Entering Gaussian System, Link 0=g16 Input=charges.com Output=charges.log Initial command: /home/ros/g16/l1.exe "/home/ros/tmp/Gau-2169332.inp" -scrdir="/home/ros/tmp/" Entering Link 1 = /home/ros/g16/l1.exe PID= 2169334. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 16, Revision A.03, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016. ****************************************** Gaussian 16: ES64L-G16RevA.03 25-Dec-2016 23-Apr-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 = -2 Multiplicity = 1 P 1.963 2.606 -0.393 O 2.908 2.658 -1.644 O 1.644 1.113 -0.204 O 0.654 3.343 -0.778 C 2.483 3.063 0.922 H 2.708 4.088 1.125 C 2.609 2.111 1.836 H 2.374 1.108 1.613 C 3.067 2.5 3.116 H 2.382 3.267 3.445 O 3.272 1.348 4.072 C 4.727 1.098 4.004 H 5.196 1.709 4.79 C 5.119 -0.384 4.177 C 4.458 3.047 2.881 H 4.529 3.781 2.069 C 5.171 1.713 2.652 H 4.76 1.173 1.795 H 6.255 1.783 2.542 O 4.927 3.631 4.012 H 6.214 -0.488 4.113 H 4.649 -0.98 3.38 H 4.774 -0.747 5.158 P 4.263 5.044 4.282 O 4.778 5.722 5.441 O 2.829 4.903 4.259 O 4.51 5.776 2.974 H 5.491 5.967 2.91 H 0.154 3.455 0.097 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Initialization pass. ---------------------------- ! Initial Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.5687 estimate D2E/DX2 ! ! R2 R(1,3) 1.5384 estimate D2E/DX2 ! ! R3 R(1,4) 1.5508 estimate D2E/DX2 ! ! R4 R(1,5) 1.4861 estimate D2E/DX2 ! ! R5 R(4,29) 1.014 estimate D2E/DX2 ! ! R6 R(5,6) 1.0689 estimate D2E/DX2 ! ! R7 R(5,7) 1.3257 estimate D2E/DX2 ! ! R8 R(7,8) 1.054 estimate D2E/DX2 ! ! R9 R(7,9) 1.414 estimate D2E/DX2 ! ! R10 R(9,10) 1.0797 estimate D2E/DX2 ! ! R11 R(9,11) 1.511 estimate D2E/DX2 ! ! R12 R(9,15) 1.513 estimate D2E/DX2 ! ! R13 R(11,12) 1.4779 estimate D2E/DX2 ! ! R14 R(12,13) 1.1005 estimate D2E/DX2 ! ! R15 R(12,14) 1.5427 estimate D2E/DX2 ! ! R16 R(12,17) 1.5502 estimate D2E/DX2 ! ! R17 R(14,21) 1.1018 estimate D2E/DX2 ! ! R18 R(14,22) 1.1006 estimate D2E/DX2 ! ! R19 R(14,23) 1.1014 estimate D2E/DX2 ! ! R20 R(15,16) 1.0969 estimate D2E/DX2 ! ! R21 R(15,17) 1.5298 estimate D2E/DX2 ! ! R22 R(15,20) 1.3565 estimate D2E/DX2 ! ! R23 R(17,18) 1.0931 estimate D2E/DX2 ! ! R24 R(17,19) 1.0918 estimate D2E/DX2 ! ! R25 R(20,24) 1.5844 estimate D2E/DX2 ! ! R26 R(24,25) 1.4381 estimate D2E/DX2 ! ! R27 R(24,26) 1.4411 estimate D2E/DX2 ! ! R28 R(24,27) 1.5191 estimate D2E/DX2 ! ! R29 R(27,28) 1.0015 estimate D2E/DX2 ! ! A1 A(2,1,3) 104.7778 estimate D2E/DX2 ! ! A2 A(2,1,4) 107.1432 estimate D2E/DX2 ! ! A3 A(2,1,5) 118.992 estimate D2E/DX2 ! ! A4 A(3,1,4) 108.4637 estimate D2E/DX2 ! ! A5 A(3,1,5) 105.2064 estimate D2E/DX2 ! ! A6 A(4,1,5) 111.6474 estimate D2E/DX2 ! ! A7 A(1,4,29) 104.7432 estimate D2E/DX2 ! ! A8 A(1,5,6) 122.4534 estimate D2E/DX2 ! ! A9 A(1,5,7) 114.9916 estimate D2E/DX2 ! ! A10 A(6,5,7) 122.526 estimate D2E/DX2 ! ! A11 A(5,7,8) 121.0829 estimate D2E/DX2 ! ! A12 A(5,7,9) 117.2141 estimate D2E/DX2 ! ! A13 A(8,7,9) 121.7029 estimate D2E/DX2 ! ! A14 A(7,9,10) 105.4125 estimate D2E/DX2 ! ! A15 A(7,9,11) 114.0123 estimate D2E/DX2 ! ! A16 A(7,9,15) 104.8702 estimate D2E/DX2 ! ! A17 A(10,9,11) 115.7784 estimate D2E/DX2 ! ! A18 A(10,9,15) 111.9481 estimate D2E/DX2 ! ! A19 A(11,9,15) 104.4284 estimate D2E/DX2 ! ! A20 A(9,11,12) 103.4992 estimate D2E/DX2 ! ! A21 A(11,12,13) 107.0252 estimate D2E/DX2 ! ! A22 A(11,12,14) 114.0485 estimate D2E/DX2 ! ! A23 A(11,12,17) 104.773 estimate D2E/DX2 ! ! A24 A(13,12,14) 110.1804 estimate D2E/DX2 ! ! A25 A(13,12,17) 106.2946 estimate D2E/DX2 ! ! A26 A(14,12,17) 113.9618 estimate D2E/DX2 ! ! A27 A(12,14,21) 109.6759 estimate D2E/DX2 ! ! A28 A(12,14,22) 109.299 estimate D2E/DX2 ! ! A29 A(12,14,23) 109.6876 estimate D2E/DX2 ! ! A30 A(21,14,22) 109.3434 estimate D2E/DX2 ! ! A31 A(21,14,23) 109.3857 estimate D2E/DX2 ! ! A32 A(22,14,23) 109.4351 estimate D2E/DX2 ! ! A33 A(9,15,16) 114.6079 estimate D2E/DX2 ! ! A34 A(9,15,17) 97.844 estimate D2E/DX2 ! ! A35 A(9,15,20) 110.1203 estimate D2E/DX2 ! ! A36 A(16,15,17) 116.2656 estimate D2E/DX2 ! ! A37 A(16,15,20) 107.863 estimate D2E/DX2 ! ! A38 A(17,15,20) 109.8202 estimate D2E/DX2 ! ! A39 A(12,17,15) 94.6977 estimate D2E/DX2 ! ! A40 A(12,17,18) 112.3379 estimate D2E/DX2 ! ! A41 A(12,17,19) 113.4318 estimate D2E/DX2 ! ! A42 A(15,17,18) 111.8931 estimate D2E/DX2 ! ! A43 A(15,17,19) 114.955 estimate D2E/DX2 ! ! A44 A(18,17,19) 109.0246 estimate D2E/DX2 ! ! A45 A(15,20,24) 112.4031 estimate D2E/DX2 ! ! A46 A(20,24,25) 114.0607 estimate D2E/DX2 ! ! A47 A(20,24,26) 109.0893 estimate D2E/DX2 ! ! A48 A(20,24,27) 102.4074 estimate D2E/DX2 ! ! A49 A(25,24,26) 114.5402 estimate D2E/DX2 ! ! A50 A(25,24,27) 114.1117 estimate D2E/DX2 ! ! A51 A(26,24,27) 101.2563 estimate D2E/DX2 ! ! A52 A(24,27,28) 107.8302 estimate D2E/DX2 ! ! D1 D(2,1,4,29) -168.8157 estimate D2E/DX2 ! ! D2 D(3,1,4,29) 78.5772 estimate D2E/DX2 ! ! D3 D(5,1,4,29) -36.8923 estimate D2E/DX2 ! ! D4 D(2,1,5,6) 68.7733 estimate D2E/DX2 ! ! D5 D(2,1,5,7) -113.143 estimate D2E/DX2 ! ! D6 D(3,1,5,6) -174.3023 estimate D2E/DX2 ! ! D7 D(3,1,5,7) 3.7814 estimate D2E/DX2 ! ! D8 D(4,1,5,6) -56.8522 estimate D2E/DX2 ! ! D9 D(4,1,5,7) 121.2315 estimate D2E/DX2 ! ! D10 D(1,5,7,8) 1.4718 estimate D2E/DX2 ! ! D11 D(1,5,7,9) -178.3892 estimate D2E/DX2 ! ! D12 D(6,5,7,8) 179.554 estimate D2E/DX2 ! ! D13 D(6,5,7,9) -0.3071 estimate D2E/DX2 ! ! D14 D(5,7,9,10) 55.8008 estimate D2E/DX2 ! ! D15 D(5,7,9,11) -176.1263 estimate D2E/DX2 ! ! D16 D(5,7,9,15) -62.5159 estimate D2E/DX2 ! ! D17 D(8,7,9,10) -124.0594 estimate D2E/DX2 ! ! D18 D(8,7,9,11) 4.0136 estimate D2E/DX2 ! ! D19 D(8,7,9,15) 117.624 estimate D2E/DX2 ! ! D20 D(7,9,11,12) 98.7881 estimate D2E/DX2 ! ! D21 D(10,9,11,12) -138.6475 estimate D2E/DX2 ! ! D22 D(15,9,11,12) -15.0849 estimate D2E/DX2 ! ! D23 D(7,9,15,16) 49.3943 estimate D2E/DX2 ! ! D24 D(7,9,15,17) -74.2774 estimate D2E/DX2 ! ! D25 D(7,9,15,20) 171.204 estimate D2E/DX2 ! ! D26 D(10,9,15,16) -64.4004 estimate D2E/DX2 ! ! D27 D(10,9,15,17) 171.9279 estimate D2E/DX2 ! ! D28 D(10,9,15,20) 57.4093 estimate D2E/DX2 ! ! D29 D(11,9,15,16) 169.5969 estimate D2E/DX2 ! ! D30 D(11,9,15,17) 45.9252 estimate D2E/DX2 ! ! D31 D(11,9,15,20) -68.5933 estimate D2E/DX2 ! ! D32 D(9,11,12,13) 91.1134 estimate D2E/DX2 ! ! D33 D(9,11,12,14) -146.7645 estimate D2E/DX2 ! ! D34 D(9,11,12,17) -21.4818 estimate D2E/DX2 ! ! D35 D(11,12,14,21) 179.9211 estimate D2E/DX2 ! ! D36 D(11,12,14,22) 60.0582 estimate D2E/DX2 ! ! D37 D(11,12,14,23) -59.9241 estimate D2E/DX2 ! ! D38 D(13,12,14,21) -59.7074 estimate D2E/DX2 ! ! D39 D(13,12,14,22) -179.5703 estimate D2E/DX2 ! ! D40 D(13,12,14,23) 60.4474 estimate D2E/DX2 ! ! D41 D(17,12,14,21) 59.6637 estimate D2E/DX2 ! ! D42 D(17,12,14,22) -60.1992 estimate D2E/DX2 ! ! D43 D(17,12,14,23) 179.8185 estimate D2E/DX2 ! ! D44 D(11,12,17,15) 48.8513 estimate D2E/DX2 ! ! D45 D(11,12,17,18) -67.1411 estimate D2E/DX2 ! ! D46 D(11,12,17,19) 168.6523 estimate D2E/DX2 ! ! D47 D(13,12,17,15) -64.2626 estimate D2E/DX2 ! ! D48 D(13,12,17,18) 179.745 estimate D2E/DX2 ! ! D49 D(13,12,17,19) 55.5384 estimate D2E/DX2 ! ! D50 D(14,12,17,15) 174.1885 estimate D2E/DX2 ! ! D51 D(14,12,17,18) 58.1961 estimate D2E/DX2 ! ! D52 D(14,12,17,19) -66.0104 estimate D2E/DX2 ! ! D53 D(9,15,17,12) -55.9122 estimate D2E/DX2 ! ! D54 D(9,15,17,18) 60.4479 estimate D2E/DX2 ! ! D55 D(9,15,17,19) -174.4881 estimate D2E/DX2 ! ! D56 D(16,15,17,12) -178.3727 estimate D2E/DX2 ! ! D57 D(16,15,17,18) -62.0127 estimate D2E/DX2 ! ! D58 D(16,15,17,19) 63.0513 estimate D2E/DX2 ! ! D59 D(20,15,17,12) 58.8441 estimate D2E/DX2 ! ! D60 D(20,15,17,18) 175.2042 estimate D2E/DX2 ! ! D61 D(20,15,17,19) -59.7318 estimate D2E/DX2 ! ! D62 D(9,15,20,24) -75.2898 estimate D2E/DX2 ! ! D63 D(16,15,20,24) 50.4424 estimate D2E/DX2 ! ! D64 D(17,15,20,24) 178.0594 estimate D2E/DX2 ! ! D65 D(15,20,24,25) -177.3786 estimate D2E/DX2 ! ! D66 D(15,20,24,26) 53.139 estimate D2E/DX2 ! ! D67 D(15,20,24,27) -53.5772 estimate D2E/DX2 ! ! D68 D(20,24,27,28) -70.0575 estimate D2E/DX2 ! ! D69 D(25,24,27,28) 53.7098 estimate D2E/DX2 ! ! D70 D(26,24,27,28) 177.2853 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= 161 maximum allowed number of steps= 174. GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.963000 2.606000 -0.393000 2 8 0 2.908000 2.658000 -1.644000 3 8 0 1.644000 1.113000 -0.204000 4 8 0 0.654000 3.343000 -0.778000 5 6 0 2.483000 3.063000 0.922000 6 1 0 2.708000 4.088000 1.125000 7 6 0 2.609000 2.111000 1.836000 8 1 0 2.374000 1.108000 1.613000 9 6 0 3.067000 2.500000 3.116000 10 1 0 2.382000 3.267000 3.445000 11 8 0 3.272000 1.348000 4.072000 12 6 0 4.727000 1.098000 4.004000 13 1 0 5.196000 1.709000 4.790000 14 6 0 5.119000 -0.384000 4.177000 15 6 0 4.458000 3.047000 2.881000 16 1 0 4.529000 3.781000 2.069000 17 6 0 5.171000 1.713000 2.652000 18 1 0 4.760000 1.173000 1.795000 19 1 0 6.255000 1.783000 2.542000 20 8 0 4.927000 3.631000 4.012000 21 1 0 6.214000 -0.488000 4.113000 22 1 0 4.649000 -0.980000 3.380000 23 1 0 4.774000 -0.747000 5.158000 24 15 0 4.263000 5.044000 4.282000 25 8 0 4.778000 5.722000 5.441000 26 8 0 2.829000 4.903000 4.259000 27 8 0 4.510000 5.776000 2.974000 28 1 0 5.491000 5.967000 2.910000 29 1 0 0.154000 3.455000 0.097000 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.568671 0.000000 3 O 1.538353 2.461366 0.000000 4 O 1.550766 2.509920 2.506487 0.000000 5 C 1.486094 2.632301 2.402977 2.512696 0.000000 6 H 2.248482 3.122861 3.427676 2.897473 1.068859 7 C 2.372927 3.535394 2.467555 3.488960 1.325736 8 H 2.537117 3.646328 1.958166 3.697365 2.076388 9 C 3.680100 4.765275 3.869250 4.657945 2.339158 10 H 3.916979 5.152230 4.301112 4.563495 2.533248 11 O 4.819987 5.875479 4.581461 5.861437 3.672362 12 C 5.408084 6.135329 5.216548 6.670598 4.288996 13 H 6.174171 6.894338 6.157269 7.369012 4.914785 14 C 6.307562 6.930103 5.788765 7.640601 5.424512 15 C 4.139877 4.798900 4.601758 5.286427 2.781827 16 H 3.745187 4.204181 4.539601 4.828341 2.453008 17 C 4.512287 4.946697 4.577823 5.901279 3.469978 18 H 3.829366 4.178738 3.702574 5.309281 3.085281 19 H 5.264297 5.430528 5.408395 6.695312 4.300091 20 O 5.407397 6.083866 5.907036 6.425385 3.980435 21 H 6.924440 7.346428 6.487264 8.337388 6.059079 22 H 5.857433 6.442569 5.124035 7.206755 5.203765 23 H 7.068092 7.832189 6.481323 8.302927 6.140723 24 P 5.752345 6.530429 6.514301 6.443748 4.287466 25 O 7.188132 7.942432 7.932897 7.832176 5.723519 26 O 5.259969 6.315986 5.973834 5.703998 3.826341 27 O 5.279469 5.797780 6.329076 5.904721 3.959773 28 H 5.886673 6.193568 6.932368 6.624446 4.629625 29 H 2.057518 3.354222 2.792072 1.013987 2.501705 6 7 8 9 10 6 H 0.000000 7 C 2.103295 0.000000 8 H 3.038108 1.054022 0.000000 9 C 2.571907 1.414031 2.162619 0.000000 10 H 2.482482 1.994178 2.831531 1.079701 0.000000 11 O 4.063312 2.453861 2.628818 1.510981 2.206307 12 C 4.615745 3.195672 3.354637 2.347285 3.242849 13 H 5.028122 3.947187 4.291645 2.821453 3.486400 14 C 5.926754 4.243278 4.041681 3.695116 4.621341 15 C 2.688813 2.320974 3.116184 1.513048 2.162469 16 H 2.073988 2.555306 3.463653 2.207853 2.601381 17 C 3.746828 2.718107 3.044463 2.293792 3.289724 18 H 3.627234 2.346982 2.393814 2.524325 3.572425 19 H 4.461180 3.728181 4.047323 3.317666 4.244737 20 O 3.669820 3.523989 4.317237 2.354055 2.632681 21 H 6.493070 4.993551 4.852094 4.452613 5.406521 22 H 5.876830 4.012458 3.557760 3.831817 4.814616 23 H 6.626513 4.887850 4.665624 4.198407 4.976769 24 P 3.646726 4.161865 5.117028 3.043338 2.719643 25 O 5.057936 5.544358 6.459241 4.326018 3.968861 26 O 3.240497 3.703322 4.648695 2.671610 1.881197 27 O 3.084696 4.282648 5.310842 3.582539 3.323448 28 H 3.802888 4.932356 5.916737 4.235363 4.152361 29 H 2.824958 3.295069 3.568622 4.302552 4.025970 11 12 13 14 15 11 O 0.000000 12 C 1.477887 0.000000 13 H 2.085095 1.100490 0.000000 14 C 2.534217 1.542698 2.182280 0.000000 15 C 2.389912 2.265412 2.445234 3.726701 0.000000 16 H 3.392867 3.313898 3.484525 4.705209 1.096878 17 C 2.399130 1.550247 2.138150 2.593403 1.529825 18 H 2.725711 2.210519 3.073665 2.868284 2.186887 19 H 3.380594 2.222938 2.486053 2.942722 2.223022 20 O 2.820410 2.540896 2.090868 4.022973 1.356532 21 H 3.468132 2.176797 2.514252 1.101788 4.134923 22 H 2.791877 2.171070 3.085130 1.100602 4.062291 23 H 2.797217 2.176683 2.519016 1.101433 4.436104 24 P 3.832310 3.982900 3.500111 5.496085 2.447210 25 O 4.824321 4.842411 4.086893 6.244775 3.716399 26 O 3.587373 4.259748 4.010771 5.762221 2.827943 27 O 4.727096 4.794963 4.506544 6.305846 2.731079 28 H 5.254462 5.048534 4.663903 6.486823 3.097472 29 H 5.473755 6.460064 7.105950 7.485689 5.142133 16 17 18 19 20 16 H 0.000000 17 C 2.242471 0.000000 18 H 2.632508 1.093147 0.000000 19 H 2.682314 1.091813 1.779082 0.000000 20 O 1.989008 2.363865 3.314324 2.709167 0.000000 21 H 5.024094 2.840206 3.200963 2.761732 4.316565 22 H 4.939660 2.838083 2.675809 3.303884 4.662406 23 H 5.486778 3.534013 3.872514 3.929086 4.528091 24 P 2.561893 3.817974 4.627831 4.198784 1.584413 25 O 3.898701 4.899495 5.829841 5.108958 2.537030 26 O 2.990817 4.271243 4.869595 4.941656 2.465887 27 O 2.190756 4.128992 4.758167 4.379007 2.419165 28 H 2.532059 4.273813 4.975944 4.269072 2.643747 29 H 4.809957 5.893461 5.413498 6.782021 6.175737 21 22 23 24 25 21 H 0.000000 22 H 1.796824 0.000000 23 H 1.797973 1.797553 0.000000 24 P 5.868389 6.103374 5.879131 0.000000 25 O 6.510743 7.012928 6.475188 1.438120 0.000000 26 O 6.367293 6.220509 6.042659 1.441099 2.422083 27 O 6.590799 6.769615 6.883973 1.519111 2.482102 28 H 6.605828 7.013606 7.116557 2.059684 2.640900 29 H 8.270375 7.117046 8.038341 6.076432 7.421523 26 27 28 29 26 O 0.000000 27 O 2.288911 0.000000 28 H 3.168303 1.001468 0.000000 29 H 5.155053 5.713047 6.535035 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.151334 -0.485849 0.090546 2 8 0 -3.750271 -0.535602 1.539521 3 8 0 -3.556968 0.894324 -0.454537 4 8 0 -3.876671 -1.575068 -0.741537 5 6 0 -1.676944 -0.555215 -0.082187 6 1 0 -1.115900 -1.440473 0.127587 7 6 0 -1.115616 0.549551 -0.553336 8 1 0 -1.691978 1.407770 -0.758835 9 6 0 0.281611 0.523596 -0.769132 10 1 0 0.454454 -0.312803 -1.429675 11 8 0 0.859099 1.845731 -1.218053 12 6 0 1.407161 2.423352 0.026989 13 1 0 2.456076 2.098193 0.098589 14 6 0 1.320983 3.962035 0.097309 15 6 0 0.881938 0.295711 0.600901 16 1 0 0.436938 -0.535030 1.162137 17 6 0 0.647967 1.697484 1.167166 18 1 0 -0.413929 1.956028 1.189587 19 1 0 1.077887 1.872776 2.155345 20 8 0 2.213396 0.059352 0.493509 21 1 0 1.746136 4.314210 1.050805 22 1 0 0.266540 4.270648 0.032239 23 1 0 1.884478 4.403875 -0.739594 24 15 0 2.526613 -1.398361 -0.042527 25 8 0 3.929179 -1.708056 -0.113844 26 8 0 1.802688 -1.614937 -1.269635 27 8 0 1.745667 -2.275315 0.921202 28 1 0 2.200242 -2.231825 1.812498 29 1 0 -3.341677 -1.642737 -1.600241 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5604580 0.2629869 0.2029568 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1703.9904993526 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.47D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+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) = -1552.32749444 A.U. after 15 cycles NFock= 15 Conv=0.51D-08 -V/T= 2.0002 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -79.77571 -79.71050 -20.35416 -20.34186 -20.33952 Alpha occ. eigenvalues -- -20.32635 -20.22538 -20.19329 -20.15707 -20.13991 Alpha occ. eigenvalues -- -11.07526 -11.05952 -11.04255 -11.02480 -11.01880 Alpha occ. eigenvalues -- -10.99915 -10.93428 -7.30855 -7.24979 -5.20715 Alpha occ. eigenvalues -- -5.20611 -5.20584 -5.14909 -5.14637 -5.14473 Alpha occ. eigenvalues -- -1.22477 -1.16020 -1.13512 -1.11734 -1.04415 Alpha occ. eigenvalues -- -0.98871 -0.95928 -0.88967 -0.87531 -0.84812 Alpha occ. eigenvalues -- -0.79224 -0.72011 -0.63892 -0.59016 -0.55725 Alpha occ. eigenvalues -- -0.54902 -0.50766 -0.48712 -0.47640 -0.44426 Alpha occ. eigenvalues -- -0.43405 -0.42115 -0.40665 -0.39780 -0.37275 Alpha occ. eigenvalues -- -0.36583 -0.35515 -0.35136 -0.33699 -0.31618 Alpha occ. eigenvalues -- -0.31070 -0.30569 -0.30101 -0.29044 -0.27716 Alpha occ. eigenvalues -- -0.26012 -0.24698 -0.23341 -0.22951 -0.21721 Alpha occ. eigenvalues -- -0.19932 -0.19011 -0.18724 -0.16225 -0.14944 Alpha occ. eigenvalues -- -0.13463 -0.12248 -0.09650 -0.08051 -0.05370 Alpha virt. eigenvalues -- 0.37762 0.41821 0.42346 0.45139 0.46524 Alpha virt. eigenvalues -- 0.48094 0.49907 0.50675 0.51489 0.52448 Alpha virt. eigenvalues -- 0.53699 0.55958 0.57152 0.58112 0.58123 Alpha virt. eigenvalues -- 0.59252 0.59498 0.60975 0.61720 0.63802 Alpha virt. eigenvalues -- 0.65708 0.66741 0.67033 0.67755 0.69890 Alpha virt. eigenvalues -- 0.70365 0.72992 0.76653 0.77230 0.79893 Alpha virt. eigenvalues -- 0.83961 0.84695 0.87538 0.88806 0.89609 Alpha virt. eigenvalues -- 0.92732 0.94142 0.95208 0.96918 0.98236 Alpha virt. eigenvalues -- 0.99629 1.00554 1.02634 1.04581 1.07760 Alpha virt. eigenvalues -- 1.09533 1.10364 1.10694 1.12841 1.16155 Alpha virt. eigenvalues -- 1.17905 1.18630 1.20607 1.21880 1.23526 Alpha virt. eigenvalues -- 1.23612 1.24723 1.26065 1.26967 1.28715 Alpha virt. eigenvalues -- 1.30026 1.31073 1.32390 1.34004 1.34909 Alpha virt. eigenvalues -- 1.35355 1.36630 1.37362 1.38151 1.38801 Alpha virt. eigenvalues -- 1.39838 1.40479 1.42153 1.42555 1.44886 Alpha virt. eigenvalues -- 1.45622 1.46855 1.48377 1.50963 1.51646 Alpha virt. eigenvalues -- 1.52904 1.53411 1.54894 1.57827 1.58220 Alpha virt. eigenvalues -- 1.59380 1.61594 1.62156 1.64341 1.64907 Alpha virt. eigenvalues -- 1.65424 1.67556 1.70399 1.72562 1.73318 Alpha virt. eigenvalues -- 1.74074 1.75713 1.77312 1.77683 1.79973 Alpha virt. eigenvalues -- 1.83330 1.84947 1.86598 1.86968 1.88520 Alpha virt. eigenvalues -- 1.90852 1.91041 1.92540 1.93108 1.95813 Alpha virt. eigenvalues -- 1.96268 1.97620 1.98009 1.98669 2.00258 Alpha virt. eigenvalues -- 2.02546 2.04895 2.08352 2.11789 2.13519 Alpha virt. eigenvalues -- 2.15502 2.19810 2.22445 2.23512 2.24488 Alpha virt. eigenvalues -- 2.26002 2.28220 2.29681 2.33418 2.34332 Alpha virt. eigenvalues -- 2.35327 2.37640 2.40064 2.41131 2.41729 Alpha virt. eigenvalues -- 2.42930 2.43467 2.44950 2.46846 2.47399 Alpha virt. eigenvalues -- 2.49674 2.50552 2.51209 2.52495 2.54451 Alpha virt. eigenvalues -- 2.54771 2.56013 2.58483 2.59957 2.61336 Alpha virt. eigenvalues -- 2.63183 2.64700 2.68062 2.69326 2.70419 Alpha virt. eigenvalues -- 2.73499 2.74580 2.76144 2.77644 2.78962 Alpha virt. eigenvalues -- 2.79832 2.82388 2.83091 2.84058 2.86152 Alpha virt. eigenvalues -- 2.86743 2.89980 2.91537 2.93527 2.96537 Alpha virt. eigenvalues -- 3.00095 3.01342 3.03022 3.04507 3.08907 Alpha virt. eigenvalues -- 3.09615 3.11595 3.15824 3.15903 3.18763 Alpha virt. eigenvalues -- 3.26638 3.26927 3.32261 3.37427 3.41144 Alpha virt. eigenvalues -- 3.41770 3.45559 3.46860 3.50060 3.53278 Alpha virt. eigenvalues -- 3.56615 3.59055 3.61241 3.69176 3.71529 Alpha virt. eigenvalues -- 4.13726 4.21916 4.39183 4.40609 4.56419 Alpha virt. eigenvalues -- 4.58648 4.66166 4.69882 4.75314 4.82573 Alpha virt. eigenvalues -- 4.90978 5.05506 5.08394 5.10511 5.18887 Alpha virt. eigenvalues -- 5.36713 5.41473 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 P 12.273147 0.592349 0.562375 0.231941 0.276995 -0.031254 2 O 0.592349 8.446983 -0.067418 -0.039568 -0.053943 -0.000604 3 O 0.562375 -0.067418 8.549353 -0.043545 -0.094783 0.001874 4 O 0.231941 -0.039568 -0.043545 8.394366 -0.036835 0.001601 5 C 0.276995 -0.053943 -0.094783 -0.036835 5.426709 0.375140 6 H -0.031254 -0.000604 0.001874 0.001601 0.375140 0.487643 7 C -0.027797 -0.005183 -0.024512 -0.002314 0.626801 -0.050301 8 H -0.011334 0.000247 0.028272 0.000287 -0.014206 0.002279 9 C -0.000058 -0.000029 0.005152 0.000012 -0.093134 0.001675 10 H -0.000253 -0.000000 -0.000031 -0.000004 -0.002373 0.000252 11 O -0.000020 0.000000 -0.000010 0.000000 0.004288 0.000073 12 C -0.000055 -0.000000 -0.000004 0.000000 0.000266 -0.000030 13 H -0.000002 0.000000 -0.000000 -0.000000 0.000047 0.000003 14 C 0.000005 0.000000 0.000000 -0.000000 -0.000019 0.000000 15 C -0.001320 -0.000034 -0.000071 0.000001 -0.009850 -0.004124 16 H -0.000039 -0.000028 -0.000002 0.000002 0.000276 -0.002105 17 C 0.000924 0.000014 -0.000038 -0.000000 -0.001434 0.000327 18 H -0.000060 -0.000016 0.000119 0.000000 0.000826 0.000093 19 H -0.000036 0.000000 -0.000001 -0.000000 0.000009 0.000002 20 O -0.000036 -0.000000 0.000000 0.000000 0.000178 0.000060 21 H -0.000000 -0.000000 -0.000000 -0.000000 0.000000 0.000000 22 H -0.000004 0.000000 -0.000001 0.000000 0.000012 0.000000 23 H -0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 24 P 0.000150 0.000001 0.000002 -0.000001 -0.000162 0.000239 25 O 0.000000 -0.000000 -0.000000 -0.000000 -0.000000 0.000001 26 O 0.000034 0.000000 0.000000 -0.000000 0.000448 0.001438 27 O -0.000043 0.000000 -0.000000 0.000000 -0.000793 0.002142 28 H 0.000002 -0.000000 -0.000000 0.000000 0.000031 -0.000046 29 H -0.019056 0.001472 -0.003141 0.251471 0.009615 0.000155 7 8 9 10 11 12 1 P -0.027797 -0.011334 -0.000058 -0.000253 -0.000020 -0.000055 2 O -0.005183 0.000247 -0.000029 -0.000000 0.000000 -0.000000 3 O -0.024512 0.028272 0.005152 -0.000031 -0.000010 -0.000004 4 O -0.002314 0.000287 0.000012 -0.000004 0.000000 0.000000 5 C 0.626801 -0.014206 -0.093134 -0.002373 0.004288 0.000266 6 H -0.050301 0.002279 0.001675 0.000252 0.000073 -0.000030 7 C 5.261491 0.356914 0.194736 -0.038930 -0.034422 0.001081 8 H 0.356914 0.369869 -0.029839 0.001461 0.001122 0.000228 9 C 0.194736 -0.029839 5.167804 0.374292 0.179398 -0.068697 10 H -0.038930 0.001461 0.374292 0.353919 -0.013179 0.001364 11 O -0.034422 0.001122 0.179398 -0.013179 8.520841 0.217851 12 C 0.001081 0.000228 -0.068697 0.001364 0.217851 4.813767 13 H -0.000168 0.000034 0.000527 0.000107 -0.037515 0.411840 14 C -0.000006 -0.000101 0.003614 -0.000052 -0.036491 0.342060 15 C -0.081651 0.003043 0.376659 -0.015812 -0.037408 -0.085335 16 H -0.000004 0.000001 -0.037202 0.000656 0.001926 0.006431 17 C -0.017325 -0.001270 -0.098130 0.003937 -0.050600 0.346494 18 H 0.000497 0.000076 -0.005242 0.000049 0.001247 -0.032248 19 H -0.000004 0.000030 0.007140 -0.000042 0.002470 -0.030467 20 O 0.005665 -0.000072 -0.058054 -0.000820 0.002584 -0.018479 21 H 0.000001 0.000004 -0.000157 0.000002 0.002151 -0.033337 22 H 0.000004 0.000171 -0.000131 0.000004 0.002445 -0.032072 23 H 0.000008 -0.000001 -0.000058 -0.000003 -0.000040 -0.037880 24 P 0.000372 -0.000103 -0.007688 -0.007157 0.003613 -0.002675 25 O -0.000002 -0.000000 -0.000483 0.000070 0.000002 -0.000011 26 O 0.000597 -0.000026 -0.032411 0.022349 0.000165 -0.000235 27 O 0.000142 0.000001 -0.000311 0.000491 -0.000003 -0.000009 28 H -0.000016 -0.000000 0.000016 -0.000025 0.000000 0.000008 29 H -0.000057 0.000014 0.000018 -0.000012 0.000000 0.000000 13 14 15 16 17 18 1 P -0.000002 0.000005 -0.001320 -0.000039 0.000924 -0.000060 2 O 0.000000 0.000000 -0.000034 -0.000028 0.000014 -0.000016 3 O -0.000000 0.000000 -0.000071 -0.000002 -0.000038 0.000119 4 O -0.000000 -0.000000 0.000001 0.000002 -0.000000 0.000000 5 C 0.000047 -0.000019 -0.009850 0.000276 -0.001434 0.000826 6 H 0.000003 0.000000 -0.004124 -0.002105 0.000327 0.000093 7 C -0.000168 -0.000006 -0.081651 -0.000004 -0.017325 0.000497 8 H 0.000034 -0.000101 0.003043 0.000001 -0.001270 0.000076 9 C 0.000527 0.003614 0.376659 -0.037202 -0.098130 -0.005242 10 H 0.000107 -0.000052 -0.015812 0.000656 0.003937 0.000049 11 O -0.037515 -0.036491 -0.037408 0.001926 -0.050600 0.001247 12 C 0.411840 0.342060 -0.085335 0.006431 0.346494 -0.032248 13 H 0.541733 -0.054396 -0.006463 0.000035 -0.050392 0.003546 14 C -0.054396 5.133285 0.005858 -0.000014 -0.050041 -0.004299 15 C -0.006463 0.005858 5.026611 0.411144 0.339035 -0.034203 16 H 0.000035 -0.000014 0.411144 0.468517 -0.028605 -0.000508 17 C -0.050392 -0.050041 0.339035 -0.028605 5.270363 0.395891 18 H 0.003546 -0.004299 -0.034203 -0.000508 0.395891 0.478544 19 H 0.001492 -0.001418 -0.028240 -0.001880 0.373986 -0.021942 20 O -0.001125 0.000582 0.127316 -0.038297 -0.049897 0.002253 21 H 0.001267 0.373313 -0.000075 -0.000003 -0.003137 0.000434 22 H 0.004194 0.377125 -0.000127 -0.000004 -0.004717 0.002207 23 H -0.003225 0.386570 -0.000243 0.000002 0.004785 -0.000053 24 P -0.002163 0.000089 -0.029287 -0.013376 -0.001022 0.000088 25 O -0.000045 -0.000000 0.000639 -0.000083 -0.000018 0.000000 26 O 0.000043 -0.000000 -0.004614 -0.002987 0.000342 0.000003 27 O -0.000010 0.000000 -0.014564 0.010371 -0.000054 -0.000002 28 H 0.000000 -0.000000 -0.000245 -0.000681 -0.000017 -0.000001 29 H 0.000000 -0.000000 0.000005 0.000002 -0.000000 0.000000 19 20 21 22 23 24 1 P -0.000036 -0.000036 -0.000000 -0.000004 -0.000000 0.000150 2 O 0.000000 -0.000000 -0.000000 0.000000 -0.000000 0.000001 3 O -0.000001 0.000000 -0.000000 -0.000001 0.000000 0.000002 4 O -0.000000 0.000000 -0.000000 0.000000 -0.000000 -0.000001 5 C 0.000009 0.000178 0.000000 0.000012 -0.000000 -0.000162 6 H 0.000002 0.000060 0.000000 0.000000 -0.000000 0.000239 7 C -0.000004 0.005665 0.000001 0.000004 0.000008 0.000372 8 H 0.000030 -0.000072 0.000004 0.000171 -0.000001 -0.000103 9 C 0.007140 -0.058054 -0.000157 -0.000131 -0.000058 -0.007688 10 H -0.000042 -0.000820 0.000002 0.000004 -0.000003 -0.007157 11 O 0.002470 0.002584 0.002151 0.002445 -0.000040 0.003613 12 C -0.030467 -0.018479 -0.033337 -0.032072 -0.037880 -0.002675 13 H 0.001492 -0.001125 0.001267 0.004194 -0.003225 -0.002163 14 C -0.001418 0.000582 0.373313 0.377125 0.386570 0.000089 15 C -0.028240 0.127316 -0.000075 -0.000127 -0.000243 -0.029287 16 H -0.001880 -0.038297 -0.000003 -0.000004 0.000002 -0.013376 17 C 0.373986 -0.049897 -0.003137 -0.004717 0.004785 -0.001022 18 H -0.021942 0.002253 0.000434 0.002207 -0.000053 0.000088 19 H 0.560710 0.001116 0.000819 0.000376 -0.000131 0.000100 20 O 0.001116 8.608250 -0.000001 -0.000021 0.000013 0.260550 21 H 0.000819 -0.000001 0.593439 -0.026309 -0.030630 -0.000006 22 H 0.000376 -0.000021 -0.026309 0.545000 -0.027068 -0.000006 23 H -0.000131 0.000013 -0.030630 -0.027068 0.568982 0.000005 24 P 0.000100 0.260550 -0.000006 -0.000006 0.000005 11.853429 25 O -0.000002 -0.030909 0.000000 0.000000 0.000000 0.647322 26 O 0.000002 -0.038200 -0.000000 -0.000000 0.000000 0.609380 27 O 0.000009 -0.041710 0.000000 -0.000000 -0.000000 0.294338 28 H -0.000006 0.001041 -0.000000 0.000000 0.000000 0.001395 29 H -0.000000 -0.000000 -0.000000 0.000000 -0.000000 -0.000000 25 26 27 28 29 1 P 0.000000 0.000034 -0.000043 0.000002 -0.019056 2 O -0.000000 0.000000 0.000000 -0.000000 0.001472 3 O -0.000000 0.000000 -0.000000 -0.000000 -0.003141 4 O -0.000000 -0.000000 0.000000 0.000000 0.251471 5 C -0.000000 0.000448 -0.000793 0.000031 0.009615 6 H 0.000001 0.001438 0.002142 -0.000046 0.000155 7 C -0.000002 0.000597 0.000142 -0.000016 -0.000057 8 H -0.000000 -0.000026 0.000001 -0.000000 0.000014 9 C -0.000483 -0.032411 -0.000311 0.000016 0.000018 10 H 0.000070 0.022349 0.000491 -0.000025 -0.000012 11 O 0.000002 0.000165 -0.000003 0.000000 0.000000 12 C -0.000011 -0.000235 -0.000009 0.000008 0.000000 13 H -0.000045 0.000043 -0.000010 0.000000 0.000000 14 C -0.000000 -0.000000 0.000000 -0.000000 -0.000000 15 C 0.000639 -0.004614 -0.014564 -0.000245 0.000005 16 H -0.000083 -0.002987 0.010371 -0.000681 0.000002 17 C -0.000018 0.000342 -0.000054 -0.000017 -0.000000 18 H 0.000000 0.000003 -0.000002 -0.000001 0.000000 19 H -0.000002 0.000002 0.000009 -0.000006 -0.000000 20 O -0.030909 -0.038200 -0.041710 0.001041 -0.000000 21 H 0.000000 -0.000000 0.000000 -0.000000 -0.000000 22 H 0.000000 -0.000000 -0.000000 0.000000 0.000000 23 H 0.000000 0.000000 -0.000000 0.000000 -0.000000 24 P 0.647322 0.609380 0.294338 0.001395 -0.000000 25 O 8.251494 -0.053882 -0.038969 -0.001459 -0.000000 26 O -0.053882 8.392606 -0.069117 0.002646 0.000000 27 O -0.038969 -0.069117 8.363440 0.245955 0.000000 28 H -0.001459 0.002646 0.245955 0.319431 -0.000000 29 H -0.000000 0.000000 0.000000 -0.000000 0.337421 Mulliken charges: 1 1 P 1.153445 2 O -0.874245 3 O -0.913592 4 O -0.757415 5 C -0.414109 6 H 0.213465 7 C -0.165616 8 H 0.292897 9 C 0.120580 10 H 0.319741 11 O -0.730488 12 C 0.200145 13 H 0.190635 14 C -0.475665 15 C 0.063353 16 H 0.226454 17 C -0.379399 18 H 0.212700 19 H 0.135906 20 O -0.731987 21 H 0.122224 22 H 0.158922 23 H 0.138967 24 P 1.392572 25 O -0.773666 26 O -0.828583 27 O -0.751303 28 H 0.431969 29 H 0.422094 Sum of Mulliken charges = -2.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 P 1.153445 2 O -0.874245 3 O -0.913592 4 O -0.335321 5 C -0.200644 7 C 0.127281 9 C 0.440321 11 O -0.730488 12 C 0.390780 14 C -0.055553 15 C 0.289807 17 C -0.030793 20 O -0.731987 24 P 1.392572 25 O -0.773666 26 O -0.828583 27 O -0.319334 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147270382 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.58D+01 NSMCal= 4465 NSMKep= 3735 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 37. PRISM was handed 2146922730 working-precision words and 3735 shell-pairs IPart= 0 NShTot= 3735 NBatch= 68 AvBLen= 54.9 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 38. Electronic moments (au): -150.00000000 3.21848243 1.68346604 0.67180700 -3353.20166481 -1557.60009202 -422.91057683 14.75167914 21.09238174 0.62988534 5759.77158474 -3750.26275363 -148.11185592 -3025.68901697 3958.26697009 -243.19025436 253.78531376 18.57889066 -46.54535639 -46.86907033 -135983.99600641 -49538.51284412 -3389.73991028 3537.36493593 2369.81837983 -8137.90047498 -351.51612238 1332.04127126 -122.91734478 -24784.21258217 -8795.94216539 -4102.21938917 -519.66039856 -1248.30860544 -563.86502558 Electronic spatial extent (au): = 5333.7123 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 148.00000000 -0.00000000 -0.00000000 0.00000000 3165.98302240 1453.27211994 329.08235933 0.00000000 0.00000000 0.00000000 -5492.63728055 3730.82784466 142.93253587 2996.97029729 -3863.25576155 195.13599126 -213.06657616 -40.36828895 74.26629365 -6.67574062 119151.57229575 43636.16598537 1985.58144332 -2933.62237392 -1681.51601846 8150.90393826 297.77136710 -984.11891037 92.02744016 21407.17407880 6419.08589714 2951.49625568 557.80229245 1389.45720240 511.00797211 Total moments (au): -2.00000000 3.21848243 1.68346604 0.67180700 -187.21864241 -104.32797207 -93.82821750 14.75167914 21.09238174 0.62988534 267.13430419 -19.43490897 -5.17932005 -28.71871968 95.01120854 -48.05426310 40.71873759 -21.78939830 27.72093726 -53.54481095 -16832.42371066 -5902.34685875 -1404.15846696 603.74256201 688.30236137 13.00346328 -53.74475528 347.92236089 -30.88990463 -3377.03850337 -2376.85626826 -1150.72313349 38.14189389 141.14859696 -52.85705347 Traceless Quadrup. (au): -58.76036508 24.13030526 34.63005983 14.75167914 21.09238174 0.62988534 Charge= -2.0000 electrons Dipole moment (field-independent basis, Debye): X= 8.1806 Y= 4.2789 Z= 1.7076 Tot= 9.3887 Quadrupole moment (field-independent basis, Debye-Ang): XX= -251.8155 YY= -140.3247 ZZ= -126.2022 XY= 19.8415 XZ= 28.3700 YZ= 0.8472 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -79.0347 YY= 32.4561 ZZ= 46.5786 XY= 19.8415 XZ= 28.3700 YZ= 0.8472 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 190.1359 YYY= -13.8330 ZZZ= -3.6864 XYY= -20.4409 XXY= 67.6253 XXZ= -34.2032 XZZ= 28.9820 YZZ= -15.5089 YYZ= 19.7307 XYZ= -38.1111 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -6339.8979 YYYY= -2223.1069 ZZZZ= -528.8734 XXXY= 227.3984 XXXZ= 259.2477 YYYX= 4.8977 YYYZ= -20.2429 ZZZX= 131.0442 ZZZY= -11.6346 XXYY= -1271.9546 XXZZ= -895.2380 YYZZ= -433.4175 XXYZ= 14.3661 YYXZ= 53.1633 ZZXY= -19.9085 N-N= 1.703990499353D+03 E-N=-7.128381457510D+03 KE= 1.552041214602D+03 Entering OneElI... OneElI was handed 2147310669 working-precision words. Calculate electrostatic properties NBasis = 287 MinDer = 0 MaxDer = 0 NGrid = 29 NMatD = 1 Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.58D+01 NSMCal= 4465 NSMKep= 3388 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 81. PRISM was handed 178815383 working-precision words and 3388 shell-pairs PRISM was handed 178815383 working-precision words and 3388 shell-pairs PRISM was handed 178815383 working-precision words and 3388 shell-pairs PRISM was handed 178815383 working-precision words and 3388 shell-pairs PRISM was handed 178815383 working-precision words and 3388 shell-pairs PRISM was handed 178815383 working-precision words and 3388 shell-pairs PRISM was handed 178815383 working-precision words and 3388 shell-pairs PRISM was handed 178815383 working-precision words and 3388 shell-pairs PRISM was handed 178815383 working-precision words and 3388 shell-pairs PRISM was handed 178815383 working-precision words and 3388 shell-pairs PRISM was handed 178815383 working-precision words and 3388 shell-pairs PRISM was handed 178815383 working-precision words and 3388 shell-pairs IPart= 9 NShTot= 7801 NBatch= 269 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 3 NShTot= 8381 NBatch= 289 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 4 NShTot= 8294 NBatch= 286 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 8 NShTot= 7859 NBatch= 271 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 1 NShTot= 8758 NBatch= 302 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 6 NShTot= 8120 NBatch= 280 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 0 NShTot= 9135 NBatch= 315 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 10 NShTot= 7685 NBatch= 265 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 2 NShTot= 8497 NBatch= 293 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 11 NShTot= 7656 NBatch= 264 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 7 NShTot= 7946 NBatch= 274 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 5 NShTot= 8120 NBatch= 280 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 973. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.710243 -0.469723 -0.240520 2 Atom 0.137383 0.610698 -0.748081 3 Atom 0.455711 -0.838519 0.382808 4 Atom 0.336912 0.799758 -1.136670 5 Atom 0.199086 -0.052695 -0.146391 6 Atom 0.016299 -0.180146 0.163847 7 Atom 0.297339 0.239128 -0.536467 8 Atom 0.055479 -0.196380 0.140901 9 Atom 0.155490 -0.267147 0.111657 10 Atom 0.132313 -0.086636 -0.045676 11 Atom 1.222695 -0.815681 -0.407014 12 Atom 0.182057 0.044198 -0.226256 13 Atom -0.238369 0.107116 0.131253 14 Atom 0.003126 0.025769 -0.028895 15 Atom -0.304865 0.150988 0.153877 16 Atom 0.049269 -0.081951 0.032682 17 Atom 0.024009 0.017961 -0.041970 18 Atom -0.260485 0.120328 0.140156 19 Atom 0.081325 0.142154 -0.223479 20 Atom -1.023812 -0.084105 1.107917 21 Atom 0.082719 0.097372 -0.180091 22 Atom -0.250744 0.105977 0.144767 23 Atom 0.031514 0.070731 -0.102245 24 Atom 0.706135 -0.776437 0.070302 25 Atom -0.520141 0.177249 0.342892 26 Atom 0.171835 0.269063 -0.440898 27 Atom 0.511136 0.835085 -1.346221 28 Atom 0.078750 0.184286 -0.263036 29 Atom 0.034702 0.165463 -0.200164 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.348835 -0.387586 -0.295917 2 Atom 0.063888 0.686992 -0.300831 3 Atom 0.396077 -0.229646 0.303539 4 Atom -0.351913 0.785528 -0.783222 5 Atom 0.042168 -0.068881 -0.057649 6 Atom 0.214591 -0.053604 0.086945 7 Atom -0.068220 -0.105636 -0.298442 8 Atom 0.222671 -0.058567 0.086355 9 Atom -0.273617 0.036723 0.298852 10 Atom 0.034537 0.048300 -0.200875 11 Atom -1.441885 -0.675479 -0.324836 12 Atom -0.093869 -0.155753 -0.142753 13 Atom 0.096906 -0.025649 0.005392 14 Atom -0.006418 -0.004553 -0.004631 15 Atom 0.117346 0.033618 -0.043495 16 Atom -0.125645 0.087310 0.158300 17 Atom -0.020242 -0.002803 -0.008156 18 Atom 0.103652 0.005994 -0.009328 19 Atom -0.031019 -0.166723 -0.067338 20 Atom 0.752952 0.285006 -0.476175 21 Atom -0.054120 -0.147339 -0.120775 22 Atom 0.120091 -0.022759 0.008499 23 Atom -0.091141 0.169961 0.135715 24 Atom -0.141795 0.416610 0.070709 25 Atom 0.363516 0.297469 -0.057136 26 Atom -0.169965 -0.451299 -0.238380 27 Atom -0.488659 -0.629814 0.451197 28 Atom -0.027451 -0.212239 -0.001405 29 Atom -0.000998 0.214787 -0.052683 -------------------------------------------------------- --------------------------------------------------------------------------------- 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 Tue Apr 23 22:52:08 2024, MaxMem= 2147483648 cpu: 10.9 elap: 1.3 FitSet: NAtFit= 29 NAtPot= 29 NAtFrz= 0 MDM= 33 TotChg= -2.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 15 1.80 2 8 1.40 3 8 1.40 4 8 1.40 5 6 1.50 6 1 1.20 7 6 1.50 8 1 1.20 9 6 1.50 10 1 1.20 11 8 1.40 12 6 1.50 13 1 1.20 14 6 1.50 15 6 1.50 16 1 1.20 17 6 1.50 18 1 1.20 19 1 1.20 20 8 1.40 21 1 1.20 22 1 1.20 23 1 1.20 24 15 1.80 25 8 1.40 26 8 1.40 27 8 1.40 28 1 1.20 29 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 -3.151334 -0.485849 0.090546 Atomic Center 2 is at -3.750271 -0.535602 1.539521 Atomic Center 3 is at -3.556968 0.894324 -0.454537 Atomic Center 4 is at -3.876671 -1.575068 -0.741537 Atomic Center 5 is at -1.676944 -0.555215 -0.082187 Atomic Center 6 is at -1.115900 -1.440473 0.127587 Atomic Center 7 is at -1.115616 0.549551 -0.553336 Atomic Center 8 is at -1.691978 1.407770 -0.758835 Atomic Center 9 is at 0.281611 0.523596 -0.769132 Atomic Center 10 is at 0.454454 -0.312803 -1.429675 Atomic Center 11 is at 0.859099 1.845731 -1.218053 Atomic Center 12 is at 1.407161 2.423352 0.026989 Atomic Center 13 is at 2.456076 2.098193 0.098589 Atomic Center 14 is at 1.320983 3.962035 0.097309 Atomic Center 15 is at 0.881938 0.295711 0.600901 Atomic Center 16 is at 0.436938 -0.535030 1.162137 Atomic Center 17 is at 0.647967 1.697484 1.167166 Atomic Center 18 is at -0.413929 1.956028 1.189587 Atomic Center 19 is at 1.077887 1.872776 2.155345 Atomic Center 20 is at 2.213396 0.059352 0.493509 Atomic Center 21 is at 1.746136 4.314210 1.050805 Atomic Center 22 is at 0.266540 4.270648 0.032239 Atomic Center 23 is at 1.884478 4.403875 -0.739594 Atomic Center 24 is at 2.526613 -1.398361 -0.042527 Atomic Center 25 is at 3.929179 -1.708056 -0.113844 Atomic Center 26 is at 1.802688 -1.614937 -1.269635 Atomic Center 27 is at 1.745667 -2.275315 0.921202 Atomic Center 28 is at 2.200242 -2.231825 1.812498 Atomic Center 29 is at -3.341677 -1.642737 -1.600241 ESP Fit Center 30 is at -1.603518 -0.485849 2.079180 ESP Fit Center 31 is at -1.660915 -0.068253 2.079180 ESP Fit Center 32 is at -1.828850 0.318372 2.079180 ESP Fit Center 33 is at -2.094867 0.645351 2.079180 ESP Fit Center 34 is at -2.439238 0.888434 2.079180 ESP Fit Center 35 is at -2.094867 -1.617048 2.079180 ESP Fit Center 36 is at -1.828850 -1.290069 2.079180 ESP Fit Center 37 is at -1.660915 -0.903445 2.079180 ESP Fit Center 38 is at -1.731069 0.705895 1.797296 ESP Fit Center 39 is at -2.044188 1.001307 1.797296 ESP Fit Center 40 is at -2.416993 1.216546 1.797296 ESP Fit Center 41 is at -2.829386 1.340009 1.797296 ESP Fit Center 42 is at -3.259136 1.365039 1.797296 ESP Fit Center 43 is at -2.829386 -2.311706 1.797296 ESP Fit Center 44 is at -2.416993 -2.188244 1.797296 ESP Fit Center 45 is at -2.044188 -1.973005 1.797296 ESP Fit Center 46 is at -1.731069 -1.677593 1.797296 ESP Fit Center 47 is at -2.035400 1.304502 1.468855 ESP Fit Center 48 is at -2.418638 1.492489 1.468855 ESP Fit Center 49 is at -2.831873 1.599483 1.468855 ESP Fit Center 50 is at -3.258187 1.621103 1.468855 ESP Fit Center 51 is at -3.680126 1.556464 1.468855 ESP Fit Center 52 is at -4.080416 1.408213 1.468855 ESP Fit Center 53 is at -3.680126 -2.528162 1.468855 ESP Fit Center 54 is at -3.258187 -2.592801 1.468855 ESP Fit Center 55 is at -2.831873 -2.571180 1.468855 ESP Fit Center 56 is at -2.418638 -2.464186 1.468855 ESP Fit Center 57 is at -2.035400 -2.276199 1.468855 ESP Fit Center 58 is at -2.122682 1.579963 1.102818 ESP Fit Center 59 is at -2.519789 1.733803 1.102818 ESP Fit Center 60 is at -4.856781 1.068872 1.102818 ESP Fit Center 61 is at -4.542063 -2.327472 1.102818 ESP Fit Center 62 is at -4.179986 -2.551661 1.102818 ESP Fit Center 63 is at -3.782880 -2.705501 1.102818 ESP Fit Center 64 is at -3.364266 -2.783753 1.102818 ESP Fit Center 65 is at -2.938402 -2.783753 1.102818 ESP Fit Center 66 is at -2.519789 -2.705501 1.102818 ESP Fit Center 67 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-3.008602 ESP Fit Center 679 is at 0.859099 2.642935 -3.008602 ESP Fit Center 680 is at 0.460497 2.536130 -3.008602 ESP Fit Center 681 is at 0.168700 2.244333 -3.008602 ESP Fit Center 682 is at 0.061895 1.845731 -3.008602 ESP Fit Center 683 is at 0.168700 1.447129 -3.008602 ESP Fit Center 684 is at 0.460497 1.155332 -3.008602 ESP Fit Center 685 is at 0.859099 1.048527 -3.008602 ESP Fit Center 686 is at 1.257701 1.155332 -3.008602 ESP Fit Center 687 is at 1.549498 1.447129 -3.008602 ESP Fit Center 688 is at 1.266606 1.845731 -3.135223 ESP Fit Center 689 is at 1.062853 2.198642 -3.135223 ESP Fit Center 690 is at 0.655346 2.198642 -3.135223 ESP Fit Center 691 is at 0.451592 1.845731 -3.135223 ESP Fit Center 692 is at 0.655346 1.492820 -3.135223 ESP Fit Center 693 is at 1.062853 1.492820 -3.135223 ESP Fit Center 694 is at 0.859099 1.845731 -3.178053 ESP Fit Center 695 is at 2.495074 2.844812 1.773075 ESP Fit Center 696 is at 2.831936 2.841704 -1.457935 ESP Fit Center 697 is at 2.495074 2.844812 -1.719097 ESP Fit Center 698 is at 2.890892 2.098193 1.721345 ESP Fit Center 699 is at 2.673484 2.474755 1.721345 ESP Fit Center 700 is at 3.296076 2.098193 1.553512 ESP Fit Center 701 is at 3.183538 2.518193 1.553512 ESP Fit Center 702 is at 2.876076 2.825654 1.553512 ESP Fit Center 703 is at 3.183538 1.678193 1.553512 ESP Fit Center 704 is at 3.644016 2.098193 1.286529 ESP Fit Center 705 is at 3.563797 2.527326 1.286529 ESP Fit Center 706 is at 3.333974 2.898502 1.286529 ESP Fit Center 707 is at 2.985586 3.161593 1.286529 ESP Fit Center 708 is at 3.563797 1.669060 1.286529 ESP Fit Center 709 is at 3.910999 2.098193 0.938589 ESP Fit Center 710 is at 3.846361 2.527039 0.938589 ESP Fit Center 711 is at 3.658190 2.917780 0.938589 ESP Fit Center 712 is at 3.363206 3.235697 0.938589 ESP Fit Center 713 is at 3.846361 1.669347 0.938589 ESP Fit Center 714 is at 4.078832 2.098193 0.533405 ESP Fit Center 715 is at 4.023538 2.518193 0.533405 ESP Fit Center 716 is at 3.861424 2.909571 0.533405 ESP Fit Center 717 is at 3.603538 3.245654 0.533405 ESP Fit Center 718 is at 3.861424 1.286815 0.533405 ESP Fit Center 719 is at 4.023538 1.678193 0.533405 ESP Fit Center 720 is at 4.136076 2.098193 0.098589 ESP Fit Center 721 is at 4.083296 2.515992 0.098589 ESP Fit Center 722 is at 3.928272 2.907539 0.098589 ESP Fit Center 723 is at 3.680744 3.248232 0.098589 ESP Fit Center 724 is at 3.928272 1.288847 0.098589 ESP Fit Center 725 is at 4.083296 1.680394 0.098589 ESP Fit Center 726 is at 4.078832 2.098193 -0.336227 ESP Fit Center 727 is at 4.023538 2.518193 -0.336227 ESP Fit Center 728 is at 3.861424 2.909571 -0.336227 ESP Fit Center 729 is at 3.603538 3.245654 -0.336227 ESP Fit Center 730 is at 3.861424 1.286815 -0.336227 ESP Fit Center 731 is at 4.023538 1.678193 -0.336227 ESP Fit Center 732 is at 3.910999 2.098193 -0.741411 ESP Fit Center 733 is at 3.846361 2.527039 -0.741411 ESP Fit Center 734 is at 3.658190 2.917780 -0.741411 ESP Fit Center 735 is at 3.363206 3.235697 -0.741411 ESP Fit Center 736 is at 3.658190 1.278606 -0.741411 ESP Fit Center 737 is at 3.846361 1.669347 -0.741411 ESP Fit Center 738 is at 3.644016 2.098193 -1.089350 ESP Fit Center 739 is at 3.563797 2.527326 -1.089350 ESP Fit Center 740 is at 3.333974 2.898502 -1.089350 ESP Fit Center 741 is at 2.985586 1.034793 -1.089350 ESP Fit Center 742 is at 3.333974 1.297883 -1.089350 ESP Fit Center 743 is at 3.563797 1.669060 -1.089350 ESP Fit Center 744 is at 3.296076 2.098193 -1.356333 ESP Fit Center 745 is at 3.183538 2.518193 -1.356333 ESP Fit Center 746 is at 2.876076 1.370732 -1.356333 ESP Fit Center 747 is at 3.183538 1.678193 -1.356333 ESP Fit Center 748 is at 2.890892 2.098193 -1.524166 ESP Fit Center 749 is at 0.174151 4.176415 1.843395 ESP Fit Center 750 is at 0.174151 3.747655 1.843395 ESP Fit Center 751 is at 0.348564 5.084266 1.582233 ESP Fit Center 752 is at 1.007102 5.876624 0.900944 ESP Fit Center 753 is at 0.602860 5.764387 0.900944 ESP Fit Center 754 is at 3.380632 3.962035 0.506999 ESP Fit Center 755 is at 3.338471 4.376640 0.506999 ESP Fit Center 756 is at 2.036310 5.893476 0.506999 ESP Fit Center 757 is at 1.632871 5.997933 0.506999 ESP Fit Center 758 is at 1.216663 6.019041 0.506999 ESP Fit Center 759 is at 0.804727 5.955934 0.506999 ESP Fit Center 760 is at 3.338471 3.547431 0.506999 ESP Fit Center 761 is at 3.420983 3.962035 0.097309 ESP Fit Center 762 is at 3.380632 4.371725 0.097309 ESP Fit Center 763 is at 2.124618 5.902182 0.097309 ESP Fit Center 764 is at 1.730673 6.021684 0.097309 ESP Fit Center 765 is at 1.320983 6.062035 0.097309 ESP Fit Center 766 is at 0.911293 6.021684 0.097309 ESP Fit Center 767 is at 3.380632 3.552346 0.097309 ESP Fit Center 768 is at 1.216663 6.019041 -0.312381 ESP Fit Center 769 is at 0.804727 5.955934 -0.312381 ESP Fit Center 770 is at 3.338471 3.547431 -0.312381 ESP Fit Center 771 is at 1.007102 5.876624 -0.706326 ESP Fit Center 772 is at 0.602860 5.764387 -0.706326 ESP Fit Center 773 is at 0.701812 5.594654 -1.069389 ESP Fit Center 774 is at 0.329037 4.576222 -1.648777 ESP Fit Center 775 is at 0.174151 4.176415 -1.648777 ESP Fit Center 776 is at 0.174151 3.747655 -1.648777 ESP Fit Center 777 is at 0.517348 3.962035 -1.842838 ESP Fit Center 778 is at 1.086783 -0.059091 2.660550 ESP Fit Center 779 is at 1.685573 0.295711 2.541048 ESP Fit Center 780 is at 1.577907 -0.106107 2.541048 ESP Fit Center 781 is at 1.744138 -0.490288 2.346987 ESP Fit Center 782 is at 0.436938 -0.535030 2.842137 ESP Fit Center 783 is at 0.871754 -0.535030 2.784892 ESP Fit Center 784 is at 0.654346 -0.158468 2.784892 ESP Fit Center 785 is at 0.219530 -0.158468 2.784892 ESP Fit Center 786 is at 0.002122 -0.535030 2.784892 ESP Fit Center 787 is at 0.219530 -0.911592 2.784892 ESP Fit Center 788 is at 0.654346 -0.911592 2.784892 ESP Fit Center 789 is at 1.276938 -0.535030 2.617060 ESP Fit Center 790 is at 0.016938 0.192431 2.617060 ESP Fit Center 791 is at -0.290523 -0.115030 2.617060 ESP Fit Center 792 is at -0.403062 -0.535030 2.617060 ESP Fit Center 793 is at -0.290523 -0.955030 2.617060 ESP Fit Center 794 is at 0.016938 -1.262491 2.617060 ESP Fit Center 795 is at 0.436938 -1.375030 2.617060 ESP Fit Center 796 is at 0.856938 -1.262491 2.617060 ESP Fit Center 797 is at 1.164400 -0.955030 2.617060 ESP Fit Center 798 is at -0.573068 0.090339 2.350076 ESP Fit Center 799 is at -0.730774 -0.316747 2.350076 ESP Fit Center 800 is at -0.730774 -0.753313 2.350076 ESP Fit Center 801 is at -0.573068 -1.160400 2.350076 ESP Fit Center 802 is at -0.278955 -1.483026 2.350076 ESP Fit Center 803 is at 0.111843 -1.677621 2.350076 ESP Fit Center 804 is at -0.873902 0.096237 2.002137 ESP Fit Center 805 is at -1.001734 -0.318185 2.002137 ESP Fit Center 806 is at -1.001734 -0.751875 2.002137 ESP Fit Center 807 is at -0.873902 -1.166297 2.002137 ESP Fit Center 808 is at -0.629595 -1.524629 2.002137 ESP Fit Center 809 is at -0.290523 -1.795030 2.002137 ESP Fit Center 810 is at 0.113188 -1.953475 2.002137 ESP Fit Center 811 is at -0.374439 -1.940377 1.596953 ESP Fit Center 812 is at -0.498866 1.911864 2.913252 ESP Fit Center 813 is at -0.498866 1.483104 2.913252 ESP Fit Center 814 is at -0.343980 1.083297 2.913252 ESP Fit Center 815 is at -0.055126 0.766439 2.913252 ESP Fit Center 816 is at -0.324452 2.819715 2.652090 ESP Fit Center 817 is at -0.601231 0.894673 2.652090 ESP Fit Center 818 is at -0.324452 0.575253 2.652090 ESP Fit Center 819 is at 0.031107 0.346749 2.652090 ESP Fit Center 820 is at 0.437499 3.430839 2.333864 ESP Fit Center 821 is at 0.028796 3.330103 2.333864 ESP Fit Center 822 is at -0.658998 0.539615 2.333864 ESP Fit Center 823 is at 0.334086 3.612073 1.970801 ESP Fit Center 824 is at -0.070156 3.499835 1.970801 ESP Fit Center 825 is at -0.760571 0.363246 1.970801 ESP Fit Center 826 is at -0.631337 2.332590 2.812342 ESP Fit Center 827 is at -0.848745 1.956028 2.812342 ESP Fit Center 828 is at -0.413929 2.796028 2.644510 ESP Fit Center 829 is at -0.833929 2.683490 2.644510 ESP Fit Center 830 is at -1.141390 2.376028 2.644510 ESP Fit Center 831 is at -1.253929 1.956028 2.644510 ESP Fit Center 832 is at -1.141390 1.536028 2.644510 ESP Fit Center 833 is at -0.833929 1.228567 2.644510 ESP Fit Center 834 is at -0.304320 3.138900 2.377526 ESP Fit Center 835 is at -0.739024 3.098619 2.377526 ESP Fit Center 836 is at -1.129822 2.904025 2.377526 ESP Fit Center 837 is at -1.423935 2.581398 2.377526 ESP Fit Center 838 is at -1.581641 2.174312 2.377526 ESP Fit Center 839 is at -1.581641 1.737745 2.377526 ESP Fit Center 840 is at -1.423935 1.330659 2.377526 ESP Fit Center 841 is at -1.129822 1.008032 2.377526 ESP Fit Center 842 is at -0.305202 3.406883 2.029587 ESP Fit Center 843 is at -0.737680 3.374473 2.029587 ESP Fit Center 844 is at -1.141390 3.216028 2.029587 ESP Fit Center 845 is at -1.480463 2.945627 2.029587 ESP Fit Center 846 is at -1.724769 2.587296 2.029587 ESP Fit Center 847 is at -1.852601 2.172873 2.029587 ESP Fit Center 848 is at -1.852601 1.739183 2.029587 ESP Fit Center 849 is at -1.724769 1.324761 2.029587 ESP Fit Center 850 is at -1.480463 0.966430 2.029587 ESP Fit Center 851 is at -1.141390 0.696028 2.029587 ESP Fit Center 852 is at -0.413929 3.578784 1.624403 ESP Fit Center 853 is at -0.833929 3.523490 1.624403 ESP Fit Center 854 is at -1.225307 3.361376 1.624403 ESP Fit Center 855 is at -1.561390 3.103490 1.624403 ESP Fit Center 856 is at -1.819276 2.767406 1.624403 ESP Fit Center 857 is at -1.981390 2.376028 1.624403 ESP Fit Center 858 is at -2.036684 1.956028 1.624403 ESP Fit Center 859 is at -1.981390 1.536028 1.624403 ESP Fit Center 860 is at -1.819276 1.144651 1.624403 ESP Fit Center 861 is at -1.561390 0.808567 1.624403 ESP Fit Center 862 is at -1.129238 3.476138 1.189587 ESP Fit Center 863 is at -1.484801 3.250491 1.189587 ESP Fit Center 864 is at -1.773078 2.943508 1.189587 ESP Fit Center 865 is at -1.975953 2.574478 1.189587 ESP Fit Center 866 is at -2.080682 2.166588 1.189587 ESP Fit Center 867 is at -2.080682 1.745469 1.189587 ESP Fit Center 868 is at -1.225307 3.361376 0.754771 ESP Fit Center 869 is at -1.561390 3.103490 0.754771 ESP Fit Center 870 is at -1.819276 2.767406 0.754771 ESP Fit Center 871 is at -1.981390 2.376028 0.754771 ESP Fit Center 872 is at -1.141390 3.216028 0.349587 ESP Fit Center 873 is at -1.480463 2.945627 0.349587 ESP Fit Center 874 is at -1.129822 2.904025 0.001648 ESP Fit Center 875 is at 1.077887 1.872776 3.835345 ESP Fit Center 876 is at 1.512703 1.872776 3.778100 ESP Fit Center 877 is at 1.295295 2.249338 3.778100 ESP Fit Center 878 is at 0.860479 2.249338 3.778100 ESP Fit Center 879 is at 0.643071 1.872776 3.778100 ESP Fit Center 880 is at 0.860479 1.496215 3.778100 ESP Fit Center 881 is at 1.295295 1.496215 3.778100 ESP Fit Center 882 is at 1.917887 1.872776 3.610268 ESP Fit Center 883 is at 1.805348 2.292776 3.610268 ESP Fit Center 884 is at 1.497887 2.600238 3.610268 ESP Fit Center 885 is at 1.077887 2.712776 3.610268 ESP Fit Center 886 is at 0.657887 2.600238 3.610268 ESP Fit Center 887 is at 0.350426 2.292776 3.610268 ESP Fit Center 888 is at 0.237887 1.872776 3.610268 ESP Fit Center 889 is at 0.350426 1.452776 3.610268 ESP Fit Center 890 is at 0.657887 1.145315 3.610268 ESP Fit Center 891 is at 1.077887 1.032776 3.610268 ESP Fit Center 892 is at 1.497887 1.145315 3.610268 ESP Fit Center 893 is at 1.805348 1.452776 3.610268 ESP Fit Center 894 is at 2.265826 1.872776 3.343284 ESP Fit Center 895 is at 2.185608 2.301910 3.343284 ESP Fit Center 896 is at 1.955785 2.673086 3.343284 ESP Fit Center 897 is at 1.607397 2.936176 3.343284 ESP Fit Center 898 is at 1.187496 3.055648 3.343284 ESP Fit Center 899 is at 0.752792 3.015367 3.343284 ESP Fit Center 900 is at 0.361994 2.820772 3.343284 ESP Fit Center 901 is at 0.067881 2.498146 3.343284 ESP Fit Center 902 is at -0.089825 2.091060 3.343284 ESP Fit Center 903 is at -0.089825 1.654493 3.343284 ESP Fit Center 904 is at 0.067881 1.247407 3.343284 ESP Fit Center 905 is at 0.361994 0.924780 3.343284 ESP Fit Center 906 is at 0.752792 0.730186 3.343284 ESP Fit Center 907 is at 1.187496 0.689905 3.343284 ESP Fit Center 908 is at 1.607397 0.809377 3.343284 ESP Fit Center 909 is at 1.955785 1.072467 3.343284 ESP Fit Center 910 is at 2.185608 1.443643 3.343284 ESP Fit Center 911 is at 2.532810 1.872776 2.995345 ESP Fit Center 912 is at 2.468172 2.301622 2.995345 ESP Fit Center 913 is at 2.280001 2.692363 2.995345 ESP Fit Center 914 is at 1.985016 3.010281 2.995345 ESP Fit Center 915 is at 1.609430 3.227126 2.995345 ESP Fit Center 916 is at 1.186614 3.323631 2.995345 ESP Fit Center 917 is at 0.754136 3.291221 2.995345 ESP Fit Center 918 is at 0.350426 3.132776 2.995345 ESP Fit Center 919 is at 0.011353 2.862375 2.995345 ESP Fit Center 920 is at -0.232953 2.504044 2.995345 ESP Fit Center 921 is at -0.360785 2.089621 2.995345 ESP Fit Center 922 is at 0.011353 0.883178 2.995345 ESP Fit Center 923 is at 0.350426 0.612776 2.995345 ESP Fit Center 924 is at 0.754136 0.454332 2.995345 ESP Fit Center 925 is at 1.186614 0.421922 2.995345 ESP Fit Center 926 is at 1.609430 0.518427 2.995345 ESP Fit Center 927 is at 1.985016 0.735272 2.995345 ESP Fit Center 928 is at 2.280001 1.053189 2.995345 ESP Fit Center 929 is at 2.468172 1.443930 2.995345 ESP Fit Center 930 is at 2.700642 1.872776 2.590161 ESP Fit Center 931 is at 2.645348 2.292776 2.590161 ESP Fit Center 932 is at 2.483234 2.684154 2.590161 ESP Fit Center 933 is at 2.225348 3.020238 2.590161 ESP Fit Center 934 is at 1.889265 3.278124 2.590161 ESP Fit Center 935 is at 1.497887 3.440238 2.590161 ESP Fit Center 936 is at 1.077887 3.495532 2.590161 ESP Fit Center 937 is at 0.657887 3.440238 2.590161 ESP Fit Center 938 is at 0.266509 3.278124 2.590161 ESP Fit Center 939 is at 1.889265 0.467429 2.590161 ESP Fit Center 940 is at 2.225348 0.725315 2.590161 ESP Fit Center 941 is at 2.483234 1.061399 2.590161 ESP Fit Center 942 is at 2.645348 1.452776 2.590161 ESP Fit Center 943 is at 2.757887 1.872776 2.155345 ESP Fit Center 944 is at 2.705107 2.290575 2.155345 ESP Fit Center 945 is at 2.550082 2.682123 2.155345 ESP Fit Center 946 is at 2.302554 3.022816 2.155345 ESP Fit Center 947 is at 2.550082 1.063430 2.155345 ESP Fit Center 948 is at 2.705107 1.454977 2.155345 ESP Fit Center 949 is at 2.213396 0.059352 2.453509 ESP Fit Center 950 is at 2.620902 0.059352 2.410678 ESP Fit Center 951 is at 2.417149 0.412263 2.410678 ESP Fit Center 952 is at 2.009642 0.412263 2.410678 ESP Fit Center 953 is at 2.009642 -0.293560 2.410678 ESP Fit Center 954 is at 2.417149 -0.293560 2.410678 ESP Fit Center 955 is at 3.010599 0.059352 2.284058 ESP Fit Center 956 is at 2.903794 0.457954 2.284058 ESP Fit Center 957 is at 2.611997 0.749750 2.284058 ESP Fit Center 958 is at 1.814794 -0.631047 2.284058 ESP Fit Center 959 is at 2.903794 -0.339250 2.284058 ESP Fit Center 960 is at 3.365455 0.059352 2.079182 ESP Fit Center 961 is at 3.287659 0.475523 2.079182 ESP Fit Center 962 is at 3.064777 0.835489 2.079182 ESP Fit Center 963 is at 2.726912 1.090633 2.079182 ESP Fit Center 964 is at 3.669959 0.059352 1.805005 ESP Fit Center 965 is at 3.610958 0.469713 1.805005 ESP Fit Center 966 is at 3.438735 0.846829 1.805005 ESP Fit Center 967 is at 3.167242 1.160149 1.805005 ESP Fit Center 968 is at 2.818474 1.384289 1.805005 ESP Fit Center 969 is at 3.857478 0.481480 1.473509 ESP Fit Center 970 is at 3.700847 0.877085 1.473509 ESP Fit Center 971 is at 3.450754 1.221309 1.473509 ESP Fit Center 972 is at 4.030730 0.474146 1.099182 ESP Fit Center 973 is at 3.892865 0.868142 1.099182 ESP Fit Center 974 is at 3.670785 1.221581 1.099182 ESP Fit Center 975 is at 4.117086 0.478386 0.698385 ESP Fit Center 976 is at 3.982499 0.877826 0.698385 ESP Fit Center 977 is at 3.982499 0.877826 0.288633 ESP Fit Center 978 is at 3.892865 0.868142 -0.112165 ESP Fit Center 979 is at 3.700847 0.877085 -0.486491 ESP Fit Center 980 is at 3.438735 0.846829 -0.817987 ESP Fit Center 981 is at 3.064777 0.835489 -1.092165 ESP Fit Center 982 is at 1.746136 4.314210 2.730805 ESP Fit Center 983 is at 2.180952 4.314210 2.673560 ESP Fit Center 984 is at 1.963544 4.690772 2.673560 ESP Fit Center 985 is at 1.528728 4.690772 2.673560 ESP Fit Center 986 is at 1.311320 4.314210 2.673560 ESP Fit Center 987 is at 1.528728 3.937648 2.673560 ESP Fit Center 988 is at 1.963544 3.937648 2.673560 ESP Fit Center 989 is at 2.586136 4.314210 2.505728 ESP Fit Center 990 is at 2.473597 4.734210 2.505728 ESP Fit Center 991 is at 2.166136 5.041671 2.505728 ESP Fit Center 992 is at 1.746136 5.154210 2.505728 ESP Fit Center 993 is at 1.326136 5.041671 2.505728 ESP Fit Center 994 is at 1.018674 4.734210 2.505728 ESP Fit Center 995 is at 0.906136 4.314210 2.505728 ESP Fit Center 996 is at 1.018674 3.894210 2.505728 ESP Fit Center 997 is at 1.326136 3.586749 2.505728 ESP Fit Center 998 is at 1.746136 3.474210 2.505728 ESP Fit Center 999 is at 2.166136 3.586749 2.505728 ESP Fit Center 1000 is at 2.473597 3.894210 2.505728 ESP Fit Center 1001 is at 2.934075 4.314210 2.238744 ESP Fit Center 1002 is at 2.853856 4.743343 2.238744 ESP Fit Center 1003 is