESP Fit Center 593 is at 4.486611 -3.805193 -0.676164 ESP Fit Center 594 is at 4.890050 -3.700736 -0.676164 ESP Fit Center 595 is at 5.264204 -3.517205 -0.676164 ESP Fit Center 596 is at 3.456601 -3.571647 -1.070110 ESP Fit Center 597 is at 3.860842 -3.683884 -1.070110 ESP Fit Center 598 is at 4.279761 -3.706597 -1.070110 ESP Fit Center 599 is at 4.693768 -3.638724 -1.070110 ESP Fit Center 600 is at 5.083505 -3.483439 -1.070110 ESP Fit Center 601 is at 5.430748 -3.248002 -1.070110 ESP Fit Center 602 is at 5.166613 -0.332295 -1.433172 ESP Fit Center 603 is at 4.793894 -0.136677 -1.433172 ESP Fit Center 604 is at 4.385191 -3.502651 -1.433172 ESP Fit Center 605 is at 4.793894 -3.401915 -1.433172 ESP Fit Center 606 is at 5.166613 -3.206296 -1.433172 ESP Fit Center 607 is at 5.481688 -2.927165 -1.433172 ESP Fit Center 608 is at 5.423921 -0.966485 -1.751399 ESP Fit Center 609 is at 5.147142 -0.647065 -1.751399 ESP Fit Center 610 is at 4.791583 -0.418561 -1.751399 ESP Fit Center 611 is at 4.386050 -0.299486 -1.751399 ESP Fit Center 612 is at 3.963397 -0.299486 -1.751399 ESP Fit Center 613 is at 5.147142 -2.891526 -1.751399 ESP Fit Center 614 is at 5.423921 -2.572106 -1.751399 ESP Fit Center 615 is at 5.341421 -1.769296 -2.012561 ESP Fit Center 616 is at 5.262636 -1.347836 -2.012561 ESP Fit Center 617 is at 5.036923 -0.983297 -2.012561 ESP Fit Center 618 is at 2.252380 -2.528261 -1.272306 ESP Fit Center 619 is at 2.455255 -2.897291 -1.272306 ESP Fit Center 620 is at 2.743532 -3.204274 -1.272306 ESP Fit Center 621 is at 3.099095 -3.429921 -1.272306 ESP Fit Center 622 is at 3.499603 -3.560054 -1.272306 ESP Fit Center 623 is at 2.409057 -2.721189 -1.707122 ESP Fit Center 624 is at 2.666943 -3.057273 -1.707122 ESP Fit Center 625 is at 3.003026 -3.315159 -1.707122 ESP Fit Center 626 is at 3.394404 -3.477273 -1.707122 ESP Fit Center 627 is at 3.814404 -3.532567 -1.707122 ESP Fit Center 628 is at 4.234404 -3.477273 -1.707122 ESP Fit Center 629 is at 4.625782 -3.315159 -1.707122 ESP Fit Center 630 is at 5.269327 -1.909812 -2.112306 ESP Fit Center 631 is at 5.204689 -1.480966 -2.112306 ESP Fit Center 632 is at 5.016518 -1.090224 -2.112306 ESP Fit Center 633 is at 4.721533 -0.772307 -2.112306 ESP Fit Center 634 is at 4.345947 -0.555462 -2.112306 ESP Fit Center 635 is at 3.923131 -0.458957 -2.112306 ESP Fit Center 636 is at 3.490653 -0.491367 -2.112306 ESP Fit Center 637 is at 2.503564 -2.541079 -2.112306 ESP Fit Center 638 is at 2.747870 -2.899410 -2.112306 ESP Fit Center 639 is at 3.086943 -3.169812 -2.112306 ESP Fit Center 640 is at 3.490653 -3.328256 -2.112306 ESP Fit Center 641 is at 3.923131 -3.360666 -2.112306 ESP Fit Center 642 is at 4.345947 -3.264161 -2.112306 ESP Fit Center 643 is at 4.721533 -3.047316 -2.112306 ESP Fit Center 644 is at 5.016518 -2.729399 -2.112306 ESP Fit Center 645 is at 5.204689 -2.338658 -2.112306 ESP Fit Center 646 is at 5.002343 -1.909812 -2.460245 ESP Fit Center 647 is at 4.922125 -1.480678 -2.460245 ESP Fit Center 648 is at 4.692302 -1.109502 -2.460245 ESP Fit Center 649 is at 4.343914 -0.846412 -2.460245 ESP Fit Center 650 is at 3.924013 -0.726940 -2.460245 ESP Fit Center 651 is at 3.489309 -0.767221 -2.460245 ESP Fit Center 652 is at 2.804398 -2.535181 -2.460245 ESP Fit Center 653 is at 3.098511 -2.857808 -2.460245 ESP Fit Center 654 is at 3.489309 -3.052402 -2.460245 ESP Fit Center 655 is at 3.924013 -3.092683 -2.460245 ESP Fit Center 656 is at 4.343914 -2.973211 -2.460245 ESP Fit Center 657 is at 4.692302 -2.710121 -2.460245 ESP Fit Center 658 is at 4.922125 -2.338945 -2.460245 ESP Fit Center 659 is at 4.654404 -1.909812 -2.727229 ESP Fit Center 660 is at 4.541865 -1.489812 -2.727229 ESP Fit Center 661 is at 4.234404 -1.182350 -2.727229 ESP Fit Center 662 is at 3.814404 -1.069812 -2.727229 ESP Fit Center 663 is at 3.394404 -1.182350 -2.727229 ESP Fit Center 664 is at 2.974404 -1.909812 -2.727229 ESP Fit Center 665 is at 3.086943 -2.329812 -2.727229 ESP Fit Center 666 is at 3.394404 -2.637273 -2.727229 ESP Fit Center 667 is at 3.814404 -2.749812 -2.727229 ESP Fit Center 668 is at 4.234404 -2.637273 -2.727229 ESP Fit Center 669 is at 4.541865 -2.329812 -2.727229 ESP Fit Center 670 is at 4.249220 -1.909812 -2.895061 ESP Fit Center 671 is at 4.031812 -1.533250 -2.895061 ESP Fit Center 672 is at 3.596996 -1.533250 -2.895061 ESP Fit Center 673 is at 3.379588 -1.909812 -2.895061 ESP Fit Center 674 is at 3.596996 -2.286373 -2.895061 ESP Fit Center 675 is at 4.031812 -2.286373 -2.895061 ESP Fit Center 676 is at 3.814404 -1.909812 -2.952306 ESP Fit Center 677 is at 5.685719 -1.714176 1.371948 ESP Fit Center 678 is at 5.468311 -1.337614 1.371948 ESP Fit Center 679 is at 5.468311 -2.090738 1.371948 ESP Fit Center 680 is at 6.090903 -1.714176 1.204115 ESP Fit Center 681 is at 5.978364 -1.294176 1.204115 ESP Fit Center 682 is at 5.670903 -0.986715 1.204115 ESP Fit Center 683 is at 5.670903 -2.441637 1.204115 ESP Fit Center 684 is at 5.978364 -2.134176 1.204115 ESP Fit Center 685 is at 6.438842 -1.714176 0.937132 ESP Fit Center 686 is at 6.358623 -1.285043 0.937132 ESP Fit Center 687 is at 6.128801 -0.913866 0.937132 ESP Fit Center 688 is at 5.780413 -0.650776 0.937132 ESP Fit Center 689 is at 5.780413 -2.777576 0.937132 ESP Fit Center 690 is at 6.128801 -2.514485 0.937132 ESP Fit Center 691 is at 6.358623 -2.143309 0.937132 ESP Fit Center 692 is at 6.705825 -1.714176 0.589193 ESP Fit Center 693 is at 6.641187 -1.285330 0.589193 ESP Fit Center 694 is at 6.453016 -0.894589 0.589193 ESP Fit Center 695 is at 6.158032 -0.576672 0.589193 ESP Fit Center 696 is at 5.782446 -0.359827 0.589193 ESP Fit Center 697 is at 5.782446 -3.068525 0.589193 ESP Fit Center 698 is at 6.158032 -2.851680 0.589193 ESP Fit Center 699 is at 6.453016 -2.533763 0.589193 ESP Fit Center 700 is at 6.641187 -2.143022 0.589193 ESP Fit Center 701 is at 6.873658 -1.714176 0.184009 ESP Fit Center 702 is at 6.818364 -1.294176 0.184009 ESP Fit Center 703 is at 6.656250 -0.902798 0.184009 ESP Fit Center 704 is at 6.398364 -0.566715 0.184009 ESP Fit Center 705 is at 6.062280 -0.308828 0.184009 ESP Fit Center 706 is at 5.670903 -0.146715 0.184009 ESP Fit Center 707 is at 5.670903 -3.281637 0.184009 ESP Fit Center 708 is at 6.062280 -3.119523 0.184009 ESP Fit Center 709 is at 6.398364 -2.861637 0.184009 ESP Fit Center 710 is at 6.656250 -2.525554 0.184009 ESP Fit Center 711 is at 6.818364 -2.134176 0.184009 ESP Fit Center 712 is at 6.930903 -1.714176 -0.250807 ESP Fit Center 713 is at 6.878122 -1.296377 -0.250807 ESP Fit Center 714 is at 6.723098 -0.904830 -0.250807 ESP Fit Center 715 is at 6.475570 -0.564137 -0.250807 ESP Fit Center 716 is at 6.151092 -0.295705 -0.250807 ESP Fit Center 717 is at 5.770051 -0.116401 -0.250807 ESP Fit Center 718 is at 5.770051 -3.311951 -0.250807 ESP Fit Center 719 is at 6.151092 -3.132647 -0.250807 ESP Fit Center 720 is at 6.475570 -2.864215 -0.250807 ESP Fit Center 721 is at 6.723098 -2.523522 -0.250807 ESP Fit Center 722 is at 6.878122 -2.131975 -0.250807 ESP Fit Center 723 is at 6.873658 -1.714176 -0.685623 ESP Fit Center 724 is at 6.818364 -1.294176 -0.685623 ESP Fit Center 725 is at 6.656250 -0.902798 -0.685623 ESP Fit Center 726 is at 6.398364 -0.566715 -0.685623 ESP Fit Center 727 is at 6.062280 -0.308828 -0.685623 ESP Fit Center 728 is at 5.670903 -0.146715 -0.685623 ESP Fit Center 729 is at 5.670903 -3.281637 -0.685623 ESP Fit Center 730 is at 6.062280 -3.119523 -0.685623 ESP Fit Center 731 is at 6.398364 -2.861637 -0.685623 ESP Fit Center 732 is at 6.656250 -2.525554 -0.685623 ESP Fit Center 733 is at 6.818364 -2.134176 -0.685623 ESP Fit Center 734 is at 6.705825 -1.714176 -1.090807 ESP Fit Center 735 is at 6.641187 -1.285330 -1.090807 ESP Fit Center 736 is at 6.453016 -0.894589 -1.090807 ESP Fit Center 737 is at 6.158032 -0.576672 -1.090807 ESP Fit Center 738 is at 5.782446 -0.359827 -1.090807 ESP Fit Center 739 is at 5.782446 -3.068525 -1.090807 ESP Fit Center 740 is at 6.158032 -2.851680 -1.090807 ESP Fit Center 741 is at 6.453016 -2.533763 -1.090807 ESP Fit Center 742 is at 6.641187 -2.143022 -1.090807 ESP Fit Center 743 is at 6.438842 -1.714176 -1.438747 ESP Fit Center 744 is at 6.358623 -1.285043 -1.438747 ESP Fit Center 745 is at 6.128801 -0.913866 -1.438747 ESP Fit Center 746 is at 5.780413 -0.650776 -1.438747 ESP Fit Center 747 is at 5.780413 -2.777576 -1.438747 ESP Fit Center 748 is at 6.128801 -2.514485 -1.438747 ESP Fit Center 749 is at 6.358623 -2.143309 -1.438747 ESP Fit Center 750 is at 6.090903 -1.714176 -1.705730 ESP Fit Center 751 is at 5.978364 -1.294176 -1.705730 ESP Fit Center 752 is at 5.670903 -0.986715 -1.705730 ESP Fit Center 753 is at 5.670903 -2.441637 -1.705730 ESP Fit Center 754 is at 5.978364 -2.134176 -1.705730 ESP Fit Center 755 is at 5.685719 -1.714176 -1.873563 ESP Fit Center 756 is at 5.468311 -1.337614 -1.873563 ESP Fit Center 757 is at 3.827948 -2.562245 2.057719 ESP Fit Center 758 is at 4.262764 -2.562245 2.000475 ESP Fit Center 759 is at 4.045356 -2.185683 2.000475 ESP Fit Center 760 is at 3.610540 -2.185683 2.000475 ESP Fit Center 761 is at 3.393132 -2.562245 2.000475 ESP Fit Center 762 is at 3.610540 -2.938807 2.000475 ESP Fit Center 763 is at 4.045356 -2.938807 2.000475 ESP Fit Center 764 is at 4.667948 -2.562245 1.832642 ESP Fit Center 765 is at 4.555409 -2.142245 1.832642 ESP Fit Center 766 is at 4.247948 -1.834784 1.832642 ESP Fit Center 767 is at 3.100487 -2.982245 1.832642 ESP Fit Center 768 is at 3.407948 -3.289706 1.832642 ESP Fit Center 769 is at 3.827948 -3.402245 1.832642 ESP Fit Center 770 is at 4.247948 -3.289706 1.832642 ESP Fit Center 771 is at 4.555409 -2.982245 1.832642 ESP Fit Center 772 is at 5.015887 -2.562245 1.565659 ESP Fit Center 773 is at 2.817941 -3.187615 1.565659 ESP Fit Center 774 is at 3.112054 -3.510241 1.565659 ESP Fit Center 775 is at 3.502853 -3.704836 1.565659 ESP Fit Center 776 is at 3.937557 -3.745117 1.565659 ESP Fit Center 777 is at 4.357458 -3.625645 1.565659 ESP Fit Center 778 is at 4.705846 -3.362555 1.565659 ESP Fit Center 779 is at 4.935668 -2.991378 1.565659 ESP Fit Center 780 is at 2.517108 -3.193512 1.217719 ESP Fit Center 781 is at 2.761414 -3.551844 1.217719 ESP Fit Center 782 is at 3.100487 -3.822245 1.217719 ESP Fit Center 783 is at 3.504197 -3.980690 1.217719 ESP Fit Center 784 is at 3.936674 -4.013100 1.217719 ESP Fit Center 785 is at 4.359491 -3.916594 1.217719 ESP Fit Center 786 is at 4.735077 -3.699749 1.217719 ESP Fit Center 787 is at 5.030061 -3.381832 1.217719 ESP Fit Center 788 is at 5.218232 -2.991091 1.217719 ESP Fit Center 789 is at 2.422600 -3.373623 0.812535 ESP Fit Center 790 is at 2.680487 -3.709706 0.812535 ESP Fit Center 791 is at 3.016570 -3.967593 0.812535 ESP Fit Center 792 is at 3.407948 -4.129706 0.812535 ESP Fit Center 793 is at 3.827948 -4.185001 0.812535 ESP Fit Center 794 is at 4.247948 -4.129706 0.812535 ESP Fit Center 795 is at 4.639326 -3.967593 0.812535 ESP Fit Center 796 is at 4.975409 -3.709706 0.812535 ESP Fit Center 797 is at 5.233295 -3.373623 0.812535 ESP Fit Center 798 is at 2.265923 -3.180694 0.377719 ESP Fit Center 799 is at 2.468799 -3.549724 0.377719 ESP Fit Center 800 is at 2.757076 -3.856707 0.377719 ESP Fit Center 801 is at 3.112639 -4.082355 0.377719 ESP Fit Center 802 is at 3.513147 -4.212488 0.377719 ESP Fit Center 803 is at 3.933436 -4.238930 0.377719 ESP Fit Center 804 is at 4.347096 -4.160020 0.377719 ESP Fit Center 805 is at 4.728137 -3.980716 0.377719 ESP Fit Center 806 is at 5.052615 -3.712284 0.377719 ESP Fit Center 807 is at 2.260487 -2.982245 -0.057097 ESP Fit Center 808 is at 2.422600 -3.373623 -0.057097 ESP Fit Center 809 is at 2.680487 -3.709706 -0.057097 ESP Fit Center 810 is at 3.016570 -3.967593 -0.057097 ESP Fit Center 811 is at 3.407948 -4.129706 -0.057097 ESP Fit Center 812 is at 3.827948 -4.185001 -0.057097 ESP Fit Center 813 is at 4.247948 -4.129706 -0.057097 ESP Fit Center 814 is at 4.639326 -3.967593 -0.057097 ESP Fit Center 815 is at 4.975409 -3.709706 -0.057097 ESP Fit Center 816 is at 2.517108 -3.193512 -0.462281 ESP Fit Center 817 is at 2.761414 -3.551844 -0.462281 ESP Fit Center 818 is at 3.100487 -3.822245 -0.462281 ESP Fit Center 819 is at 3.504197 -3.980690 -0.462281 ESP Fit Center 820 is at 3.936674 -4.013100 -0.462281 ESP Fit Center 821 is at 4.359491 -3.916594 -0.462281 ESP Fit Center 822 is at 3.112054 -3.510241 -0.810220 ESP Fit Center 823 is at 3.502853 -3.704836 -0.810220 ESP Fit Center 824 is at 1.292892 2.294376 0.346982 ESP Fit Center 825 is at 1.376218 2.712057 0.142106 ESP Fit Center 826 is at 1.484203 3.045715 -0.132071 ESP Fit Center 827 is at 1.086415 2.928914 -0.132071 ESP Fit Center 828 is at 1.798075 3.298038 -0.463567 ESP Fit Center 829 is at 1.373431 3.271321 -0.463567 ESP Fit Center 830 is at 2.106289 3.421312 -0.837894 ESP Fit Center 831 is at 1.691494 3.468048 -0.837894 ESP Fit Center 832 is at 1.276699 3.421312 -0.837894 ESP Fit Center 833 is at 3.640757 1.603977 -1.238691 ESP Fit Center 834 is at 3.595184 2.023011 -1.238691 ESP Fit Center 835 is at 2.953420 3.089632 -1.238691 ESP Fit Center 836 is at 2.604545 3.326175 -1.238691 ESP Fit Center 837 is at 2.212977 3.482190 -1.238691 ESP Fit Center 838 is at 1.797025 3.550381 -1.238691 ESP Fit Center 839 is at 1.376138 3.527562 -1.238691 ESP Fit Center 840 is at 0.969997 3.414797 -1.238691 ESP Fit Center 841 is at 3.595184 1.184943 -1.238691 ESP Fit Center 842 is at 3.640757 1.603977 -1.648443 ESP Fit Center 843 is at 3.595184 2.023011 -1.648443 ESP Fit Center 844 is at 3.460597 2.422452 -1.648443 ESP Fit Center 845 is at 3.243288 2.783621 -1.648443 ESP Fit Center 846 is at 2.953420 3.089632 -1.648443 ESP Fit Center 847 is at 2.604545 3.326175 -1.648443 ESP Fit Center 848 is at 2.212977 3.482190 -1.648443 ESP Fit Center 849 is at 1.797025 3.550381 -1.648443 ESP Fit Center 850 is at 1.376138 3.527562 -1.648443 ESP Fit Center 851 is at 0.969997 3.414797 -1.648443 ESP Fit Center 852 is at 0.597593 3.217361 -1.648443 ESP Fit Center 853 is at 3.595184 1.184943 -1.648443 ESP Fit Center 854 is at 3.555565 1.603977 -2.049240 ESP Fit Center 855 is at 3.508828 2.018772 -2.049240 ESP Fit Center 856 is at 3.370964 2.412767 -2.049240 ESP Fit Center 857 is at 3.148883 2.766206 -2.049240 ESP Fit Center 858 is at 2.853723 3.061366 -2.049240 ESP Fit Center 859 is at 2.500284 3.283447 -2.049240 ESP Fit Center 860 is at 2.106289 3.421312 -2.049240 ESP Fit Center 861 is at 1.691494 3.468048 -2.049240 ESP Fit Center 862 is at 1.276699 3.421312 -2.049240 ESP Fit Center 863 is at 0.882704 3.283447 -2.049240 ESP Fit Center 864 is at 0.529265 3.061366 -2.049240 ESP Fit Center 865 is at 0.234105 2.766206 -2.049240 ESP Fit Center 866 is at 3.508828 1.189183 -2.049240 ESP Fit Center 867 is at 3.388904 1.603977 -2.423567 ESP Fit Center 868 is at 3.335576 2.026106 -2.423567 ESP Fit Center 869 is at 3.178945 2.421711 -2.423567 ESP Fit Center 870 is at 2.928852 2.765934 -2.423567 ESP Fit Center 871 is at 2.601011 3.037148 -2.423567 ESP Fit Center 872 is at 2.216022 3.218310 -2.423567 ESP Fit Center 873 is at 1.798075 3.298038 -2.423567 ESP Fit Center 874 is at 1.373431 3.271321 -2.423567 ESP Fit Center 875 is at 0.968772 3.139840 -2.423567 ESP Fit Center 876 is at 0.609524 2.911854 -2.423567 ESP Fit Center 877 is at 0.318260 2.601690 -2.423567 ESP Fit Center 878 is at 0.113282 2.228835 -2.423567 ESP Fit Center 879 is at 3.335576 1.181849 -2.423567 ESP Fit Center 880 is at 3.148058 1.603977 -2.755063 ESP Fit Center 881 is at 3.089057 2.014339 -2.755063 ESP Fit Center 882 is at 2.916833 2.391455 -2.755063 ESP Fit Center 883 is at 2.645340 2.704775 -2.755063 ESP Fit Center 884 is at 2.296572 2.928914 -2.755063 ESP Fit Center 885 is at 1.898784 3.045715 -2.755063 ESP Fit Center 886 is at 1.484203 3.045715 -2.755063 ESP Fit Center 887 is at 1.086415 2.928914 -2.755063 ESP Fit Center 888 is at 0.737647 2.704775 -2.755063 ESP Fit Center 889 is at 0.466154 2.391455 -2.755063 ESP Fit Center 890 is at 0.293931 2.014339 -2.755063 ESP Fit Center 891 is at 3.089057 1.193616 -2.755063 ESP Fit Center 892 is at 2.843553 1.603977 -3.029240 ESP Fit Center 893 is at 2.765757 2.020149 -3.029240 ESP Fit Center 894 is at 2.542876 2.380114 -3.029240 ESP Fit Center 895 is at 2.205011 2.635258 -3.029240 ESP Fit Center 896 is at 1.797792 2.751122 -3.029240 ESP Fit Center 897 is at 1.376218 2.712057 -3.029240 ESP Fit Center 898 is at 0.997223 2.523340 -3.029240 ESP Fit Center 899 is at 0.711993 2.210458 -3.029240 ESP Fit Center 900 is at 0.559051 1.815668 -3.029240 ESP Fit Center 901 is at 2.765757 1.187806 -3.029240 ESP Fit Center 902 is at 2.488698 1.603977 -3.234116 ESP Fit Center 903 is at 2.381893 2.002579 -3.234116 ESP Fit Center 904 is at 2.090096 2.294376 -3.234116 ESP Fit Center 905 is at 1.691494 2.401181 -3.234116 ESP Fit Center 906 is at 1.292892 2.294376 -3.234116 ESP Fit Center 907 is at 1.001095 2.002579 -3.234116 ESP Fit Center 908 is at 0.894290 1.603977 -3.234116 ESP Fit Center 909 is at 2.381893 1.205375 -3.234116 ESP Fit Center 910 is at 2.099001 1.603977 -3.360736 ESP Fit Center 911 is at 1.895247 1.956889 -3.360736 ESP Fit Center 912 is at 1.487740 1.956889 -3.360736 ESP Fit Center 913 is at 1.283987 1.603977 -3.360736 ESP Fit Center 914 is at 1.487740 1.251066 -3.360736 ESP Fit Center 915 is at 1.895247 1.251066 -3.360736 ESP Fit Center 916 is at 1.691494 1.603977 -3.403567 ESP Fit Center 917 is at -0.456673 0.342612 1.401923 ESP Fit Center 918 is at -0.251828 0.697414 1.361572 ESP Fit Center 919 is at -0.866362 0.342612 1.361572 ESP Fit Center 920 is at -0.661517 -0.012189 1.361572 ESP Fit Center 921 is at -0.251828 -0.012189 1.361572 ESP Fit Center 922 is at -1.448619 0.956799 -2.444164 ESP Fit Center 923 is at -1.603505 0.556992 -2.444164 ESP Fit Center 924 is at -1.603505 0.128232 -2.444164 ESP Fit Center 925 is at -0.456673 1.146247 -2.638224 ESP Fit Center 926 is at -0.858490 1.038581 -2.638224 ESP Fit Center 927 is at -1.152641 0.744430 -2.638224 ESP Fit Center 928 is at -1.260308 0.342612 -2.638224 ESP Fit Center 929 is at -1.152641 -0.059205 -2.638224 ESP Fit Center 930 is at -0.858490 -0.353356 -2.638224 ESP Fit Center 931 is at -0.661517 0.697414 -2.757726 ESP Fit Center 932 is at -0.866362 0.342612 -2.757726 ESP Fit Center 933 is at -0.661517 -0.012189 -2.757726 ESP Fit Center 934 is at 1.284244 -2.273106 -0.667330 ESP Fit Center 935 is at 1.173472 -2.498712 -0.998826 ESP Fit Center 936 is at 1.598116 -2.525428 -0.998826 ESP Fit Center 937 is at 2.016063 -2.445700 -0.998826 ESP Fit Center 938 is at 1.076740 -2.648702 -1.373153 ESP Fit Center 939 is at 1.491535 -2.695439 -1.373153 ESP Fit Center 940 is at 1.906330 -2.648702 -1.373153 ESP Fit Center 941 is at 0.770038 -2.642188 -1.773951 ESP Fit Center 942 is at 1.176179 -2.754952 -1.773951 ESP Fit Center 943 is at 1.597066 -2.777772 -1.773951 ESP Fit Center 944 is at 2.013018 -2.709580 -1.773951 ESP Fit Center 945 is at 3.395225 -0.412334 -2.183702 ESP Fit Center 946 is at 0.397634 -2.444751 -2.183702 ESP Fit Center 947 is at 0.770038 -2.642188 -2.183702 ESP Fit Center 948 is at 1.176179 -2.754952 -2.183702 ESP Fit Center 949 is at 1.597066 -2.777772 -2.183702 ESP Fit Center 950 is at 2.013018 -2.709580 -2.183702 ESP Fit Center 951 is at 2.404586 -2.553565 -2.183702 ESP Fit Center 952 is at 3.355606 -0.831368 -2.584500 ESP Fit Center 953 is at 3.308870 -0.416573 -2.584500 ESP Fit Center 954 is at 3.171005 -0.022578 -2.584500 ESP Fit Center 955 is at -0.372536 -0.831368 -2.584500 ESP Fit Center 956 is at -0.325800 -1.246163 -2.584500 ESP Fit Center 957 is at -0.187935 -1.640158 -2.584500 ESP Fit Center 958 is at 0.034146 -1.993597 -2.584500 ESP Fit Center 959 is at 0.329306 -2.288757 -2.584500 ESP Fit Center 960 is at 0.682745 -2.510837 -2.584500 ESP Fit Center 961 is at 1.076740 -2.648702 -2.584500 ESP Fit Center 962 is at 1.491535 -2.695439 -2.584500 ESP Fit Center 963 is at 1.906330 -2.648702 -2.584500 ESP Fit Center 964 is at 2.300325 -2.510837 -2.584500 ESP Fit Center 965 is at 2.653764 -2.288757 -2.584500 ESP Fit Center 966 is at 3.188945 -0.831368 -2.958826 ESP Fit Center 967 is at 3.135617 -0.409239 -2.958826 ESP Fit Center 968 is at 2.978986 -0.013634 -2.958826 ESP Fit Center 969 is at -0.192490 -0.618626 -2.958826 ESP Fit Center 970 is at -0.192490 -1.044110 -2.958826 ESP Fit Center 971 is at -0.086677 -1.456226 -2.958826 ESP Fit Center 972 is at 0.118302 -1.829080 -2.958826 ESP Fit Center 973 is at 0.409565 -2.139244 -2.958826 ESP Fit Center 974 is at 0.768813 -2.367230 -2.958826 ESP Fit Center 975 is at 1.173472 -2.498712 -2.958826 ESP Fit Center 976 is at 1.598116 -2.525428 -2.958826 ESP Fit Center 977 is at 2.016063 -2.445700 -2.958826 ESP Fit Center 978 is at 2.401053 -2.264538 -2.958826 ESP Fit Center 979 is at 2.728893 -1.993325 -2.958826 ESP Fit Center 980 is at 2.978986 -1.649101 -2.958826 ESP Fit Center 981 is at 3.135617 -1.253496 -2.958826 ESP Fit Center 982 is at 2.948099 -0.831368 -3.290322 ESP Fit Center 983 is at 2.889098 -0.421006 -3.290322 ESP Fit Center 984 is at 2.716874 -0.043890 -3.290322 ESP Fit Center 985 is at 2.445381 0.269430 -3.290322 ESP Fit Center 986 is at 0.093972 -0.421006 -3.290322 ESP Fit Center 987 is at 0.034971 -0.831368 -3.290322 ESP Fit Center 988 is at 0.093972 -1.241729 -3.290322 ESP Fit Center 989 is at 0.266195 -1.618846 -3.290322 ESP Fit Center 990 is at 0.537688 -1.932165 -3.290322 ESP Fit Center 991 is at 0.886456 -2.156305 -3.290322 ESP Fit Center 992 is at 1.284244 -2.273106 -3.290322 ESP Fit Center 993 is at 1.698826 -2.273106 -3.290322 ESP Fit Center 994 is at 2.096613 -2.156305 -3.290322 ESP Fit Center 995 is at 2.445381 -1.932165 -3.290322 ESP Fit Center 996 is at 2.716874 -1.618846 -3.290322 ESP Fit Center 997 is at 2.889098 -1.241729 -3.290322 ESP Fit Center 998 is at 2.643594 -0.831368 -3.564500 ESP Fit Center 999 is at 2.565798 -0.415196 -3.564500 ESP Fit Center 1000 is at 2.342917 -0.055231 -3.564500 ESP Fit Center 1001 is at 2.005052 0.199913 -3.564500 ESP Fit Center 1002 is at 1.597834 0.315777 -3.564500 ESP Fit Center 1003 is at 1.176259 0.276712 -3.564500 ESP Fit Center 1004 is at 0.797264 0.087995 -3.564500 ESP Fit Center 1005 is at 0.512035 -0.224887 -3.564500 ESP Fit Center 1006 is at 0.359092 -0.619677 -3.564500 ESP Fit Center 1007 is at 0.359092 -1.043058 -3.564500 ESP Fit Center 1008 is at 0.512035 -1.437849 -3.564500 ESP Fit Center 1009 is at 0.797264 -1.750731 -3.564500 ESP Fit Center 1010 is at 1.176259 -1.939448 -3.564500 ESP Fit Center 1011 is at 1.597834 -1.978512 -3.564500 ESP Fit Center 1012 is at 2.005052 -1.862649 -3.564500 ESP Fit Center 1013 is at 2.342917 -1.607505 -3.564500 ESP Fit Center 1014 is at 2.565798 -1.247539 -3.564500 ESP Fit Center 1015 is at 2.288739 -0.831368 -3.769376 ESP Fit Center 1016 is at 2.181934 -0.432766 -3.769376 ESP Fit Center 1017 is at 1.890137 -0.140969 -3.769376 ESP Fit Center 1018 is at 1.491535 -0.034164 -3.769376 ESP Fit Center 1019 is at 1.092933 -0.140969 -3.769376 ESP Fit Center 1020 is at 0.801136 -0.432766 -3.769376 ESP Fit Center 1021 is at 0.694331 -0.831368 -3.769376 ESP Fit Center 1022 is at 0.801136 -1.229970 -3.769376 ESP Fit Center 1023 is at 1.092933 -1.521766 -3.769376 ESP Fit Center 1024 is at 1.491535 -1.628572 -3.769376 ESP Fit Center 1025 is at 1.890137 -1.521766 -3.769376 ESP Fit Center 1026 is at 2.181934 -1.229970 -3.769376 ESP Fit Center 1027 is at 1.899042 -0.831368 -3.895996 ESP Fit Center 1028 is at 1.695288 -0.478456 -3.895996 ESP Fit Center 1029 is at 1.287781 -0.478456 -3.895996 ESP Fit Center 1030 is at 1.084028 -0.831368 -3.895996 ESP Fit Center 1031 is at 1.287781 -1.184279 -3.895996 ESP Fit Center 1032 is at 1.695288 -1.184279 -3.895996 ESP Fit Center 1033 is at 1.491535 -0.831368 -3.938826 ESP Fit Center 1034 is at -1.055613 1.560546 1.645630 ESP Fit Center 1035 is at -0.645924 1.560546 1.605279 ESP Fit Center 1036 is at -0.850769 1.915348 1.605279 ESP Fit Center 1037 is at -1.260458 1.915348 1.605279 ESP Fit Center 1038 is at -1.260458 1.205745 1.605279 ESP Fit Center 1039 is at -0.850769 1.205745 1.605279 ESP Fit Center 1040 is at -0.251978 1.560546 1.485777 ESP Fit Center 1041 is at -0.359645 1.962364 1.485777 ESP Fit Center 1042 is at -0.653796 2.256515 1.485777 ESP Fit Center 1043 is at -1.055613 2.364182 1.485777 ESP Fit Center 1044 is at -1.055613 0.756911 1.485777 ESP Fit Center 1045 is at -0.653796 0.864578 1.485777 ESP Fit Center 1046 is at -0.359645 1.158729 1.485777 ESP Fit Center 1047 is at 0.111084 1.560546 1.291716 ESP Fit Center 1048 is at 0.032300 1.982006 1.291716 ESP Fit Center 1049 is at -0.193414 2.346545 1.291716 ESP Fit Center 1050 is at -0.535572 2.604931 1.291716 ESP Fit Center 1051 is at -0.947964 2.722267 1.291716 ESP Fit Center 1052 is at -1.374895 0.438387 1.291716 ESP Fit Center 1053 is at 0.032300 1.139087 1.291716 ESP Fit Center 1054 is at 0.429311 1.560546 1.030554 ESP Fit Center 1055 is at 0.369161 1.978898 1.030554 ESP Fit Center 1056 is at 0.193584 2.363357 1.030554 ESP Fit Center 1057 is at -0.844287 3.030356 1.030554 ESP Fit Center 1058 is at -1.266940 3.030356 1.030554 ESP Fit Center 1059 is at 0.639735 1.978412 0.712327 ESP Fit Center 1060 is at -1.266081 3.293902 0.712327 ESP Fit Center 1061 is at -1.773736 3.362898 -1.258006 ESP Fit Center 1062 is at -1.674784 3.193165 -1.621068 ESP Fit Center 1063 is at -1.266940 3.030356 -1.939295 ESP Fit Center 1064 is at -1.672473 2.911281 -1.939295 ESP Fit Center 1065 is at -2.028032 2.682777 -1.939295 ESP Fit Center 1066 is at -0.193414 2.346545 -2.200457 ESP Fit Center 1067 is at -0.535572 2.604931 -2.200457 ESP Fit Center 1068 is at -0.947964 2.722267 -2.200457 ESP Fit Center 1069 is at -1.374895 2.682706 -2.200457 ESP Fit Center 1070 is at -1.758706 2.491591 -2.200457 ESP Fit Center 1071 is at -2.047560 2.174734 -2.200457 ESP Fit Center 1072 is at -2.047560 0.946359 -2.200457 ESP Fit Center 1073 is at -0.359645 1.962364 -2.394517 ESP Fit Center 1074 is at -0.653796 2.256515 -2.394517 ESP Fit Center 1075 is at -1.055613 2.364182 -2.394517 ESP Fit Center 1076 is at -1.457431 2.256515 -2.394517 ESP Fit Center 1077 is at -1.751582 1.962364 -2.394517 ESP Fit Center 1078 is at -1.859249 1.560546 -2.394517 ESP Fit Center 1079 is at -1.751582 1.158729 -2.394517 ESP Fit Center 1080 is at -0.645924 1.560546 -2.514020 ESP Fit Center 1081 is at -0.850769 1.915348 -2.514020 ESP Fit Center 1082 is at -1.260458 1.915348 -2.514020 ESP Fit Center 1083 is at -1.465303 1.560546 -2.514020 ESP Fit Center 1084 is at -1.260458 1.205745 -2.514020 ESP Fit Center 1085 is at -1.055613 1.560546 -2.554370 ESP Fit Center 1086 is at -2.404704 1.608064 1.964873 ESP Fit Center 1087 is at -1.995015 1.608064 1.924522 ESP Fit Center 1088 is at -2.199859 1.962866 1.924522 ESP Fit Center 1089 is at -2.609549 1.962866 1.924522 ESP Fit Center 1090 is at -2.814394 1.608064 1.924522 ESP Fit Center 1091 is at -2.609549 1.253263 1.924522 ESP Fit Center 1092 is at -2.199859 1.253263 1.924522 ESP Fit Center 1093 is at -1.601069 1.608064 1.805020 ESP Fit Center 1094 is at -1.708736 2.009882 1.805020 ESP Fit Center 1095 is at -2.002887 2.304033 1.805020 ESP Fit Center 1096 is at -2.404704 2.411700 1.805020 ESP Fit Center 1097 is at -2.806522 2.304033 1.805020 ESP Fit Center 1098 is at -3.100673 2.009882 1.805020 ESP Fit Center 1099 is at -3.208339 1.608064 1.805020 ESP Fit Center 1100 is at -2.002887 0.912096 1.805020 ESP Fit Center 1101 is at -1.708736 1.206247 1.805020 ESP Fit Center 1102 is at -1.316791 2.029524 1.610959 ESP Fit Center 1103 is at -1.542504 2.394063 1.610959 ESP Fit Center 1104 is at -1.884662 2.652449 1.610959 ESP Fit Center 1105 is at -2.297055 2.769785 1.610959 ESP Fit Center 1106 is at -1.542504 0.822065 1.610959 ESP Fit Center 1107 is at -1.316791 1.186605 1.610959 ESP Fit Center 1108 is at -1.432286 2.730295 1.349797 ESP Fit Center 1109 is at -1.787844 2.958799 1.349797 ESP Fit Center 1110 is at -1.432286 0.485833 1.349797 ESP Fit Center 1111 is at -1.412814 3.045065 1.031571 ESP Fit Center 1112 is at -1.495923 3.322208 0.668508 ESP Fit Center 1113 is at -2.194237 3.341420 -1.301824 ESP Fit Center 1114 is at -2.193377 3.077874 -1.620051 ESP Fit Center 1115 is at -2.616031 3.077874 -1.620051 ESP Fit Center 1116 is at -3.021564 2.958799 -1.620051 ESP Fit Center 1117 is at -3.377123 2.730295 -1.620051 ESP Fit Center 1118 is at -3.653902 2.410875 -1.620051 ESP Fit Center 1119 is at -3.829479 2.026416 -1.620051 ESP Fit Center 1120 is at -2.297055 2.769785 -1.881213 ESP Fit Center 1121 is at -2.723986 2.730224 -1.881213 ESP Fit Center 1122 is at -3.107797 2.539109 -1.881213 ESP Fit Center 1123 is at -3.396650 2.222251 -1.881213 ESP Fit Center 1124 is at -3.551536 1.822444 -1.881213 ESP Fit Center 1125 is at -3.551536 1.393684 -1.881213 ESP Fit Center 1126 is at -2.404704 2.411700 -2.075274 ESP Fit Center 1127 is at -2.806522 2.304033 -2.075274 ESP Fit Center 1128 is at -3.100673 2.009882 -2.075274 ESP Fit Center 1129 is at -3.208339 1.608064 -2.075274 ESP Fit Center 1130 is at -3.100673 1.206247 -2.075274 ESP Fit Center 1131 is at -2.806522 0.912096 -2.075274 ESP Fit Center 1132 is at -2.404704 0.804429 -2.075274 ESP Fit Center 1133 is at -2.199859 1.962866 -2.194776 ESP Fit Center 1134 is at -2.609549 1.962866 -2.194776 ESP Fit Center 1135 is at -2.814394 1.608064 -2.194776 ESP Fit Center 1136 is at -2.609549 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is at -0.267589 2.842398 1.096909 ESP Fit Center 1480 is at 0.355003 2.465836 0.929076 ESP Fit Center 1481 is at 0.242465 2.885836 0.929076 ESP Fit Center 1482 is at -0.064997 3.193297 0.929076 ESP Fit Center 1483 is at -0.484997 3.305836 0.929076 ESP Fit Center 1484 is at -0.904997 3.193297 0.929076 ESP Fit Center 1485 is at 0.702943 2.465836 0.662093 ESP Fit Center 1486 is at 0.622724 2.894969 0.662093 ESP Fit Center 1487 is at 0.392901 3.266145 0.662093 ESP Fit Center 1488 is at 0.044513 3.529236 0.662093 ESP Fit Center 1489 is at -0.375388 3.648708 0.662093 ESP Fit Center 1490 is at -0.810092 3.608426 0.662093 ESP Fit Center 1491 is at -1.200890 3.413832 0.662093 ESP Fit Center 1492 is at 0.969926 2.465836 0.314154 ESP Fit Center 1493 is at 0.905288 2.894682 0.314154 ESP Fit Center 1494 is at 0.717117 3.285423 0.314154 ESP Fit Center 1495 is at 0.422133 3.603340 0.314154 ESP Fit Center 1496 is at 0.046546 3.820185 0.314154 ESP Fit Center 1497 is at -0.376270 3.916690 0.314154 ESP Fit Center 1498 is at -0.808748 3.884281 0.314154 ESP Fit Center 1499 is at -1.212458 3.725836 0.314154 ESP Fit Center 1500 is at 1.082465 2.885836 -0.091030 ESP Fit Center 1501 is at 0.920351 3.277214 -0.091030 ESP Fit Center 1502 is at 0.662465 3.613297 -0.091030 ESP Fit Center 1503 is at 0.326381 3.871183 -0.091030 ESP Fit Center 1504 is at -0.064997 4.033297 -0.091030 ESP Fit Center 1505 is at -0.484997 4.088591 -0.091030 ESP Fit Center 1506 is at -0.904997 4.033297 -0.091030 ESP Fit Center 1507 is at -1.296375 3.871183 -0.091030 ESP Fit Center 1508 is at 0.987198 3.275182 -0.525846 ESP Fit Center 1509 is at 0.739670 3.615875 -0.525846 ESP Fit Center 1510 is at 0.415192 3.884307 -0.525846 ESP Fit Center 1511 is at 0.034152 4.063611 -0.525846 ESP Fit Center 1512 is at -0.379509 4.142521 -0.525846 ESP Fit Center 1513 is at -0.799797 4.116078 -0.525846 ESP Fit Center 1514 is at -1.200306 3.985945 -0.525846 ESP Fit Center 1515 is at -1.555869 3.760298 -0.525846 ESP Fit Center 1516 is 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Fit Center 1553 is at -5.787485 -0.065863 1.627903 ESP Fit Center 1554 is at -6.257100 3.172595 1.264841 ESP Fit Center 1555 is at -6.576852 2.900994 1.264841 ESP Fit Center 1556 is at -5.684570 3.560656 0.870895 ESP Fit Center 1557 is at -6.075372 3.415919 0.870895 ESP Fit Center 1558 is at -6.429038 3.195477 0.870895 ESP Fit Center 1559 is at -6.731090 2.908355 0.870895 ESP Fit Center 1560 is at -4.364679 3.506903 0.461206 ESP Fit Center 1561 is at -4.758625 3.626406 0.461206 ESP Fit Center 1562 is at -5.168314 3.666756 0.461206 ESP Fit Center 1563 is at -5.578004 3.626406 0.461206 ESP Fit Center 1564 is at -5.971949 3.506903 0.461206 ESP Fit Center 1565 is at -6.335012 3.312843 0.461206 ESP Fit Center 1566 is at -6.653238 3.051681 0.461206 ESP Fit Center 1567 is at -6.429038 3.195477 0.051516 ESP Fit Center 1568 is at -6.731090 2.908355 0.051516 ESP Fit Center 1569 is at -6.830743 2.567007 -0.342430 ESP Fit Center 1570 is at -6.863662 1.984622 -0.705492 ESP Fit Center 1571 is at 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0.602239 ESP Fit Center 1608 is at -5.099994 -1.509175 0.208293 ESP Fit Center 1609 is at -5.276152 -1.889933 0.208293 ESP Fit Center 1610 is at -5.366339 -2.299658 0.208293 ESP Fit Center 1611 is at -2.528784 -4.223568 0.208293 ESP Fit Center 1612 is at -2.181541 -3.988131 0.208293 ESP Fit Center 1613 is at -5.183652 -2.509425 -0.154769 ESP Fit Center 1614 is at -2.818395 -4.142044 -0.154769 ESP Fit Center 1615 is at -2.445676 -3.946426 -0.154769 ESP Fit Center 1616 is at -2.130601 -3.667294 -0.154769 ESP Fit Center 1617 is at -2.820706 -3.860159 -0.472996 ESP Fit Center 1618 is at -6.183322 1.261647 2.342653 ESP Fit Center 1619 is at -6.400730 1.638208 2.285408 ESP Fit Center 1620 is at -6.618138 1.261647 2.285408 ESP Fit Center 1621 is at -6.400730 0.885085 2.285408 ESP Fit Center 1622 is at -5.965914 0.885085 2.285408 ESP Fit Center 1623 is at -6.603322 1.989108 2.117576 ESP Fit Center 1624 is at -6.910783 1.681647 2.117576 ESP Fit Center 1625 is at -7.023322 1.261647 2.117576 ESP Fit Center 1626 is at -6.910783 0.841647 2.117576 ESP Fit Center 1627 is at -6.603322 0.534185 2.117576 ESP Fit Center 1628 is at -6.183322 0.421647 2.117576 ESP Fit Center 1629 is at -6.508417 2.404237 1.850592 ESP Fit Center 1630 is at -6.899215 2.209643 1.850592 ESP Fit Center 1631 is at -7.193328 1.887016 1.850592 ESP Fit Center 1632 is at -7.351034 1.479930 1.850592 ESP Fit Center 1633 is at -7.351034 1.043363 1.850592 ESP Fit Center 1634 is at -7.193328 0.636277 1.850592 ESP Fit Center 1635 is at -6.899215 0.313650 1.850592 ESP Fit Center 1636 is at -6.508417 0.119056 1.850592 ESP Fit Center 1637 is at -6.073713 0.078775 1.850592 ESP Fit Center 1638 is at -6.910783 2.521647 1.502653 ESP Fit Center 1639 is at -7.249856 2.251245 1.502653 ESP Fit Center 1640 is at -7.494162 1.892914 1.502653 ESP Fit Center 1641 is at -7.621994 1.478491 1.502653 ESP Fit Center 1642 is at -7.621994 1.044802 1.502653 ESP Fit Center 1643 is at -7.494162 0.630379 1.502653 ESP Fit Center 1644 is at -7.249856 0.272048 1.502653 ESP Fit Center 1645 is at -6.910783 0.001647 1.502653 ESP Fit Center 1646 is at -6.507073 -0.156798 1.502653 ESP Fit Center 1647 is at -6.074595 -0.189208 1.502653 ESP Fit Center 1648 is at -6.994700 2.666994 1.097469 ESP Fit Center 1649 is at -7.330783 2.409108 1.097469 ESP Fit Center 1650 is at -7.588669 2.073024 1.097469 ESP Fit Center 1651 is at -7.750783 1.681647 1.097469 ESP Fit Center 1652 is at -7.806077 1.261647 1.097469 ESP Fit Center 1653 is at -7.750783 0.841647 1.097469 ESP Fit Center 1654 is at -7.588669 0.450269 1.097469 ESP Fit Center 1655 is at -7.330783 0.114185 1.097469 ESP Fit Center 1656 is at -6.994700 -0.143701 1.097469 ESP Fit Center 1657 is at -6.603322 -0.305815 1.097469 ESP Fit Center 1658 is at -6.183322 -0.361109 1.097469 ESP Fit Center 1659 is at -6.898631 2.781756 0.662653 ESP Fit Center 1660 is at -7.254194 2.556109 0.662653 ESP Fit Center 1661 is at -7.542470 2.249126 0.662653 ESP Fit Center 1662 is at -7.745346 1.880096 0.662653 ESP Fit Center 1663 is at -7.850075 1.472206 0.662653 ESP Fit Center 1664 is at -7.850075 1.051087 0.662653 ESP Fit Center 1665 is at -7.745346 0.643197 0.662653 ESP Fit Center 1666 is at -7.542470 0.274167 0.662653 ESP Fit Center 1667 is at -7.254194 -0.032816 0.662653 ESP Fit Center 1668 is at -6.898631 -0.258463 0.662653 ESP Fit Center 1669 is at -6.498123 -0.388596 0.662653 ESP Fit Center 1670 is at -6.994700 2.666994 0.227837 ESP Fit Center 1671 is at -7.330783 2.409108 0.227837 ESP Fit Center 1672 is at -7.588669 2.073024 0.227837 ESP Fit Center 1673 is at -7.750783 1.681647 0.227837 ESP Fit Center 1674 is at -7.806077 1.261647 0.227837 ESP Fit Center 1675 is at -7.750783 0.841647 0.227837 ESP Fit Center 1676 is at -7.588669 0.450269 0.227837 ESP Fit Center 1677 is at -7.330783 0.114185 0.227837 ESP Fit Center 1678 is at -6.994700 -0.143701 0.227837 ESP Fit Center 1679 is at -6.603322 -0.305815 0.227837 ESP Fit Center 1680 is at -7.249856 2.251245 -0.177347 ESP Fit Center 1681 is at -7.494162 1.892914 -0.177347 ESP Fit Center 1682 is at -7.621994 1.478491 -0.177347 ESP Fit Center 1683 is at -7.621994 1.044802 -0.177347 ESP Fit Center 1684 is at -7.494162 0.630379 -0.177347 ESP Fit Center 1685 is at -7.249856 0.272048 -0.177347 ESP Fit Center 1686 is at -6.910783 0.001647 -0.177347 ESP Fit Center 1687 is at -6.507073 -0.156798 -0.177347 ESP Fit Center 1688 is at -7.193328 1.887016 -0.525286 ESP Fit Center 1689 is at -7.351034 1.479930 -0.525286 ESP Fit Center 1690 is at -7.351034 1.043363 -0.525286 ESP Fit Center 1691 is at -7.193328 0.636277 -0.525286 ESP Fit Center 1692 is at -6.899215 0.313650 -0.525286 ESP Fit Center 1693 is at -6.508417 0.119056 -0.525286 ESP Fit Center 1694 is at -6.910783 1.681647 -0.792270 ESP Fit Center 1695 is at -7.023322 1.261647 -0.792270 ESP Fit Center 1696 is at -6.910783 0.841647 -0.792270 ESP Fit Center 1697 is at -6.603322 0.534185 -0.792270 ESP Fit Center 1698 is at -4.340034 3.602113 0.014131 ESP Fit Center 1699 is at -4.731412 3.764227 0.014131 ESP Fit Center 1700 is at -5.151412 3.819521 0.014131 ESP Fit Center 1701 is at -5.571412 3.764227 0.014131 ESP Fit Center 1702 is at -5.962789 3.602113 0.014131 ESP Fit Center 1703 is at -6.298873 3.344227 0.014131 ESP Fit Center 1704 is at -4.251223 3.615237 -0.420685 ESP Fit Center 1705 is at -4.632263 3.794541 -0.420685 ESP Fit Center 1706 is at -5.045924 3.873451 -0.420685 ESP Fit Center 1707 is at -5.466212 3.847009 -0.420685 ESP Fit Center 1708 is at -5.866721 3.716875 -0.420685 ESP Fit Center 1709 is at -6.222284 3.491228 -0.420685 ESP Fit Center 1710 is at -6.510560 3.184245 -0.420685 ESP Fit Center 1711 is at -6.713436 2.815215 -0.420685 ESP Fit Center 1712 is at -4.340034 3.602113 -0.855501 ESP Fit Center 1713 is at -4.731412 3.764227 -0.855501 ESP Fit Center 1714 is at -5.151412 3.819521 -0.855501 ESP Fit Center 1715 is at -5.571412 3.764227 -0.855501 ESP Fit Center 1716 is at -5.962789 3.602113 -0.855501 ESP Fit Center 1717 is at 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3.260166 -1.608625 ESP Fit Center 1736 is at -5.041802 3.379638 -1.608625 ESP Fit Center 1737 is at -5.476507 3.339357 -1.608625 ESP Fit Center 1738 is at -5.867305 3.144762 -1.608625 ESP Fit Center 1739 is at -6.161418 2.822135 -1.608625 ESP Fit Center 1740 is at -6.319124 2.415049 -1.608625 ESP Fit Center 1741 is at -6.319124 1.978483 -1.608625 ESP Fit Center 1742 is at -6.161418 1.571396 -1.608625 ESP Fit Center 1743 is at -5.867305 1.248770 -1.608625 ESP Fit Center 1744 is at -5.476507 1.054175 -1.608625 ESP Fit Center 1745 is at -5.041802 1.013894 -1.608625 ESP Fit Center 1746 is at -4.621901 1.133366 -1.608625 ESP Fit Center 1747 is at -4.273514 1.396456 -1.608625 ESP Fit Center 1748 is at -4.043691 1.767633 -1.608625 ESP Fit Center 1749 is at -4.311412 2.196766 -1.875608 ESP Fit Center 1750 is at -4.423950 2.616766 -1.875608 ESP Fit Center 1751 is at -4.731412 2.924227 -1.875608 ESP Fit Center 1752 is at -5.151412 3.036766 -1.875608 ESP Fit Center 1753 is at -5.571412 2.924227 -1.875608 ESP Fit Center 1754 is at -5.878873 2.616766 -1.875608 ESP Fit Center 1755 is at -5.991412 2.196766 -1.875608 ESP Fit Center 1756 is at -5.878873 1.776766 -1.875608 ESP Fit Center 1757 is at -5.571412 1.469305 -1.875608 ESP Fit Center 1758 is at -5.151412 1.356766 -1.875608 ESP Fit Center 1759 is at -4.731412 1.469305 -1.875608 ESP Fit Center 1760 is at -4.423950 1.776766 -1.875608 ESP Fit Center 1761 is at -4.716596 2.196766 -2.043441 ESP Fit Center 1762 is at -4.934004 2.573328 -2.043441 ESP Fit Center 1763 is at -5.368820 2.573328 -2.043441 ESP Fit Center 1764 is at -5.586228 2.196766 -2.043441 ESP Fit Center 1765 is at -5.368820 1.820204 -2.043441 ESP Fit Center 1766 is at -4.934004 1.820204 -2.043441 ESP Fit Center 1767 is at -5.151412 2.196766 -2.100685 ESP Fit Center 1768 is at -4.784480 2.119740 2.991221 ESP Fit Center 1769 is at -4.349664 2.119740 2.933977 ESP Fit Center 1770 is at -4.567072 2.496302 2.933977 ESP Fit Center 1771 is at -5.001888 2.496302 2.933977 ESP Fit Center 1772 is at -5.219296 2.119740 2.933977 ESP Fit Center 1773 is at -5.001888 1.743178 2.933977 ESP Fit Center 1774 is at -4.567072 1.743178 2.933977 ESP Fit Center 1775 is at -3.944480 2.119740 2.766144 ESP Fit Center 1776 is at -4.057019 2.539740 2.766144 ESP Fit Center 1777 is at -4.364480 2.847201 2.766144 ESP Fit Center 1778 is at -4.784480 2.959740 2.766144 ESP Fit Center 1779 is at -5.204480 2.847201 2.766144 ESP Fit Center 1780 is at -5.511941 2.539740 2.766144 ESP Fit Center 1781 is at -5.624480 2.119740 2.766144 ESP Fit Center 1782 is at -5.511941 1.699740 2.766144 ESP Fit Center 1783 is at -5.204480 1.392279 2.766144 ESP Fit Center 1784 is at -4.784480 1.279740 2.766144 ESP Fit Center 1785 is at -4.364480 1.392279 2.766144 ESP Fit Center 1786 is at -4.057019 1.699740 2.766144 ESP Fit Center 1787 is at -3.596541 2.119740 2.499161 ESP Fit Center 1788 is at -3.676759 2.548873 2.499161 ESP Fit Center 1789 is at -3.906582 2.920050 2.499161 ESP Fit Center 1790 is at -4.254970 3.183140 2.499161 ESP Fit Center 1791 is at -4.674871 3.302612 2.499161 ESP Fit Center 1792 is at -5.109575 3.262331 2.499161 ESP Fit Center 1793 is at -5.500373 3.067736 2.499161 ESP Fit Center 1794 is at -5.794486 2.745110 2.499161 ESP Fit Center 1795 is at -5.952192 2.338023 2.499161 ESP Fit Center 1796 is at -5.952192 1.901457 2.499161 ESP Fit Center 1797 is at -5.794486 1.494371 2.499161 ESP Fit Center 1798 is at -5.500373 1.171744 2.499161 ESP Fit Center 1799 is at -5.109575 0.977150 2.499161 ESP Fit Center 1800 is at -4.674871 0.936868 2.499161 ESP Fit Center 1801 is at -4.254970 1.056340 2.499161 ESP Fit Center 1802 is at -3.906582 1.319430 2.499161 ESP Fit Center 1803 is at -3.676759 1.690607 2.499161 ESP Fit Center 1804 is at -3.329557 2.119740 2.151221 ESP Fit Center 1805 is at -3.394195 2.548586 2.151221 ESP Fit Center 1806 is at -3.582366 2.939327 2.151221 ESP Fit Center 1807 is at -3.877350 3.257244 2.151221 ESP Fit Center 1808 is at -4.252937 3.474089 2.151221 ESP Fit Center 1809 is at -4.675753 3.570594 2.151221 ESP Fit Center 1810 is at -5.108231 3.538185 2.151221 ESP Fit Center 1811 is at -5.511941 3.379740 2.151221 ESP Fit Center 1812 is at -5.851014 3.109339 2.151221 ESP Fit Center 1813 is at -6.095320 2.751007 2.151221 ESP Fit Center 1814 is at -6.223152 2.336585 2.151221 ESP Fit Center 1815 is at -3.877350 0.982236 2.151221 ESP Fit Center 1816 is at -3.582366 1.300153 2.151221 ESP Fit Center 1817 is at -3.394195 1.690894 2.151221 ESP Fit Center 1818 is at -3.217019 2.539740 1.746037 ESP Fit Center 1819 is at -3.379133 2.931118 1.746037 ESP Fit Center 1820 is at -3.637019 3.267201 1.746037 ESP Fit Center 1821 is at -3.973102 3.525087 1.746037 ESP Fit Center 1822 is at -4.364480 3.687201 1.746037 ESP Fit Center 1823 is at -4.784480 3.742495 1.746037 ESP Fit Center 1824 is at -5.204480 3.687201 1.746037 ESP Fit Center 1825 is at -5.595858 3.525087 1.746037 ESP Fit Center 1826 is at -5.931941 3.267201 1.746037 ESP Fit Center 1827 is at -6.189827 2.931118 1.746037 ESP Fit Center 1828 is at -3.884291 3.538211 1.311221 ESP Fit Center 1829 is at -4.265331 3.717515 1.311221 ESP Fit Center 1830 is at -4.678992 3.796425 1.311221 ESP Fit Center 1831 is at -5.099281 3.769983 1.311221 ESP Fit Center 1832 is at -5.499789 3.639850 1.311221 ESP Fit Center 1833 is at -5.855352 3.414202 1.311221 ESP Fit Center 1834 is at -3.973102 3.525087 0.876405 ESP Fit Center 1835 is at -4.364480 3.687201 0.876405 ESP Fit Center 1836 is at -4.784480 3.742495 0.876405 ESP Fit Center 1837 is at -5.204480 3.687201 0.876405 ESP Fit Center 1838 is at -4.252937 3.474089 0.471221 ESP Fit Center 1839 is at -4.222168 -3.792957 2.485776 ESP Fit Center 1840 is at -4.844760 -3.416395 2.317943 ESP Fit Center 1841 is at -4.732221 -3.836395 2.317943 ESP Fit Center 1842 is at -4.424760 -4.143857 2.317943 ESP Fit Center 1843 is at -4.004760 -4.256395 2.317943 ESP Fit Center 1844 is at -5.172472 -3.198112 2.050960 ESP Fit Center 1845 is at -5.172472 -3.634679 2.050960 ESP Fit Center 1846 is at -5.014766 -4.041765 2.050960 ESP Fit Center 1847 is at -4.720653 -4.364391 2.050960 ESP Fit Center 1848 is at -4.329855 -4.558986 2.050960 ESP Fit Center 1849 is at -3.895150 -4.599267 2.050960 ESP Fit Center 1850 is at -3.475249 -4.479795 2.050960 ESP Fit Center 1851 is at -5.443432 -3.199550 1.703021 ESP Fit Center 1852 is at -5.443432 -3.633240 1.703021 ESP Fit Center 1853 is at -5.315600 -4.047663 1.703021 ESP Fit Center 1854 is at -5.071293 -4.405994 1.703021 ESP Fit Center 1855 is at -4.732221 -4.676395 1.703021 ESP Fit Center 1856 is at -4.328510 -4.834840 1.703021 ESP Fit Center 1857 is at -3.896033 -4.867250 1.703021 ESP Fit Center 1858 is at -3.473217 -4.770745 1.703021 ESP Fit Center 1859 is at -3.097630 -4.553900 1.703021 ESP Fit Center 1860 is at -5.572221 -2.996395 1.297837 ESP Fit Center 1861 is at -5.627515 -3.416395 1.297837 ESP Fit Center 1862 is at -5.572221 -3.836395 1.297837 ESP Fit Center 1863 is at -5.410107 -4.227773 1.297837 ESP Fit Center 1864 is at -5.152221 -4.563857 1.297837 ESP Fit Center 1865 is at -4.816137 -4.821743 1.297837 ESP Fit Center 1866 is at -4.424760 -4.983857 1.297837 ESP Fit Center 1867 is at -4.004760 -5.039151 1.297837 ESP Fit Center 1868 is at -3.584760 -4.983857 1.297837 ESP Fit Center 1869 is at -3.193382 -4.821743 1.297837 ESP Fit Center 1870 is at -2.857298 -4.563857 1.297837 ESP Fit Center 1871 is at -5.566784 -2.797946 0.863021 ESP Fit Center 1872 is at -5.671512 -3.205836 0.863021 ESP Fit Center 1873 is at -5.671512 -3.626955 0.863021 ESP Fit Center 1874 is at -5.566784 -4.034845 0.863021 ESP Fit Center 1875 is at -5.363908 -4.403875 0.863021 ESP Fit Center 1876 is at -5.075632 -4.710858 0.863021 ESP Fit Center 1877 is at -4.720069 -4.936505 0.863021 ESP Fit Center 1878 is at -4.319560 -5.066638 0.863021 ESP Fit Center 1879 is at -3.899271 -5.093080 0.863021 ESP Fit Center 1880 is at -3.485611 -5.014170 0.863021 ESP Fit Center 1881 is at -3.104570 -4.834866 0.863021 ESP Fit Center 1882 is at -2.780092 -4.566435 0.863021 ESP Fit Center 1883 is at -5.572221 -2.996395 0.428205 ESP Fit Center 1884 is at -5.627515 -3.416395 0.428205 ESP Fit Center 1885 is at -5.572221 -3.836395 0.428205 ESP Fit Center 1886 is at -5.410107 -4.227773 0.428205 ESP Fit Center 1887 is at -5.152221 -4.563857 0.428205 ESP Fit Center 1888 is at -4.816137 -4.821743 0.428205 ESP Fit Center 1889 is at -4.424760 -4.983857 0.428205 ESP Fit Center 1890 is at -4.004760 -5.039151 0.428205 ESP Fit Center 1891 is at -3.584760 -4.983857 0.428205 ESP Fit Center 1892 is at -3.193382 -4.821743 0.428205 ESP Fit Center 1893 is at -2.857298 -4.563857 0.428205 ESP Fit Center 1894 is at -5.315600 -2.785128 0.023021 ESP Fit Center 1895 is at -5.443432 -3.199550 0.023021 ESP Fit Center 1896 is at -5.443432 -3.633240 0.023021 ESP Fit Center 1897 is at -5.315600 -4.047663 0.023021 ESP Fit Center 1898 is at -5.071293 -4.405994 0.023021 ESP Fit Center 1899 is at -4.732221 -4.676395 0.023021 ESP Fit Center 1900 is at -4.328510 -4.834840 0.023021 ESP Fit Center 1901 is at -3.896033 -4.867250 0.023021 ESP Fit Center 1902 is at -3.473217 -4.770745 0.023021 ESP Fit Center 1903 is at -3.097630 -4.553900 0.023021 ESP Fit Center 1904 is at -5.172472 -3.198112 -0.324919 ESP Fit Center 1905 is at -5.172472 -3.634679 -0.324919 ESP Fit Center 1906 is at -5.014766 -4.041765 -0.324919 ESP Fit Center 1907 is at -4.720653 -4.364391 -0.324919 ESP Fit Center 1908 is at -4.329855 -4.558986 -0.324919 ESP Fit Center 1909 is at -3.895150 -4.599267 -0.324919 ESP Fit Center 1910 is at -3.475249 -4.479795 -0.324919 ESP Fit Center 1911 is at -3.126862 -4.216705 -0.324919 ESP Fit Center 1912 is at -4.844760 -3.416395 -0.591902 ESP Fit Center 1913 is at -4.732221 -3.836395 -0.591902 ESP Fit Center 1914 is at -4.424760 -4.143857 -0.591902 ESP Fit Center 1915 is at -4.004760 -4.256395 -0.591902 ESP Fit Center 1916 is at -3.584760 -4.143857 -0.591902 ESP Fit Center 1917 is at -4.222168 -3.792957 -0.759735 ESP Fit Center 1918 is at -3.787352 -3.792957 -0.759735 ESP Fit Center 1919 is at -3.992818 -1.838524 3.335327 ESP Fit Center 1920 is at -3.558002 -1.838524 3.278083 ESP Fit Center 1921 is at -3.775410 -1.461962 3.278083 ESP Fit Center 1922 is at -4.210226 -1.461962 3.278083 ESP Fit Center 1923 is at -4.427634 -1.838524 3.278083 ESP Fit Center 1924 is at -4.210226 -2.215085 3.278083 ESP Fit Center 1925 is at -3.775410 -2.215085 3.278083 ESP Fit Center 1926 is at -3.152818 -1.838524 3.110250 ESP Fit Center 1927 is at -3.265357 -1.418524 3.110250 ESP Fit Center 1928 is at -3.572818 -1.111062 3.110250 ESP Fit Center 1929 is at -3.992818 -0.998524 3.110250 ESP Fit Center 1930 is at -4.412818 -1.111062 3.110250 ESP Fit Center 1931 is at -4.720280 -1.418524 3.110250 ESP Fit Center 1932 is at -4.832818 -1.838524 3.110250 ESP Fit Center 1933 is at -4.720280 -2.258524 3.110250 ESP Fit Center 1934 is at -4.412818 -2.565985 3.110250 ESP Fit Center 1935 is at -3.992818 -2.678524 3.110250 ESP Fit Center 1936 is at -3.572818 -2.565985 3.110250 ESP Fit Center 1937 is at -3.265357 -2.258524 3.110250 ESP Fit Center 1938 is at -2.885098 -1.409391 2.843267 ESP Fit Center 1939 is at -3.114920 -1.038214 2.843267 ESP Fit Center 1940 is at -3.463308 -0.775124 2.843267 ESP Fit Center 1941 is at -3.883209 -0.655652 2.843267 ESP Fit Center 1942 is at -4.317913 -0.695933 2.843267 ESP Fit Center 1943 is at -4.708712 -0.890528 2.843267 ESP Fit Center 1944 is at -5.002825 -1.213154 2.843267 ESP Fit Center 1945 is at -5.160531 -1.620240 2.843267 ESP Fit Center 1946 is at -5.160531 -2.056807 2.843267 ESP Fit Center 1947 is at -5.002825 -2.463893 2.843267 ESP Fit Center 1948 is at -4.708712 -2.786520 2.843267 ESP Fit Center 1949 is at -2.790705 -1.018937 2.495327 ESP Fit Center 1950 is at -3.085689 -0.701019 2.495327 ESP Fit Center 1951 is at -3.461275 -0.484174 2.495327 ESP Fit Center 1952 is at -3.884092 -0.387669 2.495327 ESP Fit Center 1953 is at -4.316569 -0.420079 2.495327 ESP Fit Center 1954 is at -4.720280 -0.578524 2.495327 ESP Fit Center 1955 is at -5.059352 -0.848925 2.495327 ESP Fit Center 1956 is at -5.303658 -1.207256 2.495327 ESP Fit Center 1957 is at -5.431491 -1.621679 2.495327 ESP Fit Center 1958 is at -5.431491 -2.055369 2.495327 ESP Fit Center 1959 is at -5.303658 -2.469791 2.495327 ESP Fit Center 1960 is at -5.059352 -2.828122 2.495327 ESP Fit Center 1961 is at -2.845357 -0.691062 2.090143 ESP Fit Center 1962 is at -3.181441 -0.433176 2.090143 ESP Fit Center 1963 is at -3.572818 -0.271062 2.090143 ESP Fit Center 1964 is at -3.992818 -0.215768 2.090143 ESP Fit Center 1965 is at -4.804196 -0.433176 2.090143 ESP Fit Center 1966 is at -5.140280 -0.691062 2.090143 ESP Fit Center 1967 is at -5.398166 -1.027146 2.090143 ESP Fit Center 1968 is at -5.560280 -1.418524 2.090143 ESP Fit Center 1969 is at -5.615574 -1.838524 2.090143 ESP Fit Center 1970 is at -5.560280 -2.258524 2.090143 ESP Fit Center 1971 is at -5.398166 -2.649901 2.090143 ESP Fit Center 1972 is at -5.351967 -0.851045 1.655327 ESP Fit Center 1973 is at -5.554843 -1.220074 1.655327 ESP Fit Center 1974 is at -5.659571 -1.627964 1.655327 ESP Fit Center 1975 is at -5.659571 -2.049084 1.655327 ESP Fit Center 1976 is at -5.554843 -2.456973 1.655327 ESP Fit Center 1977 is at -5.560280 -1.418524 1.220511 ESP Fit Center 1978 is at -5.615574 -1.838524 1.220511 ESP Fit Center 1979 is at -5.560280 -2.258524 1.220511 ESP Fit Center 1980 is at -5.431491 -1.621679 0.815327 ESP Fit Center 1981 is at -2.484794 -2.748816 3.151676 ESP Fit Center 1982 is at -2.049978 -2.748816 3.094432 ESP Fit Center 1983 is at -2.267386 -2.372254 3.094432 ESP Fit Center 1984 is at -2.702202 -2.372254 3.094432 ESP Fit Center 1985 is at -2.919610 -2.748816 3.094432 ESP Fit Center 1986 is at -2.702202 -3.125378 3.094432 ESP Fit Center 1987 is at -2.267386 -3.125378 3.094432 ESP Fit Center 1988 is at -1.644794 -2.748816 2.926599 ESP Fit Center 1989 is at -1.757333 -2.328816 2.926599 ESP Fit Center 1990 is at -2.064794 -2.021355 2.926599 ESP Fit Center 1991 is at -2.484794 -1.908816 2.926599 ESP Fit Center 1992 is at -2.904794 -3.476277 2.926599 ESP Fit Center 1993 is at -2.484794 -3.588816 2.926599 ESP Fit Center 1994 is at -2.064794 -3.476277 2.926599 ESP Fit Center 1995 is at -1.757333 -3.168816 2.926599 ESP Fit Center 1996 is at -1.296855 -2.748816 2.659616 ESP Fit Center 1997 is at -1.377074 -2.319683 2.659616 ESP Fit Center 1998 is at -1.606896 -1.948506 2.659616 ESP Fit Center 1999 is at -1.955284 -1.685416 2.659616 ESP Fit Center 2000 is at -2.375185 -1.565944 2.659616 ESP Fit Center 2001 is at -2.809889 -3.891407 2.659616 ESP Fit Center 2002 is at -2.375185 -3.931688 2.659616 ESP Fit Center 2003 is at -1.955284 -3.812216 2.659616 ESP Fit Center 2004 is at -1.606896 -3.549126 2.659616 ESP Fit Center 2005 is at -1.377074 -3.177949 2.659616 ESP Fit Center 2006 is at -1.029871 -2.748816 2.311676 ESP Fit Center 2007 is at -1.094509 -2.319970 2.311676 ESP Fit Center 2008 is at -1.282680 -1.929229 2.311676 ESP Fit Center 2009 is at -1.577665 -1.611312 2.311676 ESP Fit Center 2010 is at -1.953251 -1.394467 2.311676 ESP Fit Center 2011 is at -2.808545 -4.167261 2.311676 ESP Fit Center 2012 is at -2.376068 -4.199671 2.311676 ESP Fit Center 2013 is at -1.953251 -4.103165 2.311676 ESP Fit Center 2014 is at -1.577665 -3.886320 2.311676 ESP Fit Center 2015 is at -1.282680 -3.568403 2.311676 ESP Fit Center 2016 is at -1.094509 -3.177662 2.311676 ESP Fit Center 2017 is at -0.862039 -2.748816 1.906492 ESP Fit Center 2018 is at -0.917333 -2.328816 1.906492 ESP Fit Center 2019 is at -1.079447 -1.937438 1.906492 ESP Fit Center 2020 is at -1.337333 -1.601355 1.906492 ESP Fit Center 2021 is at -1.673416 -1.343469 1.906492 ESP Fit Center 2022 is at -2.064794 -1.181355 1.906492 ESP Fit Center 2023 is at -2.484794 -4.371571 1.906492 ESP Fit Center 2024 is at -2.064794 -4.316277 1.906492 ESP Fit Center 2025 is at -1.673416 -4.154163 1.906492 ESP Fit Center 2026 is at -1.337333 -3.896277 1.906492 ESP Fit Center 2027 is at -1.079447 -3.560194 1.906492 ESP Fit Center 2028 is at -0.917333 -3.168816 1.906492 ESP Fit Center 2029 is at -0.804794 -2.748816 1.471676 ESP Fit Center 2030 is at -0.857574 -2.331017 1.471676 ESP Fit Center 2031 is at -1.012599 -1.939470 1.471676 ESP Fit Center 2032 is at -1.260127 -1.598777 1.471676 ESP Fit Center 2033 is at -2.379306 -4.425501 1.471676 ESP Fit Center 2034 is at -1.965645 -4.346591 1.471676 ESP Fit Center 2035 is at -1.584605 -4.167287 1.471676 ESP Fit Center 2036 is at -1.260127 -3.898855 1.471676 ESP Fit Center 2037 is at -1.012599 -3.558162 1.471676 ESP Fit Center 2038 is at -0.857574 -3.166615 1.471676 ESP Fit Center 2039 is at -0.862039 -2.748816 1.036861 ESP Fit Center 2040 is at -0.917333 -2.328816 1.036861 ESP Fit Center 2041 is at -2.064794 -4.316277 1.036861 ESP Fit Center 2042 is at -1.673416 -4.154163 1.036861 ESP Fit Center 2043 is at -1.337333 -3.896277 1.036861 ESP Fit Center 2044 is at -1.079447 -3.560194 1.036861 ESP Fit Center 2045 is at -0.917333 -3.168816 1.036861 ESP Fit Center 2046 is at -1.029871 -2.748816 0.631676 ESP Fit Center 2047 is at -1.953251 -4.103165 0.631676 ESP Fit Center 2048 is at -1.577665 -3.886320 0.631676 ESP Fit Center 2049 is at -1.282680 -3.568403 0.631676 ESP Fit Center 2050 is at -1.094509 -3.177662 0.631676 ESP Fit Center 2051 is at -1.955284 -3.812216 0.283737 ESP Fit Center 2052 is at -1.606896 -3.549126 0.283737 ESP Fit Center 2053 is at -1.377074 -3.177949 0.283737 ESP Fit Center 2054 is at 3.724477 2.116307 3.712740 ESP Fit Center 2055 is at 3.099343 1.755386 3.712740 ESP Fit Center 2056 is at 3.516099 1.755386 3.712740 ESP Fit Center 2057 is at 4.128569 2.116307 3.604463 ESP Fit Center 2058 is at 3.307721 1.295459 3.604463 ESP Fit Center 2059 is at 3.718145 1.405431 3.604463 ESP Fit Center 2060 is at 4.018597 1.705883 3.604463 ESP Fit Center 2061 is at 4.507721 2.116307 3.427662 ESP Fit Center 2062 is at 4.435352 2.526731 3.427662 ESP Fit Center 2063 is at 3.516099 0.934538 3.427662 ESP Fit Center 2064 is at 3.907721 1.077076 3.427662 ESP Fit Center 2065 is at 4.625826 2.917864 3.187708 ESP Fit Center 2066 is at 4.017459 0.746575 3.187708 ESP Fit Center 2067 is at 4.950671 2.941427 2.891891 ESP Fit Center 2068 is at 5.013646 3.303666 2.549201 ESP Fit Center 2069 is at 5.204968 3.335594 2.170049 ESP Fit Center 2070 is at 4.939931 3.672616 2.170049 ESP Fit Center 2071 is at 5.336698 3.328564 1.765957 ESP Fit Center 2072 is at 5.087635 3.671370 1.765957 ESP Fit Center 2073 is at 4.781363 3.964196 1.765957 ESP Fit Center 2074 is at 4.427728 4.197628 1.765957 ESP Fit Center 2075 is at 5.386182 3.316307 1.349201 ESP Fit Center 2076 is at 5.146228 3.658997 1.349201 ESP Fit Center 2077 is at 4.850411 3.954814 1.349201 ESP Fit Center 2078 is at 4.507721 4.194768 1.349201 ESP Fit Center 2079 is at 4.128569 4.371569 1.349201 ESP Fit Center 2080 is at 1.229260 3.316307 1.349201 ESP Fit Center 2081 is at 1.052459 2.937155 1.349201 ESP Fit Center 2082 is at 5.336698 3.328564 0.932445 ESP Fit Center 2083 is at 5.087635 3.671370 0.932445 ESP Fit Center 2084 is at 4.781363 3.964196 0.932445 ESP Fit Center 2085 is at 4.427728 4.197628 0.932445 ESP Fit Center 2086 is at 4.038095 4.364166 0.932445 ESP Fit Center 2087 is at 3.624987 4.458455 0.932445 ESP Fit Center 2088 is at 3.201681 4.477466 0.932445 ESP Fit Center 2089 is at 2.781784 4.420587 0.932445 ESP Fit Center 2090 is at 2.378791 4.289646 0.932445 ESP Fit Center 2091 is at 2.005655 4.088853 0.932445 ESP Fit Center 2092 is at 1.674368 3.824660 0.932445 ESP Fit Center 2093 is at 1.395578 3.505560 0.932445 ESP Fit Center 2094 is at 1.178246 3.141808 0.932445 ESP Fit Center 2095 is at 5.401434 2.954503 0.528353 ESP Fit Center 2096 is at 5.204968 3.335594 0.528353 ESP Fit Center 2097 is at 4.939931 3.672616 0.528353 ESP Fit Center 2098 is at 4.615902 3.953389 0.528353 ESP Fit Center 2099 is at 4.244591 4.167766 0.528353 ESP Fit Center 2100 is at 1.830838 3.820720 0.528353 ESP Fit Center 2101 is at 1.534965 3.510418 0.528353 ESP Fit Center 2102 is at 1.303164 3.149728 0.528353 ESP Fit Center 2103 is at 1.143813 2.751688 0.528353 ESP Fit Center 2104 is at 5.343636 2.534698 0.149201 ESP Fit Center 2105 is at 5.217739 2.935960 0.149201 ESP Fit Center 2106 is at 5.013646 3.303666 0.149201 ESP Fit Center 2107 is at 5.146228 2.116307 -0.193489 ESP Fit Center 2108 is at 5.096671 2.540296 -0.193489 ESP Fit Center 2109 is at 5.096671 1.692318 -0.193489 ESP Fit Center 2110 is at 4.793204 1.700094 -0.489306 ESP Fit Center 2111 is at 3.048971 2.879064 3.985158 ESP Fit Center 2112 is at 3.476211 2.879064 3.937019 ESP Fit Center 2113 is at 3.262591 3.249065 3.937019 ESP Fit Center 2114 is at 2.835351 3.249065 3.937019 ESP Fit Center 2115 is at 2.621731 2.879064 3.937019 ESP Fit Center 2116 is at 2.835351 2.509063 3.937019 ESP Fit Center 2117 is at 3.262591 2.509063 3.937019 ESP Fit Center 2118 is at 3.882028 2.879064 3.795018 ESP Fit Center 2119 is at 3.770419 3.295593 3.795018 ESP Fit Center 2120 is at 3.465499 3.600513 3.795018 ESP Fit Center 2121 is at 3.048971 3.712121 3.795018 ESP Fit Center 2122 is at 2.632442 3.600513 3.795018 ESP Fit Center 2123 is at 2.327522 3.295593 3.795018 ESP Fit Center 2124 is at 2.215914 2.879064 3.795018 ESP Fit Center 2125 is at 2.327522 2.462536 3.795018 ESP Fit Center 2126 is at 2.632442 2.157616 3.795018 ESP Fit Center 2127 is at 3.048971 2.046008 3.795018 ESP Fit Center 2128 is at 3.465499 2.157616 3.795018 ESP Fit Center 2129 is at 3.770419 2.462536 3.795018 ESP Fit Center 2130 is at 4.246071 2.879064 3.566274 ESP Fit Center 2131 is at 4.173877 3.288497 3.566274 ESP Fit Center 2132 is at 3.966003 3.648546 3.566274 ESP Fit Center 2133 is at 3.647521 3.915784 3.566274 ESP Fit Center 2134 is at 3.256845 4.057978 3.566274 ESP Fit Center 2135 is at 2.841096 4.057978 3.566274 ESP Fit Center 2136 is at 2.450421 3.915784 3.566274 ESP Fit Center 2137 is at 2.131939 3.648546 3.566274 ESP Fit Center 2138 is at 1.924064 3.288497 3.566274 ESP Fit Center 2139 is at 1.851870 2.879064 3.566274 ESP Fit Center 2140 is at 1.924064 2.469632 3.566274 ESP Fit Center 2141 is at 2.131939 2.109583 3.566274 ESP Fit Center 2142 is at 4.173877 2.469632 3.566274 ESP Fit Center 2143 is at 4.550087 2.879064 3.262258 ESP Fit Center 2144 is at 4.489281 3.301978 3.262258 ESP Fit Center 2145 is at 4.311790 3.690629 3.262258 ESP Fit Center 2146 is at 4.031993 4.013532 3.262258 ESP Fit Center 2147 is at 3.672557 4.244528 3.262258 ESP Fit Center 2148 is at 3.262602 4.364902 3.262258 ESP Fit Center 2149 is at 2.835340 4.364902 3.262258 ESP Fit Center 2150 is at 2.425384 4.244528 3.262258 ESP Fit Center 2151 is at 2.065949 4.013532 3.262258 ESP Fit Center 2152 is at 1.786151 3.690629 3.262258 ESP Fit Center 2153 is at 1.608660 3.301978 3.262258 ESP Fit Center 2154 is at 1.547854 2.879064 3.262258 ESP Fit Center 2155 is at 1.608660 2.456151 3.262258 ESP Fit Center 2156 is at 4.728564 3.293047 2.898215 ESP Fit Center 2157 is at 4.580686 3.682970 2.898215 ESP Fit Center 2158 is at 4.343790 4.026174 2.898215 ESP Fit Center 2159 is at 4.031643 4.302711 2.898215 ESP Fit Center 2160 is at 3.662388 4.496512 2.898215 ESP Fit Center 2161 is at 3.257482 4.596312 2.898215 ESP Fit Center 2162 is at 2.840459 4.596312 2.898215 ESP Fit Center 2163 is at 2.435554 4.496512 2.898215 ESP Fit Center 2164 is at 2.066298 4.302711 2.898215 ESP Fit Center 2165 is at 1.754152 4.026174 2.898215 ESP Fit Center 2166 is at 1.517256 3.682970 2.898215 ESP Fit Center 2167 is at 1.369377 3.293047 2.898215 ESP Fit Center 2168 is at 1.319111 2.879064 2.898215 ESP Fit Center 2169 is at 4.735460 3.691235 2.492398 ESP Fit Center 2170 is at 4.512451 4.046151 2.492398 ESP Fit Center 2171 is at 4.216057 4.342545 2.492398 ESP Fit Center 2172 is at 3.861141 4.565553 2.492398 ESP Fit Center 2173 is at 3.465499 4.703994 2.492398 ESP Fit Center 2174 is at 3.048971 4.750926 2.492398 ESP Fit Center 2175 is at 2.632442 4.703994 2.492398 ESP Fit Center 2176 is at 2.236800 4.565553 2.492398 ESP Fit Center 2177 is at 1.881884 4.342545 2.492398 ESP Fit Center 2178 is at 1.585490 4.046151 2.492398 ESP Fit Center 2179 is at 1.362482 3.691235 2.492398 ESP Fit Center 2180 is at 1.224041 3.295593 2.492398 ESP Fit Center 2181 is at 1.177109 2.879064 2.492398 ESP Fit Center 2182 is at 4.577469 4.040999 2.065158 ESP Fit Center 2183 is at 4.291952 4.342415 2.065158 ESP Fit Center 2184 is at 3.948315 4.575407 2.065158 ESP Fit Center 2185 is at 3.562625 4.729080 2.065158 ESP Fit Center 2186 is at 3.152917 4.796249 2.065158 ESP Fit Center 2187 is at 2.738349 4.773771 2.065158 ESP Fit Center 2188 is at 2.338306 4.662700 2.065158 ESP Fit Center 2189 is at 1.971492 4.468227 2.065158 ESP Fit Center 2190 is at 1.655059 4.199447 2.065158 ESP Fit Center 2191 is at 1.403805 3.868928 2.065158 ESP Fit Center 2192 is at 1.229477 3.492123 2.065158 ESP Fit Center 2193 is at 1.140226 3.086653 2.065158 ESP Fit Center 2194 is at 4.216057 4.342545 1.637918 ESP Fit Center 2195 is at 3.861141 4.565553 1.637918 ESP Fit Center 2196 is at 3.465499 4.703994 1.637918 ESP Fit Center 2197 is at 3.048971 4.750926 1.637918 ESP Fit Center 2198 is at 2.632442 4.703994 1.637918 ESP Fit Center 2199 is at 2.236800 4.565553 1.637918 ESP Fit Center 2200 is at 1.881884 4.342545 1.637918 ESP Fit Center 2201 is at 1.585490 4.046151 1.637918 ESP Fit Center 2202 is at 1.362482 3.691235 1.637918 ESP Fit Center 2203 is at 1.224041 3.295593 1.637918 ESP Fit Center 2204 is at 3.662388 4.496512 1.232101 ESP Fit Center 2205 is at 3.257482 4.596312 1.232101 ESP Fit Center 2206 is at 2.840459 4.596312 1.232101 ESP Fit Center 2207 is at 2.435554 4.496512 1.232101 ESP Fit Center 2208 is at 2.066298 4.302711 1.232101 ESP Fit Center 2209 is at 1.754152 4.026174 1.232101 ESP Fit Center 2210 is at 4.495555 3.968348 0.345778 ESP Fit Center 2211 is at 4.151918 4.201340 0.345778 ESP Fit Center 2212 is at 3.766228 4.355013 0.345778 ESP Fit Center 2213 is at 3.356520 4.422181 0.345778 ESP Fit Center 2214 is at 2.941952 4.399704 0.345778 ESP Fit Center 2215 is at 2.541908 4.288632 0.345778 ESP Fit Center 2216 is at 2.175094 4.094160 0.345778 ESP Fit Center 2217 is at 1.858662 3.825380 0.345778 ESP Fit Center 2218 is at 1.607408 3.494861 0.345778 ESP Fit Center 2219 is at 5.077504 2.921526 -0.081462 ESP Fit Center 2220 is at 4.939063 3.317167 -0.081462 ESP Fit Center 2221 is at 4.716054 3.672084 -0.081462 ESP Fit Center 2222 is at 4.419660 3.968477 -0.081462 ESP Fit Center 2223 is at 4.064744 4.191486 -0.081462 ESP Fit Center 2224 is at 3.669102 4.329927 -0.081462 ESP Fit Center 2225 is at 3.252574 4.376859 -0.081462 ESP Fit Center 2226 is at 2.836045 4.329927 -0.081462 ESP Fit Center 2227 is at 2.440403 4.191486 -0.081462 ESP Fit Center 2228 is at 2.085487 3.968477 -0.081462 ESP Fit Center 2229 is at 1.789093 3.672084 -0.081462 ESP Fit Center 2230 is at 4.982434 2.504997 -0.487279 ESP Fit Center 2231 is at 4.932167 2.918980 -0.487279 ESP Fit Center 2232 is at 4.784289 3.308903 -0.487279 ESP Fit Center 2233 is at 4.547393 3.652107 -0.487279 ESP Fit Center 2234 is at 4.235246 3.928644 -0.487279 ESP Fit Center 2235 is at 3.865991 4.122445 -0.487279 ESP Fit Center 2236 is at 3.461085 4.222245 -0.487279 ESP Fit Center 2237 is at 3.044062 4.222245 -0.487279 ESP Fit Center 2238 is at 2.639157 4.122445 -0.487279 ESP Fit Center 2239 is at 2.269901 3.928644 -0.487279 ESP Fit Center 2240 is at 1.957755 3.652107 -0.487279 ESP Fit Center 2241 is at 4.932167 2.091014 -0.487279 ESP Fit Center 2242 is at 4.753690 2.504997 -0.851322 ESP Fit Center 2243 is at 4.692884 2.927910 -0.851322 ESP Fit Center 2244 is at 4.515393 3.316562 -0.851322 ESP Fit Center 2245 is at 4.235596 3.639465 -0.851322 ESP Fit Center 2246 is at 3.876160 3.870461 -0.851322 ESP Fit Center 2247 is at 3.466205 3.990834 -0.851322 ESP Fit Center 2248 is at 3.038942 3.990834 -0.851322 ESP Fit Center 2249 is at 2.628987 3.870461 -0.851322 ESP Fit Center 2250 is at 4.515393 1.693432 -0.851322 ESP Fit Center 2251 is at 4.692884 2.082084 -0.851322 ESP Fit Center 2252 is at 4.449674 2.504997 -1.155338 ESP Fit Center 2253 is at 4.377480 2.914430 -1.155338 ESP Fit Center 2254 is at 4.169606 3.274478 -1.155338 ESP Fit Center 2255 is at 3.851124 3.541716 -1.155338 ESP Fit Center 2256 is at 3.460448 3.683911 -1.155338 ESP Fit Center 2257 is at 3.044699 3.683911 -1.155338 ESP Fit Center 2258 is at 4.169606 1.735516 -1.155338 ESP Fit Center 2259 is at 4.377480 2.095565 -1.155338 ESP Fit Center 2260 is at 4.085630 2.504997 -1.384082 ESP Fit Center 2261 is at 3.974022 2.921526 -1.384082 ESP Fit Center 2262 is at 3.669102 3.226445 -1.384082 ESP Fit Center 2263 is at 3.252574 3.338054 -1.384082 ESP Fit Center 2264 is at 3.974022 2.088469 -1.384082 ESP Fit Center 2265 is at 4.719574 1.727806 3.428304 ESP Fit Center 2266 is at 4.505954 1.357805 3.428304 ESP Fit Center 2267 is at 5.125391 1.727806 3.286303 ESP Fit Center 2268 is at 5.013782 2.144335 3.286303 ESP Fit Center 2269 is at 4.708862 2.449254 3.286303 ESP Fit Center 2270 is at 4.292334 0.894749 3.286303 ESP Fit Center 2271 is at 4.708862 1.006358 3.286303 ESP Fit Center 2272 is at 5.013782 1.311278 3.286303 ESP Fit Center 2273 is at 5.489434 1.727806 3.057559 ESP Fit Center 2274 is at 5.417240 2.137239 3.057559 ESP Fit Center 2275 is at 5.209366 2.497287 3.057559 ESP Fit Center 2276 is at 4.890884 2.764526 3.057559 ESP Fit Center 2277 is at 4.084459 0.548892 3.057559 ESP Fit Center 2278 is at 4.500208 0.548892 3.057559 ESP Fit Center 2279 is at 4.890884 0.691087 3.057559 ESP Fit Center 2280 is at 5.209366 0.958325 3.057559 ESP Fit Center 2281 is at 5.417240 1.318374 3.057559 ESP Fit Center 2282 is at 5.793450 1.727806 2.753543 ESP Fit Center 2283 is at 5.732644 2.150720 2.753543 ESP Fit Center 2284 is at 5.555153 2.539371 2.753543 ESP Fit Center 2285 is at 5.275356 2.862274 2.753543 ESP Fit Center 2286 is at 4.505965 0.241969 2.753543 ESP Fit Center 2287 is at 4.915920 0.362343 2.753543 ESP Fit Center 2288 is at 5.275356 0.593338 2.753543 ESP Fit Center 2289 is at 5.555153 0.916241 2.753543 ESP Fit Center 2290 is at 5.732644 1.304893 2.753543 ESP Fit Center 2291 is at 6.022194 1.727806 2.389499 ESP Fit Center 2292 is at 5.971927 2.141789 2.389499 ESP Fit Center 2293 is at 5.824049 2.531712 2.389499 ESP Fit Center 2294 is at 5.587153 2.874916 2.389499 ESP Fit Center 2295 is at 5.275006 3.151453 2.389499 ESP Fit Center 2296 is at 4.905751 0.110359 2.389499 ESP Fit Center 2297 is at 5.275006 0.304159 2.389499 ESP Fit Center 2298 is at 5.587153 0.580697 2.389499 ESP Fit Center 2299 is at 5.824049 0.923900 2.389499 ESP Fit Center 2300 is at 5.971927 1.313823 2.389499 ESP Fit Center 2301 is at 6.164195 1.727806 1.983683 ESP Fit Center 2302 is at 6.117264 2.144335 1.983683 ESP Fit Center 2303 is at 5.978823 2.539976 1.983683 ESP Fit Center 2304 is at 5.755814 2.894893 1.983683 ESP Fit Center 2305 is at 5.459420 3.191286 1.983683 ESP Fit Center 2306 is at 5.104504 0.041317 1.983683 ESP Fit Center 2307 is at 5.459420 0.264326 1.983683 ESP Fit Center 2308 is at 5.755814 0.560720 1.983683 ESP Fit Center 2309 is at 5.978823 0.915636 1.983683 ESP Fit Center 2310 is at 6.117264 1.311278 1.983683 ESP Fit Center 2311 is at 6.212334 1.727806 1.556443 ESP Fit Center 2312 is at 6.167445 2.140549 1.556443 ESP Fit Center 2313 is at 6.034879 2.533993 1.556443 ESP Fit Center 2314 is at 5.820832 2.889741 1.556443 ESP Fit Center 2315 is at 5.535315 3.191157 1.556443 ESP Fit Center 2316 is at 5.535315 0.264455 1.556443 ESP Fit Center 2317 is at 5.820832 0.565872 1.556443 ESP Fit Center 2318 is at 6.034879 0.921619 1.556443 ESP Fit Center 2319 is at 6.167445 1.315063 1.556443 ESP Fit Center 2320 is at 6.164195 1.727806 1.129202 ESP Fit Center 2321 is at 6.117264 2.144335 1.129202 ESP Fit Center 2322 is at 5.978823 2.539976 1.129202 ESP Fit Center 2323 is at 5.755814 2.894893 1.129202 ESP Fit Center 2324 is at 5.459420 3.191286 1.129202 ESP Fit Center 2325 is at 5.755814 0.560720 1.129202 ESP Fit Center 2326 is at 5.978823 0.915636 1.129202 ESP Fit Center 2327 is at 6.117264 1.311278 1.129202 ESP Fit Center 2328 is at 6.022194 1.727806 0.723386 ESP Fit Center 2329 is at 5.971927 2.141789 0.723386 ESP Fit Center 2330 is at 5.824049 2.531712 0.723386 ESP Fit Center 2331 is at 5.587153 2.874916 0.723386 ESP Fit Center 2332 is at 5.824049 0.923900 0.723386 ESP Fit Center 2333 is at 5.971927 1.313823 0.723386 ESP Fit Center 2334 is at 5.793450 1.727806 0.359342 ESP Fit Center 2335 is at 5.732644 2.150720 0.359342 ESP Fit Center 2336 is at 5.555153 2.539371 0.359342 ESP Fit Center 2337 is at 5.555153 0.916241 0.359342 ESP Fit Center 2338 is at 5.732644 1.304893 0.359342 ESP Fit Center 2339 is at 5.489434 1.727806 0.055326 ESP Fit Center 2340 is at 5.417240 2.137239 0.055326 ESP Fit Center 2341 is at 5.417240 1.318374 0.055326 ESP Fit Center 2342 is at 5.125391 1.727806 -0.173418 ESP Fit Center 2343 is at 5.013782 1.311278 -0.173418 ESP Fit Center 2344 is at 2.336892 1.077796 3.765325 ESP Fit Center 2345 is at 2.748491 1.077796 3.727184 ESP Fit Center 2346 is at 2.542692 1.434251 3.727184 ESP Fit Center 2347 is at 2.131093 1.434251 3.727184 ESP Fit Center 2348 is at 1.925293 1.077796 3.727184 ESP Fit Center 2349 is at 2.131093 0.721341 3.727184 ESP Fit Center 2350 is at 2.542692 0.721341 3.727184 ESP Fit Center 2351 is at 3.146074 1.077796 3.614063 ESP Fit Center 2352 is at 2.336892 1.886977 3.614063 ESP Fit Center 2353 is at 1.932302 1.778568 3.614063 ESP Fit Center 2354 is at 1.636121 1.482387 3.614063 ESP Fit Center 2355 is at 1.527711 1.077796 3.614063 ESP Fit Center 2356 is at 1.636121 0.673205 3.614063 ESP Fit Center 2357 is at 1.932302 0.377025 3.614063 ESP Fit Center 2358 is at 2.336892 0.268615 3.614063 ESP Fit Center 2359 is at 2.741483 0.377025 3.614063 ESP Fit Center 2360 is at 3.037664 0.673205 3.614063 ESP Fit Center 2361 is at 1.626261 2.018824 3.429811 ESP Fit Center 2362 is at 1.334309 1.698569 3.429811 ESP Fit Center 2363 is at 1.177762 1.294475 3.429811 ESP Fit Center 2364 is at 1.177762 0.861117 3.429811 ESP Fit Center 2365 is at 1.334309 0.457023 3.429811 ESP Fit Center 2366 is at 3.208338 0.283369 3.429811 ESP Fit Center 2367 is at 3.436471 0.651817 3.429811 ESP Fit Center 2368 is at 1.348656 2.218281 3.180705 ESP Fit Center 2369 is at 1.067375 1.893665 3.180705 ESP Fit Center 2370 is at 0.888942 1.502953 3.180705 ESP Fit Center 2371 is at 0.827814 1.077796 3.180705 ESP Fit Center 2372 is at 0.888942 0.652640 3.180705 ESP Fit Center 2373 is at 1.110195 2.378019 2.875226 ESP Fit Center 2374 is at 0.843409 2.060076 2.875226 ESP Fit Center 2375 is at 0.657137 1.689177 2.875226 ESP Fit Center 2376 is at 0.561420 1.285319 2.875226 ESP Fit Center 2377 is at 0.561420 0.870273 2.875226 ESP Fit Center 2378 is at 0.995174 2.567925 2.523779 ESP Fit Center 2379 is at 0.714679 2.256403 2.523779 ESP Fit Center 2380 is at 0.505082 1.893371 2.523779 ESP Fit Center 2381 is at 0.375544 1.494694 2.523779 ESP Fit Center 2382 is at 0.331726 1.077796 2.523779 ESP Fit Center 2383 is at 0.813438 2.601250 2.138330 ESP Fit Center 2384 is at 0.545500 2.274766 2.138330 ESP Fit Center 2385 is at 0.346404 1.902284 2.138330 ESP Fit Center 2386 is at 0.223801 1.498116 2.138330 ESP Fit Center 2387 is at 0.876262 2.763454 1.732006 ESP Fit Center 2388 is at 0.583644 2.456565 1.732006 ESP Fit Center 2389 is at 0.354394 2.099845 1.732006 ESP Fit Center 2390 is at 0.196796 1.706185 1.732006 ESP Fit Center 2391 is at 0.876262 2.763454 1.318644 ESP Fit Center 2392 is at 0.583644 2.456565 1.318644 ESP Fit Center 2393 is at 0.813438 2.601250 0.912320 ESP Fit Center 2394 is at 2.247862 -0.259519 3.611808 ESP Fit Center 2395 is at 2.657729 -0.259519 3.582494 ESP Fit Center 2396 is at 2.452796 0.095436 3.582494 ESP Fit Center 2397 is at 2.042929 0.095436 3.582494 ESP Fit Center 2398 is at 1.837996 -0.259519 3.582494 ESP Fit Center 2399 is at 2.042929 -0.614474 3.582494 ESP Fit Center 2400 is at 2.452796 -0.614474 3.582494 ESP Fit Center 2401 is at 3.059252 -0.259519 3.495148 ESP Fit Center 2402 is at 2.950547 0.146176 3.495148 ESP Fit Center 2403 is at 1.545178 0.146176 3.495148 ESP Fit Center 2404 is at 1.436473 -0.259519 3.495148 ESP Fit Center 2405 is at 2.247862 -1.070909 3.495148 ESP Fit Center 2406 is at 2.653557 -0.962203 3.495148 ESP Fit Center 2407 is at 2.950547 -0.665214 3.495148 ESP Fit Center 2408 is at 3.444258 -0.259519 3.351548 ESP Fit Center 2409 is at 3.372106 0.149672 3.351548 ESP Fit Center 2410 is at 1.123619 0.149672 3.351548 ESP Fit Center 2411 is at 1.051467 -0.259519 3.351548 ESP Fit Center 2412 is at 2.846060 -1.295628 3.351548 ESP Fit Center 2413 is at 3.164354 -1.028547 3.351548 ESP Fit Center 2414 is at 3.372106 -0.668711 3.351548 ESP Fit Center 2415 is at 3.804908 -0.259519 3.154618 ESP Fit Center 2416 is at 3.747169 0.160567 3.154618 ESP Fit Center 2417 is at 0.819723 0.360809 3.154618 ESP Fit Center 2418 is at 0.705319 -0.047502 3.154618 ESP Fit Center 2419 is at 2.964205 -1.641997 3.154618 ESP Fit Center 2420 is at 3.310629 -1.397464 3.154618 ESP Fit Center 2421 is at 3.578232 -1.068535 3.154618 ESP Fit Center 2422 is at 3.747169 -0.679605 3.154618 ESP Fit Center 2423 is at 4.133861 -0.259519 2.908367 ESP Fit Center 2424 is at 4.086575 0.160155 2.908367 ESP Fit Center 2425 is at 0.548636 0.558785 2.908367 ESP Fit Center 2426 is at 0.409149 0.160155 2.908367 ESP Fit Center 2427 is at 3.423764 -1.734053 2.908367 ESP Fit Center 2428 is at 3.722396 -1.435420 2.908367 ESP Fit Center 2429 is at 3.947089 -1.077824 2.908367 ESP Fit Center 2430 is at 4.086575 -0.679194 2.908367 ESP Fit Center 2431 is at 4.424421 -0.259519 2.617807 ESP Fit Center 2432 is at 0.313260 0.737838 2.617807 ESP Fit Center 2433 is at 0.159470 0.353688 2.617807 ESP Fit Center 2434 is at 0.081159 -0.052624 2.617807 ESP Fit Center 2435 is at 3.510390 -2.032492 2.617807 ESP Fit Center 2436 is at 3.823112 -1.761517 2.617807 ESP Fit Center 2437 is at 4.078900 -1.436256 2.617807 ESP Fit Center 2438 is at 4.268510 -1.068464 2.617807 ESP Fit Center 2439 is at 4.385088 -0.671436 2.617807 ESP Fit Center 2440 is at 4.670673 -0.259519 2.288853 ESP Fit Center 2441 is at 0.040129 0.738439 2.288853 ESP Fit Center 2442 is at -0.096771 0.350976 2.288853 ESP Fit Center 2443 is at -0.166220 -0.054051 2.288853 ESP Fit Center 2444 is at 3.518159 -2.322613 2.288853 ESP Fit Center 2445 is at 3.848552 -2.078256 2.288853 ESP Fit Center 2446 is at 4.132895 -1.781577 2.288853 ESP Fit Center 2447 is at 4.363010 -1.441112 2.288853 ESP Fit Center 2448 is at 4.532276 -1.066654 2.288853 ESP Fit Center 2449 is at 4.635823 -0.668976 2.288853 ESP Fit Center 2450 is at 0.128448 1.280325 1.928203 ESP Fit Center 2451 is at -0.086343 0.929818 1.928203 ESP Fit Center 2452 is at -0.243658 0.550025 1.928203 ESP Fit Center 2453 is at -0.339624 0.150298 1.928203 ESP Fit Center 2454 is at -0.371878 -0.259519 1.928203 ESP Fit Center 2455 is at 1.058525 -2.593725 -0.464587 ESP Fit Center 2456 is at 1.438318 -2.751040 -0.464587 ESP Fit Center 2457 is at 1.838045 -2.847006 -0.464587 ESP Fit Center 2458 is at 3.951118 0.693005 -1.710473 ESP Fit Center 2459 is at 3.859758 0.276303 -2.110369 ESP Fit Center 2460 is at 3.827669 0.684042 -2.110369 ESP Fit Center 2461 is at 3.827669 -0.131435 -2.110369 ESP Fit Center 2462 is at 3.678183 0.276303 -2.487414 ESP Fit Center 2463 is at 3.643303 0.686109 -2.487414 ESP Fit Center 2464 is at 3.643303 -0.133502 -2.487414 ESP Fit Center 2465 is at 3.442440 0.276303 -2.833186 ESP Fit Center 2466 is at 3.402880 0.690599 -2.833186 ESP Fit Center 2467 is at -0.180262 1.930736 -2.833186 ESP Fit Center 2468 is at -0.467459 1.629533 -2.833186 ESP Fit Center 2469 is at 3.157795 0.276303 -3.139959 ESP Fit Center 2470 is at 3.113270 0.685711 -3.139959 ESP Fit Center 2471 is at 0.184540 1.852624 -3.139959 ESP Fit Center 2472 is at -0.129335 1.586016 -3.139959 ESP Fit Center 2473 is at -0.378559 1.258167 -3.139959 ESP Fit Center 2474 is at -0.551478 0.884408 -3.139959 ESP Fit Center 2475 is at -0.640008 0.482214 -3.139959 ESP Fit Center 2476 is at -0.640008 0.070393 -3.139959 ESP Fit Center 2477 is at -0.551478 -0.331801 -3.139959 ESP Fit Center 2478 is at 2.830608 0.276303 -3.400883 ESP Fit Center 2479 is at 2.776863 0.684538 -3.400883 ESP Fit Center 2480 is at 0.464664 1.642282 -3.400883 ESP Fit Center 2481 is at 0.137995 1.391620 -3.400883 ESP Fit Center 2482 is at -0.112667 1.064952 -3.400883 ESP Fit Center 2483 is at -0.270239 0.684538 -3.400883 ESP Fit Center 2484 is at -0.323984 0.276303 -3.400883 ESP Fit Center 2485 is at -0.270239 -0.131931 -3.400883 ESP Fit Center 2486 is at 2.394920 0.691815 -3.610127 ESP Fit Center 2487 is at 2.183960 1.057210 -3.610127 ESP Fit Center 2488 is at 1.042351 1.472721 -3.610127 ESP Fit Center 2489 is at 0.645875 1.328416 -3.610127 ESP Fit Center 2490 is at 0.322664 1.057210 -3.610127 ESP Fit Center 2491 is at 0.111703 0.691815 -3.610127 ESP Fit Center 2492 is at 0.038437 0.276303 -3.610127 ESP Fit Center 2493 is at 0.111703 -0.139208 -3.610127 ESP Fit Center 2494 is at 1.968055 0.688961 -3.763018 ESP Fit Center 2495 is at 1.665969 0.991047 -3.763018 ESP Fit Center 2496 is at 1.253312 1.101618 -3.763018 ESP Fit Center 2497 is at 0.840655 0.991047 -3.763018 ESP Fit Center 2498 is at 0.538569 0.688961 -3.763018 ESP Fit Center 2499 is at 0.427997 0.276303 -3.763018 ESP Fit Center 2500 is at 1.461971 0.637712 -3.856140 ESP Fit Center 2501 is at 1.044653 0.637712 -3.856140 ESP Fit Center 2502 is at 0.835993 0.276303 -3.856140 ESP Fit Center 2503 is at 1.559494 -1.353908 3.620949 ESP Fit Center 2504 is at 1.971092 -1.353908 3.582809 ESP Fit Center 2505 is at 1.765293 -0.997452 3.582809 ESP Fit Center 2506 is at 1.353694 -0.997452 3.582809 ESP Fit Center 2507 is at 1.147895 -1.353908 3.582809 ESP Fit Center 2508 is at 1.353694 -1.710363 3.582809 ESP Fit Center 2509 is at 1.765293 -1.710363 3.582809 ESP Fit Center 2510 is at 2.368675 -1.353908 3.469687 ESP Fit Center 2511 is at 1.154903 -0.653136 3.469687 ESP Fit Center 2512 is at 0.858722 -0.949317 3.469687 ESP Fit Center 2513 is at 0.750312 -1.353908 3.469687 ESP Fit Center 2514 is at 0.858722 -1.758498 3.469687 ESP Fit Center 2515 is at 1.154903 -2.054679 3.469687 ESP Fit Center 2516 is at 1.559494 -2.163089 3.469687 ESP Fit Center 2517 is at 1.964084 -2.054679 3.469687 ESP Fit Center 2518 is at 2.260265 -1.758498 3.469687 ESP Fit Center 2519 is at 0.848862 -0.412879 3.285436 ESP Fit Center 2520 is at 0.556911 -0.733134 3.285436 ESP Fit Center 2521 is at 0.400364 -1.137229 3.285436 ESP Fit Center 2522 is at 0.400364 -1.570586 3.285436 ESP Fit Center 2523 is at 0.556911 -1.974681 3.285436 ESP Fit Center 2524 is at 0.848862 -2.294936 3.285436 ESP Fit Center 2525 is at 1.236788 -2.488100 3.285436 ESP Fit Center 2526 is at 1.668297 -2.528085 3.285436 ESP Fit Center 2527 is at 2.085112 -2.409491 3.285436 ESP Fit Center 2528 is at 2.430939 -2.148335 3.285436 ESP Fit Center 2529 is at 2.659072 -1.779887 3.285436 ESP Fit Center 2530 is at 0.289976 -0.538038 3.036329 ESP Fit Center 2531 is at 0.111544 -0.928751 3.036329 ESP Fit Center 2532 is at 0.050415 -1.353908 3.036329 ESP Fit Center 2533 is at 0.111544 -1.779064 3.036329 ESP Fit Center 2534 is at 0.289976 -2.169777 3.036329 ESP Fit Center 2535 is at 0.571257 -2.494393 3.036329 ESP Fit Center 2536 is at 0.932600 -2.726613 3.036329 ESP Fit Center 2537 is at 1.344729 -2.847626 3.036329 ESP Fit Center 2538 is at 1.774258 -2.847626 3.036329 ESP Fit Center 2539 is at 2.186387 -2.726613 3.036329 ESP Fit Center 2540 is at 2.547730 -2.494393 3.036329 ESP Fit Center 2541 is at 2.829011 -2.169777 3.036329 ESP Fit Center 2542 is at 0.066010 -0.371628 2.730851 ESP Fit Center 2543 is at -0.120262 -0.742526 2.730851 ESP Fit Center 2544 is at -0.215978 -1.146385 2.730851 ESP Fit Center 2545 is at -0.215978 -1.561430 2.730851 ESP Fit Center 2546 is at -0.120262 -1.965289 2.730851 ESP Fit Center 2547 is at 0.066010 -2.336187 2.730851 ESP Fit Center 2548 is at 0.332796 -2.654131 2.730851 ESP Fit Center 2549 is at 0.665714 -2.901979 2.730851 ESP Fit Center 2550 is at 1.046816 -3.066370 2.730851 ESP Fit Center 2551 is at 1.455556 -3.138442 2.730851 ESP Fit Center 2552 is at 1.869900 -3.114309 2.730851 ESP Fit Center 2553 is at 2.267509 -2.995273 2.730851 ESP Fit Center 2554 is at 2.626950 -2.787750 2.730851 ESP Fit Center 2555 is at 2.928843 -2.502928 2.730851 ESP Fit Center 2556 is at 3.156914 -2.156162 2.730851 ESP Fit Center 2557 is at -0.272317 -0.538333 2.379403 ESP Fit Center 2558 is at -0.401855 -0.937010 2.379403 ESP Fit Center 2559 is at -0.445672 -1.353908 2.379403 ESP Fit Center 2560 is at -0.401855 -1.770805 2.379403 ESP Fit Center 2561 is at -0.272317 -2.169482 2.379403 ESP Fit Center 2562 is at -0.062720 -2.532514 2.379403 ESP Fit Center 2563 is at 0.217776 -2.844036 2.379403 ESP Fit Center 2564 is at 0.556911 -3.090432 2.379403 ESP Fit Center 2565 is at 0.939863 -3.260933 2.379403 ESP Fit Center 2566 is at 1.349897 -3.348089 2.379403 ESP Fit Center 2567 is at 1.769090 -3.348089 2.379403 ESP Fit Center 2568 is at 2.179124 -3.260933 2.379403 ESP Fit Center 2569 is at 2.562076 -3.090432 2.379403 ESP Fit Center 2570 is at 2.901211 -2.844036 2.379403 ESP Fit Center 2571 is at 3.181707 -2.532514 2.379403 ESP Fit Center 2572 is at -0.430995 -0.529420 1.993955 ESP Fit Center 2573 is at -0.553598 -0.933587 1.993955 ESP Fit Center 2574 is at -0.594996 -1.353908 1.993955 ESP Fit Center 2575 is at -0.553598 -1.774228 1.993955 ESP Fit Center 2576 is at -0.430995 -2.178395 1.993955 ESP Fit Center 2577 is at -0.231899 -2.550878 1.993955 ESP Fit Center 2578 is at 0.036039 -2.877362 1.993955 ESP Fit Center 2579 is at 0.362523 -3.145300 1.993955 ESP Fit Center 2580 is at 0.735006 -3.344396 1.993955 ESP Fit Center 2581 is at 1.139174 -3.466999 1.993955 ESP Fit Center 2582 is at 1.559494 -3.508397 1.993955 ESP Fit Center 2583 is at 1.979814 -3.466999 1.993955 ESP Fit Center 2584 is at 2.383981 -3.344396 1.993955 ESP Fit Center 2585 is at 2.756464 -3.145300 1.993955 ESP Fit Center 2586 is at -0.580602 -1.982296 1.587631 ESP Fit Center 2587 is at -0.423005 -2.375956 1.587631 ESP Fit Center 2588 is at -0.193754 -2.732677 1.587631 ESP Fit Center 2589 is at 0.098863 -3.039565 1.587631 ESP Fit Center 2590 is at 0.444271 -3.285529 1.587631 ESP Fit Center 2591 is at 0.829987 -3.461679 1.587631 ESP Fit Center 2592 is at 1.242068 -3.561649 1.587631 ESP Fit Center 2593 is at 1.665622 -3.581826 1.587631 ESP Fit Center 2594 is at 2.085341 -3.521479 1.587631 ESP Fit Center 2595 is at 2.486054 -3.382791 1.587631 ESP Fit Center 2596 is at -0.423005 -2.375956 1.174268 ESP Fit Center 2597 is at -0.193754 -2.732677 1.174268 ESP Fit Center 2598 is at 0.098863 -3.039565 1.174268 ESP Fit Center 2599 is at 0.444271 -3.285529 1.174268 ESP Fit Center 2600 is at 0.829987 -3.461679 1.174268 ESP Fit Center 2601 is at 1.242068 -3.561649 1.174268 ESP Fit Center 2602 is at 1.665622 -3.581826 1.174268 ESP Fit Center 2603 is at 2.085341 -3.521479 1.174268 ESP Fit Center 2604 is at 0.036039 -2.877362 0.767944 ESP Fit Center 2605 is at 0.362523 -3.145300 0.767944 ESP Fit Center 2606 is at 0.735006 -3.344396 0.767944 ESP Fit Center 2607 is at 1.139174 -3.466999 0.767944 ESP Fit Center 2608 is at 1.559494 -3.508397 0.767944 ESP Fit Center 2609 is at 1.979814 -3.466999 0.767944 ESP Fit Center 2610 is at 0.556911 -3.090432 0.382495 ESP Fit Center 2611 is at 0.939863 -3.260933 0.382495 ESP Fit Center 2612 is at 1.349897 -3.348089 0.382495 ESP Fit Center 2613 is at 1.769090 -3.348089 0.382495 ESP Fit Center 2614 is at 0.665714 -2.901979 0.031048 ESP Fit Center 2615 is at 1.046816 -3.066370 0.031048 ESP Fit Center 2616 is at 1.455556 -3.138442 0.031048 ESP Fit Center 2617 is at 1.869900 -3.114309 0.031048 ESP Fit Center 2618 is at 0.932600 -2.726613 -0.274431 ESP Fit Center 2619 is at 1.344729 -2.847626 -0.274431 ESP Fit Center 2620 is at 4.889413 -0.504129 2.133671 ESP Fit Center 2621 is at 4.809784 -0.078150 2.133671 ESP Fit Center 2622 is at 4.581651 -1.298557 2.133671 ESP Fit Center 2623 is at 4.809784 -0.930108 2.133671 ESP Fit Center 2624 is at 5.219283 -0.504129 1.884565 ESP Fit Center 2625 is at 5.158155 -0.078973 1.884565 ESP Fit Center 2626 is at 5.158155 -0.929286 1.884565 ESP Fit Center 2627 is at 5.497764 -0.504129 1.579086 ESP Fit Center 2628 is at 5.449580 -0.091890 1.579086 ESP Fit Center 2629 is at 5.715371 -0.504129 1.227639 ESP Fit Center 2630 is at 5.671553 -0.087232 1.227639 ESP Fit Center 2631 is at 5.823297 -0.083809 0.842190 ESP Fit Center 2632 is at 5.700694 0.320358 0.842190 ESP Fit Center 2633 is at 5.780878 0.324843 0.435866 ESP Fit Center 2634 is at 5.586575 0.701740 0.435866 ESP Fit Center 2635 is at 5.780878 0.324843 0.022503 ESP Fit Center 2636 is at 5.586575 0.701740 0.022503 ESP Fit Center 2637 is at 5.324454 1.035054 0.022503 ESP Fit Center 2638 is at 5.700694 0.320358 -0.383820 ESP Fit Center 2639 is at 5.501598 0.692841 -0.383820 ESP Fit Center 2640 is at 5.233659 1.019325 -0.383820 ESP Fit Center 2641 is at 4.907175 1.287263 -0.383820 ESP Fit Center 2642 is at 5.542015 0.311445 -0.769269 ESP Fit Center 2643 is at 5.332418 0.674478 -0.769269 ESP Fit Center 2644 is at 5.051923 0.985999 -0.769269 ESP Fit Center 2645 is at 4.712788 1.232395 -0.769269 ESP Fit Center 2646 is at 5.307626 0.298125 -1.120717 ESP Fit Center 2647 is at 5.079555 0.644891 -1.120717 ESP Fit Center 2648 is at 4.777661 0.929713 -1.120717 ESP Fit Center 2649 is at 4.418221 1.137236 -1.120717 ESP Fit Center 2650 is at 4.020612 1.256272 -1.120717 ESP Fit Center 2651 is at 4.979723 0.311740 -1.426195 ESP Fit Center 2652 is at 4.698441 0.636356 -1.426195 ESP Fit Center 2653 is at 4.337099 0.868577 -1.426195 ESP Fit Center 2654 is at 4.581651 0.290298 -1.675302 ESP Fit Center 2655 is at 4.235824 0.551454 -1.675302 ESP Fit Center 2656 is at 4.114796 0.196642 -1.859553 ESP Fit Center 2657 is at 4.591479 -1.769296 2.097064 ESP Fit Center 2658 is at 4.995572 -1.769296 1.988788 ESP Fit Center 2659 is at 4.885599 -1.358871 1.988788 ESP Fit Center 2660 is at 4.885599 -2.179720 1.988788 ESP Fit Center 2661 is at 5.374723 -1.769296 1.811986 ESP Fit Center 2662 is at 5.302354 -1.358871 1.811986 ESP Fit Center 2663 