at 2.624034 5.114520 2.238744 ESP Fit Center 1004 is at 2.275646 5.377610 2.238744 ESP Fit Center 1005 is at 1.855745 5.497082 2.238744 ESP Fit Center 1006 is at 1.421041 5.456801 2.238744 ESP Fit Center 1007 is at 1.030242 5.262206 2.238744 ESP Fit Center 1008 is at 0.736129 4.939580 2.238744 ESP Fit Center 1009 is at 0.578423 4.532493 2.238744 ESP Fit Center 1010 is at 0.578423 4.095927 2.238744 ESP Fit Center 1011 is at 0.736129 3.688841 2.238744 ESP Fit Center 1012 is at 2.275646 3.250810 2.238744 ESP Fit Center 1013 is at 2.624034 3.513900 2.238744 ESP Fit Center 1014 is at 2.853856 3.885077 2.238744 ESP Fit Center 1015 is at 3.201058 4.314210 1.890805 ESP Fit Center 1016 is at 3.136420 4.743056 1.890805 ESP Fit Center 1017 is at 2.948249 5.133797 1.890805 ESP Fit Center 1018 is at 2.653265 5.451714 1.890805 ESP Fit Center 1019 is at 2.277679 5.668559 1.890805 ESP Fit Center 1020 is at 1.854862 5.765064 1.890805 ESP Fit Center 1021 is at 1.422385 5.732655 1.890805 ESP Fit Center 1022 is at 1.018674 5.574210 1.890805 ESP Fit Center 1023 is at 0.679602 5.303809 1.890805 ESP Fit Center 1024 is at 0.435296 4.945477 1.890805 ESP Fit Center 1025 is at 0.307463 4.531055 1.890805 ESP Fit Center 1026 is at 2.653265 3.176706 1.890805 ESP Fit Center 1027 is at 2.948249 3.494623 1.890805 ESP Fit Center 1028 is at 3.136420 3.885364 1.890805 ESP Fit Center 1029 is at 3.368891 4.314210 1.485621 ESP Fit Center 1030 is at 3.313597 4.734210 1.485621 ESP Fit Center 1031 is at 3.151483 5.125588 1.485621 ESP Fit Center 1032 is at 2.893597 5.461671 1.485621 ESP Fit Center 1033 is at 2.557514 5.719557 1.485621 ESP Fit Center 1034 is at 2.166136 5.881671 1.485621 ESP Fit Center 1035 is at 1.746136 5.936965 1.485621 ESP Fit Center 1036 is at 1.326136 5.881671 1.485621 ESP Fit Center 1037 is at 0.934758 5.719557 1.485621 ESP Fit Center 1038 is at 0.598674 5.461671 1.485621 ESP Fit Center 1039 is at 2.893597 3.166749 1.485621 ESP Fit Center 1040 is at 3.151483 3.502832 1.485621 ESP Fit Center 1041 is at 3.313597 3.894210 1.485621 ESP Fit Center 1042 is at 3.426136 4.314210 1.050805 ESP Fit Center 1043 is at 3.373356 4.732009 1.050805 ESP Fit Center 1044 is at 3.218331 5.123556 1.050805 ESP Fit Center 1045 is at 2.970803 5.464249 1.050805 ESP Fit Center 1046 is at 2.646325 5.732681 1.050805 ESP Fit Center 1047 is at 2.265284 5.911985 1.050805 ESP Fit Center 1048 is at 1.851624 5.990895 1.050805 ESP Fit Center 1049 is at 1.431335 5.964453 1.050805 ESP Fit Center 1050 is at 1.030827 5.834319 1.050805 ESP Fit Center 1051 is at 3.218331 3.504864 1.050805 ESP Fit Center 1052 is at 3.373356 3.896411 1.050805 ESP Fit Center 1053 is at 3.368891 4.314210 0.615989 ESP Fit Center 1054 is at 3.313597 4.734210 0.615989 ESP Fit Center 1055 is at 3.151483 5.125588 0.615989 ESP Fit Center 1056 is at 2.893597 5.461671 0.615989 ESP Fit Center 1057 is at 2.557514 5.719557 0.615989 ESP Fit Center 1058 is at 2.166136 5.881671 0.615989 ESP Fit Center 1059 is at 0.049132 4.647209 1.654994 ESP Fit Center 1060 is at -0.168276 4.270648 1.654994 ESP Fit Center 1061 is at -0.153460 4.998109 1.487161 ESP Fit Center 1062 is at -0.460921 4.690648 1.487161 ESP Fit Center 1063 is at -0.573460 4.270648 1.487161 ESP Fit Center 1064 is at -0.460921 3.850648 1.487161 ESP Fit Center 1065 is at -0.058555 5.413238 1.220178 ESP Fit Center 1066 is at -0.449353 5.218644 1.220178 ESP Fit Center 1067 is at -0.743466 4.896017 1.220178 ESP Fit Center 1068 is at -0.901172 4.488931 1.220178 ESP Fit Center 1069 is at -0.901172 4.052364 1.220178 ESP Fit Center 1070 is at -0.743466 3.645278 1.220178 ESP Fit Center 1071 is at 0.375267 5.721502 0.872239 ESP Fit Center 1072 is at -0.057211 5.689092 0.872239 ESP Fit Center 1073 is at -0.460921 5.530648 0.872239 ESP Fit Center 1074 is at -0.799994 5.260246 0.872239 ESP Fit Center 1075 is at -1.044300 4.901915 0.872239 ESP Fit Center 1076 is at -1.172132 4.487492 0.872239 ESP Fit Center 1077 is at -1.172132 4.053803 0.872239 ESP Fit Center 1078 is at -1.044300 3.639380 0.872239 ESP Fit Center 1079 is at 0.266540 5.893403 0.467055 ESP Fit Center 1080 is at -0.153460 5.838109 0.467055 ESP Fit Center 1081 is at -0.544837 5.675995 0.467055 ESP Fit Center 1082 is at -0.880921 5.418109 0.467055 ESP Fit Center 1083 is at -1.138807 5.082025 0.467055 ESP Fit Center 1084 is at -1.300921 4.690648 0.467055 ESP Fit Center 1085 is at -1.356215 4.270648 0.467055 ESP Fit Center 1086 is at -1.300921 3.850648 0.467055 ESP Fit Center 1087 is at -1.138807 3.459270 0.467055 ESP Fit Center 1088 is at 0.372028 5.947332 0.032239 ESP Fit Center 1089 is at -0.048260 5.920890 0.032239 ESP Fit Center 1090 is at -0.448769 5.790757 0.032239 ESP Fit Center 1091 is at -0.804332 5.565110 0.032239 ESP Fit Center 1092 is at -1.092608 5.258127 0.032239 ESP Fit Center 1093 is at -1.295484 4.889097 0.032239 ESP Fit Center 1094 is at -1.400213 4.481207 0.032239 ESP Fit Center 1095 is at -1.400213 4.060088 0.032239 ESP Fit Center 1096 is at -1.295484 3.652198 0.032239 ESP Fit Center 1097 is at -1.092608 3.283168 0.032239 ESP Fit Center 1098 is at 0.266540 5.893403 -0.402577 ESP Fit Center 1099 is at -0.153460 5.838109 -0.402577 ESP Fit Center 1100 is at -0.544837 5.675995 -0.402577 ESP Fit Center 1101 is at -0.880921 5.418109 -0.402577 ESP Fit Center 1102 is at -1.138807 5.082025 -0.402577 ESP Fit Center 1103 is at -1.300921 4.690648 -0.402577 ESP Fit Center 1104 is at -1.356215 4.270648 -0.402577 ESP Fit Center 1105 is at -1.300921 3.850648 -0.402577 ESP Fit Center 1106 is at -1.138807 3.459270 -0.402577 ESP Fit Center 1107 is at -0.880921 3.123186 -0.402577 ESP Fit Center 1108 is at 0.375267 5.721502 -0.807761 ESP Fit Center 1109 is at -0.057211 5.689092 -0.807761 ESP Fit Center 1110 is at -0.460921 5.530648 -0.807761 ESP Fit Center 1111 is at -0.799994 5.260246 -0.807761 ESP Fit Center 1112 is at -1.044300 4.901915 -0.807761 ESP Fit Center 1113 is at -1.172132 4.487492 -0.807761 ESP Fit Center 1114 is at -1.172132 4.053803 -0.807761 ESP Fit Center 1115 is at -1.044300 3.639380 -0.807761 ESP Fit Center 1116 is at -0.799994 3.281049 -0.807761 ESP Fit Center 1117 is at 0.376149 5.453519 -1.155701 ESP Fit Center 1118 is at -0.058555 5.413238 -1.155701 ESP Fit Center 1119 is at -0.449353 5.218644 -1.155701 ESP Fit Center 1120 is at -0.743466 4.896017 -1.155701 ESP Fit Center 1121 is at -0.901172 4.488931 -1.155701 ESP Fit Center 1122 is at -0.901172 4.052364 -1.155701 ESP Fit Center 1123 is at -0.743466 3.645278 -1.155701 ESP Fit Center 1124 is at -0.449353 3.322651 -1.155701 ESP Fit Center 1125 is at 0.266540 5.110648 -1.422684 ESP Fit Center 1126 is at -0.153460 4.998109 -1.422684 ESP Fit Center 1127 is at -0.460921 4.690648 -1.422684 ESP Fit Center 1128 is at -0.573460 4.270648 -1.422684 ESP Fit Center 1129 is at -0.460921 3.850648 -1.422684 ESP Fit Center 1130 is at -0.153460 3.543186 -1.422684 ESP Fit Center 1131 is at 0.049132 4.647209 -1.590517 ESP Fit Center 1132 is at -0.168276 4.270648 -1.590517 ESP Fit Center 1133 is at 0.049132 3.894086 -1.590517 ESP Fit Center 1134 is at 3.274763 4.832721 0.100406 ESP Fit Center 1135 is at 3.086592 5.223462 0.100406 ESP Fit Center 1136 is at 2.791608 5.541379 0.100406 ESP Fit Center 1137 is at 2.416021 5.758224 0.100406 ESP Fit Center 1138 is at 3.507233 4.403875 -0.304778 ESP Fit Center 1139 is at 3.451939 4.823875 -0.304778 ESP Fit Center 1140 is at 3.289825 5.215252 -0.304778 ESP Fit Center 1141 is at 3.031939 5.551336 -0.304778 ESP Fit Center 1142 is at 2.695856 5.809222 -0.304778 ESP Fit Center 1143 is at 2.304478 5.971336 -0.304778 ESP Fit Center 1144 is at 1.884478 6.026630 -0.304778 ESP Fit Center 1145 is at 3.451939 3.983875 -0.304778 ESP Fit Center 1146 is at 3.564478 4.403875 -0.739594 ESP Fit Center 1147 is at 3.511698 4.821674 -0.739594 ESP Fit Center 1148 is at 3.356673 5.213221 -0.739594 ESP Fit Center 1149 is at 3.109145 5.553914 -0.739594 ESP Fit Center 1150 is at 2.784667 5.822346 -0.739594 ESP Fit Center 1151 is at 2.403627 6.001650 -0.739594 ESP Fit Center 1152 is at 1.989966 6.080560 -0.739594 ESP Fit Center 1153 is at 1.569677 6.054117 -0.739594 ESP Fit Center 1154 is at 1.169169 5.923984 -0.739594 ESP Fit Center 1155 is at 3.356673 3.594528 -0.739594 ESP Fit Center 1156 is at 3.511698 3.986076 -0.739594 ESP Fit Center 1157 is at 3.507233 4.403875 -1.174410 ESP Fit Center 1158 is at 3.451939 4.823875 -1.174410 ESP Fit Center 1159 is at 3.289825 5.215252 -1.174410 ESP Fit Center 1160 is at 3.031939 5.551336 -1.174410 ESP Fit Center 1161 is at 2.695856 5.809222 -1.174410 ESP Fit Center 1162 is at 2.304478 5.971336 -1.174410 ESP Fit Center 1163 is at 1.884478 6.026630 -1.174410 ESP Fit Center 1164 is at 1.464478 5.971336 -1.174410 ESP Fit Center 1165 is at 1.073100 5.809222 -1.174410 ESP Fit Center 1166 is at 0.737017 5.551336 -1.174410 ESP Fit Center 1167 is at 3.031939 3.256413 -1.174410 ESP Fit Center 1168 is at 3.289825 3.592497 -1.174410 ESP Fit Center 1169 is at 3.451939 3.983875 -1.174410 ESP Fit Center 1170 is at 3.339401 4.403875 -1.579594 ESP Fit Center 1171 is at 3.274763 4.832721 -1.579594 ESP Fit Center 1172 is at 3.086592 5.223462 -1.579594 ESP Fit Center 1173 is at 2.791608 5.541379 -1.579594 ESP Fit Center 1174 is at 2.416021 5.758224 -1.579594 ESP Fit Center 1175 is at 1.993205 5.854729 -1.579594 ESP Fit Center 1176 is at 1.560727 5.822319 -1.579594 ESP Fit Center 1177 is at 1.157017 5.663875 -1.579594 ESP Fit Center 1178 is at 0.817944 5.393473 -1.579594 ESP Fit Center 1179 is at 0.573638 5.035142 -1.579594 ESP Fit Center 1180 is at 2.791608 3.266370 -1.579594 ESP Fit Center 1181 is at 3.086592 3.584288 -1.579594 ESP Fit Center 1182 is at 3.274763 3.975029 -1.579594 ESP Fit Center 1183 is at 3.072417 4.403875 -1.927533 ESP Fit Center 1184 is at 2.992199 4.833008 -1.927533 ESP Fit Center 1185 is at 2.762376 5.204184 -1.927533 ESP Fit Center 1186 is at 2.413988 5.467274 -1.927533 ESP Fit Center 1187 is at 1.994087 5.586747 -1.927533 ESP Fit Center 1188 is at 1.559383 5.546465 -1.927533 ESP Fit Center 1189 is at 1.168585 5.351871 -1.927533 ESP Fit Center 1190 is at 0.874472 5.029244 -1.927533 ESP Fit Center 1191 is at 0.716766 4.622158 -1.927533 ESP Fit Center 1192 is at 0.716766 4.185591 -1.927533 ESP Fit Center 1193 is at 2.413988 3.340475 -1.927533 ESP Fit Center 1194 is at 2.762376 3.603565 -1.927533 ESP Fit Center 1195 is at 2.992199 3.974741 -1.927533 ESP Fit Center 1196 is at 2.724478 4.403875 -2.194516 ESP Fit Center 1197 is at 2.611939 4.823875 -2.194516 ESP Fit Center 1198 is at 2.304478 5.131336 -2.194516 ESP Fit Center 1199 is at 1.884478 5.243875 -2.194516 ESP Fit Center 1200 is at 1.464478 5.131336 -2.194516 ESP Fit Center 1201 is at 1.157017 4.823875 -2.194516 ESP Fit Center 1202 is at 1.044478 4.403875 -2.194516 ESP Fit Center 1203 is at 1.157017 3.983875 -2.194516 ESP Fit Center 1204 is at 1.464478 3.676413 -2.194516 ESP Fit Center 1205 is at 1.884478 3.563875 -2.194516 ESP Fit Center 1206 is at 2.304478 3.676413 -2.194516 ESP Fit Center 1207 is at 2.611939 3.983875 -2.194516 ESP Fit Center 1208 is at 2.319294 4.403875 -2.362349 ESP Fit Center 1209 is at 2.101886 4.780436 -2.362349 ESP Fit Center 1210 is at 1.667070 4.780436 -2.362349 ESP Fit Center 1211 is at 1.449662 4.403875 -2.362349 ESP Fit Center 1212 is at 1.667070 4.027313 -2.362349 ESP Fit Center 1213 is at 2.101886 4.027313 -2.362349 ESP Fit Center 1214 is at 1.884478 4.403875 -2.419594 ESP Fit Center 1215 is at 3.235232 -0.989240 2.340933 ESP Fit Center 1216 is at 2.935734 -0.689742 2.340933 ESP Fit Center 1217 is at 2.526613 -0.580118 2.340933 ESP Fit Center 1218 is at 3.726000 -1.398361 2.173747 ESP Fit Center 1219 is at 3.653668 -0.988146 2.173747 ESP Fit Center 1220 is at 3.445397 -0.627410 2.173747 ESP Fit Center 1221 is at 4.074429 -1.398361 1.946108 ESP Fit Center 1222 is at 4.017032 -0.980765 1.946108 ESP Fit Center 1223 is at 3.849097 -0.594141 1.946108 ESP Fit Center 1224 is at 3.583080 -0.267161 1.946108 ESP Fit Center 1225 is at 4.017032 -1.815957 1.946108 ESP Fit Center 1226 is at 4.330662 -0.970794 1.664223 ESP Fit Center 1227 is at 4.183430 -0.566276 1.664223 ESP Fit Center 1228 is at 3.946878 -0.206617 1.664223 ESP Fit Center 1229 is at 3.946878 -2.590105 1.664223 ESP Fit Center 1230 is at 4.258144 -0.193180 1.335783 ESP Fit Center 1231 is at 3.642547 -3.188711 1.335783 ESP Fit Center 1232 is at 4.232060 0.156359 0.969746 ESP Fit Center 1233 is at 3.555265 -3.464173 0.969746 ESP Fit Center 1234 is at 4.397974 0.171898 0.576097 ESP Fit Center 1235 is at 2.950816 -3.804137 0.576097 ESP Fit Center 1236 is at 3.362130 -3.693925 0.576097 ESP Fit Center 1237 is at 4.480566 0.179346 0.165573 ESP Fit Center 1238 is at 4.185827 0.486872 0.165573 ESP Fit Center 1239 is at 2.633199 -3.907491 0.165573 ESP Fit Center 1240 is at 3.055711 -3.853386 0.165573 ESP Fit Center 1241 is at 3.463002 -3.728655 0.165573 ESP Fit Center 1242 is at 4.480566 0.179346 -0.250627 ESP Fit Center 1243 is at 4.185827 0.486872 -0.250627 ESP Fit Center 1244 is at 2.207621 -3.889413 -0.250627 ESP Fit Center 1245 is at 2.633199 -3.907491 -0.250627 ESP Fit Center 1246 is at 3.055711 -3.853386 -0.250627 ESP Fit Center 1247 is at 3.463002 -3.728655 -0.250627 ESP Fit Center 1248 is at 4.397974 0.171898 -0.661150 ESP Fit Center 1249 is at 4.096872 0.473000 -0.661150 ESP Fit Center 1250 is at 3.748057 0.717243 -0.661150 ESP Fit Center 1251 is at 1.305169 -3.513965 -0.661150 ESP Fit Center 1252 is at 1.691096 -3.693925 -0.661150 ESP Fit Center 1253 is at 2.102410 -3.804137 -0.661150 ESP Fit Center 1254 is at 2.526613 -3.841250 -0.661150 ESP Fit Center 1255 is at 2.950816 -3.804137 -0.661150 ESP Fit Center 1256 is at 3.362130 -3.693925 -0.661150 ESP Fit Center 1257 is at 4.232060 0.156359 -1.054799 ESP Fit Center 1258 is at 3.917342 0.443262 -1.054799 ESP Fit Center 1259 is at 3.555265 0.667451 -1.054799 ESP Fit Center 1260 is at 3.158158 0.821291 -1.054799 ESP Fit Center 1261 is at 1.895067 -3.618013 -1.054799 ESP Fit Center 1262 is at 2.313681 -3.696265 -1.054799 ESP Fit Center 1263 is at 2.739545 -3.696265 -1.054799 ESP Fit Center 1264 is at 3.158158 -3.618013 -1.054799 ESP Fit Center 1265 is at 3.555265 -3.464173 -1.054799 ESP Fit Center 1266 is at 4.258144 -0.193180 -1.420836 ESP Fit Center 1267 is at 3.980099 0.130705 -1.420836 ESP Fit Center 1268 is at 3.642547 0.391989 -1.420836 ESP Fit Center 1269 is at 3.259309 0.579977 -1.420836 ESP Fit Center 1270 is at 2.846074 0.686971 -1.420836 ESP Fit Center 1271 is at 2.419760 -3.505313 -1.420836 ESP Fit Center 1272 is at 2.846074 -3.483693 -1.420836 ESP Fit Center 1273 is at 3.259309 -3.376699 -1.420836 ESP Fit Center 1274 is at 3.642547 -3.188711 -1.420836 ESP Fit Center 1275 is at 4.183430 -0.566276 -1.749276 ESP Fit Center 1276 is at 3.946878 -0.206617 -1.749276 ESP Fit Center 1277 is at 3.633759 0.088795 -1.749276 ESP Fit Center 1278 is at 3.260954 0.304034 -1.749276 ESP Fit Center 1279 is at 2.848561 0.427496 -1.749276 ESP Fit Center 1280 is at 2.418811 0.452527 -1.749276 ESP Fit Center 1281 is at 2.848561 -3.224218 -1.749276 ESP Fit Center 1282 is at 3.260954 -3.100756 -1.749276 ESP Fit Center 1283 is at 3.633759 -2.885517 -1.749276 ESP Fit Center 1284 is at 4.017032 -0.980765 -2.031161 ESP Fit Center 1285 is at 3.849097 -0.594141 -2.031161 ESP Fit Center 1286 is at 3.583080 -0.267161 -2.031161 ESP Fit Center 1287 is at 3.238709 -0.024078 -2.031161 ESP Fit Center 1288 is at 2.841525 0.117081 -2.031161 ESP Fit Center 1289 is at 2.420986 0.145847 -2.031161 ESP Fit Center 1290 is at 3.238709 -2.772644 -2.031161 ESP Fit Center 1291 is at 3.583080 -2.529561 -2.031161 ESP Fit Center 1292 is at 3.849097 -2.202581 -2.031161 ESP Fit Center 1293 is at 3.726000 -1.398361 -2.258800 ESP Fit Center 1294 is at 3.653668 -0.988146 -2.258800 ESP Fit Center 1295 is at 3.445397 -0.627410 -2.258800 ESP Fit Center 1296 is at 3.126307 -0.359661 -2.258800 ESP Fit Center 1297 is at 3.445397 -2.169312 -2.258800 ESP Fit Center 1298 is at 3.653668 -1.808576 -2.258800 ESP Fit Center 1299 is at 4.336686 -1.708056 1.803325 ESP Fit Center 1300 is at 4.132933 -2.060968 1.803325 ESP Fit Center 1301 is at 4.726383 -1.708056 1.676705 ESP Fit Center 1302 is at 4.619578 -1.309454 1.676705 ESP Fit Center 1303 is at 4.327781 -2.398455 1.676705 ESP Fit Center 1304 is at 4.619578 -2.106658 1.676705 ESP Fit Center 1305 is at 5.081238 -1.708056 1.471829 ESP Fit Center 1306 is at 5.003442 -1.291885 1.471829 ESP Fit Center 1307 is at 4.780561 -0.931919 1.471829 ESP Fit Center 1308 is at 4.442696 -0.676775 1.471829 ESP Fit Center 1309 is at 4.035478 -2.855201 1.471829 ESP Fit Center 1310 is at 4.442696 -2.739337 1.471829 ESP Fit Center 1311 is at 4.780561 -2.484194 1.471829 ESP Fit Center 1312 is at 5.003442 -2.124228 1.471829 ESP Fit Center 1313 is at 5.385743 -1.708056 1.197652 ESP Fit Center 1314 is at 5.326742 -1.297695 1.197652 ESP Fit Center 1315 is at 5.154519 -0.920578 1.197652 ESP Fit Center 1316 is at 4.883026 -0.607259 1.197652 ESP Fit Center 1317 is at 4.534258 -0.383119 1.197652 ESP Fit Center 1318 is at 4.136470 -3.149794 1.197652 ESP Fit Center 1319 is at 4.534258 -3.032993 1.197652 ESP Fit Center 1320 is at 4.883026 -2.808854 1.197652 ESP Fit Center 1321 is at 5.154519 -2.495534 1.197652 ESP Fit Center 1322 is at 5.326742 -2.118418 1.197652 ESP Fit Center 1323 is at 5.626589 -1.708056 0.866156 ESP Fit Center 1324 is at 5.573262 -1.285928 0.866156 ESP Fit Center 1325 is at 5.416631 -0.890323 0.866156 ESP Fit Center 1326 is at 5.166538 -0.546099 0.866156 ESP Fit Center 1327 is at 4.838697 -0.274886 0.866156 ESP Fit Center 1328 is at 4.035761 -3.402117 0.866156 ESP Fit Center 1329 is at 4.453708 -3.322389 0.866156 ESP Fit Center 1330 is at 4.838697 -3.141227 0.866156 ESP Fit Center 1331 is at 5.166538 -2.870013 0.866156 ESP Fit Center 1332 is at 5.416631 -2.525790 0.866156 ESP Fit Center 1333 is at 5.573262 -2.130185 0.866156 ESP Fit Center 1334 is at 5.793250 -1.708056 0.491829 ESP Fit Center 1335 is at 5.746514 -1.293262 0.491829 ESP Fit Center 1336 is at 5.608649 -0.899266 0.491829 ESP Fit Center 1337 is at 5.386569 -0.545827 0.491829 ESP Fit Center 1338 is at 5.091408 -0.250667 0.491829 ESP Fit Center 1339 is at 4.737969 -0.028587 0.491829 ESP Fit Center 1340 is at 3.929179 -3.572127 0.491829 ESP Fit Center 1341 is at 4.343974 -3.525391 0.491829 ESP Fit Center 1342 is at 4.737969 -3.387526 0.491829 ESP Fit Center 1343 is at 5.091408 -3.165446 0.491829 ESP Fit Center 1344 is at 5.386569 -2.870285 0.491829 ESP Fit Center 1345 is at 5.608649 -2.516846 0.491829 ESP Fit Center 1346 is at 5.746514 -2.122851 0.491829 ESP Fit Center 1347 is at 5.878442 -1.708056 0.091031 ESP Fit Center 1348 is at 5.832870 -1.289022 0.091031 ESP Fit Center 1349 is at 5.698282 -0.889582 0.091031 ESP Fit Center 1350 is at 5.480974 -0.528413 0.091031 ESP Fit Center 1351 is at 5.191105 -0.222402 0.091031 ESP Fit Center 1352 is at 4.842231 0.014141 0.091031 ESP Fit Center 1353 is at 4.034710 -3.654461 0.091031 ESP Fit Center 1354 is at 4.450662 -3.586269 0.091031 ESP Fit Center 1355 is at 4.842231 -3.430254 0.091031 ESP Fit Center 1356 is at 5.191105 -3.193711 0.091031 ESP Fit Center 1357 is at 5.480974 -2.887700 0.091031 ESP Fit Center 1358 is at 5.698282 -2.526531 0.091031 ESP Fit Center 1359 is at 5.832870 -2.127090 0.091031 ESP Fit Center 1360 is at 5.878442 -1.708056 -0.318720 ESP Fit Center 1361 is at 5.832870 -1.289022 -0.318720 ESP Fit Center 1362 is at 5.698282 -0.889582 -0.318720 ESP Fit Center 1363 is at 5.480974 -0.528413 -0.318720 ESP Fit Center 1364 is at 5.191105 -0.222402 -0.318720 ESP Fit Center 1365 is at 4.842231 0.014141 -0.318720 ESP Fit Center 1366 is at 4.034710 -3.654461 -0.318720 ESP Fit Center 1367 is at 4.450662 -3.586269 -0.318720 ESP Fit Center 1368 is at 4.842231 -3.430254 -0.318720 ESP Fit Center 1369 is at 5.191105 -3.193711 -0.318720 ESP Fit Center 1370 is at 5.480974 -2.887700 -0.318720 ESP Fit Center 1371 is at 5.698282 -2.526531 -0.318720 ESP Fit Center 1372 is at 5.832870 -2.127090 -0.318720 ESP Fit Center 1373 is at 5.793250 -1.708056 -0.719518 ESP Fit Center 1374 is at 5.746514 -1.293262 -0.719518 ESP Fit Center 1375 is at 5.608649 -0.899266 -0.719518 ESP Fit Center 1376 is at 5.386569 -0.545827 -0.719518 ESP Fit Center 1377 is at 5.091408 -0.250667 -0.719518 ESP Fit Center 1378 is at 4.737969 -0.028587 -0.719518 ESP Fit Center 1379 is at 3.929179 -3.572127 -0.719518 ESP Fit Center 1380 is at 4.343974 -3.525391 -0.719518 ESP Fit Center 1381 is at 4.737969 -3.387526 -0.719518 ESP Fit Center 1382 is at 5.091408 -3.165446 -0.719518 ESP Fit Center 1383 is at 5.386569 -2.870285 -0.719518 ESP Fit Center 1384 is at 5.608649 -2.516846 -0.719518 ESP Fit Center 1385 is at 5.746514 -2.122851 -0.719518 ESP Fit Center 1386 is at 5.626589 -1.708056 -1.093844 ESP Fit Center 1387 is at 5.573262 -1.285928 -1.093844 ESP Fit Center 1388 is at 5.416631 -0.890323 -1.093844 ESP Fit Center 1389 is at 5.166538 -0.546099 -1.093844 ESP Fit Center 1390 is at 4.838697 -0.274886 -1.093844 ESP Fit Center 1391 is at 4.453708 -0.093724 -1.093844 ESP Fit Center 1392 is at 4.035761 -3.402117 -1.093844 ESP Fit Center 1393 is at 4.453708 -3.322389 -1.093844 ESP Fit Center 1394 is at 4.838697 -3.141227 -1.093844 ESP Fit Center 1395 is at 5.166538 -2.870013 -1.093844 ESP Fit Center 1396 is at 5.416631 -2.525790 -1.093844 ESP Fit Center 1397 is at 5.573262 -2.130185 -1.093844 ESP Fit Center 1398 is at 5.385743 -1.708056 -1.425340 ESP Fit Center 1399 is at 5.326742 -1.297695 -1.425340 ESP Fit Center 1400 is at 5.154519 -0.920578 -1.425340 ESP Fit Center 1401 is at 4.883026 -0.607259 -1.425340 ESP Fit Center 1402 is at 4.534258 -0.383119 -1.425340 ESP Fit Center 1403 is at 3.721889 -3.149794 -1.425340 ESP Fit Center 1404 is at 4.136470 -3.149794 -1.425340 ESP Fit Center 1405 is at 4.534258 -3.032993 -1.425340 ESP Fit Center 1406 is at 4.883026 -2.808854 -1.425340 ESP Fit Center 1407 is at 5.154519 -2.495534 -1.425340 ESP Fit Center 1408 is at 5.326742 -2.118418 -1.425340 ESP Fit Center 1409 is at 5.081238 -1.708056 -1.699518 ESP Fit Center 1410 is at 5.003442 -1.291885 -1.699518 ESP Fit Center 1411 is at 4.780561 -0.931919 -1.699518 ESP Fit Center 1412 is at 4.442696 -0.676775 -1.699518 ESP Fit Center 1413 is at 4.035478 -2.855201 -1.699518 ESP Fit Center 1414 is at 4.442696 -2.739337 -1.699518 ESP Fit Center 1415 is at 4.780561 -2.484194 -1.699518 ESP Fit Center 1416 is at 5.003442 -2.124228 -1.699518 ESP Fit Center 1417 is at 4.726383 -1.708056 -1.904394 ESP Fit Center 1418 is at 4.619578 -1.309454 -1.904394 ESP Fit Center 1419 is at 4.327781 -1.017658 -1.904394 ESP Fit Center 1420 is at 3.929179 -2.505260 -1.904394 ESP Fit Center 1421 is at 4.327781 -2.398455 -1.904394 ESP Fit Center 1422 is at 4.619578 -2.106658 -1.904394 ESP Fit Center 1423 is at 4.336686 -1.708056 -2.031014 ESP Fit Center 1424 is at 4.132933 -1.355145 -2.031014 ESP Fit Center 1425 is at 4.132933 -2.060968 -2.031014 ESP Fit Center 1426 is at 0.123219 -2.423727 -0.663961 ESP Fit Center 1427 is at 0.345299 -2.777166 -0.663961 ESP Fit Center 1428 is at 0.640459 -3.072326 -0.663961 ESP Fit Center 1429 is at -0.044537 -2.237340 -1.064759 ESP Fit Center 1430 is at 0.132448 -2.619887 -1.064759 ESP Fit Center 1431 is at 0.387532 -2.955444 -1.064759 ESP Fit Center 1432 is at 0.708787 -3.228320 -1.064759 ESP Fit Center 1433 is at 1.081192 -3.425757 -1.064759 ESP Fit Center 1434 is at 1.487333 -3.538521 -1.064759 ESP Fit Center 1435 is at -0.044537 -2.237340 -1.474510 ESP Fit Center 1436 is at 0.132448 -2.619887 -1.474510 ESP Fit Center 1437 is at 0.387532 -2.955444 -1.474510 ESP Fit Center 1438 is at 0.708787 -3.228320 -1.474510 ESP Fit Center 1439 is at 1.081192 -3.425757 -1.474510 ESP Fit Center 1440 is at 1.487333 -3.538521 -1.474510 ESP Fit Center 1441 is at 1.908219 -3.561341 -1.474510 ESP Fit Center 1442 is at 2.324171 -3.493149 -1.474510 ESP Fit Center 1443 is at -0.014646 -2.029732 -1.875308 ESP Fit Center 1444 is at 0.123219 -2.423727 -1.875308 ESP Fit Center 1445 is at 0.345299 -2.777166 -1.875308 ESP Fit Center 1446 is at 0.640459 -3.072326 -1.875308 ESP Fit Center 1447 is at 0.993898 -3.294407 -1.875308 ESP Fit Center 1448 is at 1.387894 -3.432272 -1.875308 ESP Fit Center 1449 is at 1.802688 -3.479008 -1.875308 ESP Fit Center 1450 is at 2.217483 -3.432272 -1.875308 ESP Fit Center 1451 is at 2.611478 -3.294407 -1.875308 ESP Fit Center 1452 is at 2.964917 -3.072326 -1.875308 ESP Fit Center 1453 is at 2.712206 -0.181766 -2.249635 ESP Fit Center 1454 is at 2.327217 -0.000604 -2.249635 ESP Fit Center 1455 is at 1.909270 0.079123 -2.249635 ESP Fit Center 1456 is at 0.118663 -1.827679 -2.249635 ESP Fit Center 1457 is at 0.224477 -2.239795 -2.249635 ESP Fit Center 1458 is at 0.429455 -2.612649 -2.249635 ESP Fit Center 1459 is at 0.720719 -2.922814 -2.249635 ESP Fit Center 1460 is at 1.079966 -3.150799 -2.249635 ESP Fit Center 1461 is at 1.484625 -3.282281 -2.249635 ESP Fit Center 1462 is at 1.909270 -3.308997 -2.249635 ESP Fit Center 1463 is at 2.327217 -3.229270 -2.249635 ESP Fit Center 1464 is at 2.712206 -3.048107 -2.249635 ESP Fit Center 1465 is at 3.040047 -2.776894 -2.249635 ESP Fit Center 1466 is at 3.290140 -2.432670 -2.249635 ESP Fit Center 1467 is at 3.259252 -1.614937 -2.581131 ESP Fit Center 1468 is at 3.200251 -1.204575 -2.581131 ESP Fit Center 1469 is at 3.028028 -0.827459 -2.581131 ESP Fit Center 1470 is at 2.756535 -0.514139 -2.581131 ESP Fit Center 1471 is at 2.407767 -0.290000 -2.581131 ESP Fit Center 1472 is at 2.009979 -0.173199 -2.581131 ESP Fit Center 1473 is at 0.346124 -1.614937 -2.581131 ESP Fit Center 1474 is at 0.405126 -2.025298 -2.581131 ESP Fit Center 1475 is at 0.577349 -2.402415 -2.581131 ESP Fit Center 1476 is at 0.848842 -2.715734 -2.581131 ESP Fit Center 1477 is at 1.197610 -2.939874 -2.581131 ESP Fit Center 1478 is at 1.595398 -3.056675 -2.581131 ESP Fit Center 1479 is at 2.009979 -3.056675 -2.581131 ESP Fit Center 1480 is at 2.407767 -2.939874 -2.581131 ESP Fit Center 1481 is at 2.756535 -2.715734 -2.581131 ESP Fit Center 1482 is at 3.028028 -2.402415 -2.581131 ESP Fit Center 1483 is at 3.200251 -2.025298 -2.581131 ESP Fit Center 1484 is at 2.954747 -1.614937 -2.855308 ESP Fit Center 1485 is at 2.876951 -1.198765 -2.855308 ESP Fit Center 1486 is at 2.654070 -0.838800 -2.855308 ESP Fit Center 1487 is at 2.316205 -0.583656 -2.855308 ESP Fit Center 1488 is at 1.908987 -0.467792 -2.855308 ESP Fit Center 1489 is at 1.487412 -0.506857 -2.855308 ESP Fit Center 1490 is at 0.670245 -1.403247 -2.855308 ESP Fit Center 1491 is at 0.670245 -1.826627 -2.855308 ESP Fit Center 1492 is at 0.823188 -2.221418 -2.855308 ESP Fit Center 1493 is at 1.108418 -2.534300 -2.855308 ESP Fit Center 1494 is at 1.487412 -2.723017 -2.855308 ESP Fit Center 1495 is at 1.908987 -2.762082 -2.855308 ESP Fit Center 1496 is at 2.316205 -2.646218 -2.855308 ESP Fit Center 1497 is at 2.654070 -2.391074 -2.855308 ESP Fit Center 1498 is at 2.876951 -2.031109 -2.855308 ESP Fit Center 1499 is at 2.599892 -1.614937 -3.060184 ESP Fit Center 1500 is at 2.493087 -1.216335 -3.060184 ESP Fit Center 1501 is at 2.201290 -0.924538 -3.060184 ESP Fit Center 1502 is at 1.802688 -0.817733 -3.060184 ESP Fit Center 1503 is at 1.404086 -0.924538 -3.060184 ESP Fit Center 1504 is at 1.112290 -1.216335 -3.060184 ESP Fit Center 1505 is at 1.005484 -1.614937 -3.060184 ESP Fit Center 1506 is at 1.112290 -2.013539 -3.060184 ESP Fit Center 1507 is at 1.404086 -2.305336 -3.060184 ESP Fit Center 1508 is at 1.802688 -2.412141 -3.060184 ESP Fit Center 1509 is at 2.201290 -2.305336 -3.060184 ESP Fit Center 1510 is at 2.493087 -2.013539 -3.060184 ESP Fit Center 1511 is at 2.210195 -1.614937 -3.186804 ESP Fit Center 1512 is at 2.006442 -1.262026 -3.186804 ESP Fit Center 1513 is at 1.598935 -1.262026 -3.186804 ESP Fit Center 1514 is at 1.395181 -1.614937 -3.186804 ESP Fit Center 1515 is at 1.598935 -1.967848 -3.186804 ESP Fit Center 1516 is at 2.006442 -1.967848 -3.186804 ESP Fit Center 1517 is at 1.802688 -1.614937 -3.229635 ESP Fit Center 1518 is at 0.766167 -1.668834 2.506875 ESP Fit Center 1519 is at 0.613224 -2.063624 2.506875 ESP Fit Center 1520 is at 0.613224 -2.487005 2.506875 ESP Fit Center 1521 is at 0.766167 -2.881796 2.506875 ESP Fit Center 1522 is at 0.348104 -1.864953 2.232698 ESP Fit Center 1523 is at 0.289103 -2.275315 2.232698 ESP Fit Center 1524 is at 0.348104 -2.685676 2.232698 ESP Fit Center 1525 is at 0.520328 -3.062793 2.232698 ESP Fit Center 1526 is at 0.791821 -3.376112 2.232698 ESP Fit Center 1527 is at 1.140589 -3.600252 2.232698 ESP Fit Center 1528 is at 0.061642 -2.062573 1.901202 ESP Fit Center 1529 is at 0.061642 -2.488057 1.901202 ESP Fit Center 1530 is at 0.167455 -2.900173 1.901202 ESP Fit Center 1531 is at 0.372434 -3.273027 1.901202 ESP Fit Center 1532 is at 0.663697 -3.583191 1.901202 ESP Fit Center 1533 is at 1.022945 -3.811177 1.901202 ESP Fit Center 1534 is at 1.427604 -3.942659 1.901202 ESP Fit Center 1535 is at 1.852248 -3.969375 1.901202 ESP Fit Center 1536 is at -0.118404 -2.275315 1.526875 ESP Fit Center 1537 is at -0.071668 -2.690109 1.526875 ESP Fit Center 1538 is at 0.066197 -3.084105 1.526875 ESP Fit Center 1539 is at 0.288278 -3.437544 1.526875 ESP Fit Center 1540 is at 0.583438 -3.732704 1.526875 ESP Fit Center 1541 is at 0.936877 -3.954784 1.526875 ESP Fit Center 1542 is at 1.330872 -4.092649 1.526875 ESP Fit Center 1543 is at 1.745667 -4.139385 1.526875 ESP Fit Center 1544 is at 2.160462 -4.092649 1.526875 ESP Fit Center 1545 is at 2.554457 -3.954784 1.526875 ESP Fit Center 1546 is at 2.907896 -3.732704 1.526875 ESP Fit Center 1547 is at -0.192169 -2.486067 1.126078 ESP Fit Center 1548 is at -0.101558 -2.897717 1.126078 ESP Fit Center 1549 is at 0.075427 -3.280265 1.126078 ESP Fit Center 1550 is at 0.330511 -3.615822 1.126078 ESP Fit Center 1551 is at 0.651766 -3.888698 1.126078 ESP Fit Center 1552 is at 1.024171 -4.086135 1.126078 ESP Fit Center 1553 is at 1.430311 -4.198899 1.126078 ESP Fit Center 1554 is at 1.851198 -4.221719 1.126078 ESP Fit Center 1555 is at 2.267150 -4.153527 1.126078 ESP Fit Center 1556 is at 2.658718 -3.997512 1.126078 ESP Fit Center 1557 is at 3.007593 -3.760969 1.126078 ESP Fit Center 1558 is at -0.101558 -2.897717 0.716326 ESP Fit Center 1559 is at 0.075427 -3.280265 0.716326 ESP Fit Center 1560 is at 0.330511 -3.615822 0.716326 ESP Fit Center 1561 is at 0.651766 -3.888698 0.716326 ESP Fit Center 1562 is at 1.024171 -4.086135 0.716326 ESP Fit Center 1563 is at 1.430311 -4.198899 0.716326 ESP Fit Center 1564 is at 1.851198 -4.221719 0.716326 ESP Fit Center 1565 is at 2.267150 -4.153527 0.716326 ESP Fit Center 1566 is at 2.658718 -3.997512 0.716326 ESP Fit Center 1567 is at 3.007593 -3.760969 0.716326 ESP Fit Center 1568 is at 0.066197 -3.084105 0.315529 ESP Fit Center 1569 is at 0.288278 -3.437544 0.315529 ESP Fit Center 1570 is at 0.583438 -3.732704 0.315529 ESP Fit Center 1571 is at 0.936877 -3.954784 0.315529 ESP Fit Center 1572 is at 1.330872 -4.092649 0.315529 ESP Fit Center 1573 is at 1.745667 -4.139385 0.315529 ESP Fit Center 1574 is at 2.160462 -4.092649 0.315529 ESP Fit Center 1575 is at 2.554457 -3.954784 0.315529 ESP Fit Center 1576 is at 0.167455 -2.900173 -0.058798 ESP Fit Center 1577 is at 0.372434 -3.273027 -0.058798 ESP Fit Center 1578 is at 0.663697 -3.583191 -0.058798 ESP Fit Center 1579 is at 1.022945 -3.811177 -0.058798 ESP Fit Center 1580 is at 1.427604 -3.942659 -0.058798 ESP Fit Center 1581 is at 1.852248 -3.969375 -0.058798 ESP Fit Center 1582 is at 0.348104 -2.685676 -0.390294 ESP Fit Center 1583 is at 0.520328 -3.062793 -0.390294 ESP Fit Center 1584 is at 0.791821 -3.376112 -0.390294 ESP Fit Center 1585 is at 1.140589 -3.600252 -0.390294 ESP Fit Center 1586 is at 1.538376 -3.717053 -0.390294 ESP Fit Center 1587 is at 2.200242 -2.231825 3.492498 ESP Fit Center 1588 is at 2.635058 -2.231825 3.435253 ESP Fit Center 1589 is at 2.417650 -1.855263 3.435253 ESP Fit Center 1590 is at 1.982834 -1.855263 3.435253 ESP Fit Center 1591 is at 1.765426 -2.231825 3.435253 ESP Fit Center 1592 is at 1.982834 -2.608387 3.435253 ESP Fit Center 1593 is at 2.417650 -2.608387 3.435253 ESP Fit Center 1594 is at 3.040242 -2.231825 3.267421 ESP Fit Center 1595 is at 2.927703 -1.811825 3.267421 ESP Fit Center 1596 is at 2.620242 -1.504364 3.267421 ESP Fit Center 1597 is at 2.200242 -1.391825 3.267421 ESP Fit Center 1598 is at 1.780242 -1.504364 3.267421 ESP Fit Center 1599 is at 1.472780 -1.811825 3.267421 ESP Fit Center 1600 is at 1.360242 -2.231825 3.267421 ESP Fit Center 1601 is at 1.472780 -2.651825 3.267421 ESP Fit Center 1602 is at 1.780242 -2.959286 3.267421 ESP Fit Center 1603 is at 2.200242 -3.071825 3.267421 ESP Fit Center 1604 is at 2.620242 -2.959286 3.267421 ESP Fit Center 1605 is at 2.927703 -2.651825 3.267421 ESP Fit Center 1606 is at 3.388181 -2.231825 3.000437 ESP Fit Center 1607 is at 3.307962 -1.802692 3.000437 ESP Fit Center 1608 is at 3.078139 -1.431515 3.000437 ESP Fit Center 1609 is at 2.729752 -1.168425 3.000437 ESP Fit Center 1610 is at 2.309851 -1.048953 3.000437 ESP Fit Center 1611 is at 1.875147 -1.089234 3.000437 ESP Fit Center 1612 is at 1.484348 -1.283829 3.000437 ESP Fit Center 1613 is at 1.190235 -1.606455 3.000437 ESP Fit Center 1614 is at 1.032529 -2.013542 3.000437 ESP Fit Center 1615 is at 1.032529 -2.450108 3.000437 ESP Fit Center 1616 is at 1.190235 -2.857194 3.000437 ESP Fit Center 1617 is at 1.484348 -3.179821 3.000437 ESP Fit Center 1618 is at 1.875147 -3.374416 3.000437 ESP Fit Center 1619 is at 2.309851 -3.414697 3.000437 ESP Fit Center 1620 is at 2.729752 -3.295225 3.000437 ESP Fit Center 1621 is at 3.078139 -3.032135 3.000437 ESP Fit Center 1622 is at 3.307962 -2.660958 3.000437 ESP Fit Center 1623 is at 3.655164 -2.231825 2.652498 ESP Fit Center 1624 is at 3.590526 -1.802979 2.652498 ESP Fit Center 1625 is at 3.402355 -1.412238 2.652498 ESP Fit Center 1626 is at 3.107371 -1.094321 2.652498 ESP Fit Center 1627 is at 2.731785 -0.877476 2.652498 ESP Fit Center 1628 is at 2.308968 -0.780971 2.652498 ESP Fit Center 1629 is at 1.876491 -0.813380 2.652498 ESP Fit Center 1630 is at 1.472780 -0.971825 2.652498 ESP Fit Center 1631 is at 1.133708 -1.242226 2.652498 ESP Fit Center 1632 is at 0.889402 -1.600558 2.652498 ESP Fit Center 1633 is at 0.761569 -2.014980 2.652498 ESP Fit Center 1634 is at 0.761569 -2.448670 2.652498 ESP Fit Center 1635 is at 0.889402 -2.863092 2.652498 ESP Fit Center 1636 is at 1.133708 -3.221424 2.652498 ESP Fit Center 1637 is at 1.472780 -3.491825 2.652498 ESP Fit Center 1638 is at 1.876491 -3.650270 2.652498 ESP Fit Center 1639 is at 2.308968 -3.682679 2.652498 ESP Fit Center 1640 is at 2.731785 -3.586174 2.652498 ESP Fit Center 1641 is at 3.107371 -3.369329 2.652498 ESP Fit Center 1642 is at 3.402355 -3.051412 2.652498 ESP Fit Center 1643 is at 3.590526 -2.660671 2.652498 ESP Fit Center 1644 is at 3.822997 -2.231825 2.247314 ESP Fit Center 1645 is at 3.767703 -1.811825 2.247314 ESP Fit Center 1646 is at 3.605589 -1.420447 2.247314 ESP Fit Center 1647 is at 1.780242 -3.799286 2.247314 ESP Fit Center 1648 is at 2.200242 -3.854580 2.247314 ESP Fit Center 1649 is at 2.620242 -3.799286 2.247314 ESP Fit Center 1650 is at 3.011619 -3.637172 2.247314 ESP Fit Center 1651 is at 3.347703 -3.379286 2.247314 ESP Fit Center 1652 is at 3.605589 -3.043203 2.247314 ESP Fit Center 1653 is at 3.767703 -2.651825 2.247314 ESP Fit Center 1654 is at 2.719390 -3.829600 1.812498 ESP Fit Center 1655 is at 3.100431 -3.650296 1.812498 ESP Fit Center 1656 is at 3.424909 -3.381864 1.812498 ESP Fit Center 1657 is at 3.672437 -3.041171 1.812498 ESP Fit Center 1658 is at 3.827461 -2.649624 1.812498 ESP Fit Center 1659 is at 3.347703 -3.379286 1.377682 ESP Fit Center 1660 is at -2.530300 -3.048084 -1.165425 ESP Fit Center 1661 is at -2.194216 -2.790198 -1.165425 ESP Fit Center 1662 is at -1.936330 -2.454114 -1.165425 ESP Fit Center 1663 is at -3.236189 -3.319422 -1.600241 ESP Fit Center 1664 is at -2.822529 -3.240512 -1.600241 ESP Fit Center 1665 is at -2.441488 -3.061208 -1.600241 ESP Fit Center 1666 is at -2.117010 -2.792776 -1.600241 ESP Fit Center 1667 is at -1.869482 -2.452083 -1.600241 ESP Fit Center 1668 is at -1.714458 -2.060536 -1.600241 ESP Fit Center 1669 is at -1.718922 -1.642737 -2.035057 ESP Fit Center 1670 is at -4.153055 -3.048084 -2.035057 ESP Fit Center 1671 is at -3.761677 -3.210198 -2.035057 ESP Fit Center 1672 is at -3.341677 -3.265492 -2.035057 ESP Fit Center 1673 is at -2.921677 -3.210198 -2.035057 ESP Fit Center 1674 is at -2.530300 -3.048084 -2.035057 ESP Fit Center 1675 is at -2.194216 -2.790198 -2.035057 ESP Fit Center 1676 is at -1.936330 -2.454114 -2.035057 ESP Fit Center 1677 is at -1.774216 -2.062737 -2.035057 ESP Fit Center 1678 is at -1.886755 -1.642737 -2.440241 ESP Fit Center 1679 is at -1.951393 -1.213891 -2.440241 ESP Fit Center 1680 is at -2.139564 -0.823150 -2.440241 ESP Fit Center 1681 is at -2.434548 -0.505232 -2.440241 ESP Fit Center 1682 is at -2.810135 -0.288387 -2.440241 ESP Fit Center 1683 is at -3.232951 -0.191882 -2.440241 ESP Fit Center 1684 is at -3.665428 -0.224292 -2.440241 ESP Fit Center 1685 is at -4.069139 -0.382737 -2.440241 ESP Fit Center 1686 is at -4.408211 -0.653138 -2.440241 ESP Fit Center 1687 is at -4.652518 -2.274004 -2.440241 ESP Fit Center 1688 is at -4.408211 -2.632335 -2.440241 ESP Fit Center 1689 is at -4.069139 -2.902737 -2.440241 ESP Fit Center 1690 is at -3.665428 -3.061181 -2.440241 ESP Fit Center 1691 is at -3.232951 -3.093591 -2.440241 ESP Fit Center 1692 is at -2.810135 -2.997086 -2.440241 ESP Fit Center 1693 is at -2.434548 -2.780241 -2.440241 ESP Fit Center 1694 is at -2.139564 -2.462324 -2.440241 ESP Fit Center 1695 is at -1.951393 -2.071583 -2.440241 ESP Fit Center 1696 is at -2.153738 -1.642737 -2.788181 ESP Fit Center 1697 is at -2.233957 -1.213603 -2.788181 ESP Fit Center 1698 is at -2.463780 -0.842427 -2.788181 ESP Fit Center 1699 is at -2.812167 -0.579337 -2.788181 ESP Fit Center 1700 is at -3.232068 -0.459865 -2.788181 ESP Fit Center 1701 is at -3.666773 -0.500146 -2.788181 ESP Fit Center 1702 is at -4.057571 -0.694741 -2.788181 ESP Fit Center 1703 is at -4.351684 -1.017367 -2.788181 ESP Fit Center 1704 is at -4.509390 -1.424453 -2.788181 ESP Fit Center 1705 is at -4.509390 -1.861020 -2.788181 ESP Fit Center 1706 is at -4.351684 -2.268106 -2.788181 ESP Fit Center 1707 is at -4.057571 -2.590733 -2.788181 ESP Fit Center 1708 is at -3.666773 -2.785327 -2.788181 ESP Fit Center 1709 is at -3.232068 -2.825609 -2.788181 ESP Fit Center 1710 is at -2.812167 -2.706136 -2.788181 ESP Fit Center 1711 is at -2.463780 -2.443046 -2.788181 ESP Fit Center 1712 is at -2.233957 -2.071870 -2.788181 ESP Fit Center 1713 is at -2.501677 -1.642737 -3.055164 ESP Fit Center 1714 is at -2.614216 -1.222737 -3.055164 ESP Fit Center 1715 is at -2.921677 -0.915275 -3.055164 ESP Fit Center 1716 is at -3.341677 -0.802737 -3.055164 ESP Fit Center 1717 is at -3.761677 -0.915275 -3.055164 ESP Fit Center 1718 is at -4.069139 -1.222737 -3.055164 ESP Fit Center 1719 is at -4.181677 -1.642737 -3.055164 ESP Fit Center 1720 is at -4.069139 -2.062737 -3.055164 ESP Fit Center 1721 is at -3.761677 -2.370198 -3.055164 ESP Fit Center 1722 is at -3.341677 -2.482737 -3.055164 ESP Fit Center 1723 is at -2.921677 -2.370198 -3.055164 ESP Fit Center 1724 is at -2.614216 -2.062737 -3.055164 ESP Fit Center 1725 is at -2.906861 -1.642737 -3.222997 ESP Fit Center 1726 is at -3.124269 -1.266175 -3.222997 ESP Fit Center 1727 is at -3.559085 -1.266175 -3.222997 ESP Fit Center 1728 is at -3.776493 -1.642737 -3.222997 ESP Fit Center 1729 is at -3.559085 -2.019298 -3.222997 ESP Fit Center 1730 is at -3.124269 -2.019298 -3.222997 ESP Fit Center 1731 is at -3.341677 -1.642737 -3.280241 ESP Fit Center 1732 is at -1.594289 -0.485849 2.513356 ESP Fit Center 1733 is at -1.652028 -0.065763 2.513356 ESP Fit Center 1734 is at -1.820964 0.323167 2.513356 ESP Fit Center 1735 is at -2.088568 0.652096 2.513356 ESP Fit Center 1736 is at -1.820964 -1.294865 2.513356 ESP Fit Center 1737 is at -1.652028 -0.905935 2.513356 ESP Fit Center 1738 is at -1.312621 -0.066175 2.267105 ESP Fit Center 1739 is at -1.452108 0.332456 2.267105 ESP Fit Center 1740 is at -1.676801 0.690052 2.267105 ESP Fit Center 1741 is at -1.975433 0.988685 2.267105 ESP Fit Center 1742 is at -2.333030 1.213378 2.267105 ESP Fit Center 1743 is at -2.731660 1.352864 2.267105 ESP Fit Center 1744 is at -2.333030 -2.185075 2.267105 ESP Fit Center 1745 is at -1.975433 -1.960382 2.267105 ESP Fit Center 1746 is at -1.676801 -1.661750 2.267105 ESP Fit Center 1747 is at -1.452108 -1.304153 2.267105 ESP Fit Center 1748 is at -1.312621 -0.905523 2.267105 ESP Fit Center 1749 is at -2.247159 1.494019 1.976545 ESP Fit Center 1750 is at -2.638191 1.629356 1.976545 ESP Fit Center 1751 is at -3.047769 1.688245 1.976545 ESP Fit Center 1752 is at -3.461091 1.668556 1.976545 ESP Fit Center 1753 is at -3.047769 -2.659942 1.976545 ESP Fit Center 1754 is at -2.638191 -2.601054 1.976545 ESP Fit Center 1755 is at -2.247159 -2.465716 1.976545 ESP Fit Center 1756 is at -1.888806 -2.258821 1.976545 ESP Fit Center 1757 is at -1.576084 -1.987846 1.976545 ESP Fit Center 1758 is at -2.640898 1.882582 1.647592 ESP Fit Center 1759 is at -3.048507 1.934778 1.647592 ESP Fit Center 1760 is at -3.459074 1.917338 1.647592 ESP Fit Center 1761 is at -3.860788 1.830762 1.647592 ESP Fit Center 1762 is at -4.242092 1.677541 1.647592 ESP Fit Center 1763 is at -3.860788 -2.802459 1.647592 ESP Fit Center 1764 is at -3.459074 -2.889035 1.647592 ESP Fit Center 1765 is at -3.048507 -2.906476 1.647592 ESP Fit Center 1766 is at -2.640898 -2.854280 1.647592 ESP Fit Center 1767 is at -2.247974 -2.733948 1.647592 ESP Fit Center 1768 is at -1.881037 -2.548942 1.647592 ESP Fit Center 1769 is at -2.341790 2.005672 1.286941 ESP Fit Center 1770 is at -2.741516 2.101638 1.286941 ESP Fit Center 1771 is at -5.003770 1.366587 1.286941 ESP Fit Center 1772 is at -4.691179 -2.605263 1.286941 ESP Fit Center 1773 is at -4.340671 -2.820054 1.286941 ESP Fit Center 1774 is at -3.960878 -2.977370 1.286941 ESP Fit Center 1775 is at -3.561152 -3.073336 1.286941 ESP Fit Center 1776 is at -3.151334 -3.105589 1.286941 ESP Fit Center 1777 is at -2.741516 -3.073336 1.286941 ESP Fit Center 1778 is at -2.341790 -2.977370 1.286941 ESP Fit Center 1779 is at -1.961997 -2.820054 1.286941 ESP Fit Center 1780 is at -5.434513 1.070796 0.901936 ESP Fit Center 1781 is at -5.641017 0.713119 0.901936 ESP Fit Center 1782 is at -5.791906 0.328660 0.901936 ESP Fit Center 1783 is at -5.883810 -0.073994 0.901936 ESP Fit Center 1784 is at -5.914674 -0.485849 0.901936 ESP Fit Center 1785 is at -5.883810 -0.897703 0.901936 ESP Fit Center 1786 is at -5.791906 -1.300357 0.901936 ESP Fit Center 1787 is at -5.641017 -1.684817 0.901936 ESP Fit Center 1788 is at -5.434513 -2.042493 0.901936 ESP Fit Center 1789 is at -3.766235 -3.179906 0.901936 ESP Fit Center 1790 is at -3.357839 -3.241462 0.901936 ESP Fit Center 1791 is at -2.944829 -3.241462 0.901936 ESP Fit Center 1792 is at -2.536433 -3.179906 0.901936 ESP Fit Center 1793 is at -2.141773 -3.058169 0.901936 ESP Fit Center 1794 is at -5.637273 0.909328 0.500413 ESP Fit Center 1795 is at -5.813920 0.532504 0.500413 ESP Fit Center 1796 is at -5.933820 0.133976 0.500413 ESP Fit Center 1797 is at -5.994415 -0.277762 0.500413 ESP Fit Center 1798 is at -5.994415 -0.693935 0.500413 ESP Fit Center 1799 is at -5.933820 -1.105674 0.500413 ESP Fit Center 1800 is at -5.813920 -1.504202 0.500413 ESP Fit Center 1801 is at -3.255447 -3.334633 0.500413 ESP Fit Center 1802 is at -2.839551 -3.319433 0.500413 ESP Fit Center 1803 is at -2.430300 -3.243841 0.500413 ESP Fit Center 1804 is at -2.036417 -3.109466 0.500413 ESP Fit Center 1805 is at -5.771074 0.710546 0.090546 ESP Fit Center 1806 is at -5.914674 0.325541 0.090546 ESP Fit Center 1807 is at -6.002020 -0.075982 0.090546 ESP Fit Center 1808 is at -6.031334 -0.485849 0.090546 ESP Fit Center 1809 is at -6.002020 -0.895715 0.090546 ESP Fit Center 1810 is at -2.741467 -3.336534 0.090546 ESP Fit Center 1811 is at -2.339944 -3.249189 0.090546 ESP Fit Center 1812 is at -5.813920 0.532504 -0.319321 ESP Fit Center 1813 is at -5.933820 0.133976 -0.319321 ESP Fit Center 1814 is at -5.994415 -0.277762 -0.319321 ESP Fit Center 1815 is at -5.994415 -0.693935 -0.319321 ESP Fit Center 1816 is at -2.430300 -3.243841 -0.319321 ESP Fit Center 1817 is at -2.036417 -3.109466 -0.319321 ESP Fit Center 1818 is at -5.791906 0.328660 -0.720844 ESP Fit Center 1819 is at -5.883810 -0.073994 -0.720844 ESP Fit Center 1820 is at -5.914674 -0.485849 -0.720844 ESP Fit Center 1821 is at -2.141773 -3.058169 -0.720844 ESP Fit Center 1822 is at -5.642855 0.323695 -1.105849 ESP Fit Center 1823 is at -5.738821 -0.076031 -1.105849 ESP Fit Center 1824 is at -5.495967 0.124646 -1.466500 ESP Fit Center 1825 is at -5.565416 -0.280380 -1.466500 ESP Fit Center 1826 is at -5.239727 0.127359 -1.795453 ESP Fit Center 1827 is at -4.990047 -0.066175 -2.086013 ESP Fit Center 1828 is at -4.579474 0.134480 -2.332264 ESP Fit Center 1829 is at -2.553136 0.550260 -2.529194 ESP Fit Center 1830 is at -4.275578 -0.076657 -2.529194 ESP Fit Center 1831 is at -2.448650 -0.080154 -2.672794 ESP Fit Center 1832 is at -2.745639 0.216835 -2.672794 ESP Fit Center 1833 is at -3.151334 0.325541 -2.672794 ESP Fit Center 1834 is at -3.557029 0.216835 -2.672794 ESP Fit Center 1835 is at -3.854018 -0.080154 -2.672794 ESP Fit Center 1836 is at -2.946401 -0.130894 -2.760140 ESP Fit Center 1837 is at -3.750271 -0.535602 3.779521 ESP Fit Center 1838 is at -3.338672 -0.535602 3.741381 ESP Fit Center 1839 is at -3.544471 -0.179147 3.741381 ESP Fit Center 1840 is at -3.956070 -0.179147 3.741381 ESP Fit Center 1841 is at -4.161870 -0.535602 3.741381 ESP Fit Center 1842 is at -3.956070 -0.892057 3.741381 ESP Fit Center 1843 is at -3.544471 -0.892057 3.741381 ESP Fit Center 1844 is at -2.941089 -0.535602 3.628259 ESP Fit Center 1845 is at -3.049499 -0.131011 3.628259 ESP Fit Center 1846 is at -3.345680 0.165170 3.628259 ESP Fit Center 1847 is at -3.750271 0.273580 3.628259 ESP Fit Center 1848 is at -4.154861 0.165170 3.628259 ESP Fit Center 1849 is at -4.451042 -0.131011 3.628259 ESP Fit Center 1850 is at -4.559452 -0.535602 3.628259 ESP Fit Center 1851 is at -4.451042 -0.940192 3.628259 ESP Fit Center 1852 is at -4.154861 -1.236373 3.628259 ESP Fit Center 1853 is at -3.750271 -1.344783 3.628259 ESP Fit Center 1854 is at -3.345680 -1.236373 3.628259 ESP Fit Center 1855 is at -3.049499 -0.940192 3.628259 ESP Fit Center 1856 is at -2.571063 -0.535602 3.444008 ESP Fit Center 1857 is at -2.650692 -0.109623 3.444008 ESP Fit Center 1858 is at -2.878825 0.258826 3.444008 ESP Fit Center 1859 is at -3.224652 0.519982 3.444008 ESP Fit Center 1860 is at -3.641467 0.638576 3.444008 ESP Fit Center 1861 is at -4.072976 0.598591 3.444008 ESP Fit Center 1862 is at -4.460902 0.405427 3.444008 ESP Fit Center 1863 is at -4.752854 0.085171 3.444008 ESP Fit Center 1864 is at -4.909400 -0.318923 3.444008 ESP Fit Center 1865 is at -4.909400 -0.752281 3.444008 ESP Fit Center 1866 is at -4.752854 -1.156375 3.444008 ESP Fit Center 1867 is at -4.460902 -1.476630 3.444008 ESP Fit Center 1868 is at -4.072976 -1.669794 3.444008 ESP Fit Center 1869 is at -3.641467 -1.709779 3.444008 ESP Fit Center 1870 is at -3.224652 -1.591185 3.444008 ESP Fit Center 1871 is at -2.878825 -1.330029 3.444008 ESP Fit Center 1872 is at -2.650692 -0.961581 3.444008 ESP Fit Center 1873 is at -2.241192 -0.535602 3.194901 ESP Fit Center 1874 is at -2.302321 -0.110445 3.194901 ESP Fit Center 1875 is at -2.480753 0.280268 3.194901 ESP Fit Center 1876 is at -2.762035 0.604884 3.194901 ESP Fit Center 1877 is at -3.123377 0.837104 3.194901 ESP Fit Center 1878 is at -3.535506 0.958116 3.194901 ESP Fit Center 1879 is at -3.965035 0.958116 3.194901 ESP Fit Center 1880 is at -4.377164 0.837104 3.194901 ESP Fit Center 1881 is at -4.738507 0.604884 3.194901 ESP Fit Center 1882 is at -5.019788 0.280268 3.194901 ESP Fit Center 1883 is at -5.198221 -0.110445 3.194901 ESP Fit Center 1884 is at -5.259349 -0.535602 3.194901 ESP Fit Center 1885 is at -5.198221 -0.960758 3.194901 ESP Fit Center 1886 is at -5.019788 -1.351471 3.194901 ESP Fit Center 1887 is at -4.738507 -1.676087 3.194901 ESP Fit Center 1888 is at -4.377164 -1.908307 3.194901 ESP Fit Center 1889 is at -3.965035 -2.029320 3.194901 ESP Fit Center 1890 is at -3.535506 -2.029320 3.194901 ESP Fit Center 1891 is at -3.123377 -1.908307 3.194901 ESP Fit Center 1892 is at -2.762035 -1.676087 3.194901 ESP Fit Center 1893 is at -2.480753 -1.351471 3.194901 ESP Fit Center 1894 is at -2.302321 -0.960758 3.194901 ESP Fit Center 1895 is at -1.962712 -0.535602 2.889423 ESP Fit Center 1896 is at -2.010896 -0.123362 2.889423 ESP Fit Center 1897 is at -2.152850 0.266653 2.889423 ESP Fit Center 1898 is at -2.380921 0.613419 2.889423 ESP Fit Center 1899 is at -2.682815 0.898241 2.889423 ESP Fit Center 1900 is at -3.042255 1.105763 2.889423 ESP Fit Center 1901 is at -3.439864 1.224800 2.889423 ESP Fit Center 1902 is at -3.854208 1.248933 2.889423 ESP Fit Center 1903 is at -4.262948 1.176861 2.889423 ESP Fit Center 1904 is at -4.644050 1.012470 2.889423 ESP Fit Center 1905 is at -4.976968 0.764621 2.889423 ESP Fit Center 1906 is at -5.243754 0.446678 2.889423 ESP Fit Center 1907 is at -5.430026 0.075779 2.889423 ESP Fit Center 1908 is at -5.525742 -0.328079 2.889423 ESP Fit Center 1909 is at -5.525742 -0.743125 2.889423 ESP Fit Center 1910 is at -5.430026 -1.146983 2.889423 ESP Fit Center 1911 is at -5.243754 -1.517881 2.889423 ESP Fit Center 1912 is at -4.976968 -1.835825 2.889423 ESP Fit Center 1913 is at -4.644050 -2.083673 2.889423 ESP Fit Center 1914 is at -4.262948 -2.248064 2.889423 ESP Fit Center 1915 is at -3.854208 -2.320136 2.889423 ESP Fit Center 1916 is at -3.439864 -2.296003 2.889423 ESP Fit Center 1917 is at -3.042255 -2.176967 2.889423 ESP Fit Center 1918 is at -2.682815 -1.969444 2.889423 ESP Fit Center 1919 is at -2.380921 -1.684622 2.889423 ESP Fit Center 1920 is at -2.152850 -1.337856 2.889423 ESP Fit Center 1921 is at -2.010896 -0.947841 2.889423 ESP Fit Center 1922 is at -2.128057 0.643005 2.537975 ESP Fit Center 1923 is at -2.408553 0.954527 2.537975 ESP Fit Center 1924 is at -2.747688 1.200923 2.537975 ESP Fit Center 1925 is at -3.130640 1.371424 2.537975 ESP Fit Center 1926 is at -3.540674 1.458580 2.537975 ESP Fit Center 1927 is at -3.959868 1.458580 2.537975 ESP Fit Center 1928 is at -4.369901 1.371424 2.537975 ESP Fit Center 1929 is at -4.752854 1.200923 2.537975 ESP Fit Center 1930 is at -5.091988 0.954527 2.537975 ESP Fit Center 1931 is at -5.372484 0.643005 2.537975 ESP Fit Center 1932 is at -5.582081 0.279973 2.537975 ESP Fit Center 1933 is at -5.711619 -0.118704 2.537975 ESP Fit Center 1934 is at -5.755436 -0.535602 2.537975 ESP Fit Center 1935 is at -5.711619 -0.952499 2.537975 ESP Fit Center 1936 is at -5.582081 -1.351176 2.537975 ESP Fit Center 1937 is at -5.372484 -1.714208 2.537975 ESP Fit Center 1938 is at -5.091988 -2.025730 2.537975 ESP Fit Center 1939 is at -4.752854 -2.272126 2.537975 ESP Fit Center 1940 is at -4.369901 -2.442628 2.537975 ESP Fit Center 1941 is at -3.959868 -2.529783 2.537975 ESP Fit Center 1942 is at -3.540674 -2.529783 2.537975 ESP Fit Center 1943 is at -3.130640 -2.442628 2.537975 ESP Fit Center 1944 is at -2.747688 -2.272126 2.537975 ESP Fit Center 1945 is at -2.408553 -2.025730 2.537975 ESP Fit Center 1946 is at -2.128057 -1.714208 2.537975 ESP Fit Center 1947 is at -3.329951 1.577490 2.152526 ESP Fit Center 1948 is at -3.750271 1.618888 2.152526 ESP Fit Center 1949 is at -4.170591 1.577490 2.152526 ESP Fit Center 1950 is at -4.574758 1.454887 2.152526 ESP Fit Center 1951 is at -4.947241 1.255791 2.152526 ESP Fit Center 1952 is at -5.273725 0.987852 2.152526 ESP Fit Center 1953 is at -5.541663 0.661369 2.152526 ESP Fit Center 1954 is at -5.740759 0.288886 2.152526 ESP Fit Center 1955 is at -5.863362 -0.115282 2.152526 ESP Fit Center 1956 is at -5.904760 -0.535602 2.152526 ESP Fit Center 1957 is at -5.863362 -0.955922 2.152526 ESP Fit Center 1958 is at -5.740759 -1.360089 2.152526 ESP Fit Center 1959 is at -5.541663 -1.732572 2.152526 ESP Fit Center 1960 is at -5.273725 -2.059056 2.152526 ESP Fit Center 1961 is at -4.947241 -2.326994 2.152526 ESP Fit Center 1962 is at -4.574758 -2.526090 2.152526 ESP Fit Center 1963 is at -4.170591 -2.648693 2.152526 ESP Fit Center 1964 is at -3.750271 -2.690091 2.152526 ESP Fit Center 1965 is at -3.329951 -2.648693 2.152526 ESP Fit Center 1966 is at -2.925783 -2.526090 2.152526 ESP Fit Center 1967 is at -4.479778 1.572170 1.746202 ESP Fit Center 1968 is at -4.865493 1.396020 1.746202 ESP Fit Center 1969 is at -5.210901 1.150056 1.746202 ESP Fit Center 1970 is at -5.503519 0.843168 1.746202 ESP Fit Center 1971 is at -5.732769 0.486447 1.746202 ESP Fit Center 1972 is at -5.890367 0.092787 1.746202 ESP Fit Center 1973 is at -5.970616 -0.323584 1.746202 ESP Fit Center 1974 is at -5.970616 -0.747619 1.746202 ESP Fit Center 1975 is at -5.890367 -1.163990 1.746202 ESP Fit Center 1976 is at -5.732769 -1.557650 1.746202 ESP Fit Center 1977 is at -5.503519 -1.914371 1.746202 ESP Fit Center 1978 is at -5.210901 -2.221259 1.746202 ESP Fit Center 1979 is at -4.865493 -2.467223 1.746202 ESP Fit Center 1980 is at -4.479778 -2.643374 1.746202 ESP Fit Center 1981 is at -4.067696 -2.743343 1.746202 ESP Fit Center 1982 is at -5.210901 1.150056 1.332840 ESP Fit Center 1983 is at -5.503519 0.843168 1.332840 ESP Fit Center 1984 is at -5.732769 0.486447 1.332840 ESP Fit Center 1985 is at -5.890367 0.092787 1.332840 ESP Fit Center 1986 is at -5.970616 -0.323584 1.332840 ESP Fit Center 1987 is at -5.970616 -0.747619 1.332840 ESP Fit Center 1988 is at -5.890367 -1.163990 1.332840 ESP Fit Center 1989 is at -5.732769 -1.557650 1.332840 ESP Fit Center 1990 is at -5.503519 -1.914371 1.332840 ESP Fit Center 1991 is at -5.210901 -2.221259 1.332840 ESP Fit Center 1992 is at -4.865493 -2.467223 1.332840 ESP Fit Center 1993 is at -3.448165 2.068502 1.449949 ESP Fit Center 1994 is at -3.879674 2.028516 1.449949 ESP Fit Center 1995 is at -4.267600 1.835352 1.449949 ESP Fit Center 1996 is at -2.930075 2.267030 1.200843 ESP Fit Center 1997 is at -3.342204 2.388042 1.200843 ESP Fit Center 1998 is at -3.771733 2.388042 1.200843 ESP Fit Center 1999 is at -4.183862 2.267030 1.200843 ESP Fit Center 2000 is at -4.545204 2.034809 1.200843 ESP Fit Center 2001 is at -4.826486 1.710193 1.200843 ESP Fit Center 2002 is at -2.489512 2.328166 0.895365 ESP Fit Center 2003 is at -2.848953 2.535689 0.895365 ESP Fit Center 2004 is at -3.246562 2.654725 0.895365 ESP Fit Center 2005 is at -3.660906 2.678858 0.895365 ESP Fit Center 2006 is at -4.069646 2.606786 0.895365 ESP Fit Center 2007 is at -4.450748 2.442395 0.895365 ESP Fit Center 2008 is at 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ESP Fit Center 2154 is at -6.016767 -2.203457 -0.534856 ESP Fit Center 2155 is at -5.859169 -2.597117 -0.534856 ESP Fit Center 2156 is at -5.629918 -2.953838 -0.534856 ESP Fit Center 2157 is at -5.337301 -3.260726 -0.534856 ESP Fit Center 2158 is at -4.991893 -3.506690 -0.534856 ESP Fit Center 2159 is at -4.606178 -3.682840 -0.534856 ESP Fit Center 2160 is at -4.194096 -3.782810 -0.534856 ESP Fit Center 2161 is at -3.770542 -3.802986 -0.534856 ESP Fit Center 2162 is at -3.350823 -3.742640 -0.534856 ESP Fit Center 2163 is at -2.950110 -3.603952 -0.534856 ESP Fit Center 2164 is at -2.582886 -3.391935 -0.534856 ESP Fit Center 2165 is at -5.859169 -0.553019 -0.948219 ESP Fit Center 2166 is at -6.016767 -0.946679 -0.948219 ESP Fit Center 2167 is at -6.097016 -1.363051 -0.948219 ESP Fit Center 2168 is at -6.097016 -1.787085 -0.948219 ESP Fit Center 2169 is at -6.016767 -2.203457 -0.948219 ESP Fit Center 2170 is at -5.859169 -2.597117 -0.948219 ESP Fit Center 2171 is at -5.629918 -2.953838 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2225 is at -4.879254 -0.954295 -2.646024 ESP Fit Center 2226 is at -5.035800 -1.358389 -2.646024 ESP Fit Center 2227 is at -5.035800 -1.791747 -2.646024 ESP Fit Center 2228 is at -4.879254 -2.195841 -2.646024 ESP Fit Center 2229 is at -1.260189 -0.555215 2.281351 ESP Fit Center 2230 is at -1.266520 0.155661 2.173075 ESP Fit Center 2231 is at -1.266520 -1.266090 2.173075 ESP Fit Center 2232 is at -1.357691 -2.365790 -1.624877 ESP Fit Center 2233 is at -0.948749 -2.243361 -1.624877 ESP Fit Center 2234 is at -0.579064 -2.029923 -1.624877 ESP Fit Center 2235 is at -1.363075 -2.065638 -1.920694 ESP Fit Center 2236 is at -0.967206 -1.924946 -1.920694 ESP Fit Center 2237 is at -1.468566 -1.736984 -2.160648 ESP Fit Center 2238 is at -1.076944 -1.594445 -2.160648 ESP Fit Center 2239 is at -1.266520 -1.266090 -2.337449 ESP Fit Center 2240 is at -1.468566 -0.916135 -2.445726 ESP Fit Center 2241 is at -1.329520 -1.810474 1.999449 ESP Fit Center 2242 is at -0.902280 -1.810474 1.999449 ESP Fit Center 2243 is at -1.532428 -2.161921 1.857447 ESP Fit Center 2244 is at -1.115900 -2.273530 1.857447 ESP Fit Center 2245 is at -0.699371 -2.161921 1.857447 ESP Fit Center 2246 is at -1.714450 -2.477192 1.628704 ESP Fit