is at 5.302354 -2.179720 1.811986 ESP Fit Center 2664 is at 5.492828 -0.967738 1.572032 ESP Fit Center 2665 is at 5.492828 -2.570853 1.572032 ESP Fit Center 2666 is at 5.660206 -2.185508 1.572032 ESP Fit Center 2667 is at 5.583101 -2.951065 1.276216 ESP Fit Center 2668 is at 5.606714 -3.275749 0.933525 ESP Fit Center 2669 is at 5.482904 -3.606378 0.554374 ESP Fit Center 2670 is at 5.294730 -3.850617 0.150281 ESP Fit Center 2671 is at 5.648366 -3.617184 0.150281 ESP Fit Center 2672 is at 4.995572 -4.024558 -0.266475 ESP Fit Center 2673 is at 5.374723 -3.847757 -0.266475 ESP Fit Center 2674 is at 5.717414 -3.607802 -0.266475 ESP Fit Center 2675 is at 2.045249 -2.794797 -0.683230 ESP Fit Center 2676 is at 2.262580 -3.158549 -0.683230 ESP Fit Center 2677 is at 4.491989 -4.111444 -0.683230 ESP Fit Center 2678 is at 4.905097 -4.017154 -0.683230 ESP Fit Center 2679 is at 5.294730 -3.850617 -0.683230 ESP Fit Center 2680 is at 5.648366 -3.617184 -0.683230 ESP Fit Center 2681 is at 5.482904 0.067787 -1.087323 ESP Fit Center 2682 is at 2.697841 -3.473709 -1.087323 ESP Fit Center 2683 is at 3.047092 -3.722410 -1.087323 ESP Fit Center 2684 is at 3.437099 -3.900520 -1.087323 ESP Fit Center 2685 is at 3.853766 -4.001603 -1.087323 ESP Fit Center 2686 is at 4.282033 -4.022003 -1.087323 ESP Fit Center 2687 is at 4.706422 -3.960986 -1.087323 ESP Fit Center 2688 is at 5.111593 -3.820754 -1.087323 ESP Fit Center 2689 is at 5.482904 -3.606378 -1.087323 ESP Fit Center 2690 is at 5.606714 -0.262842 -1.466475 ESP Fit Center 2691 is at 5.274154 -0.005422 -1.466475 ESP Fit Center 2692 is at 4.069451 -3.845089 -1.466475 ESP Fit Center 2693 is at 4.489460 -3.823788 -1.466475 ESP Fit Center 2694 is at 4.896584 -3.718377 -1.466475 ESP Fit Center 2695 is at 5.274154 -3.533170 -1.466475 ESP Fit Center 2696 is at 5.606714 -3.275749 -1.466475 ESP Fit Center 2697 is at 5.583101 -0.587526 -1.809165 ESP Fit Center 2698 is at 5.272603 -0.294587 -1.809165 ESP Fit Center 2699 is at 4.902919 -0.081149 -1.809165 ESP Fit Center 2700 is at 4.493977 0.041280 -1.809165 ESP Fit Center 2701 is at 4.902919 -3.457442 -1.809165 ESP Fit Center 2702 is at 5.272603 -3.244004 -1.809165 ESP Fit Center 2703 is at 5.583101 -2.951065 -1.809165 ESP Fit Center 2704 is at 5.660206 -1.353083 -2.104981 ESP Fit Center 2705 is at 5.492828 -0.967738 -2.104981 ESP Fit Center 2706 is at 5.227691 -0.641842 -2.104981 ESP Fit Center 2707 is at 4.884461 -0.399564 -2.104981 ESP Fit Center 2708 is at 4.488593 -0.258872 -2.104981 ESP Fit Center 2709 is at 5.492828 -2.570853 -2.104981 ESP Fit Center 2710 is at 5.660206 -2.185508 -2.104981 ESP Fit Center 2711 is at 2.169238 -2.899675 -1.272306 ESP Fit Center 2712 is at 2.420493 -3.230195 -1.272306 ESP Fit Center 2713 is at 2.736925 -3.498974 -1.272306 ESP Fit Center 2714 is at 3.103739 -3.693447 -1.272306 ESP Fit Center 2715 is at 2.350924 -3.076898 -1.699546 ESP Fit Center 2716 is at 2.647317 -3.373292 -1.699546 ESP Fit Center 2717 is at 3.002234 -3.596301 -1.699546 ESP Fit Center 2718 is at 3.397876 -3.734742 -1.699546 ESP Fit Center 2719 is at 3.814404 -3.781673 -1.699546 ESP Fit Center 2720 is at 4.230932 -3.734742 -1.699546 ESP Fit Center 2721 is at 4.022916 -0.192564 -2.105363 ESP Fit Center 2722 is at 2.519585 -3.056921 -2.105363 ESP Fit Center 2723 is at 2.831731 -3.333459 -2.105363 ESP Fit Center 2724 is at 3.200987 -3.527259 -2.105363 ESP Fit Center 2725 is at 3.605892 -3.627059 -2.105363 ESP Fit Center 2726 is at 4.022916 -3.627059 -2.105363 ESP Fit Center 2727 is at 4.427821 -3.527259 -2.105363 ESP Fit Center 2728 is at 4.797077 -3.333459 -2.105363 ESP Fit Center 2729 is at 5.109223 -3.056921 -2.105363 ESP Fit Center 2730 is at 5.315520 -1.909812 -2.469406 ESP Fit Center 2731 is at 5.254715 -1.486898 -2.469406 ESP Fit Center 2732 is at 5.077224 -1.098247 -2.469406 ESP Fit Center 2733 is at 4.797426 -0.775343 -2.469406 ESP Fit Center 2734 is at 4.437990 -0.544348 -2.469406 ESP Fit Center 2735 is at 4.028035 -0.423974 -2.469406 ESP Fit Center 2736 is at 2.831382 -3.044280 -2.469406 ESP Fit Center 2737 is at 3.190818 -3.275275 -2.469406 ESP Fit Center 2738 is at 3.600773 -3.395649 -2.469406 ESP Fit Center 2739 is at 4.028035 -3.395649 -2.469406 ESP Fit Center 2740 is at 4.437990 -3.275275 -2.469406 ESP Fit Center 2741 is at 4.797426 -3.044280 -2.469406 ESP Fit Center 2742 is at 5.077224 -2.721376 -2.469406 ESP Fit Center 2743 is at 5.254715 -2.332725 -2.469406 ESP Fit Center 2744 is at 5.011504 -1.909812 -2.773422 ESP Fit Center 2745 is at 4.939310 -1.500379 -2.773422 ESP Fit Center 2746 is at 4.731436 -1.140330 -2.773422 ESP Fit Center 2747 is at 4.412954 -0.873092 -2.773422 ESP Fit Center 2748 is at 4.022278 -0.730898 -2.773422 ESP Fit Center 2749 is at 3.606530 -0.730898 -2.773422 ESP Fit Center 2750 is at 2.897372 -2.679293 -2.773422 ESP Fit Center 2751 is at 3.215854 -2.946531 -2.773422 ESP Fit Center 2752 is at 3.606530 -3.088725 -2.773422 ESP Fit Center 2753 is at 4.022278 -3.088725 -2.773422 ESP Fit Center 2754 is at 4.412954 -2.946531 -2.773422 ESP Fit Center 2755 is at 4.731436 -2.679293 -2.773422 ESP Fit Center 2756 is at 4.939310 -2.319244 -2.773422 ESP Fit Center 2757 is at 4.647461 -1.909812 -3.002166 ESP Fit Center 2758 is at 4.535852 -1.493283 -3.002166 ESP Fit Center 2759 is at 4.230932 -1.188363 -3.002166 ESP Fit Center 2760 is at 3.814404 -1.076755 -3.002166 ESP Fit Center 2761 is at 3.092956 -2.326340 -3.002166 ESP Fit Center 2762 is at 3.397876 -2.631260 -3.002166 ESP Fit Center 2763 is at 3.814404 -2.742868 -3.002166 ESP Fit Center 2764 is at 4.230932 -2.631260 -3.002166 ESP Fit Center 2765 is at 4.535852 -2.326340 -3.002166 ESP Fit Center 2766 is at 4.241644 -1.909812 -3.144168 ESP Fit Center 2767 is at 4.028024 -1.539811 -3.144168 ESP Fit Center 2768 is at 3.600784 -1.539811 -3.144168 ESP Fit Center 2769 is at 3.387164 -1.909812 -3.144168 ESP Fit Center 2770 is at 3.600784 -2.279812 -3.144168 ESP Fit Center 2771 is at 4.028024 -2.279812 -3.144168 ESP Fit Center 2772 is at 3.814404 -1.909812 -3.192306 ESP Fit Center 2773 is at 5.678143 -1.714176 1.621054 ESP Fit Center 2774 is at 6.083959 -1.714176 1.479053 ESP Fit Center 2775 is at 5.972351 -1.297647 1.479053 ESP Fit Center 2776 is at 5.667431 -0.992728 1.479053 ESP Fit Center 2777 is at 5.972351 -2.130704 1.479053 ESP Fit Center 2778 is at 6.448003 -1.714176 1.250309 ESP Fit Center 2779 is at 6.375809 -1.304743 1.250309 ESP Fit Center 2780 is at 6.167935 -0.944695 1.250309 ESP Fit Center 2781 is at 5.849453 -0.677456 1.250309 ESP Fit Center 2782 is at 5.849453 -2.750895 1.250309 ESP Fit Center 2783 is at 6.167935 -2.483657 1.250309 ESP Fit Center 2784 is at 6.375809 -2.123608 1.250309 ESP Fit Center 2785 is at 6.752019 -1.714176 0.946293 ESP Fit Center 2786 is at 6.691213 -1.291262 0.946293 ESP Fit Center 2787 is at 6.513722 -0.902611 0.946293 ESP Fit Center 2788 is at 6.233925 -0.579708 0.946293 ESP Fit Center 2789 is at 5.874489 -0.348712 0.946293 ESP Fit Center 2790 is at 5.874489 -3.079639 0.946293 ESP Fit Center 2791 is at 6.233925 -2.848644 0.946293 ESP Fit Center 2792 is at 6.513722 -2.525741 0.946293 ESP Fit Center 2793 is at 6.691213 -2.137089 0.946293 ESP Fit Center 2794 is at 6.980763 -1.714176 0.582249 ESP Fit Center 2795 is at 6.930496 -1.300193 0.582249 ESP Fit Center 2796 is at 6.782618 -0.910270 0.582249 ESP Fit Center 2797 is at 6.545722 -0.567066 0.582249 ESP Fit Center 2798 is at 6.233575 -0.290529 0.582249 ESP Fit Center 2799 is at 5.864320 -3.331623 0.582249 ESP Fit Center 2800 is at 6.233575 -3.137823 0.582249 ESP Fit Center 2801 is at 6.545722 -2.861285 0.582249 ESP Fit Center 2802 is at 6.782618 -2.518082 0.582249 ESP Fit Center 2803 is at 6.930496 -2.128159 0.582249 ESP Fit Center 2804 is at 7.122764 -1.714176 0.176433 ESP Fit Center 2805 is at 7.075833 -1.297647 0.176433 ESP Fit Center 2806 is at 6.937392 -0.902006 0.176433 ESP Fit Center 2807 is at 6.714383 -0.547089 0.176433 ESP Fit Center 2808 is at 6.417989 -0.250696 0.176433 ESP Fit Center 2809 is at 6.063073 -0.027687 0.176433 ESP Fit Center 2810 is at 6.063073 -3.400665 0.176433 ESP Fit Center 2811 is at 6.417989 -3.177656 0.176433 ESP Fit Center 2812 is at 6.714383 -2.881262 0.176433 ESP Fit Center 2813 is at 6.937392 -2.526346 0.176433 ESP Fit Center 2814 is at 7.075833 -2.130704 0.176433 ESP Fit Center 2815 is at 7.170903 -1.714176 -0.250807 ESP Fit Center 2816 is at 7.126014 -1.301433 -0.250807 ESP Fit Center 2817 is at 6.993448 -0.907989 -0.250807 ESP Fit Center 2818 is at 6.779401 -0.552241 -0.250807 ESP Fit Center 2819 is at 6.493884 -0.250825 -0.250807 ESP Fit Center 2820 is at 6.150247 -0.017833 -0.250807 ESP Fit Center 2821 is at 6.150247 -3.410519 -0.250807 ESP Fit Center 2822 is at 6.493884 -3.177527 -0.250807 ESP Fit Center 2823 is at 6.779401 -2.876110 -0.250807 ESP Fit Center 2824 is at 6.993448 -2.520363 -0.250807 ESP Fit Center 2825 is at 7.126014 -2.126919 -0.250807 ESP Fit Center 2826 is at 7.122764 -1.714176 -0.678048 ESP Fit Center 2827 is at 7.075833 -1.297647 -0.678048 ESP Fit Center 2828 is at 6.937392 -0.902006 -0.678048 ESP Fit Center 2829 is at 6.714383 -0.547089 -0.678048 ESP Fit Center 2830 is at 6.417989 -0.250696 -0.678048 ESP Fit Center 2831 is at 6.063073 -0.027687 -0.678048 ESP Fit Center 2832 is at 5.667431 0.110754 -0.678048 ESP Fit Center 2833 is at 6.063073 -3.400665 -0.678048 ESP Fit Center 2834 is at 6.417989 -3.177656 -0.678048 ESP Fit Center 2835 is at 6.714383 -2.881262 -0.678048 ESP Fit Center 2836 is at 6.937392 -2.526346 -0.678048 ESP Fit Center 2837 is at 7.075833 -2.130704 -0.678048 ESP Fit Center 2838 is at 6.980763 -1.714176 -1.083864 ESP Fit Center 2839 is at 6.930496 -1.300193 -1.083864 ESP Fit Center 2840 is at 6.782618 -0.910270 -1.083864 ESP Fit Center 2841 is at 6.545722 -0.567066 -1.083864 ESP Fit Center 2842 is at 6.233575 -0.290529 -1.083864 ESP Fit Center 2843 is at 5.864320 -0.096728 -1.083864 ESP Fit Center 2844 is at 5.864320 -3.331623 -1.083864 ESP Fit Center 2845 is at 6.233575 -3.137823 -1.083864 ESP Fit Center 2846 is at 6.545722 -2.861285 -1.083864 ESP Fit Center 2847 is at 6.782618 -2.518082 -1.083864 ESP Fit Center 2848 is at 6.930496 -2.128159 -1.083864 ESP Fit Center 2849 is at 6.752019 -1.714176 -1.447908 ESP Fit Center 2850 is at 6.691213 -1.291262 -1.447908 ESP Fit Center 2851 is at 6.513722 -0.902611 -1.447908 ESP Fit Center 2852 is at 6.233925 -0.579708 -1.447908 ESP Fit Center 2853 is at 5.874489 -0.348712 -1.447908 ESP Fit Center 2854 is at 5.874489 -3.079639 -1.447908 ESP Fit Center 2855 is at 6.233925 -2.848644 -1.447908 ESP Fit Center 2856 is at 6.513722 -2.525741 -1.447908 ESP Fit Center 2857 is at 6.691213 -2.137089 -1.447908 ESP Fit Center 2858 is at 6.448003 -1.714176 -1.751924 ESP Fit Center 2859 is at 6.375809 -1.304743 -1.751924 ESP Fit Center 2860 is at 6.167935 -0.944695 -1.751924 ESP Fit Center 2861 is at 5.849453 -0.677456 -1.751924 ESP Fit Center 2862 is at 5.849453 -2.750895 -1.751924 ESP Fit Center 2863 is at 6.167935 -2.483657 -1.751924 ESP Fit Center 2864 is at 6.375809 -2.123608 -1.751924 ESP Fit Center 2865 is at 6.083959 -1.714176 -1.980668 ESP Fit Center 2866 is at 5.972351 -1.297647 -1.980668 ESP Fit Center 2867 is at 5.667431 -0.992728 -1.980668 ESP Fit Center 2868 is at 5.972351 -2.130704 -1.980668 ESP Fit Center 2869 is at 3.827948 -2.562245 2.297719 ESP Fit Center 2870 is at 4.255188 -2.562245 2.249581 ESP Fit Center 2871 is at 4.041568 -2.192244 2.249581 ESP Fit Center 2872 is at 3.400708 -2.562245 2.249581 ESP Fit Center 2873 is at 3.614328 -2.932246 2.249581 ESP Fit Center 2874 is at 4.041568 -2.932246 2.249581 ESP Fit Center 2875 is at 4.661005 -2.562245 2.107580 ESP Fit Center 2876 is at 4.549396 -2.145717 2.107580 ESP Fit Center 2877 is at 3.106500 -2.978774 2.107580 ESP Fit Center 2878 is at 3.411419 -3.283693 2.107580 ESP Fit Center 2879 is at 3.827948 -3.395302 2.107580 ESP Fit Center 2880 is at 4.244476 -3.283693 2.107580 ESP Fit Center 2881 is at 4.549396 -2.978774 2.107580 ESP Fit Center 2882 is at 5.025048 -2.562245 1.878836 ESP Fit Center 2883 is at 2.910916 -3.331726 1.878836 ESP Fit Center 2884 is at 3.229398 -3.598965 1.878836 ESP Fit Center 2885 is at 3.620074 -3.741159 1.878836 ESP Fit Center 2886 is at 4.035822 -3.741159 1.878836 ESP Fit Center 2887 is at 4.426498 -3.598965 1.878836 ESP Fit Center 2888 is at 4.744980 -3.331726 1.878836 ESP Fit Center 2889 is at 4.952854 -2.971678 1.878836 ESP Fit Center 2890 is at 2.565128 -3.373810 1.574820 ESP Fit Center 2891 is at 2.844926 -3.696713 1.574820 ESP Fit Center 2892 is at 3.204362 -3.927709 1.574820 ESP Fit Center 2893 is at 3.614317 -4.048082 1.574820 ESP Fit Center 2894 is at 4.041579 -4.048082 1.574820 ESP Fit Center 2895 is at 4.451534 -3.927709 1.574820 ESP Fit Center 2896 is at 4.810970 -3.696713 1.574820 ESP Fit Center 2897 is at 5.090767 -3.373810 1.574820 ESP Fit Center 2898 is at 5.268259 -2.985159 1.574820 ESP Fit Center 2899 is at 2.533129 -3.709355 1.210776 ESP Fit Center 2900 is at 2.845275 -3.985892 1.210776 ESP Fit Center 2901 is at 3.214531 -4.179693 1.210776 ESP Fit Center 2902 is at 3.619436 -4.279493 1.210776 ESP Fit Center 2903 is at 4.036459 -4.279493 1.210776 ESP Fit Center 2904 is at 4.441365 -4.179693 1.210776 ESP Fit Center 2905 is at 4.810620 -3.985892 1.210776 ESP Fit Center 2906 is at 5.122767 -3.709355 1.210776 ESP Fit Center 2907 is at 5.359663 -3.366151 1.210776 ESP Fit Center 2908 is at 2.364468 -3.729332 0.804960 ESP Fit Center 2909 is at 2.660861 -4.025725 0.804960 ESP Fit Center 2910 is at 3.015778 -4.248734 0.804960 ESP Fit Center 2911 is at 3.411419 -4.387175 0.804960 ESP Fit Center 2912 is at 3.827948 -4.434107 0.804960 ESP Fit Center 2913 is at 4.244476 -4.387175 0.804960 ESP Fit Center 2914 is at 4.640118 -4.248734 0.804960 ESP Fit Center 2915 is at 4.995034 -4.025725 0.804960 ESP Fit Center 2916 is at 5.291428 -3.729332 0.804960 ESP Fit Center 2917 is at 2.182782 -3.552109 0.377719 ESP Fit Center 2918 is at 2.434037 -3.882628 0.377719 ESP Fit Center 2919 is at 2.750469 -4.151408 0.377719 ESP Fit Center 2920 is at 3.117283 -4.345880 0.377719 ESP Fit Center 2921 is at 3.517326 -4.456952 0.377719 ESP Fit Center 2922 is at 3.931895 -4.479429 0.377719 ESP Fit Center 2923 is at 4.341602 -4.412261 0.377719 ESP Fit Center 2924 is at 4.727292 -4.258588 0.377719 ESP Fit Center 2925 is at 5.070930 -4.025596 0.377719 ESP Fit Center 2926 is at 2.141459 -3.374415 -0.049521 ESP Fit Center 2927 is at 2.364468 -3.729332 -0.049521 ESP Fit Center 2928 is at 2.660861 -4.025725 -0.049521 ESP Fit Center 2929 is at 3.015778 -4.248734 -0.049521 ESP Fit Center 2930 is at 3.411419 -4.387175 -0.049521 ESP Fit Center 2931 is at 3.827948 -4.434107 -0.049521 ESP Fit Center 2932 is at 4.244476 -4.387175 -0.049521 ESP Fit Center 2933 is at 4.640118 -4.248734 -0.049521 ESP Fit Center 2934 is at 4.995034 -4.025725 -0.049521 ESP Fit Center 2935 is at 2.296233 -3.366151 -0.455337 ESP Fit Center 2936 is at 2.533129 -3.709355 -0.455337 ESP Fit Center 2937 is at 2.845275 -3.985892 -0.455337 ESP Fit Center 2938 is at 3.214531 -4.179693 -0.455337 ESP Fit Center 2939 is at 3.619436 -4.279493 -0.455337 ESP Fit Center 2940 is at 4.036459 -4.279493 -0.455337 ESP Fit Center 2941 is at 4.441365 -4.179693 -0.455337 ESP Fit Center 2942 is at 2.844926 -3.696713 -0.819381 ESP Fit Center 2943 is at 3.204362 -3.927709 -0.819381 ESP Fit Center 2944 is at 3.614317 -4.048082 -0.819381 ESP Fit Center 2945 is at 1.587556 3.388512 -0.093666 ESP Fit Center 2946 is at 1.481897 3.598159 -0.445113 ESP Fit Center 2947 is at 2.111814 3.717069 -0.830562 ESP Fit Center 2948 is at 1.691494 3.758467 -0.830562 ESP Fit Center 2949 is at 1.271174 3.717069 -0.830562 ESP Fit Center 2950 is at 3.921938 1.603977 -1.236886 ESP Fit Center 2951 is at 2.618054 3.632861 -1.236886 ESP Fit Center 2952 is at 2.217341 3.771549 -1.236886 ESP Fit Center 2953 is at 1.797623 3.831895 -1.236886 ESP Fit Center 2954 is at 1.374068 3.811719 -1.236886 ESP Fit Center 2955 is at 0.961987 3.711749 -1.236886 ESP Fit Center 2956 is at 3.921938 1.603977 -1.650248 ESP Fit Center 2957 is at 3.881631 2.026092 -1.650248 ESP Fit Center 2958 is at 3.762167 2.432950 -1.650248 ESP Fit Center 2959 is at 3.567863 2.809847 -1.650248 ESP Fit Center 2960 is at 3.305742 3.143160 -1.650248 ESP Fit Center 2961 is at 2.985279 3.420844 -1.650248 ESP Fit Center 2962 is at 2.618054 3.632861 -1.650248 ESP Fit Center 2963 is at 2.217341 3.771549 -1.650248 ESP Fit Center 2964 is at 1.797623 3.831895 -1.650248 ESP Fit Center 2965 is at 1.374068 3.811719 -1.650248 ESP Fit Center 2966 is at 0.961987 3.711749 -1.650248 ESP Fit Center 2967 is at 3.881631 1.181863 -1.650248 ESP Fit Center 2968 is at 3.845983 1.603977 -2.056572 ESP Fit Center 2969 is at 3.804585 2.024297 -2.056572 ESP Fit Center 2970 is at 3.681982 2.428465 -2.056572 ESP Fit Center 2971 is at 3.482886 2.800947 -2.056572 ESP Fit Center 2972 is at 3.214948 3.127431 -2.056572 ESP Fit Center 2973 is at 2.888464 3.395370 -2.056572 ESP Fit Center 2974 is at 2.515981 3.594466 -2.056572 ESP Fit Center 2975 is at 2.111814 3.717069 -2.056572 ESP Fit Center 2976 is at 1.691494 3.758467 -2.056572 ESP Fit Center 2977 is at 1.271174 3.717069 -2.056572 ESP Fit Center 2978 is at 0.867006 3.594466 -2.056572 ESP Fit Center 2979 is at 0.494524 3.395370 -2.056572 ESP Fit Center 2980 is at 3.804585 1.183657 -2.056572 ESP Fit Center 2981 is at 3.696660 1.603977 -2.442021 ESP Fit Center 2982 is at 3.652842 2.020875 -2.442021 ESP Fit Center 2983 is at 3.523304 2.419552 -2.442021 ESP Fit Center 2984 is at 3.313707 2.782584 -2.442021 ESP Fit Center 2985 is at 3.033212 3.094106 -2.442021 ESP Fit Center 2986 is at 2.694077 3.340502 -2.442021 ESP Fit Center 2987 is at 2.311124 3.511003 -2.442021 ESP Fit Center 2988 is at 1.901091 3.598159 -2.442021 ESP Fit Center 2989 is at 1.481897 3.598159 -2.442021 ESP Fit Center 2990 is at 1.071863 3.511003 -2.442021 ESP Fit Center 2991 is at 0.688911 3.340502 -2.442021 ESP Fit Center 2992 is at 0.349776 3.094106 -2.442021 ESP Fit Center 2993 is at 0.069281 2.782584 -2.442021 ESP Fit Center 2994 is at 3.652842 1.187080 -2.442021 ESP Fit Center 2995 is at 3.479052 1.603977 -2.793469 ESP Fit Center 2996 is at 3.430868 2.016217 -2.793469 ESP Fit Center 2997 is at 3.288914 2.406232 -2.793469 ESP Fit Center 2998 is at 3.060843 2.752998 -2.793469 ESP Fit Center 2999 is at 2.758950 3.037819 -2.793469 ESP Fit Center 3000 is at 2.399510 3.245342 -2.793469 ESP Fit Center 3001 is at 2.001900 3.364379 -2.793469 ESP Fit Center 3002 is at 1.587556 3.388512 -2.793469 ESP Fit Center 3003 is at 1.178816 3.316440 -2.793469 ESP Fit Center 3004 is at 0.797714 3.152048 -2.793469 ESP Fit Center 3005 is at 0.464797 2.904200 -2.793469 ESP Fit Center 3006 is at 0.198010 2.586257 -2.793469 ESP Fit Center 3007 is at 0.011738 2.215358 -2.793469 ESP Fit Center 3008 is at 3.430868 1.191738 -2.793469 ESP Fit Center 3009 is at 3.200572 1.603977 -3.098947 ESP Fit Center 3010 is at 3.139444 2.029134 -3.098947 ESP Fit Center 3011 is at 2.961011 2.419847 -3.098947 ESP Fit Center 3012 is at 2.679730 2.744463 -3.098947 ESP Fit Center 3013 is at 2.318388 2.976683 -3.098947 ESP Fit Center 3014 is at 1.906258 3.097695 -3.098947 ESP Fit Center 3015 is at 1.476730 3.097695 -3.098947 ESP Fit Center 3016 is at 1.064600 2.976683 -3.098947 ESP Fit Center 3017 is at 0.703258 2.744463 -3.098947 ESP Fit Center 3018 is at 0.421976 2.419847 -3.098947 ESP Fit Center 3019 is at 0.243544 2.029134 -3.098947 ESP Fit Center 3020 is at 3.139444 1.178821 -3.098947 ESP Fit Center 3021 is at 2.870702 1.603977 -3.348054 ESP Fit Center 3022 is at 2.791073 2.029956 -3.348054 ESP Fit Center 3023 is at 2.562939 2.398405 -3.348054 ESP Fit Center 3024 is at 2.217112 2.659561 -3.348054 ESP Fit Center 3025 is at 1.800297 2.778155 -3.348054 ESP Fit Center 3026 is at 1.368788 2.738170 -3.348054 ESP Fit Center 3027 is at 0.980862 2.545006 -3.348054 ESP Fit Center 3028 is at 0.688911 2.224750 -3.348054 ESP Fit Center 3029 is at 0.532364 1.820656 -3.348054 ESP Fit Center 3030 is at 2.791073 1.177998 -3.348054 ESP Fit Center 3031 is at 2.500675 1.603977 -3.532305 ESP Fit Center 3032 is at 2.392265 2.008568 -3.532305 ESP Fit Center 3033 is at 2.096084 2.304749 -3.532305 ESP Fit Center 3034 is at 1.691494 2.413159 -3.532305 ESP Fit Center 3035 is at 1.286903 2.304749 -3.532305 ESP Fit Center 3036 is at 0.990722 2.008568 -3.532305 ESP Fit Center 3037 is at 0.882312 1.603977 -3.532305 ESP Fit Center 3038 is at 2.392265 1.199387 -3.532305 ESP Fit Center 3039 is at 2.103093 1.603977 -3.645427 ESP Fit Center 3040 is at 1.897293 1.960432 -3.645427 ESP Fit Center 3041 is at 1.485694 1.960432 -3.645427 ESP Fit Center 3042 is at 1.279895 1.603977 -3.645427 ESP Fit Center 3043 is at 1.897293 1.247522 -3.645427 ESP Fit Center 3044 is at 1.691494 1.603977 -3.683567 ESP Fit Center 3045 is at -0.456673 0.342612 1.701923 ESP Fit Center 3046 is at -0.873428 0.342612 1.665461 ESP Fit Center 3047 is at -0.665050 -0.018309 1.665461 ESP Fit Center 3048 is at -1.984994 0.552675 -2.536584 ESP Fit Center 3049 is at -1.584304 0.753036 -2.776538 ESP Fit Center 3050 is at -1.656673 0.342612 -2.776538 ESP Fit Center 3051 is at -0.867097 1.053488 -2.953340 ESP Fit Center 3052 is at -1.167548 0.753036 -2.953340 ESP Fit Center 3053 is at -1.277521 0.342612 -2.953340 ESP Fit Center 3054 is at -1.167548 -0.067812 -2.953340 ESP Fit Center 3055 is at -0.867097 -0.368263 -2.953340 ESP Fit Center 3056 is at -0.873428 0.342612 -3.061616 ESP Fit Center 3057 is at 1.281938 -2.825549 -0.980373 ESP Fit Center 3058 is at 1.701132 -2.825549 -0.980373 ESP Fit Center 3059 is at 1.071215 -2.944459 -1.365821 ESP Fit Center 3060 is at 1.491535 -2.985857 -1.365821 ESP Fit Center 3061 is at 1.911855 -2.944459 -1.365821 ESP Fit Center 3062 is at 0.762028 -2.939140 -1.772145 ESP Fit Center 3063 is at 1.174110 -3.039110 -1.772145 ESP Fit Center 3064 is at 1.597664 -3.059286 -1.772145 ESP Fit Center 3065 is at 2.017382 -2.998940 -1.772145 ESP Fit Center 3066 is at 0.376313 -2.762989 -2.185508 ESP Fit Center 3067 is at 0.762028 -2.939140 -2.185508 ESP Fit Center 3068 is at 1.174110 -3.039110 -2.185508 ESP Fit Center 3069 is at 1.597664 -3.059286 -2.185508 ESP Fit Center 3070 is at 2.017382 -2.998940 -2.185508 ESP Fit Center 3071 is at 2.418095 -2.860251 -2.185508 ESP Fit Center 3072 is at 3.604626 -0.411048 -2.591832 ESP Fit Center 3073 is at -0.031919 -2.354822 -2.591832 ESP Fit Center 3074 is at 0.294565 -2.622760 -2.591832 ESP Fit Center 3075 is at 0.667048 -2.821856 -2.591832 ESP Fit Center 3076 is at 1.071215 -2.944459 -2.591832 ESP Fit Center 3077 is at 1.491535 -2.985857 -2.591832 ESP Fit Center 3078 is at 1.911855 -2.944459 -2.591832 ESP Fit Center 3079 is at 2.316022 -2.821856 -2.591832 ESP Fit Center 3080 is at 3.496701 -0.831368 -2.977280 ESP Fit Center 3081 is at 3.452883 -0.414470 -2.977280 ESP Fit Center 3082 is at 3.323345 -0.015793 -2.977280 ESP Fit Center 3083 is at -0.513631 -0.831368 -2.977280 ESP Fit Center 3084 is at -0.469813 -1.248265 -2.977280 ESP Fit Center 3085 is at -0.340275 -1.646942 -2.977280 ESP Fit Center 3086 is at -0.130678 -2.009975 -2.977280 ESP Fit Center 3087 is at 0.149817 -2.321496 -2.977280 ESP Fit Center 3088 is at 0.488952 -2.567892 -2.977280 ESP Fit Center 3089 is at 0.871905 -2.738394 -2.977280 ESP Fit Center 3090 is at 1.281938 -2.825549 -2.977280 ESP Fit Center 3091 is at 1.701132 -2.825549 -2.977280 ESP Fit Center 3092 is at 2.111165 -2.738394 -2.977280 ESP Fit Center 3093 is at 2.494118 -2.567892 -2.977280 ESP Fit Center 3094 is at 2.833253 -2.321496 -2.977280 ESP Fit Center 3095 is at 3.279094 -0.831368 -3.328728 ESP Fit Center 3096 is at 3.230910 -0.419128 -3.328728 ESP Fit Center 3097 is at 3.088956 -0.029113 -3.328728 ESP Fit Center 3098 is at -0.283937 -0.623845 -3.328728 ESP Fit Center 3099 is at -0.283937 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ESP Fit Center 3209 is at -1.876462 1.560546 -2.709633 ESP Fit Center 3210 is at -1.766489 1.150122 -2.709633 ESP Fit Center 3211 is at -0.638858 1.560546 -2.817909 ESP Fit Center 3212 is at -0.847236 1.921467 -2.817909 ESP Fit Center 3213 is at -1.263991 1.921467 -2.817909 ESP Fit Center 3214 is at -1.472369 1.560546 -2.817909 ESP Fit Center 3215 is at -1.263991 1.199625 -2.817909 ESP Fit Center 3216 is at -1.055613 1.560546 -2.854370 ESP Fit Center 3217 is at -2.404704 1.608064 2.264873 ESP Fit Center 3218 is at -1.987949 1.608064 2.228412 ESP Fit Center 3219 is at -2.196326 1.968985 2.228412 ESP Fit Center 3220 is at -2.613082 1.968985 2.228412 ESP Fit Center 3221 is at -2.821460 1.608064 2.228412 ESP Fit Center 3222 is at -2.613082 1.247143 2.228412 ESP Fit Center 3223 is at -2.196326 1.247143 2.228412 ESP Fit Center 3224 is at -1.583856 1.608064 2.120135 ESP Fit Center 3225 is at -1.693829 2.018489 2.120135 ESP Fit Center 3226 is at -1.994280 2.318940 2.120135 ESP Fit Center 3227 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ESP Fit Center 3264 is at -3.115580 2.018489 -2.390389 ESP Fit Center 3265 is at -3.225553 1.608064 -2.390389 ESP Fit Center 3266 is at -3.115580 1.197640 -2.390389 ESP Fit Center 3267 is at -2.815128 0.897189 -2.390389 ESP Fit Center 3268 is at -2.404704 0.787216 -2.390389 ESP Fit Center 3269 is at -2.613082 1.968985 -2.498665 ESP Fit Center 3270 is at -2.821460 1.608064 -2.498665 ESP Fit Center 3271 is at -2.613082 1.247143 -2.498665 ESP Fit Center 3272 is at -2.404704 1.608064 -2.535127 ESP Fit Center 3273 is at -3.143717 0.437519 2.347269 ESP Fit Center 3274 is at -2.726961 0.437519 2.310807 ESP Fit Center 3275 is at -2.935339 0.798440 2.310807 ESP Fit Center 3276 is at -3.352094 0.798440 2.310807 ESP Fit Center 3277 is at -3.352094 0.076598 2.310807 ESP Fit Center 3278 is at -2.935339 0.076598 2.310807 ESP Fit Center 3279 is at -2.322868 0.437519 2.202531 ESP Fit Center 3280 is at -2.432841 0.847943 2.202531 ESP Fit Center 3281 is at -2.733292 1.148394 2.202531 ESP Fit Center 3282 is at -3.143717 1.258367 2.202531 ESP Fit Center 3283 is at -2.733292 -0.273357 2.202531 ESP Fit Center 3284 is at -2.432841 0.027094 2.202531 ESP Fit Center 3285 is at -1.943717 0.437519 2.025729 ESP Fit Center 3286 is at -2.016085 0.027094 2.025729 ESP Fit Center 3287 is at -1.658233 0.021306 1.785775 ESP Fit Center 3288 is at -4.558690 1.052128 -1.891238 ESP Fit Center 3289 is at -4.340399 -0.536055 -1.891238 ESP Fit Center 3290 is at -3.743717 1.476749 -2.131192 ESP Fit Center 3291 is at -4.062970 1.208864 -2.131192 ESP Fit Center 3292 is at -4.271348 0.847943 -2.131192 ESP Fit Center 3293 is at -4.343717 0.437519 -2.131192 ESP Fit Center 3294 is at -4.271348 0.027094 -2.131192 ESP Fit Center 3295 is at -4.062970 -0.333827 -2.131192 ESP Fit Center 3296 is at -3.554141 1.148394 -2.307994 ESP Fit Center 3297 is at -3.854592 0.847943 -2.307994 ESP Fit Center 3298 is at -3.964565 0.437519 -2.307994 ESP Fit Center 3299 is at -3.854592 0.027094 -2.307994 ESP Fit Center 3300 is at 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-0.779567 -1.552166 1.632740 ESP Fit Center 3337 is at -2.109244 -2.433484 -2.165213 ESP Fit Center 3338 is at -2.079630 -2.101622 -2.461029 ESP Fit Center 3339 is at -1.706606 -2.294908 -2.461029 ESP Fit Center 3340 is at -1.789991 0.197940 -2.700984 ESP Fit Center 3341 is at -2.109244 -0.069946 -2.700984 ESP Fit Center 3342 is at -2.317622 -0.430867 -2.700984 ESP Fit Center 3343 is at -2.389991 -0.841291 -2.700984 ESP Fit Center 3344 is at -2.317622 -1.251715 -2.700984 ESP Fit Center 3345 is at -2.109244 -1.612636 -2.700984 ESP Fit Center 3346 is at -1.789991 -1.880521 -2.700984 ESP Fit Center 3347 is at -1.398369 -2.023060 -2.700984 ESP Fit Center 3348 is at -1.600415 -0.130415 -2.877785 ESP Fit Center 3349 is at -1.900866 -0.430867 -2.877785 ESP Fit Center 3350 is at -2.010839 -0.841291 -2.877785 ESP Fit Center 3351 is at -1.900866 -1.251715 -2.877785 ESP Fit Center 3352 is at -1.600415 -1.552166 -2.877785 ESP Fit Center 3353 is at -1.189991 -1.662139 -2.877785 ESP Fit Center 3354 is at -0.779567 -1.552166 -2.877785 ESP Fit Center 3355 is at -0.773235 -0.841291 -2.986061 ESP Fit Center 3356 is at -0.981613 -0.480370 -2.986061 ESP Fit Center 3357 is at -1.398369 -0.480370 -2.986061 ESP Fit Center 3358 is at -1.606747 -0.841291 -2.986061 ESP Fit Center 3359 is at -1.398369 -1.202212 -2.986061 ESP Fit Center 3360 is at -0.981613 -1.202212 -2.986061 ESP Fit Center 3361 is at -1.189991 -0.841291 -3.022523 ESP Fit Center 3362 is at -2.651250 2.929609 1.914216 ESP Fit Center 3363 is at -3.078490 2.929609 1.914216 ESP Fit Center 3364 is at -2.448341 3.281057 1.772215 ESP Fit Center 3365 is at -2.864870 3.392665 1.772215 ESP Fit Center 3366 is at -3.281398 3.281057 1.772215 ESP Fit Center 3367 is at -1.947838 3.329090 1.543471 ESP Fit Center 3368 is at -2.266320 3.596328 1.543471 ESP Fit Center 3369 is at -2.656995 3.738522 1.543471 ESP Fit Center 3370 is at -3.072744 3.738522 1.543471 ESP Fit Center 3371 is at -3.463420 3.596328 1.543471 ESP Fit Center 3372 is at 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ESP Fit Center 3391 is at -1.621888 4.022960 0.042355 ESP Fit Center 3392 is at -1.965526 4.255952 0.042355 ESP Fit Center 3393 is at -2.351215 4.409625 0.042355 ESP Fit Center 3394 is at -2.760923 4.476793 0.042355 ESP Fit Center 3395 is at -3.175491 4.454316 0.042355 ESP Fit Center 3396 is at -3.575535 4.343244 0.042355 ESP Fit Center 3397 is at -3.942349 4.148771 0.042355 ESP Fit Center 3398 is at -4.258781 3.879992 0.042355 ESP Fit Center 3399 is at -1.697783 4.023089 -0.384885 ESP Fit Center 3400 is at -2.052699 4.246098 -0.384885 ESP Fit Center 3401 is at -2.448341 4.384539 -0.384885 ESP Fit Center 3402 is at -2.864870 4.431470 -0.384885 ESP Fit Center 3403 is at -3.281398 4.384539 -0.384885 ESP Fit Center 3404 is at -3.677040 4.246098 -0.384885 ESP Fit Center 3405 is at -4.031956 4.023089 -0.384885 ESP Fit Center 3406 is at -1.882197 3.983256 -0.790702 ESP Fit Center 3407 is at -2.251453 4.177056 -0.790702 ESP Fit Center 3408 is at -2.656358 4.276856 -0.790702 ESP Fit Center 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3499 is at -2.243617 -3.679729 -1.263987 ESP Fit Center 3500 is at -1.904482 -3.433333 -1.263987 ESP Fit Center 3501 is at -4.739683 -0.960925 -1.615435 ESP Fit Center 3502 is at -4.925956 -1.331823 -1.615435 ESP Fit Center 3503 is at -5.021672 -1.735682 -1.615435 ESP Fit Center 3504 is at -5.021672 -2.150727 -1.615435 ESP Fit Center 3505 is at -4.925956 -2.554585 -1.615435 ESP Fit Center 3506 is at -4.739683 -2.925484 -1.615435 ESP Fit Center 3507 is at -4.472897 -3.243427 -1.615435 ESP Fit Center 3508 is at -4.139979 -3.491276 -1.615435 ESP Fit Center 3509 is at -3.758878 -3.655667 -1.615435 ESP Fit Center 3510 is at -3.350137 -3.727739 -1.615435 ESP Fit Center 3511 is at -2.935794 -3.703606 -1.615435 ESP Fit Center 3512 is at -2.538184 -3.584570 -1.615435 ESP Fit Center 3513 is at -2.178744 -3.377047 -1.615435 ESP Fit Center 3514 is at -4.515717 -1.127335 -1.920913 ESP Fit Center 3515 is at -4.694150 -1.518048 -1.920913 ESP Fit Center 3516 is at -4.755278 -1.943204 -1.920913 ESP Fit Center 3517 is at -4.694150 -2.368361 -1.920913 ESP Fit Center 3518 is at -4.515717 -2.759074 -1.920913 ESP Fit Center 3519 is at -4.234436 -3.083690 -1.920913 ESP Fit Center 3520 is at -3.873094 -3.315910 -1.920913 ESP Fit Center 3521 is at -3.460964 -3.436922 -1.920913 ESP Fit Center 3522 is at -3.031436 -3.436922 -1.920913 ESP Fit Center 3523 is at -2.619306 -3.315910 -1.920913 ESP Fit Center 3524 is at -2.257964 -3.083690 -1.920913 ESP Fit Center 3525 is at -1.976683 -2.759074 -1.920913 ESP Fit Center 3526 is at -4.248783 -1.322431 -2.170019 ESP Fit Center 3527 is at -4.405330 -1.726526 -2.170019 ESP Fit Center 3528 is at -4.405330 -2.159883 -2.170019 ESP Fit Center 3529 is at -4.248783 -2.563977 -2.170019 ESP Fit Center 3530 is at -3.956832 -2.884233 -2.170019 ESP Fit Center 3531 is at -3.568906 -3.077397 -2.170019 ESP Fit Center 3532 is at -3.137396 -3.117382 -2.170019 ESP Fit Center 3533 is at -2.720582 -2.998788 -2.170019 ESP Fit Center 3534 is at -2.374755 -2.737632 -2.170019 ESP Fit Center 3535 is at -3.946972 -1.538614 -2.354271 ESP Fit Center 3536 is at -4.055381 -1.943204 -2.354271 ESP Fit Center 3537 is at -3.946972 -2.347795 -2.354271 ESP Fit Center 3538 is at -3.650791 -2.643976 -2.354271 ESP Fit Center 3539 is at -3.246200 -2.752386 -2.354271 ESP Fit Center 3540 is at -2.841609 -2.643976 -2.354271 ESP Fit Center 3541 is at -2.545428 -2.347795 -2.354271 ESP Fit Center 3542 is at -2.834601 -1.943204 -2.467393 ESP Fit Center 3543 is at -3.452000 -1.586749 -2.467393 ESP Fit Center 3544 is at -3.657799 -1.943204 -2.467393 ESP Fit Center 3545 is at -3.452000 -2.299660 -2.467393 ESP Fit Center 3546 is at -3.040401 -2.299660 -2.467393 ESP Fit Center 3547 is at -3.246200 -1.943204 -2.505533 ESP Fit Center 3548 is at -0.313432 -2.510347 0.905956 ESP Fit Center 3549 is at -0.522086 -2.967812 0.677212 ESP Fit Center 3550 is at -0.131410 -2.825618 0.677212 ESP Fit Center 3551 is at -0.943591 -3.274736 0.373196 ESP Fit Center 3552 is at -0.516329 -3.274736 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is at 0.128420 4.083283 0.307211 ESP Fit Center 3626 is at -0.276485 4.183083 0.307211 ESP Fit Center 3627 is at -0.693508 4.183083 0.307211 ESP Fit Center 3628 is at -1.098414 4.083283 0.307211 ESP Fit Center 3629 is at -1.467669 3.889483 0.307211 ESP Fit Center 3630 is at 0.978483 3.632922 -0.098606 ESP Fit Center 3631 is at 0.682090 3.929316 -0.098606 ESP Fit Center 3632 is at 0.327173 4.152325 -0.098606 ESP Fit Center 3633 is at -0.068468 4.290766 -0.098606 ESP Fit Center 3634 is at -0.484997 4.337697 -0.098606 ESP Fit Center 3635 is at -0.901525 4.290766 -0.098606 ESP Fit Center 3636 is at -1.297167 4.152325 -0.098606 ESP Fit Center 3637 is at 1.043502 3.627770 -0.525846 ESP Fit Center 3638 is at 0.757985 3.929187 -0.525846 ESP Fit Center 3639 is at 0.414347 4.162179 -0.525846 ESP Fit Center 3640 is at 0.028658 4.315852 -0.525846 ESP Fit Center 3641 is at -0.381050 4.383020 -0.525846 ESP Fit Center 3642 is at -0.795618 4.360543 -0.525846 ESP Fit Center 3643 is at -1.195662 4.249471 -0.525846 ESP Fit Center 3644 is at -1.562476 4.054999 -0.525846 ESP Fit Center 3645 is at 0.682090 3.929316 -0.953086 ESP Fit Center 3646 is at 0.327173 4.152325 -0.953086 ESP Fit Center 3647 is at -0.068468 4.290766 -0.953086 ESP Fit Center 3648 is at -0.484997 4.337697 -0.953086 ESP Fit Center 3649 is at -0.901525 4.290766 -0.953086 ESP Fit Center 3650 is at -1.297167 4.152325 -0.953086 ESP Fit Center 3651 is at -1.652083 3.929316 -0.953086 ESP Fit Center 3652 is at 0.497676 3.889483 -1.358903 ESP Fit Center 3653 is at 0.128420 4.083283 -1.358903 ESP Fit Center 3654 is at -0.276485 4.183083 -1.358903 ESP Fit Center 3655 is at -0.693508 4.183083 -1.358903 ESP Fit Center 3656 is at -1.098414 4.083283 -1.358903 ESP Fit Center 3657 is at -1.467669 3.889483 -1.358903 ESP Fit Center 3658 is at 0.498025 3.600304 -1.722947 ESP Fit Center 3659 is at 0.138589 3.831299 -1.722947 ESP Fit Center 3660 is at -0.271366 3.951673 -1.722947 ESP Fit Center 3661 is at -0.698628 3.951673 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Center 3680 is at -4.959936 0.384987 2.539667 ESP Fit Center 3681 is at -4.568314 0.527526 2.539667 ESP Fit Center 3682 is at -5.684930 0.113140 2.299712 ESP Fit Center 3683 is at -6.429974 2.904038 2.003896 ESP Fit Center 3684 is at -6.704364 2.577032 2.003896 ESP Fit Center 3685 is at -6.440553 3.210353 1.661206 ESP Fit Center 3686 is at -6.745363 2.920609 1.661206 ESP Fit Center 3687 is at -5.905938 3.697981 1.282054 ESP Fit Center 3688 is at -6.295945 3.519871 1.282054 ESP Fit Center 3689 is at -6.645197 3.271170 1.282054 ESP Fit Center 3690 is at -6.941070 2.960867 1.282054 ESP Fit Center 3691 is at -5.274354 3.927915 0.877961 ESP Fit Center 3692 is at -5.694251 3.871036 0.877961 ESP Fit Center 3693 is at -6.097244 3.740096 0.877961 ESP Fit Center 3694 is at -6.470381 3.539303 0.877961 ESP Fit Center 3695 is at -6.801667 3.275110 0.877961 ESP Fit Center 3696 is at -7.080457 2.956010 0.877961 ESP Fit Center 3697 is at -4.347466 3.822019 0.461206 ESP Fit Center 3698 is at -4.751559 3.930295 0.461206 ESP Fit Center 3699 is at -5.168314 3.966756 0.461206 ESP Fit Center 3700 is at -5.585070 3.930295 0.461206 ESP Fit Center 3701 is at -5.989163 3.822019 0.461206 ESP Fit Center 3702 is at -6.368314 3.645217 0.461206 ESP Fit Center 3703 is at -6.711004 3.405263 0.461206 ESP Fit Center 3704 is at -7.006821 3.109447 0.461206 ESP Fit Center 3705 is at -6.470381 3.539303 0.044450 ESP Fit Center 3706 is at -6.801667 3.275110 0.044450 ESP Fit Center 3707 is at -7.080457 2.956010 0.044450 ESP Fit Center 3708 is at -6.941070 2.960867 -0.359643 ESP Fit Center 3709 is at -7.172871 2.600177 -0.359643 ESP Fit Center 3710 is at -7.151455 2.188971 -0.738794 ESP Fit Center 3711 is at -6.440553 -0.076840 -0.738794 ESP Fit Center 3712 is at -6.994390 1.780194 -1.081485 ESP Fit Center 3713 is at -6.994390 1.353319 -1.081485 ESP Fit Center 3714 is at -6.704364 0.556481 -1.081485 ESP Fit Center 3715 is at -6.429974 0.229475 -1.081485 ESP Fit Center 3716 is at -6.696636 1.356693 -1.377301 ESP Fit Center 3717 is at -6.583287 0.952147 -1.377301 ESP Fit Center 3718 is at -6.364996 0.593183 -1.377301 ESP Fit Center 3719 is at -6.057953 0.306425 -1.377301 ESP Fit Center 3720 is at -6.295945 1.156332 -1.617255 ESP Fit Center 3721 is at -6.087568 0.795411 -1.617255 ESP Fit Center 3722 is at -5.768314 0.527526 -1.617255 ESP Fit Center 3723 is at -5.578738 0.855881 -1.794057 ESP Fit Center 3724 is at -3.437566 -2.509425 3.411928 ESP Fit Center 3725 is at -3.020810 -2.509425 3.375467 ESP Fit Center 3726 is at -3.645943 -2.870346 3.375467 ESP Fit Center 3727 is at -3.229188 -2.870346 3.375467 ESP Fit Center 3728 is at -2.726690 -2.099001 3.267191 ESP Fit Center 3729 is at -4.148441 -2.919849 3.267191 ESP Fit Center 3730 is at -3.847990 -3.220300 3.267191 ESP Fit Center 3731 is at -3.437566 -3.330273 3.267191 ESP Fit Center 3732 is at -3.027141 -3.220300 3.267191 ESP Fit Center 3733 is at -4.356819 -3.280770 3.090389 ESP Fit Center 3734 is at -4.037566 -3.548655 3.090389 ESP Fit Center 3735 is at -3.645943 -3.691194 3.090389 ESP Fit Center 3736 is at -3.229188 -3.691194 3.090389 ESP Fit Center 3737 is at -2.384597 -1.381971 2.850435 ESP Fit Center 3738 is at -4.852538 -3.124034 2.850435 ESP Fit Center 3739 is at -4.634248 -3.482998 2.850435 ESP Fit Center 3740 is at -4.327205 -3.769756 2.850435 ESP Fit Center 3741 is at -3.954181 -3.963042 2.850435 ESP Fit Center 3742 is at -3.542842 -4.048519 2.850435 ESP Fit Center 3743 is at -3.123696 -4.019848 2.850435 ESP Fit Center 3744 is at -2.339685 -1.034716 2.554619 ESP Fit Center 3745 is at -5.165197 -3.138231 2.554619 ESP Fit Center 3746 is at -4.973615 -3.519701 2.554619 ESP Fit Center 3747 is at -3.544465 -4.344821 2.554619 ESP Fit Center 3748 is at -3.118312 -4.320000 2.554619 ESP Fit Center 3749 is at -2.005575 -1.002971 2.211928 ESP Fit Center 3750 is at -2.338134 -0.745551 2.211928 ESP Fit Center 3751 is at -5.420707 -3.131639 2.211928 ESP Fit Center 3752 is at -3.122829 -4.563918 2.211928 ESP Fit Center 3753 is at -2.905867 -4.701115 1.832777 ESP Fit Center 3754 is at -5.791589 -2.721291 1.428684 ESP Fit Center 3755 is at -2.707192 -4.757284 1.428684 ESP Fit Center 3756 is at -5.801104 -2.092669 1.011928 ESP Fit Center 3757 is at -5.837566 -2.509425 1.011928 ESP Fit Center 3758 is at -2.616717 -4.764687 1.011928 ESP Fit Center 3759 is at -5.715929 -1.880636 0.595173 ESP Fit Center 3760 is at -5.791589 -2.297559 0.595173 ESP Fit Center 3761 is at -5.791589 -2.721291 0.595173 ESP Fit Center 3762 is at -2.317559 -4.590746 0.595173 ESP Fit Center 3763 is at -5.601474 -1.874044 0.191080 ESP Fit Center 3764 is at -5.682616 -2.295049 0.191080 ESP Fit Center 3765 is at -5.682616 -2.723801 0.191080 ESP Fit Center 3766 is at -2.500696 -4.560884 0.191080 ESP Fit Center 3767 is at -2.129385 -4.346507 0.191080 ESP Fit Center 3768 is at -1.805355 -4.065734 0.191080 ESP Fit Center 3769 is at -5.505363 -2.299150 -0.188072 ESP Fit Center 3770 is at -5.505363 -2.719699 -0.188072 ESP Fit Center 3771 is 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1.261647 2.163769 ESP Fit Center 3790 is at -7.308228 0.852214 2.163769 ESP Fit Center 3791 is at -7.100354 0.492165 2.163769 ESP Fit Center 3792 is at -6.781872 0.224927 2.163769 ESP Fit Center 3793 is at -6.391196 0.082733 2.163769 ESP Fit Center 3794 is at -6.806908 2.627110 1.859753 ESP Fit Center 3795 is at -7.166344 2.396115 1.859753 ESP Fit Center 3796 is at -7.446141 2.073211 1.859753 ESP Fit Center 3797 is at -7.623633 1.684560 1.859753 ESP Fit Center 3798 is at -7.684438 1.261647 1.859753 ESP Fit Center 3799 is at -7.623633 0.838733 1.859753 ESP Fit Center 3800 is at -7.446141 0.450082 1.859753 ESP Fit Center 3801 is at -7.166344 0.127178 1.859753 ESP Fit Center 3802 is at -6.806908 -0.103817 1.859753 ESP Fit Center 3803 is at -6.396953 -0.224191 1.859753 ESP Fit Center 3804 is at -5.969691 -0.224191 1.859753 ESP Fit Center 3805 is at -7.165995 2.685294 1.495710 ESP Fit Center 3806 is at -7.478141 2.408756 1.495710 ESP Fit Center 3807 is at -7.715037 2.065553 1.495710 ESP Fit Center 3808 is at -7.862916 1.675629 1.495710 ESP Fit Center 3809 is at -7.913182 1.261647 1.495710 ESP Fit Center 3810 is at -7.862916 0.847664 1.495710 ESP Fit Center 3811 is at -7.715037 0.457740 1.495710 ESP Fit Center 3812 is at -7.478141 0.114537 1.495710 ESP Fit Center 3813 is at -7.165995 -0.162001 1.495710 ESP Fit Center 3814 is at -6.796739 -0.355801 1.495710 ESP Fit Center 3815 is at -6.391834 -0.455601 1.495710 ESP Fit Center 3816 is at -7.350409 2.725127 1.089893 ESP Fit Center 3817 is at -7.646802 2.428733 1.089893 ESP Fit Center 3818 is at -7.869811 2.073817 1.089893 ESP Fit Center 3819 is at -8.008252 1.678175 1.089893 ESP Fit Center 3820 is at -8.055184 1.261647 1.089893 ESP Fit Center 3821 is at -8.008252 0.845118 1.089893 ESP Fit Center 3822 is at -7.869811 0.449476 1.089893 ESP Fit Center 3823 is at -7.646802 0.094560 1.089893 ESP Fit Center 3824 is at -7.350409 -0.201834 1.089893 ESP Fit Center 3825 is at -6.995492 -0.424843 1.089893 ESP Fit Center 3826 is at 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0.235413 ESP Fit Center 3845 is at -7.869811 0.449476 0.235413 ESP Fit Center 3846 is at -7.646802 0.094560 0.235413 ESP Fit Center 3847 is at -7.350409 -0.201834 0.235413 ESP Fit Center 3848 is at -6.995492 -0.424843 0.235413 ESP Fit Center 3849 is at -6.599850 -0.563284 0.235413 ESP Fit Center 3850 is at -7.478141 2.408756 -0.170404 ESP Fit Center 3851 is at -7.715037 2.065553 -0.170404 ESP Fit Center 3852 is at -7.862916 1.675629 -0.170404 ESP Fit Center 3853 is at -7.913182 1.261647 -0.170404 ESP Fit Center 3854 is at -7.862916 0.847664 -0.170404 ESP Fit Center 3855 is at -7.715037 0.457740 -0.170404 ESP Fit Center 3856 is at -7.478141 0.114537 -0.170404 ESP Fit Center 3857 is at -7.165995 -0.162001 -0.170404 ESP Fit Center 3858 is at -6.796739 -0.355801 -0.170404 ESP Fit Center 3859 is at -7.446141 2.073211 -0.534448 ESP Fit Center 3860 is at -7.623633 1.684560 -0.534448 ESP Fit Center 3861 is at -7.684438 1.261647 -0.534448 ESP Fit Center 3862 is at -7.623633 0.838733 -0.534448 ESP Fit Center 3863 is at -7.446141 0.450082 -0.534448 ESP Fit Center 3864 is at -7.166344 0.127178 -0.534448 ESP Fit Center 3865 is at -6.806908 -0.103817 -0.534448 ESP Fit Center 3866 is at -7.308228 1.671079 -0.838464 ESP Fit Center 3867 is at -7.380422 1.261647 -0.838464 ESP Fit Center 3868 is at -7.308228 0.852214 -0.838464 ESP Fit Center 3869 is at -7.100354 0.492165 -0.838464 ESP Fit Center 3870 is at -6.781872 0.224927 -0.838464 ESP Fit Center 3871 is at -7.016379 1.261647 -1.067207 ESP Fit Center 3872 is at -6.904770 0.845118 -1.067207 ESP Fit Center 3873 is at -4.339241 3.883255 0.006555 ESP Fit Center 3874 is at -4.734883 4.021696 0.006555 ESP Fit Center 3875 is at -5.151412 4.068628 0.006555 ESP Fit Center 3876 is at -5.567940 4.021696 0.006555 ESP Fit Center 3877 is at -5.963582 3.883255 0.006555 ESP Fit Center 3878 is at -6.318498 3.660246 0.006555 ESP Fit Center 3879 is at -4.252067 3.893109 -0.420685 ESP Fit Center 3880 is at -4.637757 4.046782 -0.420685 ESP Fit Center 3881 is at -5.047465 4.113950 -0.420685 ESP Fit Center 3882 is at -5.462033 4.091473 -0.420685 ESP Fit Center 3883 is at -5.862077 3.980401 -0.420685 ESP Fit Center 3884 is at -6.228891 3.785929 -0.420685 ESP Fit Center 3885 is at -6.545323 3.517149 -0.420685 ESP Fit Center 3886 is at -6.796577 3.186629 -0.420685 ESP Fit Center 3887 is at -4.339241 3.883255 -0.847926 ESP Fit Center 3888 is at -4.734883 4.021696 -0.847926 ESP Fit Center 3889 is at -5.151412 4.068628 -0.847926 ESP Fit Center 3890 is at -5.567940 4.021696 -0.847926 ESP Fit Center 3891 is at -5.963582 3.883255 -0.847926 ESP Fit Center 3892 is at -6.318498 3.660246 -0.847926 ESP Fit Center 3893 is at -6.614892 3.363853 -0.847926 ESP Fit Center 3894 is at -6.837901 3.008936 -0.847926 ESP Fit Center 3895 is at -6.976342 2.613294 -0.847926 ESP Fit Center 3896 is at -4.168739 3.620413 -1.253742 ESP Fit Center 3897 is at -4.537995 3.814213 -1.253742 ESP Fit Center 3898 is at -4.942900 3.914014 -1.253742 ESP Fit Center 3899 is at 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1.385201 -1.617786 ESP Fit Center 3918 is at -3.954311 2.196766 -1.921802 ESP Fit Center 3919 is at -4.026505 2.606198 -1.921802 ESP Fit Center 3920 is at -4.234379 2.966247 -1.921802 ESP Fit Center 3921 is at -4.552861 3.233485 -1.921802 ESP Fit Center 3922 is at -4.943537 3.375680 -1.921802 ESP Fit Center 3923 is at -5.359286 3.375680 -1.921802 ESP Fit Center 3924 is at -5.749962 3.233485 -1.921802 ESP Fit Center 3925 is at -6.068444 2.966247 -1.921802 ESP Fit Center 3926 is at -6.276318 2.606198 -1.921802 ESP Fit Center 3927 is at -6.348512 2.196766 -1.921802 ESP Fit Center 3928 is at -6.276318 1.787333 -1.921802 ESP Fit Center 3929 is at -6.068444 1.427285 -1.921802 ESP Fit Center 3930 is at -5.749962 1.160047 -1.921802 ESP Fit Center 3931 is at -5.359286 1.017852 -1.921802 ESP Fit Center 3932 is at -4.943537 1.017852 -1.921802 ESP Fit Center 3933 is at -4.552861 1.160047 -1.921802 ESP Fit Center 3934 is at -4.026505 1.787333 -1.921802 ESP Fit Center 3935 is at -4.318355 2.196766 -2.150546 ESP Fit Center 3936 is at -4.429963 2.613294 -2.150546 ESP Fit Center 3937 is at -4.734883 2.918214 -2.150546 ESP Fit Center 3938 is at -5.151412 3.029823 -2.150546 ESP Fit Center 3939 is at -5.567940 2.918214 -2.150546 ESP Fit Center 3940 is at -5.872860 2.613294 -2.150546 ESP Fit Center 3941 is at -5.984468 2.196766 -2.150546 ESP Fit Center 3942 is at -5.872860 1.780238 -2.150546 ESP Fit Center 3943 is at -5.567940 1.475318 -2.150546 ESP Fit Center 3944 is at -5.151412 1.363709 -2.150546 ESP Fit Center 3945 is at -4.734883 1.475318 -2.150546 ESP Fit Center 3946 is at -4.429963 1.780238 -2.150546 ESP Fit Center 3947 is at -4.724171 2.196766 -2.292547 ESP Fit Center 3948 is at -4.937791 2.566767 -2.292547 ESP Fit Center 3949 is at -5.365032 2.566767 -2.292547 ESP Fit Center 3950 is at -5.578652 2.196766 -2.292547 ESP Fit Center 3951 is at -5.365032 1.826765 -2.292547 ESP Fit Center 3952 is at -4.937791 1.826765 -2.292547 ESP Fit Center 3953 is at -5.151412 2.196766 -2.340685 ESP Fit Center 3954 is at -4.784480 2.119740 3.231221 ESP Fit Center 3955 is at -4.357240 2.119740 3.183083 ESP Fit Center 3956 is at -4.570860 2.489741 3.183083 ESP Fit Center 3957 is at -4.998100 2.489741 3.183083 ESP Fit Center 3958 is at -5.211720 2.119740 3.183083 ESP Fit Center 3959 is at -4.998100 1.749739 3.183083 ESP Fit Center 3960 is at -4.570860 1.749739 3.183083 ESP Fit Center 3961 is at -3.951423 2.119740 3.041082 ESP Fit Center 3962 is at -4.063032 2.536268 3.041082 ESP Fit Center 3963 is at -4.367952 2.841188 3.041082 ESP Fit Center 3964 is at -4.784480 2.952797 3.041082 ESP Fit Center 3965 is at -5.201008 2.841188 3.041082 ESP Fit Center 3966 is at -5.505928 2.536268 3.041082 ESP Fit Center 3967 is at -5.617537 2.119740 3.041082 ESP Fit Center 3968 is at -5.505928 1.703212 3.041082 ESP Fit Center 3969 is at -5.201008 1.398292 3.041082 ESP Fit Center 3970 is at -4.784480 1.286683 3.041082 ESP Fit Center 3971 is at -4.367952 1.398292 3.041082 ESP Fit Center 3972 is at 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ESP Fit Center 3991 is at -3.283363 2.119740 2.508322 ESP Fit Center 3992 is at -3.344169 2.542653 2.508322 ESP Fit Center 3993 is at -3.521660 2.931305 2.508322 ESP Fit Center 3994 is at -3.801458 3.254208 2.508322 ESP Fit Center 3995 is at -4.160894 3.485204 2.508322 ESP Fit Center 3996 is at -4.570849 3.605577 2.508322 ESP Fit Center 3997 is at -4.998111 3.605577 2.508322 ESP Fit Center 3998 is at -5.408066 3.485204 2.508322 ESP Fit Center 3999 is at -5.767502 3.254208 2.508322 ESP Fit Center 4000 is at -6.047299 2.931305 2.508322 ESP Fit Center 4001 is at -6.224791 2.542653 2.508322 ESP Fit Center 4002 is at -4.160894 0.754277 2.508322 ESP Fit Center 4003 is at -3.801458 0.985272 2.508322 ESP Fit Center 4004 is at -3.521660 1.308175 2.508322 ESP Fit Center 4005 is at -3.344169 1.696827 2.508322 ESP Fit Center 4006 is at -3.054620 2.119740 2.144278 ESP Fit Center 4007 is at -3.104886 2.533723 2.144278 ESP Fit Center 4008 is at -3.252765 2.923646 2.144278 ESP Fit Center 4009 is at -3.489661 3.266850 2.144278 ESP Fit Center 4010 is at -3.801807 3.543387 2.144278 ESP Fit Center 4011 is at -4.171063 3.737187 2.144278 ESP Fit Center 4012 is at -4.575968 3.836988 2.144278 ESP Fit Center 4013 is at -4.992992 3.836988 2.144278 ESP Fit Center 4014 is at -5.397897 3.737187 2.144278 ESP Fit Center 4015 is at -5.767153 3.543387 2.144278 ESP Fit Center 4016 is at -6.079299 3.266850 2.144278 ESP Fit Center 4017 is at -6.316195 2.923646 2.144278 ESP Fit Center 4018 is at -3.617393 3.583220 1.738462 ESP Fit Center 4019 is at -3.972310 3.806229 1.738462 ESP Fit Center 4020 is at -4.367952 3.944670 1.738462 ESP Fit Center 4021 is at -4.784480 3.991602 1.738462 ESP Fit Center 4022 is at -5.201008 3.944670 1.738462 ESP Fit Center 4023 is at -5.596650 3.806229 1.738462 ESP Fit Center 4024 is at -5.951567 3.583220 1.738462 ESP Fit Center 4025 is at -3.885136 3.816083 1.311221 ESP Fit Center 4026 is at -4.270825 3.969756 1.311221 ESP Fit Center 4027 is at -4.680533 4.036924 1.311221 ESP Fit Center 4028 is at -5.095101 4.014447 1.311221 ESP Fit Center 4029 is at -5.495145 3.903375 1.311221 ESP Fit Center 4030 is at -5.861959 3.708903 1.311221 ESP Fit Center 4031 is at -4.367952 3.944670 0.883981 ESP Fit Center 4032 is at -4.784480 3.991602 0.883981 ESP Fit Center 4033 is at -5.201008 3.944670 0.883981 ESP Fit Center 4034 is at -4.726208 -3.832924 2.592881 ESP Fit Center 4035 is at -4.421288 -4.137844 2.592881 ESP Fit Center 4036 is at -4.004760 -4.249452 2.592881 ESP Fit Center 4037 is at -5.201860 -3.416395 2.364137 ESP Fit Center 4038 is at -5.129666 -3.825828 2.364137 ESP Fit Center 4039 is at -4.921792 -4.185877 2.364137 ESP Fit Center 4040 is at -4.603310 -4.453115 2.364137 ESP Fit Center 4041 is at -4.212634 -4.595309 2.364137 ESP Fit Center 4042 is at -3.796885 -4.595309 2.364137 ESP Fit Center 4043 is at -5.505876 -3.416395 2.060121 ESP Fit Center 4044 is at -5.445070 -3.839309 2.060121 ESP Fit Center 4045 is at -5.267579 -4.227960 2.060121 ESP Fit Center 4046 is at -4.987782 -4.550864 2.060121 ESP Fit Center 4047 is at -4.628346 -4.781859 2.060121 ESP Fit Center 4048 is at -4.218391 -4.902233 2.060121 ESP Fit Center 4049 is at -3.791128 -4.902233 2.060121 ESP Fit Center 4050 is at -3.381173 -4.781859 2.060121 ESP Fit Center 4051 is at -5.734620 -3.416395 1.696077 ESP Fit Center 4052 is at -5.684353 -3.830378 1.696077 ESP Fit Center 4053 is at -5.536475 -4.220302 1.696077 ESP Fit Center 4054 is at -5.299578 -4.563505 1.696077 ESP Fit Center 4055 is at -4.987432 -4.840042 1.696077 ESP Fit Center 4056 is at -4.618176 -5.033843 1.696077 ESP Fit Center 4057 is at -4.213271 -5.133643 1.696077 ESP Fit Center 4058 is at -3.796248 -5.133643 1.696077 ESP Fit Center 4059 is at -3.391343 -5.033843 1.696077 ESP Fit Center 4060 is at -3.022087 -4.840042 1.696077 ESP Fit Center 4061 is at -5.829690 -2.999867 1.290261 ESP Fit Center 4062 is at -5.876621 -3.416395 1.290261 ESP Fit Center 4063 is at -5.829690 -3.832924 1.290261 ESP Fit Center 4064 is at -5.691249 -4.228566 1.290261 ESP Fit Center 4065 is at -5.468240 -4.583482 1.290261 ESP Fit Center 4066 is at -5.171846 -4.879876 1.290261 ESP Fit Center 4067 is at -4.816930 -5.102884 1.290261 ESP Fit Center 4068 is at -4.421288 -5.241326 1.290261 ESP Fit Center 4069 is at -4.004760 -5.288257 1.290261 ESP Fit Center 4070 is at -3.588231 -5.241326 1.290261 ESP Fit Center 4071 is at -3.192589 -5.102884 1.290261 ESP Fit Center 4072 is at -2.837673 -4.879876 1.290261 ESP Fit Center 4073 is at -5.824254 -2.803336 0.863021 ESP Fit Center 4074 is at -5.913504 -3.208807 0.863021 ESP Fit Center 4075 is at -5.913504 -3.623984 0.863021 ESP Fit Center 4076 is at -5.824254 -4.029454 0.863021 ESP Fit Center 4077 is at -5.649925 -4.406259 0.863021 ESP Fit Center 4078 is at -5.398671 -4.736778 0.863021 ESP Fit Center 4079 is at -5.082239 -5.005558 0.863021 ESP Fit Center 4080 is at -4.715425 -5.200031 0.863021 ESP Fit Center 4081 is at -4.315381 -5.311102 0.863021 ESP Fit Center 4082 is at -3.900813 -5.333580 0.863021 ESP Fit Center 4083 is at -3.491105 -5.266411 0.863021 ESP Fit Center 4084 is at -3.105415 -5.112739 0.863021 ESP Fit Center 4085 is at -2.761778 -4.879747 0.863021 ESP Fit Center 4086 is at -5.829690 -2.999867 0.435780 ESP Fit Center 4087 is at -5.876621 -3.416395 0.435780 ESP Fit Center 4088 is at -5.829690 -3.832924 0.435780 ESP Fit Center 4089 is at -5.691249 -4.228566 0.435780 ESP Fit Center 4090 is at -5.468240 -4.583482 0.435780 ESP Fit Center 4091 is at -5.171846 -4.879876 0.435780 ESP Fit Center 4092 is at -4.816930 -5.102884 0.435780 ESP Fit Center 4093 is at -4.421288 -5.241326 0.435780 ESP Fit Center 4094 is at -4.004760 -5.288257 0.435780 ESP Fit Center 4095 is at -3.588231 -5.241326 0.435780 ESP Fit Center 4096 is at -3.192589 -5.102884 0.435780 ESP Fit Center 4097 is at -2.837673 -4.879876 0.435780 ESP Fit Center 4098 is at -5.684353 -3.002413 0.029964 ESP Fit Center 4099 is at -5.734620 -3.416395 0.029964 ESP Fit Center 4100 is at -5.684353 -3.830378 0.029964 ESP Fit Center 4101 is at -5.536475 -4.220302 0.029964 ESP Fit Center 4102 is at -5.299578 -4.563505 0.029964 ESP Fit Center 4103 is at -4.987432 -4.840042 0.029964 ESP Fit Center 4104 is at -4.618176 -5.033843 0.029964 ESP Fit Center 4105 is at -4.213271 -5.133643 0.029964 ESP Fit Center 4106 is at -3.796248 -5.133643 0.029964 ESP Fit Center 4107 is at -3.391343 -5.033843 0.029964 ESP Fit Center 4108 is at -3.022087 -4.840042 0.029964 ESP Fit Center 4109 is at -5.445070 -2.993482 -0.334080 ESP Fit Center 4110 is at -5.505876 -3.416395 -0.334080 ESP Fit Center 4111 is at -5.445070 -3.839309 -0.334080 ESP Fit Center 4112 is at -5.267579 -4.227960 -0.334080 ESP Fit Center 4113 is at -4.987782 -4.550864 -0.334080 ESP Fit Center 4114 is at -4.628346 -4.781859 -0.334080 ESP Fit Center 4115 is at -4.218391 -4.902233 -0.334080 ESP Fit Center 4116 is at -3.791128 -4.902233 -0.334080 ESP Fit Center 4117 is at -3.381173 -4.781859 -0.334080 ESP Fit Center 4118 is at -3.021737 -4.550864 -0.334080 ESP Fit Center 4119 is at -5.201860 -3.416395 -0.638096 ESP Fit Center 4120 is at -5.129666 -3.825828 -0.638096 ESP Fit Center 4121 is at -4.921792 -4.185877 -0.638096 ESP Fit Center 4122 is at -4.603310 -4.453115 -0.638096 ESP Fit Center 4123 is at -4.212634 -4.595309 -0.638096 ESP Fit Center 4124 is at -3.796885 -4.595309 -0.638096 ESP Fit Center 4125 is at -3.406209 -4.453115 -0.638096 ESP Fit Center 4126 is at -4.837816 -3.416395 -0.866840 ESP Fit Center 4127 is at -4.726208 -3.832924 -0.866840 ESP Fit Center 4128 is at -4.421288 -4.137844 -0.866840 ESP Fit Center 4129 is at -4.004760 -4.249452 -0.866840 ESP Fit Center 4130 is at -3.588231 -4.137844 -0.866840 ESP Fit Center 4131 is at -3.992818 -1.838524 3.575327 ESP Fit Center 4132 is at -3.565578 -1.838524 3.527189 ESP Fit Center 4133 is at -3.779198 -1.468523 3.527189 ESP Fit Center 4134 is at -4.206438 -1.468523 3.527189 ESP Fit Center 4135 is at -4.420058 -1.838524 3.527189 ESP Fit Center 4136 is at -4.206438 -2.208525 3.527189 ESP Fit Center 4137 is at -3.779198 -2.208525 3.527189 ESP Fit Center 4138 is at -3.159761 -1.838524 3.385187 ESP Fit Center 4139 is at -3.271370 -1.421995 3.385187 ESP Fit Center 4140 is at -3.576290 -1.117075 3.385187 ESP Fit Center 4141 is at -3.992818 -1.005467 3.385187 ESP Fit Center 4142 is at -4.409347 -1.117075 3.385187 ESP Fit Center 4143 is at -4.714267 -1.421995 3.385187 ESP Fit Center 4144 is at -4.825875 -1.838524 3.385187 ESP Fit Center 4145 is at -4.714267 -2.255052 3.385187 ESP Fit Center 4146 is at -4.409347 -2.559972 3.385187 ESP Fit Center 4147 is at -3.992818 -2.671581 3.385187 ESP Fit Center 4148 is at -2.867912 -1.429091 3.156444 ESP Fit Center 4149 is at -3.075786 -1.069042 3.156444 ESP Fit Center 4150 is at -3.394268 -0.801804 3.156444 ESP Fit Center 4151 is at -3.784944 -0.659610 3.156444 ESP Fit Center 4152 is at -4.200693 -0.659610 3.156444 ESP Fit Center 4153 is at -4.591368 -0.801804 3.156444 ESP Fit Center 4154 is at -4.909850 -1.069042 3.156444 ESP Fit Center 4155 is at -5.117725 -1.429091 3.156444 ESP Fit Center 4156 is at -5.189919 -1.838524 3.156444 ESP Fit Center 4157 is at -5.117725 -2.247956 3.156444 ESP Fit Center 4158 is at -4.909850 -2.608005 3.156444 ESP Fit Center 4159 is at -4.591368 -2.875243 3.156444 ESP Fit Center 4160 is at -2.729999 -1.026959 2.852428 ESP Fit Center 4161 is at -3.009796 -0.704056 2.852428 ESP Fit Center 4162 is at -3.369232 -0.473060 2.852428 ESP Fit Center 4163 is at -3.779187 -0.352686 2.852428 ESP Fit Center 4164 is at -4.206449 -0.352686 2.852428 ESP Fit Center 4165 is at -4.616405 -0.473060 2.852428 ESP Fit Center 4166 is at -4.975840 -0.704056 2.852428 ESP Fit Center 4167 is at -5.255638 -1.026959 2.852428 ESP Fit Center 4168 is at -5.433129 -1.415610 2.852428 ESP Fit Center 4169 is at -5.493935 -1.838524 2.852428 ESP Fit Center 4170 is at -5.433129 -2.261437 2.852428 ESP Fit Center 4171 is at -5.255638 -2.650089 2.852428 ESP Fit Center 4172 is at -4.975840 -2.972992 2.852428 ESP Fit Center 4173 is at -2.697999 -0.691414 2.488384 ESP Fit Center 4174 is at -3.010146 -0.414877 2.488384 ESP Fit Center 4175 is at -3.379401 -0.221076 2.488384 ESP Fit Center 4176 is at -3.784307 -0.121276 2.488384 ESP Fit Center 4177 is at -4.201330 -0.121276 2.488384 ESP Fit Center 4178 is at -4.606235 -0.221076 2.488384 ESP Fit Center 4179 is at -4.975491 -0.414877 2.488384 ESP Fit Center 4180 is at -5.287637 -0.691414 2.488384 ESP Fit Center 4181 is at -5.524533 -1.034618 2.488384 ESP Fit Center 4182 is at -5.672412 -1.424541 2.488384 ESP Fit Center 4183 is at -5.722678 -1.838524 2.488384 ESP Fit Center 4184 is at -5.672412 -2.252506 2.488384 ESP Fit Center 4185 is at -5.524533 -2.642430 2.488384 ESP Fit Center 4186 is at -5.287637 -2.985633 2.488384 ESP Fit Center 4187 is at -5.456299 -0.671437 2.082567 ESP Fit Center 4188 is at -5.679307 -1.026353 2.082567 ESP Fit Center 4189 is at -5.817748 -1.421995 2.082567 ESP Fit Center 4190 is at -5.864680 -1.838524 2.082567 ESP Fit Center 4191 is at -5.817748 -2.255052 2.082567 ESP Fit Center 4192 is at -5.679307 -2.650694 2.082567 ESP Fit Center 4193 is at -5.812312 -1.225465 1.655327 ESP Fit Center 4194 is at -5.901563 -1.630935 1.655327 ESP Fit Center 4195 is at -5.901563 -2.046112 1.655327 ESP Fit Center 4196 is at -5.812312 -2.451583 1.655327 ESP Fit Center 4197 is at -5.817748 -1.421995 1.228087 ESP Fit Center 4198 is at -5.864680 -1.838524 1.228087 ESP Fit Center 4199 is at -5.817748 -2.255052 1.228087 ESP Fit Center 4200 is at -5.672412 -1.424541 0.822270 ESP Fit Center 4201 is at -2.484794 -2.748816 3.391676 ESP Fit Center 4202 is at -2.057554 -2.748816 3.343538 ESP Fit Center 4203 is at -2.271174 -2.378815 3.343538 ESP Fit Center 4204 is at -2.698414 -2.378815 3.343538 ESP Fit Center 4205 is at -2.912034 -2.748816 3.343538 ESP Fit Center 4206 is at -2.698414 -3.118817 3.343538 ESP Fit Center 4207 is at -2.271174 -3.118817 3.343538 ESP Fit Center 4208 is at -1.651737 -2.748816 3.201537 ESP Fit Center 4209 is at -1.763346 -2.332288 3.201537 ESP Fit Center 4210 is at -2.068266 -2.027368 3.201537 ESP Fit Center 4211 is at -2.484794 -1.915759 3.201537 ESP Fit Center 4212 is at -2.901322 -3.470264 3.201537 ESP Fit Center 4213 is at -2.484794 -3.581873 3.201537 ESP Fit Center 4214 is at -2.068266 -3.470264 3.201537 ESP Fit Center 4215 is at -1.763346 -3.165344 3.201537 ESP Fit Center 4216 is at -1.287694 -2.748816 2.972793 ESP Fit Center 4217 is at -1.359888 -2.339384 2.972793 ESP Fit Center 4218 is at -1.567762 -1.979335 2.972793 ESP Fit Center 4219 is at -1.886244 -1.712097 2.972793 ESP Fit Center 4220 is at -2.276920 -1.569902 2.972793 ESP Fit Center 4221 is at -2.692668 -3.927730 2.972793 ESP Fit Center 4222 is at -2.276920 -3.927730 2.972793 ESP Fit Center 4223 is at -1.886244 -3.785535 2.972793 ESP Fit Center 4224 is at -1.567762 -3.518297 2.972793 ESP Fit Center 4225 is at -1.359888 -3.158249 2.972793 ESP Fit Center 4226 is at -0.983678 -2.748816 2.668777 ESP Fit Center 4227 is at -1.044483 -2.325903 2.668777 ESP Fit Center 4228 is at -1.221974 -1.937251 2.668777 ESP Fit Center 4229 is at -1.501772 -1.614348 2.668777 ESP Fit Center 4230 is at -1.861208 -1.383353 2.668777 ESP Fit Center 4231 is at -2.698425 -4.234653 2.668777 ESP Fit Center 4232 is at -2.271163 -4.234653 2.668777 ESP Fit Center 4233 is at -1.861208 -4.114280 2.668777 ESP Fit Center 4234 is at -1.501772 -3.883284 2.668777 ESP Fit Center 4235 is at -1.221974 -3.560381 2.668777 ESP Fit Center 4236 is at -1.044483 -3.171729 2.668777 ESP Fit Center 4237 is at -0.754934 -2.748816 2.304733 ESP Fit Center 4238 is at -0.805200 -2.334833 2.304733 ESP Fit Center 4239 is at -0.953079 -1.944910 2.304733 ESP Fit Center 4240 is at -1.189975 -1.601707 2.304733 ESP Fit Center 4241 is at -1.502121 -1.325169 2.304733 ESP Fit Center 4242 is at -1.871377 -1.131369 2.304733 ESP Fit Center 4243 is at -2.693306 -4.466064 2.304733 ESP Fit Center 4244 is at -2.276282 -4.466064 2.304733 ESP Fit Center 4245 is at -1.871377 -4.366264 2.304733 ESP Fit Center 4246 is at -1.502121 -4.172463 2.304733 ESP Fit Center 4247 is at -1.189975 -3.895926 2.304733 ESP Fit Center 4248 is at -0.953079 -3.552722 2.304733 ESP Fit Center 4249 is at -0.805200 -3.162799 2.304733 ESP Fit Center 4250 is at -0.612932 -2.748816 1.898917 ESP Fit Center 4251 is at -0.659864 -2.332288 1.898917 ESP Fit Center 4252 is at -0.798305 -1.936646 1.898917 ESP Fit Center 4253 is at -1.021314 -1.581729 1.898917 ESP Fit Center 4254 is at -1.317707 -1.285336 1.898917 ESP Fit Center 4255 is at -2.484794 -4.620678 1.898917 ESP Fit Center 4256 is at -2.068266 -4.573746 1.898917 ESP Fit Center 4257 is at -1.672624 -4.435305 1.898917 ESP Fit Center 4258 is at -1.317707 -4.212296 1.898917 ESP Fit Center 4259 is at -1.021314 -3.915903 1.898917 ESP Fit Center 4260 is at -0.798305 -3.560986 1.898917 ESP Fit Center 4261 is at -0.659864 -3.165344 1.898917 ESP Fit Center 4262 is at -0.564794 -2.748816 1.471676 ESP Fit Center 4263 is at -0.609683 -2.336073 1.471676 ESP Fit Center 4264 is at -0.742249 -1.942629 1.471676 ESP Fit Center 4265 is at -2.380847 -4.666000 1.471676 ESP Fit Center 4266 is at -1.971140 -4.598832 1.471676 ESP Fit Center 4267 is at -1.585450 -4.445159 1.471676 ESP Fit Center 4268 is at -1.241812 -4.212167 1.471676 ESP Fit Center 4269 is at -0.956295 -3.910751 1.471676 ESP Fit Center 4270 is at -0.742249 -3.555003 1.471676 ESP Fit Center 4271 is at -0.609683 -3.161559 1.471676 ESP Fit Center 4272 is at -0.612932 -2.748816 1.044436 ESP Fit Center 4273 is at -2.068266 -4.573746 1.044436 ESP Fit Center 4274 is at -1.672624 -4.435305 1.044436 ESP Fit Center 4275 is at -1.317707 -4.212296 1.044436 ESP Fit Center 4276 is at -1.021314 -3.915903 1.044436 ESP Fit Center 4277 is at -0.798305 -3.560986 1.044436 ESP Fit Center 4278 is at -0.659864 -3.165344 1.044436 ESP Fit Center 4279 is at -1.871377 -4.366264 0.638620 ESP Fit Center 4280 is at -1.502121 -4.172463 0.638620 ESP Fit Center 4281 is at -1.189975 -3.895926 0.638620 ESP Fit Center 4282 is at -0.953079 -3.552722 0.638620 ESP Fit Center 4283 is at -0.805200 -3.162799 0.638620 ESP Fit Center 4284 is at -1.501772 -3.883284 0.274576 ESP Fit Center 4285 is at -1.221974 -3.560381 0.274576 ESP Fit Center 4286 is at 3.730094 2.116307 4.015959 ESP Fit Center 4287 is at 3.096535 1.750521 4.015959 ESP Fit Center 4288 is at 3.518908 1.750521 4.015959 ESP Fit Center 4289 is at 4.142067 2.116307 3.917054 ESP Fit Center 4290 is at 3.307721 1.281961 3.917054 ESP Fit Center 4291 is at 3.724894 1.393742 3.917054 ESP Fit Center 4292 is at 4.030286 1.699134 3.917054 ESP Fit Center 4293 is at 4.533495 2.116307 3.754919 ESP Fit Center 4294 is at 4.459572 2.535546 3.754919 ESP Fit Center 4295 is at 3.520575 0.909155 3.754919 ESP Fit Center 4296 is at 3.920608 1.054755 3.754919 ESP Fit Center 4297 is at 4.246719 1.328394 3.754919 ESP Fit Center 4298 is at 4.459572 1.697067 3.754919 ESP Fit Center 4299 is at 4.840665 2.527058 3.533547 ESP Fit Center 4300 is at 4.682121 2.909817 3.533547 ESP Fit Center 4301 is at 4.101231 0.741907 3.533547 ESP Fit Center 4302 is at 5.027840 2.944673 3.258389 ESP Fit Center 4303 is at 4.800385 3.306666 3.258389 ESP Fit Center 4304 is at 5.145310 3.297253 2.936221 ESP Fit Center 4305 is at 4.888607 3.623678 2.936221 ESP Fit Center 4306 is at 5.391134 3.319166 2.574975 ESP Fit Center 4307 is at 5.150608 3.662672 2.574975 ESP Fit Center 4308 is at 4.854087 3.959194 2.574975 ESP Fit Center 4309 is at 5.334118 3.693515 2.183547 ESP Fit Center 4310 is at 5.046880 4.005537 2.183547 ESP Fit Center 4311 is at 4.712203 4.266027 2.183547 ESP Fit Center 4312 is at 5.465174 3.683788 1.771574 ESP Fit Center 4313 is at 5.193404 4.001990 1.771574 ESP Fit Center 4314 is at 4.875202 4.273760 1.771574 ESP Fit Center 4315 is at 4.518404 4.492406 1.771574 ESP Fit Center 4316 is at 0.931622 3.326990 1.771574 ESP Fit Center 4317 is at 5.516130 3.669667 1.349201 ESP Fit Center 4318 is at 5.253129 3.988575 1.349201 ESP Fit Center 4319 is at 4.944530 4.263598 1.349201 ESP Fit Center 4320 is at 4.597565 4.488290 1.349201 ESP Fit Center 4321 is at 4.220367 4.657385 1.349201 ESP Fit Center 4322 is at 3.821777 4.766919 1.349201 ESP Fit Center 4323 is at 1.224700 3.834161 1.349201 ESP Fit Center 4324 is at 0.986883 3.496057 1.349201 ESP Fit Center 4325 is at 0.803464 3.125613 1.349201 ESP Fit Center 4326 is at 5.683820 3.326990 0.926828 ESP Fit Center 4327 is at 5.465174 3.683788 0.926828 ESP Fit Center 4328 is at 5.193404 4.001990 0.926828 ESP Fit Center 4329 is at 4.875202 4.273760 0.926828 ESP Fit Center 4330 is at 4.518404 4.492406 0.926828 ESP Fit Center 4331 is at 4.131795 4.652545 0.926828 ESP Fit Center 4332 is at 3.724894 4.750233 0.926828 ESP Fit Center 4333 is at 3.307721 4.783065 0.926828 ESP Fit Center 4334 is at 2.890548 4.750233 0.926828 ESP Fit Center 4335 is at 2.483647 4.652545 0.926828 ESP Fit Center 4336 is at 2.097038 4.492406 0.926828 ESP Fit Center 4337 is at 1.740240 4.273760 0.926828 ESP Fit Center 4338 is at 1.422038 4.001990 0.926828 ESP Fit Center 4339 is at 1.150268 3.683788 0.926828 ESP Fit Center 4340 is at 0.931622 3.326990 0.926828 ESP Fit Center 4341 is at 5.566080 3.338470 0.514855 ESP Fit Center 4342 is at 5.334118 3.693515 0.514855 ESP Fit Center 4343 is at 5.046880 4.005537 0.514855 ESP Fit Center 4344 is at 4.712203 4.266027 0.514855 ESP Fit Center 4345 is at 4.339216 4.467878 0.514855 ESP Fit Center 4346 is at 3.938092 4.605584 0.514855 ESP Fit Center 4347 is at 3.519773 4.675389 0.514855 ESP Fit Center 4348 is at 3.095670 4.675389 0.514855 ESP Fit Center 4349 is at 2.677351 4.605584 0.514855 ESP Fit Center 4350 is at 2.276226 4.467878 0.514855 ESP Fit Center 4351 is at 1.903239 4.266027 0.514855 ESP Fit Center 4352 is at 1.568562 4.005537 0.514855 ESP Fit Center 4353 is at 1.281325 3.693515 0.514855 ESP Fit Center 4354 is at 5.568356 2.939111 0.123427 ESP Fit Center 4355 is at 5.391134 3.319166 0.123427 ESP Fit Center 4356 is at 5.150608 3.662672 0.123427 ESP Fit Center 4357 is at 4.854087 3.959194 0.123427 ESP Fit Center 4358 is at 5.492067 2.116307 -0.237819 ESP Fit Center 4359 is at 5.452593 2.529697 -0.237819 ESP Fit Center 4360 is at 5.335598 2.928146 -0.237819 ESP Fit Center 4361 is at 5.216909 2.116307 -0.559987 ESP Fit Center 4362 is at 5.169042 1.691473 -0.559987 ESP Fit Center 4363 is at 3.048971 2.879064 4.225158 ESP Fit Center 4364 is at 3.470366 2.879064 4.183654 ESP Fit Center 4365 is at 3.259668 3.244003 4.183654 ESP Fit Center 4366 is at 2.838273 3.244003 4.183654 ESP Fit Center 4367 is at 2.627576 2.879064 4.183654 ESP Fit Center 4368 is at 2.838273 2.514125 4.183654 ESP Fit Center 4369 is at 3.259668 2.514125 4.183654 ESP Fit Center 4370 is at 3.875567 2.879064 4.060738 ESP Fit Center 4371 is at 3.764824 3.292362 4.060738 ESP Fit Center 4372 is at 3.462269 3.594918 4.060738 ESP Fit Center 4373 is at 3.048971 3.705661 4.060738 ESP Fit Center 4374 is at 2.635673 3.594918 4.060738 ESP Fit Center 4375 is at 2.333117 3.292362 4.060738 ESP Fit Center 4376 is at 2.222375 2.879064 4.060738 ESP Fit Center 4377 is at 2.333117 2.465766 4.060738 ESP Fit Center 4378 is at 2.635673 2.163211 4.060738 ESP Fit Center 4379 is at 3.048971 2.052468 4.060738 ESP Fit Center 4380 is at 3.462269 2.163211 4.060738 ESP Fit Center 4381 is at 3.764824 2.465766 4.060738 ESP Fit Center 4382 is at 4.249002 2.879064 3.861132 ESP Fit Center 4383 is at 4.176632 3.289499 3.861132 ESP Fit Center 4384 is at 3.968248 3.650430 3.861132 ESP Fit Center 4385 is at 3.648987 3.918322 3.861132 ESP Fit Center 4386 is at 3.257354 4.060865 3.861132 ESP Fit Center 4387 is at 2.840587 4.060865 3.861132 ESP Fit Center 4388 is at 2.448955 3.918322 3.861132 ESP Fit Center 4389 is at 2.129693 3.650430 3.861132 ESP Fit Center 4390 is at 1.921310 3.289499 3.861132 ESP Fit Center 4391 is at 1.848939 2.879064 3.861132 ESP Fit Center 4392 is at 1.921310 2.468629 3.861132 ESP Fit Center 4393 is at 2.129693 2.107699 3.861132 ESP Fit Center 4394 is at 4.519683 3.291139 3.592508 ESP Fit Center 4395 is at 4.353969 3.672651 3.592508 ESP Fit Center 4396 is at 4.091469 3.995307 3.592508 ESP Fit Center 4397 is at 3.751651 4.235176 3.592508 ESP Fit Center 4398 is at 3.359719 4.374469 3.592508 ESP Fit Center 4399 is at 2.944741 4.402854 3.592508 ESP Fit Center 4400 is at 2.537492 4.318227 3.592508 ESP Fit Center 4401 is at 2.168178 4.126864 3.592508 ESP Fit Center 4402 is at 1.864188 3.842957 3.592508 ESP Fit Center 4403 is at 1.648067 3.487563 3.592508 ESP Fit Center 4404 is at 1.535846 3.087039 3.592508 ESP Fit Center 4405 is at 1.535846 2.671090 3.592508 ESP Fit Center 4406 is at 4.653912 3.685096 3.265189 ESP Fit Center 4407 is at 4.424767 4.033494 3.265189 ESP Fit Center 4408 is at 4.121452 4.319657 3.265189 ESP Fit Center 4409 is at 3.760320 4.528157 3.265189 ESP Fit Center 4410 is at 3.360838 4.647754 3.265189 ESP Fit Center 4411 is at 2.944544 4.672000 3.265189 ESP Fit Center 4412 is at 2.533880 4.599589 3.265189 ESP Fit Center 4413 is at 2.150984 4.434424 3.265189 ESP Fit Center 4414 is at 1.816498 4.185409 3.265189 ESP Fit Center 4415 is at 1.548456 3.865968 3.265189 ESP Fit Center 4416 is at 1.361307 3.493324 3.265189 ESP Fit Center 4417 is at 1.265140 3.087564 3.265189 ESP Fit Center 4418 is at 1.265140 2.670564 3.265189 ESP Fit Center 4419 is at 4.872024 3.690740 2.891754 ESP Fit Center 4420 is at 4.663429 4.052037 2.891754 ESP Fit Center 4421 is at 4.384274 4.362069 2.891754 ESP Fit Center 4422 is at 4.046761 4.607287 2.891754 ESP Fit Center 4423 is at 3.665639 4.776974 2.891754 ESP Fit Center 4424 is at 3.257566 4.863712 2.891754 ESP Fit Center 4425 is at 2.840376 4.863712 2.891754 ESP Fit Center 4426 is at 2.432303 4.776974 2.891754 ESP Fit Center 4427 is at 2.051181 4.607287 2.891754 ESP Fit Center 4428 is at 1.713667 4.362069 2.891754 ESP Fit Center 4429 is at 1.434513 4.052037 2.891754 ESP Fit Center 4430 is at 1.225918 3.690740 2.891754 ESP Fit Center 4431 is at 1.096999 3.293969 2.891754 ESP Fit Center 4432 is at 1.053391 2.879064 2.891754 ESP Fit Center 4433 is at 4.810436 4.056038 2.486553 ESP Fit Center 4434 is at 4.546974 4.377067 2.486553 ESP Fit Center 4435 is at 4.225944 4.640530 2.486553 ESP Fit Center 4436 is at 3.859684 4.836300 2.486553 ESP Fit Center 4437 is at 3.462269 4.956854 2.486553 ESP Fit Center 4438 is at 3.048971 4.997561 2.486553 ESP Fit Center 4439 is at 2.635673 4.956854 2.486553 ESP Fit Center 4440 is at 2.238257 4.836300 2.486553 ESP Fit Center 4441 is at 1.871997 4.640530 2.486553 ESP Fit Center 4442 is at 1.550968 4.377067 2.486553 ESP Fit Center 4443 is at 1.287506 4.056038 2.486553 ESP Fit Center 4444 is at 1.091735 3.689778 2.486553 ESP Fit Center 4445 is at 0.971181 3.292362 2.486553 ESP Fit Center 4446 is at 4.612236 4.369635 2.065158 ESP Fit Center 4447 is at 4.301894 4.638548 2.065158 ESP Fit Center 4448 is at 3.946267 4.843869 2.065158 ESP Fit Center 4449 is at 3.558210 4.978177 2.065158 ESP Fit Center 4450 is at 3.151748 5.036618 2.065158 ESP Fit Center 4451 is at 2.741571 5.017079 2.065158 ESP Fit Center 4452 is at 2.342504 4.920266 2.065158 ESP Fit Center 4453 is at 1.968971 4.749679 2.065158 ESP Fit Center 4454 is at 1.634472 4.511483 2.065158 ESP Fit Center 4455 is at 1.351096 4.214288 2.065158 ESP Fit Center 4456 is at 1.129086 3.868834 2.065158 ESP Fit Center 4457 is at 0.976466 3.487607 2.065158 ESP Fit Center 4458 is at 4.225944 4.640530 1.643763 ESP Fit Center 4459 is at 3.859684 4.836300 1.643763 ESP Fit Center 4460 is at 3.462269 4.956854 1.643763 ESP Fit Center 4461 is at 3.048971 4.997561 1.643763 ESP Fit Center 4462 is at 2.635673 4.956854 1.643763 ESP Fit Center 4463 is at 2.238257 4.836300 1.643763 ESP Fit Center 4464 is at 1.871997 4.640530 1.643763 ESP Fit Center 4465 is at 1.550968 4.377067 1.643763 ESP Fit Center 4466 is at 1.287506 4.056038 1.643763 ESP Fit Center 4467 is at 1.091735 3.689778 1.643763 ESP Fit Center 4468 is at 3.257566 4.863712 1.238562 ESP Fit Center 4469 is at 2.840376 4.863712 1.238562 ESP Fit Center 4470 is at 2.432303 4.776974 1.238562 ESP Fit Center 4471 is at 2.051181 4.607287 1.238562 ESP Fit Center 4472 is at 1.713667 4.362069 1.238562 ESP Fit Center 4473 is at 3.761813 4.604110 0.345778 ESP Fit Center 4474 is at 3.355351 4.662551 0.345778 ESP Fit Center 4475 is at 2.945174 4.643011 0.345778 ESP Fit Center 4476 is at 2.546107 4.546199 0.345778 ESP Fit Center 4477 is at 2.172574 4.375612 0.345778 ESP Fit Center 4478 is at 5.014039 3.681971 -0.075617 ESP Fit Center 4479 is at 4.750577 4.003000 -0.075617 ESP Fit Center 4480 is at 4.429547 4.266462 -0.075617 ESP Fit Center 4481 is at 4.063287 4.462232 -0.075617 ESP Fit Center 4482 is at 3.665872 4.582787 -0.075617 ESP Fit Center 4483 is at 3.252574 4.623493 -0.075617 ESP Fit Center 4484 is at 2.839276 4.582787 -0.075617 ESP Fit Center 4485 is at 2.441860 4.462232 -0.075617 ESP Fit Center 4486 is at 2.075600 4.266462 -0.075617 ESP Fit Center 4487 is at 1.754571 4.003000 -0.075617 ESP Fit Center 4488 is at 5.204545 2.919901 -0.480818 ESP Fit Center 4489 is at 5.075626 3.316673 -0.480818 ESP Fit Center 4490 is at 4.867032 3.677969 -0.480818 ESP Fit Center 4491 is at 4.587877 3.988002 -0.480818 ESP Fit Center 4492 is at 4.250364 4.233220 -0.480818 ESP Fit Center 4493 is at 3.869242 4.402906 -0.480818 ESP Fit Center 4494 is at 3.461169 4.489645 -0.480818 ESP Fit Center 4495 is at 3.043979 4.489645 -0.480818 ESP Fit Center 4496 is at 2.635906 4.402906 -0.480818 ESP Fit Center 4497 is at 2.254784 4.233220 -0.480818 ESP Fit Center 4498 is at 1.917270 3.988002 -0.480818 ESP Fit Center 4499 is at 5.048548 2.504997 -0.854254 ESP Fit Center 4500 is at 5.000137 2.919177 -0.854254 ESP Fit Center 4501 is at 4.857515 3.311029 -0.854254 ESP Fit Center 4502 is at 4.628370 3.659427 -0.854254 ESP Fit Center 4503 is at 4.325055 3.945590 -0.854254 ESP Fit Center 4504 is at 3.963923 4.154090 -0.854254 ESP Fit Center 4505 is at 3.564441 4.273687 -0.854254 ESP Fit Center 4506 is at 3.148147 4.297933 -0.854254 ESP Fit Center 4507 is at 2.737482 4.225522 -0.854254 ESP Fit Center 4508 is at 2.354586 4.060357 -0.854254 ESP Fit Center 4509 is at 4.857515 1.698965 -0.854254 ESP Fit Center 4510 is at 5.000137 2.090817 -0.854254 ESP Fit Center 4511 is at 4.779924 2.504997 -1.181573 ESP Fit Center 4512 is at 4.723286 2.917071 -1.181573 ESP Fit Center 4513 is at 4.557572 3.298584 -1.181573 ESP Fit Center 4514 is at 4.295072 3.621240 -1.181573 ESP Fit Center 4515 is at 3.955254 3.861109 -1.181573 ESP Fit Center 4516 is at 3.563322 4.000402 -1.181573 ESP Fit Center 4517 is at 3.148344 4.028787 -1.181573 ESP Fit Center 4518 is at 2.741095 3.944160 -1.181573 ESP Fit Center 4519 is at 4.557572 1.711410 -1.181573 ESP Fit Center 4520 is at 4.723286 2.092923 -1.181573 ESP Fit Center 4521 is at 4.452605 2.504997 -1.450196 ESP Fit Center 4522 is at 4.380235 2.915432 -1.450196 ESP Fit Center 4523 is at 4.171851 3.276363 -1.450196 ESP Fit Center 4524 is at 3.852589 3.544255 -1.450196 ESP Fit Center 4525 is at 3.460957 3.686798 -1.450196 ESP Fit Center 4526 is at 4.380235 2.094562 -1.450196 ESP Fit Center 4527 is at 4.079170 2.504997 -1.649802 ESP Fit Center 4528 is at 3.968427 2.918295 -1.649802 ESP Fit Center 4529 is at 3.665872 3.220850 -1.649802 ESP Fit Center 4530 is at 4.713729 1.727806 3.674939 ESP Fit Center 4531 is at 4.503031 1.362867 3.674939 ESP Fit Center 4532 is at 5.118930 1.727806 3.552022 ESP Fit Center 4533 is at 5.008187 2.141104 3.552022 ESP Fit Center 4534 is at 4.292334 0.901210 3.552022 ESP Fit Center 4535 is at 4.705632 1.011953 3.552022 ESP Fit Center 4536 is at 5.008187 1.314508 3.552022 ESP Fit Center 4537 is at 5.492365 1.727806 3.352417 ESP Fit Center 4538 is at 5.419995 2.138241 3.352417 ESP Fit Center 4539 is at 5.211611 2.499172 3.352417 ESP Fit Center 4540 is at 4.500717 0.546006 3.352417 ESP Fit Center 4541 is at 4.892350 0.688548 3.352417 ESP Fit Center 4542 is at 5.211611 0.956441 3.352417 ESP Fit Center 4543 is at 5.419995 1.317371 3.352417 ESP Fit Center 4544 is at 5.819684 1.727806 3.083793 ESP Fit Center 4545 is at 5.763046 2.139880 3.083793 ESP Fit Center 4546 is at 5.597332 2.521393 3.083793 ESP Fit Center 4547 is at 5.334832 2.844049 3.083793 ESP Fit Center 4548 is at 4.603082 0.232401 3.083793 ESP Fit Center 4549 is at 4.995014 0.371694 3.083793 ESP Fit Center 4550 is at 5.334832 0.611563 3.083793 ESP Fit Center 4551 is at 5.597332 0.934219 3.083793 ESP Fit Center 4552 is at 5.763046 1.315732 3.083793 ESP Fit Center 4553 is at 6.088308 1.727806 2.756474 ESP Fit Center 4554 is at 6.039897 2.141986 2.756474 ESP Fit Center 4555 is at 5.897275 2.533838 2.756474 ESP Fit Center 4556 is at 5.668130 2.882236 2.756474 ESP Fit Center 4557 is at 5.364815 3.168399 2.756474 ESP Fit Center 4558 is at 5.003683 0.078714 2.756474 ESP Fit Center 4559 is at 5.364815 0.287213 2.756474 ESP Fit Center 4560 is at 5.668130 0.573376 2.756474 ESP Fit Center 4561 is at 5.897275 0.921774 2.756474 ESP Fit Center 4562 is at 6.039897 1.313626 2.756474 ESP Fit Center 4563 is at 6.287914 1.727806 2.383039 ESP Fit Center 4564 is at 6.244305 2.142711 2.383039 ESP Fit Center 4565 is at 6.115387 2.539482 2.383039 ESP Fit Center 4566 is at 5.906792 2.900779 2.383039 ESP Fit Center 4567 is at 5.627637 3.210811 2.383039 ESP Fit Center 4568 is at 5.290124 -0.000417 2.383039 ESP Fit Center 4569 is at 5.627637 0.244801 2.383039 ESP Fit Center 4570 is at 5.906792 0.554834 2.383039 ESP Fit Center 4571 is at 6.115387 0.916131 2.383039 ESP Fit Center 4572 is at 6.244305 1.312902 2.383039 ESP Fit Center 4573 is at 6.410830 1.727806 1.977838 ESP Fit Center 4574 is at 6.370124 2.141104 1.977838 ESP Fit Center 4575 is at 6.249569 2.538520 1.977838 ESP Fit Center 4576 is at 6.053799 2.904780 1.977838 ESP Fit Center 4577 is at 5.790337 3.225809 1.977838 ESP Fit Center 4578 is at 5.469307 -0.033659 1.977838 ESP Fit Center 4579 is at 5.790337 0.229803 1.977838 ESP Fit Center 4580 is at 6.053799 0.550833 1.977838 ESP Fit Center 4581 is at 6.249569 0.917093 1.977838 ESP Fit Center 4582 is at 6.370124 1.314508 1.977838 ESP Fit Center 4583 is at 6.452334 1.727806 1.556443 ESP Fit Center 4584 is at 6.413300 2.136589 1.556443 ESP Fit Center 4585 is at 6.297609 2.530597 1.556443 ESP Fit Center 4586 is at 6.109441 2.895590 1.556443 ESP Fit Center 4587 is at 5.855599 3.218377 1.556443 ESP Fit Center 4588 is at 5.855599 0.237235 1.556443 ESP Fit Center 4589 is at 6.109441 0.560022 1.556443 ESP Fit Center 4590 is at 6.297609 0.925015 1.556443 ESP Fit Center 4591 is at 6.413300 1.319023 1.556443 ESP Fit Center 4592 is at 6.410830 1.727806 1.135048 ESP Fit Center 4593 is at 6.370124 2.141104 1.135048 ESP Fit Center 4594 is at 6.249569 2.538520 1.135048 ESP Fit Center 4595 is at 6.053799 2.904780 1.135048 ESP Fit Center 4596 is at 5.790337 3.225809 1.135048 ESP Fit Center 4597 is at 6.053799 0.550833 1.135048 ESP Fit Center 4598 is at 6.249569 0.917093 1.135048 ESP Fit Center 4599 is at 6.370124 1.314508 1.135048 ESP Fit Center 4600 is at 6.287914 1.727806 0.729846 ESP Fit Center 4601 is at 6.244305 2.142711 0.729846 ESP Fit Center 4602 is at 6.115387 2.539482 0.729846 ESP Fit Center 4603 is at 5.906792 2.900779 0.729846 ESP Fit Center 4604 is at 6.115387 0.916131 0.729846 ESP Fit Center 4605 is at 6.244305 1.312902 0.729846 ESP Fit Center 4606 is at 6.088308 1.727806 0.356411 ESP Fit Center 4607 is at 6.039897 2.141986 0.356411 ESP Fit Center 4608 is at 5.897275 2.533838 0.356411 ESP Fit Center 4609 is at 5.897275 0.921774 0.356411 ESP Fit Center 4610 is at 6.039897 1.313626 0.356411 ESP Fit Center 4611 is at 5.819684 1.727806 0.029092 ESP Fit Center 4612 is at 5.763046 2.139880 0.029092 ESP Fit Center 4613 is at 5.763046 1.315732 0.029092 ESP Fit Center 4614 is at 5.492365 1.727806 -0.239532 ESP Fit Center 4615 is at 5.419995 1.317371 -0.239532 ESP Fit Center 4616 is at 2.336892 1.077796 4.045325 ESP Fit Center 4617 is at 2.751671 1.077796 4.010955 ESP Fit Center 4618 is at 2.544281 1.437005 4.010955 ESP Fit Center 4619 is at 2.129503 1.437005 4.010955 ESP Fit Center 4620 is at 1.922114 1.077796 4.010955 ESP Fit Center 4621 is at 2.129503 0.718588 4.010955 ESP Fit Center 4622 is at 2.544281 0.718588 4.010955 ESP Fit Center 4623 is at 3.155135 1.077796 3.908784 ESP Fit Center 4624 is at 2.336892 1.896039 3.908784 ESP Fit Center 4625 is at 1.927771 1.786415 3.908784 ESP Fit Center 4626 is at 1.628273 1.486917 3.908784 ESP Fit Center 4627 is at 1.518650 1.077796 3.908784 ESP Fit Center 4628 is at 1.628273 0.668675 3.908784 ESP Fit Center 4629 is at 1.927771 0.369177 3.908784 ESP Fit Center 4630 is at 2.746014 0.369177 3.908784 ESP Fit Center 4631 is at 3.045511 0.668675 3.908784 ESP Fit Center 4632 is at 1.737199 2.116496 3.741599 ESP Fit Center 4633 is at 1.418108 1.848748 3.741599 ESP Fit Center 4634 is at 1.209837 1.488011 3.741599 ESP Fit Center 4635 is at 1.137505 1.077796 3.741599 ESP Fit Center 4636 is at 1.209837 0.667581 3.741599 ESP Fit Center 4637 is at 3.463948 0.667581 3.741599 ESP Fit Center 4638 is at 1.444297 2.342315 3.513959 ESP Fit Center 4639 is at 1.136234 2.054604 3.513959 ESP Fit Center 4640 is at 0.917218 1.694448 3.513959 ESP Fit Center 4641 is at 0.803493 1.288557 3.513959 ESP Fit Center 4642 is at 0.803493 0.867035 3.513959 ESP Fit Center 4643 is at 1.064584 2.426365 3.232074 ESP Fit Center 4644 is at 0.787878 2.096599 3.232074 ESP Fit Center 4645 is at 0.594679 1.711910 3.232074 ESP Fit Center 4646 is at 0.495404 1.293035 3.232074 ESP Fit Center 4647 is at 0.495404 0.862557 3.232074 ESP Fit Center 4648 is at 1.045557 2.746064 2.903634 ESP Fit Center 4649 is at 0.736171 2.451970 2.903634 ESP Fit Center 4650 is at 0.492319 2.101618 2.903634 ESP Fit Center 4651 is at 0.323983 1.709350 2.903634 ESP Fit Center 4652 is at 0.238057 1.291227 2.903634 ESP Fit Center 4653 is at 0.631445 2.632516 2.537597 ESP Fit Center 4654 is at 0.374805 2.292669 2.537597 ESP Fit Center 4655 is at 0.184981 1.911451 2.537597 ESP Fit Center 4656 is at 0.068437 1.501844 2.537597 ESP Fit Center 4657 is at 0.766634 2.949157 2.143948 ESP Fit Center 4658 is at 0.465531 2.648055 2.143948 ESP Fit Center 4659 is at 0.221289 2.299240 2.143948 ESP Fit Center 4660 is at 0.041328 1.913313 2.143948 ESP Fit Center 4661 is at 0.523777 2.815527 1.733425 ESP Fit Center 4662 is at 0.256179 2.484113 1.733425 ESP Fit Center 4663 is at 2.247862 -0.259519 3.971808 ESP Fit Center 4664 is at 2.670767 -0.259519 3.944089 ESP Fit Center 4665 is at 2.459315 0.106727 3.944089 ESP Fit Center 4666 is at 2.036410 0.106727 3.944089 ESP Fit Center 4667 is at 1.824958 -0.259519 3.944089 ESP Fit Center 4668 is at 2.036410 -0.625766 3.944089 ESP Fit Center 4669 is at 2.459315 -0.625766 3.944089 ESP Fit Center 4670 is at 3.086436 -0.259519 3.861408 ESP Fit Center 4671 is at 2.974089 0.159768 3.861408 ESP Fit Center 4672 is at 1.521636 0.159768 3.861408 ESP Fit Center 4673 is at 1.409289 -0.259519 3.861408 ESP Fit Center 4674 is at 1.521636 -0.678806 3.861408 ESP Fit Center 4675 is at 1.828576 -0.985745 3.861408 ESP Fit Center 4676 is at 2.247862 -1.098093 3.861408 ESP Fit Center 4677 is at 2.667149 -0.985745 3.861408 ESP Fit Center 4678 is at 2.974089 -0.678806 3.861408 ESP Fit Center 4679 is at 3.487757 -0.259519 3.725178 ESP Fit Center 4680 is at 3.412982 0.164550 3.725178 ESP Fit Center 4681 is at 1.082743 0.164550 3.725178 ESP Fit Center 4682 is at 1.007968 -0.259519 3.725178 ESP Fit Center 4683 is at 2.867810 -1.333299 3.725178 ESP Fit Center 4684 is at 3.197677 -1.056508 3.725178 ESP Fit Center 4685 is at 3.412982 -0.683588 3.725178 ESP Fit Center 4686 is at 3.867862 -0.259519 3.537730 ESP Fit Center 4687 is at 3.812662 0.159768 3.537730 ESP Fit Center 4688 is at 0.844901 0.550481 3.537730 ESP Fit Center 4689 is at 0.683063 0.159768 3.537730 ESP Fit Center 4690 is at 0.627862 -0.259519 3.537730 ESP Fit Center 4691 is at 3.057862 -1.662480 3.537730 ESP Fit Center 4692 is at 3.393375 -1.405032 3.537730 ESP Fit Center 4693 is at 3.650824 -1.069519 3.537730 ESP Fit Center 4694 is at 3.812662 -0.678806 3.537730 ESP Fit Center 4695 is at 4.220249 -0.259519 3.302273 ESP Fit Center 4696 is at 4.174136 0.164486 3.302273 ESP Fit Center 4697 is at 0.557808 0.757352 3.302273 ESP Fit Center 4698 is at 0.378724 0.370267 3.302273 ESP Fit Center 4699 is at 0.287038 -0.046267 3.302273 ESP Fit Center 4700 is at 3.171745 -2.002147 3.302273 ESP Fit Center 4701 is at 3.524759 -1.762798 3.302273 ESP Fit Center 4702 is at 3.818066 -1.453157 3.302273 ESP Fit Center 4703 is at 4.037952 -1.087703 3.302273 ESP Fit Center 4704 is at 4.174136 -0.683524 3.302273 ESP Fit Center 4705 is at 4.538888 -0.259519 3.022834 ESP Fit Center 4706 is at 0.299993 0.946550 3.022834 ESP Fit Center 4707 is at 0.111544 0.568095 3.022834 ESP Fit Center 4708 is at -0.004154 0.161456 3.022834 ESP Fit Center 4709 is at -0.043164 -0.259519 3.022834 ESP Fit Center 4710 is at 3.269061 -2.310362 3.022834 ESP Fit Center 4711 is at 3.628514 -2.087798 3.022834 ESP Fit Center 4712 is at 3.940951 -1.802974 3.022834 ESP Fit Center 4713 is at 4.195732 -1.465589 3.022834 ESP Fit Center 4714 is at 4.384181 -1.087133 3.022834 ESP Fit Center 4715 is at 4.499879 -0.680494 3.022834 ESP Fit Center 4716 is at 4.818327 -0.259519 2.704195 ESP Fit Center 4717 is at -0.012794 0.963887 2.704195 ESP Fit Center 4718 is at -0.183328 0.575109 2.704195 ESP Fit Center 4719 is at -0.287545 0.163565 2.704195 ESP Fit Center 4720 is at -0.322602 -0.259519 2.704195 ESP Fit Center 4721 is at 3.653773 -2.411426 2.704195 ESP Fit Center 4722 is at 3.988791 -2.150672 2.704195 ESP Fit Center 4723 is at 4.276320 -1.838331 2.704195 ESP Fit Center 4724 is at 4.508519 -1.482925 2.704195 ESP Fit Center 4725 is at 4.679052 -1.094148 2.704195 ESP Fit Center 4726 is at 4.783269 -0.682604 2.704195 ESP Fit Center 4727 is at 5.053785 -0.259519 2.351808 ESP Fit Center 4728 is at -0.070499 1.321113 2.351808 ESP Fit Center 4729 is at -0.280186 0.957925 2.351808 ESP Fit Center 4730 is at -0.433401 0.567541 2.351808 ESP Fit Center 4731 is at -0.526720 0.158682 2.351808 ESP Fit Center 4732 is at -0.558060 -0.259519 2.351808 ESP Fit Center 4733 is at 4.775911 -1.476963 2.351808 ESP Fit Center 4734 is at -0.738216 -0.050712 1.971702 ESP Fit Center 4735 is at 1.126526 -3.034923 -0.508086 ESP Fit Center 4736 is at 