Center 2247 is at -1.323774 -2.619387 1.628704 ESP Fit Center 2248 is at -0.908025 -2.619387 1.628704 ESP Fit Center 2249 is at -0.517349 -2.477192 1.628704 ESP Fit Center 2250 is at -1.739486 -2.805937 1.324688 ESP Fit Center 2251 is at -1.329531 -2.926310 1.324688 ESP Fit Center 2252 is at -0.902268 -2.926310 1.324688 ESP Fit Center 2253 is at -0.492313 -2.805937 1.324688 ESP Fit Center 2254 is at -1.729317 -3.057921 0.960644 ESP Fit Center 2255 is at -1.324411 -3.157721 0.960644 ESP Fit Center 2256 is at -0.907388 -3.157721 0.960644 ESP Fit Center 2257 is at -0.502483 -3.057921 0.960644 ESP Fit Center 2258 is at -1.928070 -3.126962 0.554827 ESP Fit Center 2259 is at -1.532428 -3.265403 0.554827 ESP Fit Center 2260 is at -1.115900 -3.312335 0.554827 ESP Fit Center 2261 is at -0.699371 -3.265403 0.554827 ESP Fit Center 2262 is at -0.303729 -3.126962 0.554827 ESP Fit Center 2263 is at -1.826565 -3.224108 0.127587 ESP Fit Center 2264 is at -1.426521 -3.335180 0.127587 ESP Fit Center 2265 is at -1.011953 -3.357657 0.127587 ESP Fit Center 2266 is at -0.602245 -3.290489 0.127587 ESP Fit Center 2267 is at -0.216555 -3.136816 0.127587 ESP Fit Center 2268 is at -1.928070 -3.126962 -0.299653 ESP Fit Center 2269 is at -1.532428 -3.265403 -0.299653 ESP Fit Center 2270 is at -1.115900 -3.312335 -0.299653 ESP Fit Center 2271 is at -0.699371 -3.265403 -0.299653 ESP Fit Center 2272 is at -0.303729 -3.126962 -0.299653 ESP Fit Center 2273 is at -1.729317 -3.057921 -0.705470 ESP Fit Center 2274 is at -1.324411 -3.157721 -0.705470 ESP Fit Center 2275 is at -0.907388 -3.157721 -0.705470 ESP Fit Center 2276 is at -0.502483 -3.057921 -0.705470 ESP Fit Center 2277 is at -0.133227 -2.864120 -0.705470 ESP Fit Center 2278 is at -1.739486 -2.805937 -1.069513 ESP Fit Center 2279 is at -1.329531 -2.926310 -1.069513 ESP Fit Center 2280 is at -0.902268 -2.926310 -1.069513 ESP Fit Center 2281 is at -0.492313 -2.805937 -1.069513 ESP Fit Center 2282 is at -1.323774 -2.619387 -1.373529 ESP Fit Center 2283 is at -0.908025 -2.619387 -1.373529 ESP Fit Center 2284 is at -0.517349 -2.477192 -1.373529 ESP Fit Center 2285 is at -0.699371 -2.161921 -1.602273 ESP Fit Center 2286 is at -0.907239 1.731320 -2.631797 ESP Fit Center 2287 is at -1.323994 1.731320 -2.631797 ESP Fit Center 2288 is at -2.243248 0.959975 -2.631797 ESP Fit Center 2289 is at -2.315616 0.549551 -2.631797 ESP Fit Center 2290 is at -2.243248 0.139126 -2.631797 ESP Fit Center 2291 is at -2.034870 -0.221794 -2.631797 ESP Fit Center 2292 is at -1.715616 -0.489680 -2.631797 ESP Fit Center 2293 is at -1.323994 -0.632219 -2.631797 ESP Fit Center 2294 is at -1.115616 1.370399 -2.808598 ESP Fit Center 2295 is at -1.526041 1.260426 -2.808598 ESP Fit Center 2296 is at -1.826492 0.959975 -2.808598 ESP Fit Center 2297 is at -1.936465 0.549551 -2.808598 ESP Fit Center 2298 is at -1.826492 0.139126 -2.808598 ESP Fit Center 2299 is at -1.526041 -0.161325 -2.808598 ESP Fit Center 2300 is at -1.115616 -0.271298 -2.808598 ESP Fit Center 2301 is at -0.907239 0.910472 -2.916875 ESP Fit Center 2302 is at -1.323994 0.910472 -2.916875 ESP Fit Center 2303 is at -1.532372 0.549551 -2.916875 ESP Fit Center 2304 is at -1.323994 0.188630 -2.916875 ESP Fit Center 2305 is at -0.907239 0.188630 -2.916875 ESP Fit Center 2306 is at -1.115616 0.549551 -2.953336 ESP Fit Center 2307 is at -2.290528 2.444489 0.742281 ESP Fit Center 2308 is at -2.315564 2.773234 0.438265 ESP Fit Center 2309 is at -1.483466 3.125018 0.074222 ESP Fit Center 2310 is at -1.900489 3.125018 0.074222 ESP Fit Center 2311 is at -2.305395 3.025218 0.074222 ESP Fit Center 2312 is at -1.691978 3.279632 -0.331595 ESP Fit Center 2313 is at -2.108506 3.232700 -0.331595 ESP Fit Center 2314 is at -2.504148 3.094259 -0.331595 ESP Fit Center 2315 is at -1.178323 3.257786 -0.758835 ESP Fit Center 2316 is at -1.588031 3.324954 -0.758835 ESP Fit Center 2317 is at -2.002599 3.302477 -0.758835 ESP Fit Center 2318 is at -2.402643 3.191405 -0.758835 ESP Fit Center 2319 is at -2.769457 2.996933 -0.758835 ESP Fit Center 2320 is at -1.275449 3.232700 -1.186075 ESP Fit Center 2321 is at -1.691978 3.279632 -1.186075 ESP Fit Center 2322 is at -2.108506 3.232700 -1.186075 ESP Fit Center 2323 is at -2.504148 3.094259 -1.186075 ESP Fit Center 2324 is at -1.078561 3.025218 -1.591892 ESP Fit Center 2325 is at -1.483466 3.125018 -1.591892 ESP Fit Center 2326 is at -1.900489 3.125018 -1.591892 ESP Fit Center 2327 is at -2.305395 3.025218 -1.591892 ESP Fit Center 2328 is at -2.674650 2.831417 -1.591892 ESP Fit Center 2329 is at -1.068392 2.773234 -1.955935 ESP Fit Center 2330 is at -1.478347 2.893607 -1.955935 ESP Fit Center 2331 is at -1.905609 2.893607 -1.955935 ESP Fit Center 2332 is at -2.315564 2.773234 -1.955935 ESP Fit Center 2333 is at -2.675000 2.542238 -1.955935 ESP Fit Center 2334 is at -1.093428 2.444489 -2.259951 ESP Fit Center 2335 is at -1.484104 2.586684 -2.259951 ESP Fit Center 2336 is at -1.899852 2.586684 -2.259951 ESP Fit Center 2337 is at -2.290528 2.444489 -2.259951 ESP Fit Center 2338 is at -2.609010 2.177251 -2.259951 ESP Fit Center 2339 is at -1.275449 2.129218 -2.488695 ESP Fit Center 2340 is at -1.691978 2.240827 -2.488695 ESP Fit Center 2341 is at -2.108506 2.129218 -2.488695 ESP Fit Center 2342 is at -2.413426 1.824299 -2.488695 ESP Fit Center 2343 is at -2.525035 1.407770 -2.488695 ESP Fit Center 2344 is at -1.478358 1.777771 -2.630697 ESP Fit Center 2345 is at -1.905598 1.777771 -2.630697 ESP Fit Center 2346 is at -2.119218 1.407770 -2.630697 ESP Fit Center 2347 is at -0.637643 1.294941 -2.847593 ESP Fit Center 2348 is at -0.429265 0.934020 -3.024394 ESP Fit Center 2349 is at -0.539238 0.523596 -3.024394 ESP Fit Center 2350 is at 0.073233 0.884517 -3.132670 ESP Fit Center 2351 is at -0.135145 0.523596 -3.132670 ESP Fit Center 2352 is at 0.281611 0.523596 -3.169132 ESP Fit Center 2353 is at -0.357716 -1.999292 -1.856915 ESP Fit Center 2354 is at -0.840365 -1.459913 -2.262732 ESP Fit Center 2355 is at -0.528218 -1.736450 -2.262732 ESP Fit Center 2356 is at -0.985856 -0.735716 -2.626776 ESP Fit Center 2357 is at -0.808365 -1.124368 -2.626776 ESP Fit Center 2358 is at -0.528568 -1.447271 -2.626776 ESP Fit Center 2359 is at -0.169132 -1.678267 -2.626776 ESP Fit Center 2360 is at 1.579361 0.096629 -2.930792 ESP Fit Center 2361 is at 1.371486 0.456678 -2.930792 ESP Fit Center 2362 is at -0.670452 0.096629 -2.930792 ESP Fit Center 2363 is at -0.742646 -0.312803 -2.930792 ESP Fit Center 2364 is at -0.670452 -0.722235 -2.930792 ESP Fit Center 2365 is at -0.462578 -1.082284 -2.930792 ESP Fit Center 2366 is at -0.144096 -1.349522 -2.930792 ESP Fit Center 2367 is at 0.246580 -1.491717 -2.930792 ESP Fit Center 2368 is at 1.287511 -0.312803 -3.159535 ESP Fit Center 2369 is at 1.175903 0.103725 -3.159535 ESP Fit Center 2370 is at 0.870983 0.408645 -3.159535 ESP Fit Center 2371 is at 0.037926 0.408645 -3.159535 ESP Fit Center 2372 is at -0.266994 0.103725 -3.159535 ESP Fit Center 2373 is at -0.378603 -0.312803 -3.159535 ESP Fit Center 2374 is at -0.266994 -0.729331 -3.159535 ESP Fit Center 2375 is at 0.037926 -1.034251 -3.159535 ESP Fit Center 2376 is at 0.454454 -1.145860 -3.159535 ESP Fit Center 2377 is at 0.881694 -0.312803 -3.301537 ESP Fit Center 2378 is at 0.668074 0.057198 -3.301537 ESP Fit Center 2379 is at 0.240834 0.057198 -3.301537 ESP Fit Center 2380 is at 0.027214 -0.312803 -3.301537 ESP Fit Center 2381 is at 0.240834 -0.682804 -3.301537 ESP Fit Center 2382 is at 0.668074 -0.682804 -3.301537 ESP Fit Center 2383 is at 0.454454 -0.312803 -3.349675 ESP Fit Center 2384 is at -0.894149 3.224500 -1.424734 ESP Fit Center 2385 is at 3.013589 1.845731 -1.831058 ESP Fit Center 2386 is at 2.972191 2.266051 -1.831058 ESP Fit Center 2387 is at -0.337871 3.637123 -1.831058 ESP Fit Center 2388 is at -0.664355 3.369185 -1.831058 ESP Fit Center 2389 is at -0.932293 3.042701 -1.831058 ESP Fit Center 2390 is at 2.849588 1.021243 -1.831058 ESP Fit Center 2391 is at 2.972191 1.425411 -1.831058 ESP Fit Center 2392 is at 2.864265 1.845731 -2.216507 ESP Fit Center 2393 is at 2.820447 2.262628 -2.216507 ESP Fit Center 2394 is at 2.690909 2.661305 -2.216507 ESP Fit Center 2395 is at 2.481312 3.024338 -2.216507 ESP Fit Center 2396 is at 0.649502 3.839912 -2.216507 ESP Fit Center 2397 is at 0.239469 3.752757 -2.216507 ESP Fit Center 2398 is at -0.143484 3.582255 -2.216507 ESP Fit Center 2399 is at -0.482619 3.335859 -2.216507 ESP Fit Center 2400 is at -0.763114 3.024338 -2.216507 ESP Fit Center 2401 is at -0.972711 2.661305 -2.216507 ESP Fit Center 2402 is at 2.481312 0.667124 -2.216507 ESP Fit Center 2403 is at 2.690909 1.030156 -2.216507 ESP Fit Center 2404 is at 2.820447 1.428833 -2.216507 ESP Fit Center 2405 is at 2.646658 1.845731 -2.567955 ESP Fit Center 2406 is at 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-2.873433 ESP Fit Center 2425 is at 2.128617 2.661600 -2.873433 ESP Fit Center 2426 is at 1.847335 2.986216 -2.873433 ESP Fit Center 2427 is at 1.485993 3.218437 -2.873433 ESP Fit Center 2428 is at 1.073863 3.339449 -2.873433 ESP Fit Center 2429 is at 0.644335 3.339449 -2.873433 ESP Fit Center 2430 is at 0.232205 3.218437 -2.873433 ESP Fit Center 2431 is at -0.129137 2.986216 -2.873433 ESP Fit Center 2432 is at -0.410418 2.661600 -2.873433 ESP Fit Center 2433 is at -0.588851 2.270887 -2.873433 ESP Fit Center 2434 is at -0.649979 1.845731 -2.873433 ESP Fit Center 2435 is at -0.588851 1.420574 -2.873433 ESP Fit Center 2436 is at 1.485993 0.473025 -2.873433 ESP Fit Center 2437 is at 1.847335 0.705246 -2.873433 ESP Fit Center 2438 is at 2.128617 1.029862 -2.873433 ESP Fit Center 2439 is at 2.307049 1.420574 -2.873433 ESP Fit Center 2440 is at 2.038307 1.845731 -3.122540 ESP Fit Center 2441 is at 1.958678 2.271710 -3.122540 ESP Fit Center 2442 is at 1.730544 2.640158 -3.122540 ESP Fit Center 2443 is at 1.384717 2.901315 -3.122540 ESP Fit Center 2444 is at 0.967903 3.019909 -3.122540 ESP Fit Center 2445 is at 0.536394 2.979923 -3.122540 ESP Fit Center 2446 is at 0.148468 2.786759 -3.122540 ESP Fit Center 2447 is at -0.143484 2.466504 -3.122540 ESP Fit Center 2448 is at -0.300031 2.062410 -3.122540 ESP Fit Center 2449 is at -0.300031 1.629052 -3.122540 ESP Fit Center 2450 is at -0.143484 1.224958 -3.122540 ESP Fit Center 2451 is at 0.967903 0.671553 -3.122540 ESP Fit Center 2452 is at 1.384717 0.790147 -3.122540 ESP Fit Center 2453 is at 1.730544 1.051304 -3.122540 ESP Fit Center 2454 is at 1.958678 1.419752 -3.122540 ESP Fit Center 2455 is at 1.668280 1.845731 -3.306791 ESP Fit Center 2456 is at 1.559871 2.250322 -3.306791 ESP Fit Center 2457 is at 1.263690 2.546502 -3.306791 ESP Fit Center 2458 is at 0.859099 2.654912 -3.306791 ESP Fit Center 2459 is at 0.454508 2.546502 -3.306791 ESP Fit Center 2460 is at 0.158328 2.250322 -3.306791 ESP Fit Center 2461 is at 0.049918 1.845731 -3.306791 ESP Fit Center 2462 is at 0.158328 1.441140 -3.306791 ESP Fit Center 2463 is at 0.454508 1.144959 -3.306791 ESP Fit Center 2464 is at 0.859099 1.036550 -3.306791 ESP Fit Center 2465 is at 1.263690 1.144959 -3.306791 ESP Fit Center 2466 is at 1.559871 1.441140 -3.306791 ESP Fit Center 2467 is at 1.270698 1.845731 -3.419913 ESP Fit Center 2468 is at 1.064899 2.202186 -3.419913 ESP Fit Center 2469 is at 0.653300 2.202186 -3.419913 ESP Fit Center 2470 is at 0.447500 1.845731 -3.419913 ESP Fit Center 2471 is at 0.653300 1.489276 -3.419913 ESP Fit Center 2472 is at 1.064899 1.489276 -3.419913 ESP Fit Center 2473 is at 0.859099 1.845731 -3.458053 ESP Fit Center 2474 is at 2.892644 2.839565 1.865496 ESP Fit Center 2475 is at 3.196111 2.847341 -1.515701 ESP Fit Center 2476 is at 2.949852 2.423352 -1.811517 ESP Fit Center 2477 is at 2.892644 2.839565 -1.811517 ESP Fit Center 2478 is at 3.289133 2.098193 1.828450 ESP Fit Center 2479 is at 3.177525 2.514721 1.828450 ESP Fit Center 2480 is at 3.177525 1.681664 1.828450 ESP Fit Center 2481 is at 3.653177 2.098193 1.599706 ESP Fit Center 2482 is at 3.580983 2.507625 1.599706 ESP Fit Center 2483 is at 3.373108 2.867674 1.599706 ESP Fit Center 2484 is at 3.580983 1.688760 1.599706 ESP Fit Center 2485 is at 3.957193 2.098193 1.295690 ESP Fit Center 2486 is at 3.896387 2.521106 1.295690 ESP Fit Center 2487 is at 3.718896 2.909758 1.295690 ESP Fit Center 2488 is at 3.439099 3.232661 1.295690 ESP Fit Center 2489 is at 3.896387 1.675280 1.295690 ESP Fit Center 2490 is at 4.185937 2.098193 0.931646 ESP Fit Center 2491 is at 4.135670 2.512176 0.931646 ESP Fit Center 2492 is at 3.987791 2.902099 0.931646 ESP Fit Center 2493 is at 3.750895 3.245302 0.931646 ESP Fit Center 2494 is at 4.135670 1.684210 0.931646 ESP Fit Center 2495 is at 4.327938 2.098193 0.525830 ESP Fit Center 2496 is at 4.281006 2.514721 0.525830 ESP Fit Center 2497 is at 4.142565 2.910363 0.525830 ESP Fit Center 2498 is at 3.919557 3.265279 0.525830 ESP Fit Center 2499 is at 4.142565 1.286023 0.525830 ESP Fit Center 2500 is at 4.281006 1.681664 0.525830 ESP Fit Center 2501 is at 4.376076 2.098193 0.098589 ESP Fit Center 2502 is at 4.331188 2.510936 0.098589 ESP Fit Center 2503 is at 4.198621 2.904380 0.098589 ESP Fit Center 2504 is at 3.984575 3.260127 0.098589 ESP Fit Center 2505 is at 3.699058 3.561544 0.098589 ESP Fit Center 2506 is at 4.198621 1.292006 0.098589 ESP Fit Center 2507 is at 4.331188 1.685450 0.098589 ESP Fit Center 2508 is at 4.327938 2.098193 -0.328651 ESP Fit Center 2509 is at 4.281006 2.514721 -0.328651 ESP Fit Center 2510 is at 4.142565 2.910363 -0.328651 ESP Fit Center 2511 is at 3.919557 3.265279 -0.328651 ESP Fit Center 2512 is at 4.142565 1.286023 -0.328651 ESP Fit Center 2513 is at 4.281006 1.681664 -0.328651 ESP Fit Center 2514 is at 4.185937 2.098193 -0.734467 ESP Fit Center 2515 is at 4.135670 2.512176 -0.734467 ESP Fit Center 2516 is at 3.987791 2.902099 -0.734467 ESP Fit Center 2517 is at 3.750895 3.245302 -0.734467 ESP Fit Center 2518 is at 3.987791 1.294287 -0.734467 ESP Fit Center 2519 is at 4.135670 1.684210 -0.734467 ESP Fit Center 2520 is at 3.957193 2.098193 -1.098511 ESP Fit Center 2521 is at 3.896387 2.521106 -1.098511 ESP Fit Center 2522 is at 3.718896 2.909758 -1.098511 ESP Fit Center 2523 is at 3.439099 3.232661 -1.098511 ESP Fit Center 2524 is at 3.718896 1.286628 -1.098511 ESP Fit Center 2525 is at 3.896387 1.675280 -1.098511 ESP Fit Center 2526 is at 3.653177 2.098193 -1.402527 ESP Fit Center 2527 is at 3.580983 2.507625 -1.402527 ESP Fit Center 2528 is at 3.373108 2.867674 -1.402527 ESP Fit Center 2529 is at 3.373108 1.328712 -1.402527 ESP Fit Center 2530 is at 3.580983 1.688760 -1.402527 ESP Fit Center 2531 is at 3.289133 2.098193 -1.631271 ESP Fit Center 2532 is at 3.177525 2.514721 -1.631271 ESP Fit Center 2533 is at 3.177525 1.681664 -1.631271 ESP Fit Center 2534 is at 0.120983 3.962035 2.175770 ESP Fit Center 2535 is at 0.124301 4.935608 1.935816 ESP Fit Center 2536 is at -0.093990 4.576645 1.935816 ESP Fit Center 2537 is at -0.207339 4.172098 1.935816 ESP Fit Center 2538 is at 0.401730 5.554229 1.639999 ESP Fit Center 2539 is at 0.800011 5.974146 1.297309 ESP Fit Center 2540 is at 0.405641 5.828087 1.297309 ESP Fit Center 2541 is at 1.428293 6.214743 0.918157 ESP Fit Center 2542 is at 1.000026 6.194342 0.918157 ESP Fit Center 2543 is at 0.583359 6.093260 0.918157 ESP Fit Center 2544 is at 3.535490 3.535224 0.918157 ESP Fit Center 2545 is at 3.684521 3.962035 0.514065 ESP Fit Center 2546 is at 3.646538 4.384061 0.514065 ESP Fit Center 2547 is at 3.533810 4.792523 0.514065 ESP Fit Center 2548 is at 2.440990 6.043357 0.514065 ESP Fit Center 2549 is at 2.051356 6.209894 0.514065 ESP Fit Center 2550 is at 1.638248 6.304183 0.514065 ESP Fit Center 2551 is at 1.214943 6.323194 0.514065 ESP Fit Center 2552 is at 0.795046 6.266315 0.514065 ESP Fit Center 2553 is at 0.392053 6.135375 0.514065 ESP Fit Center 2554 is at 3.720983 3.962035 0.097309 ESP Fit Center 2555 is at 3.684521 4.378791 0.097309 ESP Fit Center 2556 is at 3.576245 4.782884 0.097309 ESP Fit Center 2557 is at 2.520983 6.040496 0.097309 ESP Fit Center 2558 is at 2.141831 6.217297 0.097309 ESP Fit Center 2559 is at 1.737738 6.325574 0.097309 ESP Fit Center 2560 is at 1.320983 6.362035 0.097309 ESP Fit Center 2561 is at 0.904227 6.325574 0.097309 ESP Fit Center 2562 is at 0.500135 6.217297 0.097309 ESP Fit Center 2563 is at 1.638248 6.304183 -0.319447 ESP Fit Center 2564 is at 1.214943 6.323194 -0.319447 ESP Fit Center 2565 is at 0.795046 6.266315 -0.319447 ESP Fit Center 2566 is at 1.000026 6.194342 -0.723539 ESP Fit Center 2567 is at 0.583359 6.093260 -0.723539 ESP Fit Center 2568 is at 0.800011 5.974146 -1.102691 ESP Fit Center 2569 is at 0.405641 5.828087 -1.102691 ESP Fit Center 2570 is at 0.401730 5.554229 -1.445381 ESP Fit Center 2571 is at 0.431344 5.222367 -1.741198 ESP Fit Center 2572 is at 0.401730 4.733380 -1.981152 ESP Fit Center 2573 is at 0.193352 4.372459 -1.981152 ESP Fit Center 2574 is at 0.120983 3.962035 -1.981152 ESP Fit Center 2575 is at 0.500135 3.962035 -2.157953 ESP Fit Center 2576 is at 1.090316 -0.065210 2.964440 ESP Fit Center 2577 is at 1.592814 -0.114713 2.856163 ESP Fit Center 2578 is at 1.801191 -0.475634 2.679362 ESP Fit Center 2579 is at 0.436938 -0.535030 3.082137 ESP Fit Center 2580 is at 0.864179 -0.535030 3.033998 ESP Fit Center 2581 is at 0.650558 -0.165029 3.033998 ESP Fit Center 2582 is at 0.223318 -0.165029 3.033998 ESP Fit Center 2583 is at 0.009698 -0.535030 3.033998 ESP Fit Center 2584 is at 0.223318 -0.905031 3.033998 ESP Fit Center 2585 is at 0.650558 -0.905031 3.033998 ESP Fit Center 2586 is at 1.269995 -0.535030 2.891997 ESP Fit Center 2587 is at -0.284510 -0.118502 2.891997 ESP Fit Center 2588 is at -0.396118 -0.535030 2.891997 ESP Fit Center 2589 is at -0.284510 -0.951558 2.891997 ESP Fit Center 2590 is at 0.020410 -1.256478 2.891997 ESP Fit Center 2591 is at 0.436938 -1.368087 2.891997 ESP Fit Center 2592 is at 0.853467 -1.256478 2.891997 ESP Fit Center 2593 is at 1.158387 -0.951558 2.891997 ESP Fit Center 2594 is at -0.687968 -0.125598 2.663253 ESP Fit Center 2595 is at -0.760162 -0.535030 2.663253 ESP Fit Center 2596 is at -0.687968 -0.944462 2.663253 ESP Fit Center 2597 is at -0.480094 -1.304511 2.663253 ESP Fit Center 2598 is at -0.161612 -1.571749 2.663253 ESP Fit Center 2599 is at 0.229064 -1.713944 2.663253 ESP Fit Center 2600 is at -1.003372 -0.112117 2.359237 ESP Fit Center 2601 is at -1.064178 -0.535030 2.359237 ESP Fit Center 2602 is at -1.003372 -0.957943 2.359237 ESP Fit Center 2603 is at -0.825881 -1.346595 2.359237 ESP Fit Center 2604 is at -0.546084 -1.669498 2.359237 ESP Fit Center 2605 is at -0.186648 -1.900494 2.359237 ESP Fit Center 2606 is at -0.545734 -1.958677 1.995194 ESP Fit Center 2607 is at -0.552033 1.697484 3.245627 ESP Fit Center 2608 is at -0.479665 1.287060 3.245627 ESP Fit Center 2609 is at -0.271287 0.926139 3.245627 ESP Fit Center 2610 is at 0.047967 0.658253 3.245627 ESP Fit Center 2611 is at -0.548716 2.671057 3.005673 ESP Fit Center 2612 is at -0.880355 1.487421 3.005673 ESP Fit Center 2613 is at -0.767006 1.082874 3.005673 ESP Fit Center 2614 is at -0.548716 0.723911 3.005673 ESP Fit Center 2615 is at -0.241673 0.437152 3.005673 ESP Fit Center 2616 is at 0.131351 0.243867 3.005673 ESP Fit Center 2617 is at 0.542690 0.158390 3.005673 ESP Fit Center 2618 is at 0.120677 3.458754 2.709857 ESP Fit Center 2619 is at -0.271287 3.289677 2.709857 ESP Fit Center 2620 is at -0.888083 0.687208 2.709857 ESP Fit Center 2621 is at -0.613693 0.360203 2.709857 ESP Fit Center 2622 is at 0.126995 3.709594 2.367166 ESP Fit Center 2623 is at -0.267376 3.563536 2.367166 ESP Fit Center 2624 is at -0.929083 0.343632 2.367166 ESP Fit Center 2625 is at -0.841169 1.956028 3.061449 ESP Fit Center 2626 is at -0.830457 2.677477 2.919447 ESP Fit Center 2627 is at -1.135377 2.372557 2.919447 ESP Fit Center 2628 is at -1.246986 1.956028 2.919447 ESP Fit Center 2629 is at -1.135377 1.539500 2.919447 ESP Fit Center 2630 is at -0.621803 3.134942 2.690704 ESP Fit Center 2631 is at -1.012479 2.992748 2.690704 ESP Fit Center 2632 is at -1.330961 2.725510 2.690704 ESP Fit Center 2633 is at -1.538835 2.365461 2.690704 ESP Fit Center 2634 is at -1.611029 1.956028 2.690704 ESP Fit Center 2635 is at -1.538835 1.546596 2.690704 ESP Fit Center 2636 is at -1.330961 1.186547 2.690704 ESP Fit Center 2637 is at -0.627560 3.441866 2.386688 ESP Fit Center 2638 is at -1.037515 3.321492 2.386688 ESP Fit Center 2639 is at -1.396951 3.090497 2.386688 ESP Fit Center 2640 is at -1.676748 2.767593 2.386688 ESP Fit Center 2641 is at -1.854240 2.378942 2.386688 ESP Fit Center 2642 is at -1.915045 1.956028 2.386688 ESP Fit Center 2643 is at -1.854240 1.533115 2.386688 ESP Fit Center 2644 is at -1.676748 1.144464 2.386688 ESP Fit Center 2645 is at -1.396951 0.821560 2.386688 ESP Fit Center 2646 is at -0.622441 3.673276 2.022644 ESP Fit Center 2647 is at -1.027346 3.573476 2.022644 ESP Fit Center 2648 is at -1.396602 3.379675 2.022644 ESP Fit Center 2649 is at -1.708748 3.103138 2.022644 ESP Fit Center 2650 is at -1.945644 2.759935 2.022644 ESP Fit Center 2651 is at -2.093523 2.370011 2.022644 ESP Fit Center 2652 is at -2.143789 1.956028 2.022644 ESP Fit Center 2653 is at -2.093523 1.542046 2.022644 ESP Fit Center 2654 is at -0.830457 3.780959 1.616827 ESP Fit Center 2655 is at -1.226099 3.642517 1.616827 ESP Fit Center 2656 is at -1.581016 3.419509 1.616827 ESP Fit Center 2657 is at -1.877409 3.123115 1.616827 ESP Fit Center 2658 is at -2.100418 2.768199 1.616827 ESP Fit Center 2659 is at -2.238859 2.372557 1.616827 ESP Fit Center 2660 is at -2.285791 1.956028 1.616827 ESP Fit Center 2661 is at -1.491408 3.545191 1.189587 ESP Fit Center 2662 is at -1.807840 3.276411 1.189587 ESP Fit Center 2663 is at -2.059095 2.945892 1.189587 ESP Fit Center 2664 is at -2.233423 2.569087 1.189587 ESP Fit Center 2665 is at -2.322674 2.163617 1.189587 ESP Fit Center 2666 is at -1.581016 3.419509 0.762347 ESP Fit Center 2667 is at -1.877409 3.123115 0.762347 ESP Fit Center 2668 is at -2.100418 2.768199 0.762347 ESP Fit Center 2669 is at -1.708748 3.103138 0.356530 ESP Fit Center 2670 is at 1.077887 1.872776 4.075345 ESP Fit Center 2671 is at 1.505127 1.872776 4.027206 ESP Fit Center 2672 is at 1.291507 2.242777 4.027206 ESP Fit Center 2673 is at 0.864267 2.242777 4.027206 ESP Fit Center 2674 is at 0.650647 1.872776 4.027206 ESP Fit Center 2675 is at 0.864267 1.502776 4.027206 ESP Fit Center 2676 is at 1.291507 1.502776 4.027206 ESP Fit Center 2677 is at 1.910944 1.872776 3.885205 ESP Fit Center 2678 is at 1.799335 2.289305 3.885205 ESP Fit Center 2679 is at 1.494415 2.594225 3.885205 ESP Fit Center 2680 is at 1.077887 2.705833 3.885205 ESP Fit Center 2681 is at 0.661359 2.594225 3.885205 ESP Fit Center 2682 is at 0.356439 2.289305 3.885205 ESP Fit Center 2683 is at 0.244830 1.872776 3.885205 ESP Fit Center 2684 is at 0.356439 1.456248 3.885205 ESP Fit Center 2685 is at 0.661359 1.151328 3.885205 ESP Fit Center 2686 is at 1.077887 1.039720 3.885205 ESP Fit Center 2687 is at 1.494415 1.151328 3.885205 ESP Fit Center 2688 is at 1.799335 1.456248 3.885205 ESP Fit Center 2689 is at 2.274987 1.872776 3.656461 ESP Fit Center 2690 is at 2.202793 2.282209 3.656461 ESP Fit Center 2691 is at 1.994919 2.642258 3.656461 ESP Fit Center 2692 is at 1.676437 2.909496 3.656461 ESP Fit Center 2693 is at 1.285761 3.051690 3.656461 ESP Fit Center 2694 is at 0.870013 3.051690 3.656461 ESP Fit Center 2695 is at 0.479337 2.909496 3.656461 ESP Fit Center 2696 is at 0.160855 2.642258 3.656461 ESP Fit Center 2697 is at -0.047019 2.282209 3.656461 ESP Fit Center 2698 is at -0.119213 1.872776 3.656461 ESP Fit Center 2699 is at -0.047019 1.463344 3.656461 ESP Fit Center 2700 is at 0.160855 1.103295 3.656461 ESP Fit Center 2701 is at 0.479337 0.836057 3.656461 ESP Fit Center 2702 is at 0.870013 0.693863 3.656461 ESP Fit Center 2703 is at 1.285761 0.693863 3.656461 ESP Fit Center 2704 is at 1.676437 0.836057 3.656461 ESP Fit Center 2705 is at 1.994919 1.103295 3.656461 ESP Fit Center 2706 is at 2.202793 1.463344 3.656461 ESP Fit Center 2707 is at 2.579003 1.872776 3.352445 ESP Fit Center 2708 is at 2.518198 2.295690 3.352445 ESP Fit Center 2709 is at 2.340707 2.684341 3.352445 ESP Fit Center 2710 is at 2.060909 3.007244 3.352445 ESP Fit Center 2711 is at 1.701473 3.238240 3.352445 ESP Fit Center 2712 is at 1.291518 3.358614 3.352445 ESP Fit Center 2713 is at 0.864256 3.358614 3.352445 ESP Fit Center 2714 is at 0.454301 3.238240 3.352445 ESP Fit Center 2715 is at 0.094865 3.007244 3.352445 ESP Fit Center 2716 is at -0.184932 2.684341 3.352445 ESP Fit Center 2717 is at -0.362424 2.295690 3.352445 ESP Fit Center 2718 is at -0.423229 1.872776 3.352445 ESP Fit Center 2719 is at -0.362424 1.449863 3.352445 ESP Fit Center 2720 is at -0.184932 1.061212 3.352445 ESP Fit Center 2721 is at 0.094865 0.738308 3.352445 ESP Fit Center 2722 is at 0.454301 0.507313 3.352445 ESP Fit Center 2723 is at 0.864256 0.386939 3.352445 ESP Fit Center 2724 is at 1.291518 0.386939 3.352445 ESP Fit Center 2725 is at 1.701473 0.507313 3.352445 ESP Fit Center 2726 is at 2.060909 0.738308 3.352445 ESP Fit Center 2727 is at 2.340707 1.061212 3.352445 ESP Fit Center 2728 is at 2.518198 1.449863 3.352445 ESP Fit Center 2729 is at 2.807747 1.872776 2.988402 ESP Fit Center 2730 is at 2.757481 2.286759 2.988402 ESP Fit Center 2731 is at 2.609602 2.676683 2.988402 ESP Fit Center 2732 is at 2.372706 3.019886 2.988402 ESP Fit Center 2733 is at 2.060560 3.296423 2.988402 ESP Fit Center 2734 is at 1.691304 3.490224 2.988402 ESP Fit Center 2735 is at 1.286399 3.590024 2.988402 ESP Fit Center 2736 is at 0.869375 3.590024 2.988402 ESP Fit Center 2737 is at 0.464470 3.490224 2.988402 ESP Fit Center 2738 is at 0.095214 3.296423 2.988402 ESP Fit Center 2739 is at -0.216932 3.019886 2.988402 ESP Fit Center 2740 is at 1.286399 0.155529 2.988402 ESP Fit Center 2741 is at 1.691304 0.255329 2.988402 ESP Fit Center 2742 is at 2.060560 0.449129 2.988402 ESP Fit Center 2743 is at 2.372706 0.725667 2.988402 ESP Fit Center 2744 is at 2.609602 1.068870 2.988402 ESP Fit Center 2745 is at 2.757481 1.458794 2.988402 ESP Fit Center 2746 is at 2.949749 1.872776 2.582585 ESP Fit Center 2747 is at 2.902817 2.289305 2.582585 ESP Fit Center 2748 is at 2.764376 2.684947 2.582585 ESP Fit Center 2749 is at 2.541367 3.039863 2.582585 ESP Fit Center 2750 is at 0.661359 3.697706 2.582585 ESP Fit Center 2751 is at 2.764376 1.060606 2.582585 ESP Fit Center 2752 is at 2.902817 1.456248 2.582585 ESP Fit Center 2753 is at 2.997887 1.872776 2.155345 ESP Fit Center 2754 is at 2.952999 2.285520 2.155345 ESP Fit Center 2755 is at 2.820432 2.678963 2.155345 ESP Fit Center 2756 is at 2.952999 1.460033 2.155345 ESP Fit Center 2757 is at 2.213396 0.059352 2.733509 ESP Fit Center 2758 is at 2.624994 0.059352 2.695369 ESP Fit Center 2759 is at 2.419195 0.415807 2.695369 ESP Fit Center 2760 is at 2.007596 -0.297104 2.695369 ESP Fit Center 2761 is at 2.419195 -0.297104 2.695369 ESP Fit Center 2762 is at 3.022577 0.059352 2.582247 ESP Fit Center 2763 is at 2.914167 0.463942 2.582247 ESP Fit Center 2764 is at 2.617986 0.760123 2.582247 ESP Fit Center 2765 is at 3.392604 0.059352 2.397995 ESP Fit Center 2766 is at 3.312974 0.485331 2.397995 ESP Fit Center 2767 is at 3.084841 0.853779 2.397995 ESP Fit Center 2768 is at 3.722474 0.059352 2.148889 ESP Fit Center 2769 is at 3.661345 0.484508 2.148889 ESP Fit Center 2770 is at 3.482913 0.875221 2.148889 ESP Fit Center 2771 is at 3.201632 1.199837 2.148889 ESP Fit Center 2772 is at 3.952770 0.471591 1.843410 ESP Fit Center 2773 is at 3.810816 0.861606 1.843410 ESP Fit Center 2774 is at 3.582745 1.208372 1.843410 ESP Fit Center 2775 is at 3.280851 1.493194 1.843410 ESP Fit Center 2776 is at 4.174744 0.476249 1.491963 ESP Fit Center 2777 is at 4.045206 0.874926 1.491963 ESP Fit Center 2778 is at 3.835609 1.237958 1.491963 ESP Fit Center 2779 is at 4.203884 0.883839 1.106514 ESP Fit Center 2780 is at 4.004788 1.256322 1.106514 ESP Fit Center 2781 is at 4.284069 0.888324 0.700190 ESP Fit Center 2782 is at 4.089765 1.265221 0.700190 ESP Fit Center 2783 is at 4.284069 0.888324 0.286828 ESP Fit Center 2784 is at 1.746136 4.314210 2.970805 ESP Fit Center 2785 is at 2.173376 4.314210 2.922667 ESP Fit Center 2786 is at 1.959756 4.684211 2.922667 ESP Fit Center 2787 is at 1.532516 4.684211 2.922667 ESP Fit Center 2788 is at 1.318896 4.314210 2.922667 ESP Fit Center 2789 is at 1.532516 3.944209 2.922667 ESP Fit Center 2790 is at 1.959756 3.944209 2.922667 ESP Fit Center 2791 is at 2.579193 4.314210 2.780665 ESP Fit Center 2792 is at 2.467584 4.730738 2.780665 ESP Fit Center 2793 is at 2.162664 5.035658 2.780665 ESP Fit Center 2794 is at 1.746136 5.147267 2.780665 ESP Fit Center 2795 is at 1.329607 5.035658 2.780665 ESP Fit Center 2796 is at 1.024687 4.730738 2.780665 ESP Fit Center 2797 is at 0.913079 4.314210 2.780665 ESP Fit Center 2798 is at 1.024687 3.897682 2.780665 ESP Fit Center 2799 is at 2.162664 3.592762 2.780665 ESP Fit Center 2800 is at 2.467584 3.897682 2.780665 ESP Fit Center 2801 is at 2.943236 4.314210 2.551921 ESP Fit Center 2802 is at 2.871042 4.723642 2.551921 ESP Fit Center 2803 is at 2.663168 5.083691 2.551921 ESP Fit Center 2804 is at 2.344686 5.350929 2.551921 ESP Fit Center 2805 is at 1.954010 5.493124 2.551921 ESP Fit Center 2806 is at 1.538262 5.493124 2.551921 ESP Fit Center 2807 is at 1.147586 5.350929 2.551921 ESP Fit Center 2808 is at 0.829104 5.083691 2.551921 ESP Fit Center 2809 is at 0.621229 4.723642 2.551921 ESP Fit Center 2810 is at 0.549035 4.314210 2.551921 ESP Fit Center 2811 is at 0.621229 3.904778 2.551921 ESP Fit Center 2812 is at 2.344686 3.277491 2.551921 ESP Fit Center 2813 is at 2.663168 3.544729 2.551921 ESP Fit Center 2814 is at 2.871042 3.904778 2.551921 ESP Fit Center 2815 is at 3.247252 4.314210 2.247905 ESP Fit Center 2816 is at 3.186447 4.737123 2.247905 ESP Fit Center 2817 is at 3.008955 5.125775 2.247905 ESP Fit Center 2818 is at 2.729158 5.448678 2.247905 ESP Fit Center 2819 is at 2.369722 5.679674 2.247905 ESP Fit Center 2820 is at 1.959767 5.800047 2.247905 ESP Fit Center 2821 is at 1.532505 5.800047 2.247905 ESP Fit Center 2822 is at 1.122550 5.679674 2.247905 ESP Fit Center 2823 is at 0.763114 5.448678 2.247905 ESP Fit Center 2824 is at 0.483316 5.125775 2.247905 ESP Fit Center 2825 is at 0.305825 4.737123 2.247905 ESP Fit Center 2826 is at 0.245019 4.314210 2.247905 ESP Fit Center 2827 is at 2.729158 3.179742 2.247905 ESP Fit Center 2828 is at 3.008955 3.502645 2.247905 ESP Fit Center 2829 is at 3.186447 3.891297 2.247905 ESP Fit Center 2830 is at 3.475996 4.314210 1.883862 ESP Fit Center 2831 is at 3.425729 4.728193 1.883862 ESP Fit Center 2832 is at 3.277851 5.118116 1.883862 ESP Fit Center 2833 is at 3.040955 5.461320 1.883862 ESP Fit Center 2834 is at 2.728808 5.737857 1.883862 ESP Fit Center 2835 is at 2.359553 5.931657 1.883862 ESP Fit Center 2836 is at 1.954647 6.031458 1.883862 ESP Fit Center 2837 is at 1.537624 6.031458 1.883862 ESP Fit Center 2838 is at 1.132719 5.931657 1.883862 ESP Fit Center 2839 is at 0.763463 5.737857 1.883862 ESP Fit Center 2840 is at 0.451317 5.461320 1.883862 ESP Fit Center 2841 is at 3.040955 3.167101 1.883862 ESP Fit Center 2842 is at 3.277851 3.510304 1.883862 ESP Fit Center 2843 is at 3.425729 3.900227 1.883862 ESP Fit Center 2844 is at 3.617997 4.314210 1.478045 ESP Fit Center 2845 is at 3.571066 4.730738 1.478045 ESP Fit Center 2846 is at 3.432625 5.126380 1.478045 ESP Fit Center 2847 is at 3.209616 5.481297 1.478045 ESP Fit Center 2848 is at 2.913222 5.777690 1.478045 ESP Fit Center 2849 is at 2.558306 6.000699 1.478045 ESP Fit Center 2850 is at 2.162664 6.139140 1.478045 ESP Fit Center 2851 is at 1.746136 6.186072 1.478045 ESP Fit Center 2852 is at 1.329607 6.139140 1.478045 ESP Fit Center 2853 is at 0.933966 6.000699 1.478045 ESP Fit Center 2854 is at 3.432625 3.502040 1.478045 ESP Fit Center 2855 is at 3.571066 3.897682 1.478045 ESP Fit Center 2856 is at 3.666136 4.314210 1.050805 ESP Fit Center 2857 is at 3.621247 4.726953 1.050805 ESP Fit Center 2858 is at 3.488681 5.120397 1.050805 ESP Fit Center 2859 is at 3.274635 5.476145 1.050805 ESP Fit Center 2860 is at 2.989117 5.777561 1.050805 ESP Fit Center 2861 is at 2.645480 6.010553 1.050805 ESP Fit Center 2862 is at 2.259790 6.164226 1.050805 ESP Fit Center 2863 is at 1.850083 6.231394 1.050805 ESP Fit Center 2864 is at 1.435514 6.208917 1.050805 ESP Fit Center 2865 is at 3.488681 3.508023 1.050805 ESP Fit Center 2866 is at 3.621247 3.901467 1.050805 ESP Fit Center 2867 is at 3.571066 4.730738 0.623565 ESP Fit Center 2868 is at 3.432625 5.126380 0.623565 ESP Fit Center 2869 is at 3.209616 5.481297 0.623565 ESP Fit Center 2870 is at 2.913222 5.777690 0.623565 ESP Fit Center 2871 is at 2.558306 6.000699 0.623565 ESP Fit Center 2872 is at -0.149988 4.992096 1.762099 ESP Fit Center 2873 is at -0.454908 4.687176 1.762099 ESP Fit Center 2874 is at -0.566517 4.270648 1.762099 ESP Fit Center 2875 is at -0.454908 3.854119 1.762099 ESP Fit Center 2876 is at 0.058666 5.449561 1.533355 ESP Fit Center 2877 is at -0.332010 5.307367 1.533355 ESP Fit Center 2878 is at -0.650492 5.040129 1.533355 ESP Fit Center 2879 is at -0.858366 4.680080 1.533355 ESP Fit Center 2880 is at -0.930560 4.270648 1.533355 ESP Fit Center 2881 is at -0.858366 3.861215 1.533355 ESP Fit Center 2882 is at 0.052909 5.756485 1.229339 ESP Fit Center 2883 is at -0.357046 5.636111 1.229339 ESP Fit Center 2884 is at -0.716482 5.405116 1.229339 ESP Fit Center 2885 is at -0.996279 5.082212 1.229339 ESP Fit Center 2886 is at -1.173770 4.693561 1.229339 ESP Fit Center 2887 is at -1.234576 4.270648 1.229339 ESP Fit Center 2888 is at -1.173770 3.847734 1.229339 ESP Fit Center 2889 is at 0.058029 5.987895 0.865296 ESP Fit Center 2890 is at -0.346877 5.888095 0.865296 ESP Fit Center 2891 is at -0.716132 5.694295 0.865296 ESP Fit Center 2892 is at -1.028279 5.417757 0.865296 ESP Fit Center 2893 is at -1.265175 5.074554 0.865296 ESP Fit Center 2894 is at -1.413053 4.684630 0.865296 ESP Fit Center 2895 is at -1.463320 4.270648 0.865296 ESP Fit Center 2896 is at -1.413053 3.856665 0.865296 ESP Fit Center 2897 is at 0.266540 6.142509 0.459479 ESP Fit Center 2898 is at -0.149988 6.095578 0.459479 ESP Fit Center 2899 is at -0.545630 5.957137 0.459479 ESP Fit Center 2900 is at -0.900546 5.734128 0.459479 ESP Fit Center 2901 is at -1.196940 5.437734 0.459479 ESP Fit Center 2902 is at -1.419949 5.082818 0.459479 ESP Fit Center 2903 is at -1.558390 4.687176 0.459479 ESP Fit Center 2904 is at -1.605321 4.270648 0.459479 ESP Fit Center 2905 is at -1.558390 3.854119 0.459479 ESP Fit Center 2906 is at -1.419949 3.458477 0.459479 ESP Fit Center 2907 is at 0.370487 6.187832 0.032239 ESP Fit Center 2908 is at -0.044081 6.165354 0.032239 ESP Fit Center 2909 is at -0.444125 6.054283 0.032239 ESP Fit Center 2910 is at -0.810939 5.859810 0.032239 ESP Fit Center 2911 is at -1.127371 5.591030 0.032239 ESP Fit Center 2912 is at -1.378626 5.260511 0.032239 ESP Fit Center 2913 is at -1.552954 4.883706 0.032239 ESP Fit Center 2914 is at -1.642205 4.478236 0.032239 ESP Fit Center 2915 is at -1.642205 4.063059 0.032239 ESP Fit Center 2916 is at -1.552954 3.657589 0.032239 ESP Fit Center 2917 is at -1.378626 3.280784 0.032239 ESP Fit Center 2918 is at 0.266540 6.142509 -0.395001 ESP Fit Center 2919 is at -0.149988 6.095578 -0.395001 ESP Fit Center 2920 is at -0.545630 5.957137 -0.395001 ESP Fit Center 2921 is at -0.900546 5.734128 -0.395001 ESP Fit Center 2922 is at -1.196940 5.437734 -0.395001 ESP Fit Center 2923 is at -1.419949 5.082818 -0.395001 ESP Fit Center 2924 is at -1.558390 4.687176 -0.395001 ESP Fit Center 2925 is at -1.605321 4.270648 -0.395001 ESP Fit Center 2926 is at -1.558390 3.854119 -0.395001 ESP Fit Center 2927 is at -1.419949 3.458477 -0.395001 ESP Fit Center 2928 is at 0.058029 5.987895 -0.800818 ESP Fit Center 2929 is at -0.346877 5.888095 -0.800818 ESP Fit Center 2930 is at -0.716132 5.694295 -0.800818 ESP Fit Center 2931 is at -1.028279 5.417757 -0.800818 ESP Fit Center 2932 is at -1.265175 5.074554 -0.800818 ESP Fit Center 2933 is at -1.413053 4.684630 -0.800818 ESP Fit Center 2934 is at -1.463320 4.270648 -0.800818 ESP Fit Center 2935 is at -1.413053 3.856665 -0.800818 ESP Fit Center 2936 is at -1.265175 3.466741 -0.800818 ESP Fit Center 2937 is at 0.052909 5.756485 -1.164862 ESP Fit Center 2938 is at -0.357046 5.636111 -1.164862 ESP Fit Center 2939 is at -0.716482 5.405116 -1.164862 ESP Fit Center 2940 is at -0.996279 5.082212 -1.164862 ESP Fit Center 2941 is at -1.173770 4.693561 -1.164862 ESP Fit Center 2942 is at -1.234576 4.270648 -1.164862 ESP Fit Center 2943 is at -1.173770 3.847734 -1.164862 ESP Fit Center 2944 is at -0.996279 3.459083 -1.164862 ESP Fit Center 2945 is at 0.058666 5.449561 -1.468878 ESP Fit Center 2946 is at -0.332010 5.307367 -1.468878 ESP Fit Center 2947 is at -0.650492 5.040129 -1.468878 ESP Fit Center 2948 is at -0.858366 4.680080 -1.468878 ESP Fit Center 2949 is at -0.930560 4.270648 -1.468878 ESP Fit Center 2950 is at -0.858366 3.861215 -1.468878 ESP Fit Center 2951 is at -0.650492 3.501166 -1.468878 ESP Fit Center 2952 is at -0.149988 4.992096 -1.697621 ESP Fit Center 2953 is at -0.454908 4.687176 -1.697621 ESP Fit Center 2954 is at -0.566517 4.270648 -1.697621 ESP Fit Center 2955 is at -0.454908 3.854119 -1.697621 ESP Fit Center 2956 is at 0.052920 4.640648 -1.839623 ESP Fit Center 2957 is at -0.160700 4.270648 -1.839623 ESP Fit Center 2958 is at 3.564072 4.817857 0.093463 ESP Fit Center 2959 is at 3.416193 5.207781 0.093463 ESP Fit Center 2960 is at 3.179297 5.550984 0.093463 ESP Fit Center 2961 is at 2.867151 5.827522 0.093463 ESP Fit Center 2962 is at 3.756340 4.403875 -0.312354 ESP Fit Center 2963 is at 3.709408 4.820403 -0.312354 ESP Fit Center 2964 is at 3.570967 5.216045 -0.312354 ESP Fit Center 2965 is at 3.347958 5.570961 -0.312354 ESP Fit Center 2966 is at 3.051565 5.867355 -0.312354 ESP Fit Center 2967 is at 2.696648 6.090364 -0.312354 ESP Fit Center 2968 is at 2.301006 6.228805 -0.312354 ESP Fit Center 2969 is at 1.884478 6.275736 -0.312354 ESP Fit Center 2970 is at 3.709408 3.987346 -0.312354 ESP Fit Center 2971 is at 3.804478 4.403875 -0.739594 ESP Fit Center 2972 is at 3.759590 4.816618 -0.739594 ESP Fit Center 2973 is at 3.627023 5.210062 -0.739594 ESP Fit Center 2974 is at 3.412977 5.565809 -0.739594 ESP Fit Center 2975 is at 3.127460 5.867226 -0.739594 ESP Fit Center 2976 is at 2.783822 6.100218 -0.739594 ESP Fit Center 2977 is at 2.398133 6.253891 -0.739594 ESP Fit Center 2978 is at 1.988425 6.321059 -0.739594 ESP Fit Center 2979 is at 1.573857 6.298582 -0.739594 ESP Fit Center 2980 is at 3.627023 3.597688 -0.739594 ESP Fit Center 2981 is at 3.759590 3.991131 -0.739594 ESP Fit Center 2982 is at 3.756340 4.403875 -1.166834 ESP Fit Center 2983 is at 3.709408 4.820403 -1.166834 ESP Fit Center 2984 is at 3.570967 5.216045 -1.166834 ESP Fit Center 2985 is at 3.347958 5.570961 -1.166834 ESP Fit Center 2986 is at 3.051565 5.867355 -1.166834 ESP Fit Center 2987 is at 2.696648 6.090364 -1.166834 ESP Fit Center 2988 is at 2.301006 6.228805 -1.166834 ESP Fit Center 2989 is at 1.884478 6.275736 -1.166834 ESP Fit Center 2990 is at 1.467950 6.228805 -1.166834 ESP Fit Center 2991 is at 1.072308 6.090364 -1.166834 ESP Fit Center 2992 is at 3.347958 3.236788 -1.166834 ESP Fit Center 2993 is at 3.570967 3.591704 -1.166834 ESP Fit Center 2994 is at 3.709408 3.987346 -1.166834 ESP Fit Center 2995 is at 3.614338 4.403875 -1.572651 ESP Fit Center 2996 is at 3.564072 4.817857 -1.572651 ESP Fit Center 2997 is at 3.416193 5.207781 -1.572651 ESP Fit Center 2998 is at 3.179297 5.550984 -1.572651 ESP Fit Center 2999 is at 2.867151 5.827522 -1.572651 ESP Fit Center 3000 is at 2.497895 6.021322 -1.572651 ESP Fit Center 3001 is at 2.092990 6.121122 -1.572651 ESP Fit Center 3002 is at 1.675966 6.121122 -1.572651 ESP Fit Center 3003 is at 1.271061 6.021322 -1.572651 ESP Fit Center 3004 is at 0.901805 5.827522 -1.572651 ESP Fit Center 3005 is at 0.589659 5.550984 -1.572651 ESP Fit Center 3006 is at 3.179297 3.256765 -1.572651 ESP Fit Center 3007 is at 3.416193 3.599969 -1.572651 ESP Fit Center 3008 is at 3.564072 3.989892 -1.572651 ESP Fit Center 3009 is at 3.385595 4.403875 -1.936694 ESP Fit Center 3010 is at 3.324789 4.826788 -1.936694 ESP Fit Center 3011 is at 3.147298 5.215439 -1.936694 ESP Fit Center 3012 is at 2.867500 5.538343 -1.936694 ESP Fit Center 3013 is at 2.508064 5.769338 -1.936694 ESP Fit Center 3014 is at 2.098109 5.889712 -1.936694 ESP Fit Center 3015 is at 1.670847 5.889712 -1.936694 ESP Fit Center 3016 is at 1.260892 5.769338 -1.936694 ESP Fit Center 3017 is at 0.901456 5.538343 -1.936694 ESP Fit Center 3018 is at 0.621659 5.215439 -1.936694 ESP Fit Center 3019 is at 2.867500 3.269407 -1.936694 ESP Fit Center 3020 is at 3.147298 3.592310 -1.936694 ESP Fit Center 3021 is at 3.324789 3.980961 -1.936694 ESP Fit Center 3022 is at 3.081579 4.403875 -2.240710 ESP Fit Center 3023 is at 3.009385 4.813307 -2.240710 ESP Fit Center 3024 is at 2.801510 5.173356 -2.240710 ESP Fit Center 3025 is at 2.483028 5.440594 -2.240710 ESP Fit Center 3026 is at 2.092352 5.582788 -2.240710 ESP Fit Center 3027 is at 1.676604 5.582788 -2.240710 ESP Fit Center 3028 is at 1.285928 5.440594 -2.240710 ESP Fit Center 3029 is at 0.967446 5.173356 -2.240710 ESP Fit Center 3030 is at 0.759572 4.813307 -2.240710 ESP Fit Center 3031 is at 0.687378 4.403875 -2.240710 ESP Fit Center 3032 is at 0.759572 3.994442 -2.240710 ESP Fit Center 3033 is at 2.483028 3.367155 -2.240710 ESP Fit Center 3034 is at 2.801510 3.634393 -2.240710 ESP Fit Center 3035 is at 3.009385 3.994442 -2.240710 ESP Fit Center 3036 is at 2.717535 4.403875 -2.469454 ESP Fit Center 3037 is at 2.605926 4.820403 -2.469454 ESP Fit Center 3038 is at 2.301006 5.125323 -2.469454 ESP Fit Center 3039 is at 1.884478 5.236931 -2.469454 ESP Fit Center 3040 is at 1.467950 5.125323 -2.469454 ESP Fit Center 3041 is at 1.163030 4.820403 -2.469454 ESP Fit Center 3042 is at 1.051421 4.403875 -2.469454 ESP Fit Center 3043 is at 1.163030 3.987346 -2.469454 ESP Fit Center 3044 is at 1.467950 3.682426 -2.469454 ESP Fit Center 3045 is at 1.884478 3.570818 -2.469454 ESP Fit Center 3046 is at 2.301006 3.682426 -2.469454 ESP Fit Center 3047 is at 2.605926 3.987346 -2.469454 ESP Fit Center 3048 is at 2.311718 4.403875 -2.611455 ESP Fit Center 3049 is at 2.098098 4.773876 -2.611455 ESP Fit Center 3050 is at 1.670858 4.773876 -2.611455 ESP Fit Center 3051 is at 1.457238 4.403875 -2.611455 ESP Fit Center 3052 is at 1.670858 4.033874 -2.611455 ESP Fit Center 3053 is at 2.098098 4.033874 -2.611455 ESP Fit Center 3054 is at 1.884478 4.403875 -2.659594 ESP Fit Center 3055 is at 2.932308 -0.695677 2.720813 ESP Fit Center 3056 is at 3.650857 -0.989170 2.577214 ESP Fit Center 3057 is at 3.443105 -0.629333 2.577214 ESP Fit Center 3058 is at 3.124811 -0.362252 2.577214 ESP Fit Center 3059 is at 4.083658 -1.398361 2.380284 ESP Fit Center 3060 is at 4.025919 -0.978275 2.380284 ESP Fit Center 3061 is at 3.856983 -0.589345 2.380284 ESP Fit Center 3062 is at 3.589379 -0.260416 2.380284 ESP Fit Center 3063 is at 4.025919 -1.818447 2.380284 ESP Fit Center 3064 is at 4.412612 -1.398361 2.134032 ESP Fit Center 3065 is at 4.365326 -0.978687 2.134032 ESP Fit Center 3066 is at 4.225839 -0.580057 2.134032 ESP Fit Center 3067 is at 4.001146 -0.222460 2.134032 ESP Fit Center 3068 is at 4.225839 -2.216665 2.134032 ESP Fit Center 3069 is at 4.365326 -1.818035 2.134032 ESP Fit Center 3070 is at 4.547260 -0.589416 1.843472 ESP Fit Center 3071 is at 4.357651 -0.221624 1.843472 ESP Fit Center 3072 is at 4.101863 0.103637 1.843472 ESP Fit Center 3073 is at 4.101863 -2.900358 1.843472 ESP Fit Center 3074 is at 4.641760 -0.216769 1.514519 ESP Fit Center 3075 is at 4.411646 0.123697 1.514519 ESP Fit Center 3076 is at 3.796910 -3.461454 1.514519 ESP Fit Center 3077 is at 4.646027 0.141484 1.153869 ESP Fit Center 3078 is at 4.379049 0.454075 1.153869 ESP Fit Center 3079 is at 3.336157 -3.889882 1.153869 ESP Fit Center 3080 is at 3.715950 -3.732567 1.153869 ESP Fit Center 3081 is at 4.809791 0.158284 0.768863 ESP Fit Center 3082 is at 4.552284 0.481187 0.768863 ESP Fit Center 3083 is at 3.141514 -4.092418 0.768863 ESP Fit Center 3084 is at 3.536174 -3.970681 0.768863 ESP Fit Center 3085 is at 3.908283 -3.791483 0.768863 ESP Fit Center 3086 is at 4.649724 0.503955 0.367340 ESP Fit Center 3087 is at 4.350120 0.792810 0.367340 ESP Fit Center 3088 is at 2.838396 -4.231945 0.367340 ESP Fit Center 3089 is at 3.247647 -4.156353 0.367340 ESP Fit Center 3090 is at 3.641530 -4.021979 0.367340 ESP Fit Center 3091 is at 4.703172 0.487638 -0.042527 ESP Fit Center 3092 is at 4.412612 0.778198 -0.042527 ESP Fit Center 3093 is at 2.526613 -4.278361 -0.042527 ESP Fit Center 3094 is at 2.936480 -4.249047 -0.042527 ESP Fit Center 3095 is at 3.338003 -4.161701 -0.042527 ESP Fit Center 3096 is at 3.723008 -4.018101 -0.042527 ESP Fit Center 3097 is at 4.649724 0.503955 -0.452393 ESP Fit Center 3098 is at 4.350120 0.792810 -0.452393 ESP Fit Center 3099 is at 4.011650 1.034965 -0.452393 ESP Fit Center 3100 is at 1.606182 -4.096363 -0.452393 ESP Fit Center 3101 is at 2.008823 -4.201627 -0.452393 ESP Fit Center 3102 is at 2.422500 -4.247145 -0.452393 ESP Fit Center 3103 is at 2.838396 -4.231945 -0.452393 ESP Fit Center 3104 is at 3.247647 -4.156353 -0.452393 ESP Fit Center 3105 is at 3.641530 -4.021979 -0.452393 ESP Fit Center 3106 is at 4.552284 0.481187 -0.853916 ESP Fit Center 3107 is at 4.249527 0.762105 -0.853916 ESP Fit Center 3108 is at 3.908283 0.994761 -0.853916 ESP Fit Center 3109 is at 1.144943 -3.791483 -0.853916 ESP Fit Center 3110 is at 1.517052 -3.970681 -0.853916 ESP Fit Center 3111 is at 1.911712 -4.092418 -0.853916 ESP Fit Center 3112 is at 2.320108 -4.153974 -0.853916 ESP Fit Center 3113 is at 2.733118 -4.153974 -0.853916 ESP Fit Center 3114 is at 3.141514 -4.092418 -0.853916 ESP Fit Center 3115 is at 3.536174 -3.970681 -0.853916 ESP Fit Center 3116 is at 4.646027 0.141484 -1.238922 ESP Fit Center 3117 is at 4.379049 0.454075 -1.238922 ESP Fit Center 3118 is at 4.066458 0.721053 -1.238922 ESP Fit Center 3119 is at 3.715950 0.935845 -1.238922 ESP Fit Center 3120 is at 1.717069 -3.889882 -1.238922 ESP Fit Center 3121 is at 2.116795 -3.985848 -1.238922 ESP Fit Center 3122 is at 2.526613 -4.018101 -1.238922 ESP Fit Center 3123 is at 2.936431 -3.985848 -1.238922 ESP Fit Center 3124 is at 3.336157 -3.889882 -1.238922 ESP Fit Center 3125 is at 3.715950 -3.732567 -1.238922 ESP Fit Center 3126 is at 4.411646 0.123697 -1.599572 ESP Fit Center 3127 is at 4.127302 0.420376 -1.599572 ESP Fit Center 3128 is at 3.796910 0.664732 -1.599572 ESP Fit Center 3129 is at 3.429973 0.849738 -1.599572 ESP Fit Center 3130 is at 3.037049 0.970070 -1.599572 ESP Fit Center 3131 is at 2.218873 -3.801547 -1.599572 ESP Fit Center 3132 is at 2.629440 -3.818988 -1.599572 ESP Fit Center 3133 is at 3.037049 -3.766792 -1.599572 ESP Fit Center 3134 is at 3.429973 -3.646460 -1.599572 ESP Fit Center 3135 is at 3.796910 -3.461454 -1.599572 ESP Fit Center 3136 is at 4.357651 -0.221624 -1.928525 ESP Fit Center 3137 is at 4.101863 0.103637 -1.928525 ESP Fit Center 3138 is at 3.789141 0.374611 -1.928525 ESP Fit Center 3139 is at 3.430788 0.581507 -1.928525 ESP Fit Center 3140 is at 3.039756 0.716844 -1.928525 ESP Fit Center 3141 is at 3.039756 -3.513566 -1.928525 ESP Fit Center 3142 is at 3.430788 -3.378228 -1.928525 ESP Fit Center 3143 is at 3.789141 -3.171333 -1.928525 ESP Fit Center 3144 is at 4.365326 -0.978687 -2.219085 ESP Fit Center 3145 is at 4.225839 -0.580057 -2.219085 ESP Fit Center 3146 is at 4.001146 -0.222460 -2.219085 ESP Fit Center 3147 is at 3.702514 0.076172 -2.219085 ESP Fit Center 3148 is at 3.344917 0.300865 -2.219085 ESP Fit Center 3149 is at 2.946287 0.440352 -2.219085 ESP Fit Center 3150 is at 2.526613 0.487638 -2.219085 ESP Fit Center 3151 is at 3.344917 -3.097587 -2.219085 ESP Fit Center 3152 is at 3.702514 -2.872894 -2.219085 ESP Fit Center 3153 is at 4.001146 -2.574262 -2.219085 ESP Fit Center 3154 is at 4.083658 -1.398361 -2.465337 ESP Fit Center 3155 is at 4.025919 -0.978275 -2.465337 ESP Fit Center 3156 is at 3.856983 -0.589345 -2.465337 ESP Fit Center 3157 is at 3.589379 -0.260416 -2.465337 ESP Fit Center 3158 is at 3.242955 -0.015883 -2.465337 ESP Fit Center 3159 is at 2.843403 0.126118 -2.465337 ESP Fit Center 3160 is at 3.589379 -2.536306 -2.465337 ESP Fit Center 3161 is at 3.856983 -2.207377 -2.465337 ESP Fit Center 3162 is at 4.025919 -1.818447 -2.465337 ESP Fit Center 3163 is at 3.723008 -1.398361 -2.662267 ESP Fit Center 3164 is at 3.650857 -0.989170 -2.662267 ESP Fit Center 3165 is at 3.443105 -0.629333 -2.662267 ESP Fit Center 3166 is at 3.124811 -0.362252 -2.662267 ESP Fit Center 3167 is at 3.650857 -1.807552 -2.662267 ESP Fit Center 3168 is at 4.738361 -1.708056 1.974893 ESP Fit Center 3169 is at 4.629951 -1.303466 1.974893 ESP Fit Center 3170 is at 4.333770 -2.408828 1.974893 ESP Fit Center 3171 is at 4.629951 -2.112647 1.974893 ESP Fit Center 3172 is at 5.108387 -1.708056 1.790642 ESP Fit Center 3173 is at 5.028758 -1.282077 1.790642 ESP Fit Center 3174 is at 4.800625 -0.913629 1.790642 ESP Fit Center 3175 is at 4.454798 -2.763640 1.790642 ESP Fit Center 3176 is at 4.800625 -2.502484 1.790642 ESP Fit Center 3177 is at 5.028758 -2.134035 1.790642 ESP Fit Center 3178 is at 5.438258 -1.708056 1.541535 ESP Fit Center 3179 is at 5.377129 -1.282900 1.541535 ESP Fit Center 3180 is at 5.198697 -0.892187 1.541535 ESP Fit Center 3181 is at 4.917415 -0.567571 1.541535 ESP Fit Center 3182 is at 4.143944 -3.201774 1.541535 ESP Fit Center 3183 is at 4.556073 -3.080762 1.541535 ESP Fit Center 3184 is at 4.917415 -2.848542 1.541535 ESP Fit Center 3185 is at 5.198697 -2.523926 1.541535 ESP Fit Center 3186 is at 5.377129 -2.133213 1.541535 ESP Fit Center 3187 is at 5.716738 -1.708056 1.236057 ESP Fit Center 3188 is at 5.668554 -1.295817 1.236057 ESP Fit Center 3189 is at 5.526600 -0.905802 1.236057 ESP Fit Center 3190 is at 5.298529 -0.559036 1.236057 ESP Fit Center 3191 is at 4.996635 -0.274214 1.236057 ESP Fit Center 3192 is at 4.239586 -3.468458 1.236057 ESP Fit Center 3193 is at 4.637195 -3.349421 1.236057 ESP Fit Center 3194 is at 4.996635 -3.141899 1.236057 ESP Fit Center 3195 is at 5.298529 -2.857077 1.236057 ESP Fit Center 3196 is at 5.526600 -2.510311 1.236057 ESP Fit Center 3197 is at 5.668554 -2.120296 1.236057 ESP Fit Center 3198 is at 5.934345 -1.708056 0.884609 ESP Fit Center 3199 is at 5.890527 -1.291159 0.884609 ESP Fit Center 3200 is at 5.760989 -0.892482 0.884609 ESP Fit Center 3201 is at 5.551393 -0.529449 0.884609 ESP Fit Center 3202 is at 5.270897 -0.217928 0.884609 ESP Fit Center 3203 is at 4.931762 0.028468 0.884609 ESP Fit Center 3204 is at 4.138776 -3.702238 0.884609 ESP Fit Center 3205 is at 4.548810 -3.615082 0.884609 ESP Fit Center 3206 is at 4.931762 -3.444581 0.884609 ESP Fit Center 3207 is at 5.270897 -3.198185 0.884609 ESP Fit Center 3208 is at 5.551393 -2.886663 0.884609 ESP Fit Center 3209 is at 5.760989 -2.523631 0.884609 ESP Fit Center 3210 is at 5.890527 -2.124954 0.884609 ESP Fit Center 3211 is at 6.083669 -1.708056 0.499161 ESP Fit Center 3212 is at 6.042271 -1.287736 0.499161 ESP Fit Center 3213 is at 5.919668 -0.883569 0.499161 ESP Fit Center 3214 is at 5.720572 -0.511086 0.499161 ESP Fit Center 3215 is at 5.452633 -0.184602 0.499161 ESP Fit Center 3216 is at 5.126150 0.083336 0.499161 ESP Fit Center 3217 is at 3.929179 -3.862546 0.499161 ESP Fit Center 3218 is at 4.349499 -3.821148 0.499161 ESP Fit Center 3219 is at 4.753667 -3.698545 0.499161 ESP Fit Center 3220 is at 5.126150 -3.499449 0.499161 ESP Fit Center 3221 is at 5.452633 -3.231510 0.499161 ESP Fit Center 3222 is at 5.720572 -2.905027 0.499161 ESP Fit Center 3223 is at 5.919668 -2.532544 0.499161 ESP Fit Center 3224 is at 6.042271 -2.128376 0.499161 ESP Fit Center 3225 is at 6.159624 -1.708056 0.092837 ESP Fit Center 3226 is at 6.119317 -1.285942 0.092837 ESP Fit Center 3227 is at 5.999853 -0.879084 0.092837 ESP Fit Center 3228 is at 5.805549 -0.502187 0.092837 ESP Fit Center 3229 is at 5.543428 -0.168873 0.092837 ESP Fit Center 3230 is at 5.222964 0.108810 0.092837 ESP Fit Center 3231 is at 4.855739 0.320827 0.092837 ESP Fit Center 3232 is at 4.035308 -3.935975 0.092837 ESP Fit Center 3233 is at 4.455027 -3.875628 0.092837 ESP Fit Center 3234 is at 4.855739 -3.736940 0.092837 ESP Fit Center 3235 is at 5.222964 -3.524923 0.092837 ESP Fit Center 3236 is at 5.543428 -3.247239 0.092837 ESP Fit Center 3237 is at 5.805549 -2.913926 0.092837 ESP Fit Center 3238 is at 5.999853 -2.537029 0.092837 ESP Fit Center 3239 is at 6.119317 -2.130171 0.092837 ESP Fit Center 3240 is at 6.159624 -1.708056 -0.320526 ESP Fit Center 3241 is at 6.119317 -1.285942 -0.320526 ESP Fit Center 3242 is at 5.999853 -0.879084 -0.320526 ESP Fit Center 3243 is at 5.805549 -0.502187 -0.320526 ESP Fit Center 3244 is at 5.543428 -0.168873 -0.320526 ESP Fit Center 3245 is at 5.222964 0.108810 -0.320526 ESP Fit Center 3246 is at 4.855739 0.320827 -0.320526 ESP Fit Center 3247 is at 4.035308 -3.935975 -0.320526 ESP Fit Center 3248 is at 4.455027 -3.875628 -0.320526 ESP Fit Center 3249 is at 4.855739 -3.736940 -0.320526 ESP Fit Center 3250 is at 5.222964 -3.524923 -0.320526 ESP Fit Center 3251 is at 5.543428 -3.247239 -0.320526 ESP Fit Center 3252 is at 5.805549 -2.913926 -0.320526 ESP Fit Center 3253 is at 5.999853 -2.537029 -0.320526 ESP Fit Center 3254 is at 6.119317 -2.130171 -0.320526 ESP Fit Center 3255 is at 6.083669 -1.708056 -0.726850 ESP Fit Center 3256 is at 6.042271 -1.287736 -0.726850 ESP Fit Center 3257 is at 5.919668 -0.883569 -0.726850 ESP Fit Center 3258 is at 5.720572 -0.511086 -0.726850 ESP Fit Center 3259 is at 5.452633 -0.184602 -0.726850 ESP Fit Center 3260 is at 5.126150 0.083336 -0.726850 ESP Fit Center 3261 is at 3.929179 -3.862546 -0.726850 ESP Fit Center 3262 is at 4.349499 -3.821148 -0.726850 ESP Fit Center 3263 is at 4.753667 -3.698545 -0.726850 ESP Fit Center 3264 is at 5.126150 -3.499449 -0.726850 ESP Fit Center 3265 is at 5.452633 -3.231510 -0.726850 ESP Fit Center 3266 is at 5.720572 -2.905027 -0.726850 ESP Fit Center 3267 is at 5.919668 -2.532544 -0.726850 ESP Fit Center 3268 is at 6.042271 -2.128376 -0.726850 ESP Fit Center 3269 is at 5.934345 -1.708056 -1.112298 ESP Fit Center 3270 is at 5.890527 -1.291159 -1.112298 ESP Fit Center 3271 is at 5.760989 -0.892482 -1.112298 ESP Fit Center 3272 is at 5.551393 -0.529449 -1.112298 ESP Fit Center 3273 is at 5.270897 -0.217928 -1.112298 ESP Fit Center 3274 is at 4.931762 0.028468 -1.112298 ESP Fit Center 3275 is at 4.138776 -3.702238 -1.112298 ESP Fit Center 3276 is at 4.548810 -3.615082 -1.112298 ESP Fit Center 3277 is at 4.931762 -3.444581 -1.112298 ESP Fit Center 3278 is at 5.270897 -3.198185 -1.112298 ESP Fit Center 3279 is at 5.551393 -2.886663 -1.112298 ESP Fit Center 3280 is at 5.760989 -2.523631 -1.112298 ESP Fit Center 3281 is at 5.890527 -2.124954 -1.112298 ESP Fit Center 3282 is at 5.716738 -1.708056 -1.463746 ESP Fit Center 3283 is at 5.668554 -1.295817 -1.463746 ESP Fit Center 3284 is at 5.526600 -0.905802 -1.463746 ESP Fit Center 3285 is at 5.298529 -0.559036 -1.463746 ESP Fit Center 3286 is at 4.996635 -0.274214 -1.463746 ESP Fit Center 3287 is at 4.239586 -3.468458 -1.463746 ESP Fit Center 3288 is at 4.637195 -3.349421 -1.463746 ESP Fit Center 3289 is at 4.996635 -3.141899 -1.463746 ESP Fit Center 3290 is at 5.298529 -2.857077 -1.463746 ESP Fit Center 3291 is at 5.526600 -2.510311 -1.463746 ESP Fit Center 3292 is at 5.668554 -2.120296 -1.463746 ESP Fit Center 3293 is at 5.438258 -1.708056 -1.769224 ESP Fit Center 3294 is at 5.377129 -1.282900 -1.769224 ESP Fit Center 3295 is at 5.198697 -0.892187 -1.769224 ESP Fit Center 3296 is at 4.917415 -0.567571 -1.769224 ESP Fit Center 3297 is at 4.143944 -3.201774 -1.769224 ESP Fit Center 3298 is at 4.556073 -3.080762 -1.769224 ESP Fit Center 3299 is at 4.917415 -2.848542 -1.769224 ESP Fit Center 3300 is at 5.198697 -2.523926 -1.769224 ESP Fit Center 3301 is at 5.377129 -2.133213 -1.769224 ESP Fit Center 3302 is at 5.108387 -1.708056 -2.018331 ESP Fit Center 3303 is at 5.028758 -1.282077 -2.018331 ESP Fit Center 3304 is at 4.800625 -0.913629 -2.018331 ESP Fit Center 3305 is at 4.037983 -2.882234 -2.018331 ESP Fit Center 3306 is at 4.454798 -2.763640 -2.018331 ESP Fit Center 3307 is at 4.800625 -2.502484 -2.018331 ESP Fit Center 3308 is at 5.028758 -2.134035 -2.018331 ESP Fit Center 3309 is at 4.738361 -1.708056 -2.202582 ESP Fit Center 3310 is at 4.629951 -1.303466 -2.202582 ESP Fit Center 3311 is at 4.333770 -2.408828 -2.202582 ESP Fit Center 3312 is at 4.629951 -2.112647 -2.202582 ESP Fit Center 3313 is at 4.340778 -1.708056 -2.315704 ESP Fit Center 3314 is at 0.011296 -2.811907 -0.656629 ESP Fit Center 3315 is at 0.279234 -3.138391 -0.656629 ESP Fit Center 3316 is at -0.179810 -2.636986 -1.062953 ESP Fit Center 3317 is at 0.049440 -2.993706 -1.062953 ESP Fit Center 3318 is at 0.342058 -3.300594 -1.062953 ESP Fit Center 3319 is at 0.687466 -3.546559 -1.062953 ESP Fit Center 3320 is at 1.073181 -3.722709 -1.062953 ESP Fit Center 3321 is at -0.337408 -2.243326 -1.476316 ESP Fit Center 3322 is at -0.179810 -2.636986 -1.476316 ESP Fit Center 3323 is at 0.049440 -2.993706 -1.476316 ESP Fit Center 3324 is at 0.342058 -3.300594 -1.476316 ESP Fit Center 3325 is at 0.687466 -3.546559 -1.476316 ESP Fit Center 3326 is at 1.073181 -3.722709 -1.476316 ESP Fit Center 3327 is at 1.485263 -3.822679 -1.476316 ESP Fit Center 3328 is at 1.908817 -3.842855 -1.476316 ESP Fit Center 3329 is at -0.310403 -2.035257 -1.882640 ESP Fit Center 3330 is at -0.187800 -2.439424 -1.882640 ESP Fit Center 3331 is at 0.011296 -2.811907 -1.882640 ESP Fit Center 3332 is at 0.279234 -3.138391 -1.882640 ESP Fit Center 3333 is at 0.605718 -3.406329 -1.882640 ESP Fit Center 3334 is at 0.978201 -3.605426 -1.882640 ESP Fit Center 3335 is at 1.382368 -3.728028 -1.882640 ESP Fit Center 3336 is at 1.802688 -3.769426 -1.882640 ESP Fit Center 3337 is at 2.223008 -3.728028 -1.882640 ESP Fit Center 3338 is at -0.158660 -2.031834 -2.268088 ESP Fit Center 3339 is at -0.029122 -2.430511 -2.268088 ESP Fit Center 3340 is at 0.180475 -2.793544 -2.268088 ESP Fit Center 3341 is at 0.460971 -3.105066 -2.268088 ESP Fit Center 3342 is at 0.800105 -3.351461 -2.268088 ESP Fit Center 3343 is at 1.183058 -3.521963 -2.268088 ESP Fit Center 3344 is at 1.593091 -3.609118 -2.268088 ESP Fit Center 3345 is at 2.012285 -3.609118 -2.268088 ESP Fit Center 3346 is at 2.422319 -3.521963 -2.268088 ESP Fit Center 3347 is at 2.805271 -3.351461 -2.268088 ESP Fit Center 3348 is at 2.510704 0.026428 -2.619536 ESP Fit Center 3349 is at 2.113095 0.145465 -2.619536 ESP Fit Center 3350 is at 0.027217 -1.822460 -2.619536 ESP Fit Center 3351 is at 0.122933 -2.226318 -2.619536 ESP Fit Center 3352 is at 0.309205 -2.597216 -2.619536 ESP Fit Center 3353 is at 0.575991 -2.915160 -2.619536 ESP Fit Center 3354 is at 0.908909 -3.163008 -2.619536 ESP Fit Center 3355 is at 1.290011 -3.327399 -2.619536 ESP Fit Center 3356 is at 1.698751 -3.399471 -2.619536 ESP Fit Center 3357 is at 2.113095 -3.375339 -2.619536 ESP Fit Center 3358 is at 2.510704 -3.256302 -2.619536 ESP Fit Center 3359 is at 2.870144 -3.048779 -2.619536 ESP Fit Center 3360 is at 3.172038 -2.763957 -2.619536 ESP Fit Center 3361 is at 3.400109 -2.417192 -2.619536 ESP Fit Center 3362 is at 3.311767 -1.614937 -2.925015 ESP Fit Center 3363 is at 3.250638 -1.189780 -2.925015 ESP Fit Center 3364 is at 3.072206 -0.799068 -2.925015 ESP Fit Center 3365 is at 2.790924 -0.474452 -2.925015 ESP Fit Center 3366 is at 2.429582 -0.242231 -2.925015 ESP Fit Center 3367 is at 2.017453 -0.121219 -2.925015 ESP Fit Center 3368 is at 0.293610 -1.614937 -2.925015 ESP Fit Center 3369 is at 0.354738 -2.040093 -2.925015 ESP Fit Center 3370 is at 0.533171 -2.430806 -2.925015 ESP Fit Center 3371 is at 0.814452 -2.755422 -2.925015 ESP Fit Center 3372 is at 1.175795 -2.987643 -2.925015 ESP Fit Center 3373 is at 1.587924 -3.108655 -2.925015 ESP Fit Center 3374 is at 2.017453 -3.108655 -2.925015 ESP Fit Center 3375 is at 2.429582 -2.987643 -2.925015 ESP Fit Center 3376 is at 2.790924 -2.755422 -2.925015 ESP Fit Center 3377 is at 3.072206 -2.430806 -2.925015 ESP Fit Center 3378 is at 3.250638 -2.040093 -2.925015 ESP Fit Center 3379 is at 2.981896 -1.614937 -3.174121 ESP Fit Center 3380 is at 2.902267 -1.188958 -3.174121 ESP Fit Center 3381 is at 2.674134 -0.820510 -3.174121 ESP Fit Center 3382 is at 2.328307 -0.559353 -3.174121 ESP Fit Center 3383 is at 1.911492 -0.440759 -3.174121 ESP Fit Center 3384 is at 1.479983 -0.480744 -3.174121 ESP Fit Center 3385 is at 0.643559 -1.398258 -3.174121 ESP Fit Center 3386 is at 0.643559 -1.831616 -3.174121 ESP Fit Center 3387 is at 0.800105 -2.235710 -3.174121 ESP Fit Center 3388 is at 1.092057 -2.555965 -3.174121 ESP Fit Center 3389 is at 1.479983 -2.749129 -3.174121 ESP Fit Center 3390 is at 1.911492 -2.789115 -3.174121 ESP Fit Center 3391 is at 2.328307 -2.670521 -3.174121 ESP Fit Center 3392 is at 2.674134 -2.409364 -3.174121 ESP Fit Center 3393 is at 2.902267 -2.040916 -3.174121 ESP Fit Center 3394 is at 2.611870 -1.614937 -3.358372 ESP Fit Center 3395 is at 2.503460 -1.210346 -3.358372 ESP Fit Center 3396 is at 2.207279 -0.914165 -3.358372 ESP Fit Center 3397 is at 1.802688 -0.805756 -3.358372 ESP Fit Center 3398 is at 1.398098 -0.914165 -3.358372 ESP Fit Center 3399 is at 1.101917 -1.210346 -3.358372 ESP Fit Center 3400 is at 0.993507 -1.614937 -3.358372 ESP Fit Center 3401 is at 1.101917 -2.019528 -3.358372 ESP Fit Center 3402 is at 1.398098 -2.315709 -3.358372 ESP Fit Center 3403 is at 1.802688 -2.424118 -3.358372 ESP Fit Center 3404 is at 2.207279 -2.315709 -3.358372 ESP Fit Center 3405 is at 2.503460 -2.019528 -3.358372 ESP Fit Center 3406 is at 2.214287 -1.614937 -3.471494 ESP Fit Center 3407 is at 2.008488 -1.258482 -3.471494 ESP Fit Center 3408 is at 1.596889 -1.258482 -3.471494 ESP Fit Center 3409 is at 1.391089 -1.614937 -3.471494 ESP Fit Center 3410 is at 1.596889 -1.971392 -3.471494 ESP Fit Center 3411 is at 2.008488 -1.971392 -3.471494 ESP Fit Center 3412 is at 1.802688 -1.614937 -3.509635 ESP Fit Center 3413 is at 0.586537 -2.491994 2.825688 ESP Fit Center 3414 is at 0.297717 -1.850158 2.576582 ESP Fit Center 3415 is at 0.236589 -2.275315 2.576582 ESP Fit Center 3416 is at 0.297717 -2.700471 2.576582 ESP Fit Center 3417 is at 0.476150 -3.091184 2.576582 ESP Fit Center 3418 is at 0.757431 -3.415800 2.576582 ESP Fit Center 3419 is at 1.118773 -3.648021 2.576582 ESP Fit Center 3420 is at -0.029805 -2.067792 2.271104 ESP Fit Center 3421 is at -0.029805 -2.482838 2.271104 ESP Fit Center 3422 is at 0.065911 -2.886696 2.271104 ESP Fit Center 3423 is at 0.252184 -3.257594 2.271104 ESP Fit Center 3424 is at 0.518970 -3.575538 2.271104 ESP Fit Center 3425 is at 0.851888 -3.823386 2.271104 ESP Fit Center 3426 is at 1.232990 -3.987777 2.271104 ESP Fit Center 3427 is at 1.641730 -4.059849 2.271104 ESP Fit Center 3428 is at -0.259499 -2.275315 1.919656 ESP Fit Center 3429 is at -0.215681 -2.692212 1.919656 ESP Fit Center 3430 is at -0.086143 -3.090889 1.919656 ESP Fit Center 3431 is at 0.123454 -3.453922 1.919656 ESP Fit Center 3432 is at 0.403949 -3.765443 1.919656 ESP Fit Center 3433 is at 0.743084 -4.011839 1.919656 ESP Fit Center 3434 is at 1.126037 -4.182341 1.919656 ESP Fit Center 3435 is at 1.536070 -4.269496 1.919656 ESP Fit Center 3436 is at 1.955264 -4.269496 1.919656 ESP Fit Center 3437 is at 2.365297 -4.182341 1.919656 ESP Fit Center 3438 is at -0.367424 -2.695635 1.534207 ESP Fit Center 3439 is at -0.244822 -3.099802 1.534207 ESP Fit Center 3440 is at -0.045725 -3.472285 1.534207 ESP Fit Center 3441 is at 0.222213 -3.798769 1.534207 ESP Fit Center 3442 is at 0.548697 -4.066707 1.534207 ESP Fit Center 3443 is at 0.921180 -4.265803 1.534207 ESP Fit Center 3444 is at 1.325347 -4.388406 1.534207 ESP Fit Center 3445 is at 1.745667 -4.429804 1.534207 ESP Fit Center 3446 is at 2.165987 -4.388406 1.534207 ESP Fit Center 3447 is at 2.570154 -4.265803 1.534207 ESP Fit Center 3448 is at 2.942637 -4.066707 1.534207 ESP Fit Center 3449 is at -0.236831 -3.297364 1.127883 ESP Fit Center 3450 is at -0.007581 -3.654084 1.127883 ESP Fit Center 3451 is at 0.285037 -3.960972 1.127883 ESP Fit Center 3452 is at 0.630445 -4.206936 1.127883 ESP Fit Center 3453 is at 1.016160 -4.383087 1.127883 ESP Fit Center 3454 is at 1.428242 -4.483057 1.127883 ESP Fit Center 3455 is at 1.851796 -4.503233 1.127883 ESP Fit Center 3456 is at 2.271514 -4.442886 1.127883 ESP Fit Center 3457 is at 2.672227 -4.304198 1.127883 ESP Fit Center 3458 is at 3.039452 -4.092181 1.127883 ESP Fit Center 3459 is at -0.236831 -3.297364 0.714521 ESP Fit Center 3460 is at -0.007581 -3.654084 0.714521 ESP Fit Center 3461 is at 0.285037 -3.960972 0.714521 ESP Fit Center 3462 is at 0.630445 -4.206936 0.714521 ESP Fit Center 3463 is at 1.016160 -4.383087 0.714521 ESP Fit Center 3464 is at 1.428242 -4.483057 0.714521 ESP Fit Center 3465 is at 1.851796 -4.503233 0.714521 ESP Fit Center 3466 is at 2.271514 -4.442886 0.714521 ESP Fit Center 3467 is at 2.672227 -4.304198 0.714521 ESP Fit Center 3468 is at -0.045725 -3.472285 0.308197 ESP Fit Center 3469 is at 0.222213 -3.798769 0.308197 ESP Fit Center 3470 is at 0.548697 -4.066707 0.308197 ESP Fit Center 3471 is at 0.921180 -4.265803 0.308197 ESP Fit Center 3472 is at 1.325347 -4.388406 0.308197 ESP Fit Center 3473 is at 1.745667 -4.429804 0.308197 ESP Fit Center 3474 is at 2.165987 -4.388406 0.308197 ESP Fit Center 3475 is at 2.570154 -4.265803 0.308197 ESP Fit Center 3476 is at -0.086143 -3.090889 -0.077252 ESP Fit Center 3477 is at 0.123454 -3.453922 -0.077252 ESP Fit Center 3478 is at 0.403949 -3.765443 -0.077252 ESP Fit Center 3479 is at 0.743084 -4.011839 -0.077252 ESP Fit Center 3480 is at 1.126037 -4.182341 -0.077252 ESP Fit Center 3481 is at 1.536070 -4.269496 -0.077252 ESP Fit Center 3482 is at 1.955264 -4.269496 -0.077252 ESP Fit Center 3483 is at 0.065911 -2.886696 -0.428700 ESP Fit Center 3484 is at 0.252184 -3.257594 -0.428700 ESP Fit Center 3485 is at 0.518970 -3.575538 -0.428700 ESP Fit Center 3486 is at 0.851888 -3.823386 -0.428700 ESP Fit Center 3487 is at 1.232990 -3.987777 -0.428700 ESP Fit Center 3488 is at 2.200242 -2.231825 3.732498 ESP Fit Center 3489 is at 2.627482 -2.231825 3.684360 ESP Fit Center 3490 is at 2.413862 -1.861824 3.684360 ESP Fit Center 3491 is at 1.986621 -1.861824 3.684360 ESP Fit Center 3492 is at 1.773001 -2.231825 3.684360 ESP Fit Center 3493 is at 1.986621 -2.601826 3.684360 ESP Fit Center 3494 is at 2.413862 -2.601826 3.684360 ESP Fit Center 3495 is at 3.033298 -2.231825 3.542358 ESP Fit Center 3496 is at 2.921690 -1.815297 3.542358 ESP Fit Center 3497 is at 2.616770 -1.510377 3.542358 ESP Fit Center 3498 is at 2.200242 -1.398768 3.542358 ESP Fit Center 3499 is at 1.783713 -1.510377 3.542358 ESP Fit Center 3500 is at 1.478793 -1.815297 3.542358 ESP Fit Center 3501 is at 1.367185 -2.231825 3.542358 ESP Fit Center 3502 is at 1.478793 -2.648353 3.542358 ESP Fit Center 3503 is at 1.783713 -2.953273 3.542358 ESP Fit Center 3504 is at 2.200242 -3.064882 3.542358 ESP Fit Center 3505 is at 2.616770 -2.953273 3.542358 ESP Fit Center 3506 is at 2.921690 -2.648353 3.542358 ESP Fit Center 3507 is at 3.397342 -2.231825 3.313615 ESP Fit Center 3508 is at 3.325148 -1.822393 3.313615 ESP Fit Center 3509 is at 3.117274 -1.462344 3.313615 ESP Fit Center 3510 is at 2.798792 -1.195106 3.313615 ESP Fit Center 3511 is at 2.408116 -1.052911 3.313615 ESP Fit Center 3512 is at 1.992367 -1.052911 3.313615 ESP Fit Center 3513 is at 1.601691 -1.195106 3.313615 ESP Fit Center 3514 is at 1.283209 -1.462344 3.313615 ESP Fit Center 3515 is at 1.075335 -1.822393 3.313615 ESP Fit Center 3516 is at 1.003141 -2.231825 3.313615 ESP Fit Center 3517 is at 1.075335 -2.641257 3.313615 ESP Fit Center 3518 is at 1.283209 -3.001306 3.313615 ESP Fit Center 3519 is at 1.601691 -3.268544 3.313615 ESP Fit Center 3520 is at 1.992367 -3.410739 3.313615 ESP Fit Center 3521 is at 2.408116 -3.410739 3.313615 ESP Fit Center 3522 is at 2.798792 -3.268544 3.313615 ESP Fit Center 3523 is at 3.117274 -3.001306 3.313615 ESP Fit Center 3524 is at 3.325148 -2.641257 3.313615 ESP Fit Center 3525 is at 3.701358 -2.231825 3.009598 ESP Fit Center 3526 is at 3.640552 -1.808912 3.009598 ESP Fit Center 3527 is at 3.463061 -1.420260 3.009598 ESP Fit Center 3528 is at 3.183264 -1.097357 3.009598 ESP Fit Center 3529 is at 2.823828 -0.866361 3.009598 ESP Fit Center 3530 is at 2.413873 -0.745988 3.009598 ESP Fit Center 3531 is at 1.986610 -0.745988 3.009598 ESP Fit Center 3532 is at 1.576655 -0.866361 3.009598 ESP Fit Center 3533 is at 1.217219 -1.097357 3.009598 ESP Fit Center 3534 is at 0.937422 -1.420260 3.009598 ESP Fit Center 3535 is at 0.759931 -1.808912 3.009598 ESP Fit Center 3536 is at 0.699125 -2.231825 3.009598 ESP Fit Center 3537 is at 0.759931 -2.654738 3.009598 ESP Fit Center 3538 is at 0.937422 -3.043390 3.009598 ESP Fit Center 3539 is at 1.217219 -3.366293 3.009598 ESP Fit Center 3540 is at 1.576655 -3.597289 3.009598 ESP Fit Center 3541 is at 1.986610 -3.717662 3.009598 ESP Fit Center 3542 is at 2.413873 -3.717662 3.009598 ESP Fit Center 3543 is at 2.823828 -3.597289 3.009598 ESP Fit Center 3544 is at 3.183264 -3.366293 3.009598 ESP Fit Center 3545 is at 3.463061 -3.043390 3.009598 ESP Fit Center 3546 is at 3.640552 -2.654738 3.009598 ESP Fit Center 3547 is at 3.930102 -2.231825 2.645555 ESP Fit Center 3548 is at 3.879835 -1.817842 2.645555 ESP Fit Center 3549 is at 3.731957 -1.427919 2.645555 ESP Fit Center 3550 is at 1.217569 -3.655472 2.645555 ESP Fit Center 3551 is at 1.586825 -3.849272 2.645555 ESP Fit Center 3552 is at 1.991730 -3.949073 2.645555 ESP Fit Center 3553 is at 2.408753 -3.949073 2.645555 ESP Fit Center 3554 is at 2.813658 -3.849272 2.645555 ESP Fit Center 3555 is at 3.182914 -3.655472 2.645555 ESP Fit Center 3556 is at 3.495061 -3.378935 2.645555 ESP Fit Center 3557 is at 3.731957 -3.035731 2.645555 ESP Fit Center 3558 is at 3.879835 -2.645808 2.645555 ESP Fit Center 3559 is at 2.200242 -4.103687 2.239738 ESP Fit Center 3560 is at 2.616770 -4.056755 2.239738 ESP Fit Center 3561 is at 3.012412 -3.918314 2.239738 ESP Fit Center 3562 is at 3.367328 -3.695305 2.239738 ESP Fit Center 3563 is at 3.663722 -3.398912 2.239738 ESP Fit Center 3564 is at 3.886731 -3.043995 2.239738 ESP Fit Center 3565 is at 4.025172 -2.648353 2.239738 ESP Fit Center 3566 is at 3.099586 -3.928168 1.812498 ESP Fit Center 3567 is at 3.443223 -3.695176 1.812498 ESP Fit Center 3568 is at 3.728740 -3.393759 1.812498 ESP Fit Center 3569 is at -2.529507 -3.329226 -1.173001 ESP Fit Center 3570 is at -2.174591 -3.106217 -1.173001 ESP Fit Center 3571 is at -1.878197 -2.809823 -1.173001 ESP Fit Center 3572 is at -3.237731 -3.559921 -1.600241 ESP Fit Center 3573 is at -2.828023 -3.492753 -1.600241 ESP Fit Center 3574 is at -2.442333 -3.339080 -1.600241 ESP Fit Center 3575 is at -2.098696 -3.106088 -1.600241 ESP Fit Center 3576 is at -1.813179 -2.804671 -1.600241 ESP Fit Center 3577 is at -1.599133 -2.448924 -1.600241 ESP Fit Center 3578 is at -3.758206 -3.467667 -2.027482 ESP Fit Center 3579 is at -3.341677 -3.514598 -2.027482 ESP Fit Center 3580 is at -2.925149 -3.467667 -2.027482 ESP Fit Center 3581 is at -2.529507 -3.329226 -2.027482 ESP Fit Center 3582 is at -2.174591 -3.106217 -2.027482 ESP Fit Center 3583 is at -1.878197 -2.809823 -2.027482 ESP Fit Center 3584 is at -1.655188 -2.454907 -2.027482 ESP Fit Center 3585 is at -1.516747 -2.059265 -2.027482 ESP Fit Center 3586 is at -1.611817 -1.642737 -2.433298 ESP Fit Center 3587 is at -1.662084 -1.228754 -2.433298 ESP Fit Center 3588 is at -4.324350 -3.066384 -2.433298 ESP Fit Center 3589 is at -3.955094 -3.260184 -2.433298 ESP Fit Center 3590 is at -3.550189 -3.359984 -2.433298 ESP Fit Center 3591 is at -3.133166 -3.359984 -2.433298 ESP Fit Center 3592 is at -2.728261 -3.260184 -2.433298 ESP Fit Center 3593 is at -2.359005 -3.066384 -2.433298 ESP Fit Center 3594 is at -2.046859 -2.789846 -2.433298 ESP Fit Center 3595 is at -1.809962 -2.446643 -2.433298 ESP Fit Center 3596 is at -1.662084 -2.056719 -2.433298 ESP Fit Center 3597 is at -1.840561 -1.642737 -2.797342 ESP Fit Center 3598 is at -1.901367 -1.219823 -2.797342 ESP Fit Center 3599 is at -2.078858 -0.831172 -2.797342 ESP Fit Center 3600 is at -2.358655 -0.508269 -2.797342 ESP Fit Center 3601 is at -2.718091 -0.277273 -2.797342 ESP Fit Center 3602 is at -3.128046 -0.156899 -2.797342 ESP Fit Center 3603 is at -3.555309 -0.156899 -2.797342 ESP Fit Center 3604 is at -3.965264 -0.277273 -2.797342 ESP Fit Center 3605 is at 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Fit Center 3732 is at -2.026532 -3.406330 0.929120 ESP Fit Center 3733 is at -5.933251 1.120292 0.513451 ESP Fit Center 3734 is at -6.119095 0.743438 0.513451 ESP Fit Center 3735 is at -6.254160 0.345551 0.513451 ESP Fit Center 3736 is at -6.336134 -0.066562 0.513451 ESP Fit Center 3737 is at -6.363615 -0.485849 0.513451 ESP Fit Center 3738 is at -6.336134 -0.905136 0.513451 ESP Fit Center 3739 is at -6.254160 -1.317248 0.513451 ESP Fit Center 3740 is at -6.119095 -1.715136 0.513451 ESP Fit Center 3741 is at -3.151334 -3.698130 0.513451 ESP Fit Center 3742 is at -2.732047 -3.670649 0.513451 ESP Fit Center 3743 is at -2.319934 -3.588674 0.513451 ESP Fit Center 3744 is at -1.922047 -3.453610 0.513451 ESP Fit Center 3745 is at -6.070473 0.919935 0.090546 ESP Fit Center 3746 is at -6.226275 0.535102 0.090546 ESP Fit Center 3747 is at -6.331586 0.133505 0.090546 ESP Fit Center 3748 is at -6.384677 -0.278261 0.090546 ESP Fit Center 3749 is at -6.384677 -0.693436 0.090546 ESP Fit Center 3750 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Center 3841 is at -3.855897 -2.079809 3.528155 ESP Fit Center 3842 is at -3.435358 -2.051044 3.528155 ESP Fit Center 3843 is at -3.038175 -1.909885 3.528155 ESP Fit Center 3844 is at -2.693804 -1.666801 3.528155 ESP Fit Center 3845 is at -2.427787 -1.339822 3.528155 ESP Fit Center 3846 is at -2.259852 -0.953197 3.528155 ESP Fit Center 3847 is at -1.896246 -0.535602 3.246271 ESP Fit Center 3848 is at -1.946222 -0.108034 3.246271 ESP Fit Center 3849 is at -2.093454 0.296483 3.246271 ESP Fit Center 3850 is at -2.330006 0.656142 3.246271 ESP Fit Center 3851 is at -2.643124 0.951554 3.246271 ESP Fit Center 3852 is at -3.015929 1.166793 3.246271 ESP Fit Center 3853 is at -3.428323 1.290256 3.246271 ESP Fit Center 3854 is at -3.858073 1.315286 3.246271 ESP Fit Center 3855 is at -4.282011 1.240534 3.246271 ESP Fit Center 3856 is at -4.677283 1.070030 3.246271 ESP Fit Center 3857 is at -5.022579 0.812967 3.246271 ESP Fit Center 3858 is at -5.299285 0.483201 3.246271 ESP Fit Center 3859 is at 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is at -1.732568 -3.338382 -0.699009 ESP Fit Center 4259 is at -1.324495 -3.425121 -0.699009 ESP Fit Center 4260 is at -0.907305 -3.425121 -0.699009 ESP Fit Center 4261 is at -0.499232 -3.338382 -0.699009 ESP Fit Center 4262 is at -0.118110 -3.168696 -0.699009 ESP Fit Center 4263 is at -1.630991 -3.160998 -1.072444 ESP Fit Center 4264 is at -1.220326 -3.233409 -1.072444 ESP Fit Center 4265 is at -0.804032 -3.209163 -1.072444 ESP Fit Center 4266 is at -0.404551 -3.089566 -1.072444 ESP Fit Center 4267 is at -1.220130 -2.964263 -1.399763 ESP Fit Center 4268 is at -0.805151 -2.935878 -1.399763 ESP Fit Center 4269 is at -0.907516 -2.622274 -1.668387 ESP Fit Center 4270 is at -1.115616 -1.037470 -2.737682 ESP Fit Center 4271 is at -1.328470 1.756703 -2.959054 ESP Fit Center 4272 is at -1.728504 1.611102 -2.959054 ESP Fit Center 4273 is at -2.054614 1.337463 -2.959054 ESP Fit Center 4274 is at -2.267468 0.968790 -2.959054 ESP Fit Center 4275 is at -2.341391 0.549551 -2.959054 ESP Fit Center 4276 is at -2.054614 -0.238362 -2.959054 ESP Fit Center 4277 is at -1.728504 -0.512001 -2.959054 ESP Fit Center 4278 is at -1.328470 -0.657601 -2.959054 ESP Fit Center 4279 is at -1.115616 1.383897 -3.121189 ESP Fit Center 4280 is at -1.532789 1.272115 -3.121189 ESP Fit Center 4281 is at -1.838181 0.966724 -3.121189 ESP Fit Center 4282 is at -1.949962 0.549551 -3.121189 ESP Fit Center 4283 is at -1.838181 0.132378 -3.121189 ESP Fit Center 4284 is at -1.532789 -0.173014 -3.121189 ESP Fit Center 4285 is at -1.115616 -0.284795 -3.121189 ESP Fit Center 4286 is at -0.904430 0.915336 -3.220095 ESP Fit Center 4287 is at -1.326803 0.915336 -3.220095 ESP Fit Center 4288 is at -1.537990 0.549551 -3.220095 ESP Fit Center 4289 is at -1.326803 0.183765 -3.220095 ESP Fit Center 4290 is at -0.904430 0.183765 -3.220095 ESP Fit Center 4291 is at -1.115616 0.549551 -3.253336 ESP Fit Center 4292 is at -2.207069 3.128295 0.441197 ESP Fit Center 4293 is at -1.900573 3.392418 0.067761 ESP Fit Center 4294 is 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-1.796208 2.931560 -2.286186 ESP Fit Center 4313 is at -2.203456 2.846933 -2.286186 ESP Fit Center 4314 is at -2.572771 2.655570 -2.286186 ESP Fit Center 4315 is at -1.483595 2.589571 -2.554809 ESP Fit Center 4316 is at -1.900361 2.589571 -2.554809 ESP Fit Center 4317 is at -2.291994 2.447028 -2.554809 ESP Fit Center 4318 is at -2.611256 2.179136 -2.554809 ESP Fit Center 4319 is at -1.278680 2.123623 -2.754415 ESP Fit Center 4320 is at -1.691978 2.234366 -2.754415 ESP Fit Center 4321 is at -2.105276 2.123623 -2.754415 ESP Fit Center 4322 is at -2.407831 1.821068 -2.754415 ESP Fit Center 4323 is at -2.518574 1.407770 -2.754415 ESP Fit Center 4324 is at -1.902675 1.772709 -2.877331 ESP Fit Center 4325 is at -0.657387 1.311508 -3.174850 ESP Fit Center 4326 is at -0.440954 0.940769 -3.336984 ESP Fit Center 4327 is at -0.552735 0.523596 -3.336984 ESP Fit Center 4328 is at 0.703984 0.523596 -3.435890 ESP Fit Center 4329 is at 0.070424 0.889381 -3.435890 ESP Fit Center 4330 is at -0.140762 0.523596 -3.435890 ESP Fit Center 4331 is at 0.281611 0.523596 -3.469132 ESP Fit Center 4332 is at -0.543336 -2.041026 -2.256271 ESP Fit Center 4333 is at -1.046061 -1.299707 -2.629707 ESP Fit Center 4334 is at -0.778018 -1.619147 -2.629707 ESP Fit Center 4335 is at -0.443533 -1.868162 -2.629707 ESP Fit Center 4336 is at -0.946449 -0.921301 -2.957026 ESP Fit Center 4337 is at -0.730329 -1.276696 -2.957026 ESP Fit Center 4338 is at -0.426339 -1.560603 -2.957026 ESP Fit Center 4339 is at 1.582115 0.097632 -3.225649 ESP Fit Center 4340 is at -0.745578 -0.312803 -3.225649 ESP Fit Center 4341 is at -0.673207 -0.723238 -3.225649 ESP Fit Center 4342 is at -0.464823 -1.084169 -3.225649 ESP Fit Center 4343 is at -0.145562 -1.352061 -3.225649 ESP Fit Center 4344 is at 1.281050 -0.312803 -3.425255 ESP Fit Center 4345 is at 1.170308 0.100495 -3.425255 ESP Fit Center 4346 is at 0.867752 0.403050 -3.425255 ESP Fit Center 4347 is at -0.261399 0.100495 -3.425255 ESP Fit Center 4348 is at -0.372142 -0.312803 -3.425255 ESP Fit Center 4349 is at -0.261399 -0.726101 -3.425255 ESP Fit Center 4350 is at 0.041156 -1.028656 -3.425255 ESP Fit Center 4351 is at 0.454454 -1.139399 -3.425255 ESP Fit Center 4352 is at 0.875849 -0.312803 -3.548171 ESP Fit Center 4353 is at 0.665152 0.052136 -3.548171 ESP Fit Center 4354 is at 0.243757 0.052136 -3.548171 ESP Fit Center 4355 is at 0.033059 -0.312803 -3.548171 ESP Fit Center 4356 is at 0.243757 -0.677742 -3.548171 ESP Fit Center 4357 is at 0.665152 -0.677742 -3.548171 ESP Fit Center 4358 is at 0.454454 -0.312803 -3.589675 ESP Fit Center 4359 is at -0.711159 3.717092 -1.836677 ESP Fit Center 4360 is at -1.012262 3.415989 -1.836677 ESP Fit Center 4361 is at 3.264875 1.421528 -1.836677 ESP Fit Center 4362 is at 3.166848 1.845731 -2.230326 ESP Fit Center 4363 is at 3.127554 2.269779 -2.230326 ESP Fit Center 4364 is at 3.011011 2.679386 -2.230326 ESP Fit Center 4365 is at 2.821187 3.060604 -2.230326 ESP Fit Center 4366 is at -0.169553 3.911543 -2.230326 ESP Fit Center 4367 is at -0.531630 3.687354 -2.230326 ESP Fit Center 4368 is at -0.846348 3.400451 -2.230326 ESP Fit Center 4369 is at -1.102988 3.060604 -2.230326 ESP Fit Center 4370 is at 3.011011 1.012076 -2.230326 ESP Fit Center 4371 is at 3.127554 1.421683 -2.230326 ESP Fit Center 4372 is at 2.968759 1.845731 -2.596363 ESP Fit Center 4373 is at 2.925574 2.270402 -2.596363 ESP Fit Center 4374 is at 2.797787 2.677687 -2.596363 ESP Fit Center 4375 is at 2.590631 3.050912 -2.596363 ESP Fit Center 4376 is at 2.312585 3.374797 -2.596363 ESP Fit Center 4377 is at 0.752247 3.952683 -2.596363 ESP Fit Center 4378 is at 0.330308 3.888044 -2.596363 ESP Fit Center 4379 is at -0.069983 3.739793 -2.596363 ESP Fit Center 4380 is at -0.432236 3.513998 -2.596363 ESP Fit Center 4381 is at -0.741622 3.219905 -2.596363 ESP Fit Center 4382 is at -0.985475 2.869553 -2.596363 ESP Fit Center 4383 is at -1.153810 2.477285 -2.596363 ESP Fit Center 4384 is at 2.590631 0.640549 -2.596363 ESP Fit Center 4385 is at 2.797787 1.013774 -2.596363 ESP Fit Center 4386 is at 2.925574 1.421060 -2.596363 ESP Fit Center 4387 is at 2.713123 1.845731 -2.924803 ESP Fit Center 4388 is at 2.663148 2.273298 -2.924803 ESP Fit Center 4389 is at 2.515916 2.677815 -2.924803 ESP Fit Center 4390 is at 2.279364 3.037475 -2.924803 ESP Fit Center 4391 is at 1.966246 3.332887 -2.924803 ESP Fit Center 4392 is at 1.593441 3.548126 -2.924803 ESP Fit Center 4393 is at 1.181047 3.671588 -2.924803 ESP Fit Center 4394 is at 0.751297 3.696618 -2.924803 ESP Fit Center 4395 is at 0.327359 3.621867 -2.924803 ESP Fit Center 4396 is at -0.067913 3.451363 -2.924803 ESP Fit Center 4397 is at -0.413209 3.194299 -2.924803 ESP Fit Center 4398 is at -0.689916 2.864534 -2.924803 ESP Fit Center 4399 is at -0.883114 2.479845 -2.924803 ESP Fit Center 4400 is at -0.982389 2.060970 -2.924803 ESP Fit Center 4401 is at 1.966246 0.358575 -2.924803 ESP Fit Center 4402 is at 2.279364 0.653987 -2.924803 ESP Fit Center 4403 is at 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-3.206687 ESP Fit Center 4422 is at 2.058487 1.845731 -3.434327 ESP Fit Center 4423 is at 1.986155 2.255946 -3.434327 ESP Fit Center 4424 is at 1.777883 2.616682 -3.434327 ESP Fit Center 4425 is at 1.458793 2.884431 -3.434327 ESP Fit Center 4426 is at 1.067371 3.026897 -3.434327 ESP Fit Center 4427 is at 0.650828 3.026897 -3.434327 ESP Fit Center 4428 is at 0.259405 2.884431 -3.434327 ESP Fit Center 4429 is at -0.059685 2.616682 -3.434327 ESP Fit Center 4430 is at -0.267956 2.255946 -3.434327 ESP Fit Center 4431 is at -0.340288 1.845731 -3.434327 ESP Fit Center 4432 is at -0.267956 1.435516 -3.434327 ESP Fit Center 4433 is at -0.059685 1.074779 -3.434327 ESP Fit Center 4434 is at 1.067371 0.664565 -3.434327 ESP Fit Center 4435 is at 1.458793 0.807031 -3.434327 ESP Fit Center 4436 is at 1.777883 1.074779 -3.434327 ESP Fit Center 4437 is at 1.986155 1.435516 -3.434327 ESP Fit Center 4438 is at 1.677342 1.845731 -3.601513 ESP Fit Center 4439 is at 1.567718 2.254852 -3.601513 ESP Fit Center 4440 is at 1.268220 2.554350 -3.601513 ESP Fit Center 4441 is at 0.859099 2.663974 -3.601513 ESP Fit Center 4442 is at 0.449978 2.554350 -3.601513 ESP Fit Center 4443 is at 0.150480 2.254852 -3.601513 ESP Fit Center 4444 is at 0.040856 1.845731 -3.601513 ESP Fit Center 4445 is at 0.150480 1.436610 -3.601513 ESP Fit Center 4446 is at 0.449978 1.137112 -3.601513 ESP Fit Center 4447 is at 0.859099 1.027488 -3.601513 ESP Fit Center 4448 is at 1.268220 1.137112 -3.601513 ESP Fit Center 4449 is at 1.567718 1.436610 -3.601513 ESP Fit Center 4450 is at 1.273878 1.845731 -3.703684 ESP Fit Center 4451 is at 1.066488 2.204939 -3.703684 ESP Fit Center 4452 is at 0.651710 2.204939 -3.703684 ESP Fit Center 4453 is at 0.444321 1.845731 -3.703684 ESP Fit Center 4454 is at 0.651710 1.486522 -3.703684 ESP Fit Center 4455 is at 1.066488 1.486522 -3.703684 ESP Fit Center 4456 is at 0.859099 1.845731 -3.738053 ESP Fit Center 4457 is at 3.316350 2.423352 -1.882199 ESP Fit Center 4458 is at 3.268482 2.848187 -1.882199 ESP Fit Center 4459 is at 3.282673 2.098193 2.094169 ESP Fit Center 4460 is at 3.171930 2.511491 2.094169 ESP Fit Center 4461 is at 3.656108 2.098193 1.894564 ESP Fit Center 4462 is at 3.583737 2.508628 1.894564 ESP Fit Center 4463 is at 3.375354 2.869558 1.894564 ESP Fit Center 4464 is at 3.583737 1.687758 1.894564 ESP Fit Center 4465 is at 3.983427 2.098193 1.625940 ESP Fit Center 4466 is at 3.926789 2.510267 1.625940 ESP Fit Center 4467 is at 3.761074 2.891780 1.625940 ESP Fit Center 4468 is at 3.926789 1.686119 1.625940 ESP Fit Center 4469 is at 4.252051 2.098193 1.298621 ESP Fit Center 4470 is at 4.203640 2.512373 1.298621 ESP Fit Center 4471 is at 4.061018 2.904225 1.298621 ESP Fit Center 4472 is at 3.831872 3.252623 1.298621 ESP Fit Center 4473 is at 4.203640 1.684013 1.298621 ESP Fit Center 4474 is at 4.451656 2.098193 0.925186 ESP Fit Center 4475 is at 4.408048 2.513097 0.925186 ESP Fit Center 4476 is at 4.279129 2.909868 0.925186 ESP Fit Center 4477 is at 4.070534 3.271165 0.925186 ESP Fit Center 4478 is at 4.408048 1.683289 0.925186 ESP Fit Center 4479 is at 4.574573 2.098193 0.519985 ESP Fit Center 4480 is at 4.533866 2.511491 0.519985 ESP Fit Center 4481 is at 4.413312 2.908906 0.519985 ESP Fit Center 4482 is at 4.217542 3.275166 0.519985 ESP Fit Center 4483 is at 4.533866 1.684895 0.519985 ESP Fit Center 4484 is at 4.616076 2.098193 0.098589 ESP Fit Center 4485 is at 4.577042 2.506976 0.098589 ESP Fit Center 4486 is at 4.461351 2.900984 0.098589 ESP Fit Center 4487 is at 4.273184 3.265977 0.098589 ESP Fit Center 4488 is at 4.019342 3.588764 0.098589 ESP Fit Center 4489 is at 4.461351 1.295402 0.098589 ESP Fit Center 4490 is at 4.577042 1.689410 0.098589 ESP Fit Center 4491 is at 4.574573 2.098193 -0.322806 ESP Fit Center 4492 is at 4.533866 2.511491 -0.322806 ESP Fit Center 4493 is at 4.413312 2.908906 -0.322806 ESP Fit Center 4494 is at 4.217542 3.275166 -0.322806 ESP Fit Center 4495 is at 4.413312 1.287479 -0.322806 ESP Fit Center 4496 is at 4.533866 1.684895 -0.322806 ESP Fit Center 4497 is at 4.451656 2.098193 -0.728007 ESP Fit Center 4498 is at 4.408048 2.513097 -0.728007 ESP Fit Center 4499 is at 4.279129 2.909868 -0.728007 ESP Fit Center 4500 is at 4.070534 3.271165 -0.728007 ESP Fit Center 4501 is at 4.279129 1.286517 -0.728007 ESP Fit Center 4502 is at 4.408048 1.683289 -0.728007 ESP Fit Center 4503 is at 4.252051 2.098193 -1.101442 ESP Fit Center 4504 is at 4.203640 2.512373 -1.101442 ESP Fit Center 4505 is at 4.061018 2.904225 -1.101442 ESP Fit Center 4506 is at 3.831872 3.252623 -1.101442 ESP Fit Center 4507 is at 4.061018 1.292161 -1.101442 ESP Fit Center 4508 is at 4.203640 1.684013 -1.101442 ESP Fit Center 4509 is at 3.983427 2.098193 -1.428761 ESP Fit Center 4510 is at 3.926789 2.510267 -1.428761 ESP Fit Center 4511 is at 3.761074 2.891780 -1.428761 ESP Fit Center 4512 is at 3.761074 1.304606 -1.428761 ESP Fit Center 4513 is at 3.926789 1.686119 -1.428761 ESP Fit Center 4514 is at 3.656108 2.098193 -1.697385 ESP Fit Center 4515 is at 3.583737 2.508628 -1.697385 ESP Fit Center 4516 is at 3.375354 1.326827 -1.697385 ESP Fit Center 4517 is at 3.583737 1.687758 -1.697385 ESP Fit Center 4518 is at 3.282673 2.098193 -1.896990 ESP Fit Center 4519 is at -0.053417 4.755545 2.281655 ESP Fit Center 4520 is at -0.211961 4.372786 2.281655 ESP Fit Center 4521 is at 0.130623 5.454699 2.006497 ESP Fit Center 4522 is at -0.171681 5.152395 2.006497 ESP Fit Center 4523 is at -0.588205 3.962035 2.006497 ESP Fit Center 4524 is at 0.228810 5.853734 1.684329 ESP Fit Center 4525 is at -0.109459 5.612854 1.684329 ESP Fit Center 4526 is at 0.903234 6.331205 1.323083 ESP Fit Center 4527 is at 0.498179 6.222670 1.323083 ESP Fit Center 4528 is at 0.118124 6.045448 1.323083 ESP Fit Center 4529 is at 3.888835 3.962035 0.931655 ESP Fit Center 4530 is at 1.533034 6.521117 0.931655 ESP Fit Center 4531 is at 1.108931 6.521117 0.931655 ESP Fit Center 4532 is at 0.690612 6.451312 0.931655 ESP Fit Center 4533 is at 0.289488 6.313606 0.931655 ESP Fit Center 4534 is at 3.853813 3.539381 0.931655 ESP Fit Center 4535 is at 3.987741 3.962035 0.519682 ESP Fit Center 4536 is at 3.954909 4.379208 0.519682 ESP Fit Center 4537 is at 3.857221 4.786109 0.519682 ESP Fit Center 4538 is at 3.697082 5.172718 0.519682 ESP Fit Center 4539 is at 3.478436 5.529517 0.519682 ESP Fit Center 4540 is at 3.206666 5.847718 0.519682 ESP Fit Center 4541 is at 2.888464 6.119488 0.519682 ESP Fit Center 4542 is at 2.531666 6.338134 0.519682 ESP Fit Center 4543 is at 2.145057 6.498273 0.519682 ESP Fit Center 4544 is at 1.738156 6.595961 0.519682 ESP Fit Center 4545 is at 1.320983 6.628794 0.519682 ESP Fit Center 4546 is at 0.903810 6.595961 0.519682 ESP Fit Center 4547 is at 0.496909 6.498273 0.519682 ESP Fit Center 4548 is at 4.020983 3.962035 0.097309 ESP Fit Center 4549 is at 3.989340 4.374188 0.097309 ESP Fit Center 4550 is at 3.895153 4.776681 0.097309 ESP Fit Center 4551 is at 3.740630 5.160079 0.097309 ESP Fit Center 4552 is at 2.957791 6.109326 0.097309 ESP Fit Center 4553 is at 2.610826 6.334018 0.097309 ESP Fit Center 4554 is at 2.233628 6.503113 0.097309 ESP Fit Center 4555 is at 1.835039 6.612648 0.097309 ESP Fit Center 4556 is at 1.424400 6.660054 0.097309 ESP Fit Center 4557 is at 1.011338 6.644221 0.097309 ESP Fit Center 4558 is at 0.605533 6.565520 0.097309 ESP Fit Center 4559 is at 3.987741 3.962035 -0.325064 ESP Fit Center 4560 is at 1.738156 6.595961 -0.325064 ESP Fit Center 4561 is at 1.320983 6.628794 -0.325064 ESP Fit Center 4562 is at 0.903810 6.595961 -0.325064 ESP Fit Center 4563 is at 0.496909 6.498273 -0.325064 ESP Fit Center 4564 is at 1.108931 6.521117 -0.737037 ESP Fit Center 4565 is at 0.690612 6.451312 -0.737037 ESP Fit Center 4566 is at 0.289488 6.313606 -0.737037 ESP Fit Center 4567 is at 0.903234 6.331205 -1.128465 ESP Fit Center 4568 is at 0.498179 6.222670 -1.128465 ESP Fit Center 4569 is at 0.606553 6.026244 -1.489711 ESP Fit Center 4570 is at 0.228810 5.853734 -1.489711 ESP Fit Center 4571 is at 0.492617 5.682154 -1.811879 ESP Fit Center 4572 is at 0.130623 5.454699 -1.811879 ESP Fit Center 4573 is at 0.198790 5.084228 -2.087037 ESP Fit Center 4574 is at -0.053417 4.755545 -2.087037 ESP Fit Center 4575 is at -0.211961 4.372786 -2.087037 ESP Fit Center 4576 is at -0.266037 3.962035 -2.087037 ESP Fit Center 4577 is at 0.381985 4.749948 -2.308409 ESP Fit Center 4578 is at 0.169132 4.381275 -2.308409 ESP Fit Center 4579 is at 0.670751 -0.070075 3.267660 ESP Fit Center 4580 is at 1.093125 -0.070075 3.267660 ESP Fit Center 4581 is at 1.299111 -0.426854 3.168754 ESP Fit Center 4582 is at 1.604503 -0.121462 3.168754 ESP Fit Center 4583 is at 2.033789 -0.123528 3.006619 ESP Fit Center 4584 is at 0.436938 -0.535030 3.322137 ESP Fit Center 4585 is at 0.858333 -0.535030 3.280633 ESP Fit Center 4586 is at 0.647636 -0.170091 3.280633 ESP Fit Center 4587 is at 0.226241 -0.170091 3.280633 ESP Fit Center 4588 is at 0.015543 -0.535030 3.280633 ESP Fit Center 4589 is at 0.226241 -0.899969 3.280633 ESP Fit Center 4590 is at 0.647636 -0.899969 3.280633 ESP Fit Center 4591 is at 1.263535 -0.535030 3.157717 ESP Fit Center 4592 is at -0.278915 -0.121732 3.157717 ESP Fit Center 4593 is at -0.389658 -0.535030 3.157717 ESP Fit Center 4594 is at -0.278915 -0.948328 3.157717 ESP Fit Center 4595 is at 0.023640 -1.250883 3.157717 ESP Fit Center 4596 is at 0.436938 -1.361626 3.157717 ESP Fit Center 4597 is at -0.690723 -0.124595 2.958111 ESP Fit Center 4598 is at -0.763093 -0.535030 2.958111 ESP Fit Center 4599 is at -0.690723 -0.945465 2.958111 ESP Fit Center 4600 is at -0.482339 -1.306396 2.958111 ESP Fit Center 4601 is at -0.163077 -1.574288 2.958111 ESP Fit Center 4602 is at 0.228555 -1.716831 2.958111 ESP Fit Center 4603 is at -0.963965 0.073468 2.689488 ESP Fit Center 4604 is at -1.076186 -0.327056 2.689488 ESP Fit Center 4605 is at -1.076186 -0.743004 2.689488 ESP Fit Center 4606 is at -0.963965 -1.143528 2.689488 ESP Fit Center 4607 is at -0.747845 -1.498923 2.689488 ESP Fit Center 4608 is at -0.443855 -1.782830 2.689488 ESP Fit Center 4609 is at -0.074540 -1.974193 2.689488 ESP Fit Center 4610 is at -0.795534 -1.841374 2.362169 ESP Fit Center 4611 is at -0.461049 -2.090389 2.362169 ESP Fit Center 4612 is at -0.577808 1.697484 3.572884 ESP Fit Center 4613 is at -0.503885 1.278244 3.572884 ESP Fit Center 4614 is at -0.291031 0.909571 3.572884 ESP Fit Center 4615 is at -0.474226 2.819677 3.351512 ESP Fit Center 4616 is at -0.726433 2.490994 3.351512 ESP Fit Center 4617 is at -0.884977 2.108235 3.351512 ESP Fit Center 4618 is at -0.939054 1.697484 3.351512 ESP Fit Center 4619 is at -0.884977 1.286733 3.351512 ESP Fit Center 4620 is at -0.726433 0.903974 3.351512 ESP Fit Center 4621 is at -0.474226 0.575291 3.351512 ESP Fit Center 4622 is at -0.145544 0.323084 3.351512 ESP Fit Center 4623 is at 0.237215 0.164540 3.351512 ESP Fit Center 4624 is at 0.647967 0.110464 3.351512 ESP Fit Center 4625 is at -0.180399 3.417603 3.076355 ESP Fit Center 4626 is at -0.542393 3.190148 3.076355 ESP Fit Center 4627 is at -1.213354 1.272650 3.076355 ESP Fit Center 4628 is at -1.072153 0.869118 3.076355 ESP Fit Center 4629 is at -0.844697 0.507125 3.076355 ESP Fit Center 4630 is at -0.542393 0.204820 3.076355 ESP Fit Center 4631 is at 0.337102 3.859596 2.754186 ESP Fit Center 4632 is at -0.066463 3.761693 2.754186 ESP Fit Center 4633 is at -0.444206 3.589183 2.754186 ESP Fit Center 4634 is at -1.293558 0.696559 2.754186 ESP Fit Center 4635 is at -1.069045 0.347211 2.754186 ESP Fit Center 4636 is at -0.174837 3.958119 2.392941 ESP Fit Center 4637 is at -0.554892 3.780897 2.392941 ESP Fit Center 4638 is at -1.129782 2.369327 3.185167 ESP Fit Center 4639 is at -1.240525 1.956028 3.185167 ESP Fit Center 4640 is at -1.013945 2.995286 2.985561 ESP Fit Center 4641 is at -1.333207 2.727394 2.985561 ESP Fit Center 4642 is at -1.541590 2.366463 2.985561 ESP Fit Center 4643 is at -1.613961 1.956028 2.985561 ESP Fit Center 4644 is at -1.541590 1.545593 2.985561 ESP Fit Center 4645 is at -1.333207 1.184663 2.985561 ESP Fit Center 4646 is at -0.925408 3.395191 2.716938 ESP Fit Center 4647 is at -1.294722 3.203828 2.716938 ESP Fit Center 4648 is at -1.598712 2.919921 2.716938 ESP Fit Center 4649 is at -1.814832 2.564527 2.716938 ESP Fit Center 4650 is at -1.927054 2.164003 2.716938 ESP Fit Center 4651 is at -1.927054 1.748054 2.716938 ESP Fit Center 4652 is at -1.814832 1.347530 2.716938 ESP Fit Center 4653 is at -1.598712 0.992136 2.716938 ESP Fit Center 4654 is at -0.929020 3.676553 2.389619 ESP Fit Center 4655 is at -1.311916 3.511388 2.389619 ESP Fit Center 4656 is at -1.646401 3.262373 2.389619 ESP Fit Center 4657 is at -1.914444 2.942932 2.389619 ESP Fit Center 4658 is at -2.101593 2.570288 2.389619 ESP Fit Center 4659 is at -2.197760 2.164528 2.389619 ESP Fit Center 4660 is at -2.197760 1.747529 2.389619 ESP Fit Center 4661 is at -0.622524 3.940676 2.016183 ESP Fit Center 4662 is at -1.030597 3.853938 2.016183 ESP Fit Center 4663 is at -1.411719 3.684251 2.016183 ESP Fit Center 4664 is at -1.749232 3.439033 2.016183 ESP Fit Center 4665 is at -2.028387 3.129001 2.016183 ESP Fit Center 4666 is at -2.236982 2.767704 2.016183 ESP Fit Center 4667 is at -2.365901 2.370933 2.016183 ESP Fit Center 4668 is at -1.224642 3.913264 1.610982 ESP Fit Center 4669 is at -1.590902 3.717494 1.610982 ESP Fit Center 4670 is at -1.911932 3.454031 1.610982 ESP Fit Center 4671 is at -2.175394 3.133002 1.610982 ESP Fit Center 4672 is at -2.371164 2.766742 1.610982 ESP Fit Center 4673 is at -2.491719 2.369327 1.610982 ESP Fit Center 4674 is at -1.828428 3.588447 1.189587 ESP Fit Center 4675 is at -2.111804 3.291252 1.189587 ESP Fit Center 4676 is at -2.333814 2.945798 1.189587 ESP Fit Center 4677 is at -2.486434 2.564571 1.189587 ESP Fit Center 4678 is at -1.911932 3.454031 0.768192 ESP Fit Center 4679 is at -2.175394 3.133002 0.768192 ESP Fit Center 4680 is at -1.749232 3.439033 0.362991 ESP Fit Center 4681 is at 1.077887 1.872776 4.315345 ESP Fit Center 4682 is at 1.499282 1.872776 4.273841 ESP Fit Center 4683 is at 1.288585 2.237715 4.273841 ESP Fit Center 4684 is at 0.867189 2.237715 4.273841 ESP Fit Center 4685 is at 0.656492 1.872776 4.273841 ESP Fit Center 4686 is at 0.867189 1.507838 4.273841 ESP Fit Center 4687 is at 1.288585 1.507838 4.273841 ESP Fit Center 4688 is at 1.904483 1.872776 4.150925 ESP Fit Center 4689 is at 1.793740 2.286074 4.150925 ESP Fit Center 4690 is at 1.491185 2.588630 4.150925 ESP Fit Center 4691 is at 1.077887 2.699373 4.150925 ESP Fit Center 4692 is at 0.664589 2.588630 4.150925 ESP Fit Center 4693 is at 0.362034 2.286074 4.150925 ESP Fit Center 4694 is at 0.251291 1.872776 4.150925 ESP Fit Center 4695 is at 0.362034 1.459478 4.150925 ESP Fit Center 4696 is at 0.664589 1.156923 4.150925 ESP Fit Center 4697 is at 1.077887 1.046180 4.150925 ESP Fit Center 4698 is at 1.491185 1.156923 4.150925 ESP Fit Center 4699 is at 1.793740 1.459478 4.150925 ESP Fit Center 4700 is at 2.277919 1.872776 3.951319 ESP Fit Center 4701 is at 2.205548 2.283211 3.951319 ESP Fit Center 4702 is at 1.997165 2.644142 3.951319 ESP Fit Center 4703 is at 1.677903 2.912034 3.951319 ESP Fit Center 4704 is at 1.286270 3.054577 3.951319 ESP Fit Center 4705 is at 0.869504 3.054577 3.951319 ESP Fit Center 4706 is at 0.477871 2.912034 3.951319 ESP Fit Center 4707 is at 0.158609 2.644142 3.951319 ESP Fit Center 4708 is at -0.049774 2.283211 3.951319 ESP Fit Center 4709 is at -0.122145 1.872776 3.951319 ESP Fit Center 4710 is at -0.049774 1.462341 3.951319 ESP Fit Center 4711 is at 0.158609 1.101411 3.951319 ESP Fit Center 4712 is at 0.477871 0.833518 3.951319 ESP Fit Center 4713 is at 0.869504 0.690976 3.951319 ESP Fit Center 4714 is at 1.286270 0.690976 3.951319 ESP Fit Center 4715 is at 1.677903 0.833518 3.951319 ESP Fit Center 4716 is at 1.997165 1.101411 3.951319 ESP Fit Center 4717 is at 2.205548 1.462341 3.951319 ESP Fit Center 4718 is at 2.605238 1.872776 3.682695 ESP Fit Center 4719 is at 2.548599 2.284851 3.682695 ESP Fit Center 4720 is at 2.382885 2.666363 3.682695 ESP Fit Center 4721 is at 2.120385 2.989019 3.682695 ESP Fit Center 4722 is at 1.780568 3.228888 3.682695 ESP Fit Center 4723 is at 1.388636 3.368181 3.682695 ESP Fit Center 4724 is at 0.973657 3.396566 3.682695 ESP Fit Center 4725 is at 0.566408 3.311939 3.682695 ESP Fit Center 4726 is at 0.197094 3.120576 3.682695 ESP Fit Center 4727 is at -0.106896 2.836669 3.682695 ESP Fit Center 4728 is at -0.323016 2.481275 3.682695 ESP Fit Center 4729 is at -0.435238 2.080751 3.682695 ESP Fit Center 4730 is at -0.435238 1.664802 3.682695 ESP Fit Center 4731 is at -0.323016 1.264278 3.682695 ESP Fit Center 4732 is at -0.106896 0.908884 3.682695 ESP Fit Center 4733 is at 0.197094 0.624977 3.682695 ESP Fit Center 4734 is at 0.566408 0.433614 3.682695 ESP Fit Center 4735 is at 0.973657 0.348986 3.682695 ESP Fit Center 4736 is at 1.388636 0.377372 3.682695 ESP Fit Center 4737 is at 1.780568 0.516664 3.682695 ESP Fit Center 4738 is at 2.120385 0.756534 3.682695 ESP Fit Center 4739 is at 2.382885 1.079189 3.682695 ESP Fit Center 4740 is at 2.548599 1.460702 3.682695 ESP Fit Center 4741 is at 2.873861 1.872776 3.355377 ESP Fit Center 4742 is at 2.825451 2.286957 3.355377 ESP Fit Center 4743 is at 2.682828 2.678808 3.355377 ESP Fit Center 4744 is at 2.453683 3.027206 3.355377 ESP Fit Center 4745 is at 2.150369 3.313369 3.355377 ESP Fit Center 4746 is at 1.789236 3.521869 3.355377 ESP Fit Center 4747 is at 1.389755 3.641466 3.355377 ESP Fit Center 4748 is at 0.973460 3.665712 3.355377 ESP Fit Center 4749 is at 0.562796 3.593301 3.355377 ESP Fit Center 4750 is at 0.179900 3.428136 3.355377 ESP Fit Center 4751 is at -0.154585 3.179121 3.355377 ESP Fit Center 4752 is at 0.973460 0.079841 3.355377 ESP Fit Center 4753 is at 1.389755 0.104087 3.355377 ESP Fit Center 4754 is at 1.789236 0.223684 3.355377 ESP Fit Center 4755 is at 2.150369 0.432184 3.355377 ESP Fit Center 4756 is at 2.453683 0.718346 3.355377 ESP Fit Center 4757 is at 2.682828 1.066745 3.355377 ESP Fit Center 4758 is at 2.825451 1.458596 3.355377 ESP Fit Center 4759 is at 3.073467 1.872776 2.981941 ESP Fit Center 4760 is at 3.029859 2.287681 2.981941 ESP Fit Center 4761 is at 2.900940 2.684452 2.981941 ESP Fit Center 4762 is at 2.692345 3.045749 2.981941 ESP Fit Center 4763 is at 2.413191 3.355781 2.981941 ESP Fit Center 4764 is at 0.869292 3.857424 2.981941 ESP Fit Center 4765 is at 0.461219 3.770686 2.981941 ESP Fit Center 4766 is at 2.692345 0.699804 2.981941 ESP Fit Center 4767 is at 2.900940 1.061101 2.981941 ESP Fit Center 4768 is at 3.029859 1.457872 2.981941 ESP Fit Center 4769 is at 3.196383 1.872776 2.576740 ESP Fit Center 4770 is at 3.155677 2.286074 2.576740 ESP Fit Center 4771 is at 3.035122 2.683490 2.576740 ESP Fit Center 4772 is at 2.839352 3.049750 2.576740 ESP Fit Center 4773 is at 3.155677 1.459478 2.576740 ESP Fit Center 4774 is at 3.237887 1.872776 2.155345 ESP Fit Center 4775 is at 3.198853 2.281559 2.155345 ESP Fit Center 4776 is at 3.083162 2.675567 2.155345 ESP Fit Center 4777 is at 2.213396 0.059352 3.013509 ESP Fit Center 4778 is at 2.628174 0.059352 2.979139 ESP Fit Center 4779 is at 3.031638 0.059352 2.876968 ESP Fit Center 4780 is at 2.922014 0.468473 2.876968 ESP Fit Center 4781 is at 3.340451 0.469566 2.709783 ESP Fit Center 4782 is at 3.132180 0.830303 2.709783 ESP Fit Center 4783 is at 3.703814 0.476947 2.482143 ESP Fit Center 4784 is at 3.535880 0.863572 2.482143 ESP Fit Center 4785 is at 3.269862 1.190551 2.482143 ESP Fit Center 4786 is at 4.017444 0.486919 2.200258 ESP Fit Center 4787 is at 3.870212 0.891436 2.200258 ESP Fit Center 4788 is at 3.633660 1.251095 2.200258 ESP Fit Center 4789 is at 3.320542 1.546507 2.200258 ESP Fit Center 4790 is at 4.152084 0.891308 1.871818 ESP Fit Center 4791 is at 3.944927 1.264533 1.871818 ESP Fit Center 4792 is at 3.666881 1.588418 1.871818 ESP Fit Center 4793 is at 4.365307 0.893007 1.505781 ESP Fit Center 4794 is at 4.175483 1.274225 1.505781 ESP Fit Center 4795 is at 4.508960 0.894869 1.112132 ESP Fit Center 4796 is at 4.328999 1.280796 1.112132 ESP Fit Center 4797 is at 4.405877 1.284145 0.701609 ESP Fit Center 4798 is at 1.746136 4.314210 3.210805 ESP Fit Center 4799 is at 2.167531 4.314210 3.169301 ESP Fit Center 4800 is at 1.956833 4.679149 3.169301 ESP Fit Center 4801 is at 1.535438 4.679149 3.169301 ESP Fit Center 4802 is at 1.324741 4.314210 3.169301 ESP Fit Center 4803 is at 1.535438 3.949271 3.169301 ESP Fit Center 4804 is at 1.956833 3.949271 3.169301 ESP Fit Center 4805 is at 2.572732 4.314210 3.046385 ESP Fit Center 4806 is at 2.461989 4.727508 3.046385 ESP Fit Center 4807 is at 2.159434 5.030063 3.046385 ESP Fit Center 4808 is at 1.746136 5.140806 3.046385 ESP Fit Center 4809 is at 1.332838 5.030063 3.046385 ESP Fit Center 4810 is at 1.030283 4.727508 3.046385 ESP Fit Center 4811 is at 0.919540 4.314210 3.046385 ESP Fit Center 4812 is at 1.030283 3.900912 3.046385 ESP Fit Center 4813 is at 2.159434 3.598357 3.046385 ESP Fit Center 4814 is at 2.461989 3.900912 3.046385 ESP Fit Center 4815 is at 2.946168 4.314210 2.846779 ESP Fit Center 4816 is at 2.873797 4.724645 2.846779 ESP Fit Center 4817 is at 2.665413 5.085576 2.846779 ESP Fit Center 4818 is at 2.346152 5.353468 2.846779 ESP Fit Center 4819 is at 1.954519 5.496011 2.846779 ESP Fit Center 4820 is at 1.537753 5.496011 2.846779 ESP Fit Center 4821 is at 1.146120 5.353468 2.846779 ESP Fit Center 4822 is at 0.826858 5.085576 2.846779 ESP Fit Center 4823 is at 0.618475 4.724645 2.846779 ESP Fit Center 4824 is at 0.546104 4.314210 2.846779 ESP Fit Center 4825 is at 0.618475 3.903775 2.846779 ESP Fit Center 4826 is at 2.665413 3.542845 2.846779 ESP Fit Center 4827 is at 2.873797 3.903775 2.846779 ESP Fit Center 4828 is at 3.273486 4.314210 2.578156 ESP Fit Center 4829 is at 3.216848 4.726284 2.578156 ESP Fit Center 4830 is at 3.051134 5.107797 2.578156 ESP Fit Center 4831 is at 2.788634 5.430453 2.578156 ESP Fit Center 4832 is at 2.448816 5.670322 2.578156 ESP Fit Center 4833 is at 2.056884 5.809615 2.578156 ESP Fit Center 4834 is at 1.641906 5.838000 2.578156 ESP Fit Center 4835 is at 1.234657 5.753373 2.578156 ESP Fit Center 4836 is at 0.865343 5.562010 2.578156 ESP Fit Center 4837 is at 0.561353 5.278103 2.578156 ESP Fit Center 4838 is at 0.345233 4.922708 2.578156 ESP Fit Center 4839 is at 0.233011 4.522184 2.578156 ESP Fit Center 4840 is at 0.233011 4.106236 2.578156 ESP Fit Center 4841 is at 2.788634 3.197967 2.578156 ESP Fit Center 4842 is at 3.051134 3.520623 2.578156 ESP Fit Center 4843 is at 3.216848 3.902136 2.578156 ESP Fit Center 4844 is at 3.542110 4.314210 2.250837 ESP Fit Center 4845 is at 3.493699 4.728390 2.250837 ESP Fit Center 4846 is at 3.351077 5.120242 2.250837 ESP Fit Center 4847 is at 3.121932 5.468640 2.250837 ESP Fit Center 4848 is at 2.818617 5.754803 2.250837 ESP Fit Center 4849 is at 2.457485 5.963303 2.250837 ESP Fit Center 4850 is at 2.058003 6.082900 2.250837 ESP Fit Center 4851 is at 1.641709 6.107146 2.250837 ESP Fit Center 4852 is at 1.231045 6.034735 2.250837 ESP Fit Center 4853 is at 0.848149 5.869569 2.250837 ESP Fit Center 4854 is at 0.513663 5.620554 2.250837 ESP Fit Center 4855 is at 0.245621 5.301114 2.250837 ESP Fit Center 4856 is at 3.121932 3.159780 2.250837 ESP Fit Center 4857 is at 3.351077 3.508178 2.250837 ESP Fit Center 4858 is at 3.493699 3.900030 2.250837 ESP Fit Center 4859 is at 3.741716 4.314210 1.877401 ESP Fit Center 4860 is at 3.698107 4.729114 1.877401 ESP Fit Center 4861 is at 3.569189 5.125885 1.877401 ESP Fit Center 4862 is at 3.360594 5.487182 1.877401 ESP Fit Center 4863 is at 3.081439 5.797215 1.877401 ESP Fit Center 4864 is at 2.743926 6.042433 1.877401 ESP Fit Center 4865 is at 2.362804 6.212119 1.877401 ESP Fit Center 4866 is at 1.954731 6.298858 1.877401 ESP Fit Center 4867 is at 1.537541 6.298858 1.877401 ESP Fit Center 4868 is at 1.129468 6.212119 1.877401 ESP Fit Center 4869 is at 0.748346 6.042433 1.877401 ESP Fit Center 4870 is at 0.410832 5.797215 1.877401 ESP Fit Center 4871 is at 3.360594 3.141238 1.877401 ESP Fit Center 4872 is at 3.569189 3.502535 1.877401 ESP Fit Center 4873 is at 3.698107 3.899306 1.877401 ESP Fit Center 4874 is at 3.864632 4.314210 1.472200 ESP Fit Center 4875 is at 3.823926 4.727508 1.472200 ESP Fit Center 4876 is at 3.703371 5.124923 1.472200 ESP Fit Center 4877 is at 3.507601 5.491183 1.472200 ESP Fit Center 4878 is at 3.244139 5.812213 1.472200 ESP Fit Center 4879 is at 2.923109 6.075675 1.472200 ESP Fit Center 4880 is at 2.556849 6.271445 1.472200 ESP Fit Center 4881 is at 2.159434 6.392000 1.472200 ESP Fit Center 4882 is at 1.746136 6.432706 1.472200 ESP Fit Center 4883 is at 1.332838 6.392000 1.472200 ESP Fit Center 4884 is at 0.935422 6.271445 1.472200 ESP Fit Center 4885 is at 3.703371 3.503497 1.472200 ESP Fit Center 4886 is at 3.823926 3.900912 1.472200 ESP Fit Center 4887 is at 3.906136 4.314210 1.050805 ESP Fit Center 4888 is at 3.867102 4.722993 1.050805 ESP Fit Center 4889 is at 3.751411 5.117001 1.050805 ESP Fit Center 4890 is at 3.563243 5.481994 1.050805 ESP Fit Center 4891 is at 3.309401 5.804781 1.050805 ESP Fit Center 4892 is at 2.999059 6.073694 1.050805 ESP Fit Center 4893 is at 2.643432 6.279015 1.050805 ESP Fit Center 4894 is at 2.255375 6.413323 1.050805 ESP Fit Center 4895 is at 1.848913 6.471763 1.050805 ESP Fit Center 4896 is at 3.867102 3.905427 1.050805 ESP Fit Center 4897 is at 3.703371 5.124923 0.629410 ESP Fit Center 4898 is at 3.507601 5.491183 0.629410 ESP Fit Center 4899 is at 3.244139 5.812213 0.629410 ESP Fit Center 4900 is at 2.923109 6.075675 0.629410 ESP Fit Center 4901 is at -0.449313 4.683946 2.027819 ESP Fit Center 4902 is at -0.560056 4.270648 2.027819 ESP Fit Center 4903 is at -0.333476 5.309905 1.828213 ESP Fit Center 4904 is at -0.652737 5.042013 1.828213 ESP Fit Center 4905 is at -0.861121 4.681083 1.828213 ESP Fit Center 4906 is at -0.933492 4.270648 1.828213 ESP Fit Center 4907 is at -0.244938 5.709810 1.559589 ESP Fit Center 4908 is at -0.614253 5.518447 1.559589 ESP Fit Center 4909 is at -0.918243 5.234540 1.559589 ESP Fit Center 4910 is at -1.134363 4.879146 1.559589 ESP Fit Center 4911 is at -1.246585 4.478622 1.559589 ESP Fit Center 4912 is at -1.246585 4.062673 1.559589 ESP Fit Center 4913 is at -0.248551 5.991172 1.232271 ESP Fit Center 4914 is at -0.631447 5.826007 1.232271 ESP Fit Center 4915 is at -0.965932 5.576992 1.232271 ESP Fit Center 4916 is at -1.233974 5.257552 1.232271 ESP Fit Center 4917 is at -1.421124 4.884907 1.232271 ESP Fit Center 4918 is at -1.517290 4.479147 1.232271 ESP Fit Center 4919 is at -1.517290 4.062148 1.232271 ESP Fit Center 4920 is at 0.057945 6.255295 0.858835 ESP Fit Center 4921 is at -0.350128 6.168557 0.858835 ESP Fit Center 4922 is at -0.731250 5.998870 0.858835 ESP Fit Center 4923 is at -1.068763 5.753652 0.858835 ESP Fit Center 4924 is at -1.347918 5.443620 0.858835 ESP Fit Center 4925 is at -1.556513 5.082323 0.858835 ESP Fit Center 4926 is at -1.685431 4.685552 0.858835 ESP Fit Center 4927 is at -1.729040 4.270648 0.858835 ESP Fit Center 4928 is at -1.685431 3.855743 0.858835 ESP Fit Center 4929 is at -0.146758 6.348437 0.453634 ESP Fit Center 4930 is at -0.544173 6.227883 0.453634 ESP Fit Center 4931 is at -0.910433 6.032113 0.453634 ESP Fit Center 4932 is at -1.231463 5.768651 0.453634 ESP Fit Center 4933 is at -1.494925 5.447621 0.453634 ESP Fit Center 4934 is at -1.690695 5.081361 0.453634 ESP Fit Center 4935 is at -1.811250 4.683946 0.453634 ESP Fit Center 4936 is at -1.851956 4.270648 0.453634 ESP Fit Center 4937 is at -1.811250 3.857349 0.453634 ESP Fit Center 4938 is at -0.040860 6.408662 0.032239 ESP Fit Center 4939 is at -0.439927 6.311849 0.032239 ESP Fit Center 4940 is at -0.813460 6.141262 0.032239 ESP Fit Center 4941 is at -1.147959 5.903067 0.032239 ESP Fit Center 4942 is at -1.431334 5.605871 0.032239 ESP Fit Center 4943 is at -1.653344 5.260417 0.032239 ESP Fit Center 4944 is at -1.805965 4.879190 0.032239 ESP Fit Center 4945 is at -1.883679 4.475969 0.032239 ESP Fit Center 4946 is at -1.883679 4.065326 0.032239 ESP Fit Center 4947 is at -1.805965 3.662105 0.032239 ESP Fit Center 4948 is at -0.146758 6.348437 -0.389156 ESP Fit Center 4949 is at -0.544173 6.227883 -0.389156 ESP Fit Center 4950 is at -0.910433 6.032113 -0.389156 ESP Fit Center 4951 is at -1.231463 5.768651 -0.389156 ESP Fit Center 4952 is at -1.494925 5.447621 -0.389156 ESP Fit Center 4953 is at -1.690695 5.081361 -0.389156 ESP Fit Center 4954 is at -1.811250 4.683946 -0.389156 ESP Fit Center 4955 is at -1.851956 4.270648 -0.389156 ESP Fit Center 4956 is at -1.811250 3.857349 -0.389156 ESP Fit Center 4957 is at 0.057945 6.255295 -0.794357 ESP Fit Center 4958 is at -0.350128 6.168557 -0.794357 ESP Fit Center 4959 is at -0.731250 5.998870 -0.794357 ESP Fit Center 4960 is at -1.068763 5.753652 -0.794357 ESP Fit Center 4961 is at -1.347918 5.443620 -0.794357 ESP Fit Center 4962 is at -1.556513 5.082323 -0.794357 ESP Fit Center 4963 is at -1.685431 4.685552 -0.794357 ESP Fit Center 4964 is at -1.729040 4.270648 -0.794357 ESP Fit Center 4965 is at -1.685431 3.855743 -0.794357 ESP Fit Center 4966 is at 0.162114 6.063583 -1.167793 ESP Fit Center 4967 is at -0.248551 5.991172 -1.167793 ESP Fit Center 4968 is at -0.631447 5.826007 -1.167793 ESP Fit Center 4969 is at -0.965932 5.576992 -1.167793 ESP Fit Center 4970 is at -1.233974 5.257552 -1.167793 ESP Fit Center 4971 is at -1.421124 4.884907 -1.167793 ESP Fit Center 4972 is at -1.517290 4.479147 -1.167793 ESP Fit Center 4973 is at -1.517290 4.062148 -1.167793 ESP Fit Center 4974 is at -1.421124 3.656388 -1.167793 ESP Fit Center 4975 is at -0.244938 5.709810 -1.495112 ESP Fit Center 4976 is at -0.614253 5.518447 -1.495112 ESP Fit Center 4977 is at -0.918243 5.234540 -1.495112 ESP Fit Center 4978 is at -1.134363 4.879146 -1.495112 ESP Fit Center 4979 is at -1.246585 4.478622 -1.495112 ESP Fit Center 4980 is at -1.246585 4.062673 -1.495112 ESP Fit Center 4981 is at -1.134363 3.662149 -1.495112 ESP Fit Center 4982 is at -0.333476 5.309905 -1.763736 ESP Fit Center 4983 is at -0.652737 5.042013 -1.763736 ESP Fit Center 4984 is at -0.861121 4.681083 -1.763736 ESP Fit Center 4985 is at -0.933492 4.270648 -1.763736 ESP Fit Center 4986 is at -0.861121 3.860213 -1.763736 ESP Fit Center 4987 is at -0.146758 4.986501 -1.963341 ESP Fit Center 4988 is at -0.449313 4.683946 -1.963341 ESP Fit Center 4989 is at -0.560056 4.270648 -1.963341 ESP Fit Center 4990 is at 3.498936 5.576847 0.087002 ESP Fit Center 4991 is at 3.219782 5.886879 0.087002 ESP Fit Center 4992 is at 4.002974 4.403875 -0.318199 ESP Fit Center 4993 is at 3.962268 4.817173 -0.318199 ESP Fit Center 4994 is at 3.841713 5.214588 -0.318199 ESP Fit Center 4995 is at 3.645943 5.580848 -0.318199 ESP Fit Center 4996 is at 3.382481 5.901878 -0.318199 ESP Fit Center 4997 is at 3.061452 6.165340 -0.318199 ESP Fit Center 4998 is at 2.695191 6.361110 -0.318199 ESP Fit Center 4999 is at 2.297776 6.481665 -0.318199 ESP Fit Center 5000 is at 4.044478 4.403875 -0.739594 ESP Fit Center 5001 is at 4.005444 4.812657 -0.739594 ESP Fit Center 5002 is at 3.889753 5.206666 -0.739594 ESP Fit Center 5003 is at 3.701586 5.571659 -0.739594 ESP Fit Center 5004 is at 3.447744 5.894445 -0.739594 ESP Fit Center 5005 is at 3.137401 6.163359 -0.739594 ESP Fit Center 5006 is at 2.781775 6.368680 -0.739594 ESP Fit Center 5007 is at 2.393717 6.502988 -0.739594 ESP Fit Center 5008 is at 1.987255 6.561428 -0.739594 ESP Fit Center 5009 is at 1.577078 6.541889 -0.739594 ESP Fit Center 5010 is at 3.889753 3.601084 -0.739594 ESP Fit Center 5011 is at 4.005444 3.995092 -0.739594 ESP Fit Center 5012 is at 4.002974 4.403875 -1.160989 ESP Fit Center 5013 is at 3.962268 4.817173 -1.160989 ESP Fit Center 5014 is at 3.841713 5.214588 -1.160989 ESP Fit Center 5015 is at 3.645943 5.580848 -1.160989 ESP Fit Center 5016 is at 3.382481 5.901878 -1.160989 ESP Fit Center 5017 is at 3.061452 6.165340 -1.160989 ESP Fit Center 5018 is at 2.695191 6.361110 -1.160989 ESP Fit Center 5019 is at 2.297776 6.481665 -1.160989 ESP Fit Center 5020 is at 1.884478 6.522371 -1.160989 ESP Fit Center 5021 is at 1.471180 6.481665 -1.160989 ESP Fit Center 5022 is at 1.073765 6.361110 -1.160989 ESP Fit Center 5023 is