1.523701 -3.163973 -0.508086 ESP Fit Center 4737 is at 4.183148 1.097205 -1.902694 ESP Fit Center 4738 is at 4.163532 0.276303 -2.292867 ESP Fit Center 4739 is at 4.133911 0.690471 -2.292867 ESP Fit Center 4740 is at 4.045648 1.096207 -2.292867 ESP Fit Center 4741 is at 3.981292 0.276303 -2.662414 ESP Fit Center 4742 is at 3.949321 0.692728 -2.662414 ESP Fit Center 4743 is at 3.854158 1.099391 -2.662414 ESP Fit Center 4744 is at 3.949321 -0.140121 -2.662414 ESP Fit Center 4745 is at 3.752375 0.276303 -3.005013 ESP Fit Center 4746 is at 3.718291 0.687636 -3.005013 ESP Fit Center 4747 is at 3.616969 1.087748 -3.005013 ESP Fit Center 4748 is at 3.718291 -0.135029 -3.005013 ESP Fit Center 4749 is at 3.480698 0.276303 -3.314800 ESP Fit Center 4750 is at 3.440446 0.697839 -3.314800 ESP Fit Center 4751 is at 3.321146 1.104139 -3.314800 ESP Fit Center 4752 is at -0.205316 1.959650 -3.314800 ESP Fit Center 4753 is at -0.497532 1.653182 -3.314800 ESP Fit Center 4754 is at -0.726468 1.296951 -3.314800 ESP Fit Center 4755 is at -0.883850 0.903831 -3.314800 ESP Fit Center 4756 is at -0.883850 -0.351224 -3.314800 ESP Fit Center 4757 is at -0.726468 -0.744344 -3.314800 ESP Fit Center 4758 is at 3.170910 0.276303 -3.586477 ESP Fit Center 4759 is at 3.126078 0.688530 -3.586477 ESP Fit Center 4760 is at 2.993677 1.081482 -3.586477 ESP Fit Center 4761 is at 0.177180 1.863479 -3.586477 ESP Fit Center 4762 is at -0.138856 1.595035 -3.586477 ESP Fit Center 4763 is at -0.389796 1.264929 -3.586477 ESP Fit Center 4764 is at -0.563906 0.888596 -3.586477 ESP Fit Center 4765 is at -0.653046 0.483632 -3.586477 ESP Fit Center 4766 is at -0.653046 0.068975 -3.586477 ESP Fit Center 4767 is at -0.563906 -0.335989 -3.586477 ESP Fit Center 4768 is at 2.828312 0.276303 -3.815394 ESP Fit Center 4769 is at 2.774645 0.683943 -3.815394 ESP Fit Center 4770 is at 2.617302 1.063803 -3.815394 ESP Fit Center 4771 is at 0.845672 1.797637 -3.815394 ESP Fit Center 4772 is at 0.465812 1.640294 -3.815394 ESP Fit Center 4773 is at 0.139619 1.389997 -3.815394 ESP Fit Center 4774 is at -0.110678 1.063803 -3.815394 ESP Fit Center 4775 is at -0.268021 0.683943 -3.815394 ESP Fit Center 4776 is at -0.321688 0.276303 -3.815394 ESP Fit Center 4777 is at -0.268021 -0.131337 -3.815394 ESP Fit Center 4778 is at 2.386067 0.688593 -3.997635 ESP Fit Center 4779 is at 2.176742 1.051154 -3.997635 ESP Fit Center 4780 is at 1.856038 1.320256 -3.997635 ESP Fit Center 4781 is at 1.462637 1.463443 -3.997635 ESP Fit Center 4782 is at 1.043987 1.463443 -3.997635 ESP Fit Center 4783 is at 0.650585 1.320256 -3.997635 ESP Fit Center 4784 is at 0.329881 1.051154 -3.997635 ESP Fit Center 4785 is at 0.120557 0.688593 -3.997635 ESP Fit Center 4786 is at 0.047859 0.276303 -3.997635 ESP Fit Center 4787 is at 0.120557 -0.135986 -3.997635 ESP Fit Center 4788 is at 1.959365 0.683943 -4.130080 ESP Fit Center 4789 is at 1.660952 0.982357 -4.130080 ESP Fit Center 4790 is at 1.253312 1.091583 -4.130080 ESP Fit Center 4791 is at 0.845672 0.982357 -4.130080 ESP Fit Center 4792 is at 0.547259 0.683943 -4.130080 ESP Fit Center 4793 is at 0.438032 0.276303 -4.130080 ESP Fit Center 4794 is at 1.458891 0.632376 -4.210465 ESP Fit Center 4795 is at 1.047733 0.632376 -4.210465 ESP Fit Center 4796 is at 0.842154 0.276303 -4.210465 ESP Fit Center 4797 is at 1.253312 0.276303 -4.237414 ESP Fit Center 4798 is at 1.559494 -1.353908 3.900949 ESP Fit Center 4799 is at 1.974272 -1.353908 3.866580 ESP Fit Center 4800 is at 1.766883 -0.994699 3.866580 ESP Fit Center 4801 is at 1.352104 -0.994699 3.866580 ESP Fit Center 4802 is at 1.144715 -1.353908 3.866580 ESP Fit Center 4803 is at 1.352104 -1.713116 3.866580 ESP Fit Center 4804 is at 1.766883 -1.713116 3.866580 ESP Fit Center 4805 is at 1.150372 -0.645289 3.764409 ESP Fit Center 4806 is at 0.850875 -0.944786 3.764409 ESP Fit Center 4807 is at 0.741251 -1.353908 3.764409 ESP Fit Center 4808 is at 0.850875 -1.763029 3.764409 ESP Fit Center 4809 is at 1.150372 -2.062526 3.764409 ESP Fit Center 4810 is at 1.559494 -2.172150 3.764409 ESP Fit Center 4811 is at 1.968615 -2.062526 3.764409 ESP Fit Center 4812 is at 2.268113 -1.763029 3.764409 ESP Fit Center 4813 is at 0.640709 -0.582956 3.597223 ESP Fit Center 4814 is at 0.432438 -0.943693 3.597223 ESP Fit Center 4815 is at 0.360106 -1.353908 3.597223 ESP Fit Center 4816 is at 0.432438 -1.764122 3.597223 ESP Fit Center 4817 is at 0.640709 -2.124859 3.597223 ESP Fit Center 4818 is at 0.959800 -2.392607 3.597223 ESP Fit Center 4819 is at 1.351222 -2.535074 3.597223 ESP Fit Center 4820 is at 1.767765 -2.535074 3.597223 ESP Fit Center 4821 is at 2.159187 -2.392607 3.597223 ESP Fit Center 4822 is at 2.478278 -2.124859 3.597223 ESP Fit Center 4823 is at 2.686549 -1.764122 3.597223 ESP Fit Center 4824 is at 0.358835 -0.377099 3.369583 ESP Fit Center 4825 is at 0.139819 -0.737256 3.369583 ESP Fit Center 4826 is at 0.026094 -1.143147 3.369583 ESP Fit Center 4827 is at 0.026094 -1.564668 3.369583 ESP Fit Center 4828 is at 0.139819 -1.970559 3.369583 ESP Fit Center 4829 is at 0.358835 -2.330716 3.369583 ESP Fit Center 4830 is at 0.666899 -2.618427 3.369583 ESP Fit Center 4831 is at 1.041162 -2.812354 3.369583 ESP Fit Center 4832 is at 1.453867 -2.898115 3.369583 ESP Fit Center 4833 is at 1.874406 -2.869350 3.369583 ESP Fit Center 4834 is at 2.271590 -2.728190 3.369583 ESP Fit Center 4835 is at 2.615960 -2.485107 3.369583 ESP Fit Center 4836 is at 2.881978 -2.158128 3.369583 ESP Fit Center 4837 is at 0.010479 -0.335105 3.087699 ESP Fit Center 4838 is at -0.182719 -0.719794 3.087699 ESP Fit Center 4839 is at -0.281994 -1.138668 3.087699 ESP Fit Center 4840 is at -0.281994 -1.569147 3.087699 ESP Fit Center 4841 is at -0.182719 -1.988021 3.087699 ESP Fit Center 4842 is at 0.010479 -2.372710 3.087699 ESP Fit Center 4843 is at 0.287185 -2.702476 3.087699 ESP Fit Center 4844 is at 0.632481 -2.959540 3.087699 ESP Fit Center 4845 is at 1.027753 -3.130043 3.087699 ESP Fit Center 4846 is at 1.451692 -3.204795 3.087699 ESP Fit Center 4847 is at 1.881442 -3.179765 3.087699 ESP Fit Center 4848 is at 2.293835 -3.056302 3.087699 ESP Fit Center 4849 is at 2.666640 -2.841063 3.087699 ESP Fit Center 4850 is at 2.979759 -2.545651 3.087699 ESP Fit Center 4851 is at -0.285080 -0.330086 2.759259 ESP Fit Center 4852 is at -0.453415 -0.722353 2.759259 ESP Fit Center 4853 is at -0.539342 -1.140477 2.759259 ESP Fit Center 4854 is at -0.539342 -1.567338 2.759259 ESP Fit Center 4855 is at -0.453415 -1.985462 2.759259 ESP Fit Center 4856 is at -0.285080 -2.377729 2.759259 ESP Fit Center 4857 is at -0.041228 -2.728082 2.759259 ESP Fit Center 4858 is at 0.268158 -3.022175 2.759259 ESP Fit Center 4859 is at 0.630412 -3.247969 2.759259 ESP Fit Center 4860 is at 1.030702 -3.396221 2.759259 ESP Fit Center 4861 is at 1.452641 -3.460859 2.759259 ESP Fit Center 4862 is at 1.878955 -3.439239 2.759259 ESP Fit Center 4863 is at 2.292189 -3.332245 2.759259 ESP Fit Center 4864 is at 2.675428 -3.144258 2.759259 ESP Fit Center 4865 is at 3.012979 -2.882974 2.759259 ESP Fit Center 4866 is at -0.592418 -0.520252 2.393222 ESP Fit Center 4867 is at -0.708961 -0.929860 2.393222 ESP Fit Center 4868 is at -0.748255 -1.353908 2.393222 ESP Fit Center 4869 is at -0.708961 -1.777955 2.393222 ESP Fit Center 4870 is at -0.592418 -2.187563 2.393222 ESP Fit Center 4871 is at -0.402594 -2.568781 2.393222 ESP Fit Center 4872 is at -0.145953 -2.908628 2.393222 ESP Fit Center 4873 is at 0.168764 -3.195531 2.393222 ESP Fit Center 4874 is at 0.530841 -3.419720 2.393222 ESP Fit Center 4875 is at 0.927948 -3.573559 2.393222 ESP Fit Center 4876 is at 1.346561 -3.651812 2.393222 ESP Fit Center 4877 is at 1.772426 -3.651812 2.393222 ESP Fit Center 4878 is at 2.191039 -3.573559 2.393222 ESP Fit Center 4879 is at 2.588146 -3.419720 2.393222 ESP Fit Center 4880 is at 2.950223 -3.195531 2.393222 ESP Fit Center 4881 is at -0.311868 -2.924166 1.999573 ESP Fit Center 4882 is at -0.010765 -3.225269 1.999573 ESP Fit Center 4883 is at 0.338049 -3.469511 1.999573 ESP Fit Center 4884 is at 0.723976 -3.649472 1.999573 ESP Fit Center 4885 is at 1.135290 -3.759683 1.999573 ESP Fit Center 4886 is at 1.559494 -3.796796 1.999573 ESP Fit Center 4887 is at 1.983697 -3.759683 1.999573 ESP Fit Center 4888 is at 2.395011 -3.649472 1.999573 ESP Fit Center 4889 is at -0.253622 -3.091638 1.589049 ESP Fit Center 4890 is at 0.066136 -3.373060 1.589049 ESP Fit Center 4891 is at 0.428855 -3.596395 1.589049 ESP Fit Center 4892 is at 0.824101 -3.755218 1.589049 ESP Fit Center 4893 is at 1.240502 -3.844959 1.589049 ESP Fit Center 4894 is at 1.666080 -3.863038 1.589049 ESP Fit Center 4895 is at 2.088592 -3.808933 1.589049 ESP Fit Center 4896 is at -0.253622 -3.091638 1.172849 ESP Fit Center 4897 is at 0.066136 -3.373060 1.172849 ESP Fit Center 4898 is at 0.428855 -3.596395 1.172849 ESP Fit Center 4899 is at 0.824101 -3.755218 1.172849 ESP Fit Center 4900 is at 1.240502 -3.844959 1.172849 ESP Fit Center 4901 is at 1.666080 -3.863038 1.172849 ESP Fit Center 4902 is at 2.088592 -3.808933 1.172849 ESP Fit Center 4903 is at -0.010765 -3.225269 0.762326 ESP Fit Center 4904 is at 0.338049 -3.469511 0.762326 ESP Fit Center 4905 is at 0.723976 -3.649472 0.762326 ESP Fit Center 4906 is at 1.135290 -3.759683 0.762326 ESP Fit Center 4907 is at 1.559494 -3.796796 0.762326 ESP Fit Center 4908 is at 1.983697 -3.759683 0.762326 ESP Fit Center 4909 is at 0.530841 -3.419720 0.368677 ESP Fit Center 4910 is at 0.927948 -3.573559 0.368677 ESP Fit Center 4911 is at 1.346561 -3.651812 0.368677 ESP Fit Center 4912 is at 1.772426 -3.651812 0.368677 ESP Fit Center 4913 is at 1.030702 -3.396221 0.002640 ESP Fit Center 4914 is at 1.452641 -3.460859 0.002640 ESP Fit Center 4915 is at 1.878955 -3.439239 0.002640 ESP Fit Center 4916 is at 1.027753 -3.130043 -0.325800 ESP Fit Center 4917 is at 5.258021 -0.504129 2.217819 ESP Fit Center 4918 is at 5.200624 -0.921725 2.217819 ESP Fit Center 4919 is at 5.564230 -0.504129 1.935934 ESP Fit Center 4920 is at 5.514254 -0.076562 1.935934 ESP Fit Center 4921 is at 5.514254 -0.931697 1.935934 ESP Fit Center 4922 is at 5.819865 -0.504129 1.607494 ESP Fit Center 4923 is at 5.776680 -0.079458 1.607494 ESP Fit Center 4924 is at 5.978660 -0.080082 1.241457 ESP Fit Center 4925 is at 6.005770 0.331388 0.847808 ESP Fit Center 4926 is at 6.078141 0.332516 0.437285 ESP Fit Center 4927 is at 5.902687 0.720664 0.437285 ESP Fit Center 4928 is at 6.078141 0.332516 0.021085 ESP Fit Center 4929 is at 5.902687 0.720664 0.021085 ESP Fit Center 4930 is at 5.664159 1.073578 0.021085 ESP Fit Center 4931 is at 6.005770 0.331388 -0.389439 ESP Fit Center 4932 is at 5.825809 0.717315 -0.389439 ESP Fit Center 4933 is at 5.581567 1.066129 -0.389439 ESP Fit Center 4934 is at 5.280464 1.367232 -0.389439 ESP Fit Center 4935 is at 5.862117 0.329526 -0.783088 ESP Fit Center 4936 is at 5.672293 0.710744 -0.783088 ESP Fit Center 4937 is at 5.415652 1.050591 -0.783088 ESP Fit Center 4938 is at 5.100935 1.337494 -0.783088 ESP Fit Center 4939 is at 5.648893 0.327827 -1.149125 ESP Fit Center 4940 is at 5.441737 0.701052 -1.149125 ESP Fit Center 4941 is at 5.163691 1.024937 -1.149125 ESP Fit Center 4942 is at 4.826139 1.286221 -1.149125 ESP Fit Center 4943 is at 4.442901 1.474208 -1.149125 ESP Fit Center 4944 is at 5.130470 0.687614 -1.477565 ESP Fit Center 4945 is at 4.817352 0.983027 -1.477565 ESP Fit Center 4946 is at 4.444547 1.198266 -1.477565 ESP Fit Center 4947 is at 4.766672 0.627070 -1.759449 ESP Fit Center 4948 is at 4.422301 0.870154 -1.759449 ESP Fit Center 4949 is at 4.628989 0.266822 -1.987089 ESP Fit Center 4950 is at 4.309899 0.534571 -1.987089 ESP Fit Center 4951 is at 4.597096 -1.769296 2.400284 ESP Fit Center 4952 is at 5.009069 -1.769296 2.301378 ESP Fit Center 4953 is at 4.897288 -1.352123 2.301378 ESP Fit Center 4954 is at 4.897288 -2.186469 2.301378 ESP Fit Center 4955 is at 5.400498 -1.769296 2.139243 ESP Fit Center 4956 is at 5.326574 -1.350056 2.139243 ESP Fit Center 4957 is at 5.113721 -2.557208 2.139243 ESP Fit Center 4958 is at 5.326574 -2.188535 2.139243 ESP Fit Center 4959 is at 5.761744 -1.769296 1.917871 ESP Fit Center 4960 is at 5.707667 -1.358545 1.917871 ESP Fit Center 4961 is at 5.549123 -0.975785 1.917871 ESP Fit Center 4962 is at 5.549123 -2.562806 1.917871 ESP Fit Center 4963 is at 5.707667 -2.180047 1.917871 ESP Fit Center 4964 is at 5.667387 -2.959655 1.642714 ESP Fit Center 4965 is at 5.894843 -2.597661 1.642714 ESP Fit Center 4966 is at 5.755609 -3.276667 1.320545 ESP Fit Center 4967 is at 5.721089 -3.612182 0.959300 ESP Fit Center 4968 is at 5.579206 -3.919016 0.567871 ESP Fit Center 4969 is at 5.913883 -3.658526 0.567871 ESP Fit Center 4970 is at 5.385406 -4.145395 0.155898 ESP Fit Center 4971 is at 5.742205 -3.926749 0.155898 ESP Fit Center 4972 is at 5.087369 -4.310374 -0.266475 ESP Fit Center 4973 is at 5.464567 -4.141279 -0.266475 ESP Fit Center 4974 is at 5.811532 -3.916586 -0.266475 ESP Fit Center 4975 is at 2.017270 -3.336777 -0.688848 ESP Fit Center 4976 is at 2.289040 -3.654979 -0.688848 ESP Fit Center 4977 is at 4.174723 -4.436054 -0.688848 ESP Fit Center 4978 is at 4.591896 -4.403222 -0.688848 ESP Fit Center 4979 is at 4.998797 -4.305534 -0.688848 ESP Fit Center 4980 is at 5.385406 -4.145395 -0.688848 ESP Fit Center 4981 is at 5.742205 -3.926749 -0.688848 ESP Fit Center 4982 is at 2.148327 -3.346503 -1.100821 ESP Fit Center 4983 is at 2.435564 -3.658526 -1.100821 ESP Fit Center 4984 is at 2.770241 -3.919016 -1.100821 ESP Fit Center 4985 is at 3.143229 -4.120866 -1.100821 ESP Fit Center 4986 is at 3.544353 -4.258573 -1.100821 ESP Fit Center 4987 is at 3.962672 -4.328378 -1.100821 ESP Fit Center 4988 is at 4.386775 -4.328378 -1.100821 ESP Fit Center 4989 is at 4.805094 -4.258573 -1.100821 ESP Fit Center 4990 is at 5.206218 -4.120866 -1.100821 ESP Fit Center 4991 is at 5.579206 -3.919016 -1.100821 ESP Fit Center 4992 is at 5.913883 -3.658526 -1.100821 ESP Fit Center 4993 is at 5.721089 0.073591 -1.492249 ESP Fit Center 4994 is at 5.377582 0.314117 -1.492249 ESP Fit Center 4995 is at 3.351919 -4.029931 -1.492249 ESP Fit Center 4996 is at 3.756975 -4.138465 -1.492249 ESP Fit Center 4997 is at 4.174723 -4.175013 -1.492249 ESP Fit Center 4998 is at 4.592472 -4.138465 -1.492249 ESP Fit Center 4999 is at 4.997527 -4.029931 -1.492249 ESP Fit Center 5000 is at 5.377582 -3.852708 -1.492249 ESP Fit Center 5001 is at 5.721089 -3.612182 -1.492249 ESP Fit Center 5002 is at 6.017610 -3.315661 -1.492249 ESP Fit Center 5003 is at 5.755609 -0.261924 -1.853495 ESP Fit Center 5004 is at 5.441768 0.010020 -1.853495 ESP Fit Center 5005 is at 5.082133 0.217655 -1.853495 ESP Fit Center 5006 is at 4.278659 -3.951167 -1.853495 ESP Fit Center 5007 is at 4.689702 -3.892068 -1.853495 ESP Fit Center 5008 is at 5.082133 -3.756246 -1.853495 ESP Fit Center 5009 is at 5.441768 -3.548611 -1.853495 ESP Fit Center 5010 is at 5.755609 -3.276667 -1.853495 ESP Fit Center 5011 is at 6.012312 -2.950242 -1.853495 ESP Fit Center 5012 is at 5.894843 -0.940930 -2.175663 ESP Fit Center 5013 is at 5.667387 -0.578936 -2.175663 ESP Fit Center 5014 is at 5.365083 -0.276632 -2.175663 ESP Fit Center 5015 is at 5.003089 -0.049176 -2.175663 ESP Fit Center 5016 is at 4.599558 0.092025 -2.175663 ESP Fit Center 5017 is at 5.003089 -3.489415 -2.175663 ESP Fit Center 5018 is at 5.365083 -3.261959 -2.175663 ESP Fit Center 5019 is at 5.667387 -2.959655 -2.175663 ESP Fit Center 5020 is at 5.894843 -2.597661 -2.175663 ESP Fit Center 5021 is at 5.761744 -1.769296 -2.450821 ESP Fit Center 5022 is at 5.707667 -1.358545 -2.450821 ESP Fit Center 5023 is at 5.549123 -0.975785 -2.450821 ESP Fit Center 5024 is at 5.296916 -0.647103 -2.450821 ESP Fit Center 5025 is at 4.968233 -0.394896 -2.450821 ESP Fit Center 5026 is at 4.585474 -0.236352 -2.450821 ESP Fit Center 5027 is at 5.549123 -2.562806 -2.450821 ESP Fit Center 5028 is at 5.707667 -2.180047 -2.450821 ESP Fit Center 5029 is at 2.116529 -3.245035 -1.272306 ESP Fit Center 5030 is at 2.399905 -3.542231 -1.272306 ESP Fit Center 5031 is at 2.316401 -3.407815 -1.693701 ESP Fit Center 5032 is at 2.637431 -3.671277 -1.693701 ESP Fit Center 5033 is at 3.003691 -3.867047 -1.693701 ESP Fit Center 5034 is at 3.401106 -3.987601 -1.693701 ESP Fit Center 5035 is at 2.479101 -3.392816 -2.098902 ESP Fit Center 5036 is at 2.816614 -3.638034 -2.098902 ESP Fit Center 5037 is at 3.197736 -3.807721 -2.098902 ESP Fit Center 5038 is at 3.605809 -3.894459 -2.098902 ESP Fit Center 5039 is at 4.022999 -3.894459 -2.098902 ESP Fit Center 5040 is at 4.431072 -3.807721 -2.098902 ESP Fit Center 5041 is at 4.126272 -0.141122 -2.472338 ESP Fit Center 5042 is at 2.581932 -3.216156 -2.472338 ESP Fit Center 5043 is at 2.916417 -3.465171 -2.472338 ESP Fit Center 5044 is at 3.299313 -3.630336 -2.472338 ESP Fit Center 5045 is at 3.709977 -3.702747 -2.472338 ESP Fit Center 5046 is at 4.126272 -3.678501 -2.472338 ESP Fit Center 5047 is at 4.525753 -3.558904 -2.472338 ESP Fit Center 5048 is at 4.886886 -3.350404 -2.472338 ESP Fit Center 5049 is at 5.190200 -3.064242 -2.472338 ESP Fit Center 5050 is at 5.419345 -2.715843 -2.472338 ESP Fit Center 5051 is at 5.341755 -1.909812 -2.799657 ESP Fit Center 5052 is at 5.285116 -1.497737 -2.799657 ESP Fit Center 5053 is at 5.119402 -1.116225 -2.799657 ESP Fit Center 5054 is at 4.856902 -0.793569 -2.799657 ESP Fit Center 5055 is at 4.517085 -0.553699 -2.799657 ESP Fit Center 5056 is at 4.125153 -0.414407 -2.799657 ESP Fit Center 5057 is at 2.933611 -3.157611 -2.799657 ESP Fit Center 5058 is at 3.302925 -3.348974 -2.799657 ESP Fit Center 5059 is at 3.710174 -3.433602 -2.799657 ESP Fit Center 5060 is at 4.125153 -3.405216 -2.799657 ESP Fit Center 5061 is at 4.517085 -3.265924 -2.799657 ESP Fit Center 5062 is at 4.856902 -3.026054 -2.799657 ESP Fit Center 5063 is at 5.119402 -2.703398 -2.799657 ESP Fit Center 5064 is at 5.285116 -2.321886 -2.799657 ESP Fit Center 5065 is at 5.014436 -1.909812 -3.068280 ESP Fit Center 5066 is at 4.942065 -1.499377 -3.068280 ESP Fit Center 5067 is at 4.733682 -1.138446 -3.068280 ESP Fit Center 5068 is at 4.414420 -0.870554 -3.068280 ESP Fit Center 5069 is at 4.022787 -0.728011 -3.068280 ESP Fit Center 5070 is at 2.895126 -2.681177 -3.068280 ESP Fit Center 5071 is at 3.214388 -2.949069 -3.068280 ESP Fit Center 5072 is at 3.606021 -3.091612 -3.068280 ESP Fit Center 5073 is at 4.022787 -3.091612 -3.068280 ESP Fit Center 5074 is at 4.414420 -2.949069 -3.068280 ESP Fit Center 5075 is at 4.733682 -2.681177 -3.068280 ESP Fit Center 5076 is at 4.942065 -2.320247 -3.068280 ESP Fit Center 5077 is at 4.641000 -1.909812 -3.267886 ESP Fit Center 5078 is at 4.530257 -1.496513 -3.267886 ESP Fit Center 5079 is at 4.227702 -1.193958 -3.267886 ESP Fit Center 5080 is at 3.814404 -1.083215 -3.267886 ESP Fit Center 5081 is at 3.098551 -2.323110 -3.267886 ESP Fit Center 5082 is at 3.401106 -2.625665 -3.267886 ESP Fit Center 5083 is at 3.814404 -2.736408 -3.267886 ESP Fit Center 5084 is at 4.227702 -2.625665 -3.267886 ESP Fit Center 5085 is at 4.530257 -2.323110 -3.267886 ESP Fit Center 5086 is at 4.235799 -1.909812 -3.390802 ESP Fit Center 5087 is at 4.025102 -1.544873 -3.390802 ESP Fit Center 5088 is at 3.603706 -1.544873 -3.390802 ESP Fit Center 5089 is at 3.393009 -1.909812 -3.390802 ESP Fit Center 5090 is at 3.603706 -2.274750 -3.390802 ESP Fit Center 5091 is at 4.025102 -2.274750 -3.390802 ESP Fit Center 5092 is at 3.814404 -1.909812 -3.432306 ESP Fit Center 5093 is at 6.077499 -1.714176 1.744772 ESP Fit Center 5094 is at 5.966756 -1.300878 1.744772 ESP Fit Center 5095 is at 5.966756 -2.127474 1.744772 ESP Fit Center 5096 is at 6.450934 -1.714176 1.545167 ESP Fit Center 5097 is at 6.378564 -1.303741 1.545167 ESP Fit Center 5098 is at 6.170180 -0.942810 1.545167 ESP Fit Center 5099 is at 6.170180 -2.485541 1.545167 ESP Fit Center 5100 is at 6.378564 -2.124611 1.545167 ESP Fit Center 5101 is at 6.778253 -1.714176 1.276543 ESP Fit Center 5102 is at 6.721615 -1.302102 1.276543 ESP Fit Center 5103 is at 6.555901 -0.920589 1.276543 ESP Fit Center 5104 is at 6.293401 -0.597933 1.276543 ESP Fit Center 5105 is at 6.293401 -2.830419 1.276543 ESP Fit Center 5106 is at 6.555901 -2.507763 1.276543 ESP Fit Center 5107 is at 6.721615 -2.126250 1.276543 ESP Fit Center 5108 is at 7.046877 -1.714176 0.949224 ESP Fit Center 5109 is at 6.998466 -1.299996 0.949224 ESP Fit Center 5110 is at 6.855844 -0.908144 0.949224 ESP Fit Center 5111 is at 6.626699 -0.559746 0.949224 ESP Fit Center 5112 is at 6.323384 -0.273583 0.949224 ESP Fit Center 5113 is at 6.323384 -3.154769 0.949224 ESP Fit Center 5114 is at 6.626699 -2.868606 0.949224 ESP Fit Center 5115 is at 6.855844 -2.520208 0.949224 ESP Fit Center 5116 is at 6.998466 -2.128356 0.949224 ESP Fit Center 5117 is at 7.246482 -1.714176 0.575789 ESP Fit Center 5118 is at 7.202874 -1.299271 0.575789 ESP Fit Center 5119 is at 7.073956 -0.902500 0.575789 ESP Fit Center 5120 is at 6.865361 -0.541203 0.575789 ESP Fit Center 5121 is at 6.586206 -0.231171 0.575789 ESP Fit Center 5122 is at 6.248693 0.014047 0.575789 ESP Fit Center 5123 is at 6.248693 -3.442399 0.575789 ESP Fit Center 5124 is at 6.586206 -3.197181 0.575789 ESP Fit Center 5125 is at 6.865361 -2.887148 0.575789 ESP Fit Center 5126 is at 7.073956 -2.525851 0.575789 ESP Fit Center 5127 is at 7.202874 -2.129080 0.575789 ESP Fit Center 5128 is at 7.369399 -1.714176 0.170588 ESP Fit Center 5129 is at 7.328693 -1.300878 0.170588 ESP Fit Center 5130 is at 7.208138 -0.903462 0.170588 ESP Fit Center 5131 is at 7.012368 -0.537202 0.170588 ESP Fit Center 5132 is at 6.748906 -0.216173 0.170588 ESP Fit Center 5133 is at 6.427876 0.047289 0.170588 ESP Fit Center 5134 is at 6.061616 -3.671411 0.170588 ESP Fit Center 5135 is at 6.427876 -3.475641 0.170588 ESP Fit Center 5136 is at 6.748906 -3.212179 0.170588 ESP Fit Center 5137 is at 7.012368 -2.891149 0.170588 ESP Fit Center 5138 is at 7.208138 -2.524889 0.170588 ESP Fit Center 5139 is at 7.328693 -2.127474 0.170588 ESP Fit Center 5140 is at 7.410903 -1.714176 -0.250807 ESP Fit Center 5141 is at 7.371869 -1.305393 -0.250807 ESP Fit Center 5142 is at 7.256177 -0.911385 -0.250807 ESP Fit Center 5143 is at 7.068010 -0.546392 -0.250807 ESP Fit Center 5144 is at 6.814168 -0.223605 -0.250807 ESP Fit Center 5145 is at 6.503826 0.045308 -0.250807 ESP Fit Center 5146 is at 6.148199 0.250629 -0.250807 ESP Fit Center 5147 is at 6.148199 -3.678981 -0.250807 ESP Fit Center 5148 is at 6.503826 -3.473660 -0.250807 ESP Fit Center 5149 is at 6.814168 -3.204747 -0.250807 ESP Fit Center 5150 is at 7.068010 -2.881960 -0.250807 ESP Fit Center 5151 is at 7.256177 -2.516967 -0.250807 ESP Fit Center 5152 is at 7.371869 -2.122959 -0.250807 ESP Fit Center 5153 is at 7.369399 -1.714176 -0.672202 ESP Fit Center 5154 is at 7.328693 -1.300878 -0.672202 ESP Fit Center 5155 is at 7.208138 -0.903462 -0.672202 ESP Fit Center 5156 is at 7.012368 -0.537202 -0.672202 ESP Fit Center 5157 is at 6.748906 -0.216173 -0.672202 ESP Fit Center 5158 is at 6.427876 0.047289 -0.672202 ESP Fit Center 5159 is at 6.061616 0.243059 -0.672202 ESP Fit Center 5160 is at 6.061616 -3.671411 -0.672202 ESP Fit Center 5161 is at 6.427876 -3.475641 -0.672202 ESP Fit Center 5162 is at 6.748906 -3.212179 -0.672202 ESP Fit Center 5163 is at 7.012368 -2.891149 -0.672202 ESP Fit Center 5164 is at 7.208138 -2.524889 -0.672202 ESP Fit Center 5165 is at 7.328693 -2.127474 -0.672202 ESP Fit Center 5166 is at 7.246482 -1.714176 -1.077404 ESP Fit Center 5167 is at 7.202874 -1.299271 -1.077404 ESP Fit Center 5168 is at 7.073956 -0.902500 -1.077404 ESP Fit Center 5169 is at 6.865361 -0.541203 -1.077404 ESP Fit Center 5170 is at 6.586206 -0.231171 -1.077404 ESP Fit Center 5171 is at 6.248693 0.014047 -1.077404 ESP Fit Center 5172 is at 5.867571 0.183733 -1.077404 ESP Fit Center 5173 is at 6.248693 -3.442399 -1.077404 ESP Fit Center 5174 is at 6.586206 -3.197181 -1.077404 ESP Fit Center 5175 is at 6.865361 -2.887148 -1.077404 ESP Fit Center 5176 is at 7.073956 -2.525851 -1.077404 ESP Fit Center 5177 is at 7.202874 -2.129080 -1.077404 ESP Fit Center 5178 is at 7.046877 -1.714176 -1.450839 ESP Fit Center 5179 is at 6.998466 -1.299996 -1.450839 ESP Fit Center 5180 is at 6.855844 -0.908144 -1.450839 ESP Fit Center 5181 is at 6.626699 -0.559746 -1.450839 ESP Fit Center 5182 is at 6.323384 -0.273583 -1.450839 ESP Fit Center 5183 is at 5.962252 -0.065083 -1.450839 ESP Fit Center 5184 is at 6.323384 -3.154769 -1.450839 ESP Fit Center 5185 is at 6.626699 -2.868606 -1.450839 ESP Fit Center 5186 is at 6.855844 -2.520208 -1.450839 ESP Fit Center 5187 is at 6.998466 -2.128356 -1.450839 ESP Fit Center 5188 is at 6.778253 -1.714176 -1.778158 ESP Fit Center 5189 is at 6.721615 -1.302102 -1.778158 ESP Fit Center 5190 is at 6.555901 -0.920589 -1.778158 ESP Fit Center 5191 is at 6.293401 -0.597933 -1.778158 ESP Fit Center 5192 is at 5.953583 -0.358064 -1.778158 ESP Fit Center 5193 is at 6.293401 -2.830419 -1.778158 ESP Fit Center 5194 is at 6.555901 -2.507763 -1.778158 ESP Fit Center 5195 is at 6.721615 -2.126250 -1.778158 ESP Fit Center 5196 is at 6.450934 -1.714176 -2.046782 ESP Fit Center 5197 is at 6.378564 -1.303741 -2.046782 ESP Fit Center 5198 is at 6.170180 -0.942810 -2.046782 ESP Fit Center 5199 is at 6.170180 -2.485541 -2.046782 ESP Fit Center 5200 is at 6.378564 -2.124611 -2.046782 ESP Fit Center 5201 is at 6.077499 -1.714176 -2.246387 ESP Fit Center 5202 is at 5.966756 -1.300878 -2.246387 ESP Fit Center 5203 is at 3.827948 -2.562245 2.537719 ESP Fit Center 5204 is at 4.249343 -2.562245 2.496216 ESP Fit Center 5205 is at 3.617250 -2.927184 2.496216 ESP Fit Center 5206 is at 4.038645 -2.927184 2.496216 ESP Fit Center 5207 is at 4.654544 -2.562245 2.373299 ESP Fit Center 5208 is at 3.414650 -3.278098 2.373299 ESP Fit Center 5209 is at 3.827948 -3.388841 2.373299 ESP Fit Center 5210 is at 4.241246 -3.278098 2.373299 ESP Fit Center 5211 is at 4.543801 -2.975543 2.373299 ESP Fit Center 5212 is at 5.027980 -2.562245 2.173694 ESP Fit Center 5213 is at 2.908670 -3.333611 2.173694 ESP Fit Center 5214 is at 3.227932 -3.601503 2.173694 ESP Fit Center 5215 is at 3.619565 -3.744046 2.173694 ESP Fit Center 5216 is at 4.036331 -3.744046 2.173694 ESP Fit Center 5217 is at 4.427964 -3.601503 2.173694 ESP Fit Center 5218 is at 4.747225 -3.333611 2.173694 ESP Fit Center 5219 is at 4.955609 -2.972680 2.173694 ESP Fit Center 5220 is at 2.947155 -3.810045 1.905070 ESP Fit Center 5221 is at 3.316469 -4.001408 1.905070 ESP Fit Center 5222 is at 3.723718 -4.086035 1.905070 ESP Fit Center 5223 is at 4.138697 -4.057650 1.905070 ESP Fit Center 5224 is at 4.530629 -3.918357 1.905070 ESP Fit Center 5225 is at 4.870446 -3.678488 1.905070 ESP Fit Center 5226 is at 5.132946 -3.355832 1.905070 ESP Fit Center 5227 is at 5.298660 -2.974319 1.905070 ESP Fit Center 5228 is at 2.595475 -3.868590 1.577751 ESP Fit Center 5229 is at 2.929961 -4.117605 1.577751 ESP Fit Center 5230 is at 3.312857 -4.282770 1.577751 ESP Fit Center 5231 is at 3.723521 -4.355181 1.577751 ESP Fit Center 5232 is at 4.139816 -4.330935 1.577751 ESP Fit Center 5233 is at 4.539297 -4.211338 1.577751 ESP Fit Center 5234 is at 4.900429 -4.002838 1.577751 ESP Fit Center 5235 is at 5.203744 -3.716675 1.577751 ESP Fit Center 5236 is at 5.432889 -3.368277 1.577751 ESP Fit Center 5237 is at 2.492644 -4.045250 1.204316 ESP Fit Center 5238 is at 2.830158 -4.290468 1.204316 ESP Fit Center 5239 is at 3.211280 -4.460154 1.204316 ESP Fit Center 5240 is at 3.619353 -4.546893 1.204316 ESP Fit Center 5241 is at 4.036543 -4.546893 1.204316 ESP Fit Center 5242 is at 4.444616 -4.460154 1.204316 ESP Fit Center 5243 is at 4.825738 -4.290468 1.204316 ESP Fit Center 5244 is at 5.163251 -4.045250 1.204316 ESP Fit Center 5245 is at 5.442406 -3.735218 1.204316 ESP Fit Center 5246 is at 2.329945 -4.060248 0.799115 ESP Fit Center 5247 is at 2.650974 -4.323710 0.799115 ESP Fit Center 5248 is at 3.017234 -4.519480 0.799115 ESP Fit Center 5249 is at 3.414650 -4.640035 0.799115 ESP Fit Center 5250 is at 3.827948 -4.680741 0.799115 ESP Fit Center 5251 is at 4.241246 -4.640035 0.799115 ESP Fit Center 5252 is at 4.638661 -4.519480 0.799115 ESP Fit Center 5253 is at 5.004921 -4.323710 0.799115 ESP Fit Center 5254 is at 5.325951 -4.060248 0.799115 ESP Fit Center 5255 is at 2.130073 -3.897469 0.377719 ESP Fit Center 5256 is at 2.413449 -4.194664 0.377719 ESP Fit Center 5257 is at 2.747948 -4.432860 0.377719 ESP Fit Center 5258 is at 3.121481 -4.603447 0.377719 ESP Fit Center 5259 is at 3.520548 -4.700259 0.377719 ESP Fit Center 5260 is at 3.930725 -4.719799 0.377719 ESP Fit Center 5261 is at 4.337187 -4.661358 0.377719 ESP Fit Center 5262 is at 4.725244 -4.527050 0.377719 ESP Fit Center 5263 is at 5.080871 -4.321729 0.377719 ESP Fit Center 5264 is at 2.066483 -3.739219 -0.043676 ESP Fit Center 5265 is at 2.329945 -4.060248 -0.043676 ESP Fit Center 5266 is at 2.650974 -4.323710 -0.043676 ESP Fit Center 5267 is at 3.017234 -4.519480 -0.043676 ESP Fit Center 5268 is at 3.414650 -4.640035 -0.043676 ESP Fit Center 5269 is at 3.827948 -4.680741 -0.043676 ESP Fit Center 5270 is at 4.241246 -4.640035 -0.043676 ESP Fit Center 5271 is at 4.638661 -4.519480 -0.043676 ESP Fit Center 5272 is at 2.004895 -3.373921 -0.448877 ESP Fit Center 5273 is at 2.213490 -3.735218 -0.448877 ESP Fit Center 5274 is at 2.492644 -4.045250 -0.448877 ESP Fit Center 5275 is at 2.830158 -4.290468 -0.448877 ESP Fit Center 5276 is at 3.211280 -4.460154 -0.448877 ESP Fit Center 5277 is at 3.619353 -4.546893 -0.448877 ESP Fit Center 5278 is at 4.036543 -4.546893 -0.448877 ESP Fit Center 5279 is at 4.444616 -4.460154 -0.448877 ESP Fit Center 5280 is at 2.929961 -4.117605 -0.822312 ESP Fit Center 5281 is at 3.312857 -4.282770 -0.822312 ESP Fit Center 5282 is at 1.478562 3.901882 -0.431295 ESP Fit Center 5283 is at 2.115697 4.009753 -0.824944 ESP Fit Center 5284 is at 1.691494 4.046866 -0.824944 ESP Fit Center 5285 is at 1.267291 4.009753 -0.824944 ESP Fit Center 5286 is at 2.627883 3.934271 -1.235467 ESP Fit Center 5287 is at 2.220592 4.059003 -1.235467 ESP Fit Center 5288 is at 1.798080 4.113107 -1.235467 ESP Fit Center 5289 is at 1.372502 4.095029 -1.235467 ESP Fit Center 5290 is at 0.956101 4.005288 -1.235467 ESP Fit Center 5291 is at 4.202887 1.603977 -1.651667 ESP Fit Center 5292 is at 4.166763 2.028405 -1.651667 ESP Fit Center 5293 is at 3.350708 3.489210 -1.651667 ESP Fit Center 5294 is at 3.008235 3.742502 -1.651667 ESP Fit Center 5295 is at 2.627883 3.934271 -1.651667 ESP Fit Center 5296 is at 2.220592 4.059003 -1.651667 ESP Fit Center 5297 is at 1.798080 4.113107 -1.651667 ESP Fit Center 5298 is at 1.372502 4.095029 -1.651667 ESP Fit Center 5299 is at 0.956101 4.005288 -1.651667 ESP Fit Center 5300 is at 4.134382 1.603977 -2.062191 ESP Fit Center 5301 is at 4.097269 2.028180 -2.062191 ESP Fit Center 5302 is at 3.987058 2.439494 -2.062191 ESP Fit Center 5303 is at 3.807097 2.825422 -2.062191 ESP Fit Center 5304 is at 3.562855 3.174236 -2.062191 ESP Fit Center 5305 is at 3.261752 3.475339 -2.062191 ESP Fit Center 5306 is at 2.912938 3.719581 -2.062191 ESP Fit Center 5307 is at 2.527011 3.899542 -2.062191 ESP Fit Center 5308 is at 2.115697 4.009753 -2.062191 ESP Fit Center 5309 is at 1.691494 4.046866 -2.062191 ESP Fit Center 5310 is at 1.267291 4.009753 -2.062191 ESP Fit Center 5311 is at 0.855977 3.899542 -2.062191 ESP Fit Center 5312 is at 0.470049 3.719581 -2.062191 ESP Fit Center 5313 is at 3.999243 1.603977 -2.455840 ESP Fit Center 5314 is at 3.959949 2.028025 -2.455840 ESP Fit Center 5315 is at 3.843405 2.437632 -2.455840 ESP Fit Center 5316 is at 3.653581 2.818850 -2.455840 ESP Fit Center 5317 is at 3.396941 3.158698 -2.455840 ESP Fit Center 5318 is at 3.082223 3.445601 -2.455840 ESP Fit Center 5319 is at 2.720146 3.669789 -2.455840 ESP Fit Center 5320 is at 2.323039 3.823629 -2.455840 ESP Fit Center 5321 is at 1.904426 3.901882 -2.455840 ESP Fit Center 5322 is at 1.478562 3.901882 -2.455840 ESP Fit Center 5323 is at 1.059948 3.823629 -2.455840 ESP Fit Center 5324 is at 0.662842 3.669789 -2.455840 ESP Fit Center 5325 is at 0.300764 3.445601 -2.455840 ESP Fit Center 5326 is at 3.959949 1.179930 -2.455840 ESP Fit Center 5327 is at 3.801153 1.603977 -2.821877 ESP Fit Center 5328 is at 3.757968 2.028649 -2.821877 ESP Fit Center 5329 is at 3.630182 2.435934 -2.821877 ESP Fit Center 5330 is at 3.423025 2.809159 -2.821877 ESP Fit Center 5331 is at 3.144979 3.133043 -2.821877 ESP Fit Center 5332 is at 2.807428 3.394328 -2.821877 ESP Fit Center 5333 is at 2.424190 3.582315 -2.821877 ESP Fit Center 5334 is at 2.010955 3.689309 -2.821877 ESP Fit Center 5335 is at 1.584641 3.710929 -2.821877 ESP Fit Center 5336 is at 1.162702 3.646290 -2.821877 ESP Fit Center 5337 is at 0.762412 3.498039 -2.821877 ESP Fit Center 5338 is at 0.400159 3.272245 -2.821877 ESP Fit Center 5339 is at 0.090772 2.978151 -2.821877 ESP Fit Center 5340 is at -0.153080 2.627799 -2.821877 ESP Fit Center 5341 is at 3.757968 1.179306 -2.821877 ESP Fit Center 5342 is at 3.545518 1.603977 -3.150317 ESP Fit Center 5343 is at 3.495543 2.031545 -3.150317 ESP Fit Center 5344 is at 3.348310 2.436062 -3.150317 ESP Fit Center 5345 is at 3.111759 2.795721 -3.150317 ESP Fit Center 5346 is at 2.798640 3.091133 -3.150317 ESP Fit Center 5347 is at 2.425835 3.306372 -3.150317 ESP Fit Center 5348 is at 2.013442 3.429835 -3.150317 ESP Fit Center 5349 is at 1.583692 3.454865 -3.150317 ESP Fit Center 5350 is at 1.159754 3.380113 -3.150317 ESP Fit Center 5351 is at 0.764482 3.209609 -3.150317 ESP Fit Center 5352 is at 0.419185 2.952546 -3.150317 ESP Fit Center 5353 is at 0.142479 2.622780 -3.150317 ESP Fit Center 5354 is at 3.495543 1.176410 -3.150317 ESP Fit Center 5355 is at 3.239310 1.603977 -3.432201 ESP Fit Center 5356 is at 3.181913 2.021573 -3.432201 ESP Fit Center 5357 is at 3.013978 2.408198 -3.432201 ESP Fit Center 5358 is at 2.747960 2.735177 -3.432201 ESP Fit Center 5359 is at 2.403590 2.978260 -3.432201 ESP Fit Center 5360 is at 2.006406 3.119419 -3.432201 ESP Fit Center 5361 is at 1.585867 3.148185 -3.432201 ESP Fit Center 5362 is at 1.173162 3.062424 -3.432201 ESP Fit Center 5363 is at 0.798899 2.868496 -3.432201 ESP Fit Center 5364 is at 0.490835 2.580785 -3.432201 ESP Fit Center 5365 is at 0.271819 2.220629 -3.432201 ESP Fit Center 5366 is at 3.181913 1.186382 -3.432201 ESP Fit Center 5367 is at 2.890881 1.603977 -3.659841 ESP Fit Center 5368 is at 2.818549 2.014192 -3.659841 ESP Fit Center 5369 is at 2.610278 2.374929 -3.659841 ESP Fit Center 5370 is at 2.291187 2.642677 -3.659841 ESP Fit Center 5371 is at 1.899765 2.785143 -3.659841 ESP Fit Center 5372 is at 1.483222 2.785143 -3.659841 ESP Fit Center 5373 is at 1.091800 2.642677 -3.659841 ESP Fit Center 5374 is at 0.772710 2.374929 -3.659841 ESP Fit Center 5375 is at 0.564438 2.014192 -3.659841 ESP Fit Center 5376 is at 2.509736 1.603977 -3.827027 ESP Fit Center 5377 is at 2.400113 2.013099 -3.827027 ESP Fit Center 5378 is at 2.100615 2.312596 -3.827027 ESP Fit Center 5379 is at 1.691494 2.422220 -3.827027 ESP Fit Center 5380 is at 1.282372 2.312596 -3.827027 ESP Fit Center 5381 is at 0.982875 2.013099 -3.827027 ESP Fit Center 5382 is at 2.106272 1.603977 -3.929198 ESP Fit Center 5383 is at 1.898883 1.963186 -3.929198 ESP Fit Center 5384 is at 1.484105 1.963186 -3.929198 ESP Fit Center 5385 is at 1.691494 1.603977 -3.963567 ESP Fit Center 5386 is at -0.879046 0.342612 1.968681 ESP Fit Center 5387 is at -1.989616 0.753363 -2.882423 ESP Fit Center 5388 is at -1.395670 1.130525 -3.103795 ESP Fit Center 5389 is at -1.608524 0.761852 -3.103795 ESP Fit Center 5390 is at -1.682447 0.342612 -3.103795 ESP Fit Center 5391 is at -1.179237 0.759785 -3.265930 ESP Fit Center 5392 is at -1.291018 0.342612 -3.265930 ESP Fit Center 5393 is at -1.179237 -0.074561 -3.265930 ESP Fit Center 5394 is at 1.278603 -3.129272 -0.966554 ESP Fit Center 5395 is at 1.704467 -3.129272 -0.966554 ESP Fit Center 5396 is at 1.067332 -3.237143 -1.360203 ESP Fit Center 5397 is at 1.491535 -3.274256 -1.360203 ESP Fit Center 5398 is at 1.915738 -3.237143 -1.360203 ESP Fit Center 5399 is at 0.756142 -3.232678 -1.770726 ESP Fit Center 5400 is at 1.172543 -3.322419 -1.770726 ESP Fit Center 5401 is at 1.598121 -3.340498 -1.770726 ESP Fit Center 5402 is at 2.020633 -3.286393 -1.770726 ESP Fit Center 5403 is at 0.360896 -3.073855 -2.186926 ESP Fit Center 5404 is at 0.756142 -3.232678 -2.186926 ESP Fit Center 5405 is at 1.172543 -3.322419 -2.186926 ESP Fit Center 5406 is at 1.598121 -3.340498 -2.186926 ESP Fit Center 5407 is at 2.020633 -3.286393 -2.186926 ESP Fit Center 5408 is at 0.270091 -2.946971 -2.597450 ESP Fit Center 5409 is at 0.656018 -3.126932 -2.597450 ESP Fit Center 5410 is at 1.067332 -3.237143 -2.597450 ESP Fit Center 5411 is at 1.491535 -3.274256 -2.597450 ESP Fit Center 5412 is at 1.915738 -3.237143 -2.597450 ESP Fit Center 5413 is at 2.327052 -3.126932 -2.597450 ESP Fit Center 5414 is at 3.759990 -0.407320 -2.991099 ESP Fit Center 5415 is at -0.470553 -2.046241 -2.991099 ESP Fit Center 5416 is at -0.213912 -2.386088 -2.991099 ESP Fit Center 5417 is at 0.100806 -2.672991 -2.991099 ESP Fit Center 5418 is at 0.462883 -2.897180 -2.991099 ESP Fit Center 5419 is at 0.859989 -3.051020 -2.991099 ESP Fit Center 5420 is at 1.278603 -3.129272 -2.991099 ESP Fit Center 5421 is at 1.704467 -3.129272 -2.991099 ESP Fit Center 5422 is at 2.123080 -3.051020 -2.991099 ESP Fit Center 5423 is at 2.520187 -2.897180 -2.991099 ESP Fit Center 5424 is at 3.601194 -0.831368 -3.357136 ESP Fit Center 5425 is at 3.558010 -0.406696 -3.357136 ESP Fit Center 5426 is at 3.430223 0.000589 -3.357136 ESP Fit Center 5427 is at -0.607301 -1.044798 -3.357136 ESP Fit Center 5428 is at -0.521374 -1.462922 -3.357136 ESP Fit Center 5429 is at -0.353039 -1.855190 -3.357136 ESP Fit Center 5430 is at -0.109186 -2.205542 -3.357136 ESP Fit Center 5431 is at 0.200200 -2.499635 -3.357136 ESP Fit Center 5432 is at 0.562453 -2.725430 -3.357136 ESP Fit Center 5433 is at 0.962743 -2.873681 -3.357136 ESP Fit Center 5434 is at 1.384682 -2.938320 -3.357136 ESP Fit Center 5435 is at 1.810996 -2.916699 -3.357136 ESP Fit Center 5436 is at 2.224231 -2.809705 -3.357136 ESP Fit Center 5437 is at 2.607469 -2.621718 -3.357136 ESP Fit Center 5438 is at 2.945021 -2.360434 -3.357136 ESP Fit Center 5439 is at 3.223066 -2.036549 -3.357136 ESP Fit Center 5440 is at 3.558010 -1.256039 -3.357136 ESP Fit Center 5441 is at 3.345559 -0.831368 -3.685576 ESP Fit Center 5442 is at 3.295584 -0.403800 -3.685576 ESP Fit Center 5443 is at 3.148352 0.000717 -3.685576 ESP Fit Center 5444 is at -0.349953 -0.616129 -3.685576 ESP Fit Center 5445 is at -0.349953 -1.046607 -3.685576 ESP Fit Center 5446 is at -0.250678 -1.465481 -3.685576 ESP Fit Center 5447 is at -0.057480 -1.850171 -3.685576 ESP Fit Center 5448 is at 0.219226 -2.179936 -3.685576 ESP Fit Center 5449 is at 0.564523 -2.437000 -3.685576 ESP Fit Center 5450 is at 0.959795 -2.607504 -3.685576 ESP Fit Center 5451 is at 1.383733 -2.682255 -3.685576 ESP Fit Center 5452 is at 1.813483 -2.657225 -3.685576 ESP Fit Center 5453 is at 2.225876 -2.533763 -3.685576 ESP Fit Center 5454 is at 2.598681 -2.318524 -3.685576 ESP Fit Center 5455 is at 2.911800 -2.023112 -3.685576 ESP Fit Center 5456 is at 3.148352 -1.663452 -3.685576 ESP Fit Center 5457 is at 3.295584 -1.258935 -3.685576 ESP Fit Center 5458 is at 3.039351 -0.831368 -3.967461 ESP Fit Center 5459 is at 2.981954 -0.413772 -3.967461 ESP Fit Center 5460 is at 2.814019 -0.027147 -3.967461 ESP Fit Center 5461 is at 2.548002 0.299832 -3.967461 ESP Fit Center 5462 is at 0.071861 -0.214716 -3.967461 ESP Fit Center 5463 is at -0.041865 -0.620607 -3.967461 ESP Fit Center 5464 is at -0.041865 -1.042129 -3.967461 ESP Fit Center 5465 is at 0.071861 -1.448019 -3.967461 ESP Fit Center 5466 is at 0.290877 -1.808176 -3.967461 ESP Fit Center 5467 is at 0.598940 -2.095887 -3.967461 ESP Fit Center 5468 is at 0.973203 -2.289814 -3.967461 ESP Fit Center 5469 is at 1.385908 -2.375575 -3.967461 ESP Fit Center 5470 is at 1.806447 -2.346810 -3.967461 ESP Fit Center 5471 is at 2.203631 -2.205651 -3.967461 ESP Fit Center 5472 is at 2.548002 -1.962567 -3.967461 ESP Fit Center 5473 is at 2.814019 -1.635588 -3.967461 ESP Fit Center 5474 is at 2.981954 -1.248964 -3.967461 ESP Fit Center 5475 is at 2.690922 -0.831368 -4.195100 ESP Fit Center 5476 is at 2.618590 -0.421153 -4.195100 ESP Fit Center 5477 is at 2.410319 -0.060416 -4.195100 ESP Fit Center 5478 is at 2.091229 0.207332 -4.195100 ESP Fit Center 5479 is at 0.572751 -0.060416 -4.195100 ESP Fit Center 5480 is at 0.364479 -0.421153 -4.195100 ESP Fit Center 5481 is at 0.292147 -0.831368 -4.195100 ESP Fit Center 5482 is at 0.364479 -1.241582 -4.195100 ESP Fit Center 5483 is at 0.572751 -1.602319 -4.195100 ESP Fit Center 5484 is at 0.891841 -1.870068 -4.195100 ESP Fit Center 5485 is at 1.283263 -2.012534 -4.195100 ESP Fit Center 5486 is at 1.699806 -2.012534 -4.195100 ESP Fit Center 5487 is at 2.091229 -1.870068 -4.195100 ESP Fit Center 5488 is at 2.410319 -1.602319 -4.195100 ESP Fit Center 5489 is at 2.618590 -1.241582 -4.195100 ESP Fit Center 5490 is at 2.309778 -0.831368 -4.362286 ESP Fit Center 5491 is at 2.200154 -0.422246 -4.362286 ESP Fit Center 5492 is at 1.900656 -0.122749 -4.362286 ESP Fit Center 5493 is at 1.491535 -0.013125 -4.362286 ESP Fit Center 5494 is at 1.082414 -0.122749 -4.362286 ESP Fit Center 5495 is at 0.782916 -0.422246 -4.362286 ESP Fit Center 5496 is at 0.673292 -0.831368 -4.362286 ESP Fit Center 5497 is at 0.782916 -1.240489 -4.362286 ESP Fit Center 5498 is at 1.082414 -1.539987 -4.362286 ESP Fit Center 5499 is at 1.491535 -1.649610 -4.362286 ESP Fit Center 5500 is at 1.900656 -1.539987 -4.362286 ESP Fit Center 5501 is at 2.200154 -1.240489 -4.362286 ESP Fit Center 5502 is at 1.906313 -0.831368 -4.464457 ESP Fit Center 5503 is at 1.698924 -0.472159 -4.464457 ESP Fit Center 5504 is at 1.284146 -0.472159 -4.464457 ESP Fit Center 5505 is at 1.076757 -0.831368 -4.464457 ESP Fit Center 5506 is at 1.284146 -1.190576 -4.464457 ESP Fit Center 5507 is at 1.698924 -1.190576 -4.464457 ESP Fit Center 5508 is at 1.491535 -0.831368 -4.498826 ESP Fit Center 5509 is at -1.055613 1.560546 2.245630 ESP Fit Center 5510 is at -0.633240 1.560546 2.212388 ESP Fit Center 5511 is at -0.844427 1.926332 2.212388 ESP Fit Center 5512 is at -0.844427 1.194761 2.212388 ESP Fit Center 5513 is at -0.221268 1.560546 2.113482 ESP Fit Center 5514 is at -0.333049 1.977719 2.113482 ESP Fit Center 5515 is at -0.638440 2.283111 2.113482 ESP Fit Center 5516 is at -1.055613 2.394892 2.113482 ESP Fit Center 5517 is at -1.055613 0.726201 2.113482 ESP Fit Center 5518 is at -0.638440 0.837982 2.113482 ESP Fit Center 5519 is at -0.333049 1.143374 2.113482 ESP Fit Center 5520 is at -0.116616 2.348459 1.951347 ESP Fit Center 5521 is at -0.442726 2.622098 1.951347 ESP Fit Center 5522 is at -0.842760 2.767699 1.951347 ESP Fit Center 5523 is at 0.066579 2.682739 1.729975 ESP Fit Center 5524 is at -0.262103 2.934946 1.729975 ESP Fit Center 5525 is at -0.644862 3.093490 1.729975 ESP Fit Center 5526 is at -1.055613 3.147567 1.729975 ESP Fit Center 5527 is at 0.437050 2.750906 1.454818 ESP Fit Center 5528 is at -0.630779 3.421867 1.454818 ESP Fit Center 5529 is at -1.055613 3.469735 1.454818 ESP Fit Center 5530 is at -1.878417 3.821182 -1.680145 ESP Fit Center 5531 is at -1.770043 3.624755 -2.041391 ESP Fit Center 5532 is at -1.055613 3.469735 -2.363559 ESP Fit Center 5533 is at -1.480448 3.421867 -2.363559 ESP Fit Center 5534 is at -1.883979 3.280666 -2.363559 ESP Fit Center 5535 is at -0.262103 2.934946 -2.638716 ESP Fit Center 5536 is at -0.644862 3.093490 -2.638716 ESP Fit Center 5537 is at -1.055613 3.147567 -2.638716 ESP Fit Center 5538 is at -1.466364 3.093490 -2.638716 ESP Fit Center 5539 is at -1.849124 2.934946 -2.638716 ESP Fit Center 5540 is at -2.177806 2.682739 -2.638716 ESP Fit Center 5541 is at -0.442726 2.622098 -2.860088 ESP Fit Center 5542 is at -0.842760 2.767699 -2.860088 ESP Fit Center 5543 is at -1.268467 2.767699 -2.860088 ESP Fit Center 5544 is at -1.668501 2.622098 -2.860088 ESP Fit Center 5545 is at -1.994611 2.348459 -2.860088 ESP Fit Center 5546 is at -2.207465 1.979786 -2.860088 ESP Fit Center 5547 is at -2.281388 1.560546 -2.860088 ESP Fit Center 5548 is at -2.207465 1.141307 -2.860088 ESP Fit Center 5549 is at -0.638440 2.283111 -3.022223 ESP Fit Center 5550 is at -1.055613 2.394892 -3.022223 ESP Fit Center 5551 is at -1.472786 2.283111 -3.022223 ESP Fit Center 5552 is at -1.778178 1.977719 -3.022223 ESP Fit Center 5553 is at -1.889959 1.560546 -3.022223 ESP Fit Center 5554 is at -1.778178 1.143374 -3.022223 ESP Fit Center 5555 is at -0.844427 1.926332 -3.121129 ESP Fit Center 5556 is at -1.266800 1.926332 -3.121129 ESP Fit Center 5557 is at -1.477986 1.560546 -3.121129 ESP Fit Center 5558 is at -1.055613 1.560546 -3.154370 ESP Fit Center 5559 is at -2.404704 1.608064 2.564873 ESP Fit Center 5560 is at -1.982331 1.608064 2.531632 ESP Fit Center 5561 is at -2.193518 1.973850 2.531632 ESP Fit Center 5562 is at -2.615891 1.973850 2.531632 ESP Fit Center 5563 is at -2.827077 1.608064 2.531632 ESP Fit Center 5564 is at -2.615891 1.242279 2.531632 ESP Fit Center 5565 is at -2.193518 1.242279 2.531632 ESP Fit Center 5566 is at -1.570358 1.608064 2.432726 ESP Fit Center 5567 is at -1.682140 2.025237 2.432726 ESP Fit Center 5568 is at -1.987531 2.330629 2.432726 ESP Fit Center 5569 is at -2.404704 2.442410 2.432726 ESP Fit Center 5570 is at -2.821877 2.330629 2.432726 ESP Fit Center 5571 is at -1.987531 0.885500 2.432726 ESP Fit Center 5572 is at -1.682140 1.190891 2.432726 ESP Fit Center 5573 is at -1.178930 1.608064 2.270591 ESP Fit Center 5574 is at -1.252853 2.027304 2.270591 ESP Fit Center 5575 is at -1.465707 2.395977 2.270591 ESP Fit Center 5576 is at -1.791817 2.669616 2.270591 ESP Fit Center 5577 is at -2.191851 2.815216 2.270591 ESP Fit Center 5578 is at -2.617558 2.815216 2.270591 ESP Fit Center 5579 is at -1.465707 0.820152 2.270591 ESP Fit Center 5580 is at -1.252853 1.188825 2.270591 ESP Fit Center 5581 is at -1.282512 2.730257 2.049219 ESP Fit Center 5582 is at -1.611194 2.982464 2.049219 ESP Fit Center 5583 is at -1.993953 3.141008 2.049219 ESP Fit Center 5584 is at -1.282512 0.485872 2.049219 ESP Fit Center 5585 is at -1.214345 3.100728 1.774062 ESP Fit Center 5586 is at -1.576338 3.328184 1.774062 ESP Fit Center 5587 is at -1.497294 3.595015 1.451893 ESP Fit Center 5588 is at -1.986956 3.977234 -1.360901 ESP Fit Center 5589 is at -2.300769 3.789936 -1.722147 ESP Fit Center 5590 is at -2.404704 3.517253 -2.044315 ESP Fit Center 5591 is at -2.829539 3.469385 -2.044315 ESP Fit Center 5592 is at -3.233070 3.328184 -2.044315 ESP Fit Center 5593 is at -3.595064 3.100728 -2.044315 ESP Fit Center 5594 is at -2.404704 3.195085 -2.319473 ESP Fit Center 5595 is at -2.815455 3.141008 -2.319473 ESP Fit Center 5596 is at -3.198214 2.982464 -2.319473 ESP Fit Center 5597 is at -3.526897 2.730257 -2.319473 ESP Fit Center 5598 is at -3.779104 2.401574 -2.319473 ESP Fit Center 5599 is at -3.937648 2.018815 -2.319473 ESP Fit Center 5600 is at -2.617558 2.815216 -2.540844 ESP Fit Center 5601 is at -3.017591 2.669616 -2.540844 ESP Fit Center 5602 is at -3.343702 2.395977 -2.540844 ESP Fit Center 5603 is at -3.556555 2.027304 -2.540844 ESP Fit Center 5604 is at -3.630479 1.608064 -2.540844 ESP Fit Center 5605 is at -2.404704 2.442410 -2.702979 ESP Fit Center 5606 is at -2.821877 2.330629 -2.702979 ESP Fit Center 5607 is at -3.127269 2.025237 -2.702979 ESP Fit Center 5608 is at -3.239050 1.608064 -2.702979 ESP Fit Center 5609 is at -3.127269 1.190891 -2.702979 ESP Fit Center 5610 is at -2.821877 0.885500 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ESP Fit Center 5756 is at -3.481538 4.457518 -0.784241 ESP Fit Center 5757 is at -3.862660 4.287831 -0.784241 ESP Fit Center 5758 is at -2.153521 4.208701 -1.157677 ESP Fit Center 5759 is at -2.553002 4.328298 -1.157677 ESP Fit Center 5760 is at -2.969296 4.352544 -1.157677 ESP Fit Center 5761 is at -3.379961 4.280133 -1.157677 ESP Fit Center 5762 is at -3.762857 4.114968 -1.157677 ESP Fit Center 5763 is at -2.554121 4.055013 -1.484996 ESP Fit Center 5764 is at -2.969100 4.083399 -1.484996 ESP Fit Center 5765 is at -3.376348 3.998771 -1.484996 ESP Fit Center 5766 is at -3.745663 3.807408 -1.484996 ESP Fit Center 5767 is at -3.073253 3.741409 -1.753620 ESP Fit Center 5768 is at -3.464886 3.598867 -1.753620 ESP Fit Center 5769 is at -3.784147 3.330974 -1.753620 ESP Fit Center 5770 is at -4.028842 0.383613 2.738836 ESP Fit Center 5771 is at -4.651009 0.024404 2.738836 ESP Fit Center 5772 is at -4.236231 0.024404 2.738836 ESP Fit Center 5773 is at -3.625377 0.383613 2.636665 ESP Fit Center 5774 is at -5.992635 -0.635190 1.959955 ESP Fit Center 5775 is at -6.044341 -0.990562 1.631515 ESP Fit Center 5776 is at -6.405708 -0.831261 1.265478 ESP Fit Center 5777 is at -6.149067 -1.171108 1.265478 ESP Fit Center 5778 is at -6.314981 -1.186646 0.871829 ESP Fit Center 5779 is at -6.013879 -1.487749 0.871829 ESP Fit Center 5780 is at -6.524333 -1.022704 0.461305 ESP Fit Center 5781 is at -6.256735 -1.354118 0.461305 ESP Fit Center 5782 is at -5.936978 -1.635540 0.461305 ESP Fit Center 5783 is at -6.524333 -1.022704 0.045105 ESP Fit Center 5784 is at -6.256735 -1.354118 0.045105 ESP Fit Center 5785 is at -5.936978 -1.635540 0.045105 ESP Fit Center 5786 is at -6.559224 -0.837832 -0.365418 ESP Fit Center 5787 is at -6.314981 -1.186646 -0.365418 ESP Fit Center 5788 is at -6.013879 -1.487749 -0.365418 ESP Fit Center 5789 is at -6.595532 -0.450042 -0.759067 ESP Fit Center 5790 is at -6.405708 -0.831261 -0.759067 ESP Fit Center 5791 is at -6.149067 -1.171108 -0.759067 ESP Fit Center 5792 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Center 5828 is at -5.514655 -2.367252 -1.277806 ESP Fit Center 5829 is at -5.398112 -2.776859 -1.277806 ESP Fit Center 5830 is at -5.208288 -3.158078 -1.277806 ESP Fit Center 5831 is at -4.951647 -3.497925 -1.277806 ESP Fit Center 5832 is at -4.636929 -3.784828 -1.277806 ESP Fit Center 5833 is at -4.274852 -4.009016 -1.277806 ESP Fit Center 5834 is at -3.877745 -4.162856 -1.277806 ESP Fit Center 5835 is at -3.459132 -4.241109 -1.277806 ESP Fit Center 5836 is at -3.033268 -4.241109 -1.277806 ESP Fit Center 5837 is at -2.614655 -4.162856 -1.277806 ESP Fit Center 5838 is at -2.217548 -4.009016 -1.277806 ESP Fit Center 5839 is at -1.855471 -3.784828 -1.277806 ESP Fit Center 5840 is at -5.259109 -1.311650 -1.643842 ESP Fit Center 5841 is at -5.345036 -1.729774 -1.643842 ESP Fit Center 5842 is at -5.345036 -2.156635 -1.643842 ESP Fit Center 5843 is at -5.259109 -2.574759 -1.643842 ESP Fit Center 5844 is at -5.090774 -2.967026 -1.643842 ESP Fit Center 5845 is at -4.846921 -3.317379 -1.643842 ESP Fit Center 5846 is at -4.537535 -3.611472 -1.643842 ESP Fit Center 5847 is at -4.175282 -3.837266 -1.643842 ESP Fit Center 5848 is at -3.774992 -3.985518 -1.643842 ESP Fit Center 5849 is at -3.353053 -4.050156 -1.643842 ESP Fit Center 5850 is at -2.926739 -4.028536 -1.643842 ESP Fit Center 5851 is at -2.513504 -3.921542 -1.643842 ESP Fit Center 5852 is at -2.130266 -3.733555 -1.643842 ESP Fit Center 5853 is at -4.795215 -0.924401 -1.972283 ESP Fit Center 5854 is at -4.988413 -1.309091 -1.972283 ESP Fit Center 5855 is at -5.087688 -1.727965 -1.972283 ESP Fit Center 5856 is at -5.087688 -2.158444 -1.972283 ESP Fit Center 5857 is at -4.988413 -2.577318 -1.972283 ESP Fit Center 5858 is at -4.795215 -2.962007 -1.972283 ESP Fit Center 5859 is at -4.518509 -3.291773 -1.972283 ESP Fit Center 5860 is at -4.173212 -3.548837 -1.972283 ESP Fit Center 5861 is at -3.777940 -3.719340 -1.972283 ESP Fit Center 5862 is at -3.354002 -3.794092 -1.972283 ESP Fit Center 5863 is at -2.924252 -3.769062 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Center 6118 is at -2.247206 -1.016761 2.921117 ESP Fit Center 6119 is at -5.157685 -3.337791 2.921117 ESP Fit Center 6120 is at -4.930229 -3.699784 2.921117 ESP Fit Center 6121 is at -4.627925 -4.002088 2.921117 ESP Fit Center 6122 is at -4.265931 -4.229544 2.921117 ESP Fit Center 6123 is at -3.862400 -4.370746 2.921117 ESP Fit Center 6124 is at -3.437566 -4.418613 2.921117 ESP Fit Center 6125 is at -3.012731 -4.370746 2.921117 ESP Fit Center 6126 is at -1.856680 -1.002054 2.598948 ESP Fit Center 6127 is at -2.170521 -0.730109 2.598948 ESP Fit Center 6128 is at -2.530155 -0.522474 2.598948 ESP Fit Center 6129 is at -5.533430 -3.124826 2.598948 ESP Fit Center 6130 is at -5.379090 -3.510350 2.598948 ESP Fit Center 6131 is at -3.333630 -4.691297 2.598948 ESP Fit Center 6132 is at -2.922586 -4.632197 2.598948 ESP Fit Center 6133 is at -5.806735 -2.927173 2.237703 ESP Fit Center 6134 is at -5.698201 -3.332229 2.237703 ESP Fit Center 6135 is at -3.019817 -4.878594 2.237703 ESP Fit Center 6136 is at -2.614762 -4.770060 2.237703 ESP Fit Center 6137 is at -5.970396 -2.932079 1.846274 ESP Fit Center 6138 is at -2.807195 -4.998702 1.846274 ESP Fit Center 6139 is at -6.104324 -2.509425 1.434301 ESP Fit Center 6140 is at -6.071492 -2.926598 1.434301 ESP Fit Center 6141 is at -2.613492 -5.045663 1.434301 ESP Fit Center 6142 is at -6.066543 -1.894220 1.011928 ESP Fit Center 6143 is at -6.129643 -2.302742 1.011928 ESP Fit Center 6144 is at -6.129643 -2.716108 1.011928 ESP Fit Center 6145 is at -2.524920 -5.050503 1.011928 ESP Fit Center 6146 is at -2.147722 -4.881408 1.011928 ESP Fit Center 6147 is at -5.973804 -1.685351 0.589555 ESP Fit Center 6148 is at -6.071492 -2.092252 0.589555 ESP Fit Center 6149 is at -6.104324 -2.509425 0.589555 ESP Fit Center 6150 is at -2.226883 -4.885524 0.589555 ESP Fit Center 6151 is at -1.870084 -4.666878 0.589555 ESP Fit Center 6152 is at -5.970396 -2.086770 0.177582 ESP Fit Center 6153 is at -6.005418 -2.509425 0.177582 ESP Fit Center 6154 is at 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6209 is at -7.181112 -0.466576 1.489249 ESP Fit Center 6210 is at -6.799990 -0.636263 1.489249 ESP Fit Center 6211 is at -6.391917 -0.723001 1.489249 ESP Fit Center 6212 is at -7.360295 3.023112 1.084048 ESP Fit Center 6213 is at -7.681325 2.759650 1.084048 ESP Fit Center 6214 is at -7.944787 2.438620 1.084048 ESP Fit Center 6215 is at -8.140557 2.072360 1.084048 ESP Fit Center 6216 is at -8.261112 1.674945 1.084048 ESP Fit Center 6217 is at -8.301818 1.261647 1.084048 ESP Fit Center 6218 is at -8.261112 0.848348 1.084048 ESP Fit Center 6219 is at -8.140557 0.450933 1.084048 ESP Fit Center 6220 is at -7.944787 0.084673 1.084048 ESP Fit Center 6221 is at -7.681325 -0.236357 1.084048 ESP Fit Center 6222 is at -7.360295 -0.499819 1.084048 ESP Fit Center 6223 is at -6.994035 -0.695589 1.084048 ESP Fit Center 6224 is at -6.596620 -0.816143 1.084048 ESP Fit Center 6225 is at -7.597821 2.894066 0.662653 ESP Fit Center 6226 is at -7.881197 2.596870 0.662653 ESP Fit Center 6227 is at -8.103207 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Fit Center 6246 is at -7.360295 -0.499819 0.241258 ESP Fit Center 6247 is at -6.994035 -0.695589 0.241258 ESP Fit Center 6248 is at -7.518625 2.744651 -0.163943 ESP Fit Center 6249 is at -7.797780 2.434619 -0.163943 ESP Fit Center 6250 is at -8.006375 2.073322 -0.163943 ESP Fit Center 6251 is at -8.135294 1.676551 -0.163943 ESP Fit Center 6252 is at -8.178902 1.261647 -0.163943 ESP Fit Center 6253 is at -8.135294 0.846742 -0.163943 ESP Fit Center 6254 is at -8.006375 0.449971 -0.163943 ESP Fit Center 6255 is at -7.797780 0.088674 -0.163943 ESP Fit Center 6256 is at -7.518625 -0.221358 -0.163943 ESP Fit Center 6257 is at -7.181112 -0.466576 -0.163943 ESP Fit Center 6258 is at -6.799990 -0.636263 -0.163943 ESP Fit Center 6259 is at -7.683837 2.248551 -0.537379 ESP Fit Center 6260 is at -7.870986 1.875906 -0.537379 ESP Fit Center 6261 is at -7.967153 1.470146 -0.537379 ESP Fit Center 6262 is at -7.967153 1.053147 -0.537379 ESP Fit Center 6263 is at -7.870986 0.647387 -0.537379 ESP Fit Center 6264 is at -7.683837 0.274742 -0.537379 ESP Fit Center 6265 is at -7.415794 -0.044698 -0.537379 ESP Fit Center 6266 is at -7.081309 -0.293713 -0.537379 ESP Fit Center 6267 is at -6.698413 -0.458878 -0.537379 ESP Fit Center 6268 is at -7.584225 1.870145 -0.864698 ESP Fit Center 6269 is at -7.696447 1.469621 -0.864698 ESP Fit Center 6270 is at -7.696447 1.053672 -0.864698 ESP Fit Center 6271 is at -7.584225 0.653148 -0.864698 ESP Fit Center 6272 is at -7.368105 0.297754 -0.864698 ESP Fit Center 6273 is at -7.064115 0.013847 -0.864698 ESP Fit Center 6274 is at -7.383354 1.261647 -1.133321 ESP Fit Center 6275 is at -7.310983 0.851212 -1.133321 ESP Fit Center 6276 is at -7.102600 0.490281 -1.133321 ESP Fit Center 6277 is at -4.340698 4.154001 0.000710 ESP Fit Center 6278 is at -4.738113 4.274556 0.000710 ESP Fit Center 6279 is at -5.151412 4.315262 0.000710 ESP Fit Center 6280 is at -5.564710 4.274556 0.000710 ESP Fit Center 6281 is at -5.962125 4.154001 0.000710 ESP Fit Center 6282 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ESP Fit Center 6355 is at -4.738113 1.480913 -2.416265 ESP Fit Center 6356 is at -4.435558 1.783468 -2.416265 ESP Fit Center 6357 is at -4.730016 2.196766 -2.539182 ESP Fit Center 6358 is at -4.940714 2.561705 -2.539182 ESP Fit Center 6359 is at -5.362109 2.561705 -2.539182 ESP Fit Center 6360 is at -5.572807 2.196766 -2.539182 ESP Fit Center 6361 is at -5.362109 1.831827 -2.539182 ESP Fit Center 6362 is at -4.940714 1.831827 -2.539182 ESP Fit Center 6363 is at -5.151412 2.196766 -2.580685 ESP Fit Center 6364 is at -4.784480 2.119740 3.471221 ESP Fit Center 6365 is at -4.363085 2.119740 3.429718 ESP Fit Center 6366 is at -4.573782 2.484679 3.429718 ESP Fit Center 6367 is at -4.995177 2.484679 3.429718 ESP Fit Center 6368 is at -5.205875 2.119740 3.429718 ESP Fit Center 6369 is at -4.995177 1.754801 3.429718 ESP Fit Center 6370 is at -4.573782 1.754801 3.429718 ESP Fit Center 6371 is at -3.957884 2.119740 3.306801 ESP Fit Center 6372 is at -4.068627 2.533038 3.306801 ESP Fit Center 6373 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is at -6.185383 2.728238 2.838572 ESP Fit Center 6411 is at -6.297605 2.327714 2.838572 ESP Fit Center 6412 is at -4.081799 0.763628 2.838572 ESP Fit Center 6413 is at -3.741982 1.003497 2.838572 ESP Fit Center 6414 is at -3.479482 1.326153 2.838572 ESP Fit Center 6415 is at -3.313768 1.707666 2.838572 ESP Fit Center 6416 is at -2.988506 2.119740 2.511253 ESP Fit Center 6417 is at -3.036916 2.533920 2.511253 ESP Fit Center 6418 is at -3.179539 2.925772 2.511253 ESP Fit Center 6419 is at -3.408684 3.274170 2.511253 ESP Fit Center 6420 is at -3.711998 3.560333 2.511253 ESP Fit Center 6421 is at -4.073131 3.768833 2.511253 ESP Fit Center 6422 is at -4.472612 3.888430 2.511253 ESP Fit Center 6423 is at -4.888907 3.912676 2.511253 ESP Fit Center 6424 is at -5.299571 3.840265 2.511253 ESP Fit Center 6425 is at -5.682467 3.675099 2.511253 ESP Fit Center 6426 is at -6.016952 3.426084 2.511253 ESP Fit Center 6427 is at -6.284995 3.106644 2.511253 ESP Fit Center 6428 is at -3.179539 1.313708 2.511253 ESP Fit Center 6429 is at -3.036916 1.705560 2.511253 ESP Fit Center 6430 is at -3.170022 3.292712 2.137818 ESP Fit Center 6431 is at -3.449176 3.602745 2.137818 ESP Fit Center 6432 is at -3.786690 3.847963 2.137818 ESP Fit Center 6433 is at -4.167812 4.017649 2.137818 ESP Fit Center 6434 is at -4.575885 4.104388 2.137818 ESP Fit Center 6435 is at -4.993075 4.104388 2.137818 ESP Fit Center 6436 is at -5.401148 4.017649 2.137818 ESP Fit Center 6437 is at -5.782270 3.847963 2.137818 ESP Fit Center 6438 is at -6.119783 3.602745 2.137818 ESP Fit Center 6439 is at -6.398938 3.292712 2.137818 ESP Fit Center 6440 is at -3.607506 3.881205 1.732616 ESP Fit Center 6441 is at -3.973767 4.076975 1.732616 ESP Fit Center 6442 is at -4.371182 4.197530 1.732616 ESP Fit Center 6443 is at -4.784480 4.238236 1.732616 ESP Fit Center 6444 is at -5.197778 4.197530 1.732616 ESP Fit Center 6445 is at -5.595193 4.076975 1.732616 ESP Fit Center 6446 is at -5.961453 3.881205 1.732616 ESP Fit Center 6447 is at -3.887183 4.084545 1.311221 ESP Fit Center 6448 is at -4.275241 4.218853 1.311221 ESP Fit Center 6449 is at -4.681703 4.277294 1.311221 ESP Fit Center 6450 is at -5.091880 4.257754 1.311221 ESP Fit Center 6451 is at -5.490947 4.160942 1.311221 ESP Fit Center 6452 is at -4.371182 4.197530 0.889826 ESP Fit Center 6453 is at -4.784480 4.238236 0.889826 ESP Fit Center 6454 is at -5.132420 -3.826830 2.658995 ESP Fit Center 6455 is at -4.924037 -4.187761 2.658995 ESP Fit Center 6456 is at -4.604775 -4.455653 2.658995 ESP Fit Center 6457 is at -4.213143 -4.598196 2.658995 ESP Fit Center 6458 is at -5.517884 -3.624370 2.390371 ESP Fit Center 6459 is at -5.405663 -4.024894 2.390371 ESP Fit Center 6460 is at -5.189543 -4.380288 2.390371 ESP Fit Center 6461 is at -4.885553 -4.664195 2.390371 ESP Fit Center 6462 is at -4.516238 -4.855558 2.390371 ESP Fit Center 6463 is at -4.108990 -4.940185 2.390371 ESP Fit Center 6464 is at -3.694011 -4.911800 2.390371 ESP Fit Center 6465 is at -5.788590 -3.624895 2.063052 ESP Fit Center 6466 is at -5.692423 -4.030655 2.063052 ESP Fit Center 6467 is at -5.505274 -4.403299 2.063052 ESP Fit Center 6468 is at -5.237232 -4.722740 2.063052 ESP Fit Center 6469 is at -4.902747 -4.971755 2.063052 ESP Fit Center 6470 is at -4.519851 -5.136920 2.063052 ESP Fit Center 6471 is at -4.109186 -5.209331 2.063052 ESP Fit Center 6472 is at -3.692892 -5.185085 2.063052 ESP Fit Center 6473 is at -3.293410 -5.065488 2.063052 ESP Fit Center 6474 is at -6.000339 -3.416395 1.689617 ESP Fit Center 6475 is at -5.956731 -3.831300 1.689617 ESP Fit Center 6476 is at -5.827812 -4.228071 1.689617 ESP Fit Center 6477 is at -5.619217 -4.589368 1.689617 ESP Fit Center 6478 is at -5.340063 -4.899400 1.689617 ESP Fit Center 6479 is at -5.002549 -5.144618 1.689617 ESP Fit Center 6480 is at -4.621428 -5.314305 1.689617 ESP Fit Center 6481 is at -4.213354 -5.401043 1.689617 ESP Fit Center 6482 is at -3.796165 -5.401043 1.689617 ESP Fit Center 6483 is at -3.388091 -5.314305 1.689617 ESP Fit Center 6484 is at -3.006970 -5.144618 1.689617 ESP Fit Center 6485 is at -6.082549 -3.003097 1.284416 ESP Fit Center 6486 is at -6.123256 -3.416395 1.284416 ESP Fit Center 6487 is at -6.082549 -3.829693 1.284416 ESP Fit Center 6488 is at -5.961995 -4.227109 1.284416 ESP Fit Center 6489 is at -5.766225 -4.593369 1.284416 ESP Fit Center 6490 is at -5.502763 -4.914398 1.284416 ESP Fit Center 6491 is at -5.181733 -5.177861 1.284416 ESP Fit Center 6492 is at -4.815473 -5.373631 1.284416 ESP Fit Center 6493 is at -4.418058 -5.494185 1.284416 ESP Fit Center 6494 is at -4.004760 -5.534892 1.284416 ESP Fit Center 6495 is at -3.591461 -5.494185 1.284416 ESP Fit Center 6496 is at -3.194046 -5.373631 1.284416 ESP Fit Center 6497 is at -2.827786 -5.177861 1.284416 ESP Fit Center 6498 is at -6.154979 -3.211074 0.863021 ESP Fit Center 6499 is at -6.154979 -3.621716 0.863021 ESP Fit Center 6500 is at -6.077264 -4.024938 0.863021 ESP Fit Center 6501 is at -5.924644 -4.406165 0.863021 ESP Fit Center 6502 is at -5.702634 -4.751619 0.863021 ESP Fit Center 6503 is at -5.419259 -5.048814 0.863021 ESP Fit Center 6504 is at -5.084760 -5.287010 0.863021 ESP Fit Center 6505 is at -4.711226 -5.457597 0.863021 ESP Fit Center 6506 is at -4.312160 -5.554410 0.863021 ESP Fit Center 6507 is at -3.901983 -5.573949 0.863021 ESP Fit Center 6508 is at -3.495520 -5.515508 0.863021 ESP Fit Center 6509 is at -3.107463 -5.381201 0.863021 ESP Fit Center 6510 is at -2.751837 -5.175879 0.863021 ESP Fit Center 6511 is at -6.082549 -3.003097 0.441626 ESP Fit Center 6512 is at -6.123256 -3.416395 0.441626 ESP Fit Center 6513 is at -6.082549 -3.829693 0.441626 ESP Fit Center 6514 is at -5.961995 -4.227109 0.441626 ESP Fit Center 6515 is at -5.766225 -4.593369 0.441626 ESP Fit Center 6516 is at -5.502763 -4.914398 0.441626 ESP Fit Center 6517 is at -5.181733 -5.177861 0.441626 ESP Fit Center 6518 is at -4.815473 -5.373631 0.441626 ESP Fit Center 6519 is at -4.418058 -5.494185 0.441626 ESP Fit Center 6520 is at -4.004760 -5.534892 0.441626 ESP Fit Center 6521 is at -3.591461 -5.494185 0.441626 ESP Fit Center 6522 is at -3.194046 -5.373631 0.441626 ESP Fit Center 6523 is at -2.827786 -5.177861 0.441626 ESP Fit Center 6524 is at -5.956731 -3.001491 0.036424 ESP Fit Center 6525 is at -6.000339 -3.416395 0.036424 ESP Fit Center 6526 is at -5.956731 -3.831300 0.036424 ESP Fit Center 6527 is at -5.827812 -4.228071 0.036424 ESP Fit Center 6528 is at -5.619217 -4.589368 0.036424 ESP Fit Center 6529 is at -5.340063 -4.899400 0.036424 ESP Fit Center 6530 is at -5.002549 -5.144618 0.036424 ESP Fit Center 6531 is at -4.621428 -5.314305 0.036424 ESP Fit Center 6532 is at -4.213354 -5.401043 0.036424 ESP Fit Center 6533 is at -3.796165 -5.401043 0.036424 ESP Fit Center 6534 is at -3.388091 -5.314305 0.036424 ESP Fit Center 6535 is at -3.006970 -5.144618 0.036424 ESP Fit Center 6536 is at -5.788590 -3.207895 -0.337011 ESP Fit Center 6537 is at -5.788590 -3.624895 -0.337011 ESP Fit Center 6538 is at -5.692423 -4.030655 -0.337011 ESP Fit Center 6539 is at -5.505274 -4.403299 -0.337011 ESP Fit Center 6540 is at -5.237232 -4.722740 -0.337011 ESP Fit Center 6541 is at -4.902747 -4.971755 -0.337011 ESP Fit Center 6542 is at -4.519851 -5.136920 -0.337011 ESP Fit Center 6543 is at -4.109186 -5.209331 -0.337011 ESP Fit Center 6544 is at -3.692892 -5.185085 -0.337011 ESP Fit Center 6545 is at -3.293410 -5.065488 -0.337011 ESP Fit Center 6546 is at -2.932278 -4.856988 -0.337011 ESP Fit Center 6547 is at -5.517884 -3.208421 -0.664330 ESP Fit Center 6548 is at -5.517884 -3.624370 -0.664330 ESP Fit Center 6549 is at -5.405663 -4.024894 -0.664330 ESP Fit Center 6550 is at -5.189543 -4.380288 -0.664330 ESP Fit Center 6551 is at -4.885553 -4.664195 -0.664330 ESP Fit Center 6552 is at -4.516238 -4.855558 -0.664330 ESP Fit Center 6553 is at -4.108990 -4.940185 -0.664330 ESP Fit Center 6554 is at -3.694011 -4.911800 -0.664330 ESP Fit Center 6555 is at -3.302079 -4.772507 -0.664330 ESP Fit Center 6556 is at -5.204791 -3.416395 -0.932954 ESP Fit Center 6557 is at -5.132420 -3.826830 -0.932954 ESP Fit Center 6558 is at -4.924037 -4.187761 -0.932954 ESP Fit Center 6559 is at -4.604775 -4.455653 -0.932954 ESP Fit Center 6560 is at -4.213143 -4.598196 -0.932954 ESP Fit Center 6561 is at -3.796376 -4.598196 -0.932954 ESP Fit Center 6562 is at -3.404744 -4.455653 -0.932954 ESP Fit Center 6563 is at -4.720613 -3.829693 -1.132559 ESP Fit Center 6564 is at -4.418058 -4.132249 -1.132559 ESP Fit Center 6565 is at -4.004760 -4.242992 -1.132559 ESP Fit Center 6566 is at -3.992818 -1.838524 3.815327 ESP Fit Center 6567 is at -3.571423 -1.838524 3.773823 ESP Fit Center 6568 is at -3.782121 -1.473585 3.773823 ESP Fit Center 6569 is at -4.203516 -1.473585 3.773823 ESP Fit Center 6570 is at -4.414213 -1.838524 3.773823 ESP Fit Center 6571 is at -4.203516 -2.203463 3.773823 ESP Fit Center 6572 is at -3.782121 -2.203463 3.773823 ESP Fit Center 6573 is at -3.166222 -1.838524 3.650907 ESP Fit Center 6574 is at -3.276965 -1.425226 3.650907 ESP Fit Center 6575 is at -3.579520 -1.122670 3.650907 ESP Fit Center 6576 is at -3.992818 -1.011928 3.650907 ESP Fit Center 6577 is at -4.406116 -1.122670 3.650907 ESP Fit Center 6578 is at -4.708672 -1.425226 3.650907 ESP Fit Center 6579 is at -4.819414 -1.838524 3.650907 ESP Fit Center 6580 is at -4.708672 -2.251822 3.650907 ESP Fit Center 6581 is at -4.406116 -2.554377 3.650907 ESP Fit Center 6582 is at -3.992818 -2.665120 3.650907 ESP Fit Center 6583 is at -2.865157 -1.428089 3.451302 ESP Fit Center 6584 is at -3.073541 -1.067158 3.451302 ESP Fit Center 6585 is at -3.392802 -0.799266 3.451302 ESP Fit Center 6586 is at -3.784435 -0.656723 3.451302 ESP Fit Center 6587 is at -4.201202 -0.656723 3.451302 ESP Fit Center 6588 is at -4.592834 -0.799266 3.451302 ESP Fit Center 6589 is at -4.912096 -1.067158 3.451302 ESP Fit Center 6590 is at -5.120479 -1.428089 3.451302 ESP Fit Center 6591 is at -5.192850 -1.838524 3.451302 ESP Fit Center 6592 is at -5.120479 -2.248959 3.451302 ESP Fit Center 6593 is at -4.912096 -2.609889 3.451302 ESP Fit Center 6594 is at -4.592834 -2.877782 3.451302 ESP Fit Center 6595 is at -2.687820 -1.044937 3.182678 ESP Fit Center 6596 is at -2.950320 -0.722281 3.182678 ESP Fit Center 6597 is at -3.290138 -0.482412 3.182678 ESP Fit Center 6598 is at -3.682070 -0.343119 3.182678 ESP Fit Center 6599 is at -4.097048 -0.314734 3.182678 ESP Fit Center 6600 is at -4.504297 -0.399361 3.182678 ESP Fit Center 6601 is at -4.873611 -0.590724 3.182678 ESP Fit Center 6602 is at -5.177601 -0.874631 3.182678 ESP Fit Center 6603 is at -5.393722 -1.230026 3.182678 ESP Fit Center 6604 is at -5.505943 -1.630550 3.182678 ESP Fit Center 6605 is at -5.505943 -2.046498 3.182678 ESP Fit Center 6606 is at -5.393722 -2.447022 3.182678 ESP Fit Center 6607 is at -5.177601 -2.802416 3.182678 ESP Fit Center 6608 is at -2.617022 -0.684094 2.855359 ESP Fit Center 6609 is at -2.920337 -0.397931 2.855359 ESP Fit Center 6610 is at -3.281469 -0.189431 2.855359 ESP Fit Center 6611 is at -3.680951 -0.069834 2.855359 ESP Fit Center 6612 is at -4.097245 -0.045588 2.855359 ESP Fit Center 6613 is at -4.507910 -0.117999 2.855359 ESP Fit Center 6614 is at -4.890805 -0.283164 2.855359 ESP Fit Center 6615 is at -5.225291 -0.532179 2.855359 ESP Fit Center 6616 is at -5.493333 -0.851620 2.855359 ESP Fit Center 6617 is at -5.680482 -1.224264 2.855359 ESP Fit Center 6618 is at -5.776649 -1.630024 2.855359 ESP Fit Center 6619 is at -5.776649 -2.047024 2.855359 ESP Fit Center 6620 is at -5.680482 -2.452783 2.855359 ESP Fit Center 6621 is at -5.493333 -2.825428 2.855359 ESP Fit Center 6622 is at -5.607276 -0.665551 2.481923 ESP Fit Center 6623 is at -5.815871 -1.026848 2.481923 ESP Fit Center 6624 is at -5.944790 -1.423619 2.481923 ESP Fit Center 6625 is at -5.988398 -1.838524 2.481923 ESP Fit Center 6626 is at -5.944790 -2.253428 2.481923 ESP Fit Center 6627 is at -5.815871 -2.650199 2.481923 ESP Fit Center 6628 is at -5.950054 -1.027810 2.076722 ESP Fit Center 6629 is at -6.070608 -1.425226 2.076722 ESP Fit Center 6630 is at -6.111314 -1.838524 2.076722 ESP Fit Center 6631 is at -6.070608 -2.251822 2.076722 ESP Fit Center 6632 is at -5.950054 -2.649237 2.076722 ESP Fit Center 6633 is at -6.065323 -1.229981 1.655327 ESP Fit Center 6634 is at -6.143038 -1.633203 1.655327 ESP Fit Center 6635 is at -6.143038 -2.043845 1.655327 ESP Fit Center 6636 is at -6.065323 -2.447066 1.655327 ESP Fit Center 6637 is at -6.070608 -1.425226 1.233932 ESP Fit Center 6638 is at -6.111314 -1.838524 1.233932 ESP Fit Center 6639 is at -2.484794 -2.748816 3.631676 ESP Fit Center 6640 is at -2.063399 -2.748816 3.590173 ESP Fit Center 6641 is at -2.274096 -2.383877 3.590173 ESP Fit Center 6642 is at -2.695492 -3.113755 3.590173 ESP Fit Center 6643 is at -2.274096 -3.113755 3.590173 ESP Fit Center 6644 is at -1.658198 -2.748816 3.467256 ESP Fit Center 6645 is at -1.768941 -2.335518 3.467256 ESP Fit Center 6646 is at -2.071496 -2.032963 3.467256 ESP Fit Center 6647 is at -2.484794 -3.575412 3.467256 ESP Fit Center 6648 is at -2.071496 -3.464669 3.467256 ESP Fit Center 6649 is at -1.768941 -3.162114 3.467256 ESP Fit Center 6650 is at -1.284762 -2.748816 3.267651 ESP Fit Center 6651 is at -1.357133 -2.338381 3.267651 ESP Fit Center 6652 is at -1.565516 -1.977451 3.267651 ESP Fit Center 6653 is at -1.884778 -1.709558 3.267651 ESP Fit Center 6654 is at -2.276411 -1.567016 3.267651 ESP Fit Center 6655 is at -2.693177 -3.930617 3.267651 ESP Fit Center 6656 is at -2.276411 -3.930617 3.267651 ESP Fit Center 6657 is at -1.884778 -3.788074 3.267651 ESP Fit Center 6658 is at -1.565516 -3.520182 3.267651 ESP Fit Center 6659 is at -1.357133 -3.159251 3.267651 ESP Fit Center 6660 is at -0.957443 -2.748816 2.999027 ESP Fit Center 6661 is at -1.014082 -2.336742 2.999027 ESP Fit Center 6662 is at -1.179796 -1.955229 2.999027 ESP Fit Center 6663 is at -1.442296 -1.632573 2.999027 ESP Fit Center 6664 is at -1.782113 -1.392704 2.999027 ESP Fit Center 6665 is at -2.589024 -4.272606 2.999027 ESP Fit Center 6666 is at -2.174045 -4.244221 2.999027 ESP Fit Center 6667 is at -1.782113 -4.104928 2.999027 ESP Fit Center 6668 is at -1.442296 -3.865059 2.999027 ESP Fit Center 6669 is at -1.179796 -3.542403 2.999027 ESP Fit Center 6670 is at -1.014082 -3.160890 2.999027 ESP Fit Center 6671 is at -0.688820 -2.748816 2.671708 ESP Fit Center 6672 is at -0.737230 -2.334636 2.671708 ESP Fit Center 6673 is at -0.879853 -1.942784 2.671708 ESP Fit Center 6674 is at -1.108998 -1.594386 2.671708 ESP Fit Center 6675 is at -1.412312 -1.308223 2.671708 ESP Fit Center 6676 is at -1.773445 -1.099724 2.671708 ESP Fit Center 6677 is at -2.589221 -4.541752 2.671708 ESP Fit Center 6678 is at -2.172926 -4.517506 2.671708 ESP Fit Center 6679 is at -1.773445 -4.397909 2.671708 ESP Fit Center 6680 is at -1.412312 -4.189409 2.671708 ESP Fit Center 6681 is at -1.108998 -3.903246 2.671708 ESP Fit Center 6682 is at -0.879853 -3.554848 2.671708 ESP Fit Center 6683 is at -0.737230 -3.162996 2.671708 ESP Fit Center 6684 is at -0.489214 -2.748816 2.298273 ESP Fit Center 6685 is at -0.870336 -1.575844 2.298273 ESP Fit Center 6686 is at -1.149490 -1.265811 2.298273 ESP Fit Center 6687 is at -1.487004 -1.020593 2.298273 ESP Fit Center 6688 is at -2.276199 -4.733464 2.298273 ESP Fit Center 6689 is at -1.868126 -4.646725 2.298273 ESP Fit Center 6690 is at -1.487004 -4.477039 2.298273 ESP Fit Center 6691 is at -1.149490 -4.231821 2.298273 ESP Fit Center 6692 is at -0.870336 -3.921788 2.298273 ESP Fit Center 6693 is at -0.661741 -3.560492 2.298273 ESP Fit Center 6694 is at -0.532822 -3.163720 2.298273 ESP Fit Center 6695 is at -2.071496 -4.826606 1.893072 ESP Fit Center 6696 is at -1.674081 -4.706051 1.893072 ESP Fit Center 6697 is at -1.307821 -4.510281 1.893072 ESP Fit Center 6698 is at -0.986791 -4.246819 1.893072 ESP Fit Center 6699 is at -0.723329 -3.925790 1.893072 ESP Fit Center 6700 is at -0.527559 -3.559529 1.893072 ESP Fit Center 6701 is at -0.407004 -3.162114 1.893072 ESP Fit Center 6702 is at -1.975555 -4.847929 1.471676 ESP Fit Center 6703 is at -1.587498 -4.713621 1.471676 ESP Fit Center 6704 is at -1.231871 -4.508300 1.471676 ESP Fit Center 6705 is at -0.921528 -4.239387 1.471676 ESP Fit Center 6706 is at -0.667686 -3.916600 1.471676 ESP Fit Center 6707 is at -0.479519 -3.551607 1.471676 ESP Fit Center 6708 is at -0.363828 -3.157599 1.471676 ESP Fit Center 6709 is at -1.674081 -4.706051 1.050281 ESP Fit Center 6710 is at -1.307821 -4.510281 1.050281 ESP Fit Center 6711 is at -0.986791 -4.246819 1.050281 ESP Fit Center 6712 is at -0.723329 -3.925790 1.050281 ESP Fit Center 6713 is at -0.527559 -3.559529 1.050281 ESP Fit Center 6714 is at -0.407004 -3.162114 1.050281 ESP Fit Center 6715 is at -1.487004 -4.477039 0.645080 ESP Fit Center 6716 is at -1.149490 -4.231821 0.645080 ESP Fit Center 6717 is at -0.870336 -3.921788 0.645080 ESP Fit Center 6718 is at -0.661741 -3.560492 0.645080 ESP Fit Center 6719 is at -1.412312 -4.189409 0.271645 ESP Fit Center 6720 is at -1.108998 -3.903246 0.271645 ESP Fit Center 6721 is at 3.307721 2.116307 4.349201 ESP Fit Center 6722 is at 3.716221 2.116307 4.321259 ESP Fit Center 6723 is at 3.103471 1.762536 4.321259 ESP Fit Center 6724 is at 3.511971 1.762536 4.321259 ESP Fit Center 6725 is at 4.117111 2.116307 4.237953 ESP Fit Center 6726 is at 4.008674 2.521002 4.237953 ESP Fit Center 6727 is at 3.307721 1.306917 4.237953 ESP Fit Center 6728 is at 3.712416 1.415354 4.237953 ESP Fit Center 6729 is at 4.008674 1.711612 4.237953 ESP Fit Center 6730 is at 4.502924 2.116307 4.100835 ESP Fit Center 6731 is at 4.430845 2.525090 4.100835 ESP Fit Center 6732 is at 3.515266 0.939261 4.100835 ESP Fit Center 6733 is at 3.905323 1.081231 4.100835 ESP Fit Center 6734 is at 4.223300 1.348045 4.100835 ESP Fit Center 6735 is at 4.430845 1.707523 4.100835 ESP Fit Center 6736 is at 4.866473 2.116307 3.912459 ESP Fit Center 6737 is at 4.808670 2.536853 3.912459 ESP Fit Center 6738 is at 4.639549 2.926209 3.912459 ESP Fit Center 6739 is at 4.024848 0.732314 3.912459 ESP Fit Center 6740 is at 4.371652 0.977115 3.912459 ESP Fit Center 6741 is at 4.639549 1.306404 3.912459 ESP Fit Center 6742 is at 4.808670 1.695761 3.912459 ESP Fit Center 6743 is at 5.156721 2.523303 3.676335 ESP Fit Center 6744 is at 5.026001 2.911268 3.676335 ESP Fit Center 6745 is at 4.814935 3.262061 3.676335 ESP Fit Center 6746 is at 5.343175 2.931180 3.396860 ESP Fit Center 6747 is at 5.152176 3.301666 3.396860 ESP Fit Center 6748 is at 5.447400 3.311603 3.079242 ESP Fit Center 6749 is at 5.214616 3.656017 3.079242 ESP Fit Center 6750 is at 5.681056 3.325581 2.729396 ESP Fit Center 6751 is at 5.462664 3.681964 2.729396 ESP Fit Center 6752 is at 5.191210 3.999796 2.729396 ESP Fit Center 6753 is at 5.665252 3.676034 2.353840 ESP Fit Center 6754 is at 5.413030 4.002672 2.353840 ESP Fit Center 6755 is at 5.115938 4.289105 2.353840 ESP Fit Center 6756 is at 4.780306 4.529229 2.353840 ESP Fit Center 6757 is at 5.798652 3.672813 1.959569 ESP Fit Center 6758 is at 5.557787 4.004336 1.959569 ESP Fit Center 6759 is at 5.273126 4.299111 1.959569 ESP Fit Center 6760 is at 4.950212 4.551399 1.959569 ESP Fit Center 6761 is at 4.595328 4.756292 1.959569 ESP Fit Center 6762 is at 0.714281 3.495263 1.959569 ESP Fit Center 6763 is at 5.845934 3.702359 1.553928 ESP Fit Center 6764 is at 5.600497 4.040174 1.553928 ESP Fit Center 6765 is at 5.310433 4.340544 1.553928 ESP Fit Center 6766 is at 4.981389 4.597622 1.553928 ESP Fit Center 6767 is at 4.619769 4.806403 1.553928 ESP Fit Center 6768 is at 4.232611 4.962825 1.553928 ESP Fit Center 6769 is at 0.886328 3.875552 1.553928 ESP Fit Center 6770 is at 0.665053 3.521438 1.553928 ESP Fit Center 6771 is at 6.041968 3.333672 1.144474 ESP Fit Center 6772 is at 5.845934 3.702359 1.144474 ESP Fit Center 6773 is at 5.600497 4.040174 1.144474 ESP Fit Center 6774 is at 5.310433 4.340544 1.144474 ESP Fit Center 6775 is at 4.981389 4.597622 1.144474 ESP Fit Center 6776 is at 4.619769 4.806403 1.144474 ESP Fit Center 6777 is at 4.232611 4.962825 1.144474 ESP Fit Center 6778 is at 3.827451 5.063843 1.144474 ESP Fit Center 6779 is at 3.412176 5.107490 1.144474 ESP Fit Center 6780 is at 1.465042 4.474828 1.144474 ESP Fit Center 6781 is at 1.154733 4.195424 1.144474 ESP Fit Center 6782 is at 0.886328 3.875552 1.144474 ESP Fit Center 6783 is at 5.991035 3.310995 0.738833 ESP Fit Center 6784 is at 5.798652 3.672813 0.738833 ESP Fit Center 6785 is at 5.557787 4.004336 0.738833 ESP Fit Center 6786 is at 5.273126 4.299111 0.738833 ESP Fit Center 6787 is at 4.950212 4.551399 0.738833 ESP Fit Center 6788 is at 4.595328 4.756292 0.738833 ESP Fit Center 6789 is at 4.215382 4.909800 0.738833 ESP Fit Center 6790 is at 3.817770 5.008936 0.738833 ESP Fit Center 6791 is at 3.410230 5.051770 0.738833 ESP Fit Center 6792 is at 3.000695 5.037469 0.738833 ESP Fit Center 6793 is at 2.597135 4.966310 0.738833 ESP Fit Center 6794 is at 2.207407 4.839680 0.738833 ESP Fit Center 6795 is at 1.839095 4.660042 0.738833 ESP Fit Center 6796 is at 1.499368 4.430893 0.738833 ESP Fit Center 6797 is at 1.194839 4.156694 0.738833 ESP Fit Center 6798 is at 6.014650 2.930700 0.344562 ESP Fit Center 6799 is at 5.867227 3.316154 0.344562 ESP Fit Center 6800 is at 5.665252 3.676034 0.344562 ESP Fit Center 6801 is at 5.413030 4.002672 0.344562 ESP Fit Center 6802 is at 5.115938 4.289105 0.344562 ESP Fit Center 6803 is at 4.780306 4.529229 0.344562 ESP Fit Center 6804 is at 4.413289 4.717926 0.344562 ESP Fit Center 6805 is at 4.022709 4.851173 0.344562 ESP Fit Center 6806 is at 3.616890 4.926132 0.344562 ESP Fit Center 6807 is at 3.204481 4.941204 0.344562 ESP Fit Center 6808 is at 2.794273 4.896068 0.344562 ESP Fit Center 6809 is at 2.395008 4.791687 0.344562 ESP Fit Center 6810 is at 2.015196 4.630284 0.344562 ESP Fit Center 6811 is at 1.662932 4.415300 0.344562 ESP Fit Center 6812 is at 1.345724 4.151318 0.344562 ESP Fit Center 6813 is at 5.938583 2.532994 -0.030994 ESP Fit Center 6814 is at 5.841008 2.939422 -0.030994 ESP Fit Center 6815 is at 5.681056 3.325581 -0.030994 ESP Fit Center 6816 is at 5.462664 3.681964 -0.030994 ESP Fit Center 6817 is at 5.191210 3.999796 -0.030994 ESP Fit Center 6818 is at 4.873379 4.271250 -0.030994 ESP Fit Center 6819 is at 5.758631 2.116307 -0.380840 ESP Fit Center 6820 is at 5.723377 2.530513 -0.380840 ESP Fit Center 6821 is at 5.618629 2.932802 -0.380840 ESP Fit Center 6822 is at 5.447400 3.311603 -0.380840 ESP Fit Center 6823 is at 5.723377 1.702101 -0.380840 ESP Fit Center 6824 is at 5.500229 2.116307 -0.698458 ESP Fit Center 6825 is at 5.460608 2.531242 -0.698458 ESP Fit Center 6826 is at 5.460608 1.701372 -0.698458 ESP Fit Center 6827 is at 5.156721 1.709311 -0.977933 ESP Fit Center 6828 is at 3.048971 2.879064 4.465158 ESP Fit Center 6829 is at 3.465726 2.879064 4.428696 ESP Fit Center 6830 is at 3.257349 3.239985 4.428696 ESP Fit Center 6831 is at 2.840593 3.239985 4.428696 ESP Fit Center 6832 is at 2.632215 2.879064 4.428696 ESP Fit Center 6833 is at 2.840593 2.518143 4.428696 ESP Fit Center 6834 is at 3.257349 2.518143 4.428696 ESP Fit Center 6835 is at 3.869819 2.879064 4.320420 ESP Fit Center 6836 is at 3.759846 3.289489 4.320420 ESP Fit Center 6837 is at 3.459395 3.589940 4.320420 ESP Fit Center 6838 is at 3.048971 3.699913 4.320420 ESP Fit Center 6839 is at 2.638547 3.589940 4.320420 ESP Fit Center 6840 is at 2.338095 3.289489 4.320420 ESP Fit Center 6841 is at 2.228122 2.879064 4.320420 ESP Fit Center 6842 is at 2.338095 2.468640 4.320420 ESP Fit Center 6843 is at 2.638547 2.168189 4.320420 ESP Fit Center 6844 is at 3.759846 2.468640 4.320420 ESP Fit Center 6845 is at 4.248971 2.879064 4.143619 ESP Fit Center 6846 is at 4.176602 3.289489 4.143619 ESP Fit Center 6847 is at 3.968224 3.650409 4.143619 ESP Fit Center 6848 is at 3.648971 3.918295 4.143619 ESP Fit Center 6849 is at 3.257349 4.060834 4.143619 ESP Fit Center 6850 is at 2.840593 4.060834 4.143619 ESP Fit Center 6851 is at 2.448971 3.918295 4.143619 ESP Fit Center 6852 is at 2.129717 3.650409 4.143619 ESP Fit Center 6853 is at 1.921340 3.289489 4.143619 ESP Fit Center 6854 is at 1.848971 2.879064 4.143619 ESP Fit Center 6855 is at 1.921340 2.468640 4.143619 ESP Fit Center 6856 is at 2.129717 2.107719 4.143619 ESP Fit Center 6857 is at 4.534454 3.295277 3.903664 ESP Fit Center 6858 is at 4.367075 3.680621 3.903664 ESP Fit Center 6859 is at 4.101939 4.006518 3.903664 ESP Fit Center 6860 is at 3.758709 4.248796 3.903664 ESP Fit Center 6861 is at 3.362840 4.389488 3.903664 ESP Fit Center 6862 is at 2.943694 4.418158 3.903664 ESP Fit Center 6863 is at 2.532355 4.332681 3.903664 ESP Fit Center 6864 is at 2.159332 4.139396 3.903664 ESP Fit Center 6865 is at 1.852289 3.852638 3.903664 ESP Fit Center 6866 is at 1.633998 3.493674 3.903664 ESP Fit Center 6867 is at 1.520649 3.089127 3.903664 ESP Fit Center 6868 is at 1.520649 2.669001 3.903664 ESP Fit Center 6869 is at 4.691920 3.704185 3.607848 ESP Fit Center 6870 is at 4.457349 4.060834 3.607848 ESP Fit Center 6871 is at 4.146851 4.353773 3.607848 ESP Fit Center 6872 is at 3.777166 4.567211 3.607848 ESP Fit Center 6873 is at 3.368224 4.689640 3.607848 ESP Fit Center 6874 is at 2.942071 4.714461 3.607848 ESP Fit Center 6875 is at 2.521681 4.640334 3.607848 ESP Fit Center 6876 is at 2.129717 4.471258 3.607848 ESP Fit Center 6877 is at 1.787311 4.216346 3.607848 ESP Fit Center 6878 is at 1.512921 3.889340 3.607848 ESP Fit Center 6879 is at 1.321340 3.507871 3.607848 ESP Fit Center 6880 is at 1.222895 3.092502 3.607848 ESP Fit Center 6881 is at 1.222895 2.665627 3.607848 ESP Fit Center 6882 is at 4.754896 4.066423 3.265158 ESP Fit Center 6883 is at 4.480962 4.385518 3.265158 ESP Fit Center 6884 is at 4.148402 4.642938 3.265158 ESP Fit Center 6885 is at 3.770831 4.828146 3.265158 ESP Fit Center 6886 is at 3.363707 4.933557 3.265158 ESP Fit Center 6887 is at 2.943698 4.954858 3.265158 ESP Fit Center 6888 is at 2.527999 4.891175 3.265158 ESP Fit Center 6889 is at 2.133629 4.745116 3.265158 ESP Fit Center 6890 is at 1.776732 4.522661 3.265158 ESP Fit Center 6891 is at 1.471922 4.232917 3.265158 ESP Fit Center 6892 is at 1.231675 3.887746 3.265158 ESP Fit Center 6893 is at 1.065830 3.501279 3.265158 ESP Fit Center 6894 is at 0.981174 3.089339 3.265158 ESP Fit Center 6895 is at 4.681181 4.435374 2.886006 ESP Fit Center 6896 is at 4.357151 4.716147 2.886006 ESP Fit Center 6897 is at 3.985841 4.930523 2.886006 ESP Fit Center 6898 is at 3.580669 5.070754 2.886006 ESP Fit Center 6899 is at 3.156280 5.131772 2.886006 ESP Fit Center 6900 is at 2.728013 5.111371 2.886006 ESP Fit Center 6901 is at 2.311347 5.010289 2.886006 ESP Fit Center 6902 is at 1.921340 4.832179 2.886006 ESP Fit Center 6903 is at 1.572088 4.583478 2.886006 ESP Fit Center 6904 is at 1.276215 4.273175 2.886006 ESP Fit Center 6905 is at 1.044414 3.912485 2.886006 ESP Fit Center 6906 is at 0.885062 3.514445 2.886006 ESP Fit Center 6907 is at 0.803920 3.093441 2.886006 ESP Fit Center 6908 is at 4.522613 4.726953 2.481913 ESP Fit Center 6909 is at 4.168978 4.960386 2.481913 ESP Fit Center 6910 is at 3.779344 5.126923 2.481913 ESP Fit Center 6911 is at 3.366236 5.221212 2.481913 ESP Fit Center 6912 is at 2.942931 5.240223 2.481913 ESP Fit Center 6913 is at 2.523034 5.183344 2.481913 ESP Fit Center 6914 is at 2.120041 5.052404 2.481913 ESP Fit Center 6915 is at 1.746904 4.851610 2.481913 ESP Fit Center 6916 is at 1.415618 4.587418 2.481913 ESP Fit Center 6917 is at 1.136828 4.268317 2.481913 ESP Fit Center 6918 is at 0.919496 3.904565 2.481913 ESP Fit Center 6919 is at 0.770607 3.507853 2.481913 ESP Fit Center 6920 is at 4.248971 4.957525 2.065158 ESP Fit Center 6921 is at 3.869819 5.134327 2.065158 ESP Fit Center 6922 is at 3.465726 5.242603 2.065158 ESP Fit Center 6923 is at 3.048971 5.279064 2.065158 ESP Fit Center 6924 is at 2.632215 5.242603 2.065158 ESP Fit Center 6925 is at 2.228122 5.134327 2.065158 ESP Fit Center 6926 is at 1.848971 4.957525 2.065158 ESP Fit Center 6927 is at 1.506280 4.717571 2.065158 ESP Fit Center 6928 is at 1.210464 4.421755 2.065158 ESP Fit Center 6929 is at 0.970510 4.079064 2.065158 ESP Fit Center 6930 is at 0.793708 3.699913 2.065158 ESP Fit Center 6931 is at 3.779344 5.126923 1.648402 ESP Fit Center 6932 is at 3.366236 5.221212 1.648402 ESP Fit Center 6933 is at 2.942931 5.240223 1.648402 ESP Fit Center 6934 is at 2.523034 5.183344 1.648402 ESP Fit Center 6935 is at 2.120041 5.052404 1.648402 ESP Fit Center 6936 is at 1.746904 4.851610 1.648402 ESP Fit Center 6937 is at 1.415618 4.587418 1.648402 ESP Fit Center 6938 is at 1.136828 4.268317 1.648402 ESP Fit Center 6939 is at 3.156280 5.131772 1.244309 ESP Fit Center 6940 is at 2.728013 5.111371 1.244309 ESP Fit Center 6941 is at 2.311347 5.010289 1.244309 ESP Fit Center 6942 is at 1.921340 4.832179 1.244309 ESP Fit Center 6943 is at 1.572088 4.583478 1.244309 ESP Fit Center 6944 is at 4.726216 4.352886 -0.070978 ESP Fit Center 6945 is at 4.372581 4.586319 -0.070978 ESP Fit Center 6946 is at 3.982947 4.752856 -0.070978 ESP Fit Center 6947 is at 3.569839 4.847145 -0.070978 ESP Fit Center 6948 is at 3.146534 4.866156 -0.070978 ESP Fit Center 6949 is at 2.726637 4.809277 -0.070978 ESP Fit Center 6950 is at 2.323644 4.678337 -0.070978 ESP Fit Center 6951 is at 1.950507 4.477543 -0.070978 ESP Fit Center 6952 is at 1.619220 4.213351 -0.070978 ESP Fit Center 6953 is at 5.149821 3.724284 -0.475070 ESP Fit Center 6954 is at 4.884784 4.061306 -0.475070 ESP Fit Center 6955 is at 4.560754 4.342080 -0.475070 ESP Fit Center 6956 is at 4.189443 4.556456 -0.475070 ESP Fit Center 6957 is at 3.784272 4.696687 -0.475070 ESP Fit Center 6958 is at 3.359883 4.757705 -0.475070 ESP Fit Center 6959 is at 2.931616 4.737304 -0.475070 ESP Fit Center 6960 is at 2.514950 4.636222 -0.475070 ESP Fit Center 6961 is at 2.124942 4.458112 -0.475070 ESP Fit Center 6962 is at 5.331035 2.504997 -0.854222 ESP Fit Center 6963 is at 5.288488 2.923388 -0.854222 ESP Fit Center 6964 is at 5.162592 3.324650 -0.854222 ESP Fit Center 6965 is at 4.958498 3.692356 -0.854222 ESP Fit Center 6966 is at 4.684564 4.011451 -0.854222 ESP Fit Center 6967 is at 4.352005 4.268871 -0.854222 ESP Fit Center 6968 is at 3.974434 4.454078 -0.854222 ESP Fit Center 6969 is at 3.567310 4.559490 -0.854222 ESP Fit Center 6970 is at 3.147301 4.580790 -0.854222 ESP Fit Center 6971 is at 2.731602 4.517108 -0.854222 ESP Fit Center 6972 is at 2.337232 4.371049 -0.854222 ESP Fit Center 6973 is at 5.091080 2.504997 -1.196912 ESP Fit Center 