at 3.841713 3.593161 -1.160989 ESP Fit Center 5024 is at 3.962268 3.990577 -1.160989 ESP Fit Center 5025 is at 3.880058 4.403875 -1.566190 ESP Fit Center 5026 is at 3.836450 4.818779 -1.566190 ESP Fit Center 5027 is at 3.707531 5.215550 -1.566190 ESP Fit Center 5028 is at 3.498936 5.576847 -1.566190 ESP Fit Center 5029 is at 3.219782 5.886879 -1.566190 ESP Fit Center 5030 is at 2.882268 6.132097 -1.566190 ESP Fit Center 5031 is at 2.501146 6.301784 -1.566190 ESP Fit Center 5032 is at 2.093073 6.388522 -1.566190 ESP Fit Center 5033 is at 1.675883 6.388522 -1.566190 ESP Fit Center 5034 is at 1.267810 6.301784 -1.566190 ESP Fit Center 5035 is at 0.886688 6.132097 -1.566190 ESP Fit Center 5036 is at 3.498936 3.230902 -1.566190 ESP Fit Center 5037 is at 3.707531 3.592199 -1.566190 ESP Fit Center 5038 is at 3.836450 3.988970 -1.566190 ESP Fit Center 5039 is at 3.680452 4.403875 -1.939625 ESP Fit Center 5040 is at 3.632042 4.818055 -1.939625 ESP Fit Center 5041 is at 3.489419 5.209906 -1.939625 ESP Fit Center 5042 is at 3.260274 5.558305 -1.939625 ESP Fit Center 5043 is at 2.956960 5.844467 -1.939625 ESP Fit Center 5044 is at 2.595827 6.052967 -1.939625 ESP Fit Center 5045 is at 2.196346 6.172564 -1.939625 ESP Fit Center 5046 is at 1.780051 6.196811 -1.939625 ESP Fit Center 5047 is at 1.369387 6.124399 -1.939625 ESP Fit Center 5048 is at 0.986491 5.959234 -1.939625 ESP Fit Center 5049 is at 0.652006 5.710219 -1.939625 ESP Fit Center 5050 is at 3.260274 3.249445 -1.939625 ESP Fit Center 5051 is at 3.489419 3.597843 -1.939625 ESP Fit Center 5052 is at 3.632042 3.989694 -1.939625 ESP Fit Center 5053 is at 3.411829 4.403875 -2.266944 ESP Fit Center 5054 is at 3.355190 4.815949 -2.266944 ESP Fit Center 5055 is at 3.189476 5.197462 -2.266944 ESP Fit Center 5056 is at 2.926976 5.520117 -2.266944 ESP Fit Center 5057 is at 2.587159 5.759987 -2.266944 ESP Fit Center 5058 is at 2.195227 5.899279 -2.266944 ESP Fit Center 5059 is at 1.780248 5.927665 -2.266944 ESP Fit Center 5060 is at 1.373000 5.843037 -2.266944 ESP Fit Center 5061 is at 1.003685 5.651674 -2.266944 ESP Fit Center 5062 is at 0.699695 5.367767 -2.266944 ESP Fit Center 5063 is at 0.483575 5.012373 -2.266944 ESP Fit Center 5064 is at 2.926976 3.287632 -2.266944 ESP Fit Center 5065 is at 3.189476 3.610288 -2.266944 ESP Fit Center 5066 is at 3.355190 3.991800 -2.266944 ESP Fit Center 5067 is at 3.084510 4.403875 -2.535568 ESP Fit Center 5068 is at 3.012139 4.814310 -2.535568 ESP Fit Center 5069 is at 2.803756 5.175240 -2.535568 ESP Fit Center 5070 is at 2.484494 5.443133 -2.535568 ESP Fit Center 5071 is at 2.092861 5.585675 -2.535568 ESP Fit Center 5072 is at 1.676095 5.585675 -2.535568 ESP Fit Center 5073 is at 1.284462 5.443133 -2.535568 ESP Fit Center 5074 is at 0.965200 5.175240 -2.535568 ESP Fit Center 5075 is at 0.756817 4.814310 -2.535568 ESP Fit Center 5076 is at 0.684446 4.403875 -2.535568 ESP Fit Center 5077 is at 2.484494 3.364617 -2.535568 ESP Fit Center 5078 is at 2.803756 3.632509 -2.535568 ESP Fit Center 5079 is at 3.012139 3.993440 -2.535568 ESP Fit Center 5080 is at 2.711074 4.403875 -2.735174 ESP Fit Center 5081 is at 2.600331 4.817173 -2.735174 ESP Fit Center 5082 is at 2.297776 5.119728 -2.735174 ESP Fit Center 5083 is at 1.884478 5.230471 -2.735174 ESP Fit Center 5084 is at 1.471180 5.119728 -2.735174 ESP Fit Center 5085 is at 1.168625 4.817173 -2.735174 ESP Fit Center 5086 is at 1.057882 4.403875 -2.735174 ESP Fit Center 5087 is at 1.168625 3.990577 -2.735174 ESP Fit Center 5088 is at 1.884478 3.577278 -2.735174 ESP Fit Center 5089 is at 2.297776 3.688021 -2.735174 ESP Fit Center 5090 is at 2.600331 3.990577 -2.735174 ESP Fit Center 5091 is at 2.305873 4.403875 -2.858090 ESP Fit Center 5092 is at 2.095176 4.768814 -2.858090 ESP Fit Center 5093 is at 1.673781 4.768814 -2.858090 ESP Fit Center 5094 is at 1.463083 4.403875 -2.858090 ESP Fit Center 5095 is at 1.673781 4.038936 -2.858090 ESP Fit Center 5096 is at 2.095176 4.038936 -2.858090 ESP Fit Center 5097 is at 1.884478 4.403875 -2.899594 ESP Fit Center 5098 is at 3.691732 -0.974292 2.950843 ESP Fit Center 5099 is at 3.476427 -0.601372 2.950843 ESP Fit Center 5100 is at 3.146560 -0.324581 2.950843 ESP Fit Center 5101 is at 2.741918 -0.177303 2.950843 ESP Fit Center 5102 is at 4.146613 -1.398361 2.763396 ESP Fit Center 5103 is at 4.091413 -0.979074 2.763396 ESP Fit Center 5104 is at 3.929574 -0.588361 2.763396 ESP Fit Center 5105 is at 3.672126 -0.252848 2.763396 ESP Fit Center 5106 is at 3.336613 0.004600 2.763396 ESP Fit Center 5107 is at 4.499000 -1.398361 2.527938 ESP Fit Center 5108 is at 4.452887 -0.974356 2.527938 ESP Fit Center 5109 is at 4.316703 -0.570177 2.527938 ESP Fit Center 5110 is at 4.096817 -0.204723 2.527938 ESP Fit Center 5111 is at 3.803509 0.104918 2.527938 ESP Fit Center 5112 is at 4.316703 -2.226545 2.527938 ESP Fit Center 5113 is at 4.452887 -1.822366 2.527938 ESP Fit Center 5114 is at 4.817639 -1.398361 2.248499 ESP Fit Center 5115 is at 4.778630 -0.977386 2.248499 ESP Fit Center 5116 is at 4.662931 -0.570747 2.248499 ESP Fit Center 5117 is at 4.474482 -0.192291 2.248499 ESP Fit Center 5118 is at 4.219702 0.145093 2.248499 ESP Fit Center 5119 is at 4.219702 -2.941815 2.248499 ESP Fit Center 5120 is at 4.474482 -2.604431 2.248499 ESP Fit Center 5121 is at 4.662931 -2.225975 2.248499 ESP Fit Center 5122 is at 4.957803 -0.563732 1.929860 ESP Fit Center 5123 is at 4.787269 -0.174955 1.929860 ESP Fit Center 5124 is at 4.555071 0.180451 1.929860 ESP Fit Center 5125 is at 4.267541 0.492791 1.929860 ESP Fit Center 5126 is at 3.932524 -3.550268 1.929860 ESP Fit Center 5127 is at 4.267541 -3.289513 1.929860 ESP Fit Center 5128 is at 5.054662 -0.180917 1.577473 ESP Fit Center 5129 is at 4.844975 0.182271 1.577473 ESP Fit Center 5130 is at 4.583500 0.510151 1.577473 ESP Fit Center 5131 is at 3.551731 -4.010320 1.577473 ESP Fit Center 5132 is at 3.929574 -3.828361 1.577473 ESP Fit Center 5133 is at 4.276077 -3.592119 1.577473 ESP Fit Center 5134 is at 5.065134 0.187883 1.197368 ESP Fit Center 5135 is at 4.819667 0.525740 1.197368 ESP Fit Center 5136 is at 4.529568 0.826146 1.197368 ESP Fit Center 5137 is at 3.451615 -4.245225 1.197368 ESP Fit Center 5138 is at 3.838820 -4.088784 1.197368 ESP Fit Center 5139 is at 4.200484 -3.879977 1.197368 ESP Fit Center 5140 is at 4.982721 0.541208 0.796047 ESP Fit Center 5141 is at 4.702287 0.851269 0.796047 ESP Fit Center 5142 is at 3.252117 -4.442706 0.796047 ESP Fit Center 5143 is at 3.651415 -4.318843 0.796047 ESP Fit Center 5144 is at 4.030641 -4.142863 0.796047 ESP Fit Center 5145 is at 5.075087 0.557152 0.380378 ESP Fit Center 5146 is at 4.798039 0.873065 0.380378 ESP Fit Center 5147 is at 2.526613 -4.610642 0.380378 ESP Fit Center 5148 is at 2.945900 -4.583161 0.380378 ESP Fit Center 5149 is at 3.358013 -4.501186 0.380378 ESP Fit Center 5150 is at 3.755900 -4.366122 0.380378 ESP Fit Center 5151 is at 4.132754 -4.180278 0.380378 ESP Fit Center 5152 is at 5.123193 0.539517 -0.042527 ESP Fit Center 5153 is at 4.854065 0.855650 -0.042527 ESP Fit Center 5154 is at 4.546720 1.134773 -0.042527 ESP Fit Center 5155 is at 2.215498 -4.623389 -0.042527 ESP Fit Center 5156 is at 2.630460 -4.636696 -0.042527 ESP Fit Center 5157 is at 3.043717 -4.596830 -0.042527 ESP Fit Center 5158 is at 3.448482 -4.504445 -0.042527 ESP Fit Center 5159 is at 3.838111 -4.361058 -0.042527 ESP Fit Center 5160 is at 5.075087 0.557152 -0.465431 ESP Fit Center 5161 is at 4.798039 0.873065 -0.465431 ESP Fit Center 5162 is at 4.482126 1.150113 -0.465431 ESP Fit Center 5163 is at 1.297326 -4.366122 -0.465431 ESP Fit Center 5164 is at 1.695213 -4.501186 -0.465431 ESP Fit Center 5165 is at 2.107326 -4.583161 -0.465431 ESP Fit Center 5166 is at 2.526613 -4.610642 -0.465431 ESP Fit Center 5167 is at 2.945900 -4.583161 -0.465431 ESP Fit Center 5168 is at 3.358013 -4.501186 -0.465431 ESP Fit Center 5169 is at 3.755900 -4.366122 -0.465431 ESP Fit Center 5170 is at 4.982721 0.541208 -0.881100 ESP Fit Center 5171 is at 4.702287 0.851269 -0.881100 ESP Fit Center 5172 is at 4.383028 1.121186 -0.881100 ESP Fit Center 5173 is at 0.506056 -3.788287 -0.881100 ESP Fit Center 5174 is at 0.842631 -4.036276 -0.881100 ESP Fit Center 5175 is at 1.209256 -4.237192 -0.881100 ESP Fit Center 5176 is at 1.599389 -4.387449 -0.881100 ESP Fit Center 5177 is at 2.006069 -4.484366 -0.881100 ESP Fit Center 5178 is at 2.422037 -4.526213 -0.881100 ESP Fit Center 5179 is at 2.839872 -4.512243 -0.881100 ESP Fit Center 5180 is at 3.252117 -4.442706 -0.881100 ESP Fit Center 5181 is at 3.651415 -4.318843 -0.881100 ESP Fit Center 5182 is at 4.030641 -4.142863 -0.881100 ESP Fit Center 5183 is at 4.819667 0.525740 -1.282421 ESP Fit Center 5184 is at 4.529568 0.826146 -1.282421 ESP Fit Center 5185 is at 4.200484 1.083255 -1.282421 ESP Fit Center 5186 is at 1.405277 -4.173765 -1.282421 ESP Fit Center 5187 is at 1.802451 -4.302815 -1.282421 ESP Fit Center 5188 is at 2.213721 -4.375333 -1.282421 ESP Fit Center 5189 is at 2.631080 -4.389907 -1.282421 ESP Fit Center 5190 is at 3.046406 -4.346255 -1.282421 ESP Fit Center 5191 is at 3.451615 -4.245225 -1.282421 ESP Fit Center 5192 is at 3.838820 -4.088784 -1.282421 ESP Fit Center 5193 is at 4.844975 0.182271 -1.662527 ESP Fit Center 5194 is at 4.583500 0.510151 -1.662527 ESP Fit Center 5195 is at 4.276077 0.795397 -1.662527 ESP Fit Center 5196 is at 3.929574 1.031639 -1.662527 ESP Fit Center 5197 is at 3.551731 1.213598 -1.662527 ESP Fit Center 5198 is at 1.902236 -4.133933 -1.662527 ESP Fit Center 5199 is at 2.316926 -4.196437 -1.662527 ESP Fit Center 5200 is at 2.736300 -4.196437 -1.662527 ESP Fit Center 5201 is at 3.150989 -4.133933 -1.662527 ESP Fit Center 5202 is at 3.551731 -4.010320 -1.662527 ESP Fit Center 5203 is at 3.929574 -3.828361 -1.662527 ESP Fit Center 5204 is at 4.787269 -0.174955 -2.014914 ESP Fit Center 5205 is at 4.555071 0.180451 -2.014914 ESP Fit Center 5206 is at 4.267541 0.492791 -2.014914 ESP Fit Center 5207 is at 3.932524 0.753546 -2.014914 ESP Fit Center 5208 is at 3.559157 0.955602 -2.014914 ESP Fit Center 5209 is at 3.157625 1.093448 -2.014914 ESP Fit Center 5210 is at 2.738880 -3.960046 -2.014914 ESP Fit Center 5211 is at 3.157625 -3.890170 -2.014914 ESP Fit Center 5212 is at 3.559157 -3.752324 -2.014914 ESP Fit Center 5213 is at 3.932524 -3.550268 -2.014914 ESP Fit Center 5214 is at 4.662931 -0.570747 -2.333553 ESP Fit Center 5215 is at 4.474482 -0.192291 -2.333553 ESP Fit Center 5216 is at 4.219702 0.145093 -2.333553 ESP Fit Center 5217 is at 3.907265 0.429917 -2.333553 ESP Fit Center 5218 is at 3.547811 0.652481 -2.333553 ESP Fit Center 5219 is at 3.153582 0.805207 -2.333553 ESP Fit Center 5220 is at 3.153582 -3.601929 -2.333553 ESP Fit Center 5221 is at 3.547811 -3.449203 -2.333553 ESP Fit Center 5222 is at 3.907265 -3.226639 -2.333553 ESP Fit Center 5223 is at 4.219702 -2.941815 -2.333553 ESP Fit Center 5224 is at 4.499000 -1.398361 -2.612991 ESP Fit Center 5225 is at 4.452887 -0.974356 -2.612991 ESP Fit Center 5226 is at 4.316703 -0.570177 -2.612991 ESP Fit Center 5227 is at 4.096817 -0.204723 -2.612991 ESP Fit Center 5228 is at 3.803509 0.104918 -2.612991 ESP Fit Center 5229 is at 3.450496 0.344267 -2.612991 ESP Fit Center 5230 is at 3.054282 0.502133 -2.612991 ESP Fit Center 5231 is at 2.633396 0.571133 -2.612991 ESP Fit Center 5232 is at 3.450496 -3.140989 -2.612991 ESP Fit Center 5233 is at 3.803509 -2.901640 -2.612991 ESP Fit Center 5234 is at 4.096817 -2.591999 -2.612991 ESP Fit Center 5235 is at 4.316703 -2.226545 -2.612991 ESP Fit Center 5236 is at 4.452887 -1.822366 -2.612991 ESP Fit Center 5237 is at 4.146613 -1.398361 -2.848449 ESP Fit Center 5238 is at 4.091413 -0.979074 -2.848449 ESP Fit Center 5239 is at 3.929574 -0.588361 -2.848449 ESP Fit Center 5240 is at 3.672126 -0.252848 -2.848449 ESP Fit Center 5241 is at 3.336613 0.004600 -2.848449 ESP Fit Center 5242 is at 2.945900 0.166439 -2.848449 ESP Fit Center 5243 is at 2.526613 0.221639 -2.848449 ESP Fit Center 5244 is at 3.672126 -2.543874 -2.848449 ESP Fit Center 5245 is at 3.929574 -2.208361 -2.848449 ESP Fit Center 5246 is at 4.091413 -1.817648 -2.848449 ESP Fit Center 5247 is at 3.766507 -1.398361 -3.035896 ESP Fit Center 5248 is at 3.691732 -0.974292 -3.035896 ESP Fit Center 5249 is at 3.476427 -0.601372 -3.035896 ESP Fit Center 5250 is at 3.146560 -0.324581 -3.035896 ESP Fit Center 5251 is at 3.691732 -1.822430 -3.035896 ESP Fit Center 5252 is at 5.128567 -1.708056 2.102429 ESP Fit Center 5253 is at 5.056235 -1.297842 2.102429 ESP Fit Center 5254 is at 4.847963 -2.479008 2.102429 ESP Fit Center 5255 is at 5.056235 -2.118271 2.102429 ESP Fit Center 5256 is at 5.476995 -1.708056 1.874790 ESP Fit Center 5257 is at 5.419598 -1.290461 1.874790 ESP Fit Center 5258 is at 5.251663 -0.903836 1.874790 ESP Fit Center 5259 is at 4.641275 -3.082339 1.874790 ESP Fit Center 5260 is at 4.985646 -2.839256 1.874790 ESP Fit Center 5261 is at 5.251663 -2.512277 1.874790 ESP Fit Center 5262 is at 5.419598 -2.125652 1.874790 ESP Fit Center 5263 is at 5.783204 -1.708056 1.592905 ESP Fit Center 5264 is at 5.733228 -1.280489 1.592905 ESP Fit Center 5265 is at 5.585996 -0.875972 1.592905 ESP Fit Center 5266 is at 5.349444 -0.516313 1.592905 ESP Fit Center 5267 is at 4.663521 -3.410451 1.592905 ESP Fit Center 5268 is at 5.036326 -3.195212 1.592905 ESP Fit Center 5269 is at 5.349444 -2.899800 1.592905 ESP Fit Center 5270 is at 5.585996 -2.540141 1.592905 ESP Fit Center 5271 is at 5.733228 -2.135624 1.592905 ESP Fit Center 5272 is at 6.038839 -1.708056 1.264465 ESP Fit Center 5273 is at 5.995654 -1.283385 1.264465 ESP Fit Center 5274 is at 5.867867 -0.876100 1.264465 ESP Fit Center 5275 is at 5.660711 -0.502875 1.264465 ESP Fit Center 5276 is at 5.382665 -0.178990 1.264465 ESP Fit Center 5277 is at 4.661875 -3.686394 1.264465 ESP Fit Center 5278 is at 5.045113 -3.498407 1.264465 ESP Fit Center 5279 is at 5.382665 -3.237122 1.264465 ESP Fit Center 5280 is at 5.660711 -2.913238 1.264465 ESP Fit Center 5281 is at 5.867867 -2.540013 1.264465 ESP Fit Center 5282 is at 5.995654 -2.132728 1.264465 ESP Fit Center 5283 is at 6.236928 -1.708056 0.898428 ESP Fit Center 5284 is at 6.197634 -1.284009 0.898428 ESP Fit Center 5285 is at 6.081091 -0.874401 0.898428 ESP Fit Center 5286 is at 5.891267 -0.493183 0.898428 ESP Fit Center 5287 is at 5.634626 -0.153336 0.898428 ESP Fit Center 5288 is at 5.319909 0.133567 0.898428 ESP Fit Center 5289 is at 4.560725 -3.927708 0.898428 ESP Fit Center 5290 is at 4.957831 -3.773868 0.898428 ESP Fit Center 5291 is at 5.319909 -3.549680 0.898428 ESP Fit Center 5292 is at 5.634626 -3.262777 0.898428 ESP Fit Center 5293 is at 5.891267 -2.922930 0.898428 ESP Fit Center 5294 is at 6.081091 -2.541711 0.898428 ESP Fit Center 5295 is at 6.197634 -2.132104 0.898428 ESP Fit Center 5296 is at 6.372068 -1.708056 0.504779 ESP Fit Center 5297 is at 6.334955 -1.283853 0.504779 ESP Fit Center 5298 is at 6.224744 -0.872539 0.504779 ESP Fit Center 5299 is at 6.044783 -0.486612 0.504779 ESP Fit Center 5300 is at 5.800541 -0.137798 0.504779 ESP Fit Center 5301 is at 5.499438 0.163305 0.504779 ESP Fit Center 5302 is at 4.353383 -4.113832 0.504779 ESP Fit Center 5303 is at 4.764696 -4.003621 0.504779 ESP Fit Center 5304 is at 5.150624 -3.823660 0.504779 ESP Fit Center 5305 is at 5.499438 -3.579418 0.504779 ESP Fit Center 5306 is at 5.800541 -3.278315 0.504779 ESP Fit Center 5307 is at 6.044783 -2.929501 0.504779 ESP Fit Center 5308 is at 6.224744 -2.543573 0.504779 ESP Fit Center 5309 is at 6.334955 -2.132260 0.504779 ESP Fit Center 5310 is at 6.440572 -1.708056 0.094255 ESP Fit Center 5311 is at 6.404448 -1.283629 0.094255 ESP Fit Center 5312 is at 6.297115 -0.871411 0.094255 ESP Fit Center 5313 is at 6.121661 -0.483263 0.094255 ESP Fit Center 5314 is at 5.883133 -0.130349 0.094255 ESP Fit Center 5315 is at 5.588393 0.177177 0.094255 ESP Fit Center 5316 is at 5.245921 0.430468 0.094255 ESP Fit Center 5317 is at 4.458278 -4.163082 0.094255 ESP Fit Center 5318 is at 4.865568 -4.038350 0.094255 ESP Fit Center 5319 is at 5.245921 -3.846581 0.094255 ESP Fit Center 5320 is at 5.588393 -3.593289 0.094255 ESP Fit Center 5321 is at 5.883133 -3.285764 0.094255 ESP Fit Center 5322 is at 6.121661 -2.932850 0.094255 ESP Fit Center 5323 is at 6.297115 -2.544701 0.094255 ESP Fit Center 5324 is at 6.404448 -2.132484 0.094255 ESP Fit Center 5325 is at 6.440572 -1.708056 -0.321944 ESP Fit Center 5326 is at 6.404448 -1.283629 -0.321944 ESP Fit Center 5327 is at 6.297115 -0.871411 -0.321944 ESP Fit Center 5328 is at 6.121661 -0.483263 -0.321944 ESP Fit Center 5329 is at 5.883133 -0.130349 -0.321944 ESP Fit Center 5330 is at 5.588393 0.177177 -0.321944 ESP Fit Center 5331 is at 5.245921 0.430468 -0.321944 ESP Fit Center 5332 is at 4.458278 -4.163082 -0.321944 ESP Fit Center 5333 is at 4.865568 -4.038350 -0.321944 ESP Fit Center 5334 is at 5.245921 -3.846581 -0.321944 ESP Fit Center 5335 is at 5.588393 -3.593289 -0.321944 ESP Fit Center 5336 is at 5.883133 -3.285764 -0.321944 ESP Fit Center 5337 is at 6.121661 -2.932850 -0.321944 ESP Fit Center 5338 is at 6.297115 -2.544701 -0.321944 ESP Fit Center 5339 is at 6.404448 -2.132484 -0.321944 ESP Fit Center 5340 is at 6.372068 -1.708056 -0.732468 ESP Fit Center 5341 is at 6.334955 -1.283853 -0.732468 ESP Fit Center 5342 is at 6.224744 -0.872539 -0.732468 ESP Fit Center 5343 is at 6.044783 -0.486612 -0.732468 ESP Fit Center 5344 is at 5.800541 -0.137798 -0.732468 ESP Fit Center 5345 is at 5.499438 0.163305 -0.732468 ESP Fit Center 5346 is at 5.150624 0.407547 -0.732468 ESP Fit Center 5347 is at 4.353383 -4.113832 -0.732468 ESP Fit Center 5348 is at 4.764696 -4.003621 -0.732468 ESP Fit Center 5349 is at 5.150624 -3.823660 -0.732468 ESP Fit Center 5350 is at 5.499438 -3.579418 -0.732468 ESP Fit Center 5351 is at 5.800541 -3.278315 -0.732468 ESP Fit Center 5352 is at 6.044783 -2.929501 -0.732468 ESP Fit Center 5353 is at 6.224744 -2.543573 -0.732468 ESP Fit Center 5354 is at 6.334955 -2.132260 -0.732468 ESP Fit Center 5355 is at 6.236928 -1.708056 -1.126117 ESP Fit Center 5356 is at 6.197634 -1.284009 -1.126117 ESP Fit Center 5357 is at 6.081091 -0.874401 -1.126117 ESP Fit Center 5358 is at 5.891267 -0.493183 -1.126117 ESP Fit Center 5359 is at 5.634626 -0.153336 -1.126117 ESP Fit Center 5360 is at 5.319909 0.133567 -1.126117 ESP Fit Center 5361 is at 4.142112 -4.005961 -1.126117 ESP Fit Center 5362 is at 4.560725 -3.927708 -1.126117 ESP Fit Center 5363 is at 4.957831 -3.773868 -1.126117 ESP Fit Center 5364 is at 5.319909 -3.549680 -1.126117 ESP Fit Center 5365 is at 5.634626 -3.262777 -1.126117 ESP Fit Center 5366 is at 5.891267 -2.922930 -1.126117 ESP Fit Center 5367 is at 6.081091 -2.541711 -1.126117 ESP Fit Center 5368 is at 6.197634 -2.132104 -1.126117 ESP Fit Center 5369 is at 6.038839 -1.708056 -1.492154 ESP Fit Center 5370 is at 5.995654 -1.283385 -1.492154 ESP Fit Center 5371 is at 5.867867 -0.876100 -1.492154 ESP Fit Center 5372 is at 5.660711 -0.502875 -1.492154 ESP Fit Center 5373 is at 5.382665 -0.178990 -1.492154 ESP Fit Center 5374 is at 5.045113 0.082294 -1.492154 ESP Fit Center 5375 is at 4.248640 -3.793388 -1.492154 ESP Fit Center 5376 is at 4.661875 -3.686394 -1.492154 ESP Fit Center 5377 is at 5.045113 -3.498407 -1.492154 ESP Fit Center 5378 is at 5.382665 -3.237122 -1.492154 ESP Fit Center 5379 is at 5.660711 -2.913238 -1.492154 ESP Fit Center 5380 is at 5.867867 -2.540013 -1.492154 ESP Fit Center 5381 is at 5.995654 -2.132728 -1.492154 ESP Fit Center 5382 is at 5.783204 -1.708056 -1.820594 ESP Fit Center 5383 is at 5.733228 -1.280489 -1.820594 ESP Fit Center 5384 is at 5.585996 -0.875972 -1.820594 ESP Fit Center 5385 is at 5.349444 -0.516313 -1.820594 ESP Fit Center 5386 is at 5.036326 -0.220901 -1.820594 ESP Fit Center 5387 is at 4.251127 -3.533914 -1.820594 ESP Fit Center 5388 is at 4.663521 -3.410451 -1.820594 ESP Fit Center 5389 is at 5.036326 -3.195212 -1.820594 ESP Fit Center 5390 is at 5.349444 -2.899800 -1.820594 ESP Fit Center 5391 is at 5.585996 -2.540141 -1.820594 ESP Fit Center 5392 is at 5.733228 -2.135624 -1.820594 ESP Fit Center 5393 is at 5.476995 -1.708056 -2.102479 ESP Fit Center 5394 is at 5.419598 -1.290461 -2.102479 ESP Fit Center 5395 is at 5.251663 -0.903836 -2.102479 ESP Fit Center 5396 is at 4.985646 -0.576857 -2.102479 ESP Fit Center 5397 is at 4.244092 -3.223498 -2.102479 ESP Fit Center 5398 is at 4.641275 -3.082339 -2.102479 ESP Fit Center 5399 is at 4.985646 -2.839256 -2.102479 ESP Fit Center 5400 is at 5.251663 -2.512277 -2.102479 ESP Fit Center 5401 is at 5.419598 -2.125652 -2.102479 ESP Fit Center 5402 is at 5.128567 -1.708056 -2.330118 ESP Fit Center 5403 is at 5.056235 -1.297842 -2.330118 ESP Fit Center 5404 is at 4.847963 -0.937105 -2.330118 ESP Fit Center 5405 is at 4.528873 -2.746756 -2.330118 ESP Fit Center 5406 is at 4.847963 -2.479008 -2.330118 ESP Fit Center 5407 is at 5.056235 -2.118271 -2.330118 ESP Fit Center 5408 is at 4.747422 -1.708056 -2.497304 ESP Fit Center 5409 is at 4.637798 -2.117178 -2.497304 ESP Fit Center 5410 is at -0.010427 -3.352667 -1.061535 ESP Fit Center 5411 is at 0.309331 -3.634090 -1.061535 ESP Fit Center 5412 is at 0.672050 -3.857425 -1.061535 ESP Fit Center 5413 is at -0.278025 -3.021254 -1.477735 ESP Fit Center 5414 is at -0.010427 -3.352667 -1.477735 ESP Fit Center 5415 is at 0.309331 -3.634090 -1.477735 ESP Fit Center 5416 is at 0.672050 -3.857425 -1.477735 ESP Fit Center 5417 is at 1.067295 -4.016247 -1.477735 ESP Fit Center 5418 is at -0.492876 -2.450454 -1.888258 ESP Fit Center 5419 is at -0.312915 -2.836381 -1.888258 ESP Fit Center 5420 is at -0.068673 -3.185196 -1.888258 ESP Fit Center 5421 is at 0.232430 -3.486298 -1.888258 ESP Fit Center 5422 is at 0.581244 -3.730541 -1.888258 ESP Fit Center 5423 is at 0.967171 -3.910501 -1.888258 ESP Fit Center 5424 is at 1.378485 -4.020713 -1.888258 ESP Fit Center 5425 is at 1.802688 -4.057826 -1.888258 ESP Fit Center 5426 is at -0.349223 -2.448592 -2.281907 ESP Fit Center 5427 is at -0.159399 -2.829810 -2.281907 ESP Fit Center 5428 is at 0.097241 -3.169657 -2.281907 ESP Fit Center 5429 is at 0.411959 -3.456560 -2.281907 ESP Fit Center 5430 is at 0.774036 -3.680749 -2.281907 ESP Fit Center 5431 is at 1.171143 -3.834589 -2.281907 ESP Fit Center 5432 is at 1.589756 -3.912841 -2.281907 ESP Fit Center 5433 is at 2.015621 -3.912841 -2.281907 ESP Fit Center 5434 is at 2.434234 -3.834589 -2.281907 ESP Fit Center 5435 is at -0.210221 -2.246491 -2.647944 ESP Fit Center 5436 is at -0.041885 -2.638759 -2.647944 ESP Fit Center 5437 is at 0.201967 -2.989111 -2.647944 ESP Fit Center 5438 is at 0.511353 -3.283205 -2.647944 ESP Fit Center 5439 is at 0.873607 -3.508999 -2.647944 ESP Fit Center 5440 is at 1.273897 -3.657250 -2.647944 ESP Fit Center 5441 is at 1.695836 -3.721889 -2.647944 ESP Fit Center 5442 is at 2.122149 -3.700269 -2.647944 ESP Fit Center 5443 is at 2.535384 -3.593275 -2.647944 ESP Fit Center 5444 is at 2.918622 -3.405287 -2.647944 ESP Fit Center 5445 is at 2.537030 0.087458 -2.976384 ESP Fit Center 5446 is at 2.124636 0.210921 -2.976384 ESP Fit Center 5447 is at -0.038800 -1.830176 -2.976384 ESP Fit Center 5448 is at 0.060475 -2.249051 -2.976384 ESP Fit Center 5449 is at 0.253674 -2.633740 -2.976384 ESP Fit Center 5450 is at 0.530380 -2.963505 -2.976384 ESP Fit Center 5451 is at 0.875676 -3.220569 -2.976384 ESP Fit Center 5452 is at 1.270948 -3.391073 -2.976384 ESP Fit Center 5453 is at 1.694886 -3.465824 -2.976384 ESP Fit Center 5454 is at 2.124636 -3.440794 -2.976384 ESP Fit Center 5455 is at 2.537030 -3.317332 -2.976384 ESP Fit Center 5456 is at 2.909835 -3.102093 -2.976384 ESP Fit Center 5457 is at 3.222953 -2.806681 -2.976384 ESP Fit Center 5458 is at 3.459505 -2.447022 -2.976384 ESP Fit Center 5459 is at 3.350504 -1.614937 -3.258269 ESP Fit Center 5460 is at 3.293107 -1.197341 -3.258269 ESP Fit Center 5461 is at 3.125172 -0.810717 -3.258269 ESP Fit Center 5462 is at 2.859155 -0.483737 -3.258269 ESP Fit Center 5463 is at 2.514784 -0.240654 -3.258269 ESP Fit Center 5464 is at 2.117601 -0.099495 -3.258269 ESP Fit Center 5465 is at 1.697062 -0.070729 -3.258269 ESP Fit Center 5466 is at 0.269289 -1.825698 -3.258269 ESP Fit Center 5467 is at 0.383014 -2.231589 -3.258269 ESP Fit Center 5468 is at 0.602030 -2.591745 -3.258269 ESP Fit Center 5469 is at 0.910093 -2.879456 -3.258269 ESP Fit Center 5470 is at 1.284356 -3.073384 -3.258269 ESP Fit Center 5471 is at 1.697062 -3.159145 -3.258269 ESP Fit Center 5472 is at 2.117601 -3.130379 -3.258269 ESP Fit Center 5473 is at 2.514784 -2.989220 -3.258269 ESP Fit Center 5474 is at 2.859155 -2.746137 -3.258269 ESP Fit Center 5475 is at 3.125172 -2.419157 -3.258269 ESP Fit Center 5476 is at 3.293107 -2.032533 -3.258269 ESP Fit Center 5477 is at 3.002076 -1.614937 -3.485908 ESP Fit Center 5478 is at 2.929744 -1.204722 -3.485908 ESP Fit Center 5479 is at 2.721472 -0.843986 -3.485908 ESP Fit Center 5480 is at 2.402382 -0.576237 -3.485908 ESP Fit Center 5481 is at 2.010960 -0.433771 -3.485908 ESP Fit Center 5482 is at 1.594417 -0.433771 -3.485908 ESP Fit Center 5483 is at 1.202995 -0.576237 -3.485908 ESP Fit Center 5484 is at 0.883904 -0.843986 -3.485908 ESP Fit Center 5485 is at 0.675633 -1.204722 -3.485908 ESP Fit Center 5486 is at 0.603301 -1.614937 -3.485908 ESP Fit Center 5487 is at 0.675633 -2.025152 -3.485908 ESP Fit Center 5488 is at 0.883904 -2.385888 -3.485908 ESP Fit Center 5489 is at 1.202995 -2.653637 -3.485908 ESP Fit Center 5490 is at 1.594417 -2.796103 -3.485908 ESP Fit Center 5491 is at 2.010960 -2.796103 -3.485908 ESP Fit Center 5492 is at 2.402382 -2.653637 -3.485908 ESP Fit Center 5493 is at 2.721472 -2.385888 -3.485908 ESP Fit Center 5494 is at 2.929744 -2.025152 -3.485908 ESP Fit Center 5495 is at 2.620931 -1.614937 -3.653094 ESP Fit Center 5496 is at 2.511307 -1.205816 -3.653094 ESP Fit Center 5497 is at 2.211810 -0.906318 -3.653094 ESP Fit Center 5498 is at 1.802688 -0.796694 -3.653094 ESP Fit Center 5499 is at 1.393567 -0.906318 -3.653094 ESP Fit Center 5500 is at 1.094069 -1.205816 -3.653094 ESP Fit Center 5501 is at 0.984446 -1.614937 -3.653094 ESP Fit Center 5502 is at 1.094069 -2.024058 -3.653094 ESP Fit Center 5503 is at 1.393567 -2.323556 -3.653094 ESP Fit Center 5504 is at 1.802688 -2.433180 -3.653094 ESP Fit Center 5505 is at 2.211810 -2.323556 -3.653094 ESP Fit Center 5506 is at 2.511307 -2.024058 -3.653094 ESP Fit Center 5507 is at 2.217467 -1.614937 -3.755265 ESP Fit Center 5508 is at 2.010077 -1.255728 -3.755265 ESP Fit Center 5509 is at 1.595299 -1.255728 -3.755265 ESP Fit Center 5510 is at 1.387910 -1.614937 -3.755265 ESP Fit Center 5511 is at 1.595299 -1.974146 -3.755265 ESP Fit Center 5512 is at 2.010077 -1.974146 -3.755265 ESP Fit Center 5513 is at 1.802688 -1.614937 -3.789635 ESP Fit Center 5514 is at 0.212267 -2.064554 2.909836 ESP Fit Center 5515 is at 0.212267 -2.486076 2.909836 ESP Fit Center 5516 is at 0.325993 -2.891966 2.909836 ESP Fit Center 5517 is at 0.545009 -3.252123 2.909836 ESP Fit Center 5518 is at 0.853072 -3.539834 2.909836 ESP Fit Center 5519 is at -0.095821 -2.060076 2.627952 ESP Fit Center 5520 is at -0.095821 -2.490554 2.627952 ESP Fit Center 5521 is at 0.003454 -2.909428 2.627952 ESP Fit Center 5522 is at 0.196652 -3.294118 2.627952 ESP Fit Center 5523 is at 0.473358 -3.623883 2.627952 ESP Fit Center 5524 is at 0.818655 -3.880947 2.627952 ESP Fit Center 5525 is at 1.213927 -4.051450 2.627952 ESP Fit Center 5526 is at -0.353168 -2.488745 2.299511 ESP Fit Center 5527 is at -0.267242 -2.906869 2.299511 ESP Fit Center 5528 is at -0.098907 -3.299137 2.299511 ESP Fit Center 5529 is at 0.144946 -3.649489 2.299511 ESP Fit Center 5530 is at 0.454332 -3.943582 2.299511 ESP Fit Center 5531 is at 0.816585 -4.169377 2.299511 ESP Fit Center 5532 is at 1.216876 -4.317628 2.299511 ESP Fit Center 5533 is at 1.638815 -4.382266 2.299511 ESP Fit Center 5534 is at 2.065128 -4.360646 2.299511 ESP Fit Center 5535 is at -0.522788 -2.699362 1.933474 ESP Fit Center 5536 is at -0.406245 -3.108970 1.933474 ESP Fit Center 5537 is at -0.216420 -3.490188 1.933474 ESP Fit Center 5538 is at 0.040220 -3.830035 1.933474 ESP Fit Center 5539 is at 0.354938 -4.116938 1.933474 ESP Fit Center 5540 is at 0.717015 -4.341127 1.933474 ESP Fit Center 5541 is at 1.114122 -4.494967 1.933474 ESP Fit Center 5542 is at 1.532735 -4.573219 1.933474 ESP Fit Center 5543 is at 1.958599 -4.573219 1.933474 ESP Fit Center 5544 is at 2.377213 -4.494967 1.933474 ESP Fit Center 5545 is at 2.774319 -4.341127 1.933474 ESP Fit Center 5546 is at -0.549897 -3.110832 1.539825 ESP Fit Center 5547 is at -0.369937 -3.496759 1.539825 ESP Fit Center 5548 is at -0.125694 -3.845573 1.539825 ESP Fit Center 5549 is at 0.175409 -4.146676 1.539825 ESP Fit Center 5550 is at 0.524223 -4.390918 1.539825 ESP Fit Center 5551 is at 0.910150 -4.570879 1.539825 ESP Fit Center 5552 is at 1.321464 -4.681090 1.539825 ESP Fit Center 5553 is at 1.745667 -4.718203 1.539825 ESP Fit Center 5554 is at 2.169870 -4.681090 1.539825 ESP Fit Center 5555 is at 2.581184 -4.570879 1.539825 ESP Fit Center 5556 is at 2.967111 -4.390918 1.539825 ESP Fit Center 5557 is at 3.315926 -4.146676 1.539825 ESP Fit Center 5558 is at -0.542786 -3.309761 1.129302 ESP Fit Center 5559 is at -0.335046 -3.681631 1.129302 ESP Fit Center 5560 is at -0.067448 -4.013045 1.129302 ESP Fit Center 5561 is at 0.252310 -4.294467 1.129302 ESP Fit Center 5562 is at 0.615029 -4.517802 1.129302 ESP Fit Center 5563 is at 1.010274 -4.676625 1.129302 ESP Fit Center 5564 is at 1.426675 -4.766366 1.129302 ESP Fit Center 5565 is at 1.852254 -4.784445 1.129302 ESP Fit Center 5566 is at 2.274766 -4.730340 1.129302 ESP Fit Center 5567 is at 2.682056 -4.605609 1.129302 ESP Fit Center 5568 is at 3.062409 -4.413839 1.129302 ESP Fit Center 5569 is at -0.335046 -3.681631 0.713102 ESP Fit Center 5570 is at -0.067448 -4.013045 0.713102 ESP Fit Center 5571 is at 0.252310 -4.294467 0.713102 ESP Fit Center 5572 is at 0.615029 -4.517802 0.713102 ESP Fit Center 5573 is at 1.010274 -4.676625 0.713102 ESP Fit Center 5574 is at 1.426675 -4.766366 0.713102 ESP Fit Center 5575 is at 1.852254 -4.784445 0.713102 ESP Fit Center 5576 is at 2.274766 -4.730340 0.713102 ESP Fit Center 5577 is at 2.682056 -4.605609 0.713102 ESP Fit Center 5578 is at -0.369937 -3.496759 0.302579 ESP Fit Center 5579 is at -0.125694 -3.845573 0.302579 ESP Fit Center 5580 is at 0.175409 -4.146676 0.302579 ESP Fit Center 5581 is at 0.524223 -4.390918 0.302579 ESP Fit Center 5582 is at 0.910150 -4.570879 0.302579 ESP Fit Center 5583 is at 1.321464 -4.681090 0.302579 ESP Fit Center 5584 is at 1.745667 -4.718203 0.302579 ESP Fit Center 5585 is at 2.169870 -4.681090 0.302579 ESP Fit Center 5586 is at -0.216420 -3.490188 -0.091070 ESP Fit Center 5587 is at 0.040220 -3.830035 -0.091070 ESP Fit Center 5588 is at 0.354938 -4.116938 -0.091070 ESP Fit Center 5589 is at 0.717015 -4.341127 -0.091070 ESP Fit Center 5590 is at 1.114122 -4.494967 -0.091070 ESP Fit Center 5591 is at 1.532735 -4.573219 -0.091070 ESP Fit Center 5592 is at -0.098907 -3.299137 -0.457107 ESP Fit Center 5593 is at 0.144946 -3.649489 -0.457107 ESP Fit Center 5594 is at 0.454332 -3.943582 -0.457107 ESP Fit Center 5595 is at 0.816585 -4.169377 -0.457107 ESP Fit Center 5596 is at 2.200242 -2.231825 3.972498 ESP Fit Center 5597 is at 2.621637 -2.231825 3.930994 ESP Fit Center 5598 is at 2.410939 -1.866886 3.930994 ESP Fit Center 5599 is at 1.989544 -1.866886 3.930994 ESP Fit Center 5600 is at 1.778846 -2.231825 3.930994 ESP Fit Center 5601 is at 1.989544 -2.596764 3.930994 ESP Fit Center 5602 is at 2.410939 -2.596764 3.930994 ESP Fit Center 5603 is at 3.026838 -2.231825 3.808078 ESP Fit Center 5604 is at 2.916095 -1.818527 3.808078 ESP Fit Center 5605 is at 2.613540 -1.515972 3.808078 ESP Fit Center 5606 is at 2.200242 -1.405229 3.808078 ESP Fit Center 5607 is at 1.786943 -1.515972 3.808078 ESP Fit Center 5608 is at 1.484388 -1.818527 3.808078 ESP Fit Center 5609 is at 1.373645 -2.231825 3.808078 ESP Fit Center 5610 is at 1.484388 -2.645123 3.808078 ESP Fit Center 5611 is at 1.786943 -2.947678 3.808078 ESP Fit Center 5612 is at 2.200242 -3.058421 3.808078 ESP Fit Center 5613 is at 2.613540 -2.947678 3.808078 ESP Fit Center 5614 is at 2.916095 -2.645123 3.808078 ESP Fit Center 5615 is at 3.400273 -2.231825 3.608472 ESP Fit Center 5616 is at 3.327903 -1.821390 3.608472 ESP Fit Center 5617 is at 3.119519 -1.460459 3.608472 ESP Fit Center 5618 is at 2.800257 -1.192567 3.608472 ESP Fit Center 5619 is at 2.408625 -1.050024 3.608472 ESP Fit Center 5620 is at 1.991858 -1.050024 3.608472 ESP Fit Center 5621 is at 1.600226 -1.192567 3.608472 ESP Fit Center 5622 is at 1.280964 -1.460459 3.608472 ESP Fit Center 5623 is at 1.072581 -1.821390 3.608472 ESP Fit Center 5624 is at 1.000210 -2.231825 3.608472 ESP Fit Center 5625 is at 1.072581 -2.642260 3.608472 ESP Fit Center 5626 is at 1.280964 -3.003191 3.608472 ESP Fit Center 5627 is at 1.600226 -3.271083 3.608472 ESP Fit Center 5628 is at 1.991858 -3.413626 3.608472 ESP Fit Center 5629 is at 2.408625 -3.413626 3.608472 ESP Fit Center 5630 is at 2.800257 -3.271083 3.608472 ESP Fit Center 5631 is at 3.119519 -3.003191 3.608472 ESP Fit Center 5632 is at 3.327903 -2.642260 3.608472 ESP Fit Center 5633 is at 3.727592 -2.231825 3.339849 ESP Fit Center 5634 is at 3.670954 -1.819751 3.339849 ESP Fit Center 5635 is at 3.505240 -1.438238 3.339849 ESP Fit Center 5636 is at 3.242740 -1.115582 3.339849 ESP Fit Center 5637 is at 2.902922 -0.875713 3.339849 ESP Fit Center 5638 is at 2.510990 -0.736420 3.339849 ESP Fit Center 5639 is at 2.096011 -0.708035 3.339849 ESP Fit Center 5640 is at 1.688763 -0.792662 3.339849 ESP Fit Center 5641 is at 1.319449 -0.984026 3.339849 ESP Fit Center 5642 is at 1.015458 -1.267932 3.339849 ESP Fit Center 5643 is at 0.799338 -1.623327 3.339849 ESP Fit Center 5644 is at 0.687117 -2.023851 3.339849 ESP Fit Center 5645 is at 0.687117 -2.439799 3.339849 ESP Fit Center 5646 is at 0.799338 -2.840323 3.339849 ESP Fit Center 5647 is at 1.015458 -3.195718 3.339849 ESP Fit Center 5648 is at 1.319449 -3.479624 3.339849 ESP Fit Center 5649 is at 1.688763 -3.670988 3.339849 ESP Fit Center 5650 is at 2.096011 -3.755615 3.339849 ESP Fit Center 5651 is at 2.510990 -3.727230 3.339849 ESP Fit Center 5652 is at 2.902922 -3.587937 3.339849 ESP Fit Center 5653 is at 3.242740 -3.348068 3.339849 ESP Fit Center 5654 is at 3.505240 -3.025412 3.339849 ESP Fit Center 5655 is at 3.670954 -2.643899 3.339849 ESP Fit Center 5656 is at 3.996216 -2.231825 3.012530 ESP Fit Center 5657 is at 3.947805 -1.817645 3.012530 ESP Fit Center 5658 is at 3.805183 -1.425793 3.012530 ESP Fit Center 5659 is at 3.576038 -1.077395 3.012530 ESP Fit Center 5660 is at 0.699727 -3.218729 3.012530 ESP Fit Center 5661 is at 0.967769 -3.538169 3.012530 ESP Fit Center 5662 is at 1.302254 -3.787184 3.012530 ESP Fit Center 5663 is at 1.685150 -3.952350 3.012530 ESP Fit Center 5664 is at 2.095815 -4.024761 3.012530 ESP Fit Center 5665 is at 2.512109 -4.000514 3.012530 ESP Fit Center 5666 is at 2.911591 -3.880918 3.012530 ESP Fit Center 5667 is at 3.272723 -3.672418 3.012530 ESP Fit Center 5668 is at 3.576038 -3.386255 3.012530 ESP Fit Center 5669 is at 3.805183 -3.037857 3.012530 ESP Fit Center 5670 is at 3.947805 -2.646005 3.012530 ESP Fit Center 5671 is at 4.195821 -2.231825 2.639094 ESP Fit Center 5672 is at 1.583574 -4.129734 2.639094 ESP Fit Center 5673 is at 1.991647 -4.216473 2.639094 ESP Fit Center 5674 is at 2.408836 -4.216473 2.639094 ESP Fit Center 5675 is at 2.816910 -4.129734 2.639094 ESP Fit Center 5676 is at 3.198031 -3.960048 2.639094 ESP Fit Center 5677 is at 3.535545 -3.714830 2.639094 ESP Fit Center 5678 is at 3.814700 -3.404797 2.639094 ESP Fit Center 5679 is at 4.023294 -3.043500 2.639094 ESP Fit Center 5680 is at 4.152213 -2.646729 2.639094 ESP Fit Center 5681 is at 2.613540 -4.309615 2.233893 ESP Fit Center 5682 is at 3.010955 -4.189060 2.233893 ESP Fit Center 5683 is at 3.377215 -3.993290 2.233893 ESP Fit Center 5684 is at 3.698245 -3.729828 2.233893 ESP Fit Center 5685 is at 3.961707 -3.408798 2.233893 ESP Fit Center 5686 is at 4.157477 -3.042538 2.233893 ESP Fit Center 5687 is at 3.453165 -3.991309 1.812498 ESP Fit Center 5688 is at -2.164704 -3.404202 -1.178846 ESP Fit Center 5689 is at -2.832438 -3.741850 -1.600241 ESP Fit Center 5690 is at -2.444381 -3.607542 -1.600241 ESP Fit Center 5691 is at -2.088755 -3.402221 -1.600241 ESP Fit Center 5692 is at -1.778412 -3.133307 -1.600241 ESP Fit Center 5693 is at -1.524570 -2.810521 -1.600241 ESP Fit Center 5694 is at -3.341677 -3.761233 -2.021636 ESP Fit Center 5695 is at -2.928379 -3.720527 -2.021636 ESP Fit Center 5696 is at -2.530964 -3.599972 -2.021636 ESP Fit Center 5697 is at -2.164704 -3.404202 -2.021636 ESP Fit Center 5698 is at -1.843674 -3.140740 -2.021636 ESP Fit Center 5699 is at -1.580212 -2.819710 -2.021636 ESP Fit Center 5700 is at -1.384442 -2.453450 -2.021636 ESP Fit Center 5701 is at -3.958346 -3.540646 -2.426838 ESP Fit Center 5702 is at -3.550272 -3.627384 -2.426838 ESP Fit Center 5703 is at -3.133083 -3.627384 -2.426838 ESP Fit Center 5704 is at -2.725009 -3.540646 -2.426838 ESP Fit Center 5705 is at -2.343888 -3.370959 -2.426838 ESP Fit Center 5706 is at -2.006374 -3.125741 -2.426838 ESP Fit Center 5707 is at -1.727220 -2.815709 -2.426838 ESP Fit Center 5708 is at -1.518625 -2.454412 -2.426838 ESP Fit Center 5709 is at -1.389706 -2.057641 -2.426838 ESP Fit Center 5710 is at -1.545703 -1.642737 -2.800273 ESP Fit Center 5711 is at -1.594114 -1.228556 -2.800273 ESP Fit Center 5712 is at -4.574150 -2.949081 -2.800273 ESP Fit Center 5713 is at -4.239665 -3.198096 -2.800273 ESP Fit Center 5714 is at -3.856769 -3.363261 -2.800273 ESP Fit Center 5715 is at -3.446104 -3.435673 -2.800273 ESP Fit Center 5716 is at -3.029810 -3.411426 -2.800273 ESP Fit Center 5717 is at -2.630328 -3.291829 -2.800273 ESP Fit Center 5718 is at -2.269196 -3.083329 -2.800273 ESP Fit Center 5719 is at -1.965881 -2.797167 -2.800273 ESP Fit Center 5720 is at -1.736736 -2.448769 -2.800273 ESP Fit Center 5721 is at -1.594114 -2.056917 -2.800273 ESP Fit Center 5722 is at -1.814327 -1.642737 -3.127592 ESP Fit Center 5723 is at -1.870965 -1.230662 -3.127592 ESP Fit Center 5724 is at -2.036679 -0.849150 -3.127592 ESP Fit Center 5725 is at -2.299179 -0.526494 -3.127592 ESP Fit Center 5726 is at -2.638997 -0.286625 -3.127592 ESP Fit Center 5727 is at -3.445908 -0.118947 -3.127592 ESP Fit Center 5728 is at -3.853156 -0.203574 -3.127592 ESP Fit Center 5729 is at -4.222471 -0.394937 -3.127592 ESP Fit Center 5730 is at -4.526461 -0.678844 -3.127592 ESP Fit Center 5731 is at -4.742581 -1.034239 -3.127592 ESP Fit Center 5732 is at -4.854802 -1.434762 -3.127592 ESP Fit Center 5733 is at -4.854802 -1.850711 -3.127592 ESP Fit Center 5734 is at -4.742581 -2.251235 -3.127592 ESP Fit Center 5735 is at -4.526461 -2.606629 -3.127592 ESP Fit Center 5736 is at -4.222471 -2.890536 -3.127592 ESP Fit Center 5737 is at -3.853156 -3.081900 -3.127592 ESP Fit Center 5738 is at -3.445908 -3.166527 -3.127592 ESP Fit Center 5739 is at -3.030929 -3.138141 -3.127592 ESP Fit Center 5740 is at -2.638997 -2.998849 -3.127592 ESP Fit Center 5741 is at -2.299179 -2.758979 -3.127592 ESP Fit Center 5742 is at -2.036679 -2.436324 -3.127592 ESP Fit Center 5743 is at -1.870965 -2.054811 -3.127592 ESP Fit Center 5744 is at -2.141646 -1.642737 -3.396216 ESP Fit Center 5745 is at -2.214017 -1.232302 -3.396216 ESP Fit Center 5746 is at -2.422400 -0.871371 -3.396216 ESP Fit Center 5747 is at -2.741662 -0.603479 -3.396216 ESP Fit Center 5748 is at -3.133294 -0.460936 -3.396216 ESP Fit Center 5749 is at -3.550061 -0.460936 -3.396216 ESP Fit Center 5750 is at -3.941693 -0.603479 -3.396216 ESP Fit Center 5751 is at -4.260955 -0.871371 -3.396216 ESP Fit Center 5752 is at -4.469338 -1.232302 -3.396216 ESP Fit Center 5753 is at -4.541709 -1.642737 -3.396216 ESP Fit Center 5754 is at -4.469338 -2.053172 -3.396216 ESP Fit Center 5755 is at -4.260955 -2.414102 -3.396216 ESP Fit Center 5756 is at -3.941693 -2.681995 -3.396216 ESP Fit Center 5757 is at -3.550061 -2.824537 -3.396216 ESP Fit Center 5758 is at -3.133294 -2.824537 -3.396216 ESP Fit Center 5759 is at -2.741662 -2.681995 -3.396216 ESP Fit Center 5760 is at -2.422400 -2.414102 -3.396216 ESP Fit Center 5761 is at -2.214017 -2.053172 -3.396216 ESP Fit Center 5762 is at -2.515081 -1.642737 -3.595821 ESP Fit Center 5763 is at -2.625824 -1.229439 -3.595821 ESP Fit Center 5764 is at -2.928379 -0.926883 -3.595821 ESP Fit Center 5765 is at -3.341677 -0.816140 -3.595821 ESP Fit Center 5766 is at -3.754976 -0.926883 -3.595821 ESP Fit Center 5767 is at -4.057531 -1.229439 -3.595821 ESP Fit Center 5768 is at -4.168274 -1.642737 -3.595821 ESP Fit Center 5769 is at -4.057531 -2.056035 -3.595821 ESP Fit Center 5770 is at -3.754976 -2.358590 -3.595821 ESP Fit Center 5771 is at -3.341677 -2.469333 -3.595821 ESP Fit Center 5772 is at -2.928379 -2.358590 -3.595821 ESP Fit Center 5773 is at -2.625824 -2.056035 -3.595821 ESP Fit Center 5774 is at -2.920282 -1.642737 -3.718738 ESP Fit Center 5775 is at -3.130980 -1.277798 -3.718738 ESP Fit Center 5776 is at -3.552375 -1.277798 -3.718738 ESP Fit Center 5777 is at -3.763073 -1.642737 -3.718738 ESP Fit Center 5778 is at -3.552375 -2.007676 -3.718738 ESP Fit Center 5779 is at -3.130980 -2.007676 -3.718738 ESP Fit Center 5780 is at -3.341677 -1.642737 -3.760241 ESP Fit Center 5781 is at -1.535657 -0.485849 3.307623 ESP Fit Center 5782 is at -1.590710 -0.067681 3.307623 ESP Fit Center 5783 is at -1.752117 0.321990 3.307623 ESP Fit Center 5784 is at -1.590710 -0.904017 3.307623 ESP Fit Center 5785 is at -1.173102 -0.485849 3.098302 ESP Fit Center 5786 is at -1.216331 -0.074551 3.098302 ESP Fit Center 5787 is at -1.344129 0.318771 3.098302 ESP Fit Center 5788 is at -1.550911 0.676927 3.098302 ESP Fit Center 5789 is at -1.827638 0.984264 3.098302 ESP Fit Center 5790 is at -2.162218 1.227351 3.098302 ESP Fit Center 5791 is at -1.827638 -1.955962 3.098302 ESP Fit Center 5792 is at -1.550911 -1.648625 3.098302 ESP Fit Center 5793 is at -1.344129 -1.290468 3.098302 ESP Fit Center 5794 is at -1.216331 -0.897146 3.098302 ESP Fit Center 5795 is at -2.436258 1.714930 2.848306 ESP Fit Center 5796 is at -2.840714 1.807244 2.848306 ESP Fit Center 5797 is at -2.436258 -2.686627 2.848306 ESP Fit Center 5798 is at -2.054785 -2.523578 2.848306 ESP Fit Center 5799 is at -1.708557 -2.295034 2.848306 ESP Fit Center 5800 is at -1.408700 -2.008342 2.848306 ESP Fit Center 5801 is at -1.164853 -1.672716 2.848306 ESP Fit Center 5802 is at -2.741703 2.100458 2.561016 ESP Fit Center 5803 is at -3.151334 2.132696 2.561016 ESP Fit Center 5804 is at -3.560965 2.100458 2.561016 ESP Fit Center 5805 is at -3.151334 -3.104394 2.561016 ESP Fit Center 5806 is at -2.741703 -3.072155 2.561016 ESP Fit Center 5807 is at -2.342159 -2.976233 2.561016 ESP Fit Center 5808 is at -1.962539 -2.818990 2.561016 ESP Fit Center 5809 is at -1.612192 -2.604296 2.561016 ESP Fit Center 5810 is at -1.299743 -2.337440 2.561016 ESP Fit Center 5811 is at -1.032887 -2.024991 2.561016 ESP Fit Center 5812 is at -2.740380 2.372403 2.240317 ESP Fit Center 5813 is at -3.151334 2.401795 2.240317 ESP Fit Center 5814 is at -3.562289 2.372403 2.240317 ESP Fit Center 5815 is at -3.964877 2.284825 2.240317 ESP Fit Center 5816 is at -4.350905 2.140844 2.240317 ESP Fit Center 5817 is at -3.964877 -3.256522 2.240317 ESP Fit Center 5818 is at -3.562289 -3.344100 2.240317 ESP Fit Center 5819 is at -3.151334 -3.373492 2.240317 ESP Fit Center 5820 is at -2.740380 -3.344100 2.240317 ESP Fit Center 5821 is at -2.337791 -3.256522 2.240317 ESP Fit Center 5822 is at -1.951764 -3.112542 2.240317 ESP Fit Center 5823 is at -1.590156 -2.915089 2.240317 ESP Fit Center 5824 is at -1.260330 -2.668184 2.240317 ESP Fit Center 5825 is at -2.839267 2.616185 1.890546 ESP Fit Center 5826 is at -3.255512 2.630102 1.890546 ESP Fit Center 5827 is at -3.669898 2.588414 1.890546 ESP Fit Center 5828 is at -4.075030 2.491866 1.890546 ESP Fit Center 5829 is at -4.463679 2.342181 1.890546 ESP Fit Center 5830 is at -4.828909 2.142029 1.890546 ESP Fit Center 5831 is at -5.164203 1.894983 1.890546 ESP Fit Center 5832 is at -4.828909 -3.113727 1.890546 ESP Fit Center 5833 is at -4.463679 -3.313878 1.890546 ESP Fit Center 5834 is at -4.075030 -3.463564 1.890546 ESP Fit Center 5835 is at -3.669898 -3.560112 1.890546 ESP Fit Center 5836 is at -3.255512 -3.601799 1.890546 ESP Fit Center 5837 is at -2.839267 -3.587883 1.890546 ESP Fit Center 5838 is at -2.428590 -3.518610 1.890546 ESP Fit Center 5839 is at -2.030812 -3.395218 1.890546 ESP Fit 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Fit Center 5967 is at -3.332952 -0.535602 4.308248 ESP Fit Center 5968 is at -3.541611 -0.174193 4.308248 ESP Fit Center 5969 is at -3.958930 -0.174193 4.308248 ESP Fit Center 5970 is at -4.167589 -0.535602 4.308248 ESP Fit Center 5971 is at -3.958930 -0.897010 4.308248 ESP Fit Center 5972 is at -3.541611 -0.897010 4.308248 ESP Fit Center 5973 is at -2.924956 -0.535602 4.215125 ESP Fit Center 5974 is at -3.035527 -0.122944 4.215125 ESP Fit Center 5975 is at -3.337613 0.179142 4.215125 ESP Fit Center 5976 is at -3.750271 0.289713 4.215125 ESP Fit Center 5977 is at -4.162928 0.179142 4.215125 ESP Fit Center 5978 is at -4.465014 -0.122944 4.215125 ESP Fit Center 5979 is at -4.575585 -0.535602 4.215125 ESP Fit Center 5980 is at -4.465014 -0.948259 4.215125 ESP Fit Center 5981 is at -4.162928 -1.250345 4.215125 ESP Fit Center 5982 is at -3.750271 -1.360916 4.215125 ESP Fit Center 5983 is at -3.337613 -1.250345 4.215125 ESP Fit Center 5984 is at -3.035527 -0.948259 4.215125 ESP Fit Center 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Center 6040 is at -5.555061 0.072503 3.592067 ESP Fit Center 6041 is at -5.643590 -0.329691 3.592067 ESP Fit Center 6042 is at -5.643590 -0.741513 3.592067 ESP Fit Center 6043 is at -5.555061 -1.143706 3.592067 ESP Fit Center 6044 is at -5.382141 -1.517466 3.592067 ESP Fit Center 6045 is at -5.132917 -1.845314 3.592067 ESP Fit Center 6046 is at -4.819042 -2.111922 3.592067 ESP Fit Center 6047 is at -4.455193 -2.304823 3.592067 ESP Fit Center 6048 is at -4.058382 -2.414997 3.592067 ESP Fit Center 6049 is at -3.647164 -2.437292 3.592067 ESP Fit Center 6050 is at -3.240767 -2.370667 3.592067 ESP Fit Center 6051 is at -2.858194 -2.218236 3.592067 ESP Fit Center 6052 is at -2.517334 -1.987127 3.592067 ESP Fit Center 6053 is at -2.234124 -1.688146 3.592067 ESP Fit Center 6054 is at -2.021808 -1.335274 3.592067 ESP Fit Center 6055 is at -1.890313 -0.945009 3.592067 ESP Fit Center 6056 is at -1.908659 0.647930 3.285293 ESP Fit Center 6057 is at -2.165924 0.975070 3.285293 ESP Fit Center 6058 is at -2.480452 1.247610 3.285293 ESP Fit Center 6059 is at -2.840874 1.455699 3.285293 ESP Fit Center 6060 is at -3.234164 1.591818 3.285293 ESP Fit Center 6061 is at -3.646108 1.651047 3.285293 ESP Fit Center 6062 is at -4.061816 1.631244 3.285293 ESP Fit Center 6063 is at -4.466264 1.533126 3.285293 ESP Fit Center 6064 is at -4.844835 1.360239 3.285293 ESP Fit Center 6065 is at -5.183845 1.118831 3.285293 ESP Fit Center 6066 is at -5.471042 0.817628 3.285293 ESP Fit Center 6067 is at -5.696045 0.467515 3.285293 ESP Fit Center 6068 is at -5.850724 0.081147 3.285293 ESP Fit Center 6069 is at -5.929486 -0.327512 3.285293 ESP Fit Center 6070 is at -5.929486 -0.743691 3.285293 ESP Fit Center 6071 is at -5.850724 -1.152350 3.285293 ESP Fit Center 6072 is at -5.696045 -1.538718 3.285293 ESP Fit Center 6073 is at -5.471042 -1.888831 3.285293 ESP Fit Center 6074 is at -5.183845 -2.190034 3.285293 ESP Fit Center 6075 is at -4.844835 -2.431442 3.285293 ESP Fit Center 6076 is at -4.466264 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ESP Fit Center 6095 is at -6.096898 0.075413 2.939521 ESP Fit Center 6096 is at -6.166406 -0.329958 2.939521 ESP Fit Center 6097 is at -6.166406 -0.741245 2.939521 ESP Fit Center 6098 is at -6.096898 -1.146616 2.939521 ESP Fit Center 6099 is at -5.959882 -1.534409 2.939521 ESP Fit Center 6100 is at -5.759300 -1.893468 2.939521 ESP Fit Center 6101 is at -5.500921 -2.213464 2.939521 ESP Fit Center 6102 is at -5.192179 -2.485191 2.939521 ESP Fit Center 6103 is at -4.841957 -2.700832 2.939521 ESP Fit Center 6104 is at -4.460328 -2.854183 2.939521 ESP Fit Center 6105 is at -4.058273 -2.940832 2.939521 ESP Fit Center 6106 is at -3.647356 -2.958288 2.939521 ESP Fit Center 6107 is at -3.239401 -2.906047 2.939521 ESP Fit Center 6108 is at -2.846142 -2.785613 2.939521 ESP Fit Center 6109 is at -2.478893 -2.600450 2.939521 ESP Fit Center 6110 is at -3.750271 2.070845 2.562476 ESP Fit Center 6111 is at -4.158009 2.038755 2.562476 ESP Fit Center 6112 is at -4.555707 1.943276 2.562476 ESP Fit Center 6113 is at -4.933573 1.786759 2.562476 ESP Fit Center 6114 is at -5.282301 1.573058 2.562476 ESP Fit Center 6115 is at -5.593307 1.307434 2.562476 ESP Fit Center 6116 is at -5.858930 0.996429 2.562476 ESP Fit Center 6117 is at -6.072631 0.647700 2.562476 ESP Fit Center 6118 is at -6.229149 0.269835 2.562476 ESP Fit Center 6119 is at -6.324627 -0.127864 2.562476 ESP Fit Center 6120 is at -6.356717 -0.535602 2.562476 ESP Fit Center 6121 is at -6.324627 -0.943340 2.562476 ESP Fit Center 6122 is at -6.229149 -1.341038 2.562476 ESP Fit Center 6123 is at -6.072631 -1.718904 2.562476 ESP Fit Center 6124 is at -5.858930 -2.067632 2.562476 ESP Fit Center 6125 is at -5.593307 -2.378638 2.562476 ESP Fit Center 6126 is at -5.282301 -2.644261 2.562476 ESP Fit Center 6127 is at -4.933573 -2.857962 2.562476 ESP Fit Center 6128 is at -4.555707 -3.014480 2.562476 ESP Fit Center 6129 is at -4.158009 -3.109958 2.562476 ESP Fit Center 6130 is at -3.750271 -3.142048 2.562476 ESP Fit Center 6131 is at 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ESP Fit Center 6314 is at -3.348309 1.255732 -3.223263 ESP Fit Center 6315 is at -3.765628 1.255732 -3.223263 ESP Fit Center 6316 is at -3.974287 0.894324 -3.223263 ESP Fit Center 6317 is at -3.556968 0.894324 -3.254537 ESP Fit Center 6318 is at -5.310245 -3.229501 1.004234 ESP Fit Center 6319 is at -4.971235 -3.470909 1.004234 ESP Fit Center 6320 is at -6.086282 -2.573876 0.658463 ESP Fit Center 6321 is at -5.885700 -2.932935 0.658463 ESP Fit Center 6322 is at -5.627321 -3.252931 0.658463 ESP Fit Center 6323 is at -5.318579 -3.524658 0.658463 ESP Fit Center 6324 is at -4.968357 -3.740298 0.658463 ESP Fit Center 6325 is at -4.586728 -3.893649 0.658463 ESP Fit Center 6326 is at -4.184672 -3.980299 0.658463 ESP Fit Center 6327 is at -3.773756 -3.997754 0.658463 ESP Fit Center 6328 is at -6.451027 -1.982806 0.281417 ESP Fit Center 6329 is at -6.355549 -2.380504 0.281417 ESP Fit Center 6330 is at -6.199031 -2.758370 0.281417 ESP Fit Center 6331 is at -5.985330 -3.107099 0.281417 ESP Fit Center 6332 is at -5.719707 -3.418104 0.281417 ESP Fit Center 6333 is at -5.408701 -3.683728 0.281417 ESP Fit Center 6334 is at -5.059973 -3.897429 0.281417 ESP Fit Center 6335 is at -4.682107 -4.053946 0.281417 ESP Fit Center 6336 is at -4.284409 -4.149425 0.281417 ESP Fit Center 6337 is at -3.876671 -4.181515 0.281417 ESP Fit Center 6338 is at -3.468933 -4.149425 0.281417 ESP Fit Center 6339 is at -6.598459 -1.784032 -0.118479 ESP Fit Center 6340 is at -6.534663 -2.197062 -0.118479 ESP Fit Center 6341 is at -6.408565 -2.595513 -0.118479 ESP Fit Center 6342 is at -6.223122 -2.970046 -0.118479 ESP Fit Center 6343 is at -5.982680 -3.311882 -0.118479 ESP Fit Center 6344 is at -5.692875 -3.613008 -0.118479 ESP Fit Center 6345 is at -5.360500 -3.866366 -0.118479 ESP Fit Center 6346 is at -4.993345 -4.066019 -0.118479 ESP Fit Center 6347 is at -4.600017 -4.207286 -0.118479 ESP Fit Center 6348 is at -4.189733 -4.286855 -0.118479 ESP Fit Center 6349 is at -3.772112 -4.302863 -0.118479 ESP Fit Center 6350 is at -3.356941 -4.254934 -0.118479 ESP Fit Center 6351 is at -2.953953 -4.144191 -0.118479 ESP Fit Center 6352 is at -6.637655 -1.158917 -0.532293 ESP Fit Center 6353 is at -6.668841 -1.575068 -0.532293 ESP Fit Center 6354 is at -6.637655 -1.991220 -0.532293 ESP Fit Center 6355 is at -6.544793 -2.398075 -0.532293 ESP Fit Center 6356 is at -6.392329 -2.786546 -0.532293 ESP Fit Center 6357 is at -6.183670 -3.147954 -0.532293 ESP Fit Center 6358 is at -5.923477 -3.474227 -0.532293 ESP Fit Center 6359 is at -5.617561 -3.758075 -0.532293 ESP Fit Center 6360 is at -5.272756 -3.993159 -0.532293 ESP Fit Center 6361 is at -4.896765 -4.174227 -0.532293 ESP Fit Center 6362 is at -4.497987 -4.297233 -0.532293 ESP Fit Center 6363 is at -4.085330 -4.359431 -0.532293 ESP Fit Center 6364 is at -3.668011 -4.359431 -0.532293 ESP Fit Center 6365 is at -3.255354 -4.297233 -0.532293 ESP Fit Center 6366 is at -2.856576 -4.174227 -0.532293 ESP Fit Center 6367 is at -2.480585 -3.993159 -0.532293 ESP Fit Center 6368 is at -6.637655 -1.158917 -0.950782 ESP Fit Center 6369 is at -6.668841 -1.575068 -0.950782 ESP Fit Center 6370 is at -6.637655 -1.991220 -0.950782 ESP Fit Center 6371 is at -6.544793 -2.398075 -0.950782 ESP Fit Center 6372 is at -6.392329 -2.786546 -0.950782 ESP Fit Center 6373 is at -6.183670 -3.147954 -0.950782 ESP Fit Center 6374 is at -5.923477 -3.474227 -0.950782 ESP Fit Center 6375 is at -5.617561 -3.758075 -0.950782 ESP Fit Center 6376 is at -5.272756 -3.993159 -0.950782 ESP Fit Center 6377 is at -4.896765 -4.174227 -0.950782 ESP Fit Center 6378 is at -4.497987 -4.297233 -0.950782 ESP Fit Center 6379 is at -4.085330 -4.359431 -0.950782 ESP Fit Center 6380 is at -3.668011 -4.359431 -0.950782 ESP Fit Center 6381 is at -3.255354 -4.297233 -0.950782 ESP Fit Center 6382 is at -2.856576 -4.174227 -0.950782 ESP Fit Center 6383 is at -2.480585 -3.993159 -0.950782 ESP Fit Center 6384 is at -6.534663 -0.953074 -1.364596 ESP Fit Center 6385 is at -6.598459 -1.366104 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6439 is at -5.508541 -0.593204 -2.794083 ESP Fit Center 6440 is at -5.681461 -0.966964 -2.794083 ESP Fit Center 6441 is at -5.769990 -1.369157 -2.794083 ESP Fit Center 6442 is at -5.769990 -1.780979 -2.794083 ESP Fit Center 6443 is at -5.681461 -2.183173 -2.794083 ESP Fit Center 6444 is at -5.508541 -2.556932 -2.794083 ESP Fit Center 6445 is at -5.259317 -2.884781 -2.794083 ESP Fit Center 6446 is at -4.945442 -3.151388 -2.794083 ESP Fit Center 6447 is at -4.581593 -3.344289 -2.794083 ESP Fit Center 6448 is at -4.991987 -0.459751 -3.055006 ESP Fit Center 6449 is at -5.242649 -0.786420 -3.055006 ESP Fit Center 6450 is at -5.400222 -1.166834 -3.055006 ESP Fit Center 6451 is at -5.453967 -1.575068 -3.055006 ESP Fit Center 6452 is at -5.400222 -1.983302 -3.055006 ESP Fit Center 6453 is at -5.242649 -2.363716 -3.055006 ESP Fit Center 6454 is at -4.991987 -2.690385 -3.055006 ESP Fit Center 6455 is at -5.018279 -1.159557 -3.264250 ESP Fit Center 6456 is at -5.091545 -1.575068 -3.264250 ESP Fit Center 6457 is at -1.160588 -2.951114 -1.812228 ESP Fit Center 6458 is at -0.763107 -2.829387 -1.812228 ESP Fit Center 6459 is at -1.160041 -2.685919 -2.129847 ESP Fit Center 6460 is at -0.766143 -2.549590 -2.129847 ESP Fit Center 6461 is at -1.170442 -2.379469 -2.409321 ESP Fit Center 6462 is at -0.790123 -2.227936 -2.409321 ESP Fit Center 6463 is at -0.959817 -1.939207 -2.645445 ESP Fit Center 6464 is at -1.079343 -1.590291 -2.833821 ESP Fit Center 6465 is at -1.272249 -1.256167 -2.970939 ESP Fit Center 6466 is at -0.907522 -2.622242 2.206048 ESP Fit Center 6467 is at -1.221177 -2.979567 1.966094 ESP Fit Center 6468 is at -0.802030 -2.950897 1.966094 ESP Fit Center 6469 is at -1.222799 -3.275869 1.670277 ESP Fit Center 6470 is at -0.796646 -3.251049 1.670277 ESP Fit Center 6471 is at -1.221172 -3.516266 1.327587 ESP Fit Center 6472 is at -0.801163 -3.494966 1.327587 ESP Fit Center 6473 is at -1.436857 -3.672780 0.948436 ESP Fit Center 6474 is at -1.008590 -3.693181 0.948436 ESP Fit Center 6475 is at -1.641836 -3.744753 0.544343 ESP Fit Center 6476 is at -1.221939 -3.801632 0.544343 ESP Fit Center 6477 is at -0.798634 -3.782621 0.544343 ESP Fit Center 6478 is at -1.532655 -3.804012 0.127587 ESP Fit Center 6479 is at -1.115900 -3.840473 0.127587 ESP Fit Center 6480 is at -0.699144 -3.804012 0.127587 ESP Fit Center 6481 is at -1.641836 -3.744753 -0.289168 ESP Fit Center 6482 is at -1.221939 -3.801632 -0.289168 ESP Fit Center 6483 is at -0.798634 -3.782621 -0.289168 ESP Fit Center 6484 is at -0.385526 -3.688332 -0.289168 ESP Fit Center 6485 is at -1.436857 -3.672780 -0.693261 ESP Fit Center 6486 is at -1.008590 -3.693181 -0.693261 ESP Fit Center 6487 is at -0.584201 -3.632163 -0.693261 ESP Fit Center 6488 is at -1.221172 -3.516266 -1.072413 ESP Fit Center 6489 is at -0.801163 -3.494966 -1.072413 ESP Fit Center 6490 is at -0.394039 -3.389554 -1.072413 ESP Fit Center 6491 is at -1.222799 -3.275869 -1.415103 ESP Fit Center 6492 is at -0.796646 -3.251049 -1.415103 ESP Fit Center 6493 is at -0.802030 -2.950897 -1.710919 ESP Fit Center 6494 is at -1.221989 2.104669 -3.116594 ESP Fit Center 6495 is at -1.637611 2.018302 -3.116594 ESP Fit Center 6496 is at -2.014518 1.823004 -3.116594 ESP Fit Center 6497 is at -2.324758 1.533260 -3.116594 ESP Fit Center 6498 is at -2.545321 1.170559 -3.116594 ESP Fit Center 6499 is at -1.221989 -1.005567 -3.116594 ESP Fit Center 6500 is at -1.323161 1.726596 -3.304970 ESP Fit Center 6501 is at -1.713218 1.584627 -3.304970 ESP Fit Center 6502 is at -2.031195 1.317812 -3.304970 ESP Fit Center 6503 is at -2.238740 0.958334 -3.304970 ESP Fit Center 6504 is at -2.310820 0.549551 -3.304970 ESP Fit Center 6505 is at -1.713218 -0.485526 -3.304970 ESP Fit Center 6506 is at -1.323161 -0.627495 -3.304970 ESP Fit Center 6507 is at -1.115616 1.358941 -3.442088 ESP Fit Center 6508 is at -1.520312 1.250503 -3.442088 ESP Fit Center 6509 is at -1.816569 0.954246 -3.442088 ESP Fit Center 6510 is at -1.925007 0.549551 -3.442088 ESP Fit Center 6511 is at -1.816569 0.144855 -3.442088 ESP Fit Center 6512 is at -1.520312 -0.151402 -3.442088 ESP Fit Center 6513 is at -1.115616 -0.259840 -3.442088 ESP Fit Center 6514 is at -0.911367 0.903322 -3.525394 ESP Fit Center 6515 is at -1.319866 0.903322 -3.525394 ESP Fit Center 6516 is at -1.524116 0.549551 -3.525394 ESP Fit Center 6517 is at -1.319866 0.195779 -3.525394 ESP Fit Center 6518 is at -0.911367 0.195779 -3.525394 ESP Fit Center 6519 is at -1.115616 0.549551 -3.553336 ESP Fit Center 6520 is at -2.212949 3.419881 0.441165 ESP Fit Center 6521 is at -2.429602 3.538995 0.062013 ESP Fit Center 6522 is at -2.217915 3.712050 -0.342079 ESP Fit Center 6523 is at -2.620908 3.581110 -0.342079 ESP Fit Center 6524 is at -2.108734 3.771309 -0.758835 ESP Fit Center 6525 is at -2.512826 3.663032 -0.758835 ESP Fit Center 6526 is at -1.798018 3.768929 -1.175591 ESP Fit Center 6527 is at -2.217915 3.712050 -1.175591 ESP Fit Center 6528 is at -2.620908 3.581110 -1.175591 ESP Fit Center 6529 is at -1.584668 3.660478 -1.579683 ESP Fit Center 6530 is at -2.012935 3.640077 -1.579683 ESP Fit Center 6531 is at -2.429602 3.538995 -1.579683 ESP Fit Center 6532 is at -2.819609 3.360885 -1.579683 ESP Fit Center 6533 is at -1.377241 3.462263 -1.958835 ESP Fit Center 6534 is at -1.797250 3.483563 -1.958835 ESP Fit Center 6535 is at -2.212949 3.419881 -1.958835 ESP Fit Center 6536 is at -2.607320 3.273822 -1.958835 ESP Fit Center 6537 is at -1.372725 3.218346 -2.301525 ESP Fit Center 6538 is at -1.798878 3.243166 -2.301525 ESP Fit Center 6539 is at -2.219268 3.169040 -2.301525 ESP Fit Center 6540 is at -2.611231 2.999964 -2.301525 ESP Fit Center 6541 is at -1.378108 2.918194 -2.597342 ESP Fit Center 6542 is at -1.797255 2.946864 -2.597342 ESP Fit Center 6543 is at -2.208593 2.861387 -2.597342 ESP Fit Center 6544 is at -2.581617 2.668102 -2.597342 ESP Fit Center 6545 is at -1.483600 2.589539 -2.837296 ESP Fit Center 6546 is at -1.900356 2.589539 -2.837296 ESP Fit Center 6547 is at 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-0.927413 -3.268182 ESP Fit Center 6566 is at -0.742228 -1.286376 -3.268182 ESP Fit Center 6567 is at -0.435185 -1.573135 -3.268182 ESP Fit Center 6568 is at 1.582085 0.097621 -3.508136 ESP Fit Center 6569 is at -0.745546 -0.312803 -3.508136 ESP Fit Center 6570 is at -0.673177 -0.723227 -3.508136 ESP Fit Center 6571 is at -0.464799 -1.084148 -3.508136 ESP Fit Center 6572 is at -0.145546 -1.352034 -3.508136 ESP Fit Center 6573 is at 1.165330 0.097621 -3.684937 ESP Fit Center 6574 is at -0.366394 -0.312803 -3.684937 ESP Fit Center 6575 is at -0.256421 -0.723227 -3.684937 ESP Fit Center 6576 is at 0.044030 -1.023679 -3.684937 ESP Fit Center 6577 is at 0.454454 -1.133651 -3.684937 ESP Fit Center 6578 is at 0.871210 -0.312803 -3.793214 ESP Fit Center 6579 is at 0.662832 0.048118 -3.793214 ESP Fit Center 6580 is at 0.246076 0.048118 -3.793214 ESP Fit Center 6581 is at 0.037699 -0.312803 -3.793214 ESP Fit Center 6582 is at 0.246076 -0.673724 -3.793214 ESP Fit Center 6583 is at 0.662832 -0.673724 -3.793214 ESP Fit Center 6584 is at 0.454454 -0.312803 -3.829675 ESP Fit Center 6585 is at -1.246911 3.582544 -1.841112 ESP Fit Center 6586 is at 3.465546 1.845731 -2.241008 ESP Fit Center 6587 is at 3.433456 2.253469 -2.241008 ESP Fit Center 6588 is at -0.672932 3.954390 -2.241008 ESP Fit Center 6589 is at -0.983937 3.688767 -2.241008 ESP Fit Center 6590 is at -1.249560 3.377762 -2.241008 ESP Fit Center 6591 is at 3.433456 1.437993 -2.241008 ESP Fit Center 6592 is at 3.283970 1.845731 -2.618053 ESP Fit Center 6593 is at 3.249091 2.255536 -2.618053 ESP Fit Center 6594 is at 3.145455 2.653552 -2.618053 ESP Fit Center 6595 is at 2.976046 3.028328 -2.618053 ESP Fit Center 6596 is at -0.232587 4.010961 -2.618053 ESP Fit Center 6597 is at -0.582810 3.795320 -2.618053 ESP Fit Center 6598 is at -0.891551 3.523593 -2.618053 ESP Fit Center 6599 is at -1.149930 3.203598 -2.618053 ESP Fit Center 6600 is at 3.249091 1.435926 -2.618053 ESP Fit Center 6601 is at 3.048227 1.845731 -2.963825 ESP Fit Center 6602 is at 3.008667 2.260026 -2.963825 ESP Fit Center 6603 is at 2.891416 2.659348 -2.963825 ESP Fit Center 6604 is at 2.700711 3.029263 -2.963825 ESP Fit Center 6605 is at 2.443446 3.356402 -2.963825 ESP Fit Center 6606 is at 0.963262 4.032379 -2.963825 ESP Fit Center 6607 is at 0.547554 4.012577 -2.963825 ESP Fit Center 6608 is at 0.143105 3.914459 -2.963825 ESP Fit Center 6609 is at -0.235465 3.741571 -2.963825 ESP Fit Center 6610 is at -0.574475 3.500164 -2.963825 ESP Fit Center 6611 is at -0.861672 3.198960 -2.963825 ESP Fit Center 6612 is at -1.086676 2.848847 -2.963825 ESP Fit Center 6613 is at -1.241354 2.462480 -2.963825 ESP Fit Center 6614 is at 2.891416 1.032114 -2.963825 ESP Fit Center 6615 is at 3.008667 1.431436 -2.963825 ESP Fit Center 6616 is at 2.763583 1.845731 -3.270598 ESP Fit Center 6617 is at 2.719057 2.255139 -3.270598 ESP Fit Center 6618 is at 2.587562 2.645403 -3.270598 ESP Fit Center 6619 is at 2.375245 2.998275 -3.270598 ESP Fit Center 6620 is 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-3.531522 ESP Fit Center 6639 is at 1.647747 3.211709 -3.531522 ESP Fit Center 6640 is at 1.267333 3.369282 -3.531522 ESP Fit Center 6641 is at 0.859099 3.423027 -3.531522 ESP Fit Center 6642 is at 0.450865 3.369282 -3.531522 ESP Fit Center 6643 is at 0.070451 3.211709 -3.531522 ESP Fit Center 6644 is at -0.256218 2.961048 -3.531522 ESP Fit Center 6645 is at -0.506879 2.634379 -3.531522 ESP Fit Center 6646 is at -0.664452 2.253965 -3.531522 ESP Fit Center 6647 is at -0.718197 1.845731 -3.531522 ESP Fit Center 6648 is at -0.664452 1.437497 -3.531522 ESP Fit Center 6649 is at 1.647747 0.479752 -3.531522 ESP Fit Center 6650 is at 1.974416 0.730414 -3.531522 ESP Fit Center 6651 is at 2.225078 1.057083 -3.531522 ESP Fit Center 6652 is at 2.382650 1.437497 -3.531522 ESP Fit Center 6653 is at 2.073974 1.845731 -3.740766 ESP Fit Center 6654 is at 2.000708 2.261242 -3.740766 ESP Fit Center 6655 is at 1.789747 2.626637 -3.740766 ESP Fit Center 6656 is at 1.466536 2.897843 -3.740766 ESP Fit Center 6657 is at 1.070060 3.042149 -3.740766 ESP Fit Center 6658 is at 0.648138 3.042149 -3.740766 ESP Fit Center 6659 is at 0.251662 2.897843 -3.740766 ESP Fit Center 6660 is at -0.071549 2.626637 -3.740766 ESP Fit Center 6661 is at -0.282509 2.261242 -3.740766 ESP Fit Center 6662 is at -0.355775 1.845731 -3.740766 ESP Fit Center 6663 is at -0.282509 1.430219 -3.740766 ESP Fit Center 6664 is at -0.071549 1.064825 -3.740766 ESP Fit Center 6665 is at 1.070060 0.649313 -3.740766 ESP Fit Center 6666 is at 1.466536 0.793619 -3.740766 ESP Fit Center 6667 is at 1.789747 1.064825 -3.740766 ESP Fit Center 6668 is at 2.000708 1.430219 -3.740766 ESP Fit Center 6669 is at 1.684414 1.845731 -3.893657 ESP Fit Center 6670 is at 1.573842 2.258388 -3.893657 ESP Fit Center 6671 is at 1.271756 2.560474 -3.893657 ESP Fit Center 6672 is at 0.859099 2.671045 -3.893657 ESP Fit Center 6673 is at 0.446442 2.560474 -3.893657 ESP Fit Center 6674 is at 0.144356 2.258388 -3.893657 ESP Fit Center 6675 is at 0.033785 1.845731 -3.893657 ESP Fit Center 6676 is at 0.144356 1.433074 -3.893657 ESP Fit Center 6677 is at 0.446442 1.130988 -3.893657 ESP Fit Center 6678 is at 0.859099 1.020416 -3.893657 ESP Fit Center 6679 is at 1.271756 1.130988 -3.893657 ESP Fit Center 6680 is at 1.573842 1.433074 -3.893657 ESP Fit Center 6681 is at 1.276417 1.845731 -3.986780 ESP Fit Center 6682 is at 1.067758 2.207139 -3.986780 ESP Fit Center 6683 is at 0.650440 2.207139 -3.986780 ESP Fit Center 6684 is at 0.441781 1.845731 -3.986780 ESP Fit Center 6685 is at 0.650440 1.484323 -3.986780 ESP Fit Center 6686 is at 1.067758 1.484323 -3.986780 ESP Fit Center 6687 is at 0.859099 1.845731 -4.018053 ESP Fit Center 6688 is at 3.599669 2.423352 -2.020670 ESP Fit Center 6689 is at 3.560048 2.838287 -2.020670 ESP Fit Center 6690 is at 3.256162 2.830348 -2.300145 ESP Fit Center 6691 is at 3.656076 2.098193 2.177050 ESP Fit Center 6692 is at 3.583707 2.508617 2.177050 ESP Fit Center 6693 is at 3.998767 2.098193 1.937096 ESP Fit Center 6694 is at 3.941559 2.514406 1.937096 ESP Fit Center 6695 is at 3.774181 2.899750 1.937096 ESP Fit Center 6696 is at 4.294583 2.098193 1.641280 ESP Fit Center 6697 is at 4.245026 2.522182 1.641280 ESP Fit Center 6698 is at 4.099026 2.923313 1.641280 ESP Fit Center 6699 is at 3.864454 3.279962 1.641280 ESP Fit Center 6700 is at 4.245026 1.674204 1.641280 ESP Fit Center 6701 is at 4.534537 2.098193 1.298589 ESP Fit Center 6702 is at 4.491991 2.516584 1.298589 ESP Fit Center 6703 is at 4.366094 2.917846 1.298589 ESP Fit Center 6704 is at 4.162001 3.285552 1.298589 ESP Fit Center 6705 is at 4.491991 1.679802 1.298589 ESP Fit Center 6706 is at 4.711339 2.098193 0.919438 ESP Fit Center 6707 is at 4.670583 2.525004 0.919438 ESP Fit Center 6708 is at 4.549790 2.936389 0.919438 ESP Fit Center 6709 is at 4.353324 3.317480 0.919438 ESP Fit Center 6710 is at 4.670583 1.671382 0.919438 ESP Fit Center 6711 is at 4.819615 2.098193 0.515345 ESP Fit Center 6712 is at 4.781632 2.520219 0.515345 ESP Fit Center 6713 is at 4.668904 2.928681 0.515345 ESP Fit Center 6714 is at 4.485053 3.310450 0.515345 ESP Fit Center 6715 is at 4.781632 1.676167 0.515345 ESP Fit Center 6716 is at 4.856076 2.098193 0.098589 ESP Fit Center 6717 is at 4.819615 2.514949 0.098589 ESP Fit Center 6718 is at 4.711339 2.919041 0.098589 ESP Fit Center 6719 is at 4.534537 3.298193 0.098589 ESP Fit Center 6720 is at 4.819615 1.681437 0.098589 ESP Fit Center 6721 is at 4.819615 2.098193 -0.318166 ESP Fit Center 6722 is at 4.781632 2.520219 -0.318166 ESP Fit Center 6723 is at 4.668904 2.928681 -0.318166 ESP Fit Center 6724 is at 4.485053 3.310450 -0.318166 ESP Fit Center 6725 is at 4.781632 1.676167 -0.318166 ESP Fit Center 6726 is at 4.711339 2.098193 -0.722259 ESP Fit Center 6727 is at 4.670583 2.525004 -0.722259 ESP Fit Center 6728 is at 4.549790 2.936389 -0.722259 ESP Fit Center 6729 is at 4.353324 3.317480 -0.722259 ESP Fit Center 6730 is at 4.670583 1.671382 -0.722259 ESP Fit Center 6731 is at 4.534537 2.098193 -1.101411 ESP Fit Center 6732 is at 4.491991 2.516584 -1.101411 ESP Fit Center 6733 is at 4.366094 2.917846 -1.101411 ESP Fit Center 6734 is at 4.162001 3.285552 -1.101411 ESP Fit Center 6735 is at 4.491991 1.679802 -1.101411 ESP Fit Center 6736 is at 4.294583 2.098193 -1.444101 ESP Fit Center 6737 is at 4.245026 2.522182 -1.444101 ESP Fit Center 6738 is at 4.099026 2.923313 -1.444101 ESP Fit Center 6739 is at 4.245026 1.674204 -1.444101 ESP Fit Center 6740 is at 3.998767 2.098193 -1.739917 ESP Fit Center 6741 is at 3.941559 2.514406 -1.739917 ESP Fit Center 6742 is at 3.941559 1.681980 -1.739917 ESP Fit Center 6743 is at 3.656076 2.098193 -1.979872 ESP Fit Center 6744 is at 3.583707 1.687769 -1.979872 ESP Fit Center 6745 is at -0.108722 4.583044 2.660567 ESP Fit Center 6746 is at -0.223251 4.174285 2.660567 ESP Fit Center 6747 is at -0.053518 5.264032 2.424443 ESP Fit Center 6748 is at -0.301274 4.938115 2.424443 ESP Fit Center 6749 is at -0.473175 4.566557 2.424443 ESP Fit Center 6750 is at -0.561183 4.166733 2.424443 ESP Fit Center 6751 is at 0.224729 5.860803 2.144968 ESP Fit Center 6752 is at -0.114804 5.619022 2.144968 ESP Fit Center 6753 is at -0.402445 5.317354 2.144968 ESP Fit Center 6754 is at 0.603301 6.305514 1.827350 ESP Fit Center 6755 is at 0.217574 6.150516 1.827350 ESP Fit Center 6756 is at -0.136409 5.932560 1.827350 ESP Fit Center 6757 is at 0.904295 6.592897 1.477504 ESP Fit Center 6758 is at 0.497868 6.495322 1.477504 ESP Fit Center 6759 is at 0.111708 6.335370 1.477504 ESP Fit Center 6760 is at 4.147766 3.962035 1.101948 ESP Fit Center 6761 is at 2.035971 6.696901 1.101948 ESP Fit Center 6762 is at 1.630151 6.771860 1.101948 ESP Fit Center 6763 is at 1.217743 6.786932 1.101948 ESP Fit Center 6764 is at 0.807535 6.741796 1.101948 ESP Fit Center 6765 is at 0.408270 6.637415 1.101948 ESP Fit Center 6766 is at 0.028458 6.476012 1.101948 ESP Fit Center 6767 is at 4.117642 3.550452 1.101948 ESP Fit Center 6768 is at 4.258235 3.962035 0.707677 ESP Fit Center 6769 is at 4.229650 4.370822 0.707677 ESP Fit Center 6770 is at 4.144451 4.771652 0.707677 ESP Fit Center 6771 is at 4.004296 5.156723 0.707677 ESP Fit Center 6772 is at 3.811914 5.518542 0.707677 ESP Fit Center 6773 is at 3.571049 5.850065 0.707677 ESP Fit Center 6774 is at 3.286388 6.144839 0.707677 ESP Fit Center 6775 is at 2.963473 6.397128 0.707677 ESP Fit Center 6776 is at 2.608589 6.602020 0.707677 ESP Fit Center 6777 is at 2.228644 6.755528 0.707677 ESP Fit Center 6778 is at 1.831031 6.854664 0.707677 ESP Fit Center 6779 is at 1.423491 6.897498 0.707677 ESP Fit Center 6780 is at 1.013956 6.883197 0.707677 ESP Fit Center 6781 is at 0.610397 6.812039 0.707677 ESP Fit Center 6782 is at 0.220669 6.685408 0.707677 ESP Fit Center 6783 is at 4.313989 3.962035 0.302036 ESP Fit Center 6784 is at 4.284861 4.378581 0.302036 ESP Fit Center 6785 is at 4.198045 4.787020 0.302036 ESP Fit Center 6786 is at 4.055230 5.179401 0.302036 ESP Fit Center 6787 is at 3.859196 5.548087 0.302036 ESP Fit Center 6788 is at 3.613759 5.885903 0.302036 ESP Fit Center 6789 is at 3.323695 6.186272 0.302036 ESP Fit Center 6790 is at 2.994651 6.443350 0.302036 ESP Fit Center 6791 is at 2.633030 6.652131 0.302036 ESP Fit Center 6792 is at 2.245873 6.808553 0.302036 ESP Fit Center 6793 is at 1.840713 6.909571 0.302036 ESP Fit Center 6794 is at 1.425437 6.953218 0.302036 ESP Fit Center 6795 is at 1.008129 6.938646 0.302036 ESP Fit Center 6796 is at 0.596909 6.866136 0.302036 ESP Fit Center 6797 is at 0.199783 6.737102 0.302036 ESP Fit Center 6798 is at 4.313989 3.962035 -0.107418 ESP Fit Center 6799 is at 4.284861 4.378581 -0.107418 ESP Fit Center 6800 is at 4.198045 4.787020 -0.107418 ESP Fit Center 6801 is at 2.994651 6.443350 -0.107418 ESP Fit Center 6802 is at 2.633030 6.652131 -0.107418 ESP Fit Center 6803 is at 2.245873 6.808553 -0.107418 ESP Fit Center 6804 is at 1.840713 6.909571 -0.107418 ESP Fit Center 6805 is at 1.425437 6.953218 -0.107418 ESP Fit Center 6806 is at 1.008129 6.938646 -0.107418 ESP Fit Center 6807 is at 0.596909 6.866136 -0.107418 ESP Fit Center 6808 is at 0.199783 6.737102 -0.107418 ESP Fit Center 6809 is at 4.258235 3.962035 -0.513059 ESP Fit Center 6810 is at 1.831031 6.854664 -0.513059 ESP Fit Center 6811 is at 1.423491 6.897498 -0.513059 ESP Fit Center 6812 is at 1.013956 6.883197 -0.513059 ESP Fit Center 6813 is at 0.610397 6.812039 -0.513059 ESP Fit Center 6814 is at 0.220669 6.685408 -0.513059 ESP Fit Center 6815 is at 1.217743 6.786932 -0.907330 ESP Fit Center 6816 is at 0.807535 6.741796 -0.907330 ESP Fit Center 6817 is at 0.408270 6.637415 -0.907330 ESP Fit Center 6818 is at 0.028458 6.476012 -0.907330 ESP Fit Center 6819 is at 0.904295 6.592897 -1.282886 ESP Fit Center 6820 is at 0.497868 6.495322 -1.282886 ESP Fit Center 6821 is at 0.111708 6.335370 -1.282886 ESP Fit Center 6822 is at 0.603301 6.305514 -1.632732 ESP Fit Center 6823 is at 0.217574 6.150516 -1.632732 ESP Fit Center 6824 is at 0.603884 6.033957 -1.950351 ESP Fit Center 6825 is at 0.224729 5.860803 -1.950351 ESP Fit Center 6826 is at -0.114804 5.619022 -1.950351 ESP Fit Center 6827 is at 0.258508 5.529069 -2.229825 ESP Fit Center 6828 is at -0.053518 5.264032 -2.229825 ESP Fit Center 6829 is at -0.301274 4.938115 -2.229825 ESP Fit Center 6830 is at -0.561183 4.166733 -2.229825 ESP Fit Center 6831 is at 0.422081 5.235489 -2.465949 ESP Fit Center 6832 is at 0.111841 4.945745 -2.465949 ESP Fit Center 6833 is at -0.108722 4.583044 -2.465949 ESP Fit Center 6834 is at -0.223251 4.174285 -2.465949 ESP Fit Center 6835 is at 0.405404 4.730297 -2.654325 ESP Fit Center 6836 is at 0.197859 4.370819 -2.654325 ESP Fit Center 6837 is at 0.620030 4.366730 -2.791443 ESP Fit Center 6838 is at 1.286633 -0.405241 3.489653 ESP Fit Center 6839 is at 1.582891 -0.108984 3.489653 ESP Fit Center 6840 is at 2.005062 -0.113072 3.352535 ESP Fit Center 6841 is at 0.436938 -0.535030 3.562137 ESP Fit Center 6842 is at 0.853694 -0.535030 3.525675 ESP Fit Center 6843 is at 0.228561 -0.174109 3.525675 ESP Fit Center 6844 is at 0.020183 -0.535030 3.525675 ESP Fit Center 6845 is at 0.228561 -0.895951 3.525675 ESP Fit Center 6846 is at 0.645316 -0.895951 3.525675 ESP Fit Center 6847 is at -0.273937 -0.124606 3.417399 ESP Fit Center 6848 is at -0.383910 -0.535030 3.417399 ESP Fit Center 6849 is at -0.273937 -0.945454 3.417399 ESP Fit Center 6850 is at 0.026514 -1.245906 3.417399 ESP Fit Center 6851 is at 0.436938 -1.355878 3.417399 ESP Fit Center 6852 is at -0.690693 -0.124606 3.240598 ESP Fit Center 6853 is at -0.763062 -0.535030 3.240598 ESP Fit Center 6854 is at -0.690693 -0.945454 3.240598 ESP Fit Center 6855 is at -0.482315 -1.306375 3.240598 ESP Fit Center 6856 is at -0.163062 -1.574261 3.240598 ESP Fit Center 6857 is at 0.228561 -1.716799 3.240598 ESP Fit Center 6858 is at -0.978035 -1.149640 3.000644 ESP Fit Center 6859 is at -0.759744 -1.508603 3.000644 ESP Fit Center 6860 is at -0.452701 -1.795362 3.000644 ESP Fit Center 6861 is at -0.824721 -1.872311 2.704827 ESP Fit Center 6862 is at -0.482315 -2.127224 2.704827 ESP Fit Center 6863 is at -0.547237 1.697484 3.918800 ESP Fit Center 6864 is at -0.475157 1.288700 3.918800 ESP Fit Center 6865 is at -0.267612 0.929222 3.918800 ESP Fit Center 6866 is at -0.561175 2.681193 3.730424 ESP Fit Center 6867 is at -0.781738 2.318492 3.730424 ESP Fit Center 6868 is at -0.896267 1.909734 3.730424 ESP Fit Center 6869 is at -0.896267 1.485234 3.730424 ESP Fit Center 6870 is at -0.781738 1.076476 3.730424 ESP Fit Center 6871 is at -0.561175 0.713774 3.730424 ESP Fit Center 6872 is at -0.250935 0.424031 3.730424 ESP Fit Center 6873 is at 0.125972 0.228733 3.730424 ESP Fit Center 6874 is at 0.541594 0.142366 3.730424 ESP Fit Center 6875 is at -0.414509 3.264518 3.494300 ESP Fit Center 6876 is at -0.726534 2.999480 3.494300 ESP Fit Center 6877 is at -0.974290 2.673563 3.494300 ESP Fit Center 6878 is at -1.146191 2.302006 3.494300 ESP Fit Center 6879 is at -1.234199 1.902182 3.494300 ESP Fit Center 6880 is at -1.234199 1.492786 3.494300 ESP Fit Center 6881 is at -1.146191 1.092962 3.494300 ESP Fit Center 6882 is at -0.974290 0.721405 3.494300 ESP Fit Center 6883 is at -0.726534 0.395487 3.494300 ESP Fit Center 6884 is at -0.414509 0.130450 3.494300 ESP Fit Center 6885 is at -0.052803 -0.061314 3.494300 ESP Fit Center 6886 is at -0.069133 3.769406 3.214826 ESP Fit Center 6887 is at -0.448287 3.596252 3.214826 ESP Fit Center 6888 is at -0.787821 3.354471 3.214826 ESP Fit Center 6889 is at -1.455729 1.079783 3.214826 ESP Fit Center 6890 is at -1.300812 0.692819 3.214826 ESP Fit Center 6891 is at -1.075461 0.342166 3.214826 ESP Fit Center 6892 is at -0.787821 0.040497 3.214826 ESP Fit Center 6893 is at -0.069716 4.040962 2.897207 ESP Fit Center 6894 is at -0.455442 3.885965 2.897207 ESP Fit Center 6895 is at -0.809426 3.668008 2.897207 ESP Fit Center 6896 is at -0.561308 4.070819 2.547361 ESP Fit Center 6897 is at -1.333182 2.727374 3.268048 ESP Fit Center 6898 is at -1.541560 2.366453 3.268048 ESP Fit Center 6899 is at -1.613929 1.956028 3.268048 ESP Fit Center 6900 is at -1.541560 1.545604 3.268048 ESP Fit Center 6901 is at -1.303568 3.216360 3.028094 ESP Fit Center 6902 is at -1.610611 2.929602 3.028094 ESP Fit Center 6903 is at -1.828902 2.570638 3.028094 ESP Fit Center 6904 is at -1.942251 2.166091 3.028094 ESP Fit Center 6905 is at -1.942251 1.745965 3.028094 ESP Fit Center 6906 is at -1.828902 1.341419 3.028094 ESP Fit Center 6907 is at -1.610611 0.982455 3.028094 ESP Fit Center 6908 is at -0.941219 3.717299 2.732277 ESP Fit Center 6909 is at -1.333182 3.548222 2.732277 ESP Fit Center 6910 is at -1.675589 3.293310 2.732277 ESP Fit Center 6911 is at -1.949979 2.966304 2.732277 ESP Fit Center 6912 is at -2.141560 2.584835 2.732277 ESP Fit Center 6913 is at -2.240004 2.169466 2.732277 ESP Fit Center 6914 is at -0.934900 3.968139 2.389587 ESP Fit Center 6915 is at -1.329271 3.822080 2.389587 ESP Fit Center 6916 is at -1.686167 3.599625 2.389587 ESP Fit Center 6917 is at -1.990978 3.309881 2.389587 ESP Fit Center 6918 is at -2.231224 2.964710 2.389587 ESP Fit Center 6919 is at -2.397070 2.578243 2.389587 ESP Fit Center 6920 is at -1.151553 4.087253 2.010435 ESP Fit Center 6921 is at -1.541560 3.909143 2.010435 ESP Fit Center 6922 is at -1.890812 3.660442 2.010435 ESP Fit Center 6923 is at -2.186685 3.350139 2.010435 ESP Fit Center 6924 is at -2.418486 2.989449 2.010435 ESP Fit Center 6925 is at -2.577837 2.591409 2.010435 ESP Fit Center 6926 is at -1.715995 3.928575 1.606343 ESP Fit Center 6927 is at -2.047282 3.664382 1.606343 ESP Fit Center 6928 is at -2.326072 3.345282 1.606343 ESP Fit Center 6929 is at -2.543404 2.981529 1.606343 ESP Fit Center 6930 is at -1.956619 3.794535 1.189587 ESP Fit Center 6931 is at -2.252436 3.498719 1.189587 ESP Fit Center 6932 is at -2.492390 3.156028 1.189587 ESP Fit Center 6933 is at -2.047282 3.664382 0.772831 ESP Fit Center 6934 is at -2.326072 3.345282 0.772831 ESP Fit Center 6935 is at 1.077887 1.872776 4.555345 ESP Fit Center 6936 is at 1.494643 1.872776 4.518883 ESP Fit Center 6937 is at 1.286265 2.233697 4.518883 ESP Fit Center 6938 is at 0.869509 2.233697 4.518883 ESP Fit Center 6939 is at 0.661131 1.872776 4.518883 ESP Fit Center 6940 is at 0.869509 1.511855 4.518883 ESP Fit Center 6941 is at 1.286265 1.511855 4.518883 ESP Fit Center 6942 is at 1.898735 1.872776 4.410607 ESP Fit Center 6943 is at 1.788763 2.283201 4.410607 ESP Fit Center 6944 is at 1.488311 2.583652 4.410607 ESP Fit Center 6945 is at 1.077887 2.693625 4.410607 ESP Fit Center 6946 is at 0.667463 2.583652 4.410607 ESP Fit Center 6947 is at 0.367012 2.283201 4.410607 ESP Fit Center 6948 is at 0.257039 1.872776 4.410607 ESP Fit Center 6949 is at 0.367012 1.462352 4.410607 ESP Fit Center 6950 is at 0.667463 1.161901 4.410607 ESP Fit Center 6951 is at 1.077887 1.051928 4.410607 ESP Fit Center 6952 is at 1.488311 1.161901 4.410607 ESP Fit Center 6953 is at 1.788763 1.462352 4.410607 ESP Fit Center 6954 is at 2.277887 1.872776 4.233806 ESP Fit Center 6955 is at 2.205518 2.283201 4.233806 ESP Fit Center 6956 is at 1.997140 2.644122 4.233806 ESP Fit Center 6957 is at 1.677887 2.912007 4.233806 ESP Fit Center 6958 is at 1.286265 3.054546 4.233806 ESP Fit Center 6959 is at 0.869509 3.054546 4.233806 ESP Fit Center 6960 is at 0.477887 2.912007 4.233806 ESP Fit Center 6961 is at 0.158634 2.644122 4.233806 ESP Fit Center 6962 is at -0.049744 2.283201 4.233806 ESP Fit Center 6963 is at -0.122113 1.872776 4.233806 ESP Fit Center 6964 is at -0.049744 1.462352 4.233806 ESP Fit Center 6965 is at 0.158634 1.101431 4.233806 ESP Fit Center 6966 is at 0.477887 0.833546 4.233806 ESP Fit Center 6967 is at 0.869509 0.691007 4.233806 ESP Fit Center 6968 is at 1.286265 0.691007 4.233806 ESP Fit Center 6969 is at 1.677887 0.833546 4.233806 ESP Fit Center 6970 is at 1.997140 1.101431 4.233806 ESP Fit Center 6971 is at 2.205518 1.462352 4.233806 ESP Fit Center 6972 is at 2.620577 1.872776 3.993852 ESP Fit Center 6973 is at 2.563370 2.288989 3.993852 ESP Fit Center 6974 is at 2.395992 2.674333 3.993852 ESP Fit Center 6975 is at 2.130855 3.000230 3.993852 ESP Fit Center 6976 is at 1.787625 3.242508 3.993852 ESP Fit Center 6977 is at 1.391757 3.383200 3.993852 ESP Fit Center 6978 is at 0.972610 3.411870 3.993852 ESP Fit Center 6979 is at 0.561272 3.326393 3.993852 ESP Fit Center 6980 is at 0.188248 3.133108 3.993852 ESP Fit Center 6981 is at -0.118795 2.846350 3.993852 ESP Fit Center 6982 is at -0.337086 2.487386 3.993852 ESP Fit Center 6983 is at -0.450435 2.082839 3.993852 ESP Fit Center 6984 is at -0.450435 1.662713 3.993852 ESP Fit Center 6985 is at -0.337086 1.258167 3.993852 ESP Fit Center 6986 is at -0.118795 0.899203 3.993852 ESP Fit Center 6987 is at 0.188248 0.612445 3.993852 ESP Fit Center 6988 is at 0.561272 0.419160 3.993852 ESP Fit Center 6989 is at 0.972610 0.333682 3.993852 ESP Fit Center 6990 is at 1.391757 0.362353 3.993852 ESP Fit Center 6991 is at 1.787625 0.503044 3.993852 ESP Fit Center 6992 is at 2.130855 0.745323 3.993852 ESP Fit Center 6993 is at 2.395992 1.071219 3.993852 ESP Fit Center 6994 is at 2.563370 1.456564 3.993852 ESP Fit Center 6995 is at 2.916394 1.872776 3.698035 ESP Fit Center 6996 is at 2.866837 2.296765 3.698035 ESP Fit Center 6997 is at 2.720837 2.697897 3.698035 ESP Fit Center 6998 is at 2.486265 3.054546 3.698035 ESP Fit Center 6999 is at 2.175767 3.347485 3.698035 ESP Fit Center 7000 is at 1.806082 3.560923 3.698035 ESP Fit Center 7001 is at 1.397140 3.683352 3.698035 ESP Fit Center 7002 is at 0.970987 3.708173 3.698035 ESP Fit Center 7003 is at 0.550597 3.634046 3.698035 ESP Fit Center 7004 is at 0.158634 3.464970 3.698035 ESP Fit Center 7005 is at -0.183773 3.210058 3.698035 ESP Fit Center 7006 is at -0.458163 2.883052 3.698035 ESP Fit Center 7007 is at 0.970987 0.037380 3.698035 ESP Fit Center 7008 is at 1.397140 0.062201 3.698035 ESP Fit Center 7009 is at 1.806082 0.184630 3.698035 ESP Fit Center 7010 is at 2.175767 0.398068 3.698035 ESP Fit Center 7011 is at 2.486265 0.691007 3.698035 ESP Fit Center 7012 is at 2.720837 1.047656 3.698035 ESP Fit Center 7013 is at 2.866837 1.448788 3.698035 ESP Fit Center 7014 is at 3.156348 1.872776 3.355345 ESP Fit Center 7015 is at 3.113802 2.291167 3.355345 ESP Fit Center 7016 is at 2.987905 2.692430 3.355345 ESP Fit Center 7017 is at 2.783812 3.060135 3.355345 ESP Fit Center 7018 is at 2.509878 3.379230 3.355345 ESP Fit Center 7019 is at 2.177318 3.636650 3.355345 ESP Fit Center 7020 is at 0.972615 3.948570 3.355345 ESP Fit Center 7021 is at 0.556916 3.884887 3.355345 ESP Fit Center 7022 is at 0.162545 3.738828 3.355345 ESP Fit Center 7023 is at 2.177318 0.108902 3.355345 ESP Fit Center 7024 is at 2.509878 0.366323 3.355345 ESP Fit Center 7025 is at 2.783812 0.685418 3.355345 ESP Fit Center 7026 is at 2.987905 1.053123 3.355345 ESP Fit Center 7027 is at 3.113802 1.454385 3.355345 ESP Fit Center 7028 is at 3.333149 1.872776 2.976193 ESP Fit Center 7029 is at 3.292394 2.299588 2.976193 ESP Fit Center 7030 is at 3.171600 2.710973 2.976193 ESP Fit Center 7031 is at 2.975134 3.092063 2.976193 ESP Fit Center 7032 is at 3.171600 1.034580 2.976193 ESP Fit Center 7033 is at 3.292394 1.445965 2.976193 ESP Fit Center 7034 is at 3.441426 1.872776 2.572100 ESP Fit Center 7035 is at 3.403443 2.294802 2.572100 ESP Fit Center 7036 is at 3.290714 2.703264 2.572100 ESP Fit Center 7037 is at 2.213396 0.059352 3.293509 ESP Fit Center 7038 is at 2.630714 0.059352 3.262235 ESP Fit Center 7039 is at 2.928139 0.472009 3.169113 ESP Fit Center 7040 is at 3.355004 0.474863 3.016222 ESP Fit Center 7041 is at 3.144043 0.840258 3.016222 ESP Fit Center 7042 is at 3.736947 0.467586 2.806977 ESP Fit Center 7043 is at 3.579374 0.848000 2.806977 ESP Fit Center 7044 is at 3.328712 1.174668 2.806977 ESP Fit Center 7045 is at 3.941858 0.859024 2.546054 ESP Fit Center 7046 is at 3.729542 1.211896 2.546054 ESP Fit Center 7047 is at 3.446332 1.510877 2.546054 ESP Fit Center 7048 is at 4.245712 0.872968 2.239280 ESP Fit Center 7049 is at 4.055007 1.242884 2.239280 ESP Fit Center 7050 is at 3.797742 1.570023 2.239280 ESP Fit Center 7051 is at 4.330342 1.241949 1.893509 ESP Fit Center 7052 is at 4.100032 1.582704 1.893509 ESP Fit Center 7053 is at 4.535756 1.242654 1.516464 ESP Fit Center 7054 is at 4.659747 1.270617 1.116567 ESP Fit Center 7055 is at 1.746136 4.314210 3.450805 ESP Fit Center 7056 is at 2.162891 4.314210 3.414344 ESP Fit Center 7057 is at 1.954514 4.675131 3.414344 ESP Fit Center 7058 is at 1.537758 4.675131 3.414344 ESP Fit Center 7059 is at 1.329380 4.314210 3.414344 ESP Fit Center 7060 is at 1.537758 3.953289 3.414344 ESP Fit Center 7061 is at 1.954514 3.953289 3.414344 ESP Fit Center 7062 is at 2.566984 4.314210 3.306067 ESP Fit Center 7063 is at 2.457011 4.724634 3.306067 ESP Fit Center 7064 is at 2.156560 5.025086 3.306067 ESP Fit Center 7065 is at 1.746136 5.135058 3.306067 ESP Fit Center 7066 is at 1.335712 5.025086 3.306067 ESP Fit Center 7067 is at 1.035260 4.724634 3.306067 ESP Fit Center 7068 is at 0.925287 4.314210 3.306067 ESP Fit Center 7069 is at 2.457011 3.903786 3.306067 ESP Fit Center 7070 is at 2.946136 4.314210 3.129266 ESP Fit Center 7071 is at 2.873767 4.724634 3.129266 ESP Fit Center 7072 is at 2.665389 5.085555 3.129266 ESP Fit Center 7073 is at 2.346136 5.353441 3.129266 ESP Fit Center 7074 is at 1.954514 5.495979 3.129266 ESP Fit Center 7075 is at 1.537758 5.495979 3.129266 ESP Fit Center 7076 is at 1.146136 5.353441 3.129266 ESP Fit Center 7077 is at 0.826882 5.085555 3.129266 ESP Fit Center 7078 is at 0.618505 4.724634 3.129266 ESP Fit Center 7079 is at 0.546136 4.314210 3.129266 ESP Fit Center 7080 is at 2.665389 3.542865 3.129266 ESP Fit Center 7081 is at 2.873767 3.903786 3.129266 ESP Fit Center 7082 is at 3.288826 4.314210 2.889312 ESP Fit Center 7083 is at 3.231619 4.730423 2.889312 ESP Fit Center 7084 is at 3.064240 5.115767 2.889312 ESP Fit Center 7085 is at 2.799104 5.441664 2.889312 ESP Fit Center 7086 is at 2.455874 5.683942 2.889312 ESP Fit Center 7087 is at 2.060005 5.824634 2.889312 ESP Fit Center 7088 is at 1.640859 5.853304 2.889312 ESP Fit Center 7089 is at 1.229520 5.767827 2.889312 ESP Fit Center 7090 is at 0.856497 5.574542 2.889312 ESP Fit Center 7091 is at 0.549454 5.287783 2.889312 ESP Fit Center 7092 is at 0.331163 4.928820 2.889312 ESP Fit Center 7093 is at 0.217814 4.524273 2.889312 ESP Fit Center 7094 is at 3.064240 3.512653 2.889312 ESP Fit Center 7095 is at 3.231619 3.897997 2.889312 ESP Fit Center 7096 is at 3.584642 4.314210 2.593495 ESP Fit Center 7097 is at 3.535085 4.738199 2.593495 ESP Fit Center 7098 is at 3.389085 5.139330 2.593495 ESP Fit Center 7099 is at 3.154514 5.495979 2.593495 ESP Fit Center 7100 is at 2.844016 5.788919 2.593495 ESP Fit Center 7101 is at 2.474331 6.002356 2.593495 ESP Fit Center 7102 is at 2.065389 6.124786 2.593495 ESP Fit Center 7103 is at 1.639236 6.149606 2.593495 ESP Fit Center 7104 is at 1.218846 6.075480 2.593495 ESP Fit Center 7105 is at 0.826882 5.906404 2.593495 ESP Fit Center 7106 is at 0.484476 5.651491 2.593495 ESP Fit Center 7107 is at 0.210086 5.324486 2.593495 ESP Fit Center 7108 is at 3.154514 3.132441 2.593495 ESP Fit Center 7109 is at 3.389085 3.489090 2.593495 ESP Fit Center 7110 is at 3.535085 3.890221 2.593495 ESP Fit Center 7111 is at 3.824597 4.314210 2.250805 ESP Fit Center 7112 is at 3.782051 4.732601 2.250805 ESP Fit Center 7113 is at 3.656154 5.133863 2.250805 ESP Fit Center 7114 is at 3.452061 5.501569 2.250805 ESP Fit Center 7115 is at 3.178127 5.820664 2.250805 ESP Fit Center 7116 is at 2.845567 6.078084 2.250805 ESP Fit Center 7117 is at 2.467996 6.263291 2.250805 ESP Fit Center 7118 is at 2.060873 6.368703 2.250805 ESP Fit Center 7119 is at 1.640863 6.390003 2.250805 ESP Fit Center 7120 is at 1.225164 6.326321 2.250805 ESP Fit Center 7121 is at 0.830794 6.180262 2.250805 ESP Fit Center 7122 is at 0.473897 5.957807 2.250805 ESP Fit Center 7123 is at 3.452061 3.126851 2.250805 ESP Fit Center 7124 is at 3.656154 3.494557 2.250805 ESP Fit Center 7125 is at 3.782051 3.895819 2.250805 ESP Fit Center 7126 is at 4.001398 4.314210 1.871653 ESP Fit Center 7127 is at 3.960643 4.741021 1.871653 ESP Fit Center 7128 is at 3.839849 5.152406 1.871653 ESP Fit Center 7129 is at 3.643383 5.533497 1.871653 ESP Fit Center 7130 is at 3.378346 5.870519 1.871653 ESP Fit Center 7131 is at 3.054316 6.151292 1.871653 ESP Fit Center 7132 is at 2.683006 6.365669 1.871653 ESP Fit Center 7133 is at 2.277834 6.505900 1.871653 ESP Fit Center 7134 is at 1.853446 6.566918 1.871653 ESP Fit Center 7135 is at 1.425179 6.546517 1.871653 ESP Fit Center 7136 is at 1.008512 6.445435 1.871653 ESP Fit Center 7137 is at 3.839849 3.476014 1.871653 ESP Fit Center 7138 is at 3.960643 3.887399 1.871653 ESP Fit Center 7139 is at 4.109674 4.314210 1.467561 ESP Fit Center 7140 is at 4.071691 4.736236 1.467561 ESP Fit Center 7141 is at 3.958963 5.144698 1.467561 ESP Fit Center 7142 is at 3.775113 5.526467 1.467561 ESP Fit Center 7143 is at 3.526049 5.869274 1.467561 ESP Fit Center 7144 is at 3.219778 6.162099 1.467561 ESP Fit Center 7145 is at 2.866143 6.395532 1.467561 ESP Fit Center 7146 is at 2.476509 6.562069 1.467561 ESP Fit Center 7147 is at 2.063401 6.656358 1.467561 ESP Fit Center 7148 is at 1.640096 6.675369 1.467561 ESP Fit Center 7149 is at 3.958963 3.483722 1.467561 ESP Fit Center 7150 is at 4.071691 3.892184 1.467561 ESP Fit Center 7151 is at 4.146136 4.314210 1.050805 ESP Fit Center 7152 is at 4.109674 4.730966 1.050805 ESP Fit Center 7153 is at 4.001398 5.135058 1.050805 ESP Fit Center 7154 is at 3.824597 5.514210 1.050805 ESP Fit Center 7155 is at 3.584642 5.856900 1.050805 ESP Fit Center 7156 is at 3.288826 6.152717 1.050805 ESP Fit Center 7157 is at 2.946136 6.392671 1.050805 ESP Fit Center 7158 is at 2.566984 6.569472 1.050805 ESP Fit Center 7159 is at -0.652713 5.041993 2.110700 ESP Fit Center 7160 is at -0.861091 4.681072 2.110700 ESP Fit Center 7161 is at -0.933460 4.270648 2.110700 ESP Fit Center 7162 is at -0.623099 5.530979 1.870745 ESP Fit Center 7163 is at -0.930142 5.244221 1.870745 ESP Fit Center 7164 is at -1.148433 4.885257 1.870745 ESP Fit Center 7165 is at -1.261781 4.480710 1.870745 ESP Fit Center 7166 is at -0.652713 5.862841 1.574929 ESP Fit Center 7167 is at -0.995120 5.607929 1.574929 ESP Fit Center 7168 is at -1.269510 5.280923 1.574929 ESP Fit Center 7169 is at -1.461091 4.899454 1.574929 ESP Fit Center 7170 is at -1.559535 4.484085 1.574929 ESP Fit Center 7171 is at -1.559535 4.057210 1.574929 ESP Fit Center 7172 is at -0.254431 6.282758 1.232239 ESP Fit Center 7173 is at -0.648802 6.136699 1.232239 ESP Fit Center 7174 is at -1.005698 5.914244 1.232239 ESP Fit Center 7175 is at -1.310509 5.624500 1.232239 ESP Fit Center 7176 is at -1.550755 5.279329 1.232239 ESP Fit Center 7177 is at -1.716601 4.892862 1.232239 ESP Fit Center 7178 is at -1.801257 4.480922 1.232239 ESP Fit Center 7179 is at -1.801257 4.060373 1.232239 ESP Fit Center 7180 is at -0.471084 6.401872 0.853087 ESP Fit Center 7181 is at -0.861091 6.223762 0.853087 ESP Fit Center 7182 is at -1.210343 5.975061 0.853087 ESP Fit Center 7183 is at -1.506216 5.664758 0.853087 ESP Fit Center 7184 is at -1.738017 5.304069 0.853087 ESP Fit Center 7185 is at -1.897368 4.906028 0.853087 ESP Fit Center 7186 is at -1.978510 4.485024 0.853087 ESP Fit Center 7187 is at -1.978510 4.056271 0.853087 ESP Fit Center 7188 is at -0.259397 6.574927 0.448994 ESP Fit Center 7189 is at -0.662390 6.443987 0.448994 ESP Fit Center 7190 is at -1.035526 6.243194 0.448994 ESP Fit Center 7191 is at -1.366813 5.979001 0.448994 ESP Fit Center 7192 is at -1.645603 5.659901 0.448994 ESP Fit Center 7193 is at -1.862935 5.296148 0.448994 ESP Fit Center 7194 is at -2.011823 4.899436 0.448994 ESP Fit Center 7195 is at -2.087484 4.482513 0.448994 ESP Fit Center 7196 is at -2.087484 4.058782 0.448994 ESP Fit Center 7197 is at -2.011823 3.641859 0.448994 ESP Fit Center 7198 is at -0.150215 6.634186 0.032239 ESP Fit Center 7199 is at -0.554308 6.525910 0.032239 ESP Fit Center 7200 is at -0.933460 6.349108 0.032239 ESP Fit Center 7201 is at -1.276150 6.109154 0.032239 ESP Fit Center 7202 is at -1.571966 5.813338 0.032239 ESP Fit Center 7203 is at -1.811921 5.470648 0.032239 ESP Fit Center 7204 is at -1.988722 5.091496 0.032239 ESP Fit Center 7205 is at -2.096998 4.687403 0.032239 ESP Fit Center 7206 is at -2.133460 4.270648 0.032239 ESP Fit Center 7207 is at -2.096998 3.853892 0.032239 ESP Fit Center 7208 is at -0.259397 6.574927 -0.384517 ESP Fit Center 7209 is at -0.662390 6.443987 -0.384517 ESP Fit Center 7210 is at -1.035526 6.243194 -0.384517 ESP Fit Center 7211 is at -1.366813 5.979001 -0.384517 ESP Fit Center 7212 is at -1.645603 5.659901 -0.384517 ESP Fit Center 7213 is at -1.862935 5.296148 -0.384517 ESP Fit Center 7214 is at -2.011823 4.899436 -0.384517 ESP Fit Center 7215 is at -2.087484 4.482513 -0.384517 ESP Fit Center 7216 is at -2.087484 4.058782 -0.384517 ESP Fit Center 7217 is at -0.054417 6.502954 -0.788610 ESP Fit Center 7218 is at -0.471084 6.401872 -0.788610 ESP Fit Center 7219 is at -0.861091 6.223762 -0.788610 ESP Fit Center 7220 is at -1.210343 5.975061 -0.788610 ESP Fit Center 7221 is at -1.506216 5.664758 -0.788610 ESP Fit Center 7222 is at -1.738017 5.304069 -0.788610 ESP Fit Center 7223 is at -1.897368 4.906028 -0.788610 ESP Fit Center 7224 is at -1.978510 4.485024 -0.788610 ESP Fit Center 7225 is at -1.978510 4.056271 -0.788610 ESP Fit Center 7226 is at -0.254431 6.282758 -1.167761 ESP Fit Center 7227 is at -0.648802 6.136699 -1.167761 ESP Fit Center 7228 is at -1.005698 5.914244 -1.167761 ESP Fit Center 7229 is at -1.310509 5.624500 -1.167761 ESP Fit Center 7230 is at -1.550755 5.279329 -1.167761 ESP Fit Center 7231 is at -1.716601 4.892862 -1.167761 ESP Fit Center 7232 is at -1.801257 4.480922 -1.167761 ESP Fit Center 7233 is at -1.801257 4.060373 -1.167761 ESP Fit Center 7234 is at -0.260749 6.031918 -1.510451 ESP Fit Center 7235 is at -0.652713 5.862841 -1.510451 ESP Fit Center 7236 is at -0.995120 5.607929 -1.510451 ESP Fit Center 7237 is at -1.269510 5.280923 -1.510451 ESP Fit Center 7238 is at -1.461091 4.899454 -1.510451 ESP Fit Center 7239 is at -1.559535 4.484085 -1.510451 ESP Fit Center 7240 is at -1.559535 4.057210 -1.510451 ESP Fit Center 7241 is at -0.250075 5.724264 -1.806268 ESP Fit Center 7242 is at -0.623099 5.530979 -1.806268 ESP Fit Center 7243 is at -0.930142 5.244221 -1.806268 ESP Fit Center 7244 is at -1.148433 4.885257 -1.806268 ESP Fit Center 7245 is at -1.261781 4.480710 -1.806268 ESP Fit Center 7246 is at -1.261781 4.060585 -1.806268 ESP Fit Center 7247 is at -0.333460 5.309878 -2.046222 ESP Fit Center 7248 is at -0.652713 5.041993 -2.046222 ESP Fit Center 7249 is at -0.861091 4.681072 -2.046222 ESP Fit Center 7250 is at -0.933460 4.270648 -2.046222 ESP Fit Center 7251 is at -0.444335 4.681072 -2.223023 ESP Fit Center 7252 is at 4.210034 4.825901 -0.322838 ESP Fit Center 7253 is at 4.097305 5.234363 -0.322838 ESP Fit Center 7254 is at 3.913455 5.616132 -0.322838 ESP Fit Center 7255 is at 3.664392 5.958938 -0.322838 ESP Fit Center 7256 is at 3.358120 6.251764 -0.322838 ESP Fit Center 7257 is at 3.004485 6.485196 -0.322838 ESP Fit Center 7258 is at 2.614852 6.651733 -0.322838 ESP Fit Center 7259 is at 4.284478 4.403875 -0.739594 ESP Fit Center 7260 is at 4.248017 4.820630 -0.739594 ESP Fit Center 7261 is at 4.139740 5.224723 -0.739594 ESP Fit Center 7262 is at 3.962939 5.603875 -0.739594 ESP Fit Center 7263 is at 3.722985 5.946565 -0.739594 ESP Fit Center 7264 is at 3.427168 6.242381 -0.739594 ESP Fit Center 7265 is at 3.084478 6.482336 -0.739594 ESP Fit Center 7266 is at 2.705326 6.659137 -0.739594 ESP Fit Center 7267 is at 2.301234 6.767413 -0.739594 ESP Fit Center 7268 is at 1.884478 6.803875 -0.739594 ESP Fit Center 7269 is at 4.248017 3.987119 -0.739594 ESP Fit Center 7270 is at 4.248017 4.403875 -1.156349 ESP Fit Center 7271 is at 4.210034 4.825901 -1.156349 ESP Fit Center 7272 is at 4.097305 5.234363 -1.156349 ESP Fit Center 7273 is at 3.913455 5.616132 -1.156349 ESP Fit Center 7274 is at 3.664392 5.958938 -1.156349 ESP Fit Center 7275 is at 3.358120 6.251764 -1.156349 ESP Fit Center 7276 is at 3.004485 6.485196 -1.156349 ESP Fit Center 7277 is at 2.614852 6.651733 -1.156349 ESP Fit Center 7278 is at 2.201744 6.746023 -1.156349 ESP Fit Center 7279 is at 1.778438 6.765033 -1.156349 ESP Fit Center 7280 is at 1.358541 6.708154 -1.156349 ESP Fit Center 7281 is at 4.097305 3.573387 -1.156349 ESP Fit Center 7282 is at 4.210034 3.981849 -1.156349 ESP Fit Center 7283 is at 4.139740 4.403875 -1.560442 ESP Fit Center 7284 is at 4.098985 4.830686 -1.560442 ESP Fit Center 7285 is at 3.978191 5.242071 -1.560442 ESP Fit Center 7286 is at 3.781725 5.623161 -1.560442 ESP Fit Center 7287 is at 3.516688 5.960184 -1.560442 ESP Fit Center 7288 is at 3.192659 6.240957 -1.560442 ESP Fit Center 7289 is at 2.821348 6.455333 -1.560442 ESP Fit Center 7290 is at 2.416176 6.595565 -1.560442 ESP Fit Center 7291 is at 1.991788 6.656582 -1.560442 ESP Fit Center 7292 is at 1.563521 6.636182 -1.560442 ESP Fit Center 7293 is at 1.146854 6.535099 -1.560442 ESP Fit Center 7294 is at 3.978191 3.565678 -1.560442 ESP Fit Center 7295 is at 4.098985 3.977063 -1.560442 ESP Fit Center 7296 is at 3.962939 4.403875 -1.939594 ESP Fit Center 7297 is at 3.920393 4.822266 -1.939594 ESP Fit Center 7298 is at 3.794496 5.223528 -1.939594 ESP Fit Center 7299 is at 3.590403 5.591233 -1.939594 ESP Fit Center 7300 is at 3.316469 5.910328 -1.939594 ESP Fit Center 7301 is at 2.983909 6.167749 -1.939594 ESP Fit Center 7302 is at 2.606339 6.352956 -1.939594 ESP Fit Center 7303 is at 2.199215 6.458367 -1.939594 ESP Fit Center 7304 is at 1.779206 6.479668 -1.939594 ESP Fit Center 7305 is at 1.363507 6.415985 -1.939594 ESP Fit Center 7306 is at 0.969136 6.269926 -1.939594 ESP Fit Center 7307 is at 0.612240 6.047471 -1.939594 ESP Fit Center 7308 is at 3.590403 3.216516 -1.939594 ESP Fit Center 7309 is at 3.794496 3.584221 -1.939594 ESP Fit Center 7310 is at 3.920393 3.985484 -1.939594 ESP Fit Center 7311 is at 3.722985 4.403875 -2.282284 ESP Fit Center 7312 is at 3.673428 4.827863 -2.282284 ESP Fit Center 7313 is at 3.527428 5.228995 -2.282284 ESP Fit Center 7314 is at 3.292856 5.585644 -2.282284 ESP Fit Center 7315 is at 2.982358 5.878583 -2.282284 ESP Fit Center 7316 is at 2.612673 6.092021 -2.282284 ESP Fit Center 7317 is at 2.203731 6.214450 -2.282284 ESP Fit Center 7318 is at 1.777578 6.239271 -2.282284 ESP Fit Center 7319 is at 1.357188 6.165145 -2.282284 ESP Fit Center 7320 is at 0.965225 5.996068 -2.282284 ESP Fit Center 7321 is at 0.622818 5.741156 -2.282284 ESP Fit Center 7322 is at 3.292856 3.222105 -2.282284 ESP Fit Center 7323 is at 3.527428 3.578754 -2.282284 ESP Fit Center 7324 is at 3.673428 3.979886 -2.282284 ESP Fit Center 7325 is at 3.427168 4.403875 -2.578100 ESP Fit Center 7326 is at 3.369961 4.820088 -2.578100 ESP Fit Center 7327 is at 3.202583 5.205432 -2.578100 ESP Fit Center 7328 is at 2.937446 5.531328 -2.578100 ESP Fit Center 7329 is at 2.594216 5.773607 -2.578100 ESP Fit Center 7330 is at 2.198348 5.914298 -2.578100 ESP Fit Center 7331 is at 1.779201 5.942969 -2.578100 ESP Fit Center 7332 is at 1.367863 5.857491 -2.578100 ESP Fit Center 7333 is at 0.994839 5.664206 -2.578100 ESP Fit Center 7334 is at 0.687796 5.377448 -2.578100 ESP Fit Center 7335 is at 2.937446 3.276421 -2.578100 ESP Fit Center 7336 is at 3.202583 3.602318 -2.578100 ESP Fit Center 7337 is at 3.369961 3.987662 -2.578100 ESP Fit Center 7338 is at 3.084478 4.403875 -2.818055 ESP Fit Center 7339 is at 3.012109 4.814299 -2.818055 ESP Fit Center 7340 is at 2.803731 5.175220 -2.818055 ESP Fit Center 7341 is at 2.484478 5.443105 -2.818055 ESP Fit Center 7342 is at 2.092856 5.585644 -2.818055 ESP Fit Center 7343 is at 1.676100 5.585644 -2.818055 ESP Fit Center 7344 is at 1.284478 5.443105 -2.818055 ESP Fit Center 7345 is at 0.965225 5.175220 -2.818055 ESP Fit Center 7346 is at 0.756847 4.814299 -2.818055 ESP Fit Center 7347 is at 0.684478 4.403875 -2.818055 ESP Fit Center 7348 is at 2.803731 3.632530 -2.818055 ESP Fit Center 7349 is at 3.012109 3.993450 -2.818055 ESP Fit Center 7350 is at 2.705326 4.403875 -2.994856 ESP Fit Center 7351 is at 2.595354 4.814299 -2.994856 ESP Fit Center 7352 is at 2.294902 5.114750 -2.994856 ESP Fit Center 7353 is at 1.884478 5.224723 -2.994856 ESP Fit Center 7354 is at 1.474054 5.114750 -2.994856 ESP Fit Center 7355 is at 1.173603 4.814299 -2.994856 ESP Fit Center 7356 is at 1.063630 4.403875 -2.994856 ESP Fit Center 7357 is at 1.173603 3.993450 -2.994856 ESP Fit Center 7358 is at 2.294902 3.692999 -2.994856 ESP Fit Center 7359 is at 2.595354 3.993450 -2.994856 ESP Fit Center 7360 is at 2.301234 4.403875 -3.103132 ESP Fit Center 7361 is at 2.092856 4.764796 -3.103132 ESP Fit Center 7362 is at 1.676100 4.764796 -3.103132 ESP Fit Center 7363 is at 1.467722 4.403875 -3.103132 ESP Fit Center 7364 is at 1.676100 4.042954 -3.103132 ESP Fit Center 7365 is at 2.092856 4.042954 -3.103132 ESP Fit Center 7366 is at 1.884478 4.403875 -3.139594 ESP Fit Center 7367 is at 3.683631 -0.977241 3.340367 ESP Fit Center 7368 is at 3.469822 -0.606914 3.340367 ESP Fit Center 7369 is at 3.142249 -0.332048 3.340367 ESP Fit Center 7370 is at 2.740421 -0.185794 3.340367 ESP Fit Center 7371 is at 2.312805 -0.185794 3.340367 ESP Fit Center 7372 is at 4.142290 -1.398361 3.174551 ESP Fit Center 7373 is at 4.087237 -0.980193 3.174551 ESP Fit Center 7374 is at 3.925830 -0.590522 3.174551 ESP Fit Center 7375 is at 3.669069 -0.255905 3.174551 ESP Fit Center 7376 is at 3.334451 0.000856 3.174551 ESP Fit Center 7377 is at 4.504845 -1.398361 2.965230 ESP Fit Center 7378 is at 4.461616 -0.987063 2.965230 ESP Fit Center 7379 is at 4.333818 -0.593741 2.965230 ESP Fit Center 7380 is at 4.127036 -0.235585 2.965230 ESP Fit Center 7381 is at 3.850309 0.071752 2.965230 ESP Fit Center 7382 is at 3.515729 0.314838 2.965230 ESP Fit Center 7383 is at 4.333818 -2.202981 2.965230 ESP Fit Center 7384 is at 4.461616 -1.809659 2.965230 ESP Fit Center 7385 is at 4.840648 -1.398361 2.715233 ESP Fit Center 7386 is at 4.803461 -0.985174 2.715233 ESP Fit Center 7387 is at 4.693094 -0.585267 2.715233 ESP Fit Center 7388 is at 4.513094 -0.211494 2.715233 ESP Fit Center 7389 is at 4.269247 0.124133 2.715233 ESP Fit Center 7390 is at 3.969390 0.410825 2.715233 ESP Fit Center 7391 is at 4.513094 -2.585228 2.715233 ESP Fit Center 7392 is at 4.693094 -2.211455 2.715233 ESP Fit Center 7393 is at 4.803461 -1.811548 2.715233 ESP Fit Center 7394 is at 5.145158 -1.398361 2.427943 ESP Fit Center 7395 is at 5.112919 -0.988730 2.427943 ESP Fit Center 7396 is at 5.016997 -0.589186 2.427943 ESP Fit Center 7397 is at 4.859754 -0.209566 2.427943 ESP Fit Center 7398 is at 4.645060 0.140781 2.427943 ESP Fit Center 7399 is at 4.378204 0.453230 2.427943 ESP Fit Center 7400 is at 4.378204 -3.249952 2.427943 ESP Fit Center 7401 is at 4.645060 -2.937503 2.427943 ESP Fit Center 7402 is at 4.859754 -2.587156 2.427943 ESP Fit Center 7403 is at 5.016997 -2.207536 2.427943 ESP Fit Center 7404 is at 5.112919 -1.807992 2.427943 ESP Fit Center 7405 is at 5.297287 -0.584818 2.107244 ESP Fit Center 7406 is at 5.153306 -0.198791 2.107244 ESP Fit Center 7407 is at 4.955853 0.162817 2.107244 ESP Fit Center 7408 is at 4.708948 0.492643 2.107244 ESP Fit Center 7409 is at 4.417617 0.783974 2.107244 ESP Fit Center 7410 is at 4.087791 -3.827601 2.107244 ESP Fit Center 7411 is at 4.417617 -3.580696 2.107244 ESP Fit Center 7412 is at 4.708948 -3.289365 2.107244 ESP Fit Center 7413 is at 5.396915 -0.181248 1.757473 ESP Fit Center 7414 is at 5.209080 0.190466 1.757473 ESP Fit Center 7415 is at 4.973375 0.533828 1.757473 ESP Fit Center 7416 is at 4.694008 0.842709 1.757473 ESP Fit Center 7417 is at 3.647135 -4.307730 1.757473 ESP Fit Center 7418 is at 4.024919 -4.132420 1.757473 ESP Fit Center 7419 is at 4.375964 -3.908321 1.757473 ESP Fit Center 7420 is at 5.423313 0.194113 1.383361 ESP Fit Center 7421 is at 5.200882 0.544609 1.383361 ESP Fit Center 7422 is at 4.936276 0.864463 1.383361 ESP Fit Center 7423 is at 3.548093 -4.542152 1.383361 ESP Fit Center 7424 is at 3.934060 -4.389337 1.383361 ESP Fit Center 7425 is at 4.297830 -4.189353 1.383361 ESP Fit Center 7426 is at 5.364889 0.560759 0.989965 ESP Fit Center 7427 is at 5.108049 0.888591 0.989965 ESP Fit Center 7428 is at 4.813565 1.183075 0.989965 ESP Fit Center 7429 is at 2.942315 -4.821978 0.989965 ESP Fit Center 7430 is at 3.351956 -4.746908 0.989965 ESP Fit Center 7431 is at 3.749561 -4.623010 0.989965 ESP Fit Center 7432 is at 4.129333 -4.452088 0.989965 ESP Fit Center 7433 is at 4.485733 -4.236637 0.989965 ESP Fit Center 7434 is at 5.488674 0.549818 0.582607 ESP Fit Center 7435 is at 5.242476 0.880519 0.582607 ESP Fit Center 7436 is at 4.959551 1.180403 0.582607 ESP Fit Center 7437 is at 2.732754 -4.937671 0.582607 ESP Fit Center 7438 is at 3.142249 -4.889808 0.582607 ESP Fit Center 7439 is at 3.543419 -4.794729 0.582607 ESP Fit Center 7440 is at 3.930838 -4.653720 0.582607 ESP Fit Center 7441 is at 4.299267 -4.468688 0.582607 ESP Fit Center 7442 is at 5.529280 0.576524 0.166795 ESP Fit Center 7443 is at 5.279707 0.911759 0.166795 ESP Fit Center 7444 is at 4.992903 1.215754 0.166795 ESP Fit Center 7445 is at 2.317646 -4.986190 0.166795 ESP Fit Center 7446 is at 2.735580 -4.986190 0.166795 ESP Fit Center 7447 is at 3.150689 -4.937671 0.166795 ESP Fit Center 7448 is at 3.557358 -4.841288 0.166795 ESP Fit Center 7449 is at 3.950088 -4.698346 0.166795 ESP Fit Center 7450 is at 4.323568 -4.510778 0.166795 ESP Fit Center 7451 is at 5.279707 0.911759 -0.251848 ESP Fit Center 7452 is at 4.992903 1.215754 -0.251848 ESP Fit Center 7453 is at 1.495868 -4.841288 -0.251848 ESP Fit Center 7454 is at 1.902537 -4.937671 -0.251848 ESP Fit Center 7455 is at 2.317646 -4.986190 -0.251848 ESP Fit Center 7456 is at 2.735580 -4.986190 -0.251848 ESP Fit Center 7457 is at 3.150689 -4.937671 -0.251848 ESP Fit Center 7458 is at 3.557358 -4.841288 -0.251848 ESP Fit Center 7459 is at 3.950088 -4.698346 -0.251848 ESP Fit Center 7460 is at 4.323568 -4.510778 -0.251848 ESP Fit Center 7461 is at 5.242476 0.880519 -0.667660 ESP Fit Center 7462 is at 4.959551 1.180403 -0.667660 ESP Fit Center 7463 is at 4.643724 1.445413 -0.667660 ESP Fit Center 7464 is at -0.189250 -3.677241 -0.667660 ESP Fit Center 7465 is at 0.093675 -3.977124 -0.667660 ESP Fit Center 7466 is at 0.409502 -4.242135 -0.667660 ESP Fit Center 7467 is at 0.753959 -4.468688 -0.667660 ESP Fit Center 7468 is at 1.122388 -4.653720 -0.667660 ESP Fit Center 7469 is at 1.509807 -4.794729 -0.667660 ESP Fit Center 7470 is at 1.910977 -4.889808 -0.667660 ESP Fit Center 7471 is at 2.320472 -4.937671 -0.667660 ESP Fit Center 7472 is at 2.732754 -4.937671 -0.667660 ESP Fit Center 7473 is at 3.142249 -4.889808 -0.667660 ESP Fit Center 7474 is at 3.543419 -4.794729 -0.667660 ESP Fit Center 7475 is at 3.930838 -4.653720 -0.667660 ESP Fit Center 7476 is at 4.299267 -4.468688 -0.667660 ESP Fit Center 7477 is at 5.364889 0.560759 -1.075018 ESP Fit Center 7478 is at 5.108049 0.888591 -1.075018 ESP Fit Center 7479 is at 4.813565 1.183075 -1.075018 ESP Fit Center 7480 is at 4.485733 1.439915 -1.075018 ESP Fit Center 7481 is at 0.239661 -3.979797 -1.075018 ESP Fit Center 7482 is at 0.567493 -4.236637 -1.075018 ESP Fit Center 7483 is at 0.923893 -4.452088 -1.075018 ESP Fit Center 7484 is at 1.303665 -4.623010 -1.075018 ESP Fit Center 7485 is at 1.701270 -4.746908 -1.075018 ESP Fit Center 7486 is at 2.110911 -4.821978 -1.075018 ESP Fit Center 7487 is at 2.526613 -4.847123 -1.075018 ESP Fit Center 7488 is at 2.942315 -4.821978 -1.075018 ESP Fit Center 7489 is at 3.351956 -4.746908 -1.075018 ESP Fit Center 7490 is at 3.749561 -4.623010 -1.075018 ESP Fit Center 7491 is at 4.129333 -4.452088 -1.075018 ESP Fit Center 7492 is at 5.200882 0.544609 -1.468414 ESP Fit Center 7493 is at 4.936276 0.864463 -1.468414 ESP Fit Center 7494 is at 4.633668 1.148631 -1.468414 ESP Fit Center 7495 is at 4.297830 1.392631 -1.468414 ESP Fit Center 7496 is at 1.119166 -4.389337 -1.468414 ESP Fit Center 7497 is at 1.505133 -4.542152 -1.468414 ESP Fit Center 7498 is at 1.907209 -4.645388 -1.468414 ESP Fit Center 7499 is at 2.319054 -4.697416 -1.468414 ESP Fit Center 7500 is at 2.734172 -4.697416 -1.468414 ESP Fit Center 7501 is at 3.146016 -4.645388 -1.468414 ESP Fit Center 7502 is at 3.548093 -4.542152 -1.468414 ESP Fit Center 7503 is at 3.934060 -4.389337 -1.468414 ESP Fit Center 7504 is at 4.297830 -4.189353 -1.468414 ESP Fit Center 7505 is at 5.209080 0.190466 -1.842527 ESP Fit Center 7506 is at 4.973375 0.533828 -1.842527 ESP Fit Center 7507 is at 4.694008 0.842709 -1.842527 ESP Fit Center 7508 is at 4.375964 1.111599 -1.842527 ESP Fit Center 7509 is at 4.024919 1.335698 -1.842527 ESP Fit Center 7510 is at 1.602917 -4.376076 -1.842527 ESP Fit Center 7511 is at 2.008049 -4.472624 -1.842527 ESP Fit Center 7512 is at 2.422435 -4.514311 -1.842527 ESP Fit Center 7513 is at 2.838680 -4.500395 -1.842527 ESP Fit Center 7514 is at 3.249357 -4.431122 -1.842527 ESP Fit Center 7515 is at 3.647135 -4.307730 -1.842527 ESP Fit Center 7516 is at 4.024919 -4.132420 -1.842527 ESP Fit Center 7517 is at 4.375964 -3.908321 -1.842527 ESP Fit Center 7518 is at 5.153306 -0.198791 -2.192298 ESP Fit Center 7519 is at 4.955853 0.162817 -2.192298 ESP Fit Center 7520 is at 4.708948 0.492643 -2.192298 ESP Fit Center 7521 is at 4.417617 0.783974 -2.192298 ESP Fit Center 7522 is at 4.087791 1.030879 -2.192298 ESP Fit Center 7523 is at 3.726183 1.228332 -2.192298 ESP Fit Center 7524 is at 2.115658 -4.256612 -2.192298 ESP Fit Center 7525 is at 2.526613 -4.286004 -2.192298 ESP Fit Center 7526 is at 2.937567 -4.256612 -2.192298 ESP Fit Center 7527 is at 3.340156 -4.169035 -2.192298 ESP Fit Center 7528 is at 3.726183 -4.025054 -2.192298 ESP Fit Center 7529 is at 4.087791 -3.827601 -2.192298 ESP Fit Center 7530 is at 4.417617 -3.580696 -2.192298 ESP Fit Center 7531 is at 5.016997 -0.589186 -2.512996 ESP Fit Center 7532 is at 4.859754 -0.209566 -2.512996 ESP Fit Center 7533 is at 4.645060 0.140781 -2.512996 ESP Fit Center 7534 is at 4.378204 0.453230 -2.512996 ESP Fit Center 7535 is at 4.065755 0.720087 -2.512996 ESP Fit Center 7536 is at 3.715408 0.934780 -2.512996 ESP Fit Center 7537 is at 3.335788 1.092023 -2.512996 ESP Fit Center 7538 is at 2.936244 -3.984667 -2.512996 ESP Fit Center 7539 is at 3.335788 -3.888745 -2.512996 ESP Fit Center 7540 is at 3.715408 -3.731502 -2.512996 ESP Fit Center 7541 is at 4.065755 -3.516808 -2.512996 ESP Fit Center 7542 is at 4.378204 -3.249952 -2.512996 ESP Fit Center 7543 is at 4.840648 -1.398361 -2.800287 ESP Fit Center 7544 is at 4.803461 -0.985174 -2.800287 ESP Fit Center 7545 is at 4.693094 -0.585267 -2.800287 ESP Fit Center 7546 is at 4.513094 -0.211494 -2.800287 ESP Fit Center 7547 is at 4.269247 0.124133 -2.800287 ESP Fit Center 7548 is at 3.969390 0.410825 -2.800287 ESP Fit Center 7549 is at 3.623162 0.639368 -2.800287 ESP Fit Center 7550 is at 3.241689 0.802417 -2.800287 ESP Fit Center 7551 is at 3.241689 -3.599139 -2.800287 ESP Fit Center 7552 is at 3.623162 -3.436090 -2.800287 ESP Fit Center 7553 is at 3.969390 -3.207547 -2.800287 ESP Fit Center 7554 is at 4.269247 -2.920854 -2.800287 ESP Fit Center 7555 is at 4.513094 -2.585228 -2.800287 ESP Fit Center 7556 is at 4.693094 -2.211455 -2.800287 ESP Fit Center 7557 is at 4.803461 -1.811548 -2.800287 ESP Fit Center 7558 is at 4.504845 -1.398361 -3.050283 ESP Fit Center 7559 is at 4.461616 -0.987063 -3.050283 ESP Fit Center 7560 is at 4.333818 -0.593741 -3.050283 ESP Fit Center 7561 is at 4.127036 -0.235585 -3.050283 ESP Fit Center 7562 is at 3.850309 0.071752 -3.050283 ESP Fit Center 7563 is at 3.515729 0.314838 -3.050283 ESP Fit Center 7564 is at 3.137920 0.483050 -3.050283 ESP Fit Center 7565 is at 2.733395 0.569034 -3.050283 ESP Fit Center 7566 is at 3.515729 -3.111560 -3.050283 ESP Fit Center 7567 is at 3.850309 -2.868474 -3.050283 ESP Fit Center 7568 is at 4.127036 -2.561137 -3.050283 ESP Fit Center 7569 is at 4.333818 -2.202981 -3.050283 ESP Fit Center 7570 is at 4.461616 -1.809659 -3.050283 ESP Fit Center 7571 is at 4.142290 -1.398361 -3.259604 ESP Fit Center 7572 is at 4.087237 -0.980193 -3.259604 ESP Fit Center 7573 is at 3.925830 -0.590522 -3.259604 ESP Fit Center 7574 is at 3.669069 -0.255905 -3.259604 ESP Fit Center 7575 is at 3.334451 0.000856 -3.259604 ESP Fit Center 7576 is at 2.944781 0.162263 -3.259604 ESP Fit Center 7577 is at 2.526613 0.217316 -3.259604 ESP Fit Center 7578 is at 3.669069 -2.540817 -3.259604 ESP Fit Center 7579 is at 3.925830 -2.206199 -3.259604 ESP Fit Center 7580 is at 4.087237 -1.816529 -3.259604 ESP Fit Center 7581 is at 3.757885 -1.398361 -3.425420 ESP Fit Center 7582 is at 3.683631 -0.977241 -3.425420 ESP Fit Center 7583 is at 3.469822 -0.606914 -3.425420 ESP Fit Center 7584 is at 3.142249 -0.332048 -3.425420 ESP Fit Center 7585 is at 3.683631 -1.819481 -3.425420 ESP Fit Center 7586 is at 5.070788 -2.123568 2.408868 ESP Fit Center 7587 is at 5.506475 -1.708056 2.199624 ESP Fit Center 7588 is at 5.452730 -1.299822 2.199624 ESP Fit Center 7589 is at 5.044496 -2.823373 2.199624 ESP Fit Center 7590 is at 5.295158 -2.496704 2.199624 ESP Fit Center 7591 is at 5.452730 -2.116291 2.199624 ESP Fit Center 7592 is at 5.833663 -1.708056 1.938701 ESP Fit Center 7593 is at 5.789137 -1.298649 1.938701 ESP Fit Center 7594 is at 5.657642 -0.908384 1.938701 ESP Fit Center 7595 is at 5.445326 -0.555512 1.938701 ESP Fit Center 7596 is at 4.821256 -3.390691 1.938701 ESP Fit Center 7597 is at 5.162116 -3.159582 1.938701 ESP Fit Center 7598 is at 5.445326 -2.860601 1.938701 ESP Fit Center 7599 is at 5.657642 -2.507728 1.938701 ESP Fit Center 7600 is at 5.789137 -2.117464 1.938701 ESP Fit Center 7601 is at 6.118307 -1.708056 1.631927 ESP Fit Center 7602 is at 6.078747 -1.293761 1.631927 ESP Fit Center 7603 is at 5.961496 -0.894440 1.631927 ESP Fit Center 7604 is at 5.770791 -0.524524 1.631927 ESP Fit Center 7605 is at 5.513526 -0.197385 1.631927 ESP Fit Center 7606 is at 4.838576 -3.699357 1.631927 ESP Fit Center 7607 is at 5.198998 -3.491268 1.631927 ESP Fit Center 7608 is at 5.513526 -3.218728 1.631927 ESP Fit Center 7609 is at 5.770791 -2.891588 1.631927 ESP Fit Center 7610 is at 5.961496 -2.521673 1.631927 ESP Fit Center 7611 is at 6.078747 -2.122352 1.631927 ESP Fit Center 7612 is at 6.354050 -1.708056 1.286156 ESP Fit Center 7613 is at 6.319171 -1.298251 1.286156 ESP Fit Center 7614 is at 6.215536 -0.900235 1.286156 ESP Fit Center 7615 is at 6.046126 -0.525459 1.286156 ESP Fit Center 7616 is at 5.815816 -0.184704 1.286156 ESP Fit Center 7617 is at 5.531230 0.112227 1.286156 ESP Fit Center 7618 is at 4.833308 -3.958068 1.286156 ESP Fit Center 7619 is at 5.200557 -3.772905 1.286156 ESP Fit Center 7620 is at 5.531230 -3.528340 1.286156 ESP Fit Center 7621 is at 5.815816 -3.231409 1.286156 ESP Fit Center 7622 is at 6.046126 -2.890654 1.286156 ESP Fit Center 7623 is at 6.215536 -2.515877 1.286156 ESP Fit Center 7624 is at 6.319171 -2.117862 1.286156 ESP Fit Center 7625 is at 6.535626 -1.708056 0.909110 ESP Fit Center 7626 is at 6.503536 -1.300318 0.909110 ESP Fit Center 7627 is at 6.408057 -0.902620 0.909110 ESP Fit Center 7628 is at 6.251540 -0.524754 0.909110 ESP Fit Center 7629 is at 6.037839 -0.176026 0.909110 ESP Fit Center 7630 is at 5.772215 0.134980 0.909110 ESP Fit Center 7631 is at 4.734616 -4.186934 0.909110 ESP Fit Center 7632 is at 5.112481 -4.030417 0.909110 ESP Fit Center 7633 is at 5.461210 -3.816716 0.909110 ESP Fit Center 7634 is at 5.772215 -3.551092 0.909110 ESP Fit Center 7635 is at 6.037839 -3.240087 0.909110 ESP Fit Center 7636 is at 6.251540 -2.891358 0.909110 ESP Fit Center 7637 is at 6.408057 -2.513493 0.909110 ESP Fit Center 7638 is at 6.503536 -2.115794 0.909110 ESP Fit Center 7639 is at 6.658977 -1.708056 0.509214 ESP Fit Center 7640 is at 6.626985 -1.291355 0.509214 ESP Fit Center 7641 is at 6.531759 -0.884420 0.509214 ESP Fit Center 7642 is at 6.375530 -0.496791 0.509214 ESP Fit Center 7643 is at 6.161961 -0.137553 0.509214 ESP Fit Center 7644 is at 5.896058 0.184874 0.509214 ESP Fit Center 7645 is at 5.584052 0.462933 0.509214 ESP Fit Center 7646 is at 4.851897 -4.277179 0.509214 ESP Fit Center 7647 is at 5.233258 -4.106217 0.509214 ESP Fit Center 7648 is at 5.584052 -3.879045 0.509214 ESP Fit Center 7649 is at 5.896058 -3.600987 0.509214 ESP Fit Center 7650 is at 6.161961 -3.278560 0.509214 ESP Fit Center 7651 is at 6.375530 -2.919322 0.509214 ESP Fit Center 7652 is at 6.531759 -2.531693 0.509214 ESP Fit Center 7653 is at 6.626985 -2.124758 0.509214 ESP Fit Center 7654 is at 6.721350 -1.708056 0.095400 ESP Fit Center 7655 is at 6.690164 -1.291905 0.095400 ESP Fit Center 7656 is at 6.597302 -0.885050 0.095400 ESP Fit Center 7657 is at 6.444838 -0.496579 0.095400 ESP Fit Center 7658 is at 6.236179 -0.135171 0.095400 ESP Fit Center 7659 is at 5.975985 0.191102 0.095400 ESP Fit Center 7660 is at 5.670069 0.474951 0.095400 ESP Fit Center 7661 is at 4.550496 -4.430221 0.095400 ESP Fit Center 7662 is at 4.949274 -4.307215 0.095400 ESP Fit Center 7663 is at 5.325265 -4.126147 0.095400 ESP Fit Center 7664 is at 5.670069 -3.891063 0.095400 ESP Fit Center 7665 is at 5.975985 -3.607215 0.095400 ESP Fit Center 7666 is at 6.236179 -3.280942 0.095400 ESP Fit Center 7667 is at 6.444838 -2.919534 0.095400 ESP Fit Center 7668 is at 6.597302 -2.531063 0.095400 ESP Fit Center 7669 is at 6.690164 -2.124208 0.095400 ESP Fit Center 7670 is at 6.721350 -1.708056 -0.323089 ESP Fit Center 7671 is at 6.690164 -1.291905 -0.323089 ESP Fit Center 7672 is at 6.597302 -0.885050 -0.323089 ESP Fit Center 7673 is at 6.444838 -0.496579 -0.323089 ESP Fit Center 7674 is at 6.236179 -0.135171 -0.323089 ESP Fit Center 7675 is at 5.975985 0.191102 -0.323089 ESP Fit Center 7676 is at 5.670069 0.474951 -0.323089 ESP Fit Center 7677 is at 4.550496 -4.430221 -0.323089 ESP Fit Center 7678 is at 4.949274 -4.307215 -0.323089 ESP Fit Center 7679 is at 5.325265 -4.126147 -0.323089 ESP Fit Center 7680 is at 5.670069 -3.891063 -0.323089 ESP Fit Center 7681 is at 5.975985 -3.607215 -0.323089 ESP Fit Center 7682 is at 6.236179 -3.280942 -0.323089 ESP Fit Center 7683 is at 6.444838 -2.919534 -0.323089 ESP Fit Center 7684 is at 6.597302 -2.531063 -0.323089 ESP Fit Center 7685 is at 6.690164 -2.124208 -0.323089 ESP Fit Center 7686 is at 6.658977 -1.708056 -0.736903 ESP Fit Center 7687 is at 6.626985 -1.291355 -0.736903 ESP Fit Center 7688 is at 6.531759 -0.884420 -0.736903 ESP Fit Center 7689 is at 6.375530 -0.496791 -0.736903 ESP Fit Center 7690 is at 6.161961 -0.137553 -0.736903 ESP Fit Center 7691 is at 5.896058 0.184874 -0.736903 ESP Fit Center 7692 is at 5.584052 0.462933 -0.736903 ESP Fit Center 7693 is at 4.448909 -4.387922 -0.736903 ESP Fit Center 7694 is at 4.851897 -4.277179 -0.736903 ESP Fit Center 7695 is at 5.233258 -4.106217 -0.736903 ESP Fit Center 7696 is at 5.584052 -3.879045 -0.736903 ESP Fit Center 7697 is at 5.896058 -3.600987 -0.736903 ESP Fit Center 7698 is at 6.161961 -3.278560 -0.736903 ESP Fit Center 7699 is at 6.375530 -2.919322 -0.736903 ESP Fit Center 7700 is at 6.531759 -2.531693 -0.736903 ESP Fit Center 7701 is at 6.626985 -2.124758 -0.736903 ESP Fit Center 7702 is at 6.535626 -1.708056 -1.136799 ESP Fit Center 7703 is at 6.503536 -1.300318 -1.136799 ESP Fit Center 7704 is at 6.408057 -0.902620 -1.136799 ESP Fit Center 7705 is at 6.251540 -0.524754 -1.136799 ESP Fit Center 7706 is at 6.037839 -0.176026 -1.136799 ESP Fit Center 7707 is at 5.772215 0.134980 -1.136799 ESP Fit Center 7708 is at 5.461210 0.400603 -1.136799 ESP Fit Center 7709 is at 4.734616 -4.186934 -1.136799 ESP Fit Center 7710 is at 5.112481 -4.030417 -1.136799 ESP Fit Center 7711 is at 5.461210 -3.816716 -1.136799 ESP Fit Center 7712 is at 5.772215 -3.551092 -1.136799 ESP Fit Center 7713 is at 6.037839 -3.240087 -1.136799 ESP Fit Center 7714 is at 6.251540 -2.891358 -1.136799 ESP Fit Center 7715 is at 6.408057 -2.513493 -1.136799 ESP Fit Center 7716 is at 6.503536 -2.115794 -1.136799 ESP Fit Center 7717 is at 6.354050 -1.708056 -1.513844 ESP Fit Center 7718 is at 6.319171 -1.298251 -1.513844 ESP Fit Center 7719 is at 6.215536 -0.900235 -1.513844 ESP Fit Center 7720 is at 6.046126 -0.525459 -1.513844 ESP Fit Center 7721 is at 5.815816 -0.184704 -1.513844 ESP Fit Center 7722 is at 5.531230 0.112227 -1.513844 ESP Fit Center 7723 is at 4.440049 -4.078502 -1.513844 ESP Fit Center 7724 is at 4.833308 -3.958068 -1.513844 ESP Fit Center 7725 is at 5.200557 -3.772905 -1.513844 ESP Fit Center 7726 is at 5.531230 -3.528340 -1.513844 ESP Fit Center 7727 is at 5.815816 -3.231409 -1.513844 ESP Fit Center 7728 is at 6.046126 -2.890654 -1.513844 ESP Fit Center 7729 is at 6.215536 -2.515877 -1.513844 ESP Fit Center 7730 is at 6.319171 -2.117862 -1.513844 ESP Fit Center 7731 is at 6.118307 -1.708056 -1.859616 ESP Fit Center 7732 is at 6.078747 -1.293761 -1.859616 ESP Fit Center 7733 is at 5.961496 -0.894440 -1.859616 ESP Fit Center 7734 is at 5.770791 -0.524524 -1.859616 ESP Fit Center 7735 is at 5.513526 -0.197385 -1.859616 ESP Fit Center 7736 is at 4.838576 -3.699357 -1.859616 ESP Fit Center 7737 is at 5.198998 -3.491268 -1.859616 ESP Fit Center 7738 is at 5.513526 -3.218728 -1.859616 ESP Fit Center 7739 is at 5.770791 -2.891588 -1.859616 ESP Fit Center 7740 is at 5.961496 -2.521673 -1.859616 ESP Fit Center 7741 is at 6.078747 -2.122352 -1.859616 ESP Fit Center 7742 is at 5.833663 -1.708056 -2.166390 ESP Fit Center 7743 is at 5.789137 -1.298649 -2.166390 ESP Fit Center 7744 is at 5.657642 -0.908384 -2.166390 ESP Fit Center 7745 is at 5.445326 -0.555512 -2.166390 ESP Fit Center 7746 is at 4.821256 -3.390691 -2.166390 ESP Fit Center 7747 is at 5.162116 -3.159582 -2.166390 ESP Fit Center 7748 is at 5.445326 -2.860601 -2.166390 ESP Fit Center 7749 is at 5.657642 -2.507728 -2.166390 ESP Fit Center 7750 is at 5.789137 -2.117464 -2.166390 ESP Fit Center 7751 is at 5.506475 -1.708056 -2.427313 ESP Fit Center 7752 is at 5.452730 -1.299822 -2.427313 ESP Fit Center 7753 is at 5.295158 -0.919408 -2.427313 ESP Fit Center 7754 is at 4.717827 -3.074035 -2.427313 ESP Fit Center 7755 is at 5.044496 -2.823373 -2.427313 ESP Fit Center 7756 is at 5.295158 -2.496704 -2.427313 ESP Fit Center 7757 is at 5.452730 -2.116291 -2.427313 ESP Fit Center 7758 is at 5.144054 -1.708056 -2.636557 ESP Fit Center 7759 is at 5.070788 -1.292545 -2.636557 ESP Fit Center 7760 is at 4.859827 -2.488963 -2.636557 ESP Fit Center 7761 is at 5.070788 -2.123568 -2.636557 ESP Fit Center 7762 is at -0.244118 -3.514095 -1.060390 ESP Fit Center 7763 is at -0.504311 -3.187823 -1.478879 ESP Fit Center 7764 is at -0.244118 -3.514095 -1.478879 ESP Fit Center 7765 is at 0.061798 -3.797944 -1.478879 ESP Fit Center 7766 is at 0.406603 -4.033028 -1.478879 ESP Fit Center 7767 is at 0.782594 -4.214095 -1.478879 ESP Fit Center 7768 is at -0.543763 -3.009915 -1.892693 ESP Fit Center 7769 is at -0.303321 -3.351750 -1.892693 ESP Fit Center 7770 is at -0.013517 -3.652877 -1.892693 ESP Fit Center 7771 is at 0.318859 -3.906235 -1.892693 ESP Fit Center 7772 is at 0.686013 -4.105888 -1.892693 ESP Fit Center 7773 is at 1.079342 -4.247154 -1.892693 ESP Fit Center 7774 is at 1.489626 -4.326724 -1.892693 ESP Fit Center 7775 is at -0.676190 -2.420373 -2.292589 ESP Fit Center 7776 is at -0.519673 -2.798239 -2.292589 ESP Fit Center 7777 is at -0.305971 -3.146968 -2.292589 ESP Fit Center 7778 is at -0.040348 -3.457973 -2.292589 ESP Fit Center 7779 is at 0.270657 -3.723596 -2.292589 ESP Fit Center 7780 is at 0.619386 -3.937298 -2.292589 ESP Fit Center 7781 is at 0.997252 -4.093815 -2.292589 ESP Fit Center 7782 is at 1.394950 -4.189294 -2.292589 ESP Fit Center 7783 is at 1.802688 -4.221383 -2.292589 ESP Fit Center 7784 is at -0.543939 -2.225951 -2.669635 ESP Fit Center 7785 is at -0.406923 -2.613744 -2.669635 ESP Fit Center 7786 is at -0.206341 -2.972804 -2.669635 ESP Fit Center 7787 is at 0.052038 -3.292800 -2.669635 ESP Fit Center 7788 is at 0.360779 -3.564526 -2.669635 ESP Fit Center 7789 is at 0.711002 -3.780167 -2.669635 ESP Fit Center 7790 is at 1.092631 -3.933518 -2.669635 ESP Fit Center 7791 is at 1.494686 -4.020168 -2.669635 ESP Fit Center 7792 is at 1.905603 -4.037623 -2.669635 ESP Fit Center 7793 is at 2.313558 -3.985382 -2.669635 ESP Fit Center 7794 is at 2.706817 -3.864948 -2.669635 ESP Fit Center 7795 is at -0.297765 -2.231686 -3.015406 ESP Fit Center 7796 is at -0.143086 -2.618054 -3.015406 ESP Fit Center 7797 is at 0.081917 -2.968166 -3.015406 ESP Fit Center 7798 is at 0.369114 -3.269370 -3.015406 ESP Fit Center 7799 is at 0.708124 -3.510778 -3.015406 ESP Fit Center 7800 is at 1.086695 -3.683665 -3.015406 ESP Fit Center 7801 is at 1.491143 -3.781783 -3.015406 ESP Fit Center 7802 is at 1.906851 -3.801586 -3.015406 ESP Fit Center 7803 is at 2.318795 -3.742357 -3.015406 ESP Fit Center 7804 is at 2.712085 -3.606238 -3.015406 ESP Fit Center 7805 is at 3.072507 -3.398148 -3.015406 ESP Fit Center 7806 is at 2.312192 0.220128 -3.322180 ESP Fit Center 7807 is at 1.905795 0.286754 -3.322180 ESP Fit Center 7808 is at -0.090631 -1.820848 -3.322180 ESP Fit Center 7809 is at -0.002102 -2.223042 -3.322180 ESP Fit Center 7810 is at 0.170818 -2.596801 -3.322180 ESP Fit Center 7811 is at 0.420042 -2.924649 -3.322180 ESP Fit Center 7812 is at 0.733917 -3.191257 -3.322180 ESP Fit Center 7813 is at 1.097766 -3.384158 -3.322180 ESP Fit Center 7814 is at 1.494577 -3.494332 -3.322180 ESP Fit Center 7815 is at 1.905795 -3.516628 -3.322180 ESP Fit Center 7816 is at 2.312192 -3.450002 -3.322180 ESP Fit Center 7817 is at 2.694765 -3.297571 -3.322180 ESP Fit Center 7818 is at 3.035625 -3.066462 -3.322180 ESP Fit Center 7819 is at 3.318835 -2.767481 -3.322180 ESP Fit Center 7820 is at 3.379984 -1.614937 -3.583103 ESP Fit Center 7821 is at 3.326239 -1.206703 -3.583103 ESP Fit Center 7822 is at 3.168667 -0.826289 -3.583103 ESP Fit Center 7823 is at 2.918005 -0.499620 -3.583103 ESP Fit Center 7824 is at 2.591336 -0.248958 -3.583103 ESP Fit Center 7825 is at 2.210923 -0.091386 -3.583103 ESP Fit Center 7826 is at 1.802688 -0.037641 -3.583103 ESP Fit Center 7827 is at 0.225392 -1.614937 -3.583103 ESP Fit Center 7828 is at 0.279137 -2.023171 -3.583103 ESP Fit Center 7829 is at 0.436710 -2.403585 -3.583103 ESP Fit Center 7830 is at 0.687371 -2.730254 -3.583103 ESP Fit Center 7831 is at 1.014040 -2.980916 -3.583103 ESP Fit Center 7832 is at 1.394454 -3.138488 -3.583103 ESP Fit Center 7833 is at 1.802688 -3.192233 -3.583103 ESP Fit Center 7834 is at 2.210923 -3.138488 -3.583103 ESP Fit Center 7835 is at 2.591336 -2.980916 -3.583103 ESP Fit Center 7836 is at 2.918005 -2.730254 -3.583103 ESP Fit Center 7837 is at 3.168667 -2.403585 -3.583103 ESP Fit Center 7838 is at 3.326239 -2.023171 -3.583103 ESP Fit Center 7839 is at 3.017563 -1.614937 -3.792347 ESP Fit Center 7840 is at 2.944297 -1.199425 -3.792347 ESP Fit Center 7841 is at 2.733336 -0.834031 -3.792347 ESP Fit Center 7842 is at 2.410126 -0.562825 -3.792347 ESP Fit Center 7843 is at 2.013649 -0.418519 -3.792347 ESP Fit Center 7844 is at 1.591728 -0.418519 -3.792347 ESP Fit Center 7845 is at 1.195251 -0.562825 -3.792347 ESP Fit Center 7846 is at 0.872040 -0.834031 -3.792347 ESP Fit Center 7847 is at 0.661080 -1.199425 -3.792347 ESP Fit Center 7848 is at 0.587814 -1.614937 -3.792347 ESP Fit Center 7849 is at 0.661080 -2.030448 -3.792347 ESP Fit Center 7850 is at 0.872040 -2.395843 -3.792347 ESP Fit Center 7851 is at 1.195251 -2.667049 -3.792347 ESP Fit Center 7852 is at 1.591728 -2.811355 -3.792347 ESP Fit Center 7853 is at 2.013649 -2.811355 -3.792347 ESP Fit Center 7854 is at 2.410126 -2.667049 -3.792347 ESP Fit Center 7855 is at 2.733336 -2.395843 -3.792347 ESP Fit Center 7856 is at 2.944297 -2.030448 -3.792347 ESP Fit Center 7857 is at 2.628003 -1.614937 -3.945238 ESP Fit Center 7858 is at 2.517432 -1.202280 -3.945238 ESP Fit Center 7859 is at 2.215346 -0.900194 -3.945238 ESP Fit Center 7860 is at 1.802688 -0.789622 -3.945238 ESP Fit Center 7861 is at 1.390031 -0.900194 -3.945238 ESP Fit Center 7862 is at 1.087945 -1.202280 -3.945238 ESP Fit Center 7863 is at 0.977374 -1.614937 -3.945238 ESP Fit Center 7864 is at 1.087945 -2.027594 -3.945238 ESP Fit Center 7865 is at 1.390031 -2.329680 -3.945238 ESP Fit Center 7866 is at 1.802688 -2.440251 -3.945238 ESP Fit Center 7867 is at 2.215346 -2.329680 -3.945238 ESP Fit Center 7868 is at 2.517432 -2.027594 -3.945238 ESP Fit Center 7869 is at 2.220007 -1.614937 -4.038361 ESP Fit Center 7870 is at 2.011347 -1.253529 -4.038361 ESP Fit Center 7871 is at 1.594029 -1.253529 -4.038361 ESP Fit Center 7872 is at 1.385370 -1.614937 -4.038361 ESP Fit Center 7873 is at 1.594029 -1.976345 -4.038361 ESP Fit Center 7874 is at 2.011347 -1.976345 -4.038361 ESP Fit Center 7875 is at 1.802688 -1.614937 -4.069635 ESP Fit Center 7876 is at 0.222116 -1.867080 3.234671 ESP Fit Center 7877 is at 0.168371 -2.275315 3.234671 ESP Fit Center 7878 is at 0.222116 -2.683549 3.234671 ESP Fit Center 7879 is at 0.379689 -3.063963 3.234671 ESP Fit Center 7880 is at 0.630350 -3.390631 3.234671 ESP Fit Center 7881 is at -0.147652 -2.069404 2.973747 ESP Fit Center 7882 is at -0.147652 -2.481226 2.973747 ESP Fit Center 7883 is at -0.059123 -2.883419 2.973747 ESP Fit Center 7884 is at 0.113797 -3.257179 2.973747 ESP Fit Center 7885 is at 0.363021 -3.585027 2.973747 ESP Fit Center 7886 is at 0.676895 -3.851635 2.973747 ESP Fit Center 7887 is at 1.040745 -4.044536 2.973747 ESP Fit Center 7888 is at -0.433549 -2.483405 2.666973 ESP Fit Center 7889 is at -0.354786 -2.892063 2.666973 ESP Fit Center 7890 is at -0.200108 -3.278431 2.666973 ESP Fit Center 7891 is at 0.024896 -3.628544 2.666973 ESP Fit Center 7892 is at 0.312093 -3.929747 2.666973 ESP Fit Center 7893 is at 0.651103 -4.171155 2.666973 ESP Fit Center 7894 is at 1.029673 -4.344043 2.666973 ESP Fit Center 7895 is at 1.434122 -4.442161 2.666973 ESP Fit Center 7896 is at 1.849830 -4.461963 2.666973 ESP Fit Center 7897 is at -0.670468 -2.480958 2.321202 ESP Fit Center 7898 is at -0.600961 -2.886329 2.321202 ESP Fit Center 7899 is at -0.463945 -3.274122 2.321202 ESP Fit Center 7900 is at -0.263362 -3.633181 2.321202 ESP Fit Center 7901 is at -0.004983 -3.953177 2.321202 ESP Fit Center 7902 is at 0.303758 -4.224904 2.321202 ESP Fit Center 7903 is at 0.653981 -4.440545 2.321202 ESP Fit Center 7904 is at 1.035610 -4.593896 2.321202 ESP Fit Center 7905 is at 1.437665 -4.680545 2.321202 ESP Fit Center 7906 is at 1.848582 -4.698001 2.321202 ESP Fit Center 7907 is at 2.256537 -4.645760 2.321202 ESP Fit Center 7908 is at -0.733211 -3.080751 1.944157 ESP Fit Center 7909 is at -0.576694 -3.458617 1.944157 ESP Fit Center 7910 is at -0.362992 -3.807345 1.944157 ESP Fit Center 7911 is at -0.097369 -4.118351 1.944157 ESP Fit Center 7912 is at 0.213636 -4.383974 1.944157 ESP Fit Center 7913 is at 0.562365 -4.597676 1.944157 ESP Fit Center 7914 is at 0.940231 -4.754193 1.944157 ESP Fit Center 7915 is at 1.337929 -4.849671 1.944157 ESP Fit Center 7916 is at 1.745667 -4.881761 1.944157 ESP Fit Center 7917 is at 2.153405 -4.849671 1.944157 ESP Fit Center 7918 is at 2.551103 -4.754193 1.944157 ESP Fit Center 7919 is at 2.928969 -4.597676 1.944157 ESP Fit Center 7920 is at 3.277698 -4.383974 1.944157 ESP Fit Center 7921 is at -0.600784 -3.670293 1.544261 ESP Fit Center 7922 is at -0.360343 -4.012128 1.544261 ESP Fit Center 7923 is at -0.070538 -4.313254 1.544261 ESP Fit Center 7924 is at 0.261837 -4.566613 1.544261 ESP Fit Center 7925 is at 0.628992 -4.766265 1.544261 ESP Fit Center 7926 is at 1.022321 -4.907532 1.544261 ESP Fit Center 7927 is at 1.432604 -4.987102 1.544261 ESP Fit Center 7928 is at 1.850226 -5.003110 1.544261 ESP Fit Center 7929 is at 2.265396 -4.955180 1.544261 ESP Fit Center 7930 is at 2.668385 -4.844437 1.544261 ESP Fit Center 7931 is at 3.049746 -4.673476 1.544261 ESP Fit Center 7932 is at -0.561333 -3.848200 1.130446 ESP Fit Center 7933 is at -0.301139 -4.174473 1.130446 ESP Fit Center 7934 is at 0.004777 -4.458322 1.130446 ESP Fit Center 7935 is at 0.349582 -4.693405 1.130446 ESP Fit Center 7936 is at 0.725573 -4.874473 1.130446 ESP Fit Center 7937 is at 1.124351 -4.997480 1.130446 ESP Fit Center 7938 is at 1.537008 -5.059678 1.130446 ESP Fit Center 7939 is at 1.954326 -5.059678 1.130446 ESP Fit Center 7940 is at 2.366984 -4.997480 1.130446 ESP Fit Center 7941 is at 2.765762 -4.874473 1.130446 ESP Fit Center 7942 is at -0.561333 -3.848200 0.711958 ESP Fit Center 7943 is at -0.301139 -4.174473 0.711958 ESP Fit Center 7944 is at 0.004777 -4.458322 0.711958 ESP Fit Center 7945 is at 0.349582 -4.693405 0.711958 ESP Fit Center 7946 is at 0.725573 -4.874473 0.711958 ESP Fit Center 7947 is at 1.124351 -4.997480 0.711958 ESP Fit Center 7948 is at 1.537008 -5.059678 0.711958 ESP Fit Center 7949 is at 1.954326 -5.059678 0.711958 ESP Fit Center 7950 is at 2.366984 -4.997480 0.711958 ESP Fit Center 7951 is at -0.360343 -4.012128 0.298143 ESP Fit Center 7952 is at -0.070538 -4.313254 0.298143 ESP Fit Center 7953 is at 0.261837 -4.566613 0.298143 ESP Fit Center 7954 is at 0.628992 -4.766265 0.298143 ESP Fit Center 7955 is at 1.022321 -4.907532 0.298143 ESP Fit Center 7956 is at 1.432604 -4.987102 0.298143 ESP Fit Center 7957 is at 1.850226 -5.003110 0.298143 ESP Fit Center 7958 is at -0.362992 -3.807345 -0.101753 ESP Fit Center 7959 is at -0.097369 -4.118351 -0.101753 ESP Fit Center 7960 is at 0.213636 -4.383974 -0.101753 ESP Fit Center 7961 is at 0.562365 -4.597676 -0.101753 ESP Fit Center 7962 is at 0.940231 -4.754193 -0.101753 ESP Fit Center 7963 is at 1.337929 -4.849671 -0.101753 ESP Fit Center 7964 is at -0.263362 -3.633181 -0.478798 ESP Fit Center 7965 is at -0.004983 -3.953177 -0.478798 ESP Fit Center 7966 is at 0.303758 -4.224904 -0.478798 ESP Fit Center 7967 is at 2.200242 -2.231825 4.212498 ESP Fit Center 7968 is at 2.616997 -2.231825 4.176037 ESP Fit Center 7969 is at 2.408619 -1.870904 4.176037 ESP Fit Center 7970 is at 1.991864 -1.870904 4.176037 ESP Fit Center 7971 is at 1.783486 -2.231825 4.176037 ESP Fit Center 7972 is at 1.991864 -2.592746 4.176037 ESP Fit Center 7973 is at 2.408619 -2.592746 4.176037 ESP Fit Center 7974 is at 3.021090 -2.231825 4.067760 ESP Fit Center 7975 is at 2.911117 -1.821401 4.067760 ESP Fit Center 7976 is at 2.610666 -1.520949 4.067760 ESP Fit Center 7977 is at 2.200242 -1.410977 4.067760 ESP Fit Center 7978 is at 1.789817 -1.520949 4.067760 ESP Fit Center 7979 is at 1.489366 -1.821401 4.067760 ESP Fit Center 7980 is at 1.379393 -2.231825 4.067760 ESP Fit Center 7981 is at 1.489366 -2.642249 4.067760 ESP Fit Center 7982 is at 1.789817 -2.942701 4.067760 ESP Fit Center 7983 is at 2.200242 -3.052673 4.067760 ESP Fit Center 7984 is at 2.610666 -2.942701 4.067760 ESP Fit Center 7985 is at 2.911117 -2.642249 4.067760 ESP Fit Center 7986 is at 3.400242 -2.231825 3.890959 ESP Fit Center 7987 is at 3.327873 -1.821401 3.890959 ESP Fit Center 7988 is at 3.119495 -1.460480 3.890959 ESP Fit Center 7989 is at 2.800242 -1.192595 3.890959 ESP Fit Center 7990 is at 2.408619 -1.050056 3.890959 ESP Fit Center 7991 is at 1.991864 -1.050056 3.890959 ESP Fit Center 7992 is at 1.600242 -1.192595 3.890959 ESP Fit Center 7993 is at 1.280988 -1.460480 3.890959 ESP Fit Center 7994 is at 1.072610 -1.821401 3.890959 ESP Fit Center 7995 is at 1.000242 -2.231825 3.890959 ESP Fit Center 7996 is at 1.072610 -2.642249 3.890959 ESP Fit Center 7997 is at 1.280988 -3.003170 3.890959 ESP Fit Center 7998 is at 1.600242 -3.271055 3.890959 ESP Fit Center 7999 is at 1.991864 -3.413594 3.890959 ESP Fit Center 8000 is at 2.408619 -3.413594 3.890959 ESP Fit Center 8001 is at 2.800242 -3.271055 3.890959 ESP Fit Center 8002 is at 3.119495 -3.003170 3.890959 ESP Fit Center 8003 is at 3.327873 -2.642249 3.890959 ESP Fit Center 8004 is at 3.742932 -2.231825 3.651005 ESP Fit Center 8005 is at 3.685725 -1.815612 3.651005 ESP Fit Center 8006 is at 3.518346 -1.430268 3.651005 ESP Fit Center 8007 is at 3.253210 -1.104371 3.651005 ESP Fit Center 8008 is at 2.909979 -0.862093 3.651005 ESP Fit Center 8009 is at 2.514111 -0.721402 3.651005 ESP Fit Center 8010 is at 2.094965 -0.692731 3.651005 ESP Fit Center 8011 is at 1.683626 -0.778208 3.651005 ESP Fit Center 8012 is at 1.310602 -0.971493 3.651005 ESP Fit Center 8013 is at 1.003559 -1.258252 3.651005 ESP Fit Center 8014 is at 0.785269 -1.617216 3.651005 ESP Fit Center 8015 is at 0.671920 -2.021762 3.651005 ESP Fit Center 8016 is at 0.671920 -2.441888 3.651005 ESP Fit Center 8017 is at 0.785269 -2.846434 3.651005 ESP Fit Center 8018 is at 1.003559 -3.205398 3.651005 ESP Fit Center 8019 is at 1.310602 -3.492156 3.651005 ESP Fit Center 8020 is at 1.683626 -3.685442 3.651005 ESP Fit Center 8021 is at 2.094965 -3.770919 3.651005 ESP Fit Center 8022 is at 2.514111 -3.742248 3.651005 ESP Fit Center 8023 is at 2.909979 -3.601557 3.651005 ESP Fit Center 8024 is at 3.253210 -3.359279 3.651005 ESP Fit Center 8025 is at 3.518346 -3.033382 3.651005 ESP Fit Center 8026 is at 3.685725 -2.648038 3.651005 ESP Fit Center 8027 is at 4.038748 -2.231825 3.355188 ESP Fit Center 8028 is at 3.989191 -1.807836 3.355188 ESP Fit Center 8029 is at 3.843191 -1.406705 3.355188 ESP Fit Center 8030 is at 0.472610 -1.603019 3.355188 ESP Fit Center 8031 is at 0.374166 -2.018387 3.355188 ESP Fit Center 8032 is at 0.472610 -2.860631 3.355188 ESP Fit Center 8033 is at 0.664192 -3.242101 3.355188 ESP Fit Center 8034 is at 0.938582 -3.569106 3.355188 ESP Fit Center 8035 is at 1.280988 -3.824018 3.355188 ESP Fit Center 8036 is at 1.672952 -3.993095 3.355188 ESP Fit Center 8037 is at 2.093342 -4.067221 3.355188 ESP Fit Center 8038 is at 2.519495 -4.042401 3.355188 ESP Fit Center 8039 is at 2.928437 -3.919971 3.355188 ESP Fit Center 8040 is at 3.298122 -3.706534 3.355188 ESP Fit Center 8041 is at 3.608619 -3.413594 3.355188 ESP Fit Center 8042 is at 3.843191 -3.056945 3.355188 ESP Fit Center 8043 is at 3.989191 -2.655814 3.355188 ESP Fit Center 8044 is at 4.278703 -2.231825 3.012498 ESP Fit Center 8045 is at 1.284900 -4.097877 3.012498 ESP Fit Center 8046 is at 1.679270 -4.243936 3.012498 ESP Fit Center 8047 is at 2.094969 -4.307618 3.012498 ESP Fit Center 8048 is at 2.514978 -4.286318 3.012498 ESP Fit Center 8049 is at 2.922102 -4.180906 3.012498 ESP Fit Center 8050 is at 3.299673 -3.995699 3.012498 ESP Fit Center 8051 is at 3.632232 -3.738279 3.012498 ESP Fit Center 8052 is at 3.906166 -3.419184 3.012498 ESP Fit Center 8053 is at 4.110260 -3.051478 3.012498 ESP Fit Center 8054 is at 4.236156 -2.650216 3.012498 ESP Fit Center 8055 is at 2.307551 -4.484533 2.633346 ESP Fit Center 8056 is at 2.731940 -4.423515 2.633346 ESP Fit Center 8057 is at 3.137111 -4.283284 2.633346 ESP Fit Center 8058 is at 3.508422 -4.068907 2.633346 ESP Fit Center 8059 is at 3.832452 -3.788134 2.633346 ESP Fit Center 8060 is at 4.097489 -3.451112 2.633346 ESP Fit Center 8061 is at 4.293955 -3.070021 2.633346 ESP Fit Center 8062 is at 2.930615 -4.479684 2.229254 ESP Fit Center 8063 is at 3.320248 -4.313147 2.229254 ESP Fit Center 8064 is at 3.673884 -4.079714 2.229254 ESP Fit Center 8065 is at 3.980155 -3.786889 2.229254 ESP Fit Center 8066 is at -2.520829 -3.897999 -1.600241 ESP Fit Center 8067 is at -2.141677 -3.721198 -1.600241 ESP Fit Center 8068 is at -1.798987 -3.481243 -1.600241 ESP Fit Center 8069 is at -3.024412 -3.984885 -2.016997 ESP Fit Center 8070 is at -2.611304 -3.890595 -2.016997 ESP Fit Center 8071 is at -2.221671 -3.724058 -2.016997 ESP Fit Center 8072 is at -1.868035 -3.490626 -2.016997 ESP Fit Center 8073 is at -1.561764 -3.197800 -2.016997 ESP Fit Center 8074 is at -1.312701 -2.854994 -2.016997 ESP Fit Center 8075 is at -3.662635 -3.875044 -2.421090 ESP Fit Center 8076 is at -3.234368 -3.895445 -2.421090 ESP Fit Center 8077 is at -2.809979 -3.834427 -2.421090 ESP Fit Center 8078 is at -2.404808 -3.694195 -2.421090 ESP Fit Center 8079 is at -2.033497 -3.479819 -2.421090 ESP Fit Center 8080 is at -1.709467 -3.199046 -2.421090 ESP Fit Center 8081 is at -1.444430 -2.862024 -2.421090 ESP Fit Center 8082 is at -1.247964 -2.480933 -2.421090 ESP Fit Center 8083 is at -4.257020 -3.508788 -2.800241 ESP Fit Center 8084 is at -3.862649 -3.654847 -2.800241 ESP Fit Center 8085 is at -3.446950 -3.718530 -2.800241 ESP Fit Center 8086 is at -3.026941 -3.697230 -2.800241 ESP Fit Center 8087 is at -2.619817 -3.591818 -2.800241 ESP Fit Center 8088 is at -2.242246 -3.406611 -2.800241 ESP Fit Center 8089 is at -1.909687 -3.149190 -2.800241 ESP Fit Center 8090 is at -1.635753 -2.830095 -2.800241 ESP Fit Center 8091 is at -1.431660 -2.462390 -2.800241 ESP Fit Center 8092 is at -1.305763 -2.061128 -2.800241 ESP Fit Center 8093 is at -1.503171 -1.642737 -3.142932 ESP Fit Center 8094 is at -1.552728 -1.218748 -3.142932 ESP Fit Center 8095 is at -4.877727 -2.653013 -3.142932 ESP Fit Center 8096 is at -4.603337 -2.980018 -3.142932 ESP Fit Center 8097 is at -4.260931 -3.234930 -3.142932 ESP Fit Center 8098 is at -3.868967 -3.404007 -3.142932 ESP Fit Center 8099 is at -3.448577 -3.478133 -3.142932 ESP Fit Center 8100 is at -3.022424 -3.453312 -3.142932 ESP Fit Center 8101 is at -2.613482 -3.330883 -3.142932 ESP Fit Center 8102 is at -2.243797 -3.117446 -3.142932 ESP Fit Center 8103 is at -1.933300 -2.824506 -3.142932 ESP Fit Center 8104 is at -1.698728 -2.467857 -3.142932 ESP Fit Center 8105 is at -1.552728 -2.066726 -3.142932 ESP Fit Center 8106 is at -1.798987 -1.642737 -3.438748 ESP Fit Center 8107 is at -1.856194 -1.226524 -3.438748 ESP Fit Center 8108 is at -2.023573 -0.841180 -3.438748 ESP Fit Center 8109 is at -2.288709 -0.515283 -3.438748 ESP Fit Center 8110 is at -3.858293 -0.189120 -3.438748 ESP Fit Center 8111 is at -4.231317 -0.382405 -3.438748 ESP Fit Center 8112 is at -4.538360 -0.669163 -3.438748 ESP Fit Center 8113 is at -4.756650 -1.028127 -3.438748 ESP Fit Center 8114 is at -4.869999 -1.432674 -3.438748 ESP Fit Center 8115 is at -4.869999 -1.852800 -3.438748 ESP Fit Center 8116 is at -4.756650 -2.257346 -3.438748 ESP Fit Center 8117 is at -4.538360 -2.616310 -3.438748 ESP Fit Center 8118 is at -4.231317 -2.903068 -3.438748 ESP Fit Center 8119 is at -3.858293 -3.096353 -3.438748 ESP Fit Center 8120 is at -3.446954 -3.181831 -3.438748 ESP Fit Center 8121 is at -3.027808 -3.153160 -3.438748 ESP Fit Center 8122 is at -2.631940 -3.012469 -3.438748 ESP Fit Center 8123 is at -2.288709 -2.770190 -3.438748 ESP Fit Center 8124 is at -2.023573 -2.444294 -3.438748 ESP Fit Center 8125 is at -1.856194 -2.058950 -3.438748 ESP Fit Center 8126 is at -2.141677 -1.642737 -3.678702 ESP Fit Center 8127 is at -2.214046 -1.232313 -3.678702 ESP Fit Center 8128 is at -2.422424 -0.871392 -3.678702 ESP Fit Center 8129 is at -2.741677 -0.603506 -3.678702 ESP Fit Center 8130 is at -3.133300 -0.460967 -3.678702 ESP Fit Center 8131 is at -3.550055 -0.460967 -3.678702 ESP Fit Center 8132 is at -3.941677 -0.603506 -3.678702 ESP Fit Center 8133 is at -4.260931 -0.871392 -3.678702 ESP Fit Center 8134 is at -4.469309 -1.232313 -3.678702 ESP Fit Center 8135 is at -4.541677 -1.642737 -3.678702 ESP Fit Center 8136 is at -4.469309 -2.053161 -3.678702 ESP Fit Center 8137 is at -4.260931 -2.414082 -3.678702 ESP Fit Center 8138 is at -3.941677 -2.681967 -3.678702 ESP Fit Center 8139 is at -3.550055 -2.824506 -3.678702 ESP Fit Center 8140 is at -3.133300 -2.824506 -3.678702 ESP Fit Center 8141 is at -2.741677 -2.681967 -3.678702 ESP Fit Center 8142 is at -2.422424 -2.414082 -3.678702 ESP Fit Center 8143 is at -2.214046 -2.053161 -3.678702 ESP Fit Center 8144 is at -2.520829 -1.642737 -3.855504 ESP Fit Center 8145 is at -2.630802 -1.232313 -3.855504 ESP Fit Center 8146 is at -2.931253 -0.931861 -3.855504 ESP Fit Center 8147 is at -3.341677 -0.821888 -3.855504 ESP Fit Center 8148 is at -3.752102 -0.931861 -3.855504 ESP Fit Center 8149 is at -4.052553 -1.232313 -3.855504 ESP Fit Center 8150 is at -4.162526 -1.642737 -3.855504 ESP Fit Center 8151 is at -4.052553 -2.053161 -3.855504 ESP Fit Center 8152 is at -3.752102 -2.353612 -3.855504 ESP Fit Center 8153 is at -3.341677 -2.463585 -3.855504 ESP Fit Center 8154 is at -2.931253 -2.353612 -3.855504 ESP Fit Center 8155 is at -2.630802 -2.053161 -3.855504 ESP Fit Center 8156 is at -2.924922 -1.642737 -3.963780 ESP Fit Center 8157 is at -3.133300 -1.281816 -3.963780 ESP Fit Center 8158 is at -3.550055 -1.281816 -3.963780 ESP Fit Center 8159 is at -3.758433 -1.642737 -3.963780 ESP Fit Center 8160 is at -3.550055 -2.003658 -3.963780 ESP Fit Center 8161 is at -3.133300 -2.003658 -3.963780 ESP Fit Center 8162 is at -3.341677 -1.642737 -4.000241 Entering OneElI... OneElI was handed 2147316299 working-precision words. Calculate electrostatic properties NBasis = 287 MinDer = 0 MaxDer = 0 NGrid = 8162 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 28.92 SMaxX= 14.75 Shift= 7.325846 4.299722 3.024018 Box 1 Number 0 centers from 1 to 94: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.89D+01 RnKept= 1.36D+01 NSMCal= 4465 NSMKep= 2318 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178742924 working-precision words and 2318 shell-pairs PRISM was handed 178742924 working-precision words and 2318 shell-pairs PRISM was handed 178742924 working-precision words and 2318 shell-pairs PRISM was handed 178742924 working-precision words and 2318 shell-pairs PRISM was handed 178742924 working-precision words and 2318 shell-pairs PRISM was handed 178742924 working-precision words and 2318 shell-pairs PRISM was handed 178742924 working-precision words and 2318 shell-pairs PRISM was handed 178742924 working-precision words and 2318 shell-pairs PRISM was handed 178742924 working-precision words and 2318 shell-pairs PRISM was handed 178742924 working-precision words and 2318 shell-pairs PRISM was handed 178742924 working-precision words and 2318 shell-pairs PRISM was handed 178742924 working-precision words and 2318 shell-pairs IPart= 4 NShTot= 1607914 NBatch= 1654 AvBLen= 972.1 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 10 NShTot= 1460998 NBatch= 1447 AvBLen= 1009.7 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 9 NShTot= 1501808 NBatch= 1520 AvBLen= 988.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 1 NShTot= 1730344 NBatch= 1919 AvBLen= 901.7 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 0 NShTot= 1762992 NBatch= 1971 AvBLen= 894.5 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 8 NShTot= 1518132 NBatch= 1541 AvBLen= 985.2 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 2 NShTot= 1665048 NBatch= 1735 AvBLen= 959.7 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 3 NShTot= 1624238 NBatch= 1667 AvBLen= 974.3 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 11 NShTot= 1420188 NBatch= 1403 AvBLen= 1012.3 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 7 NShTot= 1518132 NBatch= 1541 AvBLen= 985.2 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 6 NShTot= 1542618 NBatch= 1567 AvBLen= 984.4 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 5 NShTot= 1567104 NBatch= 1589 AvBLen= 986.2 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 8133 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00158 RRMS= 0.00744: ESP charges: 1 1 P 1.356387 2 O -0.905624 3 O -0.962609 4 O -0.722164 5 C -0.783946 6 H 0.249936 7 C 0.068527 8 H 0.163321 9 C 0.284092 10 H 0.126074 11 O -0.672802 12 C 0.733037 13 H -0.036877 14 C -0.534814 15 C 0.497230 16 H 0.014858 17 C -0.625562 18 H 0.198733 19 H 0.112830 20 O -0.637633 21 H 0.086131 22 H 0.130614 23 H 0.101271 24 P 1.403935 25 O -0.869709 26 O -0.870626 27 O -0.710253 28 H 0.399313 29 H 0.406329 Sum of ESP charges = -2.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 P 1.356387 2 O -0.905624 3 O -0.962609 4 O -0.315835 5 C -0.534010 7 C 0.231849 9 C 0.410167 11 O -0.672802 12 C 0.696160 14 C -0.216797 15 C 0.512088 17 C -0.313999 20 O -0.637633 24 P 1.403935 25 O -0.869709 26 O -0.870626 27 O -0.310940 Charge= -2.00000 Dipole= 8.2005 4.2915 1.7078 Tot= 9.4118 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -54.367218 2 Atom -22.717778 3 Atom -22.734184 4 Atom -22.547790 5 Atom -15.040548 6 Atom -1.337208 7 Atom -14.973260 8 Atom -1.346976 9 Atom -14.934404 10 Atom -1.347945 11 Atom -22.533934 12 Atom -14.876240 13 Atom -1.341207 14 Atom -14.911551 15 Atom -14.897441 16 Atom -1.338858 17 Atom -14.938045 18 Atom -1.318549 19 Atom -1.316280 20 Atom -22.533963 21 Atom -1.290730 22 Atom -1.302159 23 Atom -1.299731 24 Atom -54.299637 25 Atom -22.649512 26 Atom -22.681947 27 Atom -22.520464 28 Atom -1.173013 29 Atom -1.199420 30 Fit -0.271251 31 Fit -0.274424 32 Fit -0.279606 33 Fit -0.288443 34 Fit -0.302887 35 Fit -0.279963 36 Fit -0.272902 37 Fit -0.270381 38 Fit -0.265588 39 Fit -0.274546 40 Fit -0.289927 41 Fit -0.309799 42 Fit -0.331044 43 Fit -0.284655 44 Fit -0.269557 45 Fit -0.259148 46 Fit -0.253184 47 Fit -0.265752 48 Fit -0.284494 49 Fit -0.306287 50 Fit -0.327481 51 Fit -0.344981 52 Fit -0.357329 53 Fit -0.296223 54 Fit -0.278955 55 Fit -0.263605 56 Fit -0.251320 57 Fit -0.242509 58 Fit -0.267304 59 Fit -0.292720 60 Fit -0.360295 61 Fit -0.307235 62 Fit -0.295071 63 Fit -0.281144 64 Fit -0.266364 65 Fit -0.252329 66 Fit -0.240558 67 Fit -0.231621 68 Fit -0.344181 69 Fit -0.332560 70 Fit -0.323981 71 Fit -0.317939 72 Fit -0.313599 73 Fit -0.310159 74 Fit -0.306944 75 Fit -0.266602 76 Fit -0.251700 77 Fit -0.238176 78 Fit -0.227540 79 Fit -0.330847 80 Fit -0.315536 81 Fit -0.305423 82 Fit -0.299767 83 Fit -0.297583 84 Fit -0.231874 85 Fit -0.220825 86 Fit -0.310291 87 Fit -0.298026 88 Fit -0.292647 89 Fit -0.218182 90 Fit -0.320538 91 Fit -0.301817 92 Fit -0.292901 93 Fit -0.216291 94 Fit -0.302751 95 Fit -0.296602 96 Fit -0.268551 97 Fit -0.276757 98 Fit -0.208450 99 Fit -0.229791 100 Fit -0.251873 101 Fit -0.271781 102 Fit -0.259729 103 Fit -0.229592 104 Fit -0.238247 105 Fit -0.294093 106 Fit -0.295802 107 Fit -0.296038 108 Fit -0.294734 109 Fit -0.293127 110 Fit -0.293251 111 Fit -0.294613 112 Fit -0.297745 113 Fit -0.298543 114 Fit -0.298945 115 Fit -0.298443 116 Fit -0.296854 117 Fit -0.294793 118 Fit -0.293262 119 Fit -0.292875 120 Fit -0.293539 121 Fit -0.294705 122 Fit -0.295863 123 Fit -0.296850 124 Fit -0.299278 125 Fit -0.300412 126 Fit -0.301672 127 Fit -0.302706 128 Fit -0.302936 129 Fit -0.301949 130 Fit -0.299911 131 Fit -0.297482 132 Fit -0.295415 133 Fit -0.294217 134 Fit -0.294009 135 Fit -0.294577 136 Fit -0.295519 137 Fit -0.296455 138 Fit -0.297189 139 Fit -0.297772 140 Fit -0.298407 141 Fit -0.299625 142 Fit -0.301081 143 Fit -0.302958 144 Fit -0.305160 145 Fit -0.307284 146 Fit -0.308613 147 Fit -0.308570 148 Fit -0.307095 149 Fit -0.304623 150 Fit -0.301812 151 Fit -0.299278 152 Fit -0.297433 153 Fit -0.296445 154 Fit -0.296258 155 Fit -0.296645 156 Fit -0.297287 157 Fit -0.297875 158 Fit -0.298205 159 Fit -0.298250 160 Fit -0.298163 161 Fit -0.298211 162 Fit -0.298656 163 Fit -0.297878 164 Fit -0.299901 165 Fit -0.302533 166 Fit -0.305989 167 Fit -0.310125 168 Fit -0.313991 169 Fit -0.316397 170 Fit -0.316688 171 Fit -0.314987 172 Fit -0.311954 173 Fit -0.308409 174 Fit -0.305057 175 Fit -0.302367 176 Fit -0.300560 177 Fit -0.299639 178 Fit -0.299437 179 Fit -0.299666 180 Fit -0.299977 181 Fit -0.300041 182 Fit -0.299642 183 Fit -0.298763 184 Fit -0.297609 185 Fit -0.296574 186 Fit -0.296112 187 Fit -0.296540 188 Fit -0.310090 189 Fit -0.317449 190 Fit -0.323724 191 Fit -0.327310 192 Fit -0.327710 193 Fit -0.325431 194 Fit -0.321490 195 Fit -0.316929 196 Fit -0.312559 197 Fit -0.308889 198 Fit -0.306159 199 Fit -0.304406 200 Fit -0.303502 201 Fit -0.303201 202 Fit -0.303165 203 Fit -0.303006 204 Fit -0.302350 205 Fit -0.300931 206 Fit -0.298698 207 Fit -0.295884 208 Fit -0.293007 209 Fit -0.290792 210 Fit -0.341564 211 Fit -0.343687 212 Fit -0.341102 213 Fit -0.335633 214 Fit -0.329071 215 Fit -0.322702 216 Fit -0.317264 217 Fit -0.313077 218 Fit -0.310185 219 Fit -0.308444 220 Fit -0.307576 221 Fit -0.307187 222 Fit -0.306783 223 Fit -0.305800 224 Fit -0.303692 225 Fit -0.300087 226 Fit -0.294989 227 Fit -0.362129 228 Fit -0.352431 229 Fit -0.341829 230 Fit -0.332263 231 Fit -0.324557 232 Fit -0.318892 233 Fit -0.315122 234 Fit -0.312930 235 Fit -0.311872 236 Fit -0.311376 237 Fit -0.310709 238 Fit -0.308957 239 Fit -0.337555 240 Fit -0.327767 241 Fit -0.321373 242 Fit -0.317720 243 Fit -0.316093 244 Fit -0.315671 245 Fit -0.340185 246 Fit -0.351912 247 Fit -0.315782 248 Fit -0.322640 249 Fit -0.329991 250 Fit -0.339236 251 Fit -0.351935 252 Fit -0.296270 253 Fit -0.304134 254 Fit -0.310337 255 Fit -0.315825 256 Fit -0.321659 257 Fit -0.328627 258 Fit -0.337269 259 Fit -0.348121 260 Fit -0.290092 261 Fit -0.297880 262 Fit -0.303357 263 Fit -0.307944 264 Fit 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------------------------------------------------------------------- Center Atomic Forces (Hartrees/Bohr) Number Number X Y Z ------------------------------------------------------------------- 1 15 0.002868426 -0.244057018 -0.358391309 2 8 -0.031095767 0.041145590 0.053849398 3 8 -0.023157769 0.022113544 -0.000830051 4 8 -0.084595732 0.060495316 0.050808385 5 6 0.082916557 0.095990577 0.241377911 6 1 0.002858415 0.004829736 0.008238363 7 6 -0.014550453 0.004049845 -0.013659122 8 1 -0.005675202 -0.008340680 -0.005006986 9 6 0.008654519 -0.011631181 0.044279830 10 1 0.008412061 -0.013781541 0.023844106 11 8 0.038519158 0.024943216 -0.036416046 12 6 -0.006365854 -0.008569861 0.001398833 13 1 -0.006177825 -0.016534971 -0.007717778 14 6 -0.016848405 0.007231048 -0.000441000 15 6 -0.000558900 -0.013911104 -0.035556955 16 1 -0.004923504 -0.021301271 0.005433262 17 6 0.004250288 0.001404811 0.023937866 18 1 0.004778107 0.004826268 0.006464596 19 1 -0.003502239 0.001062083 0.003865823 20 8 0.044455844 0.010618237 0.024768119 21 1 -0.010639935 0.000844394 0.001301361 22 1 0.005618630 0.002348642 0.009222551 23 1 0.004508217 -0.000172608 -0.010026127 24 15 -0.064580744 -0.003496288 0.071779178 25 8 0.059017191 0.016092315 0.036988719 26 8 -0.066174505 -0.009342799 0.001653562 27 8 0.099230045 0.062454216 -0.083547771 28 1 -0.047546904 -0.003409655 -0.003623624 29 1 0.020306278 -0.005900861 -0.053995096 ------------------------------------------------------------------- Cartesian Forces: Max 0.358391309 RMS 0.062631443 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.352319945 RMS 0.039702267 Search for a local minimum. Step number 1 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Second derivative matrix not updated -- first step. ITU= 0 Eigenvalues --- 0.00230 0.00522 0.00827 0.01903 0.02267 Eigenvalues --- 0.02367 0.02684 0.03071 0.03619 0.03708 Eigenvalues --- 0.04064 0.04246 0.04419 0.04483 0.04670 Eigenvalues --- 0.05317 0.05386 0.05543 0.05678 0.05721 Eigenvalues --- 0.05956 0.06044 0.06503 0.06980 0.07197 Eigenvalues --- 0.07825 0.08807 0.10674 0.11086 0.13287 Eigenvalues --- 0.14205 0.14939 0.15144 0.15994 0.16000 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16000 Eigenvalues --- 0.16461 0.17381 0.18176 0.19199 0.19886 Eigenvalues --- 0.22000 0.22001 0.22003 0.22470 0.25000 Eigenvalues --- 0.25000 0.25000 0.25369 0.27713 0.28281 Eigenvalues --- 0.28825 0.30408 0.33485 0.33524 0.33616 Eigenvalues --- 0.33628 0.33663 0.34030 0.34451 0.34604 Eigenvalues --- 0.36030 0.37375 0.39325 0.43372 0.45311 Eigenvalues --- 0.47431 0.53655 0.54354 0.57787 0.60524 Eigenvalues --- 0.62052 0.65259 0.70681 0.81473 1.00026 Eigenvalues --- 1.01446 RFO step: Lambda=-2.93391011D-01 EMin= 2.30000000D-03 Linear search not attempted -- first point. Maximum step size ( 0.300) exceeded in Quadratic search. -- Step size scaled by 0.511 Iteration 1 RMS(Cart)= 0.13873743 RMS(Int)= 0.00383555 Iteration 2 RMS(Cart)= 0.00678773 RMS(Int)= 0.00025712 Iteration 3 RMS(Cart)= 0.00003545 RMS(Int)= 0.00025672 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00025672 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.96436 -0.06031 0.00000 -0.03540 -0.03540 2.92896 R2 2.90707 -0.01676 0.00000 -0.00906 -0.00906 2.89800 R3 2.93052 0.08100 0.00000 0.04533 0.04533 2.97585 R4 2.80831 0.35232 0.00000 0.16261 0.16261 2.97092 R5 1.91616 -0.05726 0.00000 -0.03923 -0.03923 1.87693 R6 2.01985 0.00680 0.00000 0.00521 0.00521 2.02506 R7 2.50528 0.02525 0.00000 0.01437 0.01437 2.51965 R8 1.99181 0.01026 0.00000 0.00764 0.00764 1.99946 R9 2.67213 0.09465 0.00000 0.06657 0.06657 2.73871 R10 2.04034 -0.00786 0.00000 -0.00615 -0.00615 2.03419 R11 2.85534 -0.03091 0.00000 -0.02666 -0.02666 2.82869 R12 2.85925 0.03460 0.00000 0.03080 0.03069 2.88994 R13 2.79280 -0.03595 0.00000 -0.03004 -0.02994 2.76286 R14 2.07962 -0.01733 0.00000 -0.01407 -0.01407 2.06555 R15 2.91528 -0.01425 0.00000 -0.01265 -0.01265 2.90263 R16 2.92954 -0.01556 0.00000 -0.01359 -0.01357 2.91597 R17 2.08208 -0.01073 0.00000 -0.00873 -0.00873 2.07334 R18 2.07984 -0.01035 0.00000 -0.00841 -0.00841 2.07143 R19 2.08141 -0.01029 0.00000 -0.00837 -0.00837 2.07304 R20 2.07280 -0.01860 0.00000 -0.01501 -0.01501 2.05779 R21 2.89095 0.00935 0.00000 0.00827 0.00826 2.89921 R22 2.56347 0.07986 0.00000 0.04921 0.04921 2.61269 R23 2.06575 -0.00925 0.00000 -0.00741 -0.00741 2.05833 R24 2.06323 -0.00380 0.00000 -0.00304 -0.00304 2.06019 R25 2.99411 0.06792 0.00000 0.04151 0.04151 3.03561 R26 2.71765 0.05853 0.00000 0.02289 0.02289 2.74054 R27 2.72328 0.06674 0.00000 0.02638 0.02638 2.74967 R28 2.87070 0.11191 0.00000 0.05722 0.05722 2.92793 R29 1.89250 -0.04699 0.00000 -0.03131 -0.03131 1.86119 A1 1.82872 0.02941 0.00000 0.03825 0.03836 1.86708 A2 1.87000 0.01141 0.00000 0.00512 0.00361 1.87362 A3 2.07680 -0.02496 0.00000 -0.02726 -0.02816 2.04865 A4 1.89305 -0.00867 0.00000 -0.00791 -0.00741 1.88563 A5 1.83620 0.03947 0.00000 0.04282 0.04299 1.87919 A6 1.94861 -0.04088 0.00000 -0.04378 -0.04456 1.90405 A7 1.82811 0.01591 0.00000 0.01795 0.01795 1.84606 A8 2.13722 -0.02480 0.00000 -0.02371 -0.02371 2.11350 A9 2.00698 0.06453 0.00000 0.06429 0.06428 2.07127 A10 2.13848 -0.03965 0.00000 -0.04047 -0.04047 2.09801 A11 2.11330 -0.02282 0.00000 -0.02324 -0.02324 2.09005 A12 2.04577 0.03796 0.00000 0.03781 0.03781 2.08358 A13 2.12412 -0.01514 0.00000 -0.01457 -0.01458 2.10954 A14 1.83979 0.00086 0.00000 0.00503 0.00462 1.84441 A15 1.98989 -0.02141 0.00000 -0.02542 -0.02530 1.96459 A16 1.83033 0.04122 0.00000 0.04505 0.04504 1.87537 A17 2.02071 -0.00026 0.00000 -0.00624 -0.00635 2.01437 A18 1.95386 -0.00335 0.00000 -0.00276 -0.00312 1.95074 A19 1.82262 -0.01272 0.00000 -0.01048 -0.01035 1.81227 A20 1.80640 0.03115 0.00000 0.02923 0.02918 1.83558 A21 1.86794 0.00442 0.00000 0.00368 0.00369 1.87163 A22 1.99052 -0.00519 0.00000 -0.00614 -0.00611 1.98441 A23 1.82863 -0.01086 0.00000 -0.01109 -0.01108 1.81756 A24 1.92301 -0.00399 0.00000 -0.00335 -0.00340 1.91961 A25 1.85519 -0.00114 0.00000 0.00072 0.00069 1.85588 A26 1.98901 0.01637 0.00000 0.01591 0.01592 2.00493 A27 1.91421 -0.00148 0.00000 -0.00175 -0.00175 1.91245 A28 1.90763 0.00495 0.00000 0.00567 0.00566 1.91328 A29 1.91441 0.00481 0.00000 0.00543 0.00542 1.91983 A30 1.90840 -0.00178 0.00000 -0.00202 -0.00202 1.90639 A31 1.90914 -0.00225 0.00000 -0.00269 -0.00269 1.90645 A32 1.91000 -0.00427 0.00000 -0.00466 -0.00468 1.90533 A33 2.00028 0.00437 0.00000 0.00385 0.00380 2.00408 A34 1.70770 -0.01861 0.00000 -0.01681 -0.01679 1.69091 A35 1.92196 0.02626 0.00000 0.03188 0.03171 1.95367 A36 2.02922 0.00432 0.00000 0.00121 0.00120 2.03041 A37 1.88256 -0.00593 0.00000 -0.00485 -0.00515 1.87741 A38 1.91672 -0.00939 0.00000 -0.01404 -0.01378 1.90295 A39 1.65279 0.01468 0.00000 0.01724 0.01715 1.66994 A40 1.96067 -0.01082 0.00000 -0.01261 -0.01260 1.94806 A41 1.97976 0.00155 0.00000 0.00229 0.00231 1.98207 A42 1.95290 -0.00715 0.00000 -0.00973 -0.00962 1.94328 A43 2.00634 -0.00174 0.00000 -0.00010 -0.00019 2.00615 A44 1.90284 0.00354 0.00000 0.00314 0.00311 1.90595 A45 1.96180 0.12529 0.00000 0.11792 0.11792 2.07973 A46 1.99073 -0.04243 0.00000 -0.04661 -0.04724 1.94350 A47 1.90397 0.01899 0.00000 0.02227 0.02221 1.92618 A48 1.78735 -0.00335 0.00000 -0.00656 -0.00724 1.78011 A49 1.99910 0.02454 0.00000 0.02827 0.02846 2.02757 A50 1.99162 -0.01796 0.00000 -0.02186 -0.02275 1.96887 A51 1.76726 0.02537 0.00000 0.02998 0.02981 1.79706 A52 1.88199 0.01617 0.00000 0.01824 0.01824 1.90024 D1 -2.94639 0.02786 0.00000 0.03254 0.03239 -2.91400 D2 1.37143 -0.00762 0.00000 -0.01042 -0.01028 1.36115 D3 -0.64389 -0.02744 0.00000 -0.03313 -0.03312 -0.67702 D4 1.20032 -0.03398 0.00000 -0.04342 -0.04287 1.15745 D5 -1.97472 -0.03205 0.00000 -0.04050 -0.03993 -2.01465 D6 -3.04215 0.01916 0.00000 0.02226 0.02245 -3.01970 D7 0.06600 0.02110 0.00000 0.02518 0.02539 0.09139 D8 -0.99226 0.01111 0.00000 0.01560 0.01482 -0.97744 D9 2.11589 0.01305 0.00000 0.01851 0.01776 2.13365 D10 0.02569 -0.00498 0.00000 -0.00775 -0.00773 0.01796 D11 -3.11348 -0.00315 0.00000 -0.00479 -0.00478 -3.11826 D12 3.13381 -0.00272 0.00000 -0.00447 -0.00448 3.12933 D13 -0.00536 -0.00089 0.00000 -0.00152 -0.00154 -0.00690 D14 0.97391 0.00707 0.00000 0.00908 0.00921 0.98311 D15 -3.07398 -0.00756 0.00000 -0.01287 -0.01266 -3.08664 D16 -1.09111 -0.00834 0.00000 -0.01061 -0.01097 -1.10207 D17 -2.16524 0.00891 0.00000 0.01206 0.01220 -2.15305 D18 0.07005 -0.00571 0.00000 -0.00989 -0.00967 0.06038 D19 2.05293 -0.00649 0.00000 -0.00763 -0.00798 2.04495 D20 1.72418 0.02056 0.00000 0.02403 0.02400 1.74817 D21 -2.41986 0.00319 0.00000 0.00400 0.00412 -2.41574 D22 -0.26328 -0.01079 0.00000 -0.01132 -0.01135 -0.27463 D23 0.86209 0.00132 0.00000 -0.00104 -0.00107 0.86102 D24 -1.29639 0.00605 0.00000 0.00649 0.00646 -1.28993 D25 2.98807 0.01679 0.00000 0.01977 0.01994 3.00801 D26 -1.12400 -0.02111 0.00000 -0.03077 -0.03087 -1.15487 D27 3.00071 -0.01638 0.00000 -0.02324 -0.02334 2.97737 D28 1.00198 -0.00564 0.00000 -0.00996 -0.00986 0.99213 D29 2.96002 -0.01003 0.00000 -0.01417 -0.01423 2.94579 D30 0.80155 -0.00530 0.00000 -0.00663 -0.00670 0.79484 D31 -1.19718 0.00544 0.00000 0.00664 0.00678 -1.19040 D32 1.59023 0.00838 0.00000 0.01300 0.01303 1.60326 D33 -2.56152 0.00316 0.00000 0.00746 0.00745 -2.55407 D34 -0.37493 0.01263 0.00000 0.01557 0.01564 -0.35929 D35 3.14022 -0.00141 0.00000 -0.00133 -0.00136 3.13886 D36 1.04821 -0.00136 0.00000 -0.00127 -0.00129 1.04693 D37 -1.04587 -0.00211 0.00000 -0.00236 -0.00239 -1.04827 D38 -1.04209 -0.00218 0.00000 -0.00325 -0.00324 -1.04533 D39 -3.13409 -0.00214 0.00000 -0.00319 -0.00317 -3.13726 D40 1.05501 -0.00289 0.00000 -0.00428 -0.00428 1.05073 D41 1.04133 0.00449 0.00000 0.00596 0.00597 1.04730 D42 -1.05067 0.00453 0.00000 0.00602 0.00604 -1.04463 D43 3.13842 0.00378 0.00000 0.00493 0.00494 -3.13982 D44 0.85262 -0.00501 0.00000 -0.00893 -0.00891 0.84370 D45 -1.17183 -0.00114 0.00000 -0.00293 -0.00286 -1.17470 D46 2.94354 0.00156 0.00000 0.00116 0.00122 2.94475 D47 -1.12159 -0.00481 0.00000 -0.00857 -0.00858 -1.13017 D48 3.13714 -0.00095 0.00000 -0.00257 -0.00252 3.13462 D49 0.96933 0.00175 0.00000 0.00152 0.00155 0.97088 D50 3.04016 -0.00908 0.00000 -0.01467 -0.01472 3.02545 D51 1.01571 -0.00522 0.00000 -0.00867 -0.00866 1.00705 D52 -1.15210 -0.00252 0.00000 -0.00458 -0.00458 -1.15668 D53 -0.97585 0.00378 0.00000 0.00600 0.00611 -0.96975 D54 1.05501 -0.00320 0.00000 -0.00247 -0.00246 1.05255 D55 -3.04539 -0.00584 0.00000 -0.00652 -0.00649 -3.05188 D56 -3.11319 0.00893 0.00000 0.01206 0.01215 -3.10104 D57 -1.08233 0.00195 0.00000 0.00359 0.00358 -1.07874 D58 1.10045 -0.00069 0.00000 -0.00046 -0.00044 1.10001 D59 1.02702 0.02136 0.00000 0.02917 0.02927 1.05629 D60 3.05789 0.01438 0.00000 0.02069 0.02070 3.07859 D61 -1.04252 0.01174 0.00000 0.01665 0.01667 -1.02584 D62 -1.31405 -0.02740 0.00000 -0.03807 -0.03823 -1.35229 D63 0.88039 -0.00862 0.00000 -0.01550 -0.01553 0.86486 D64 3.10772 -0.01376 0.00000 -0.02699 -0.02679 3.08093 D65 -3.09584 0.01921 0.00000 0.02274 0.02199 -3.07385 D66 0.92745 0.00393 0.00000 0.00294 0.00319 0.93064 D67 -0.93510 -0.02912 0.00000 -0.03495 -0.03445 -0.96955 D68 -1.22273 0.02951 0.00000 0.03341 0.03316 -1.18957 D69 0.93741 -0.03520 0.00000 -0.04085 -0.04047 0.89695 D70 3.09421 0.00208 0.00000 0.00198 0.00185 3.09606 Item Value Threshold Converged? Maximum Force 0.352320 0.000450 NO RMS Force 0.039702 0.000300 NO Maximum Displacement 0.510756 0.001800 NO RMS Displacement 0.142452 0.001200 NO Predicted change in Energy=-1.279205D-01 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.858466 2.469016 -0.569264 2 8 0 2.797108 2.620417 -1.793328 3 8 0 1.525370 0.977470 -0.442232 4 8 0 0.525905 3.239719 -0.901146 5 6 0 2.401636 2.956920 0.823052 6 1 0 2.596356 3.994250 1.008502 7 6 0 2.584725 2.056760 1.789483 8 1 0 2.379592 1.035869 1.601846 9 6 0 3.057082 2.493809 3.088031 10 1 0 2.351663 3.236335 3.419355 11 8 0 3.280252 1.353458 4.031657 12 6 0 4.722358 1.113978 4.008145 13 1 0 5.162876 1.710494 4.811174 14 6 0 5.105731 -0.363371 4.180689 15 6 0 4.453662 3.085534 2.892696 16 1 0 4.533329 3.812880 2.086220 17 6 0 5.189429 1.755436 2.684731 18 1 0 4.801485 1.218834 1.819882 19 1 0 6.273122 1.837971 2.599026 20 8 0 4.925754 3.686540 4.044838 21 1 0 6.197677 -0.465787 4.150055 22 1 0 4.664767 -0.955195 3.370228 23 1 0 4.734578 -0.737367 5.142870 24 15 0 4.377456 5.141073 4.449995 25 8 0 5.048281 5.648020 5.631593 26 8 0 2.922893 5.141314 4.488026 27 8 0 4.692070 5.969280 3.178890 28 1 0 5.668860 6.060345 3.091605 29 1 0 0.035517 3.314000 -0.040621 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.549936 0.000000 3 O 1.533558 2.478317 0.000000 4 O 1.574754 2.517516 2.515413 0.000000 5 C 1.572141 2.667411 2.507390 2.563436 0.000000 6 H 2.315203 3.126975 3.514627 2.915963 1.071616 7 C 2.502218 3.633091 2.695858 3.588540 1.333341 8 H 2.653149 3.769923 2.216159 3.815506 2.073027 9 C 3.848778 4.889916 4.136203 4.782967 2.402958 10 H 4.091589 5.267812 4.549405 4.690430 2.611773 11 O 4.943119 5.980725 4.820442 5.956254 3.692994 12 C 5.566927 6.295478 5.481352 6.799274 4.350517 13 H 6.359527 7.074197 6.431722 7.514694 5.008307 14 C 6.413205 7.065523 5.999019 7.731889 5.441524 15 C 4.370389 4.991926 4.913305 5.462993 2.917324 16 H 4.001557 4.414445 4.845662 5.031135 2.621522 17 C 4.710944 5.150185 4.879391 6.067130 3.561067 18 H 3.991532 4.363170 3.988527 5.456057 3.126322 19 H 5.470417 5.655764 5.703583 6.873616 4.403922 20 O 5.672791 6.304914 6.247837 6.634838 4.157333 21 H 7.050800 7.510814 6.708393 8.450704 6.098671 22 H 5.926225 6.552516 5.303382 7.278195 5.187919 23 H 7.154117 7.946028 6.665812 8.370202 6.144201 24 P 6.219177 6.915945 7.028789 6.861800 4.672163 25 O 7.663655 8.328482 8.433047 8.302317 6.113003 26 O 5.818106 6.769501 6.602886 6.197159 4.298292 27 O 5.859165 6.287187 6.932437 6.438488 4.457620 28 H 6.388952 6.628925 7.449304 7.095631 5.045031 29 H 2.077644 3.343564 2.800058 0.993228 2.544004 6 7 8 9 10 6 H 0.000000 7 C 2.089003 0.000000 8 H 3.025072 1.058067 0.000000 9 C 2.605385 1.449261 2.189367 0.000000 10 H 2.539000 2.025389 2.854150 1.076447 0.000000 11 O 4.071973 2.450661 2.610754 1.496876 2.186874 12 C 4.670515 3.221921 3.359304 2.350253 3.235934 13 H 5.124732 3.987152 4.301346 2.831462 3.488305 14 C 5.945468 4.234427 4.005014 3.681622 4.595912 15 C 2.797416 2.401746 3.188916 1.529291 2.172214 16 H 2.224013 2.639900 3.547533 2.218756 2.620939 17 C 3.813930 2.770694 3.096062 2.292324 3.284151 18 H 3.636463 2.370036 2.438561 2.505336 3.553907 19 H 4.549496 3.782526 4.098452 3.318458 4.243371 20 O 3.839286 3.636376 4.413299 2.414544 2.686979 21 H 6.536879 4.998896 4.829711 4.444146 5.388084 22 H 5.861150 3.987130 3.509065 3.815746 4.787671 23 H 6.637258 4.865616 4.607513 4.180533 4.943592 24 P 4.041212 4.450303 5.381089 3.256738 2.965482 25 O 5.488156 5.807587 6.680771 4.514823 4.240515 26 O 3.678242 4.112294 5.047761 2.997879 2.257721 27 O 3.606015 4.656090 5.672140 3.841919 3.606150 28 H 4.248335 5.218822 6.187409 4.420586 4.368781 29 H 2.849789 3.380591 3.658178 4.426175 4.164373 11 12 13 14 15 11 O 0.000000 12 C 1.462043 0.000000 13 H 2.068669 1.093043 0.000000 14 C 2.510395 1.536003 2.168339 0.000000 15 C 2.382060 2.281109 2.464605 3.738859 0.000000 16 H 3.376934 3.318675 3.498818 4.706965 1.088936 17 C 2.370812 1.543064 2.127083 2.595041 1.534198 18 H 2.687792 2.192203 3.052894 2.858207 2.180936 19 H 3.353275 2.216901 2.478405 2.951333 2.225553 20 O 2.855017 2.580851 2.132664 4.056184 1.382574 21 H 3.440208 2.166186 2.498817 1.097166 4.151435 22 H 2.772048 2.166040 3.070885 1.096153 4.074321 23 H 2.778742 2.171458 2.507087 1.097005 4.444859 24 P 3.965463 4.065918 3.537826 5.558941 2.579967 25 O 4.912126 4.826940 4.023721 6.184275 3.797560 26 O 3.831949 4.437093 4.110046 5.929654 3.019034 27 O 4.901659 4.925703 4.585114 6.424733 2.907703 28 H 5.361337 5.118834 4.704693 6.539675 3.219592 29 H 5.563765 6.572600 7.238850 7.553117 5.308159 16 17 18 19 20 16 H 0.000000 17 C 2.240928 0.000000 18 H 2.621435 1.089223 0.000000 19 H 2.681439 1.090205 1.776545 0.000000 20 O 2.001535 2.376674 3.324974 2.706101 0.000000 21 H 5.033533 2.845622 3.196405 2.778251 4.344039 22 H 4.939685 2.844766 2.673699 3.314111 4.697757 23 H 5.485286 3.530354 3.856611 3.933271 4.562146 24 P 2.715847 3.903588 4.741441 4.234397 1.606378 25 O 4.025243 4.884274 5.848739 5.021272 2.525907 26 O 3.182281 4.455696 5.102348 5.069954 2.514803 27 O 2.422641 4.271773 4.942228 4.461355 2.452627 28 H 2.711333 4.350591 5.080340 4.293741 2.663796 29 H 5.000265 6.034855 5.528620 6.932107 6.383116 21 22 23 24 25 21 H 0.000000 22 H 1.788145 0.000000 23 H 1.788881 1.787340 0.000000 24 P 5.902546 6.197817 5.929897 0.000000 25 O 6.394897 6.990229 6.411742 1.450232 0.000000 26 O 6.502155 6.438247 6.186268 1.455060 2.466125 27 O 6.679828 6.927172 6.988429 1.549392 2.499168 28 H 6.632523 7.092506 7.161666 2.087584 2.647011 29 H 8.355882 7.161695 8.084759 6.508169 7.921455 26 27 28 29 26 O 0.000000 27 O 2.351457 0.000000 28 H 3.214801 0.984901 0.000000 29 H 5.673152 6.252939 7.006269 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.369659 -0.547067 0.104816 2 8 0 -3.898113 -0.722255 1.551311 3 8 0 -3.893013 0.802112 -0.402745 4 8 0 -4.017667 -1.682827 -0.772671 5 6 0 -1.811325 -0.562960 -0.102479 6 1 0 -1.238093 -1.450306 0.077472 7 6 0 -1.213190 0.544239 -0.543094 8 1 0 -1.787841 1.412986 -0.729000 9 6 0 0.218592 0.537727 -0.767410 10 1 0 0.401064 -0.267049 -1.458624 11 8 0 0.740171 1.876331 -1.187802 12 6 0 1.313899 2.460972 0.023232 13 1 0 2.371830 2.187041 0.045300 14 6 0 1.165182 3.987732 0.101942 15 6 0 0.893162 0.289877 0.582500 