6974 is at 5.041523 2.928986 -1.196912 ESP Fit Center 6975 is at 4.895523 3.330117 -1.196912 ESP Fit Center 6976 is at 4.660951 3.686766 -1.196912 ESP Fit Center 6977 is at 4.350454 3.979706 -1.196912 ESP Fit Center 6978 is at 3.980769 4.193144 -1.196912 ESP Fit Center 6979 is at 3.571827 4.315573 -1.196912 ESP Fit Center 6980 is at 3.145674 4.340393 -1.196912 ESP Fit Center 6981 is at 2.725284 4.266267 -1.196912 ESP Fit Center 6982 is at 4.895523 1.679877 -1.196912 ESP Fit Center 6983 is at 5.041523 2.081008 -1.196912 ESP Fit Center 6984 is at 4.795264 2.504997 -1.492729 ESP Fit Center 6985 is at 4.738057 2.921210 -1.492729 ESP Fit Center 6986 is at 4.570678 3.306554 -1.492729 ESP Fit Center 6987 is at 4.305542 3.632451 -1.492729 ESP Fit Center 6988 is at 3.962311 3.874729 -1.492729 ESP Fit Center 6989 is at 3.566443 4.015421 -1.492729 ESP Fit Center 6990 is at 3.147297 4.044091 -1.492729 ESP Fit Center 6991 is at 4.570678 1.703440 -1.492729 ESP Fit Center 6992 is at 4.738057 2.088784 -1.492729 ESP Fit Center 6993 is at 4.452574 2.504997 -1.732683 ESP Fit Center 6994 is at 4.380205 2.915421 -1.732683 ESP Fit Center 6995 is at 4.171827 3.276342 -1.732683 ESP Fit Center 6996 is at 3.852574 3.544228 -1.732683 ESP Fit Center 6997 is at 5.113182 1.727806 3.811705 ESP Fit Center 6998 is at 4.702758 1.016931 3.811705 ESP Fit Center 6999 is at 5.003209 1.317382 3.811705 ESP Fit Center 7000 is at 5.492334 1.727806 3.634904 ESP Fit Center 7001 is at 5.419965 2.138230 3.634904 ESP Fit Center 7002 is at 4.500712 0.546037 3.634904 ESP Fit Center 7003 is at 4.892334 0.688576 3.634904 ESP Fit Center 7004 is at 5.211587 0.956461 3.634904 ESP Fit Center 7005 is at 5.419965 1.317382 3.634904 ESP Fit Center 7006 is at 5.835024 1.727806 3.394949 ESP Fit Center 7007 is at 5.777817 2.144019 3.394949 ESP Fit Center 7008 is at 5.610438 2.529363 3.394949 ESP Fit Center 7009 is at 5.002072 0.358074 3.394949 ESP Fit Center 7010 is at 5.345302 0.600353 3.394949 ESP Fit Center 7011 is at 5.610438 0.926249 3.394949 ESP Fit Center 7012 is at 5.777817 1.311593 3.394949 ESP Fit Center 7013 is at 6.130840 1.727806 3.099133 ESP Fit Center 7014 is at 6.081283 2.151795 3.099133 ESP Fit Center 7015 is at 5.935283 2.552926 3.099133 ESP Fit Center 7016 is at 5.700712 2.909575 3.099133 ESP Fit Center 7017 is at 5.020529 0.039660 3.099133 ESP Fit Center 7018 is at 5.390214 0.253097 3.099133 ESP Fit Center 7019 is at 5.700712 0.546037 3.099133 ESP Fit Center 7020 is at 5.935283 0.902686 3.099133 ESP Fit Center 7021 is at 6.081283 1.303817 3.099133 ESP Fit Center 7022 is at 6.370795 1.727806 2.756443 ESP Fit Center 7023 is at 6.328249 2.146197 2.756443 ESP Fit Center 7024 is at 6.202352 2.547459 2.756443 ESP Fit Center 7025 is at 5.998259 2.915165 2.756443 ESP Fit Center 7026 is at 5.724325 3.234260 2.756443 ESP Fit Center 7027 is at 5.391765 -0.036068 2.756443 ESP Fit Center 7028 is at 5.724325 0.221353 2.756443 ESP Fit Center 7029 is at 5.998259 0.540447 2.756443 ESP Fit Center 7030 is at 6.202352 0.908153 2.756443 ESP Fit Center 7031 is at 6.328249 1.309415 2.756443 ESP Fit Center 7032 is at 6.547596 1.727806 2.377291 ESP Fit Center 7033 is at 6.506841 2.154617 2.377291 ESP Fit Center 7034 is at 6.386047 2.566002 2.377291 ESP Fit Center 7035 is at 6.189581 2.947093 2.377291 ESP Fit Center 7036 is at 5.924544 3.284115 2.377291 ESP Fit Center 7037 is at 5.600514 -0.109276 2.377291 ESP Fit Center 7038 is at 5.924544 0.171497 2.377291 ESP Fit Center 7039 is at 6.189581 0.508519 2.377291 ESP Fit Center 7040 is at 6.386047 0.889610 2.377291 ESP Fit Center 7041 is at 6.506841 1.300995 2.377291 ESP Fit Center 7042 is at 6.655872 1.727806 1.973198 ESP Fit Center 7043 is at 6.617889 2.149832 1.973198 ESP Fit Center 7044 is at 6.505161 2.558294 1.973198 ESP Fit Center 7045 is at 6.321311 2.940063 1.973198 ESP Fit Center 7046 is at 6.072247 3.282870 1.973198 ESP Fit Center 7047 is at 6.072247 0.172743 1.973198 ESP Fit Center 7048 is at 6.321311 0.515549 1.973198 ESP Fit Center 7049 is at 6.505161 0.897318 1.973198 ESP Fit Center 7050 is at 6.617889 1.305780 1.973198 ESP Fit Center 7051 is at 6.692334 1.727806 1.556443 ESP Fit Center 7052 is at 6.655872 2.144562 1.556443 ESP Fit Center 7053 is at 6.547596 2.548654 1.556443 ESP Fit Center 7054 is at 6.370795 2.927806 1.556443 ESP Fit Center 7055 is at 6.130840 3.270496 1.556443 ESP Fit Center 7056 is at 6.130840 0.185116 1.556443 ESP Fit Center 7057 is at 6.370795 0.527806 1.556443 ESP Fit Center 7058 is at 6.547596 0.906958 1.556443 ESP Fit Center 7059 is at 6.655872 1.311051 1.556443 ESP Fit Center 7060 is at 6.655872 1.727806 1.139687 ESP Fit Center 7061 is at 6.617889 2.149832 1.139687 ESP Fit Center 7062 is at 6.505161 2.558294 1.139687 ESP Fit Center 7063 is at 6.321311 2.940063 1.139687 ESP Fit Center 7064 is at 6.072247 3.282870 1.139687 ESP Fit Center 7065 is at 6.321311 0.515549 1.139687 ESP Fit Center 7066 is at 6.505161 0.897318 1.139687 ESP Fit Center 7067 is at 6.617889 1.305780 1.139687 ESP Fit Center 7068 is at 6.547596 1.727806 0.735594 ESP Fit Center 7069 is at 6.506841 2.154617 0.735594 ESP Fit Center 7070 is at 6.386047 2.566002 0.735594 ESP Fit Center 7071 is at 6.189581 2.947093 0.735594 ESP Fit Center 7072 is at 6.386047 0.889610 0.735594 ESP Fit Center 7073 is at 6.506841 1.300995 0.735594 ESP Fit Center 7074 is at 6.370795 1.727806 0.356443 ESP Fit Center 7075 is at 6.328249 2.146197 0.356443 ESP Fit Center 7076 is at 6.202352 2.547459 0.356443 ESP Fit Center 7077 is at 6.202352 0.908153 0.356443 ESP Fit Center 7078 is at 6.328249 1.309415 0.356443 ESP Fit Center 7079 is at 6.130840 1.727806 0.013752 ESP Fit Center 7080 is at 6.081283 2.151795 0.013752 ESP Fit Center 7081 is at 6.081283 1.303817 0.013752 ESP Fit Center 7082 is at 5.835024 1.727806 -0.282064 ESP Fit Center 7083 is at 2.336892 1.077796 4.325325 ESP Fit Center 7084 is at 2.754211 1.077796 4.294051 ESP Fit Center 7085 is at 2.545551 1.439204 4.294051 ESP Fit Center 7086 is at 2.128233 1.439204 4.294051 ESP Fit Center 7087 is at 1.919574 1.077796 4.294051 ESP Fit Center 7088 is at 2.128233 0.716388 4.294051 ESP Fit Center 7089 is at 2.545551 0.716388 4.294051 ESP Fit Center 7090 is at 3.162207 1.077796 4.200929 ESP Fit Center 7091 is at 2.336892 1.903111 4.200929 ESP Fit Center 7092 is at 1.924235 1.792539 4.200929 ESP Fit Center 7093 is at 1.622149 1.490453 4.200929 ESP Fit Center 7094 is at 1.511578 1.077796 4.200929 ESP Fit Center 7095 is at 1.622149 0.665139 4.200929 ESP Fit Center 7096 is at 3.051636 0.665139 4.200929 ESP Fit Center 7097 is at 1.729455 2.129908 4.048038 ESP Fit Center 7098 is at 1.406244 1.858702 4.048038 ESP Fit Center 7099 is at 1.195284 1.493308 4.048038 ESP Fit Center 7100 is at 1.122018 1.077796 4.048038 ESP Fit Center 7101 is at 3.478501 0.662285 4.048038 ESP Fit Center 7102 is at 1.221575 2.193113 3.838793 ESP Fit Center 7103 is at 0.970914 1.866444 3.838793 ESP Fit Center 7104 is at 0.813341 1.486030 3.838793 ESP Fit Center 7105 is at 0.759596 1.077796 3.838793 ESP Fit Center 7106 is at 0.954246 2.387509 3.577870 ESP Fit Center 7107 is at 0.705022 2.059660 3.577870 ESP Fit Center 7108 is at 0.532102 1.685901 3.577870 ESP Fit Center 7109 is at 0.443573 1.283707 3.577870 ESP Fit Center 7110 is at 0.903318 2.732229 3.271096 ESP Fit Center 7111 is at 0.616121 2.431025 3.271096 ESP Fit Center 7112 is at 0.391118 2.080913 3.271096 ESP Fit Center 7113 is at 0.236439 1.694545 3.271096 ESP Fit Center 7114 is at 0.157677 1.285886 3.271096 ESP Fit Center 7115 is at 0.586242 2.755659 2.925325 ESP Fit Center 7116 is at 0.327863 2.435663 2.925325 ESP Fit Center 7117 is at 0.127281 2.076604 2.925325 ESP Fit Center 7118 is at -0.009735 1.688810 2.925325 ESP Fit Center 7119 is at 0.493856 2.920832 2.548280 ESP Fit Center 7120 is at 0.228233 2.609827 2.548280 ESP Fit Center 7121 is at 0.014531 2.261098 2.548280 ESP Fit Center 7122 is at -0.141986 1.883232 2.548280 ESP Fit Center 7123 is at 0.520687 3.115736 2.148383 ESP Fit Center 7124 is at 0.230883 2.814610 2.148383 ESP Fit Center 7125 is at 2.247862 -0.259519 4.331808 ESP Fit Center 7126 is at 2.665797 -0.259519 4.307466 ESP Fit Center 7127 is at 2.456830 0.102423 4.307466 ESP Fit Center 7128 is at 2.038895 0.102423 4.307466 ESP Fit Center 7129 is at 1.829928 -0.259519 4.307466 ESP Fit Center 7130 is at 2.038895 -0.621461 4.307466 ESP Fit Center 7131 is at 2.456830 -0.621461 4.307466 ESP Fit Center 7132 is at 3.078080 -0.259519 4.234769 ESP Fit Center 7133 is at 2.966852 0.155589 4.234769 ESP Fit Center 7134 is at 1.832754 0.459470 4.234769 ESP Fit Center 7135 is at 1.528873 0.155589 4.234769 ESP Fit Center 7136 is at 1.417645 -0.259519 4.234769 ESP Fit Center 7137 is at 1.528873 -0.674628 4.234769 ESP Fit Center 7138 is at 1.832754 -0.978508 4.234769 ESP Fit Center 7139 is at 2.247862 -1.089736 4.234769 ESP Fit Center 7140 is at 2.662971 -0.978508 4.234769 ESP Fit Center 7141 is at 2.966852 -0.674628 4.234769 ESP Fit Center 7142 is at 3.479135 -0.259519 4.114701 ESP Fit Center 7143 is at 3.404880 0.161601 4.114701 ESP Fit Center 7144 is at 1.304653 0.531927 4.114701 ESP Fit Center 7145 is at 1.090845 0.161601 4.114701 ESP Fit Center 7146 is at 1.016590 -0.259519 4.114701 ESP Fit Center 7147 is at 1.090845 -0.680639 4.114701 ESP Fit Center 7148 is at 2.461671 -1.472086 4.114701 ESP Fit Center 7149 is at 2.863499 -1.325833 4.114701 ESP Fit Center 7150 is at 3.191072 -1.050966 4.114701 ESP Fit Center 7151 is at 3.404880 -0.680639 4.114701 ESP Fit Center 7152 is at 3.863539 -0.259519 3.948885 ESP Fit Center 7153 is at 3.808487 0.158649 3.948885 ESP Fit Center 7154 is at 3.647080 0.548319 3.948885 ESP Fit Center 7155 is at 0.848645 0.548319 3.948885 ESP Fit Center 7156 is at 0.687238 0.158649 3.948885 ESP Fit Center 7157 is at 0.632185 -0.259519 3.948885 ESP Fit Center 7158 is at 2.666030 -1.820143 3.948885 ESP Fit Center 7159 is at 3.055701 -1.658737 3.948885 ESP Fit Center 7160 is at 3.390319 -1.401976 3.948885 ESP Fit Center 7161 is at 3.647080 -1.067358 3.948885 ESP Fit Center 7162 is at 3.808487 -0.677687 3.948885 ESP Fit Center 7163 is at 4.226095 -0.259519 3.739564 ESP Fit Center 7164 is at 4.182866 0.151778 3.739564 ESP Fit Center 7165 is at 0.440657 0.545100 3.739564 ESP Fit Center 7166 is at 0.312859 0.151778 3.739564 ESP Fit Center 7167 is at 0.269630 -0.259519 3.739564 ESP Fit Center 7168 is at 2.859170 -2.140930 3.739564 ESP Fit Center 7169 is at 3.236979 -1.972719 3.739564 ESP Fit Center 7170 is at 3.571558 -1.729632 3.739564 ESP Fit Center 7171 is at 3.848286 -1.422295 3.739564 ESP Fit Center 7172 is at 4.055068 -1.064139 3.739564 ESP Fit Center 7173 is at 4.182866 -0.670817 3.739564 ESP Fit Center 7174 is at 4.561898 -0.259519 3.489568 ESP Fit Center 7175 is at 4.524710 0.153668 3.489568 ESP Fit Center 7176 is at 0.162989 0.744503 3.489568 ESP Fit Center 7177 is at 0.017218 0.356099 3.489568 ESP Fit Center 7178 is at -0.056857 -0.052091 3.489568 ESP Fit Center 7179 is at -0.056857 -0.466948 3.489568 ESP Fit Center 7180 is at 3.344411 -2.297249 3.489568 ESP Fit Center 7181 is at 3.690640 -2.068705 3.489568 ESP Fit Center 7182 is at 3.990496 -1.782013 3.489568 ESP Fit Center 7183 is at 4.234343 -1.446386 3.489568 ESP Fit Center 7184 is at 4.414343 -1.072613 3.489568 ESP Fit Center 7185 is at 4.524710 -0.672706 3.489568 ESP Fit Center 7186 is at 4.866408 -0.259519 3.202278 ESP Fit Center 7187 is at -0.085278 0.929275 3.202278 ESP Fit Center 7188 is at -0.242522 0.549656 3.202278 ESP Fit Center 7189 is at -0.338444 0.150111 3.202278 ESP Fit Center 7190 is at -0.370683 -0.259519 3.202278 ESP Fit Center 7191 is at 3.436657 -2.592660 3.202278 ESP Fit Center 7192 is at 3.787005 -2.377967 3.202278 ESP Fit Center 7193 is at 4.099453 -2.111110 3.202278 ESP Fit Center 7194 is at 4.366310 -1.798662 3.202278 ESP Fit Center 7195 is at 4.581003 -1.448314 3.202278 ESP Fit Center 7196 is at 4.738247 -1.068694 3.202278 ESP Fit Center 7197 is at 4.834169 -0.669150 3.202278 ESP Fit Center 7198 is at 5.135506 -0.259519 2.881579 ESP Fit Center 7199 is at -0.181378 1.301659 2.881579 ESP Fit Center 7200 is at -0.378830 0.940051 2.881579 ESP Fit Center 7201 is at -0.522811 0.554024 2.881579 ESP Fit Center 7202 is at -0.610389 0.151435 2.881579 ESP Fit Center 7203 is at -0.639781 -0.259519 2.881579 ESP Fit Center 7204 is at 3.447433 -2.886212 2.881579 ESP Fit Center 7205 is at 3.809040 -2.688760 2.881579 ESP Fit Center 7206 is at 4.138867 -2.441855 2.881579 ESP Fit Center 7207 is at 4.430198 -2.150524 2.881579 ESP Fit Center 7208 is at 4.677103 -1.820697 2.881579 ESP Fit Center 7209 is at 4.874555 -1.459090 2.881579 ESP Fit Center 7210 is at 5.018536 -1.073062 2.881579 ESP Fit Center 7211 is at 5.106114 -0.670474 2.881579 ESP Fit Center 7212 is at 5.365554 -0.259519 2.531808 ESP Fit Center 7213 is at -0.322492 1.504929 2.531808 ESP Fit Center 7214 is at -0.534736 1.146591 2.531808 ESP Fit Center 7215 is at -0.697324 0.763161 2.531808 ESP Fit Center 7216 is at -0.807356 0.361481 2.531808 ESP Fit Center 7217 is at -0.862867 -0.051280 2.531808 ESP Fit Center 7218 is at -0.862867 -0.467758 2.531808 ESP Fit Center 7219 is at 5.254780 -1.083199 2.531808 ESP Fit Center 7220 is at 5.337736 -0.675067 2.531808 ESP Fit Center 7221 is at 1.422520 -3.608067 -0.300684 ESP Fit Center 7222 is at 1.226383 -3.403311 -0.694079 ESP Fit Center 7223 is at 1.628459 -3.506546 -0.694079 ESP Fit Center 7224 is at 4.548969 1.105195 -1.925019 ESP Fit Center 7225 is at 4.499001 0.694789 -2.328531 ESP Fit Center 7226 is at 4.418839 1.106403 -2.328531 ESP Fit Center 7227 is at 4.352408 0.276303 -2.713945 ESP Fit Center 7228 is at 4.323543 0.698297 -2.713945 ESP Fit Center 7229 is at 4.237485 1.112430 -2.713945 ESP Fit Center 7230 is at 4.133755 0.276303 -3.075641 ESP Fit Center 7231 is at 4.103060 0.695699 -3.075641 ESP Fit Center 7232 is at 4.011626 1.106157 -3.075641 ESP Fit Center 7233 is at 4.103060 -0.143092 -3.075641 ESP Fit Center 7234 is at 3.873099 0.276303 -3.408343 ESP Fit Center 7235 is at 3.839174 0.696547 -3.408343 ESP Fit Center 7236 is at 3.738276 1.105906 -3.408343 ESP Fit Center 7237 is at -0.403561 2.305604 -3.408343 ESP Fit Center 7238 is at -0.707627 2.013544 -3.408343 ESP Fit Center 7239 is at 3.839174 -0.143940 -3.408343 ESP Fit Center 7240 is at 3.574241 0.276303 -3.707202 ESP Fit Center 7241 is at 3.536943 0.690721 -3.707202 ESP Fit Center 7242 is at 3.426247 1.091820 -3.707202 ESP Fit Center 7243 is at -0.025281 2.213289 -3.707202 ESP Fit Center 7244 is at -0.350596 1.953859 -3.707202 ESP Fit Center 7245 is at -0.624359 1.640512 -3.707202 ESP Fit Center 7246 is at -0.837773 1.283317 -3.707202 ESP Fit Center 7247 is at -0.983978 0.893756 -3.707202 ESP Fit Center 7248 is at -1.058274 0.484350 -3.707202 ESP Fit Center 7249 is at -1.058274 0.068257 -3.707202 ESP Fit Center 7250 is at -0.983978 -0.341149 -3.707202 ESP Fit Center 7251 is at -0.837773 -0.730710 -3.707202 ESP Fit Center 7252 is at 3.241538 0.276303 -3.967858 ESP Fit Center 7253 is at 3.198091 0.689679 -3.967858 ESP Fit Center 7254 is at 3.069647 1.084988 -3.967858 ESP Fit Center 7255 is at 0.259199 1.998158 -3.967858 ESP Fit Center 7256 is at -0.077071 1.753844 -3.967858 ESP Fit Center 7257 is at -0.355197 1.444954 -3.967858 ESP Fit Center 7258 is at -0.563024 1.084988 -3.967858 ESP Fit Center 7259 is at -0.691467 0.689679 -3.967858 ESP Fit Center 7260 is at -0.734915 0.276303 -3.967858 ESP Fit Center 7261 is at -0.691467 -0.137072 -3.967858 ESP Fit Center 7262 is at -0.563024 -0.532381 -3.967858 ESP Fit Center 7263 is at 2.879843 0.276303 -4.186510 ESP Fit Center 7264 is at 2.824420 0.697281 -4.186510 ESP Fit Center 7265 is at 2.661929 1.089569 -4.186510 ESP Fit Center 7266 is at 2.403443 1.426435 -4.186510 ESP Fit Center 7267 is at 0.832335 1.847412 -4.186510 ESP Fit Center 7268 is at 0.440046 1.684921 -4.186510 ESP Fit Center 7269 is at 0.103181 1.426435 -4.186510 ESP Fit Center 7270 is at -0.155305 1.089569 -4.186510 ESP Fit Center 7271 is at -0.317797 0.697281 -4.186510 ESP Fit Center 7272 is at -0.373219 0.276303 -4.186510 ESP Fit Center 7273 is at -0.317797 -0.144674 -4.186510 ESP Fit Center 7274 is at 2.494429 0.276303 -4.359971 ESP Fit Center 7275 is at 2.419580 0.700791 -4.359971 ESP Fit Center 7276 is at 2.204063 1.074078 -4.359971 ESP Fit Center 7277 is at 1.873870 1.351142 -4.359971 ESP Fit Center 7278 is at 1.468830 1.498565 -4.359971 ESP Fit Center 7279 is at 1.037794 1.498565 -4.359971 ESP Fit Center 7280 is at 0.632753 1.351142 -4.359971 ESP Fit Center 7281 is at 0.302561 1.074078 -4.359971 ESP Fit Center 7282 is at 0.087043 0.700791 -4.359971 ESP Fit Center 7283 is at 0.012195 0.276303 -4.359971 ESP Fit Center 7284 is at 0.087043 -0.148184 -4.359971 ESP Fit Center 7285 is at 2.090917 0.276303 -4.485710 ESP Fit Center 7286 is at 1.978699 0.695106 -4.485710 ESP Fit Center 7287 is at 1.672114 1.001691 -4.485710 ESP Fit Center 7288 is at 1.253312 1.113908 -4.485710 ESP Fit Center 7289 is at 0.834509 1.001691 -4.485710 ESP Fit Center 7290 is at 0.527925 0.695106 -4.485710 ESP Fit Center 7291 is at 0.415707 0.276303 -4.485710 ESP Fit Center 7292 is at 1.675190 0.276303 -4.561895 ESP Fit Center 7293 is at 1.464251 0.641661 -4.561895 ESP Fit Center 7294 is at 1.042373 0.641661 -4.561895 ESP Fit Center 7295 is at 0.831433 0.276303 -4.561895 ESP Fit Center 7296 is at 1.253312 0.276303 -4.587414 ESP Fit Center 7297 is at 1.559494 -1.353908 4.180949 ESP Fit Center 7298 is at 1.350834 -0.992499 4.149676 ESP Fit Center 7299 is at 1.142175 -1.353908 4.149676 ESP Fit Center 7300 is at 1.350834 -1.715316 4.149676 ESP Fit Center 7301 is at 1.768153 -1.715316 4.149676 ESP Fit Center 7302 is at 0.844750 -0.941250 4.056553 ESP Fit Center 7303 is at 0.734179 -1.353908 4.056553 ESP Fit Center 7304 is at 0.844750 -1.766565 4.056553 ESP Fit Center 7305 is at 1.146836 -2.068651 4.056553 ESP Fit Center 7306 is at 1.559494 -2.179222 4.056553 ESP Fit Center 7307 is at 1.972151 -2.068651 4.056553 ESP Fit Center 7308 is at 2.274237 -1.766565 4.056553 ESP Fit Center 7309 is at 0.417885 -0.938396 3.903662 ESP Fit Center 7310 is at 0.344619 -1.353908 3.903662 ESP Fit Center 7311 is at 0.417885 -1.769419 3.903662 ESP Fit Center 7312 is at 0.628846 -2.134814 3.903662 ESP Fit Center 7313 is at 0.952056 -2.406020 3.903662 ESP Fit Center 7314 is at 1.348533 -2.550325 3.903662 ESP Fit Center 7315 is at 1.770454 -2.550325 3.903662 ESP Fit Center 7316 is at 2.166931 -2.406020 3.903662 ESP Fit Center 7317 is at 2.490141 -2.134814 3.903662 ESP Fit Center 7318 is at 0.193515 -0.565259 3.694418 ESP Fit Center 7319 is at 0.035942 -0.945673 3.694418 ESP Fit Center 7320 is at -0.017803 -1.353908 3.694418 ESP Fit Center 7321 is at 0.035942 -1.762142 3.694418 ESP Fit Center 7322 is at 0.193515 -2.142556 3.694418 ESP Fit Center 7323 is at 0.444177 -2.469224 3.694418 ESP Fit Center 7324 is at 0.770845 -2.719886 3.694418 ESP Fit Center 7325 is at 1.151259 -2.877459 3.694418 ESP Fit Center 7326 is at 1.559494 -2.931204 3.694418 ESP Fit Center 7327 is at 1.967728 -2.877459 3.694418 ESP Fit Center 7328 is at 2.348142 -2.719886 3.694418 ESP Fit Center 7329 is at 2.674810 -2.469224 3.694418 ESP Fit Center 7330 is at -0.245296 -0.745803 3.433495 ESP Fit Center 7331 is at -0.333826 -1.147997 3.433495 ESP Fit Center 7332 is at -0.333826 -1.559818 3.433495 ESP Fit Center 7333 is at -0.245296 -1.962012 3.433495 ESP Fit Center 7334 is at -0.072377 -2.335771 3.433495 ESP Fit Center 7335 is at 0.176847 -2.663620 3.433495 ESP Fit Center 7336 is at 0.490722 -2.930228 3.433495 ESP Fit Center 7337 is at 0.854572 -3.123129 3.433495 ESP Fit Center 7338 is at 1.251382 -3.233303 3.433495 ESP Fit Center 7339 is at 1.662600 -3.255598 3.433495 ESP Fit Center 7340 is at 2.068997 -3.188973 3.433495 ESP Fit Center 7341 is at 2.451570 -3.036542 3.433495 ESP Fit Center 7342 is at 2.792430 -2.805433 3.433495 ESP Fit Center 7343 is at 3.075640 -2.506452 3.433495 ESP Fit Center 7344 is at -0.540960 -0.737159 3.126721 ESP Fit Center 7345 is at -0.619722 -1.145818 3.126721 ESP Fit Center 7346 is at -0.619722 -1.561997 3.126721 ESP Fit Center 7347 is at -0.540960 -1.970656 3.126721 ESP Fit Center 7348 is at -0.386281 -2.357024 3.126721 ESP Fit Center 7349 is at -0.161277 -2.707137 3.126721 ESP Fit Center 7350 is at 0.125920 -3.008340 3.126721 ESP Fit Center 7351 is at 0.464929 -3.249748 3.126721 ESP Fit Center 7352 is at 0.843500 -3.422635 3.126721 ESP Fit Center 7353 is at 1.247948 -3.520753 3.126721 ESP Fit Center 7354 is at 1.663656 -3.540556 3.126721 ESP Fit Center 7355 is at 2.075600 -3.481328 3.126721 ESP Fit Center 7356 is at 2.468890 -3.345209 3.126721 ESP Fit Center 7357 is at 2.829312 -3.137119 3.126721 ESP Fit Center 7358 is at 3.143840 -2.864579 3.126721 ESP Fit Center 7359 is at -0.787134 -0.742893 2.780949 ESP Fit Center 7360 is at -0.856642 -1.148264 2.780949 ESP Fit Center 7361 is at -0.856642 -1.559551 2.780949 ESP Fit Center 7362 is at -0.449536 -2.711774 2.780949 ESP Fit Center 7363 is at -0.191157 -3.031770 2.780949 ESP Fit Center 7364 is at 0.117585 -3.303497 2.780949 ESP Fit Center 7365 is at 0.467808 -3.519138 2.780949 ESP Fit Center 7366 is at 0.849436 -3.672489 2.780949 ESP Fit Center 7367 is at 1.251492 -3.759138 2.780949 ESP Fit Center 7368 is at 1.662408 -3.776594 2.780949 ESP Fit Center 7369 is at 2.070364 -3.724353 2.780949 ESP Fit Center 7370 is at 2.463622 -3.603919 2.780949 ESP Fit Center 7371 is at 2.830871 -3.418756 2.780949 ESP Fit Center 7372 is at 3.161545 -3.174191 2.780949 ESP Fit Center 7373 is at -1.014863 -0.946169 2.403904 ESP Fit Center 7374 is at -0.283542 -3.196944 2.403904 ESP Fit Center 7375 is at 0.027463 -3.462567 2.403904 ESP Fit Center 7376 is at 0.376192 -3.676268 2.403904 ESP Fit Center 7377 is at 0.754057 -3.832785 2.403904 ESP Fit Center 7378 is at 1.151756 -3.928264 2.403904 ESP Fit Center 7379 is at 1.559494 -3.960354 2.403904 ESP Fit Center 7380 is at 1.967232 -3.928264 2.403904 ESP Fit Center 7381 is at 2.364930 -3.832785 2.403904 ESP Fit Center 7382 is at 2.742796 -3.676268 2.403904 ESP Fit Center 7383 is at 0.075664 -3.645206 2.004008 ESP Fit Center 7384 is at 0.442819 -3.844858 2.004008 ESP Fit Center 7385 is at 0.836148 -3.986125 2.004008 ESP Fit Center 7386 is at 1.246431 -4.065695 2.004008 ESP Fit Center 7387 is at 1.664052 -4.081702 2.004008 ESP Fit Center 7388 is at 2.079223 -4.033773 2.004008 ESP Fit Center 7389 is at 2.482211 -3.923030 2.004008 ESP Fit Center 7390 is at -0.181396 -3.536914 1.590194 ESP Fit Center 7391 is at 0.163408 -3.771998 1.590194 ESP Fit Center 7392 is at 0.539399 -3.953066 1.590194 ESP Fit Center 7393 is at 0.938177 -4.076073 1.590194 ESP Fit Center 7394 is at 1.350834 -4.138271 1.590194 ESP Fit Center 7395 is at 1.768153 -4.138271 1.590194 ESP Fit Center 7396 is at 2.180810 -4.076073 1.590194 ESP Fit Center 7397 is at -0.181396 -3.536914 1.171705 ESP Fit Center 7398 is at 0.163408 -3.771998 1.171705 ESP Fit Center 7399 is at 0.539399 -3.953066 1.171705 ESP Fit Center 7400 is at 0.938177 -4.076073 1.171705 ESP Fit Center 7401 is at 1.350834 -4.138271 1.171705 ESP Fit Center 7402 is at 1.768153 -4.138271 1.171705 ESP Fit Center 7403 is at 0.075664 -3.645206 0.757891 ESP Fit Center 7404 is at 0.442819 -3.844858 0.757891 ESP Fit Center 7405 is at 0.836148 -3.986125 0.757891 ESP Fit Center 7406 is at 1.246431 -4.065695 0.757891 ESP Fit Center 7407 is at 1.664052 -4.081702 0.757891 ESP Fit Center 7408 is at 0.376192 -3.676268 0.357995 ESP Fit Center 7409 is at 0.754057 -3.832785 0.357995 ESP Fit Center 7410 is at 1.151756 -3.928264 0.357995 ESP Fit Center 7411 is at 1.559494 -3.960354 0.357995 ESP Fit Center 7412 is at 0.849436 -3.672489 -0.019051 ESP Fit Center 7413 is at 1.251492 -3.759138 -0.019051 ESP Fit Center 7414 is at 1.662408 -3.776594 -0.019051 ESP Fit Center 7415 is at 5.614689 -0.504129 2.281730 ESP Fit Center 7416 is at 5.570163 -0.913537 2.281730 ESP Fit Center 7417 is at 5.899333 -0.504129 1.974956 ESP Fit Center 7418 is at 5.859773 -0.089834 1.974956 ESP Fit Center 7419 is at 6.135076 -0.504129 1.629185 ESP Fit Center 7420 is at 6.100197 -0.094324 1.629185 ESP Fit Center 7421 is at 6.284562 -0.096391 1.252139 ESP Fit Center 7422 is at 6.312785 0.319507 0.852243 ESP Fit Center 7423 is at 6.378328 0.318877 0.438429 ESP Fit Center 7424 is at 6.225864 0.707348 0.438429 ESP Fit Center 7425 is at 6.225864 0.707348 0.019940 ESP Fit Center 7426 is at 6.017205 1.068756 0.019940 ESP Fit Center 7427 is at 6.156556 0.707136 -0.393874 ESP Fit Center 7428 is at 5.942987 1.066374 -0.393874 ESP Fit Center 7429 is at 5.677084 1.388801 -0.393874 ESP Fit Center 7430 is at 6.032566 0.679173 -0.793770 ESP Fit Center 7431 is at 5.818865 1.027901 -0.793770 ESP Fit Center 7432 is at 5.553241 1.338907 -0.793770 ESP Fit Center 7433 is at 5.827152 0.678468 -1.170815 ESP Fit Center 7434 is at 5.596842 1.019223 -1.170815 ESP Fit Center 7435 is at 5.312256 1.316154 -1.170815 ESP Fit Center 7436 is at 4.981583 1.560719 -1.170815 ESP Fit Center 7437 is at 5.551817 0.679403 -1.516587 ESP Fit Center 7438 is at 5.294552 1.006542 -1.516587 ESP Fit Center 7439 is at 4.980024 1.279082 -1.516587 ESP Fit Center 7440 is at 4.619602 1.487172 -1.516587 ESP Fit Center 7441 is at 5.226351 0.648415 -1.823361 ESP Fit Center 7442 is at 4.943142 0.947396 -1.823361 ESP Fit Center 7443 is at 4.602281 1.178505 -1.823361 ESP Fit Center 7444 is at 4.825522 0.611187 -2.084284 ESP Fit Center 7445 is at 4.984114 -1.769296 2.622277 ESP Fit Center 7446 is at 4.875676 -2.173991 2.622277 ESP Fit Center 7447 is at 5.369927 -1.769296 2.485159 ESP Fit Center 7448 is at 5.297847 -1.360512 2.485159 ESP Fit Center 7449 is at 5.090302 -2.537557 2.485159 ESP Fit Center 7450 is at 5.297847 -2.178079 2.485159 ESP Fit Center 7451 is at 5.733475 -1.769296 2.296783 ESP Fit Center 7452 is at 5.675672 -1.348749 2.296783 ESP Fit Center 7453 is at 5.238654 -2.908487 2.296783 ESP Fit Center 7454 is at 5.506551 -2.579198 2.296783 ESP Fit Center 7455 is at 5.675672 -2.189842 2.296783 ESP Fit Center 7456 is at 6.067987 -1.769296 2.060659 ESP Fit Center 7457 is at 6.023724 -1.362300 2.060659 ESP Fit Center 7458 is at 5.893003 -0.974335 2.060659 ESP Fit Center 7459 is at 5.681938 -2.915050 2.060659 ESP Fit Center 7460 is at 5.893003 -2.564256 2.060659 ESP Fit Center 7461 is at 6.023724 -2.176291 2.060659 ESP Fit Center 7462 is at 5.761516 -3.282299 1.781185 ESP Fit Center 7463 is at 6.019178 -2.954655 1.781185 ESP Fit Center 7464 is at 6.210177 -2.584168 1.781185 ESP Fit Center 7465 is at 5.793977 -3.609126 1.463566 ESP Fit Center 7466 is at 6.081619 -3.309006 1.463566 ESP Fit Center 7467 is at 5.740381 -3.924238 1.113720 ESP Fit Center 7468 is at 6.058212 -3.652785 1.113720 ESP Fit Center 7469 is at 5.647308 -4.182218 0.738164 ESP Fit Center 7470 is at 5.982940 -3.942094 0.738164 ESP Fit Center 7471 is at 6.280032 -3.655661 0.738164 ESP Fit Center 7472 is at 5.462330 -4.409280 0.343893 ESP Fit Center 7473 is at 5.817214 -4.204388 0.343893 ESP Fit Center 7474 is at 6.140129 -3.952099 0.343893 ESP Fit Center 7475 is at 5.099613 -4.615814 -0.061748 ESP Fit Center 7476 is at 5.486771 -4.459392 -0.061748 ESP Fit Center 7477 is at 5.848391 -4.250610 -0.061748 ESP Fit Center 7478 is at 6.177435 -3.993533 -0.061748 ESP Fit Center 7479 is at 4.694453 -4.716831 -0.471202 ESP Fit Center 7480 is at 5.099613 -4.615814 -0.471202 ESP Fit Center 7481 is at 5.486771 -4.459392 -0.471202 ESP Fit Center 7482 is at 5.848391 -4.250610 -0.471202 ESP Fit Center 7483 is at 6.177435 -3.993533 -0.471202 ESP Fit Center 7484 is at 1.798436 -3.495769 -0.876843 ESP Fit Center 7485 is at 2.061841 -3.809682 -0.876843 ESP Fit Center 7486 is at 2.366370 -4.083882 -0.876843 ESP Fit Center 7487 is at 2.706097 -4.313031 -0.876843 ESP Fit Center 7488 is at 3.074409 -4.492668 -0.876843 ESP Fit Center 7489 is at 3.464138 -4.619299 -0.876843 ESP Fit Center 7490 is at 3.867697 -4.690457 -0.876843 ESP Fit Center 7491 is at 4.277232 -4.704759 -0.876843 ESP Fit Center 7492 is at 4.684772 -4.661924 -0.876843 ESP Fit Center 7493 is at 5.082384 -4.562788 -0.876843 ESP Fit Center 7494 is at 5.462330 -4.409280 -0.876843 ESP Fit Center 7495 is at 5.817214 -4.204388 -0.876843 ESP Fit Center 7496 is at 6.140129 -3.952099 -0.876843 ESP Fit Center 7497 is at 5.982940 0.403503 -1.271114 ESP Fit Center 7498 is at 2.212726 -3.804306 -1.271114 ESP Fit Center 7499 is at 2.529935 -4.068289 -1.271114 ESP Fit Center 7500 is at 2.882199 -4.283273 -1.271114 ESP Fit Center 7501 is at 3.262011 -4.444675 -1.271114 ESP Fit Center 7502 is at 3.661275 -4.549057 -1.271114 ESP Fit Center 7503 is at 4.071483 -4.594192 -1.271114 ESP Fit Center 7504 is at 4.483892 -4.579120 -1.271114 ESP Fit Center 7505 is at 4.889711 -4.504162 -1.271114 ESP Fit Center 7506 is at 5.280291 -4.370914 -1.271114 ESP Fit Center 7507 is at 5.647308 -4.182218 -1.271114 ESP Fit Center 7508 is at 5.982940 -3.942094 -1.271114 ESP Fit Center 7509 is at 6.280032 -3.655661 -1.271114 ESP Fit Center 7510 is at 6.058212 0.114193 -1.646670 ESP Fit Center 7511 is at 5.740381 0.385647 -1.646670 ESP Fit Center 7512 is at 2.965449 -4.142630 -1.646670 ESP Fit Center 7513 is at 3.351608 -4.302583 -1.646670 ESP Fit Center 7514 is at 3.758036 -4.400157 -1.646670 ESP Fit Center 7515 is at 4.174723 -4.432951 -1.646670 ESP Fit Center 7516 is at 4.591411 -4.400157 -1.646670 ESP Fit Center 7517 is at 4.997838 -4.302583 -1.646670 ESP Fit Center 7518 is at 5.383998 -4.142630 -1.646670 ESP Fit Center 7519 is at 5.740381 -3.924238 -1.646670 ESP Fit Center 7520 is at 6.058212 -3.652785 -1.646670 ESP Fit Center 7521 is at 6.081619 -0.229585 -1.996516 ESP Fit Center 7522 is at 5.793977 0.070534 -1.996516 ESP Fit Center 7523 is at 5.459753 0.317725 -1.996516 ESP Fit Center 7524 is at 5.088561 0.504877 -1.996516 ESP Fit Center 7525 is at 3.863414 -4.200354 -1.996516 ESP Fit Center 7526 is at 4.278743 -4.217997 -1.996516 ESP Fit Center 7527 is at 4.691079 -4.165195 -1.996516 ESP Fit Center 7528 is at 5.088561 -4.043468 -1.996516 ESP Fit Center 7529 is at 5.459753 -3.856317 -1.996516 ESP Fit Center 7530 is at 5.793977 -3.609126 -1.996516 ESP Fit Center 7531 is at 6.081619 -3.309006 -1.996516 ESP Fit Center 7532 is at 6.019178 -0.583936 -2.314134 ESP Fit Center 7533 is at 5.761516 -0.256292 -2.314134 ESP Fit Center 7534 is at 5.446503 0.016669 -2.314134 ESP Fit Center 7535 is at 5.085524 0.225080 -2.314134 ESP Fit Center 7536 is at 4.691627 0.361409 -2.314134 ESP Fit Center 7537 is at 4.691627 -3.900000 -2.314134 ESP Fit Center 7538 is at 5.085524 -3.763671 -2.314134 ESP Fit Center 7539 is at 5.446503 -3.555260 -2.314134 ESP Fit Center 7540 is at 5.761516 -3.282299 -2.314134 ESP Fit Center 7541 is at 6.019178 -2.954655 -2.314134 ESP Fit Center 7542 is at 6.210177 -2.584168 -2.314134 ESP Fit Center 7543 is at 6.067987 -1.769296 -2.593609 ESP Fit Center 7544 is at 6.023724 -1.362300 -2.593609 ESP Fit Center 7545 is at 5.893003 -0.974335 -2.593609 ESP Fit Center 7546 is at 5.681938 -0.623541 -2.593609 ESP Fit Center 7547 is at 5.400396 -0.326322 -2.593609 ESP Fit Center 7548 is at 5.061544 -0.096574 -2.593609 ESP Fit Center 7549 is at 4.681225 0.054959 -2.593609 ESP Fit Center 7550 is at 5.400396 -3.212269 -2.593609 ESP Fit Center 7551 is at 5.681938 -2.915050 -2.593609 ESP Fit Center 7552 is at 5.893003 -2.564256 -2.593609 ESP Fit Center 7553 is at 6.023724 -2.176291 -2.593609 ESP Fit Center 7554 is at 5.733475 -1.769296 -2.829733 ESP Fit Center 7555 is at 5.675672 -1.348749 -2.829733 ESP Fit Center 7556 is at 5.506551 -0.959393 -2.829733 ESP Fit Center 7557 is at 5.238654 -0.630104 -2.829733 ESP Fit Center 7558 is at 4.891851 -0.385303 -2.829733 ESP Fit Center 7559 is at 5.675672 -2.189842 -2.829733 ESP Fit Center 7560 is at 2.181051 -3.618165 -1.689062 ESP Fit Center 7561 is at 2.512338 -3.882358 -1.689062 ESP Fit Center 7562 is at 2.885474 -4.083151 -1.689062 ESP Fit Center 7563 is at 2.337521 -3.614225 -2.093154 ESP Fit Center 7564 is at 2.686773 -3.862926 -2.093154 ESP Fit Center 7565 is at 3.076780 -4.041036 -2.093154 ESP Fit Center 7566 is at 3.493447 -4.142119 -2.093154 ESP Fit Center 7567 is at 3.921714 -4.162519 -2.093154 ESP Fit Center 7568 is at 2.542166 -3.553408 -2.472306 ESP Fit Center 7569 is at 2.899062 -3.775863 -2.472306 ESP Fit Center 7570 is at 3.293433 -3.921922 -2.472306 ESP Fit Center 7571 is at 3.709132 -3.985605 -2.472306 ESP Fit Center 7572 is at 4.129141 -3.964304 -2.472306 ESP Fit Center 7573 is at 4.536264 -3.858893 -2.472306 ESP Fit Center 7574 is at 4.913835 -3.673686 -2.472306 ESP Fit Center 7575 is at 4.542599 -0.221665 -2.814996 ESP Fit Center 7576 is at 2.895151 -3.502005 -2.814996 ESP Fit Center 7577 is at 3.287114 -3.671082 -2.814996 ESP Fit Center 7578 is at 3.707504 -3.745208 -2.814996 ESP Fit Center 7579 is at 4.133657 -3.720387 -2.814996 ESP Fit Center 7580 is at 4.542599 -3.597958 -2.814996 ESP Fit Center 7581 is at 4.912284 -3.384520 -2.814996 ESP Fit Center 7582 is at 5.222782 -3.091581 -2.814996 ESP Fit Center 7583 is at 5.457354 -2.734932 -2.814996 ESP Fit Center 7584 is at 5.357094 -1.909812 -3.110813 ESP Fit Center 7585 is at 5.299887 -1.493599 -3.110813 ESP Fit Center 7586 is at 5.132509 -1.108254 -3.110813 ESP Fit Center 7587 is at 4.867372 -0.782358 -3.110813 ESP Fit Center 7588 is at 4.524142 -0.540080 -3.110813 ESP Fit Center 7589 is at 4.128274 -0.399388 -3.110813 ESP Fit Center 7590 is at 2.924765 -3.170143 -3.110813 ESP Fit Center 7591 is at 3.297789 -3.363428 -3.110813 ESP Fit Center 7592 is at 3.709127 -3.448905 -3.110813 ESP Fit Center 7593 is at 4.128274 -3.420235 -3.110813 ESP Fit Center 7594 is at 4.524142 -3.279543 -3.110813 ESP Fit Center 7595 is at 4.867372 -3.037265 -3.110813 ESP Fit Center 7596 is at 5.132509 -2.711369 -3.110813 ESP Fit Center 7597 is at 5.299887 -2.326024 -3.110813 ESP Fit Center 7598 is at 5.014404 -1.909812 -3.350767 ESP Fit Center 7599 is at 4.942035 -1.499387 -3.350767 ESP Fit Center 7600 is at 4.733657 -1.138466 -3.350767 ESP Fit Center 7601 is at 4.414404 -0.870581 -3.350767 ESP Fit Center 7602 is at 4.022782 -0.728042 -3.350767 ESP Fit Center 7603 is at 3.214404 -2.949042 -3.350767 ESP Fit Center 7604 is at 3.606026 -3.091581 -3.350767 ESP Fit Center 7605 is at 4.022782 -3.091581 -3.350767 ESP Fit Center 7606 is at 4.414404 -2.949042 -3.350767 ESP Fit Center 7607 is at 4.733657 -2.681157 -3.350767 ESP Fit Center 7608 is at 4.942035 -2.320236 -3.350767 ESP Fit Center 7609 is at 4.635252 -1.909812 -3.527568 ESP Fit Center 7610 is at 4.525280 -1.499387 -3.527568 ESP Fit Center 7611 is at 4.224828 -1.198936 -3.527568 ESP Fit Center 7612 is at 3.814404 -1.088963 -3.527568 ESP Fit Center 7613 is at 3.403980 -2.620687 -3.527568 ESP Fit Center 7614 is at 3.814404 -2.730660 -3.527568 ESP Fit Center 7615 is at 4.224828 -2.620687 -3.527568 ESP Fit Center 7616 is at 4.525280 -2.320236 -3.527568 ESP Fit Center 7617 is at 4.231160 -1.909812 -3.635845 ESP Fit Center 7618 is at 4.022782 -1.548891 -3.635845 ESP Fit Center 7619 is at 3.606026 -2.270733 -3.635845 ESP Fit Center 7620 is at 4.022782 -2.270733 -3.635845 ESP Fit Center 7621 is at 3.814404 -1.909812 -3.672306 ESP Fit Center 7622 is at 6.450903 -1.714176 1.827654 ESP Fit Center 7623 is at 6.378534 -1.303752 1.827654 ESP Fit Center 7624 is at 6.170156 -0.942831 1.827654 ESP Fit Center 7625 is at 6.378534 -2.124600 1.827654 ESP Fit Center 7626 is at 6.793593 -1.714176 1.587699 ESP Fit Center 7627 is at 6.736386 -1.297963 1.587699 ESP Fit Center 7628 is at 6.569007 -0.912619 1.587699 ESP Fit Center 7629 is at 6.303871 -0.586722 1.587699 ESP Fit Center 7630 is at 6.303871 -2.841629 1.587699 ESP Fit Center 7631 is at 6.569007 -2.515733 1.587699 ESP Fit Center 7632 is at 6.736386 -2.130389 1.587699 ESP Fit Center 7633 is at 7.089409 -1.714176 1.291883 ESP Fit Center 7634 is at 7.039852 -1.290187 1.291883 ESP Fit Center 7635 is at 6.893852 -0.889056 1.291883 ESP Fit Center 7636 is at 6.659281 -0.532407 1.291883 ESP Fit Center 7637 is at 6.348783 -0.239467 1.291883 ESP Fit Center 7638 is at 6.348783 -3.188885 1.291883 ESP Fit Center 7639 is at 6.659281 -2.895945 1.291883 ESP Fit Center 7640 is at 6.893852 -2.539296 1.291883 ESP Fit Center 7641 is at 7.039852 -2.138165 1.291883 ESP Fit Center 7642 is at 7.329364 -1.714176 0.949193 ESP Fit Center 7643 is at 7.286817 -1.295785 0.949193 ESP Fit Center 7644 is at 7.160921 -0.894523 0.949193 ESP Fit Center 7645 is at 6.956827 -0.526817 0.949193 ESP Fit Center 7646 is at 6.682894 -0.207722 0.949193 ESP Fit Center 7647 is at 6.350334 -3.478050 0.949193 ESP Fit Center 7648 is at 6.682894 -3.220629 0.949193 ESP Fit Center 7649 is at 6.956827 -2.901535 0.949193 ESP Fit Center 7650 is at 7.160921 -2.533829 0.949193 ESP Fit Center 7651 is at 7.286817 -2.132567 0.949193 ESP Fit Center 7652 is at 7.506165 -1.714176 0.570041 ESP Fit Center 7653 is at 7.465409 -1.287365 0.570041 ESP Fit Center 7654 is at 7.344616 -0.875980 0.570041 ESP Fit Center 7655 is at 7.148150 -0.494889 0.570041 ESP Fit Center 7656 is at 6.883113 -0.157867 0.570041 ESP Fit Center 7657 is at 6.559083 0.122907 0.570041 ESP Fit Center 7658 is at 6.559083 -3.551258 0.570041 ESP Fit Center 7659 is at 6.883113 -3.270485 0.570041 ESP Fit Center 7660 is at 7.148150 -2.933463 0.570041 ESP Fit Center 7661 is at 7.344616 -2.552372 0.570041 ESP Fit Center 7662 is at 7.465409 -2.140987 0.570041 ESP Fit Center 7663 is at 7.614441 -1.714176 0.165948 ESP Fit Center 7664 is at 7.576458 -1.292150 0.165948 ESP Fit Center 7665 is at 7.463730 -0.883688 0.165948 ESP Fit Center 7666 is at 7.279880 -0.501919 0.165948 ESP Fit Center 7667 is at 7.030816 -0.159112 0.165948 ESP Fit Center 7668 is at 6.724545 0.133713 0.165948 ESP Fit Center 7669 is at 6.370910 0.367146 0.165948 ESP Fit Center 7670 is at 6.370910 -3.795497 0.165948 ESP Fit Center 7671 is at 6.724545 -3.562065 0.165948 ESP Fit Center 7672 is at 7.030816 -3.269239 0.165948 ESP Fit Center 7673 is at 7.279880 -2.926433 0.165948 ESP Fit Center 7674 is at 7.463730 -2.544664 0.165948 ESP Fit Center 7675 is at 7.576458 -2.136202 0.165948 ESP Fit Center 7676 is at 7.650903 -1.714176 -0.250807 ESP Fit Center 7677 is at 7.614441 -1.297420 -0.250807 ESP Fit Center 7678 is at 7.506165 -0.893328 -0.250807 ESP Fit Center 7679 is at 7.329364 -0.514176 -0.250807 ESP Fit Center 7680 is at 7.089409 -0.171486 -0.250807 ESP Fit Center 7681 is at 6.793593 0.124331 -0.250807 ESP Fit Center 7682 is at 6.450903 0.364285 -0.250807 ESP Fit Center 7683 is at 6.450903 -3.792637 -0.250807 ESP Fit Center 7684 is at 6.793593 -3.552683 -0.250807 ESP Fit Center 7685 is at 7.089409 -3.256866 -0.250807 ESP Fit Center 7686 is at 7.329364 -2.914176 -0.250807 ESP Fit Center 7687 is at 7.506165 -2.535024 -0.250807 ESP Fit Center 7688 is at 7.614441 -2.130931 -0.250807 ESP Fit Center 7689 is at 7.614441 -1.714176 -0.667563 ESP Fit Center 7690 is at 7.576458 -1.292150 -0.667563 ESP Fit Center 7691 is at 7.463730 -0.883688 -0.667563 ESP Fit Center 7692 is at 7.279880 -0.501919 -0.667563 ESP Fit Center 7693 is at 7.030816 -0.159112 -0.667563 ESP Fit Center 7694 is at 6.724545 0.133713 -0.667563 ESP Fit Center 7695 is at 6.370910 0.367146 -0.667563 ESP Fit Center 7696 is at 6.370910 -3.795497 -0.667563 ESP Fit Center 7697 is at 6.724545 -3.562065 -0.667563 ESP Fit Center 7698 is at 7.030816 -3.269239 -0.667563 ESP Fit Center 7699 is at 7.279880 -2.926433 -0.667563 ESP Fit Center 7700 is at 7.463730 -2.544664 -0.667563 ESP Fit Center 7701 is at 7.576458 -2.136202 -0.667563 ESP Fit Center 7702 is at 7.506165 -1.714176 -1.071656 ESP Fit Center 7703 is at 7.465409 -1.287365 -1.071656 ESP Fit Center 7704 is at 7.344616 -0.875980 -1.071656 ESP Fit Center 7705 is at 7.148150 -0.494889 -1.071656 ESP Fit Center 7706 is at 6.883113 -0.157867 -1.071656 ESP Fit Center 7707 is at 6.559083 0.122907 -1.071656 ESP Fit Center 7708 is at 6.187773 0.337283 -1.071656 ESP Fit Center 7709 is at 6.559083 -3.551258 -1.071656 ESP Fit Center 7710 is at 6.883113 -3.270485 -1.071656 ESP Fit Center 7711 is at 7.148150 -2.933463 -1.071656 ESP Fit Center 7712 is at 7.344616 -2.552372 -1.071656 ESP Fit Center 7713 is at 7.465409 -2.140987 -1.071656 ESP Fit Center 7714 is at 7.329364 -1.714176 -1.450807 ESP Fit Center 7715 is at 7.286817 -1.295785 -1.450807 ESP Fit Center 7716 is at 7.160921 -0.894523 -1.450807 ESP Fit Center 7717 is at 6.956827 -0.526817 -1.450807 ESP Fit Center 7718 is at 6.682894 -0.207722 -1.450807 ESP Fit Center 7719 is at 6.350334 0.049698 -1.450807 ESP Fit Center 7720 is at 6.350334 -3.478050 -1.450807 ESP Fit Center 7721 is at 6.682894 -3.220629 -1.450807 ESP Fit Center 7722 is at 6.956827 -2.901535 -1.450807 ESP Fit Center 7723 is at 7.160921 -2.533829 -1.450807 ESP Fit Center 7724 is at 7.286817 -2.132567 -1.450807 ESP Fit Center 7725 is at 7.089409 -1.714176 -1.793498 ESP Fit Center 7726 is at 7.039852 -1.290187 -1.793498 ESP Fit Center 7727 is at 6.893852 -0.889056 -1.793498 ESP Fit Center 7728 is at 6.659281 -0.532407 -1.793498 ESP Fit Center 7729 is at 6.348783 -0.239467 -1.793498 ESP Fit Center 7730 is at 6.348783 -3.188885 -1.793498 ESP Fit Center 7731 is at 6.659281 -2.895945 -1.793498 ESP Fit Center 7732 is at 6.893852 -2.539296 -1.793498 ESP Fit Center 7733 is at 7.039852 -2.138165 -1.793498 ESP Fit Center 7734 is at 6.793593 -1.714176 -2.089314 ESP Fit Center 7735 is at 6.736386 -1.297963 -2.089314 ESP Fit Center 7736 is at 6.569007 -0.912619 -2.089314 ESP Fit Center 7737 is at 6.303871 -0.586722 -2.089314 ESP Fit Center 7738 is at 6.303871 -2.841629 -2.089314 ESP Fit Center 7739 is at 6.569007 -2.515733 -2.089314 ESP Fit Center 7740 is at 6.736386 -2.130389 -2.089314 ESP Fit Center 7741 is at 6.450903 -1.714176 -2.329268 ESP Fit Center 7742 is at 6.378534 -1.303752 -2.329268 ESP Fit Center 7743 is at 6.378534 -2.124600 -2.329268 ESP Fit Center 7744 is at 4.244704 -2.562245 2.741258 ESP Fit Center 7745 is at 3.619570 -2.923166 2.741258 ESP Fit Center 7746 is at 4.036326 -2.923166 2.741258 ESP Fit Center 7747 is at 4.648796 -2.562245 2.632982 ESP Fit Center 7748 is at 3.417524 -3.273121 2.632982 ESP Fit Center 7749 is at 3.827948 -3.383093 2.632982 ESP Fit Center 7750 is at 4.238372 -3.273121 2.632982 ESP Fit Center 7751 is at 4.538823 -2.972669 2.632982 ESP Fit Center 7752 is at 3.227948 -3.601476 2.456180 ESP Fit Center 7753 is at 3.619570 -3.744014 2.456180 ESP Fit Center 7754 is at 4.036326 -3.744014 2.456180 ESP Fit Center 7755 is at 4.427948 -3.601476 2.456180 ESP Fit Center 7756 is at 4.747201 -3.333590 2.456180 ESP Fit Center 7757 is at 4.955579 -2.972669 2.456180 ESP Fit Center 7758 is at 2.938309 -3.822577 2.216226 ESP Fit Center 7759 is at 3.311332 -4.015862 2.216226 ESP Fit Center 7760 is at 3.722671 -4.101339 2.216226 ESP Fit Center 7761 is at 4.141817 -4.072669 2.216226 ESP Fit Center 7762 is at 4.537686 -3.931977 2.216226 ESP Fit Center 7763 is at 4.880916 -3.689699 2.216226 ESP Fit Center 7764 is at 5.146052 -3.363802 2.216226 ESP Fit Center 7765 is at 2.908695 -4.154439 1.920410 ESP Fit Center 7766 is at 3.300658 -4.323515 1.920410 ESP Fit Center 7767 is at 3.721048 -4.397641 1.920410 ESP Fit Center 7768 is at 4.147201 -4.372821 1.920410 ESP Fit Center 7769 is at 4.556143 -4.250392 1.920410 ESP Fit Center 7770 is at 4.925828 -4.036954 1.920410 ESP Fit Center 7771 is at 5.236326 -3.744014 1.920410 ESP Fit Center 7772 is at 5.470897 -3.387365 1.920410 ESP Fit Center 7773 is at 2.555709 -4.205842 1.577719 ESP Fit Center 7774 is at 2.912606 -4.428297 1.577719 ESP Fit Center 7775 is at 3.306976 -4.574356 1.577719 ESP Fit Center 7776 is at 3.722676 -4.638038 1.577719 ESP Fit Center 7777 is at 4.142685 -4.616738 1.577719 ESP Fit Center 7778 is at 4.549808 -4.511326 1.577719 ESP Fit Center 7779 is at 4.927379 -4.326119 1.577719 ESP Fit Center 7780 is at 5.259939 -4.068699 1.577719 ESP Fit Center 7781 is at 5.533873 -3.749604 1.577719 ESP Fit Center 7782 is at 2.351065 -4.266659 1.198568 ESP Fit Center 7783 is at 2.700317 -4.515360 1.198568 ESP Fit Center 7784 is at 3.090324 -4.693470 1.198568 ESP Fit Center 7785 is at 3.506991 -4.794552 1.198568 ESP Fit Center 7786 is at 3.935258 -4.814953 1.198568 ESP Fit Center 7787 is at 4.359646 -4.753935 1.198568 ESP Fit Center 7788 is at 4.764818 -4.613704 1.198568 ESP Fit Center 7789 is at 5.136128 -4.399328 1.198568 ESP Fit Center 7790 is at 5.460158 -4.118554 1.198568 ESP Fit Center 7791 is at 2.194595 -4.270599 0.794475 ESP Fit Center 7792 is at 2.525882 -4.534791 0.794475 ESP Fit Center 7793 is at 2.899018 -4.735585 0.794475 ESP Fit Center 7794 is at 3.302011 -4.866525 0.794475 ESP Fit Center 7795 is at 3.721908 -4.923404 0.794475 ESP Fit Center 7796 is at 4.145213 -4.904393 0.794475 ESP Fit Center 7797 is at 4.558321 -4.810104 0.794475 ESP Fit Center 7798 is at 4.947955 -4.643567 0.794475 ESP Fit Center 7799 is at 5.301590 -4.410134 0.794475 ESP Fit Center 7800 is at 1.989441 -4.104935 0.377719 ESP Fit Center 7801 is at 2.285258 -4.400752 0.377719 ESP Fit Center 7802 is at 2.627948 -4.640706 0.377719 ESP Fit Center 7803 is at 3.007100 -4.817507 0.377719 ESP Fit Center 7804 is at 3.411192 -4.925784 0.377719 ESP Fit Center 7805 is at 3.827948 -4.962245 0.377719 ESP Fit Center 7806 is at 4.244704 -4.925784 0.377719 ESP Fit Center 7807 is at 4.648796 -4.817507 0.377719 ESP Fit Center 7808 is at 5.027948 -4.640706 0.377719 ESP Fit Center 7809 is at 1.915805 -3.951498 -0.039036 ESP Fit Center 7810 is at 2.194595 -4.270599 -0.039036 ESP Fit Center 7811 is at 2.525882 -4.534791 -0.039036 ESP Fit Center 7812 is at 2.899018 -4.735585 -0.039036 ESP Fit Center 7813 is at 3.302011 -4.866525 -0.039036 ESP Fit Center 7814 is at 3.721908 -4.923404 -0.039036 ESP Fit Center 7815 is at 4.145213 -4.904393 -0.039036 ESP Fit Center 7816 is at 4.558321 -4.810104 -0.039036 ESP Fit Center 7817 is at 2.055192 -3.956356 -0.443129 ESP Fit Center 7818 is at 2.351065 -4.266659 -0.443129 ESP Fit Center 7819 is at 2.700317 -4.515360 -0.443129 ESP Fit Center 7820 is at 3.090324 -4.693470 -0.443129 ESP Fit Center 7821 is at 3.506991 -4.794552 -0.443129 ESP Fit Center 7822 is at 3.935258 -4.814953 -0.443129 ESP Fit Center 7823 is at 1.383492 4.009208 -0.043567 ESP Fit Center 7824 is at 1.691494 4.210424 -0.420612 ESP Fit Center 7825 is at 1.283756 4.178334 -0.420612 ESP Fit Center 7826 is at 1.796053 4.331772 -0.820509 ESP Fit Center 7827 is at 1.378431 4.315764 -0.820509 ESP Fit Center 7828 is at 2.312810 4.326142 -1.234323 ESP Fit Center 7829 is at 1.900153 4.388340 -1.234323 ESP Fit Center 7830 is at 1.482835 4.388340 -1.234323 ESP Fit Center 7831 is at 1.070177 4.326142 -1.234323 ESP Fit Center 7832 is at 4.483664 1.603977 -1.652811 ESP Fit Center 7833 is at 3.087579 4.022068 -1.652811 ESP Fit Center 7834 is at 2.711588 4.203136 -1.652811 ESP Fit Center 7835 is at 2.312810 4.326142 -1.652811 ESP Fit Center 7836 is at 1.900153 4.388340 -1.652811 ESP Fit Center 7837 is at 1.482835 4.388340 -1.652811 ESP Fit Center 7838 is at 1.070177 4.326142 -1.652811 ESP Fit Center 7839 is at 4.421292 1.603977 -2.066626 ESP Fit Center 7840 is at 4.389300 2.020679 -2.066626 ESP Fit Center 7841 is at 4.294073 2.427614 -2.066626 ESP Fit Center 7842 is at 4.137845 2.815243 -2.066626 ESP Fit Center 7843 is at 3.924276 3.174481 -2.066626 ESP Fit Center 7844 is at 3.658372 3.496908 -2.066626 ESP Fit Center 7845 is at 3.346367 3.774966 -2.066626 ESP Fit Center 7846 is at 2.995572 4.002138 -2.066626 ESP Fit Center 7847 is at 2.614212 4.173100 -2.066626 ESP Fit Center 7848 is at 2.211223 4.283843 -2.066626 ESP Fit Center 7849 is at 1.796053 4.331772 -2.066626 ESP Fit Center 7850 is at 1.378431 4.315764 -2.066626 ESP Fit Center 7851 is at 0.968148 4.236195 -2.066626 ESP Fit Center 7852 is at 0.574819 4.094928 -2.066626 ESP Fit Center 7853 is at 4.297940 1.603977 -2.466522 ESP Fit Center 7854 is at 4.265851 2.011715 -2.466522 ESP Fit Center 7855 is at 4.170372 2.409414 -2.466522 ESP Fit Center 7856 is at 4.013855 2.787279 -2.466522 ESP Fit Center 7857 is at 3.800153 3.136008 -2.466522 ESP Fit Center 7858 is at 3.534530 3.447013 -2.466522 ESP Fit Center 7859 is at 3.223525 3.712637 -2.466522 ESP Fit Center 7860 is at 2.874796 3.926338 -2.466522 ESP Fit Center 7861 is at 2.496930 4.082855 -2.466522 ESP Fit Center 7862 is at 2.099232 4.178334 -2.466522 ESP Fit Center 7863 is at 1.691494 4.210424 -2.466522 ESP Fit Center 7864 is at 1.283756 4.178334 -2.466522 ESP Fit Center 7865 is at 0.886058 4.082855 -2.466522 ESP Fit Center 7866 is at 0.508192 3.926338 -2.466522 ESP Fit Center 7867 is at 4.116365 1.603977 -2.843567 ESP Fit Center 7868 is at 4.081485 2.013782 -2.843567 ESP Fit Center 7869 is at 3.977850 2.411798 -2.843567 ESP Fit Center 7870 is at 3.808441 2.786575 -2.843567 ESP Fit Center 7871 is at 3.578130 3.127330 -2.843567 ESP Fit Center 7872 is at 3.293545 3.424261 -2.843567 ESP Fit Center 7873 is at 2.962871 3.668826 -2.843567 ESP Fit Center 7874 is at 2.595623 3.853989 -2.843567 ESP Fit Center 7875 is at 2.202364 3.974423 -2.843567 ESP Fit Center 7876 is at 1.794408 4.026664 -2.843567 ESP Fit Center 7877 is at 1.383492 4.009208 -2.843567 ESP Fit Center 7878 is at 0.981436 3.922558 -2.843567 ESP Fit Center 7879 is at 0.599808 3.769207 -2.843567 ESP Fit Center 7880 is at 0.249585 3.553567 -2.843567 ESP Fit Center 7881 is at -0.059157 3.281840 -2.843567 ESP Fit Center 7882 is at 3.880622 1.603977 -3.189339 ESP Fit Center 7883 is at 3.841062 2.018273 -3.189339 ESP Fit Center 7884 is at 3.723810 2.417594 -3.189339 ESP Fit Center 7885 is at 3.533106 2.787509 -3.189339 ESP Fit Center 7886 is at 3.275840 3.114649 -3.189339 ESP Fit Center 7887 is at 2.961313 3.387188 -3.189339 ESP Fit Center 7888 is at 2.600890 3.595278 -3.189339 ESP Fit Center 7889 is at 2.207600 3.731397 -3.189339 ESP Fit Center 7890 is at 1.795657 3.790626 -3.189339 ESP Fit Center 7891 is at 1.379948 3.770823 -3.189339 ESP Fit Center 7892 is at 0.975500 3.672705 -3.189339 ESP Fit Center 7893 is at 0.596930 3.499818 -3.189339 ESP Fit Center 7894 is at 0.257920 3.258410 -3.189339 ESP Fit Center 7895 is at -0.029277 2.957207 -3.189339 ESP Fit Center 7896 is at 3.595977 1.603977 -3.496112 ESP Fit Center 7897 is at 3.551452 2.013385 -3.496112 ESP Fit Center 7898 is at 3.419956 2.403649 -3.496112 ESP Fit Center 7899 is at 3.207640 2.756522 -3.496112 ESP Fit Center 7900 is at 2.924430 3.055502 -3.496112 ESP Fit Center 7901 is at 2.583570 3.286612 -3.496112 ESP Fit Center 7902 is at 2.200997 3.439042 -3.496112 ESP Fit Center 7903 is at 1.794600 3.505668 -3.496112 ESP Fit Center 7904 is at 1.383383 3.483372 -3.496112 ESP Fit Center 7905 is at 0.986572 3.373198 -3.496112 ESP Fit Center 7906 is at 0.622722 3.180297 -3.496112 ESP Fit Center 7907 is at 0.308847 2.913690 -3.496112 ESP Fit Center 7908 is at 0.059623 2.585841 -3.496112 ESP Fit Center 7909 is at 3.268790 1.603977 -3.757036 ESP Fit Center 7910 is at 3.215045 2.012212 -3.757036 ESP Fit Center 7911 is at 3.057472 2.392625 -3.757036 ESP Fit Center 7912 is at 2.806811 2.719294 -3.757036 ESP Fit Center 7913 is at 2.480142 2.969956 -3.757036 ESP Fit Center 7914 is at 2.099728 3.127528 -3.757036 ESP Fit Center 7915 is at 1.691494 3.181273 -3.757036 ESP Fit Center 7916 is at 1.283259 3.127528 -3.757036 ESP Fit Center 7917 is at 0.902846 2.969956 -3.757036 ESP Fit Center 7918 is at 0.576177 2.719294 -3.757036 ESP Fit Center 7919 is at 0.325515 2.392625 -3.757036 ESP Fit Center 7920 is at 2.906368 1.603977 -3.966280 ESP Fit Center 7921 is at 2.833102 2.019489 -3.966280 ESP Fit Center 7922 is at 2.622142 2.384884 -3.966280 ESP Fit Center 7923 is at 2.298931 2.656089 -3.966280 ESP Fit Center 7924 is at 1.902455 2.800395 -3.966280 ESP Fit Center 7925 is at 1.480533 2.800395 -3.966280 ESP Fit Center 7926 is at 1.084057 2.656089 -3.966280 ESP Fit Center 7927 is at 0.760846 2.384884 -3.966280 ESP Fit Center 7928 is at 2.516808 1.603977 -4.119171 ESP Fit Center 7929 is at 2.406237 2.016635 -4.119171 ESP Fit Center 7930 is at 2.104151 2.318721 -4.119171 ESP Fit Center 7931 is at 1.691494 2.429292 -4.119171 ESP Fit Center 7932 is at 1.278837 2.318721 -4.119171 ESP Fit Center 7933 is at 0.976750 2.016635 -4.119171 ESP Fit Center 7934 is at 2.108812 1.603977 -4.212293 ESP Fit Center 7935 is at 1.900153 1.965386 -4.212293 ESP Fit Center 7936 is at 1.482835 1.965386 -4.212293 ESP Fit Center 7937 is at -2.338838 0.547310 -3.025211 ESP Fit Center 7938 is at -2.000906 0.554862 -3.261336 ESP Fit Center 7939 is at -1.372251 1.110874 -3.449711 ESP Fit Center 7940 is at -1.579796 0.751396 -3.449711 ESP Fit Center 7941 is at -1.651876 0.342612 -3.449711 ESP Fit Center 7942 is at -1.157625 0.747307 -3.586829 ESP Fit Center 7943 is at -1.266063 0.342612 -3.586829 ESP Fit Center 7944 is at 1.083797 -3.405725 -0.955872 ESP Fit Center 7945 is at 1.491535 -3.437814 -0.955872 ESP Fit Center 7946 is at 1.178472 -3.543155 -1.355768 ESP Fit Center 7947 is at 1.596094 -3.559163 -1.355768 ESP Fit Center 7948 is at 0.870219 -3.553533 -1.769582 ESP Fit Center 7949 is at 1.282876 -3.615731 -1.769582 ESP Fit Center 7950 is at 1.700194 -3.615731 -1.769582 ESP Fit Center 7951 is at 2.112851 -3.553533 -1.769582 ESP Fit Center 7952 is at 0.471440 -3.430526 -2.188071 ESP Fit Center 7953 is at 0.870219 -3.553533 -2.188071 ESP Fit Center 7954 is at 1.282876 -3.615731 -2.188071 ESP Fit Center 7955 is at 1.700194 -3.615731 -2.188071 ESP Fit Center 7956 is at 2.112851 -3.553533 -2.188071 ESP Fit Center 7957 is at 0.374860 -3.322318 -2.601885 ESP Fit Center 7958 is at 0.768189 -3.463585 -2.601885 ESP Fit Center 7959 is at 1.178472 -3.543155 -2.601885 ESP Fit Center 7960 is at 1.596094 -3.559163 -2.601885 ESP Fit Center 7961 is at 2.011264 -3.511233 -2.601885 ESP Fit Center 7962 is at 2.414253 -3.400490 -2.601885 ESP Fit Center 7963 is at -0.040496 -2.940027 -3.001781 ESP Fit Center 7964 is at 0.308233 -3.153729 -3.001781 ESP Fit Center 7965 is at 0.686099 -3.310246 -3.001781 ESP Fit Center 7966 is at 1.083797 -3.405725 -3.001781 ESP Fit Center 7967 is at 1.491535 -3.437814 -3.001781 ESP Fit Center 7968 is at 1.899273 -3.405725 -3.001781 ESP Fit Center 7969 is at 2.296971 -3.310246 -3.001781 ESP Fit Center 7970 is at 2.674837 -3.153729 -3.001781 ESP Fit Center 7971 is at 3.881526 -0.421563 -3.378826 ESP Fit Center 7972 is at -0.517494 -2.189234 -3.378826 ESP Fit Center 7973 is at -0.259116 -2.509230 -3.378826 ESP Fit Center 7974 is at 0.049626 -2.780957 -3.378826 ESP Fit Center 7975 is at 0.399849 -2.996598 -3.378826 ESP Fit Center 7976 is at 0.781477 -3.149949 -3.378826 ESP Fit Center 7977 is at 1.183533 -3.236598 -3.378826 ESP Fit Center 7978 is at 1.594449 -3.254054 -3.378826 ESP Fit Center 7979 is at 2.002405 -3.201813 -3.378826 ESP Fit Center 7980 is at 2.395664 -3.081379 -3.378826 ESP Fit Center 7981 is at 2.762913 -2.896216 -3.378826 ESP Fit Center 7982 is at 3.680663 -0.831368 -3.724598 ESP Fit Center 7983 is at 3.641103 -0.417073 -3.724598 ESP Fit Center 7984 is at -0.687681 -1.039458 -3.724598 ESP Fit Center 7985 is at -0.608918 -1.448116 -3.724598 ESP Fit Center 7986 is at -0.454240 -1.834484 -3.724598 ESP Fit Center 7987 is at -0.229236 -2.184597 -3.724598 ESP Fit Center 7988 is at 0.057961 -2.485800 -3.724598 ESP Fit Center 7989 is at 0.396971 -2.727208 -3.724598 ESP Fit Center 7990 is at 0.775541 -2.900096 -3.724598 ESP Fit Center 7991 is at 1.179990 -2.998214 -3.724598 ESP Fit Center 7992 is at 1.595698 -3.018016 -3.724598 ESP Fit Center 7993 is at 2.007641 -2.958788 -3.724598 ESP Fit Center 7994 is at 2.400932 -2.822669 -3.724598 ESP Fit Center 7995 is at 2.761354 -2.614579 -3.724598 ESP Fit Center 7996 is at 3.075881 -2.342039 -3.724598 ESP Fit Center 7997 is at 3.333147 -2.014900 -3.724598 ESP Fit Center 7998 is at 3.523851 -1.644984 -3.724598 ESP Fit Center 7999 is at 3.641103 -1.245663 -3.724598 ESP Fit Center 8000 is at 3.396019 -0.831368 -4.031372 ESP Fit Center 8001 is at 3.351493 -0.421960 -4.031372 ESP Fit Center 8002 is at 3.219997 -0.031696 -4.031372 ESP Fit Center 8003 is at -0.401785 -1.037279 -4.031372 ESP Fit Center 8004 is at -0.313255 -1.439472 -4.031372 ESP Fit Center 8005 is at -0.140336 -1.813232 -4.031372 ESP Fit Center 8006 is at 0.108888 -2.141080 -4.031372 ESP Fit Center 8007 is at 0.422763 -2.407688 -4.031372 ESP Fit Center 8008 is at 0.786613 -2.600589 -4.031372 ESP Fit Center 8009 is at 1.183424 -2.710763 -4.031372 ESP Fit Center 8010 is at 1.594642 -2.733058 -4.031372 ESP Fit Center 8011 is at 2.001038 -2.666433 -4.031372 ESP Fit Center 8012 is at 2.383611 -2.514002 -4.031372 ESP Fit Center 8013 is at 2.724472 -2.282893 -4.031372 ESP Fit Center 8014 is at 3.007681 -1.983912 -4.031372 ESP Fit Center 8015 is at 3.219997 -1.631040 -4.031372 ESP Fit Center 8016 is at 3.351493 -1.240775 -4.031372 ESP Fit Center 8017 is at 3.068831 -0.831368 -4.292295 ESP Fit Center 8018 is at 3.015086 -0.423133 -4.292295 ESP Fit Center 8019 is at 2.857513 -0.042720 -4.292295 ESP Fit Center 8020 is at -0.032016 -0.423133 -4.292295 ESP Fit Center 8021 is at -0.085761 -0.831368 -4.292295 ESP Fit Center 8022 is at -0.032016 -1.239602 -4.292295 ESP Fit Center 8023 is at 0.125556 -1.620016 -4.292295 ESP Fit Center 8024 is at 0.376218 -1.946685 -4.292295 ESP Fit Center 8025 is at 0.702887 -2.197346 -4.292295 ESP Fit Center 8026 is at 1.083301 -2.354919 -4.292295 ESP Fit Center 8027 is at 1.491535 -2.408664 -4.292295 ESP Fit Center 8028 is at 1.899769 -2.354919 -4.292295 ESP Fit Center 8029 is at 2.280183 -2.197346 -4.292295 ESP Fit Center 8030 is at 2.606852 -1.946685 -4.292295 ESP Fit Center 8031 is at 2.857513 -1.620016 -4.292295 ESP Fit Center 8032 is at 3.015086 -1.239602 -4.292295 ESP Fit Center 8033 is at 2.706409 -0.831368 -4.501539 ESP Fit Center 8034 is at 2.633144 -0.415856 -4.501539 ESP Fit Center 8035 is at 2.422183 -0.050461 -4.501539 ESP Fit Center 8036 is at 2.098972 0.220744 -4.501539 ESP Fit Center 8037 is at 0.349926 -0.415856 -4.501539 ESP Fit Center 8038 is at 0.276660 -0.831368 -4.501539 ESP Fit Center 8039 is at 0.349926 -1.246879 -4.501539 ESP Fit Center 8040 is at 0.560887 -1.612274 -4.501539 ESP Fit Center 8041 is at 0.884098 -1.883480 -4.501539 ESP Fit Center 8042 is at 1.280574 -2.027786 -4.501539 ESP Fit Center 8043 is at 1.702496 -2.027786 -4.501539 ESP Fit Center 8044 is at 2.098972 -1.883480 -4.501539 ESP Fit Center 8045 is at 2.422183 -1.612274 -4.501539 ESP Fit Center 8046 is at 2.633144 -1.246879 -4.501539 ESP Fit Center 8047 is at 2.316849 -0.831368 -4.654430 ESP Fit Center 8048 is at 2.206278 -0.418710 -4.654430 ESP Fit Center 8049 is at 1.904192 -0.116624 -4.654430 ESP Fit Center 8050 is at 1.491535 -0.006053 -4.654430 ESP Fit Center 8051 is at 1.078878 -0.116624 -4.654430 ESP Fit Center 8052 is at 0.776792 -0.418710 -4.654430 ESP Fit Center 8053 is at 0.666220 -0.831368 -4.654430 ESP Fit Center 8054 is at 0.776792 -1.244025 -4.654430 ESP Fit Center 8055 is at 1.078878 -1.546111 -4.654430 ESP Fit Center 8056 is at 1.491535 -1.656682 -4.654430 ESP Fit Center 8057 is at 1.904192 -1.546111 -4.654430 ESP Fit Center 8058 is at 2.206278 -1.244025 -4.654430 ESP Fit Center 8059 is at 1.908853 -0.831368 -4.747553 ESP Fit Center 8060 is at 1.700194 -0.469959 -4.747553 ESP Fit Center 8061 is at 1.282876 -0.469959 -4.747553 ESP Fit Center 8062 is at 1.074217 -0.831368 -4.747553 ESP Fit Center 8063 is at 1.282876 -1.192776 -4.747553 ESP Fit Center 8064 is at 1.700194 -1.192776 -4.747553 ESP Fit Center 8065 is at 1.491535 -0.831368 -4.778826 ESP Fit Center 8066 is at -1.055613 1.560546 2.545630 ESP Fit Center 8067 is at -0.647113 1.560546 2.517687 ESP Fit Center 8068 is at -0.851363 1.914318 2.517687 ESP Fit Center 8069 is at -0.851363 1.206775 2.517687 ESP Fit Center 8070 is at -0.354661 1.965242 2.434381 ESP Fit Center 8071 is at -0.650918 2.261499 2.434381 ESP Fit Center 8072 is at -1.055613 2.369937 2.434381 ESP Fit Center 8073 is at -1.055613 0.751156 2.434381 ESP Fit Center 8074 is at -0.140035 2.328808 2.297263 ESP Fit Center 8075 is at -0.458012 2.595623 2.297263 ESP Fit Center 8076 is at -0.848069 2.737592 2.297263 ESP Fit Center 8077 is at 0.008318 2.699738 2.108888 ESP Fit Center 8078 is at -0.338486 2.944539 2.108888 ESP Fit Center 8079 is at -0.738476 3.086696 2.108888 ESP Fit Center 8080 is at 0.170060 3.003520 1.872763 ESP Fit Center 8081 is at -0.168793 3.233268 1.872763 ESP Fit Center 8082 is at -0.549112 3.384801 1.872763 ESP Fit Center 8083 is at -0.953114 3.451034 1.872763 ESP Fit Center 8084 is at -0.144813 3.554922 1.593289 ESP Fit Center 8085 is at -0.538710 3.691251 1.593289 ESP Fit Center 8086 is at -0.951290 3.750571 1.593289 ESP Fit Center 8087 is at -0.951594 4.009248 1.275670 ESP Fit Center 8088 is at -1.878728 4.093834 -1.834566 ESP Fit Center 8089 is at -1.366923 3.991605 -2.184411 ESP Fit Center 8090 is at -1.773296 3.904025 -2.184411 ESP Fit Center 8091 is at -0.951290 3.750571 -2.502030 ESP Fit Center 8092 is at -1.367640 3.730738 -2.502030 ESP Fit Center 8093 is at -1.772713 3.632468 -2.502030 ESP Fit Center 8094 is at -2.151867 3.459314 -2.502030 ESP Fit Center 8095 is at -0.168793 3.233268 -2.781504 ESP Fit Center 8096 is at -0.549112 3.384801 -2.781504 ESP Fit Center 8097 is at -0.953114 3.451034 -2.781504 ESP Fit Center 8098 is at -1.361909 3.428869 -2.781504 ESP Fit Center 8099 is at -1.756383 3.319344 -2.781504 ESP Fit Center 8100 is at -2.118089 3.127580 -2.781504 ESP Fit Center 8101 is at -0.338486 2.944539 -3.017629 ESP Fit Center 8102 is at -0.738476 3.086696 -3.017629 ESP Fit Center 8103 is at -1.161986 3.115664 -3.017629 ESP Fit Center 8104 is at -1.577608 3.029297 -3.017629 ESP Fit Center 8105 is at -1.954515 2.834000 -3.017629 ESP Fit Center 8106 is at -2.264755 2.544256 -3.017629 ESP Fit Center 8107 is at -0.458012 2.595623 -3.206004 ESP Fit Center 8108 is at -0.848069 2.737592 -3.206004 ESP Fit Center 8109 is at -1.263158 2.737592 -3.206004 ESP Fit Center 8110 is at -1.653215 2.595623 -3.206004 ESP Fit Center 8111 is at -1.971192 2.328808 -3.206004 ESP Fit Center 8112 is at -2.178737 1.969330 -3.206004 ESP Fit Center 8113 is at -2.250817 1.560546 -3.206004 ESP Fit Center 8114 is at -2.178737 1.151763 -3.206004 ESP Fit Center 8115 is at -0.650918 2.261499 -3.343122 ESP Fit Center 8116 is at -1.055613 2.369937 -3.343122 ESP Fit Center 8117 is at -1.460309 2.261499 -3.343122 ESP Fit Center 8118 is at -1.756566 1.965242 -3.343122 ESP Fit Center 8119 is at -1.865004 1.560546 -3.343122 ESP Fit Center 8120 is at -1.756566 1.155851 -3.343122 ESP Fit Center 8121 is at -0.851363 1.914318 -3.426428 ESP Fit Center 8122 is at -1.259863 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Center 8557 is at -0.377687 4.718544 0.295002 ESP Fit Center 8558 is at -0.805954 4.698143 0.295002 ESP Fit Center 8559 is at -1.222621 4.597061 0.295002 ESP Fit Center 8560 is at 0.988645 4.313725 -0.109091 ESP Fit Center 8561 is at 0.635010 4.547157 -0.109091 ESP Fit Center 8562 is at 0.245377 4.713695 -0.109091 ESP Fit Center 8563 is at -0.167731 4.807984 -0.109091 ESP Fit Center 8564 is at -0.591037 4.826995 -0.109091 ESP Fit Center 8565 is at -1.010934 4.770116 -0.109091 ESP Fit Center 8566 is at -1.413927 4.639175 -0.109091 ESP Fit Center 8567 is at 1.057693 4.304343 -0.525846 ESP Fit Center 8568 is at 0.715003 4.544297 -0.525846 ESP Fit Center 8569 is at 0.335852 4.721098 -0.525846 ESP Fit Center 8570 is at -0.068241 4.829374 -0.525846 ESP Fit Center 8571 is at -0.484997 4.865836 -0.525846 ESP Fit Center 8572 is at -0.901752 4.829374 -0.525846 ESP Fit Center 8573 is at -1.305845 4.721098 -0.525846 ESP Fit Center 8574 is at 0.988645 4.313725 -0.942602 ESP Fit Center 8575 is at 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ESP Fit Center 8612 is at -5.765916 0.531680 3.212839 ESP Fit Center 8613 is at -5.375859 0.389711 3.212839 ESP Fit Center 8614 is at -4.960769 0.389711 3.212839 ESP Fit Center 8615 is at -4.570713 0.531680 3.212839 ESP Fit Center 8616 is at -6.598019 2.187765 3.024464 ESP Fit Center 8617 is at -6.712548 1.779006 3.024464 ESP Fit Center 8618 is at -6.712548 1.354506 3.024464 ESP Fit Center 8619 is at -6.598019 0.945748 3.024464 ESP Fit Center 8620 is at -6.377456 0.583047 3.024464 ESP Fit Center 8621 is at -6.067216 0.293303 3.024464 ESP Fit Center 8622 is at -5.690308 0.098005 3.024464 ESP Fit Center 8623 is at -5.274687 0.011638 3.024464 ESP Fit Center 8624 is at -4.851177 0.040607 3.024464 ESP Fit Center 8625 is at -6.542815 2.868753 2.788339 ESP Fit Center 8626 is at -6.790571 2.542836 2.788339 ESP Fit Center 8627 is at -6.962472 2.171278 2.788339 ESP Fit Center 8628 is at -6.230789 -0.000277 2.788339 ESP Fit Center 8629 is at -5.869083 -0.192042 2.788339 ESP Fit Center 8630 is at 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is at -4.648584 4.514292 0.256478 ESP Fit Center 8668 is at -5.063860 4.557939 0.256478 ESP Fit Center 8669 is at -5.481169 4.543367 0.256478 ESP Fit Center 8670 is at -5.892388 4.470858 0.256478 ESP Fit Center 8671 is at -6.289514 4.341824 0.256478 ESP Fit Center 8672 is at -6.664817 4.158776 0.256478 ESP Fit Center 8673 is at -7.010993 3.925278 0.256478 ESP Fit Center 8674 is at -7.321303 3.645873 0.256478 ESP Fit Center 8675 is at -7.589707 3.326001 0.256478 ESP Fit Center 8676 is at -6.636940 4.110492 -0.149163 ESP Fit Center 8677 is at -6.976667 3.881343 -0.149163 ESP Fit Center 8678 is at -7.281197 3.607143 -0.149163 ESP Fit Center 8679 is at -7.544601 3.293230 -0.149163 ESP Fit Center 8680 is at -7.761754 2.945713 -0.149163 ESP Fit Center 8681 is at -7.130311 3.601767 -0.543433 ESP Fit Center 8682 is at -7.405703 3.294412 -0.543433 ESP Fit Center 8683 is at -7.633408 2.950234 -0.543433 ESP Fit Center 8684 is at -7.808575 2.576571 -0.543433 ESP Fit Center 8685 is at -7.323257 3.132414 -0.918990 ESP Fit Center 8686 is at -7.541649 2.776031 -0.918990 ESP Fit Center 8687 is at -7.701601 2.389871 -0.918990 ESP Fit Center 8688 is at -7.401653 2.576289 -1.268835 ESP Fit Center 8689 is at -7.540140 2.184332 -1.268835 ESP Fit Center 8690 is at -7.610394 1.774608 -1.268835 ESP Fit Center 8691 is at -7.610394 1.358905 -1.268835 ESP Fit Center 8692 is at -7.198917 0.194309 -1.268835 ESP Fit Center 8693 is at -6.937763 -0.129123 -1.268835 ESP Fit Center 8694 is at -7.272010 2.184457 -1.586454 ESP Fit Center 8695 is at -7.350894 1.775168 -1.586454 ESP Fit Center 8696 is at -7.350894 1.358345 -1.586454 ESP Fit Center 8697 is at -7.272010 0.949056 -1.586454 ESP Fit Center 8698 is at -7.117093 0.562091 -1.586454 ESP Fit Center 8699 is at -6.891742 0.211438 -1.586454 ESP Fit Center 8700 is at -6.604102 -0.090230 -1.586454 ESP Fit Center 8701 is at -7.050480 1.771454 -1.865928 ESP Fit Center 8702 is at -7.050480 1.362059 -1.865928 ESP Fit Center 8703 is at -6.962472 0.962234 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ESP Fit Center 8722 is at -2.736613 -2.104730 3.900680 ESP Fit Center 8723 is at -3.032870 -1.808472 3.900680 ESP Fit Center 8724 is at -4.138518 -2.914120 3.900680 ESP Fit Center 8725 is at -3.842261 -3.210377 3.900680 ESP Fit Center 8726 is at -3.437566 -3.318815 3.900680 ESP Fit Center 8727 is at -3.032870 -3.210377 3.900680 ESP Fit Center 8728 is at -2.736613 -2.914120 3.900680 ESP Fit Center 8729 is at -2.521987 -1.741163 3.763562 ESP Fit Center 8730 is at -2.839964 -1.474348 3.763562 ESP Fit Center 8731 is at -4.560689 -2.918208 3.763562 ESP Fit Center 8732 is at -4.353144 -3.277687 3.763562 ESP Fit Center 8733 is at -4.035167 -3.544501 3.763562 ESP Fit Center 8734 is at -3.645110 -3.686470 3.763562 ESP Fit Center 8735 is at -3.230021 -3.686470 3.763562 ESP Fit Center 8736 is at -2.839964 -3.544501 3.763562 ESP Fit Center 8737 is at -2.373635 -1.370233 3.575186 ESP Fit Center 8738 is at -2.720438 -1.125432 3.575186 ESP Fit Center 8739 is at -4.867270 -3.130433 3.575186 ESP Fit 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Fit Center 8886 is at -8.461685 0.632858 1.079409 ESP Fit Center 8887 is at -8.312797 0.236146 1.079409 ESP Fit Center 8888 is at -8.095465 -0.127607 1.079409 ESP Fit Center 8889 is at -7.816675 -0.446707 1.079409 ESP Fit Center 8890 is at -7.485388 -0.710900 1.079409 ESP Fit Center 8891 is at -7.112252 -0.911693 1.079409 ESP Fit Center 8892 is at -6.709259 -1.042633 1.079409 ESP Fit Center 8893 is at -8.021829 2.804337 0.662653 ESP Fit Center 8894 is at -8.261783 2.461647 0.662653 ESP Fit Center 8895 is at -8.438584 2.082495 0.662653 ESP Fit Center 8896 is at -8.546861 1.678402 0.662653 ESP Fit Center 8897 is at -8.583322 1.261647 0.662653 ESP Fit Center 8898 is at -8.546861 0.844891 0.662653 ESP Fit Center 8899 is at -8.438584 0.440798 0.662653 ESP Fit Center 8900 is at -8.261783 0.061647 0.662653 ESP Fit Center 8901 is at -8.021829 -0.281044 0.662653 ESP Fit Center 8902 is at -7.726012 -0.576860 0.662653 ESP Fit Center 8903 is at -7.383322 -0.816814 0.662653 ESP Fit Center 8904 is 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ESP Fit Center 8977 is at -4.051981 3.960640 -1.620685 ESP Fit Center 8978 is at -4.429551 4.145847 -1.620685 ESP Fit Center 8979 is at -4.836675 4.251259 -1.620685 ESP Fit Center 8980 is at -5.256684 4.272559 -1.620685 ESP Fit Center 8981 is at -5.672383 4.208876 -1.620685 ESP Fit Center 8982 is at -6.066754 4.062818 -1.620685 ESP Fit Center 8983 is at -6.423650 3.840362 -1.620685 ESP Fit Center 8984 is at -6.728461 3.550618 -1.620685 ESP Fit Center 8985 is at -6.968707 3.205447 -1.620685 ESP Fit Center 8986 is at -7.134553 2.818981 -1.620685 ESP Fit Center 8987 is at -7.219209 2.407040 -1.620685 ESP Fit Center 8988 is at -4.053532 3.671475 -1.963376 ESP Fit Center 8989 is at -4.423216 3.884912 -1.963376 ESP Fit Center 8990 is at -4.832158 4.007342 -1.963376 ESP Fit Center 8991 is at -5.258311 4.032162 -1.963376 ESP Fit Center 8992 is at -5.678701 3.958036 -1.963376 ESP Fit Center 8993 is at -6.070665 3.788959 -1.963376 ESP Fit Center 8994 is at -6.413071 3.534047 -1.963376 ESP Fit Center 8995 is at -6.687461 3.207042 -1.963376 ESP Fit Center 8996 is at -6.879043 2.825572 -1.963376 ESP Fit Center 8997 is at -6.977487 2.410204 -1.963376 ESP Fit Center 8998 is at -6.977487 1.983328 -1.963376 ESP Fit Center 8999 is at -4.098443 3.324219 -2.259192 ESP Fit Center 9000 is at -4.441674 3.566498 -2.259192 ESP Fit Center 9001 is at -4.837542 3.707189 -2.259192 ESP Fit Center 9002 is at -5.256688 3.735860 -2.259192 ESP Fit Center 9003 is at -5.668027 3.650383 -2.259192 ESP Fit Center 9004 is at -6.041051 3.457097 -2.259192 ESP Fit Center 9005 is at -6.348094 3.170339 -2.259192 ESP Fit Center 9006 is at -6.566385 2.811375 -2.259192 ESP Fit Center 9007 is at -6.679733 2.406829 -2.259192 ESP Fit Center 9008 is at -6.679733 1.986703 -2.259192 ESP Fit Center 9009 is at -6.566385 1.582156 -2.259192 ESP Fit Center 9010 is at -4.023780 2.607190 -2.499146 ESP Fit Center 9011 is at -4.232158 2.968111 -2.499146 ESP Fit Center 9012 is at -4.551412 3.235996 -2.499146 ESP Fit Center 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ESP Fit Center 9305 is at -5.720449 -2.467330 3.198017 ESP Fit Center 9306 is at -5.528868 -2.848800 3.198017 ESP Fit Center 9307 is at -5.569867 -0.484671 2.855327 ESP Fit Center 9308 is at -5.810114 -0.829843 2.855327 ESP Fit Center 9309 is at -5.975959 -1.216309 2.855327 ESP Fit Center 9310 is at -6.060615 -1.628249 2.855327 ESP Fit Center 9311 is at -6.060615 -2.048798 2.855327 ESP Fit Center 9312 is at -5.975959 -2.460738 2.855327 ESP Fit Center 9313 is at -5.810114 -2.847205 2.855327 ESP Fit Center 9314 is at -5.997375 -0.805103 2.476176 ESP Fit Center 9315 is at -6.156727 -1.203143 2.476176 ESP Fit Center 9316 is at -6.237869 -1.624147 2.476176 ESP Fit Center 9317 is at -6.237869 -2.052900 2.476176 ESP Fit Center 9318 is at -6.156727 -2.473905 2.476176 ESP Fit Center 9319 is at -6.271182 -1.209735 2.072083 ESP Fit Center 9320 is at -6.346842 -1.626658 2.072083 ESP Fit Center 9321 is at -6.346842 -2.050390 2.072083 ESP Fit Center 9322 is at -6.271182 -2.467312 2.072083 ESP Fit Center 9323 is at -6.356357 -1.421768 1.655327 ESP Fit Center 9324 is at -6.392818 -1.838524 1.655327 ESP Fit Center 9325 is at -6.346842 -1.626658 1.238572 ESP Fit Center 9326 is at -2.484794 -2.748816 3.871676 ESP Fit Center 9327 is at -2.068038 -2.748816 3.835215 ESP Fit Center 9328 is at -2.276416 -2.387895 3.835215 ESP Fit Center 9329 is at -2.276416 -3.109737 3.835215 ESP Fit Center 9330 is at -1.663946 -2.748816 3.726939 ESP Fit Center 9331 is at -1.773918 -2.338392 3.726939 ESP Fit Center 9332 is at -2.074370 -2.037941 3.726939 ESP Fit Center 9333 is at -2.484794 -3.569664 3.726939 ESP Fit Center 9334 is at -2.074370 -3.459692 3.726939 ESP Fit Center 9335 is at -1.773918 -3.159240 3.726939 ESP Fit Center 9336 is at -1.284794 -2.748816 3.550137 ESP Fit Center 9337 is at -1.357163 -2.338392 3.550137 ESP Fit Center 9338 is at -1.565541 -1.977471 3.550137 ESP Fit Center 9339 is at -1.884794 -1.709586 3.550137 ESP Fit Center 9340 is at -2.693172 -3.930585 3.550137 ESP Fit Center 9341 is at -2.276416 -3.930585 3.550137 ESP Fit Center 9342 is at -1.884794 -3.788047 3.550137 ESP Fit Center 9343 is at -1.565541 -3.520161 3.550137 ESP Fit Center 9344 is at -1.357163 -3.159240 3.550137 ESP Fit Center 9345 is at -0.942104 -2.748816 3.310183 ESP Fit Center 9346 is at -0.999311 -2.332603 3.310183 ESP Fit Center 9347 is at -1.166690 -1.947259 3.310183 ESP Fit Center 9348 is at -1.431826 -1.621363 3.310183 ESP Fit Center 9349 is at -1.775056 -1.379084 3.310183 ESP Fit Center 9350 is at -2.590071 -4.287910 3.310183 ESP Fit Center 9351 is at -2.170924 -4.259240 3.310183 ESP Fit Center 9352 is at -1.775056 -4.118548 3.310183 ESP Fit Center 9353 is at -1.431826 -3.876270 3.310183 ESP Fit Center 9354 is at -1.166690 -3.550373 3.310183 ESP Fit Center 9355 is at -0.999311 -3.165029 3.310183 ESP Fit Center 9356 is at -0.646287 -2.748816 3.014367 ESP Fit Center 9357 is at -0.695845 -2.324827 3.014367 ESP Fit Center 9358 is at -0.841844 -1.923696 3.014367 ESP Fit Center 9359 is at -1.076416 -1.567047 3.014367 ESP Fit Center 9360 is at -1.386914 -1.274107 3.014367 ESP Fit Center 9361 is at -2.591694 -4.584212 3.014367 ESP Fit Center 9362 is at -2.165541 -4.559392 3.014367 ESP Fit Center 9363 is at -1.756599 -4.436963 3.014367 ESP Fit Center 9364 is at -1.386914 -4.223525 3.014367 ESP Fit Center 9365 is at -1.076416 -3.930585 3.014367 ESP Fit Center 9366 is at -0.841844 -3.573936 3.014367 ESP Fit Center 9367 is at -0.695845 -3.172805 3.014367 ESP Fit Center 9368 is at -1.052803 -1.242363 2.671676 ESP Fit Center 9369 is at -1.385363 -0.984942 2.671676 ESP Fit Center 9370 is at -2.170057 -4.803309 2.671676 ESP Fit Center 9371 is at -1.762934 -4.697897 2.671676 ESP Fit Center 9372 is at -1.385363 -4.512690 2.671676 ESP Fit Center 9373 is at -1.052803 -4.255270 2.671676 ESP Fit Center 9374 is at -0.778869 -3.936175 2.671676 ESP Fit Center 9375 is at -0.574776 -3.568469 2.671676 ESP Fit Center 9376 is at -0.448879 -3.167207 2.671676 ESP Fit Center 9377 is at -1.953096 -4.940506 2.292525 ESP Fit Center 9378 is at -1.547924 -4.800275 2.292525 ESP Fit Center 9379 is at -1.176614 -4.585899 2.292525 ESP Fit Center 9380 is at -0.852584 -4.305125 2.292525 ESP Fit Center 9381 is at -0.587547 -3.968103 2.292525 ESP Fit Center 9382 is at -0.391081 -3.587012 2.292525 ESP Fit Center 9383 is at -2.167529 -5.090964 1.888432 ESP Fit Center 9384 is at -1.754420 -4.996675 1.888432 ESP Fit Center 9385 is at -1.364787 -4.830138 1.888432 ESP Fit Center 9386 is at -1.011152 -4.596705 1.888432 ESP Fit Center 9387 is at -0.704881 -4.303880 1.888432 ESP Fit Center 9388 is at -0.455817 -3.961073 1.888432 ESP Fit Center 9389 is at -0.271967 -3.579304 1.888432 ESP Fit Center 9390 is at -1.663946 -5.004078 1.471676 ESP Fit Center 9391 is at -1.284794 -4.827277 1.471676 ESP Fit Center 9392 is at -0.942104 -4.587323 1.471676 ESP Fit Center 9393 is at -0.646287 -4.291506 1.471676 ESP Fit Center 9394 is at -0.406333 -3.948816 1.471676 ESP Fit Center 9395 is at -0.229532 -3.569664 1.471676 ESP Fit Center 9396 is at -1.754420 -4.996675 1.054921 ESP Fit Center 9397 is at -1.364787 -4.830138 1.054921 ESP Fit Center 9398 is at -1.011152 -4.596705 1.054921 ESP Fit Center 9399 is at -0.704881 -4.303880 1.054921 ESP Fit Center 9400 is at -0.455817 -3.961073 1.054921 ESP Fit Center 9401 is at -0.271967 -3.579304 1.054921 ESP Fit Center 9402 is at -1.176614 -4.585899 0.650828 ESP Fit Center 9403 is at -0.852584 -4.305125 0.650828 ESP Fit Center 9404 is at -0.587547 -3.968103 0.650828 ESP Fit Center 9405 is at -1.052803 -4.255270 0.271676 ESP Fit Center 9406 is at -0.778869 -3.936175 0.271676 Entering OneElI... OneElI was handed 2147285871 working-precision words. Calculate electrostatic properties NBasis = 323 MinDer = 0 MaxDer = 0 NGrid = 9406 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 28.92 SMaxX= 21.61 Shift= 11.684785 6.456052 3.739440 Box 1 Number 0 centers from 1 to 108: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.89D+01 RnKept= 1.44D+01 NSMCal= 5886 NSMKep= 2485 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrSmSu: IncTry= 512 NBBP= 23373910 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 178714401 working-precision words and 2485 shell-pairs PRISM was handed 178714401 working-precision words and 2485 shell-pairs PRISM was handed 178714401 working-precision words and 2485 shell-pairs PRISM was handed 178714401 working-precision words and 2485 shell-pairs PRISM was handed 178714401 working-precision words and 2485 shell-pairs PRISM was handed 178714401 working-precision words and 2485 shell-pairs PRISM was handed 178714401 working-precision words and 2485 shell-pairs PRISM was handed 178714401 working-precision words and 2485 shell-pairs PRISM was handed 178714401 working-precision words and 2485 shell-pairs PRISM was handed 178714401 working-precision words and 2485 shell-pairs PRISM was handed 178714401 working-precision words and 2485 shell-pairs PRISM was handed 178714401 working-precision words and 2485 shell-pairs IPart= 7 NShTot= 1852982 NBatch= 1892 AvBLen= 979.4 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 5 NShTot= 1965854 NBatch= 2036 AvBLen= 965.5 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 6 NShTot= 1928230 NBatch= 1997 AvBLen= 965.6 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 0 NShTot= 2182192 NBatch= 2474 AvBLen= 882.1 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 11 NShTot= 1768328 NBatch= 1796 AvBLen= 984.6 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 10 NShTot= 1787140 NBatch= 1814 AvBLen= 985.2 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 9 NShTot= 1815358 NBatch= 1860 AvBLen= 976.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 8 NShTot= 1834170 NBatch= 1879 AvBLen= 976.1 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 4 NShTot= 2003478 NBatch= 2090 AvBLen= 958.6 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 3 NShTot= 2050508 NBatch= 2156 AvBLen= 951.1 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 2 NShTot= 2069320 NBatch= 2184 AvBLen= 947.5 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 2116350 NBatch= 2355 AvBLen= 898.7 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 9372 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00181 RRMS= 0.09253: ESP charges: 1 1 C 0.041812 2 H 0.102319 3 H 0.047825 4 H 0.077020 5 O -0.415341 6 P 0.951758 7 S 0.769778 8 O -0.635985 9 O -0.304022 10 C -0.108351 11 H 0.106845 12 H 0.113638 13 H 0.132715 14 O -0.515325 15 C -0.010083 16 O -0.520696 17 C -0.165295 18 C -0.333012 19 C 0.368632 20 C 0.139515 21 C -0.188044 22 H 0.186531 23 O -0.291610 24 O -0.340679 25 H 0.199355 26 H 0.194224 27 C -0.038011 28 C -0.121431 29 H 0.100683 30 H 0.073722 31 H 0.067450 32 H 0.124469 33 H 0.083268 34 H 0.106329 Sum of ESP charges = -0.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 C 0.268976 5 O -0.415341 6 P 0.951758 7 S 0.769778 8 O -0.635985 9 O -0.304022 10 C 0.244846 14 O -0.515325 15 C -0.010083 16 O -0.520696 17 C 0.028928 18 C -0.146481 19 C 0.368632 20 C 0.139515 21 C 0.011311 23 O -0.291610 24 O -0.340679 27 C 0.203844 28 C 0.192634 Charge= -0.00000 Dipole= -0.5951 2.8573 3.3500 Tot= 4.4430 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -14.652236 2 Atom -1.090215 3 Atom -1.094369 4 Atom -1.092114 5 Atom -22.251466 6 Atom -53.972941 7 Atom -58.967766 8 Atom -22.343669 9 Atom -22.250424 10 Atom -14.654478 11 Atom -1.097414 12 Atom -1.091341 13 Atom -1.093050 14 Atom -22.328744 15 Atom -14.694733 16 Atom -22.330835 17 Atom -14.695886 18 Atom -14.711716 19 Atom -14.635365 20 Atom -14.661464 21 Atom -14.705586 22 Atom -1.079454 23 Atom -22.262793 24 Atom -22.295742 25 Atom -1.085160 26 Atom -1.080790 27 Atom -14.656738 28 Atom -14.682177 29 Atom -1.092801 30 Atom -1.093047 31 Atom -1.093016 32 Atom -1.115809 33 Atom -1.120197 34 Atom -1.119616 35 Fit 0.015566 36 Fit 0.006553 37 Fit 0.010734 38 Fit 0.017416 39 Fit 0.002619 40 Fit 0.009876 41 Fit 0.014595 42 Fit 0.021459 43 Fit 0.009862 44 Fit 0.024593 45 Fit 0.027763 46 Fit 0.028340 47 Fit 0.028401 48 Fit 0.028974 49 Fit 0.027921 50 Fit 0.027881 51 Fit 0.027859 52 Fit 0.027551 53 Fit 0.012277 54 Fit 0.006914 55 Fit 0.026417 56 Fit 0.026676 57 Fit 0.026488 58 Fit 0.025613 59 Fit 0.024094 60 Fit 0.022049 61 Fit 0.019573 62 Fit 0.016814 63 Fit 0.014012 64 Fit 0.011280 65 Fit 0.008213 66 Fit 0.003752 67 Fit 0.023421 68 Fit 0.024477 69 Fit 0.025197 70 Fit 0.004781 71 Fit 0.001309 72 Fit 0.018645 73 Fit -0.001739 74 Fit 0.006603 75 Fit 0.016202 76 Fit 0.017691 77 Fit 0.019182 78 Fit 0.018027 79 Fit 0.014506 80 Fit 0.012229 81 Fit 0.014500 82 Fit 0.019164 83 Fit 0.020687 84 Fit 0.021378 85 Fit 0.021075 86 Fit 0.019570 87 Fit 0.016689 88 Fit 0.012556 89 Fit 0.008320 90 Fit 0.006740 91 Fit 0.009493 92 Fit 0.013700 93 Fit 0.016893 94 Fit 0.021025 95 Fit 0.022026 96 Fit 0.022686 97 Fit 0.022926 98 Fit 0.022642 99 Fit 0.021698 100 Fit 0.019920 101 Fit 0.017092 102 Fit 0.012990 103 Fit 0.007584 104 Fit 0.001689 105 Fit 0.019738 106 Fit 0.024039 107 Fit 0.023929 108 Fit 0.023991 109 Fit 0.023987 110 Fit 0.023807 111 Fit 0.023342 112 Fit 0.022474 113 Fit 0.021066 114 Fit 0.018934 115 Fit 0.015809 116 Fit 0.011299 117 Fit 0.004887 118 Fit 0.027050 119 Fit 0.025897 120 Fit 0.025150 121 Fit 0.024548 122 Fit 0.023945 123 Fit 0.023212 124 Fit 0.022232 125 Fit 0.020883 126 Fit 0.019010 127 Fit 0.016369 128 Fit 0.012544 129 Fit 0.006785 130 Fit 0.028691 131 Fit 0.026656 132 Fit 0.025198 133 Fit 0.024045 134 Fit 0.022993 135 Fit 0.021884 136 Fit 0.020592 137 Fit 0.018991 138 Fit 0.016899 139 Fit 0.013981 140 Fit 0.009553 141 Fit 0.028230 142 Fit 0.025545 143 Fit 0.023565 144 Fit 0.021933 145 Fit 0.020411 146 Fit 0.018846 147 Fit 0.017119 148 Fit 0.015059 149 Fit 0.012284 150 Fit 0.024862 151 Fit 0.021931 152 Fit 0.019581 153 Fit 0.017511 154 Fit 0.015616 155 Fit 0.013889 156 Fit 0.023510 157 Fit 0.022798 158 Fit 0.021434 159 Fit 0.019545 160 Fit 0.017243 161 Fit 0.014589 162 Fit 0.011625 163 Fit 0.008396 164 Fit 0.004918 165 Fit 0.001159 166 Fit 0.015187 167 Fit 0.016849 168 Fit 0.017540 169 Fit 0.017337 170 Fit 0.016321 171 Fit 0.014568 172 Fit 0.012109 173 Fit 0.008908 174 Fit 0.004840 175 Fit -0.000386 176 Fit -0.007350 177 Fit 0.009446 178 Fit 0.011484 179 Fit 0.012286 180 Fit 0.011920 181 Fit 0.010410 182 Fit 0.007696 183 Fit 0.003562 184 Fit -0.002506 185 Fit -0.011642 186 Fit -0.003578 187 Fit 0.001274 188 Fit 0.006054 189 Fit 0.003514 190 Fit 0.005688 191 Fit 0.006093 192 Fit 0.004652 193 Fit 0.001104 194 Fit -0.005227 195 Fit -0.015890 196 Fit -0.009354 197 Fit -0.005434 198 Fit -0.000367 199 Fit -0.004476 200 Fit -0.002266 201 Fit -0.003693 202 Fit -0.009538 203 Fit -0.021839 204 Fit -0.019611 205 Fit -0.010137 206 Fit -0.016620 207 Fit -0.016397 208 Fit 0.016351 209 Fit 0.017647 210 Fit 0.018852 211 Fit 0.013758 212 Fit 0.015528 213 Fit 0.019153 214 Fit 0.020175 215 Fit 0.021305 216 Fit 0.013300 217 Fit 0.015608 218 Fit 0.017654 219 Fit 0.020385 220 Fit 0.021295 221 Fit 0.022254 222 Fit 0.023980 223 Fit 0.011728 224 Fit 0.013722 225 Fit 0.015407 226 Fit 0.017383 227 Fit 0.019125 228 Fit 0.021091 229 Fit 0.021979 230 Fit 0.022897 231 Fit 0.024365 232 Fit 0.013700 233 Fit 0.014022 234 Fit 0.016030 235 Fit 0.018193 236 Fit 0.019894 237 Fit 0.021122 238 Fit 0.022067 239 Fit 0.023031 240 Fit 0.024468 241 Fit 0.027068 242 Fit 0.009373 243 Fit 0.012046 244 Fit 0.015400 245 Fit 0.018033 246 Fit 0.019868 247 Fit 0.020376 248 Fit 0.021503 249 Fit 0.022651 250 Fit 0.024317 251 Fit 0.027236 252 Fit 0.007215 253 Fit 0.012953 254 Fit 0.016593 255 Fit 0.018876 256 Fit 0.018784 257 Fit 0.020269 258 Fit 0.021782 259 Fit 0.023978 260 Fit 0.007747 261 Fit 0.013515 262 Fit 0.016769 263 Fit 0.016341 264 Fit 0.018470 265 Fit 0.020670 266 Fit 0.024023 267 Fit 0.007983 268 Fit 0.013321 269 Fit 0.013207 270 Fit 0.016358 271 Fit 0.019791 272 Fit -0.000376 273 Fit 0.008534 274 Fit 0.010005 275 Fit 0.014862 276 Fit 0.002996 277 Fit -0.020126 278 Fit -0.013404 279 Fit -0.010834 280 Fit -0.017327 281 Fit -0.025310 282 Fit -0.026697 283 Fit -0.020926 284 Fit -0.005323 285 Fit -0.003555 286 Fit -0.013149 287 Fit -0.022427 288 Fit -0.028771 289 Fit -0.031750 290 Fit -0.031026 291 Fit -0.026029 292 Fit -0.018985 293 Fit -0.012099 294 Fit -0.012024 295 Fit -0.021565 296 Fit -0.028075 297 Fit -0.032058 298 Fit -0.034512 299 Fit -0.008439 300 Fit -0.002779 301 Fit -0.011177 302 Fit -0.020146 303 Fit -0.026124 304 Fit -0.029726 305 Fit -0.032264 306 Fit 0.002759 307 Fit 0.007541 308 Fit -0.007705 309 Fit -0.016897 310 Fit -0.022806 311 Fit -0.025916 312 Fit -0.027327 313 Fit -0.004712 314 Fit -0.013267 315 Fit -0.018630 316 Fit -0.021035 317 Fit -0.020942 318 Fit 0.000662 319 Fit -0.007835 320 Fit -0.012976 321 Fit -0.014945 322 Fit -0.013649 323 Fit 0.001750 324 Fit -0.004592 325 Fit -0.007305 326 Fit -0.006552 327 Fit 0.000313 328 Fit -0.000848 329 Fit 0.002749 330 Fit -0.000602 331 Fit -0.027158 332 Fit -0.017996 333 Fit -0.030465 334 Fit -0.035060 335 Fit -0.037306 336 Fit -0.026300 337 Fit -0.008392 338 Fit -0.035351 339 Fit -0.041136 340 Fit -0.026884 341 Fit -0.013300 342 Fit 0.000460 343 Fit -0.001862 344 Fit -0.036270 345 Fit -0.044910 346 Fit -0.027519 347 Fit -0.011916 348 Fit -0.002770 349 Fit 0.007031 350 Fit 0.007413 351 Fit -0.032332 352 Fit -0.039201 353 Fit -0.012637 354 Fit -0.001618 355 Fit 0.004287 356 Fit 0.009624 357 Fit 0.013235 358 Fit -0.027228 359 Fit -0.036330 360 Fit -0.014421 361 Fit -0.002068 362 Fit 0.004139 363 Fit 0.007068 364 Fit 0.006612 365 Fit -0.018850 366 Fit -0.021186 367 Fit -0.031538 368 Fit -0.013158 369 Fit -0.000296 370 Fit 0.005070 371 Fit 0.005494 372 Fit 0.004713 373 Fit -0.010796 374 Fit -0.011943 375 Fit -0.019430 376 Fit -0.032805 377 Fit -0.003263 378 Fit -0.001701 379 Fit -0.005607 380 Fit -0.024907 381 Fit -0.026766 382 Fit -0.015386 383 Fit -0.022526 384 Fit -0.010055 385 Fit 0.008789 386 Fit -0.015831 387 Fit -0.017940 388 Fit -0.017594 389 Fit -0.024858 390 Fit -0.014604 391 Fit -0.027047 392 Fit -0.033029 393 Fit -0.028092 394 Fit -0.037430 395 Fit -0.040985 396 Fit -0.024322 397 Fit -0.015003 398 Fit -0.012465 399 Fit -0.025970 400 Fit -0.046412 401 Fit -0.046934 402 Fit -0.028571 403 Fit -0.018115 404 Fit -0.014513 405 Fit -0.015942 406 Fit -0.021224 407 Fit -0.031277 408 Fit -0.049750 409 Fit -0.031887 410 Fit -0.022292 411 Fit -0.019543 412 Fit -0.023682 413 Fit -0.034814 414 Fit -0.049062 415 Fit -0.047459 416 Fit -0.041873 417 Fit -0.032546 418 Fit -0.027365 419 Fit -0.031814 420 Fit -0.044348 421 Fit -0.037643 422 Fit -0.040678 423 Fit -0.053636 424 Fit -0.049607 425 Fit -0.048799 426 Fit -0.052614 427 Fit -0.055808 428 Fit -0.056259 429 Fit -0.053874 430 Fit -0.043234 431 Fit -0.039687 432 Fit -0.045936 433 Fit -0.050621 434 Fit -0.054332 435 Fit -0.056543 436 Fit -0.057360 437 Fit -0.057234 438 Fit -0.056093 439 Fit -0.053387 440 Fit -0.048803 441 Fit -0.034031 442 Fit -0.048708 443 Fit -0.052702 444 Fit -0.055376 445 Fit -0.056659 446 Fit -0.057106 447 Fit -0.057155 448 Fit -0.056744 449 Fit -0.055453 450 Fit -0.052753 451 Fit -0.048238 452 Fit -0.041808 453 Fit -0.044871 454 Fit -0.049671 455 Fit -0.053084 456 Fit -0.054898 457 Fit -0.055635 458 Fit -0.055966 459 Fit -0.056201 460 Fit -0.056216 461 Fit -0.055676 462 Fit -0.054173 463 Fit -0.051304 464 Fit -0.046775 465 Fit -0.040426 466 Fit -0.032092 467 Fit -0.043874 468 Fit -0.049161 469 Fit -0.052136 470 Fit -0.053375 471 Fit -0.053852 472 Fit -0.054307 473 Fit -0.054835 474 Fit -0.055118 475 Fit -0.054761 476 Fit -0.053354 477 Fit -0.050480 478 Fit -0.045810 479 Fit -0.039268 480 Fit -0.030911 481 Fit -0.043318 482 Fit -0.048134 483 Fit -0.050325 484 Fit -0.051065 485 Fit -0.051564 486 Fit -0.052384 487 Fit -0.053303 488 Fit -0.053856 489 Fit -0.053633 490 Fit -0.052243 491 Fit -0.049241 492 Fit -0.044186 493 Fit -0.036875 494 Fit -0.027718 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