16 1 0 0.494331 -0.552916 1.145008 17 6 0 0.640126 1.683089 1.173003 18 1 0 -0.425492 1.900231 1.233950 19 1 0 1.098391 1.860121 2.146245 20 8 0 2.255845 0.096575 0.451198 21 1 0 1.614062 4.353236 1.033975 22 1 0 0.102390 4.255493 0.083841 23 1 0 1.669739 4.458283 -0.750951 24 15 0 2.798464 -1.323108 -0.068913 25 8 0 4.247850 -1.371114 -0.056753 26 8 0 2.154960 -1.682289 -1.323542 27 8 0 2.156515 -2.303926 0.944258 28 1 0 2.566573 -2.162274 1.828463 29 1 0 -3.510099 -1.687138 -1.626404 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5602589 0.2318204 0.1840896 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1658.0793579691 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.72D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999756 -0.003040 -0.001795 -0.021785 Ang= -2.53 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.44109239 A.U. after 13 cycles NFock= 13 Conv=0.83D-08 -V/T= 2.0008 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 15 0.019243615 -0.182844624 -0.249155472 2 8 -0.027122336 0.032755089 0.050799593 3 8 -0.010663160 0.031457554 0.017089834 4 8 -0.057770267 0.045263048 0.044845914 5 6 0.047514377 0.050259479 0.154001590 6 1 0.002586901 0.005433812 0.003931986 7 6 -0.013152603 0.012655857 -0.023455546 8 1 -0.004487882 -0.009527970 -0.003252111 9 6 0.013484505 -0.006084857 0.030527064 10 1 0.004556092 -0.006548260 0.024081160 11 8 0.024222711 0.023998783 -0.029501543 12 6 -0.004730037 -0.003442109 -0.000214612 13 1 -0.003792503 -0.012251856 -0.004313385 14 6 -0.015040914 0.005991633 -0.002314546 15 6 -0.001105129 -0.005106329 -0.015827335 16 1 -0.005844569 -0.013057054 -0.000172458 17 6 0.006244419 0.004219965 0.020544420 18 1 0.004303143 0.003652149 0.003622640 19 1 -0.002910604 0.001213371 0.003322012 20 8 0.023849571 0.000739929 0.008254409 21 1 -0.007600628 0.000481942 0.000891473 22 1 0.003974491 0.001023778 0.006763860 23 1 0.003569758 0.000008349 -0.007231303 24 15 -0.057615108 -0.003915061 0.050732678 25 8 0.045546014 0.002002949 0.020038594 26 8 -0.038887313 -0.012274153 -0.004990264 27 8 0.073706345 0.036174642 -0.058581495 28 1 -0.035639746 0.000980237 -0.000033991 29 1 0.013560856 -0.003260293 -0.040403166 ------------------------------------------------------------------- Cartesian Forces: Max 0.249155472 RMS 0.043960566 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.202059608 RMS 0.023327944 Search for a local minimum. Step number 2 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 1 2 DE= -1.14D-01 DEPred=-1.28D-01 R= 8.88D-01 TightC=F SS= 1.41D+00 RLast= 3.33D-01 DXNew= 5.0454D-01 9.9910D-01 Trust test= 8.88D-01 RLast= 3.33D-01 DXMaxT set to 5.05D-01 ITU= 1 0 Use linear search instead of GDIIS. Linear search step of 0.601 exceeds DXMaxT= 0.505 but not scaled. Quartic linear search produced a step of 2.00000. Iteration 1 RMS(Cart)= 0.23425331 RMS(Int)= 0.01670925 Iteration 2 RMS(Cart)= 0.05214866 RMS(Int)= 0.00171125 Iteration 3 RMS(Cart)= 0.00132696 RMS(Int)= 0.00154559 Iteration 4 RMS(Cart)= 0.00000174 RMS(Int)= 0.00154559 Iteration 5 RMS(Cart)= 0.00000000 RMS(Int)= 0.00154559 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.92896 -0.05334 -0.07081 0.00000 -0.07081 2.85815 R2 2.89800 -0.02686 -0.01812 0.00000 -0.01812 2.87988 R3 2.97585 0.05703 0.09066 0.00000 0.09066 3.06651 R4 2.97092 0.20206 0.32521 0.00000 0.32521 3.29613 R5 1.87693 -0.04194 -0.07846 0.00000 -0.07846 1.79847 R6 2.02506 0.00641 0.01042 0.00000 0.01042 2.03548 R7 2.51965 0.00129 0.02874 0.00000 0.02874 2.54839 R8 1.99946 0.01064 0.01529 0.00000 0.01529 2.01474 R9 2.73871 0.05610 0.13315 0.00000 0.13315 2.87186 R10 2.03419 -0.00009 -0.01230 0.00000 -0.01230 2.02189 R11 2.82869 -0.03121 -0.05331 0.00000 -0.05324 2.77544 R12 2.88994 0.01309 0.06139 0.00000 0.06072 2.95066 R13 2.76286 -0.02445 -0.05988 0.00000 -0.05928 2.70358 R14 2.06555 -0.01138 -0.02814 0.00000 -0.02814 2.03741 R15 2.90263 -0.01120 -0.02530 0.00000 -0.02530 2.87732 R16 2.91597 -0.00957 -0.02715 0.00000 -0.02702 2.88894 R17 2.07334 -0.00763 -0.01747 0.00000 -0.01747 2.05587 R18 2.07143 -0.00715 -0.01682 0.00000 -0.01682 2.05461 R19 2.07304 -0.00755 -0.01674 0.00000 -0.01674 2.05630 R20 2.05779 -0.00902 -0.03001 0.00000 -0.03001 2.02778 R21 2.89921 0.00063 0.01652 0.00000 0.01646 2.91567 R22 2.61269 0.02690 0.09843 0.00000 0.09843 2.71111 R23 2.05833 -0.00621 -0.01483 0.00000 -0.01483 2.04350 R24 2.06019 -0.00306 -0.00608 0.00000 -0.00608 2.05411 R25 3.03561 0.02700 0.08301 0.00000 0.08301 3.11863 R26 2.74054 0.03809 0.04578 0.00000 0.04578 2.78632 R27 2.74967 0.03874 0.05277 0.00000 0.05277 2.80243 R28 2.92793 0.07568 0.11445 0.00000 0.11445 3.04237 R29 1.86119 -0.03525 -0.06261 0.00000 -0.06261 1.79858 A1 1.86708 0.03634 0.07672 0.00000 0.07689 1.94397 A2 1.87362 0.00885 0.00723 0.00000 -0.00213 1.87149 A3 2.04865 -0.02187 -0.05631 0.00000 -0.06155 1.98710 A4 1.88563 0.00591 -0.01483 0.00000 -0.01185 1.87378 A5 1.87919 0.00498 0.08598 0.00000 0.08627 1.96546 A6 1.90405 -0.03106 -0.08913 0.00000 -0.09316 1.81089 A7 1.84606 0.01335 0.03590 0.00000 0.03590 1.88197 A8 2.11350 -0.00760 -0.04743 0.00000 -0.04744 2.06606 A9 2.07127 0.02186 0.12857 0.00000 0.12856 2.19982 A10 2.09801 -0.01421 -0.08094 0.00000 -0.08095 2.01706 A11 2.09005 -0.01518 -0.04649 0.00000 -0.04649 2.04356 A12 2.08358 0.02616 0.07562 0.00000 0.07561 2.15919 A13 2.10954 -0.01098 -0.02915 0.00000 -0.02916 2.08038 A14 1.84441 0.00268 0.00924 0.00000 0.00672 1.85113 A15 1.96459 -0.01391 -0.05060 0.00000 -0.04966 1.91493 A16 1.87537 0.02423 0.09007 0.00000 0.08986 1.96522 A17 2.01437 -0.00211 -0.01269 0.00000 -0.01332 2.00105 A18 1.95074 -0.00245 -0.00625 0.00000 -0.00842 1.94232 A19 1.81227 -0.00645 -0.02069 0.00000 -0.01988 1.79239 A20 1.83558 0.01997 0.05837 0.00000 0.05803 1.89361 A21 1.87163 0.00117 0.00738 0.00000 0.00744 1.87907 A22 1.98441 -0.00404 -0.01222 0.00000 -0.01203 1.97239 A23 1.81756 -0.00490 -0.02215 0.00000 -0.02205 1.79551 A24 1.91961 -0.00178 -0.00681 0.00000 -0.00713 1.91248 A25 1.85588 -0.00020 0.00138 0.00000 0.00119 1.85707 A26 2.00493 0.00951 0.03184 0.00000 0.03192 2.03685 A27 1.91245 -0.00104 -0.00350 0.00000 -0.00349 1.90896 A28 1.91328 0.00444 0.01131 0.00000 0.01126 1.92454 A29 1.91983 0.00327 0.01084 0.00000 0.01078 1.93061 A30 1.90639 -0.00161 -0.00403 0.00000 -0.00402 1.90237 A31 1.90645 -0.00174 -0.00538 0.00000 -0.00536 1.90109 A32 1.90533 -0.00339 -0.00935 0.00000 -0.00947 1.89586 A33 2.00408 0.00114 0.00759 0.00000 0.00725 2.01133 A34 1.69091 -0.00560 -0.03359 0.00000 -0.03346 1.65745 A35 1.95367 0.00601 0.06341 0.00000 0.06231 2.01597 A36 2.03041 0.00285 0.00239 0.00000 0.00231 2.03273 A37 1.87741 -0.00111 -0.01030 0.00000 -0.01207 1.86534 A38 1.90295 -0.00333 -0.02756 0.00000 -0.02590 1.87705 A39 1.66994 0.00532 0.03431 0.00000 0.03377 1.70371 A40 1.94806 -0.00591 -0.02521 0.00000 -0.02516 1.92290 A41 1.98207 0.00265 0.00462 0.00000 0.00477 1.98684 A42 1.94328 -0.00643 -0.01925 0.00000 -0.01862 1.92466 A43 2.00615 0.00274 -0.00038 0.00000 -0.00092 2.00523 A44 1.90595 0.00139 0.00622 0.00000 0.00605 1.91200 A45 2.07973 0.02743 0.23584 0.00000 0.23584 2.31557 A46 1.94350 -0.02599 -0.09447 0.00000 -0.09797 1.84553 A47 1.92618 -0.00226 0.04443 0.00000 0.04382 1.97000 A48 1.78011 -0.00920 -0.01448 0.00000 -0.01788 1.76223 A49 2.02757 0.02709 0.05693 0.00000 0.05789 2.08546 A50 1.96887 -0.01081 -0.04551 0.00000 -0.05047 1.91840 A51 1.79706 0.01972 0.05961 0.00000 0.05847 1.85553 A52 1.90024 0.00928 0.03649 0.00000 0.03649 1.93672 D1 -2.91400 0.02811 0.06478 0.00000 0.06320 -2.85080 D2 1.36115 -0.02157 -0.02057 0.00000 -0.01952 1.34162 D3 -0.67702 -0.01400 -0.06625 0.00000 -0.06571 -0.74273 D4 1.15745 -0.02359 -0.08573 0.00000 -0.08213 1.07532 D5 -2.01465 -0.02204 -0.07986 0.00000 -0.07614 -2.09079 D6 -3.01970 0.01330 0.04491 0.00000 0.04625 -2.97345 D7 0.09139 0.01484 0.05078 0.00000 0.05224 0.14362 D8 -0.97744 0.00646 0.02964 0.00000 0.02453 -0.95291 D9 2.13365 0.00800 0.03551 0.00000 0.03052 2.16416 D10 0.01796 -0.00335 -0.01545 0.00000 -0.01534 0.00262 D11 -3.11826 -0.00251 -0.00956 0.00000 -0.00950 -3.12776 D12 3.12933 -0.00171 -0.00896 0.00000 -0.00903 3.12030 D13 -0.00690 -0.00087 -0.00307 0.00000 -0.00318 -0.01008 D14 0.98311 0.00544 0.01841 0.00000 0.01910 1.00222 D15 -3.08664 -0.00448 -0.02531 0.00000 -0.02399 -3.11063 D16 -1.10207 -0.00522 -0.02193 0.00000 -0.02398 -1.12606 D17 -2.15305 0.00631 0.02439 0.00000 0.02511 -2.12794 D18 0.06038 -0.00362 -0.01933 0.00000 -0.01798 0.04240 D19 2.04495 -0.00436 -0.01595 0.00000 -0.01798 2.02697 D20 1.74817 0.01445 0.04799 0.00000 0.04778 1.79595 D21 -2.41574 0.00515 0.00824 0.00000 0.00894 -2.40680 D22 -0.27463 -0.00384 -0.02270 0.00000 -0.02287 -0.29750 D23 0.86102 0.00286 -0.00214 0.00000 -0.00233 0.85869 D24 -1.28993 0.00250 0.01292 0.00000 0.01269 -1.27724 D25 3.00801 0.00713 0.03988 0.00000 0.04086 3.04887 D26 -1.15487 -0.01340 -0.06173 0.00000 -0.06224 -1.21711 D27 2.97737 -0.01376 -0.04667 0.00000 -0.04722 2.93015 D28 0.99213 -0.00913 -0.01971 0.00000 -0.01905 0.97307 D29 2.94579 -0.00514 -0.02847 0.00000 -0.02886 2.91694 D30 0.79484 -0.00550 -0.01341 0.00000 -0.01384 0.78101 D31 -1.19040 -0.00087 0.01356 0.00000 0.01433 -1.17607 D32 1.60326 0.00581 0.02606 0.00000 0.02624 1.62950 D33 -2.55407 0.00181 0.01490 0.00000 0.01484 -2.53923 D34 -0.35929 0.00772 0.03127 0.00000 0.03168 -0.32761 D35 3.13886 0.00041 -0.00271 0.00000 -0.00284 3.13602 D36 1.04693 0.00029 -0.00258 0.00000 -0.00267 1.04425 D37 -1.04827 -0.00035 -0.00479 0.00000 -0.00495 -1.05322 D38 -1.04533 -0.00210 -0.00648 0.00000 -0.00642 -1.05175 D39 -3.13726 -0.00223 -0.00634 0.00000 -0.00625 3.13967 D40 1.05073 -0.00287 -0.00855 0.00000 -0.00853 1.04220 D41 1.04730 0.00284 0.01195 0.00000 0.01202 1.05932 D42 -1.04463 0.00272 0.01208 0.00000 0.01219 -1.03245 D43 -3.13982 0.00208 0.00987 0.00000 0.00991 -3.12992 D44 0.84370 -0.00804 -0.01783 0.00000 -0.01774 0.82596 D45 -1.17470 -0.00167 -0.00572 0.00000 -0.00533 -1.18003 D46 2.94475 -0.00089 0.00243 0.00000 0.00275 2.94751 D47 -1.13017 -0.00717 -0.01715 0.00000 -0.01717 -1.14734 D48 3.13462 -0.00081 -0.00505 0.00000 -0.00476 3.12986 D49 0.97088 -0.00003 0.00311 0.00000 0.00332 0.97421 D50 3.02545 -0.01079 -0.02943 0.00000 -0.02970 2.99574 D51 1.00705 -0.00443 -0.01733 0.00000 -0.01730 0.98975 D52 -1.15668 -0.00365 -0.00917 0.00000 -0.00921 -1.16590 D53 -0.96975 0.00761 0.01221 0.00000 0.01282 -0.95693 D54 1.05255 0.00166 -0.00493 0.00000 -0.00489 1.04766 D55 -3.05188 0.00036 -0.01298 0.00000 -0.01282 -3.06470 D56 -3.10104 0.00864 0.02430 0.00000 0.02484 -3.07620 D57 -1.07874 0.00269 0.00716 0.00000 0.00713 -1.07161 D58 1.10001 0.00139 -0.00089 0.00000 -0.00079 1.09922 D59 1.05629 0.01073 0.05854 0.00000 0.05914 1.11543 D60 3.07859 0.00478 0.04140 0.00000 0.04143 3.12002 D61 -1.02584 0.00348 0.03335 0.00000 0.03351 -0.99234 D62 -1.35229 -0.00773 -0.07647 0.00000 -0.07743 -1.42972 D63 0.86486 -0.00289 -0.03105 0.00000 -0.03127 0.83359 D64 3.08093 -0.00226 -0.05359 0.00000 -0.05241 3.02852 D65 -3.07385 0.01276 0.04397 0.00000 0.03951 -3.03434 D66 0.93064 -0.00062 0.00638 0.00000 0.00784 0.93848 D67 -0.96955 -0.01769 -0.06891 0.00000 -0.06591 -1.03546 D68 -1.18957 0.01311 0.06633 0.00000 0.06460 -1.12497 D69 0.89695 -0.02852 -0.08093 0.00000 -0.07841 0.81853 D70 3.09606 0.01210 0.00370 0.00000 0.00291 3.09897 Item Value Threshold Converged? Maximum Force 0.202060 0.000450 NO RMS Force 0.023328 0.000300 NO Maximum Displacement 0.916085 0.001800 NO RMS Displacement 0.278379 0.001200 NO Predicted change in Energy=-3.139460D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.661825 2.184568 -0.913741 2 8 0 2.571433 2.526816 -2.072635 3 8 0 1.302479 0.703583 -0.908058 4 8 0 0.284127 3.016278 -1.122204 5 6 0 2.250433 2.737799 0.632168 6 1 0 2.382338 3.796457 0.780687 7 6 0 2.540030 1.960372 1.695337 8 1 0 2.398804 0.909776 1.581356 9 6 0 3.034722 2.501788 3.026389 10 1 0 2.289958 3.193908 3.359649 11 8 0 3.293066 1.388566 3.948929 12 6 0 4.705596 1.170665 4.012988 13 1 0 5.086603 1.737880 4.846960 14 6 0 5.074314 -0.296808 4.183060 15 6 0 4.433908 3.185555 2.913320 16 1 0 4.531100 3.900171 2.118764 17 6 0 5.215020 1.865057 2.749886 18 1 0 4.875602 1.335295 1.870386 19 1 0 6.295918 1.974285 2.714177 20 8 0 4.908043 3.823586 4.107623 21 1 0 6.157197 -0.395055 4.218930 22 1 0 4.693470 -0.880044 3.348245 23 1 0 4.653254 -0.693319 5.104774 24 15 0 4.607127 5.299246 4.782449 25 8 0 5.521836 5.406566 5.933887 26 8 0 3.160025 5.561742 4.972797 27 8 0 5.093382 6.280602 3.602426 28 1 0 6.028764 6.192695 3.450127 29 1 0 -0.182374 3.019972 -0.292676 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.512467 0.000000 3 O 1.523967 2.508119 0.000000 4 O 1.622729 2.524809 2.536031 0.000000 5 C 1.744236 2.731943 2.721938 2.649854 0.000000 6 H 2.447123 3.128768 3.685623 2.938054 1.077132 7 C 2.762027 3.810441 3.144632 3.760661 1.348550 8 H 2.897195 3.999534 2.727934 4.027212 2.065101 9 C 4.184507 5.120089 4.659837 5.004128 2.530436 10 H 4.435672 5.480324 5.038864 4.913442 2.765638 11 O 5.190388 6.170543 5.293577 6.117151 3.729399 12 C 5.879218 6.590039 6.001338 7.023238 4.462475 13 H 6.716719 7.404681 6.964882 7.767174 5.177661 14 C 6.616623 7.305546 6.414593 7.878341 5.458203 15 C 4.830406 5.363069 5.528920 5.790923 3.189311 16 H 4.513549 4.826410 5.459287 5.414972 2.960156 17 C 5.113653 5.539241 5.480652 6.374331 3.746356 18 H 4.336011 4.719782 4.570122 5.732621 3.223619 19 H 5.889043 6.090209 6.298388 7.207301 4.613422 20 O 6.199872 6.733272 6.920373 7.027334 4.507839 21 H 7.294322 7.808894 7.145719 8.640477 6.159744 22 H 6.061951 6.745049 5.667699 7.389759 5.141429 23 H 7.311184 8.137472 7.023758 8.463193 6.127832 24 P 7.128998 7.669589 8.026374 7.665846 5.416627 25 O 8.495350 9.005679 9.313068 9.106893 6.777361 26 O 6.949909 7.693850 7.850900 7.204111 5.257668 27 O 6.996345 7.256545 8.112862 7.490451 5.427360 28 H 7.360610 7.476143 8.453513 7.999792 5.844055 29 H 2.117709 3.315857 2.819422 0.951711 2.617920 6 7 8 9 10 6 H 0.000000 7 C 2.057343 0.000000 8 H 2.995708 1.066156 0.000000 9 C 2.673004 1.519721 2.242101 0.000000 10 H 2.650027 2.086644 2.896797 1.069937 0.000000 11 O 4.082293 2.443911 2.575722 1.468702 2.147728 12 C 4.768657 3.268765 3.361873 2.353102 3.218023 13 H 5.299563 4.057987 4.309778 2.847498 3.486163 14 C 5.964705 4.207877 3.922126 3.651022 4.540456 15 C 3.021633 2.563460 3.330908 1.561423 2.189931 16 H 2.533454 2.811845 3.711868 2.240180 2.657315 17 C 3.953750 2.876930 3.195168 2.288138 3.270113 18 H 3.668941 2.424100 2.529651 2.466959 3.515381 19 H 4.730201 3.891648 4.195708 3.318303 4.236960 20 O 4.177132 3.859815 4.600934 2.534866 2.794696 21 H 6.606046 5.000045 4.773353 4.423087 5.345517 22 H 5.814064 3.929042 3.404533 3.780453 4.730125 23 H 6.634220 4.809580 4.479613 4.141019 4.872490 24 P 4.818938 4.995121 5.864396 3.658138 3.438907 25 O 6.245348 6.223563 6.994211 4.803854 4.686960 26 O 4.614631 4.908768 5.807075 3.628708 2.994311 27 O 4.634970 5.368517 6.339656 4.341581 4.176817 28 H 5.115104 5.758742 6.676687 4.771439 4.793702 29 H 2.886656 3.533614 3.824578 4.651281 4.413859 11 12 13 14 15 11 O 0.000000 12 C 1.430674 0.000000 13 H 2.035990 1.078150 0.000000 14 C 2.463362 1.522614 2.140296 0.000000 15 C 2.367102 2.311464 2.502146 3.761544 0.000000 16 H 3.345204 3.326972 3.525215 4.708613 1.073053 17 C 2.314876 1.528764 2.104847 2.597584 1.542907 18 H 2.612967 2.155632 3.011077 2.837553 2.169394 19 H 3.299212 2.204958 2.463148 2.967794 2.230228 20 O 2.926201 2.662317 2.220061 4.124437 1.434659 21 H 3.384886 2.145002 2.467793 1.087922 4.182715 22 H 2.732864 2.155791 3.042075 1.087254 4.097026 23 H 2.742323 2.160827 2.482939 1.088149 4.460521 24 P 4.208911 4.200828 3.594077 5.647420 2.826895 25 O 5.005177 4.722178 3.850987 5.982821 3.903883 26 O 4.299000 4.753060 4.283626 6.213758 3.392710 27 O 5.224290 5.141050 4.710120 6.603016 3.238686 28 H 5.550901 5.223827 4.762792 6.600137 3.445957 29 H 5.721134 6.771331 7.471394 7.659374 5.622801 16 17 18 19 20 16 H 0.000000 17 C 2.237801 0.000000 18 H 2.599801 1.081375 0.000000 19 H 2.679204 1.086990 1.771324 0.000000 20 O 2.025713 2.402815 3.346322 2.699593 0.000000 21 H 5.050134 2.855502 3.186260 2.810213 4.401102 22 H 4.938465 2.857555 2.669263 3.334228 4.769363 23 H 5.480085 3.522267 3.824392 3.940738 4.632672 24 P 3.009719 4.036645 4.925962 4.264403 1.650307 25 O 4.219710 4.772241 5.788343 4.769307 2.493554 26 O 3.575775 4.778055 5.516431 5.273048 2.612523 27 O 2.860745 4.498739 5.244373 4.558447 2.515254 28 H 3.044863 4.458808 5.236382 4.290452 2.702036 29 H 5.367181 6.302608 5.753268 7.218233 6.776486 21 22 23 24 25 21 H 0.000000 22 H 1.770820 0.000000 23 H 1.770741 1.766883 0.000000 24 P 5.928350 6.344132 6.001405 0.000000 25 O 6.083056 6.847861 6.216949 1.474456 0.000000 26 O 6.710795 6.818153 6.432179 1.482983 2.554589 27 O 6.787943 7.176306 7.147470 1.609955 2.526504 28 H 6.633702 7.198404 7.214366 2.143451 2.654061 29 H 8.497479 7.227744 8.142745 7.341069 8.775188 26 27 28 29 26 O 0.000000 27 O 2.476397 0.000000 28 H 3.308517 0.951768 0.000000 29 H 6.734793 7.323737 7.915363 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.817152 -0.584754 0.136119 2 8 0 -4.203662 -0.969109 1.546947 3 8 0 -4.514347 0.697927 -0.301059 4 8 0 -4.330071 -1.772603 -0.843257 5 6 0 -2.094819 -0.537953 -0.135433 6 1 0 -1.531749 -1.447460 -0.009091 7 6 0 -1.381478 0.539319 -0.521719 8 1 0 -1.918129 1.447979 -0.673479 9 6 0 0.119265 0.516015 -0.760004 10 1 0 0.289293 -0.234072 -1.503795 11 8 0 0.583479 1.859957 -1.127985 12 6 0 1.217347 2.448966 0.011360 13 1 0 2.273036 2.241253 -0.057814 14 6 0 0.998236 3.952937 0.103095 15 6 0 0.928871 0.217657 0.541365 16 1 0 0.590599 -0.629399 1.106618 17 6 0 0.686455 1.605433 1.170551 18 1 0 -0.373028 1.777285 1.302212 19 1 0 1.202574 1.777608 2.111574 20 8 0 2.344450 0.063300 0.366560 21 1 0 1.498284 4.337116 0.989623 22 1 0 -0.063830 4.175348 0.171436 23 1 0 1.402284 4.453233 -0.774697 24 15 0 3.280113 -1.208390 -0.113910 25 8 0 4.675918 -0.765840 0.059003 26 8 0 2.851470 -1.780975 -1.413006 27 8 0 2.908848 -2.302626 1.007145 28 1 0 3.191766 -2.016139 1.869551 29 1 0 -3.877456 -1.680079 -1.675323 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5742157 0.1846110 0.1543062 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1584.1247004120 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 2.10D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999655 -0.004559 -0.002014 -0.025799 Ang= -3.01 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.52399346 A.U. after 15 cycles NFock= 15 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 15 0.016291726 -0.091385798 -0.107850730 2 8 -0.013586112 0.018919448 0.035926777 3 8 0.002790384 0.036507653 0.029772139 4 8 -0.008849238 0.019888427 0.017080833 5 6 0.013534969 0.002148787 0.062835439 6 1 0.000543888 0.005183451 -0.005289699 7 6 -0.007436752 0.022143113 -0.030360717 8 1 -0.000067560 -0.008509613 0.004304794 9 6 0.017371173 -0.007546126 0.004574257 10 1 -0.002986730 -0.001341060 0.021791428 11 8 -0.004143105 0.017433594 -0.015717291 12 6 -0.001181403 0.005123075 -0.003096548 13 1 0.000923406 -0.004142480 0.004061076 14 6 -0.010473109 0.003526641 -0.005739992 15 6 0.001273506 -0.002751152 0.010982848 16 1 -0.005027313 -0.002826784 -0.009879183 17 6 0.011461050 0.010055597 0.014497813 18 1 0.003360863 0.001468885 -0.002619940 19 1 -0.001373237 0.001630024 0.002341517 20 8 -0.007437183 -0.011147303 -0.012567119 21 1 -0.001099261 -0.000490227 0.000682765 22 1 0.001083077 -0.001634341 0.001337244 23 1 0.001077880 0.000031911 -0.001533786 24 15 -0.030626979 -0.002173747 0.025230010 25 8 0.010280945 -0.005073528 -0.006521719 26 8 0.010065360 -0.010231465 -0.012644191 27 8 0.012579687 0.006224337 -0.019675871 28 1 -0.004845231 0.000255723 0.003697909 29 1 -0.003504701 -0.001287043 -0.005620063 ------------------------------------------------------------------- Cartesian Forces: Max 0.107850730 RMS 0.020441226 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.036024896 RMS 0.010144598 Search for a local minimum. Step number 3 out of a maximum of 161 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 --- 0.00230 0.00508 0.00817 0.01904 0.02281 Eigenvalues --- 0.02360 0.02760 0.03073 0.03514 0.03620 Eigenvalues --- 0.04004 0.04064 0.04446 0.04483 0.04790 Eigenvalues --- 0.05187 0.05317 0.05546 0.05631 0.05655 Eigenvalues --- 0.05907 0.05928 0.06258 0.07296 0.07744 Eigenvalues --- 0.07889 0.08704 0.10777 0.12694 0.13377 Eigenvalues --- 0.15003 0.15204 0.15758 0.15889 0.15999 Eigenvalues --- 0.16000 0.16000 0.16000 0.16000 0.16024 Eigenvalues --- 0.16719 0.17537 0.17785 0.18034 0.20153 Eigenvalues --- 0.21554 0.21652 0.22000 0.22721 0.24938 Eigenvalues --- 0.25000 0.25056 0.26044 0.27765 0.28279 Eigenvalues --- 0.29457 0.30061 0.33491 0.33526 0.33617 Eigenvalues --- 0.33643 0.33734 0.34142 0.34478 0.34603 Eigenvalues --- 0.36062 0.37359 0.39276 0.43410 0.45539 Eigenvalues --- 0.47339 0.51247 0.54166 0.56068 0.59492 Eigenvalues --- 0.61133 0.63924 0.66620 0.72191 1.00433 Eigenvalues --- 1.01371 RFO step: Lambda=-5.79093128D-02 EMin= 2.29999811D-03 Quartic linear search produced a step of 0.16756. Iteration 1 RMS(Cart)= 0.11277201 RMS(Int)= 0.00514280 Iteration 2 RMS(Cart)= 0.00789973 RMS(Int)= 0.00155578 Iteration 3 RMS(Cart)= 0.00003084 RMS(Int)= 0.00155569 Iteration 4 RMS(Cart)= 0.00000022 RMS(Int)= 0.00155569 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.85815 -0.03142 -0.01186 -0.05113 -0.06300 2.79515 R2 2.87988 -0.03602 -0.00304 -0.05409 -0.05713 2.82275 R3 3.06651 0.01855 0.01519 0.02768 0.04288 3.10939 R4 3.29613 0.03502 0.05449 0.04142 0.09591 3.39204 R5 1.79847 -0.00319 -0.01315 -0.00340 -0.01655 1.78192 R6 2.03548 0.00443 0.00175 0.01071 0.01246 2.04794 R7 2.54839 -0.02850 0.00482 -0.04657 -0.04175 2.50664 R8 2.01474 0.00793 0.00256 0.01831 0.02087 2.03561 R9 2.87186 -0.00189 0.02231 -0.00695 0.01536 2.88721 R10 2.02189 0.00800 -0.00206 0.02050 0.01844 2.04033 R11 2.77544 -0.02588 -0.00892 -0.07933 -0.08828 2.68716 R12 2.95066 -0.01037 0.01017 -0.03138 -0.02170 2.92896 R13 2.70358 -0.00388 -0.00993 -0.01070 -0.02007 2.68351 R14 2.03741 0.00129 -0.00472 0.00471 -0.00001 2.03740 R15 2.87732 -0.00425 -0.00424 -0.01251 -0.01675 2.86057 R16 2.88894 -0.00110 -0.00453 0.00181 -0.00226 2.88668 R17 2.05587 -0.00103 -0.00293 -0.00216 -0.00509 2.05079 R18 2.05461 -0.00053 -0.00282 -0.00082 -0.00363 2.05098 R19 2.05630 -0.00173 -0.00280 -0.00414 -0.00694 2.04936 R20 2.02778 0.00498 -0.00503 0.01415 0.00913 2.03690 R21 2.91567 -0.01030 0.00276 -0.02726 -0.02494 2.89073 R22 2.71111 -0.03186 0.01649 -0.05802 -0.04152 2.66959 R23 2.04350 0.00036 -0.00248 0.00157 -0.00092 2.04259 R24 2.05411 -0.00128 -0.00102 -0.00320 -0.00422 2.04990 R25 3.11863 -0.01342 0.01391 -0.02383 -0.00992 3.10871 R26 2.78632 0.00092 0.00767 -0.00020 0.00747 2.79379 R27 2.80243 -0.01326 0.00884 -0.01500 -0.00616 2.79627 R28 3.04237 0.01800 0.01918 0.02314 0.04231 3.08469 R29 1.79858 -0.00538 -0.01049 -0.00838 -0.01887 1.77971 A1 1.94397 0.03544 0.01288 0.17467 0.18459 2.12855 A2 1.87149 0.00702 -0.00036 0.02131 0.00963 1.88112 A3 1.98710 -0.01648 -0.01031 -0.07337 -0.08626 1.90084 A4 1.87378 0.01441 -0.00199 0.05326 0.04353 1.91731 A5 1.96546 -0.02172 0.01446 -0.08880 -0.07460 1.89086 A6 1.81089 -0.01929 -0.01561 -0.09392 -0.11509 1.69580 A7 1.88197 0.00758 0.00602 0.03613 0.04215 1.92412 A8 2.06606 0.00032 -0.00795 -0.00747 -0.01543 2.05063 A9 2.19982 -0.01211 0.02154 -0.04441 -0.02289 2.17693 A10 2.01706 0.01181 -0.01356 0.05207 0.03849 2.05555 A11 2.04356 0.00216 -0.00779 0.01677 0.00898 2.05253 A12 2.15919 0.00625 0.01267 0.02193 0.03460 2.19379 A13 2.08038 -0.00841 -0.00489 -0.03873 -0.04362 2.03676 A14 1.85113 0.00519 0.00113 0.04020 0.03975 1.89088 A15 1.91493 -0.00268 -0.00832 -0.02071 -0.02905 1.88588 A16 1.96522 -0.00149 0.01506 0.00123 0.01623 1.98146 A17 2.00105 -0.00660 -0.00223 -0.05650 -0.05782 1.94323 A18 1.94232 0.00202 -0.00141 0.01356 0.01131 1.95363 A19 1.79239 0.00306 -0.00333 0.01892 0.01498 1.80737 A20 1.89361 0.00215 0.00972 0.01855 0.02656 1.92018 A21 1.87907 -0.00184 0.00125 -0.01055 -0.00965 1.86942 A22 1.97239 -0.00280 -0.00202 -0.03151 -0.03334 1.93905 A23 1.79551 0.00279 -0.00369 0.02506 0.02073 1.81624 A24 1.91248 0.00106 -0.00119 0.00559 0.00401 1.91649 A25 1.85707 0.00203 0.00020 0.02174 0.02162 1.87869 A26 2.03685 -0.00108 0.00535 -0.00785 -0.00188 2.03497 A27 1.90896 0.00022 -0.00058 0.00086 0.00026 1.90922 A28 1.92454 0.00327 0.00189 0.01700 0.01884 1.94338 A29 1.93061 0.00022 0.00181 -0.00015 0.00162 1.93224 A30 1.90237 -0.00135 -0.00067 -0.00512 -0.00584 1.89653 A31 1.90109 -0.00088 -0.00090 -0.00656 -0.00745 1.89364 A32 1.89586 -0.00156 -0.00159 -0.00643 -0.00808 1.88778 A33 2.01133 -0.00065 0.00121 -0.00967 -0.00884 2.00248 A34 1.65745 0.00829 -0.00561 0.05922 0.05175 1.70920 A35 2.01597 -0.01052 0.01044 -0.06398 -0.05299 1.96298 A36 2.03273 -0.00090 0.00039 0.00634 0.00755 2.04028 A37 1.86534 0.00540 -0.00202 0.02612 0.02308 1.88842 A38 1.87705 -0.00245 -0.00434 -0.02092 -0.02408 1.85296 A39 1.70371 -0.00508 0.00566 0.00305 0.00583 1.70954 A40 1.92290 -0.00021 -0.00422 -0.01265 -0.01643 1.90647 A41 1.98684 0.00423 0.00080 0.02300 0.02392 2.01076 A42 1.92466 -0.00447 -0.00312 -0.03913 -0.04167 1.88300 A43 2.00523 0.00616 -0.00015 0.02745 0.02749 2.03273 A44 1.91200 -0.00115 0.00101 -0.00371 -0.00270 1.90930 A45 2.31557 -0.03100 0.03952 -0.09872 -0.05920 2.25636 A46 1.84553 -0.00450 -0.01641 -0.02075 -0.03848 1.80705 A47 1.97000 -0.01062 0.00734 -0.04295 -0.03587 1.93413 A48 1.76223 -0.00922 -0.00300 -0.04366 -0.04794 1.71428 A49 2.08546 0.01706 0.00970 0.07891 0.08802 2.17348 A50 1.91840 -0.00178 -0.00846 -0.00663 -0.01737 1.90103 A51 1.85553 0.00477 0.00980 0.01507 0.02342 1.87896 A52 1.93672 -0.00403 0.00611 -0.02188 -0.01576 1.92096 D1 -2.85080 0.02381 0.01059 0.09663 0.10921 -2.74159 D2 1.34162 -0.02941 -0.00327 -0.14898 -0.15572 1.18590 D3 -0.74273 -0.00158 -0.01101 -0.02515 -0.03469 -0.77742 D4 1.07532 -0.01028 -0.01376 -0.06765 -0.07704 0.99828 D5 -2.09079 -0.00923 -0.01276 -0.05696 -0.06545 -2.15624 D6 -2.97345 0.00566 0.00775 0.03399 0.03890 -2.93455 D7 0.14362 0.00671 0.00875 0.04468 0.05049 0.19411 D8 -0.95291 0.00122 0.00411 0.00041 0.00314 -0.94977 D9 2.16416 0.00227 0.00511 0.01110 0.01473 2.17889 D10 0.00262 -0.00114 -0.00257 -0.01281 -0.01549 -0.01287 D11 -3.12776 -0.00086 -0.00159 -0.00910 -0.01074 -3.13850 D12 3.12030 -0.00025 -0.00151 -0.00308 -0.00454 3.11576 D13 -0.01008 0.00003 -0.00053 0.00063 0.00021 -0.00987 D14 1.00222 0.00351 0.00320 0.02877 0.03255 1.03477 D15 -3.11063 -0.00284 -0.00402 -0.02693 -0.03036 -3.14099 D16 -1.12606 -0.00158 -0.00402 -0.01570 -0.02082 -1.14688 D17 -2.12794 0.00373 0.00421 0.03220 0.03695 -2.09099 D18 0.04240 -0.00262 -0.00301 -0.02349 -0.02596 0.01645 D19 2.02697 -0.00136 -0.00301 -0.01226 -0.01642 2.01055 D20 1.79595 0.00395 0.00801 0.04745 0.05460 1.85056 D21 -2.40680 0.00428 0.00150 0.04645 0.04862 -2.35818 D22 -0.29750 0.00527 -0.00383 0.04540 0.04150 -0.25600 D23 0.85869 0.00138 -0.00039 -0.01892 -0.01965 0.83904 D24 -1.27724 -0.00238 0.00213 -0.05881 -0.05750 -1.33473 D25 3.04887 -0.00111 0.00685 -0.04904 -0.04145 3.00742 D26 -1.21711 -0.00564 -0.01043 -0.08043 -0.09141 -1.30851 D27 2.93015 -0.00940 -0.00791 -0.12033 -0.12926 2.80090 D28 0.97307 -0.00813 -0.00319 -0.11056 -0.11321 0.85987 D29 2.91694 -0.00070 -0.00484 -0.03165 -0.03736 2.87958 D30 0.78101 -0.00446 -0.00232 -0.07155 -0.07521 0.70580 D31 -1.17607 -0.00319 0.00240 -0.06178 -0.05916 -1.23523 D32 1.62950 0.00274 0.00440 0.04495 0.04946 1.67896 D33 -2.53923 0.00103 0.00249 0.02489 0.02801 -2.51122 D34 -0.32761 -0.00005 0.00531 0.01373 0.01989 -0.30772 D35 3.13602 0.00192 -0.00048 0.01696 0.01640 -3.13077 D36 1.04425 0.00143 -0.00045 0.01223 0.01169 1.05594 D37 -1.05322 0.00110 -0.00083 0.00930 0.00836 -1.04486 D38 -1.05175 -0.00152 -0.00108 -0.01323 -0.01423 -1.06598 D39 3.13967 -0.00202 -0.00105 -0.01796 -0.01894 3.12073 D40 1.04220 -0.00234 -0.00143 -0.02089 -0.02227 1.01993 D41 1.05932 0.00124 0.00201 0.01452 0.01657 1.07589 D42 -1.03245 0.00075 0.00204 0.00979 0.01186 -1.02058 D43 -3.12992 0.00042 0.00166 0.00686 0.00853 -3.12138 D44 0.82596 -0.00839 -0.00297 -0.08177 -0.08485 0.74111 D45 -1.18003 -0.00097 -0.00089 -0.03566 -0.03641 -1.21644 D46 2.94751 -0.00239 0.00046 -0.03786 -0.03746 2.91004 D47 -1.14734 -0.00827 -0.00288 -0.08867 -0.09160 -1.23893 D48 3.12986 -0.00085 -0.00080 -0.04256 -0.04315 3.08670 D49 0.97421 -0.00227 0.00056 -0.04476 -0.04421 0.93000 D50 2.99574 -0.01051 -0.00498 -0.10778 -0.11289 2.88286 D51 0.98975 -0.00309 -0.00290 -0.06167 -0.06444 0.92531 D52 -1.16590 -0.00452 -0.00154 -0.06387 -0.06550 -1.23139 D53 -0.95693 0.01047 0.00215 0.09876 0.10122 -0.85571 D54 1.04766 0.00643 -0.00082 0.07365 0.07302 1.12068 D55 -3.06470 0.00596 -0.00215 0.05779 0.05594 -3.00876 D56 -3.07620 0.00633 0.00416 0.06998 0.07407 -3.00213 D57 -1.07161 0.00229 0.00120 0.04488 0.04587 -1.02574 D58 1.09922 0.00181 -0.00013 0.02901 0.02878 1.12800 D59 1.11543 0.00179 0.00991 0.04790 0.05766 1.17310 D60 3.12002 -0.00226 0.00694 0.02280 0.02947 -3.13370 D61 -0.99234 -0.00273 0.00561 0.00693 0.01238 -0.97995 D62 -1.42972 0.00289 -0.01297 0.01865 0.00533 -1.42438 D63 0.83359 -0.00160 -0.00524 -0.02229 -0.02784 0.80576 D64 3.02852 -0.00088 -0.00878 -0.01132 -0.01946 3.00906 D65 -3.03434 0.00547 0.00662 0.02392 0.02894 -3.00540 D66 0.93848 -0.00533 0.00131 -0.03084 -0.02855 0.90992 D67 -1.03546 -0.00168 -0.01104 -0.00781 -0.01823 -1.05369 D68 -1.12497 -0.00236 0.01082 -0.01555 -0.00561 -1.13058 D69 0.81853 -0.01230 -0.01314 -0.06139 -0.07412 0.74441 D70 3.09897 0.01162 0.00049 0.04532 0.04628 -3.13793 Item Value Threshold Converged? Maximum Force 0.036025 0.000450 NO RMS Force 0.010145 0.000300 NO Maximum Displacement 0.499425 0.001800 NO RMS Displacement 0.113532 0.001200 NO Predicted change in Energy=-3.738238D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.640518 2.113318 -0.915306 2 8 0 2.526455 2.566498 -2.009640 3 8 0 1.293915 0.673035 -0.723735 4 8 0 0.265915 3.015684 -0.975327 5 6 0 2.262571 2.756321 0.640837 6 1 0 2.374259 3.830634 0.729348 7 6 0 2.581204 2.013037 1.692259 8 1 0 2.446029 0.947550 1.609638 9 6 0 3.108348 2.536623 3.027285 10 1 0 2.374560 3.212050 3.440923 11 8 0 3.325921 1.421879 3.882881 12 6 0 4.717656 1.168059 4.006167 13 1 0 5.049975 1.654244 4.909264 14 6 0 4.995165 -0.317589 4.091498 15 6 0 4.507998 3.194477 2.924745 16 1 0 4.613659 3.907279 2.123134 17 6 0 5.336840 1.912666 2.824799 18 1 0 5.064692 1.412105 1.906268 19 1 0 6.414523 2.029366 2.865799 20 8 0 4.898779 3.822746 4.128178 21 1 0 6.063209 -0.479208 4.195834 22 1 0 4.650769 -0.835562 3.202094 23 1 0 4.495874 -0.752266 4.950482 24 15 0 4.493576 5.308443 4.706731 25 8 0 5.358667 5.464655 5.895389 26 8 0 3.024973 5.489495 4.708513 27 8 0 5.101785 6.207528 3.487599 28 1 0 6.038319 6.114282 3.453469 29 1 0 -0.158154 3.020651 -0.133126 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.479129 0.000000 3 O 1.493735 2.599597 0.000000 4 O 1.645418 2.526185 2.570619 0.000000 5 C 1.794989 2.670337 2.672159 2.581839 0.000000 6 H 2.488461 3.020474 3.639921 2.831108 1.083723 7 C 2.773867 3.743444 3.047909 3.671767 1.326456 8 H 2.895376 3.965682 2.616745 3.963851 2.060068 9 C 4.228208 5.070514 4.564569 4.932528 2.541405 10 H 4.552226 5.490760 4.995875 4.897775 2.839139 11 O 5.132375 6.055667 5.090259 5.958694 3.663645 12 C 5.880748 6.553391 5.859952 6.931594 4.458191 13 H 6.764670 7.421024 6.841158 7.705138 5.215713 14 C 6.498542 7.185845 6.153622 7.690853 5.368710 15 C 4.912977 5.354347 5.477172 5.765223 3.232670 16 H 4.614107 4.820160 5.439274 5.412788 3.008242 17 C 5.262266 5.630058 5.520328 6.432097 3.864268 18 H 4.491987 4.807246 4.656383 5.822655 3.355609 19 H 6.090561 6.259033 6.398830 7.316587 4.766301 20 O 6.243007 6.699171 6.815921 6.939779 4.499822 21 H 7.239139 7.764848 6.948093 8.518438 6.127927 22 H 5.891560 6.576389 5.381122 7.177038 5.016487 23 H 7.125454 7.958398 6.669390 8.197878 5.989228 24 P 7.067961 7.516480 7.823989 7.444169 5.293600 25 O 8.452317 8.883143 9.126590 8.896084 6.673170 26 O 6.703926 7.343433 7.463522 6.785143 4.959585 27 O 6.937471 7.078775 7.928797 7.313768 5.298680 28 H 7.377979 7.400374 8.340598 7.907983 5.782999 29 H 2.161083 3.306763 2.822875 0.942953 2.555152 6 7 8 9 10 6 H 0.000000 7 C 2.067288 0.000000 8 H 3.015332 1.077200 0.000000 9 C 2.737492 1.527848 2.230145 0.000000 10 H 2.781238 2.130296 2.913189 1.079696 0.000000 11 O 4.080751 2.388074 2.483311 1.421983 2.074880 12 C 4.828908 3.260765 3.309421 2.328315 3.160301 13 H 5.419209 4.070957 4.262334 2.844354 3.426461 14 C 5.948189 4.124970 3.776016 3.583177 4.444004 15 C 3.126868 2.574366 3.321130 1.549937 2.195064 16 H 2.638830 2.811526 3.704361 2.227587 2.689512 17 C 4.104436 2.980981 3.280983 2.323036 3.292888 18 H 3.804320 2.564105 2.676041 2.519624 3.582148 19 H 4.912507 4.008965 4.300839 3.348758 4.248625 20 O 4.233828 3.818364 4.541561 2.464086 2.686439 21 H 6.648279 4.960195 4.669908 4.380861 5.272704 22 H 5.750682 3.831085 3.252120 3.712311 4.649874 23 H 6.581959 4.682828 4.272292 4.054714 4.742841 24 P 4.742889 4.858386 5.727288 3.524540 3.238420 25 O 6.185846 6.106903 6.874253 4.675823 4.472530 26 O 4.359931 4.623903 5.528785 3.398960 2.686369 27 O 4.549392 5.212516 6.184427 4.202525 4.051274 28 H 5.105019 5.645682 6.557391 4.643921 4.673997 29 H 2.795183 3.442586 3.757225 4.570834 4.384644 11 12 13 14 15 11 O 0.000000 12 C 1.420053 0.000000 13 H 2.019856 1.078145 0.000000 14 C 2.419844 1.513751 2.135386 0.000000 15 C 2.336115 2.306470 2.569898 3.732728 0.000000 16 H 3.306386 3.325651 3.609578 4.676485 1.077882 17 C 2.324694 1.527567 2.119922 2.587529 1.529709 18 H 2.632569 2.142328 3.012779 2.787813 2.126983 19 H 3.308014 2.218479 2.485650 3.004183 2.235128 20 O 2.880662 2.663655 2.309839 4.141620 1.412686 21 H 3.347359 2.135409 2.467234 1.085230 4.186922 22 H 2.704576 2.159977 3.045149 1.085331 4.042094 23 H 2.689882 2.151410 2.469822 1.084477 4.436275 24 P 4.140957 4.205209 3.701860 5.681756 2.764875 25 O 4.952401 4.737172 3.948033 6.067991 3.834328 26 O 4.161458 4.693962 4.341668 6.163164 3.263172 27 O 5.119802 5.080622 4.770347 6.553870 3.122156 28 H 5.436924 5.149248 4.794591 6.547078 3.338666 29 H 5.551862 6.658782 7.376814 7.453053 5.581556 16 17 18 19 20 16 H 0.000000 17 C 2.234682 0.000000 18 H 2.544868 1.080891 0.000000 19 H 2.705775 1.084759 1.767415 0.000000 20 O 2.026977 2.353529 3.282621 2.665950 0.000000 21 H 5.063452 2.851037 3.133084 2.861007 4.457273 22 H 4.864161 2.857587 2.627261 3.381085 4.755941 23 H 5.451525 3.511071 3.778266 3.970465 4.665753 24 P 2.941539 3.972916 4.832207 4.222726 1.645056 25 O 4.148537 4.695277 5.694091 4.700474 2.455687 26 O 3.422208 4.656910 5.351461 5.182387 2.574100 27 O 2.718672 4.352056 5.049561 4.423455 2.477647 28 H 2.944539 4.305912 5.045023 4.144083 2.646681 29 H 5.352291 6.338131 5.833067 7.292207 6.661429 21 22 23 24 25 21 H 0.000000 22 H 1.763376 0.000000 23 H 1.760850 1.757211 0.000000 24 P 6.018444 6.327515 6.065609 0.000000 25 O 6.222088 6.888229 6.347233 1.478408 0.000000 26 O 6.717077 6.702153 6.417295 1.479722 2.618285 27 O 6.792523 7.063288 7.137639 1.632347 2.532845 28 H 6.635197 7.091461 7.195114 2.146224 2.616661 29 H 8.348309 7.008553 7.857350 7.092024 8.529447 26 27 28 29 26 O 0.000000 27 O 2.513832 0.000000 28 H 3.323515 0.941784 0.000000 29 H 6.298330 7.136721 7.799391 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.829388 -0.548193 0.161582 2 8 0 -4.120508 -1.007673 1.537064 3 8 0 -4.370351 0.737122 -0.373740 4 8 0 -4.193891 -1.779511 -0.867201 5 6 0 -2.052565 -0.562624 -0.092734 6 1 0 -1.533070 -1.501530 0.059047 7 6 0 -1.334030 0.488082 -0.465841 8 1 0 -1.856644 1.413853 -0.639575 9 6 0 0.176905 0.499823 -0.692243 10 1 0 0.410626 -0.219900 -1.462384 11 8 0 0.554024 1.814595 -1.081077 12 6 0 1.216268 2.467727 -0.008043 13 1 0 2.275542 2.346915 -0.168483 14 6 0 0.868155 3.940374 0.031592 15 6 0 0.997990 0.253311 0.599018 16 1 0 0.668589 -0.586080 1.189566 17 6 0 0.836904 1.642048 1.219881 18 1 0 -0.211619 1.788807 1.437562 19 1 0 1.421523 1.843985 2.111028 20 8 0 2.377738 0.095998 0.339734 21 1 0 1.396384 4.413485 0.853094 22 1 0 -0.197567 4.090800 0.171414 23 1 0 1.160156 4.428450 -0.891775 24 15 0 3.197240 -1.238363 -0.164356 25 8 0 4.615127 -0.831555 -0.065399 26 8 0 2.572048 -1.812826 -1.376257 27 8 0 2.839377 -2.219767 1.089971 28 1 0 3.219828 -1.882598 1.882771 29 1 0 -3.717809 -1.681349 -1.675206 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5736947 0.1918774 0.1594473 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1597.2799172330 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 2.00D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999984 0.004709 -0.002947 0.001247 Ang= 0.65 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.55626023 A.U. after 13 cycles NFock= 13 Conv=0.50D-08 -V/T= 2.0015 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 15 0.004282441 -0.020119649 -0.002622216 2 8 -0.005282141 0.000373142 -0.003356006 3 8 0.000233555 0.013111881 -0.003070577 4 8 -0.003755039 0.005720429 -0.010393040 5 6 0.007614400 0.005697475 0.021438138 6 1 0.000813495 -0.000176343 -0.003351638 7 6 -0.001043877 0.005993953 -0.005366427 8 1 0.000936891 -0.000011092 0.003279743 9 6 0.000394458 -0.000195632 -0.012439832 10 1 0.004194355 -0.001022175 0.009055042 11 8 0.002813088 -0.001688856 0.002568224 12 6 -0.001914622 0.002814790 0.001279975 13 1 0.003661344 -0.002766100 0.003531561 14 6 -0.003239039 -0.000384874 -0.003807641 15 6 -0.002224662 0.005938246 0.010382349 16 1 -0.002894968 -0.004474443 -0.007204861 17 6 -0.005484489 0.002229674 0.001981079 18 1 0.004214948 -0.002426866 -0.003923313 19 1 -0.001442848 0.003339506 0.004092500 20 8 -0.001937805 -0.004512303 -0.001511763 21 1 0.001734563 -0.001607278 0.000747663 22 1 -0.000139344 -0.000046918 -0.000586150 23 1 -0.000461939 -0.000464309 0.000996693 24 15 -0.005728080 -0.011676815 0.001673380 25 8 -0.005123727 0.003582399 -0.003841332 26 8 0.013888331 0.000427899 -0.000770654 27 8 -0.007269949 0.007645031 -0.005957634 28 1 0.005682810 -0.001165945 0.003265399 29 1 -0.002522148 -0.004134823 0.003911334 ------------------------------------------------------------------- Cartesian Forces: Max 0.021438138 RMS 0.005682999 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.018447198 RMS 0.003839668 Search for a local minimum. Step number 4 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 3 4 DE= -3.23D-02 DEPred=-3.74D-02 R= 8.63D-01 TightC=F SS= 1.41D+00 RLast= 5.93D-01 DXNew= 8.4853D-01 1.7779D+00 Trust test= 8.63D-01 RLast= 5.93D-01 DXMaxT set to 8.49D-01 ITU= 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00488 0.00782 0.01904 0.02275 Eigenvalues --- 0.02375 0.02803 0.03073 0.03361 0.03618 Eigenvalues --- 0.03962 0.04051 0.04415 0.04479 0.04713 Eigenvalues --- 0.05024 0.05313 0.05437 0.05617 0.05756 Eigenvalues --- 0.05920 0.06083 0.06337 0.07483 0.07894 Eigenvalues --- 0.08131 0.08594 0.11116 0.12981 0.15029 Eigenvalues --- 0.15213 0.15512 0.15828 0.15999 0.16000 Eigenvalues --- 0.16000 0.16000 0.16005 0.16032 0.16306 Eigenvalues --- 0.16662 0.17486 0.18192 0.19993 0.20576 Eigenvalues --- 0.21161 0.21360 0.21822 0.23367 0.24784 Eigenvalues --- 0.25018 0.25534 0.26529 0.28016 0.28344 Eigenvalues --- 0.29287 0.30412 0.33497 0.33519 0.33616 Eigenvalues --- 0.33716 0.33729 0.34139 0.34527 0.34602 Eigenvalues --- 0.36071 0.37339 0.39177 0.43002 0.45230 Eigenvalues --- 0.46823 0.49208 0.53997 0.54499 0.59328 Eigenvalues --- 0.61601 0.63606 0.66659 0.72314 1.00058 Eigenvalues --- 1.01420 RFO step: Lambda=-1.44660024D-02 EMin= 2.29998328D-03 Quartic linear search produced a step of 0.10088. Iteration 1 RMS(Cart)= 0.14093323 RMS(Int)= 0.00574209 Iteration 2 RMS(Cart)= 0.00946235 RMS(Int)= 0.00052692 Iteration 3 RMS(Cart)= 0.00004217 RMS(Int)= 0.00052655 Iteration 4 RMS(Cart)= 0.00000001 RMS(Int)= 0.00052655 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79515 -0.00057 -0.00636 -0.00021 -0.00656 2.78859 R2 2.82275 -0.01309 -0.00576 -0.01933 -0.02509 2.79766 R3 3.10939 0.00635 0.00433 0.01030 0.01463 3.12402 R4 3.39204 0.01771 0.00968 0.02182 0.03149 3.42353 R5 1.78192 0.00461 -0.00167 0.00941 0.00774 1.78966 R6 2.04794 -0.00036 0.00126 -0.00117 0.00008 2.04802 R7 2.50664 -0.00209 -0.00421 -0.00218 -0.00639 2.50025 R8 2.03561 -0.00036 0.00211 -0.00125 0.00085 2.03647 R9 2.88721 -0.00306 0.00155 -0.00571 -0.00416 2.88305 R10 2.04033 -0.00002 0.00186 -0.00077 0.00109 2.04142 R11 2.68716 0.00399 -0.00891 0.01282 0.00457 2.69173 R12 2.92896 -0.00672 -0.00219 -0.02162 -0.02421 2.90475 R13 2.68351 -0.00207 -0.00202 -0.00717 -0.00850 2.67501 R14 2.03740 0.00284 -0.00000 0.00788 0.00788 2.04528 R15 2.86057 0.00192 -0.00169 0.00675 0.00506 2.86564 R16 2.88668 0.00135 -0.00023 0.00413 0.00355 2.89023 R17 2.05079 0.00202 -0.00051 0.00586 0.00535 2.05614 R18 2.05098 0.00055 -0.00037 0.00140 0.00103 2.05201 R19 2.04936 0.00119 -0.00070 0.00344 0.00274 2.05210 R20 2.03690 0.00212 0.00092 0.00543 0.00635 2.04325 R21 2.89073 -0.00226 -0.00252 -0.00221 -0.00522 2.88551 R22 2.66959 -0.00875 -0.00419 -0.01472 -0.01891 2.65068 R23 2.04259 0.00340 -0.00009 0.00965 0.00956 2.05215 R24 2.04990 -0.00092 -0.00043 -0.00267 -0.00310 2.04680 R25 3.10871 -0.00341 -0.00100 -0.00555 -0.00655 3.10215 R26 2.79379 -0.00571 0.00075 -0.00566 -0.00490 2.78888 R27 2.79627 -0.01373 -0.00062 -0.01362 -0.01424 2.78203 R28 3.08469 0.00499 0.00427 0.00722 0.01149 3.09618 R29 1.77971 0.00565 -0.00190 0.01161 0.00971 1.78942 A1 2.12855 -0.00032 0.01862 -0.01034 0.00674 2.13529 A2 1.88112 -0.00712 0.00097 -0.03909 -0.03981 1.84131 A3 1.90084 0.00404 -0.00870 0.02998 0.02112 1.92195 A4 1.91731 -0.00583 0.00439 -0.03365 -0.03063 1.88667 A5 1.89086 0.00107 -0.00752 0.01885 0.01130 1.90217 A6 1.69580 0.01082 -0.01161 0.04819 0.03608 1.73189 A7 1.92412 -0.00360 0.00425 -0.02217 -0.01792 1.90619 A8 2.05063 -0.00182 -0.00156 -0.01214 -0.01372 2.03691 A9 2.17693 -0.00218 -0.00231 -0.00666 -0.00899 2.16794 A10 2.05555 0.00400 0.00388 0.01892 0.02278 2.07833 A11 2.05253 0.00193 0.00091 0.01178 0.01268 2.06522 A12 2.19379 0.00302 0.00349 0.01436 0.01785 2.21164 A13 2.03676 -0.00495 -0.00440 -0.02615 -0.03055 2.00621 A14 1.89088 0.00339 0.00401 0.03311 0.03697 1.92785 A15 1.88588 0.00084 -0.00293 0.01584 0.01343 1.89931 A16 1.98146 -0.00199 0.00164 -0.00176 0.00015 1.98161 A17 1.94323 -0.00192 -0.00583 -0.03419 -0.03997 1.90326 A18 1.95363 -0.00169 0.00114 -0.02746 -0.02631 1.92732 A19 1.80737 0.00120 0.00151 0.01272 0.01280 1.82016 A20 1.92018 -0.00031 0.00268 0.02091 0.02239 1.94256 A21 1.86942 0.00070 -0.00097 0.01696 0.01612 1.88554 A22 1.93905 -0.00012 -0.00336 -0.02007 -0.02311 1.91594 A23 1.81624 -0.00148 0.00209 -0.00171 -0.00111 1.81513 A24 1.91649 -0.00056 0.00040 -0.00112 -0.00088 1.91561 A25 1.87869 0.00116 0.00218 0.01889 0.02110 1.89979 A26 2.03497 0.00035 -0.00019 -0.00978 -0.00956 2.02541 A27 1.90922 0.00204 0.00003 0.01316 0.01318 1.92240 A28 1.94338 -0.00060 0.00190 -0.00413 -0.00225 1.94113 A29 1.93224 -0.00031 0.00016 -0.00249 -0.00234 1.92990 A30 1.89653 -0.00049 -0.00059 -0.00101 -0.00162 1.89491 A31 1.89364 -0.00089 -0.00075 -0.00508 -0.00583 1.88781 A32 1.88778 0.00021 -0.00081 -0.00066 -0.00149 1.88629 A33 2.00248 -0.00129 -0.00089 -0.02371 -0.02359 1.97889 A34 1.70920 0.00060 0.00522 0.02301 0.02651 1.73570 A35 1.96298 -0.00128 -0.00535 -0.00932 -0.01507 1.94791 A36 2.04028 -0.00019 0.00076 -0.01748 -0.01616 2.02412 A37 1.88842 0.00131 0.00233 0.01407 0.01581 1.90423 A38 1.85296 0.00079 -0.00243 0.01490 0.01336 1.86632 A39 1.70954 0.00221 0.00059 0.04395 0.04213 1.75167 A40 1.90647 -0.00017 -0.00166 -0.00533 -0.00721 1.89926 A41 2.01076 -0.00077 0.00241 -0.00956 -0.00575 2.00501 A42 1.88300 -0.00061 -0.00420 0.00344 -0.00025 1.88275 A43 2.03273 -0.00082 0.00277 -0.02218 -0.01888 2.01385 A44 1.90930 0.00028 -0.00027 -0.00585 -0.00667 1.90264 A45 2.25636 -0.01845 -0.00597 -0.06886 -0.07484 2.18153 A46 1.80705 0.00610 -0.00388 0.03472 0.03073 1.83778 A47 1.93413 -0.00143 -0.00362 -0.00147 -0.00504 1.92908 A48 1.71428 0.00725 -0.00484 0.03372 0.02875 1.74303 A49 2.17348 -0.00161 0.00888 -0.01383 -0.00553 2.16795 A50 1.90103 -0.00316 -0.00175 -0.01571 -0.01821 1.88282 A51 1.87896 -0.00461 0.00236 -0.02392 -0.02193 1.85703 A52 1.92096 -0.00550 -0.00159 -0.03090 -0.03249 1.88848 D1 -2.74159 -0.00801 0.01102 -0.07560 -0.06328 -2.80487 D2 1.18590 0.00309 -0.01571 -0.00188 -0.01896 1.16694 D3 -0.77742 -0.00122 -0.00350 -0.03437 -0.03781 -0.81523 D4 0.99828 -0.00298 -0.00777 -0.02943 -0.03677 0.96151 D5 -2.15624 -0.00237 -0.00660 -0.01912 -0.02539 -2.18163 D6 -2.93455 0.00071 0.00392 -0.00379 -0.00008 -2.93463 D7 0.19411 0.00132 0.00509 0.00652 0.01130 0.20541 D8 -0.94977 -0.00083 0.00032 -0.01505 -0.01480 -0.96457 D9 2.17889 -0.00022 0.00149 -0.00474 -0.00342 2.17547 D10 -0.01287 -0.00041 -0.00156 -0.00837 -0.01002 -0.02289 D11 -3.13850 -0.00036 -0.00108 -0.00737 -0.00852 3.13617 D12 3.11576 0.00016 -0.00046 0.00175 0.00136 3.11711 D13 -0.00987 0.00021 0.00002 0.00275 0.00286 -0.00701 D14 1.03477 -0.00033 0.00328 0.00128 0.00456 1.03933 D15 -3.14099 -0.00020 -0.00306 -0.01151 -0.01403 3.12817 D16 -1.14688 0.00069 -0.00210 0.01297 0.01034 -1.13654 D17 -2.09099 -0.00033 0.00373 0.00196 0.00568 -2.08531 D18 0.01645 -0.00020 -0.00262 -0.01082 -0.01291 0.00353 D19 2.01055 0.00069 -0.00166 0.01366 0.01146 2.02201 D20 1.85056 -0.00084 0.00551 0.02801 0.03373 1.88429 D21 -2.35818 0.00270 0.00490 0.05836 0.06334 -2.29483 D22 -0.25600 0.00043 0.00419 0.01589 0.02008 -0.23592 D23 0.83904 -0.00278 -0.00198 -0.11175 -0.11395 0.72510 D24 -1.33473 -0.00232 -0.00580 -0.09427 -0.10012 -1.43486 D25 3.00742 -0.00311 -0.00418 -0.11960 -0.12344 2.88398 D26 -1.30851 -0.00445 -0.00922 -0.13304 -0.14254 -1.45106 D27 2.80090 -0.00399 -0.01304 -0.11556 -0.12872 2.67218 D28 0.85987 -0.00477 -0.01142 -0.14089 -0.15204 0.70783 D29 2.87958 -0.00202 -0.00377 -0.08590 -0.08977 2.78981 D30 0.70580 -0.00156 -0.00759 -0.06841 -0.07594 0.62986 D31 -1.23523 -0.00234 -0.00597 -0.09375 -0.09926 -1.33449 D32 1.67896 0.00204 0.00499 0.06864 0.07367 1.75263 D33 -2.51122 0.00173 0.00283 0.06625 0.06909 -2.44214 D34 -0.30772 0.00111 0.00201 0.04123 0.04356 -0.26416 D35 -3.13077 -0.00052 0.00165 -0.00275 -0.00140 -3.13217 D36 1.05594 -0.00086 0.00118 -0.00750 -0.00663 1.04931 D37 -1.04486 -0.00052 0.00084 -0.00223 -0.00170 -1.04655 D38 -1.06598 -0.00008 -0.00144 0.00514 0.00376 -1.06222 D39 3.12073 -0.00042 -0.00191 0.00039 -0.00147 3.11926 D40 1.01993 -0.00007 -0.00225 0.00566 0.00346 1.02340 D41 1.07589 0.00128 0.00167 0.02231 0.02425 1.10014 D42 -1.02058 0.00094 0.00120 0.01756 0.01902 -1.00157 D43 -3.12138 0.00129 0.00086 0.02284 0.02395 -3.09743 D44 0.74111 -0.00193 -0.00856 -0.07972 -0.08840 0.65271 D45 -1.21644 -0.00216 -0.00367 -0.10099 -0.10440 -1.32084 D46 2.91004 -0.00183 -0.00378 -0.08200 -0.08588 2.82416 D47 -1.23893 -0.00252 -0.00924 -0.10582 -0.11508 -1.35401 D48 3.08670 -0.00276 -0.00435 -0.12709 -0.13108 2.95563 D49 0.93000 -0.00243 -0.00446 -0.10810 -0.11256 0.81744 D50 2.88286 -0.00298 -0.01139 -0.11272 -0.12422 2.75864 D51 0.92531 -0.00322 -0.00650 -0.13399 -0.14021 0.78510 D52 -1.23139 -0.00288 -0.00661 -0.11499 -0.12169 -1.35309 D53 -0.85571 0.00114 0.01021 0.07781 0.08890 -0.76681 D54 1.12068 0.00168 0.00737 0.09106 0.09869 1.21937 D55 -3.00876 0.00097 0.00564 0.07023 0.07659 -2.93217 D56 -3.00213 0.00240 0.00747 0.09953 0.10759 -2.89455 D57 -1.02574 0.00294 0.00463 0.11278 0.11737 -0.90837 D58 1.12800 0.00223 0.00290 0.09195 0.09527 1.22328 D59 1.17310 0.00023 0.00582 0.08117 0.08747 1.26057 D60 -3.13370 0.00077 0.00297 0.09443 0.09726 -3.03644 D61 -0.97995 0.00006 0.00125 0.07359 0.07516 -0.90479 D62 -1.42438 0.00010 0.00054 -0.00205 -0.00234 -1.42672 D63 0.80576 -0.00151 -0.00281 -0.02900 -0.03196 0.77380 D64 3.00906 -0.00047 -0.00196 -0.03249 -0.03348 2.97558 D65 -3.00540 -0.00041 0.00292 -0.01535 -0.01281 -3.01821 D66 0.90992 -0.00210 -0.00288 -0.02378 -0.02662 0.88331 D67 -1.05369 0.00008 -0.00184 -0.01254 -0.01405 -1.06774 D68 -1.13058 -0.00385 -0.00057 -0.03019 -0.03081 -1.16139 D69 0.74441 0.00491 -0.00748 0.01717 0.00924 0.75365 D70 -3.13793 -0.00390 0.00467 -0.03533 -0.03016 3.11510 Item Value Threshold Converged? Maximum Force 0.018447 0.000450 NO RMS Force 0.003840 0.000300 NO Maximum Displacement 0.661238 0.001800 NO RMS Displacement 0.142030 0.001200 NO Predicted change in Energy=-1.014166D-02 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.634099 2.199070 -0.856635 2 8 0 2.463497 2.687427 -1.975192 3 8 0 1.275394 0.771168 -0.701142 4 8 0 0.234143 3.075295 -0.929323 5 6 0 2.283205 2.818489 0.717239 6 1 0 2.399852 3.892197 0.807209 7 6 0 2.613565 2.047772 1.740656 8 1 0 2.471132 0.983739 1.646429 9 6 0 3.169739 2.505969 3.085393 10 1 0 2.475322 3.174410 3.573206 11 8 0 3.373815 1.363735 3.911576 12 6 0 4.752016 1.078723 4.063653 13 1 0 5.069483 1.462470 5.024568 14 6 0 4.974734 -0.420353 4.011392 15 6 0 4.559423 3.155294 2.985820 16 1 0 4.663245 3.818966 2.138563 17 6 0 5.423011 1.896306 2.958879 18 1 0 5.259042 1.399971 2.007011 19 1 0 6.485335 2.058956 3.093640 20 8 0 4.889227 3.851903 4.157772 21 1 0 6.031493 -0.646810 4.137294 22 1 0 4.642876 -0.834180 3.063900 23 1 0 4.425319 -0.915745 4.806356 24 15 0 4.389505 5.372780 4.521125 25 8 0 5.119510 5.739232 5.750285 26 8 0 2.930989 5.489606 4.358600 27 8 0 5.061338 6.194769 3.273157 28 1 0 6.002886 6.155873 3.366085 29 1 0 -0.205196 3.030968 -0.091517 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.475656 0.000000 3 O 1.480456 2.589756 0.000000 4 O 1.653158 2.492850 2.538754 0.000000 5 C 1.811655 2.701641 2.686821 2.641168 0.000000 6 H 2.494280 3.032701 3.644221 2.893643 1.083767 7 C 2.779957 3.773487 3.063135 3.721054 1.323074 8 H 2.905681 4.002343 2.643117 4.001653 2.065192 9 C 4.241693 5.112849 4.575579 5.005977 2.547895 10 H 4.613289 5.569741 5.048311 5.030455 2.884465 11 O 5.143951 6.102038 5.102124 6.018412 3.675531 12 C 5.931763 6.655291 5.906332 7.023339 4.507805 13 H 6.850765 7.568904 6.903387 7.837763 5.306149 14 C 6.459017 7.197485 6.108422 7.687875 5.346576 15 C 4.923042 5.405871 5.482936 5.834621 3.231264 16 H 4.557520 4.800234 5.369406 5.438926 2.947152 17 C 5.385690 5.807723 5.644857 6.590332 3.966580 18 H 4.688202 5.032947 4.857874 6.056268 3.539960 19 H 6.257699 6.501017 6.572842 7.502972 4.886929 20 O 6.202580 6.697270 6.794098 6.939126 4.438082 21 H 7.237087 7.823696 6.931205 8.551839 6.144489 22 H 5.798615 6.522565 5.300247 7.118058 4.941342 23 H 7.040060 7.925969 6.565077 8.148151 5.937511 24 P 6.825321 7.288537 7.625260 7.228614 5.042862 25 O 8.266330 8.720717 9.004431 8.693707 6.473555 26 O 6.301446 6.941735 7.113764 6.408121 4.562237 27 O 6.690797 6.826082 7.716467 7.119956 5.064584 28 H 7.250789 7.286057 8.239330 7.824250 5.656019 29 H 2.158811 3.284535 2.769563 0.947049 2.625142 6 7 8 9 10 6 H 0.000000 7 C 2.078196 0.000000 8 H 3.027953 1.077651 0.000000 9 C 2.775694 1.525645 2.208134 0.000000 10 H 2.858610 2.155613 2.917452 1.080272 0.000000 11 O 4.120536 2.399746 2.467818 1.424403 2.049470 12 C 4.904359 3.302778 3.324820 2.344702 3.133014 13 H 5.551271 4.142244 4.288640 2.908318 3.430285 14 C 5.957759 4.101585 3.719213 3.560736 4.400157 15 C 3.154857 2.561914 3.297056 1.537127 2.165378 16 H 2.626940 2.738000 3.617467 2.202500 2.694561 17 C 4.213402 3.065941 3.356917 2.337719 3.271057 18 H 3.978151 2.736630 2.841780 2.598332 3.653861 19 H 5.027893 4.101377 4.400493 3.345604 4.189800 20 O 4.174313 3.778357 4.514465 2.432730 2.574423 21 H 6.699318 4.968589 4.641042 4.385904 5.250359 22 H 5.697583 3.764934 3.167101 3.650643 4.585464 23 H 6.573583 4.632861 4.172772 4.030673 4.696010 24 P 4.465873 4.684085 5.586387 3.430417 3.065204 25 O 5.936503 5.998647 6.816909 4.621389 4.278985 26 O 3.930166 4.335968 5.279221 3.252714 2.486887 27 O 4.297237 5.053488 6.042371 4.149777 3.987490 28 H 4.965272 5.568304 6.494726 4.628964 4.623389 29 H 2.887161 3.502705 3.791350 4.664608 4.542681 11 12 13 14 15 11 O 0.000000 12 C 1.415555 0.000000 13 H 2.030711 1.082314 0.000000 14 C 2.399140 1.516431 2.140216 0.000000 15 C 2.339310 2.347544 2.698574 3.742930 0.000000 16 H 3.291559 3.350042 3.747949 4.645033 1.081242 17 C 2.321738 1.529445 2.140156 2.583727 1.526944 18 H 2.680067 2.142440 3.024150 2.722490 2.128072 19 H 3.291490 2.214989 2.467572 3.044857 2.218720 20 O 2.923707 2.778167 2.548179 4.275618 1.402679 21 H 3.340134 2.149406 2.482294 1.088060 4.236611 22 H 2.675800 2.161161 3.049724 1.085875 3.991110 23 H 2.665018 2.153193 2.473554 1.085927 4.461579 24 P 4.180384 4.333546 4.000793 5.844887 2.702458 25 O 5.057002 4.969922 4.338186 6.401967 3.825271 26 O 4.173576 4.781111 4.608090 6.262991 3.159959 27 O 5.156956 5.185990 5.046004 6.656750 3.094009 28 H 5.493101 5.275294 5.064567 6.687321 3.351367 29 H 5.622610 6.756527 7.513770 7.455009 5.673364 16 17 18 19 20 16 H 0.000000 17 C 2.224137 0.000000 18 H 2.494758 1.085949 0.000000 19 H 2.707364 1.083120 1.766018 0.000000 20 O 2.032082 2.355129 3.282455 2.625756 0.000000 21 H 5.080372 2.868162 3.053538 2.935363 4.641509 22 H 4.744305 2.841688 2.547175 3.430127 4.818363 23 H 5.439780 3.509443 3.727461 4.003237 4.833874 24 P 2.857600 3.949002 4.781221 4.172726 1.641589 25 O 4.115839 4.759426 5.732430 4.740007 2.480148 26 O 3.274189 4.591427 5.260696 5.099300 2.560684 27 O 2.662747 4.325085 4.963094 4.377778 2.510216 28 H 2.960166 4.318100 5.001899 4.134212 2.678672 29 H 5.412570 6.501468 6.076337 7.473502 6.684575 21 22 23 24 25 21 H 0.000000 22 H 1.765089 0.000000 23 H 1.760615 1.757879 0.000000 24 P 6.251313 6.380757 6.295092 0.000000 25 O 6.649435 7.117134 6.757338 1.475814 0.000000 26 O 6.878787 6.678105 6.592574 1.472187 2.605518 27 O 6.963845 7.044503 7.301686 1.638429 2.519337 28 H 6.846318 7.127537 7.387210 2.133155 2.576500 29 H 8.384819 6.956999 7.810721 6.918947 8.355467 26 27 28 29 26 O 0.000000 27 O 2.492755 0.000000 28 H 3.296294 0.946922 0.000000 29 H 5.973617 7.004788 7.762752 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.734898 -0.557105 0.170425 2 8 0 -4.048152 -1.070660 1.517903 3 8 0 -4.306192 0.706377 -0.348214 4 8 0 -4.145711 -1.772545 -0.872106 5 6 0 -1.942154 -0.544154 -0.090335 6 1 0 -1.421415 -1.482774 0.059243 7 6 0 -1.250013 0.525439 -0.447317 8 1 0 -1.783009 1.446900 -0.615116 9 6 0 0.256487 0.602706 -0.675532 10 1 0 0.555591 -0.080937 -1.456658 11 8 0 0.594787 1.930391 -1.065058 12 6 0 1.274739 2.613063 -0.028032 13 1 0 2.333387 2.594112 -0.252328 14 6 0 0.791651 4.048681 0.043979 15 6 0 1.083440 0.358340 0.596943 16 1 0 0.701356 -0.446988 1.208941 17 6 0 1.016737 1.754673 1.211243 18 1 0 -0.002053 1.922459 1.547695 19 1 0 1.694745 1.931454 2.037199 20 8 0 2.430634 0.107808 0.297263 21 1 0 1.317521 4.581871 0.833311 22 1 0 -0.274239 4.094996 0.246119 23 1 0 0.979268 4.562000 -0.894392 24 15 0 3.036237 -1.343664 -0.173150 25 8 0 4.500729 -1.163544 -0.202243 26 8 0 2.247768 -1.895446 -1.287236 27 8 0 2.666184 -2.242996 1.145451 28 1 0 3.178995 -1.923710 1.874658 29 1 0 -3.705926 -1.635420 -1.699565 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5366751 0.2022622 0.1628873 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1601.1715653038 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 2.03D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999968 0.000786 -0.003413 0.007190 Ang= 0.92 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.56481656 A.U. after 13 cycles NFock= 13 Conv=0.32D-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 15 -0.005593809 -0.003537103 -0.009007732 2 8 0.004066291 0.000450359 -0.002193212 3 8 0.001667633 -0.003838451 0.002705157 4 8 -0.000638156 0.006173299 0.002790641 5 6 0.002772577 0.006378210 0.007720536 6 1 0.001102865 -0.001088618 -0.001060513 7 6 -0.000248117 -0.000867345 0.002197220 8 1 -0.000027334 0.000288035 0.000435822 9 6 -0.003691834 0.000998871 -0.008038100 10 1 0.002302045 -0.000901573 0.001638925 11 8 0.002577310 -0.003189111 0.001964672 12 6 -0.004474821 0.005529361 -0.002167245 13 1 0.001994058 -0.000960538 0.002030917 14 6 0.000657198 -0.001127325 -0.001222042 15 6 -0.001888649 0.003334225 0.005270822 16 1 -0.000801661 -0.005070750 -0.003503216 17 6 -0.004707884 -0.001548986 -0.004310171 18 1 0.003318722 -0.000749136 -0.001301268 19 1 -0.000461508 0.002607073 0.003170515 20 8 0.003003761 0.001815457 0.004122212 21 1 0.000344350 -0.000799180 0.000232688 22 1 -0.000066675 0.000941530 0.000056544 23 1 -0.000273146 0.000154352 0.000119598 24 15 -0.002941797 0.002558571 0.001698640 25 8 -0.000891300 -0.002368013 -0.001260049 26 8 0.002518418 -0.001613696 0.001004267 27 8 0.001942338 -0.002060219 -0.003941025 28 1 0.000533974 0.001681472 0.001287382 29 1 -0.002094851 -0.003190771 -0.000441985 ------------------------------------------------------------------- Cartesian Forces: Max 0.009007732 RMS 0.002986704 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.007617356 RMS 0.001646441 Search for a local minimum. Step number 5 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- RFO/linear search Update second derivatives using D2CorX and points 4 5 DE= -8.56D-03 DEPred=-1.01D-02 R= 8.44D-01 TightC=F SS= 1.41D+00 RLast= 6.21D-01 DXNew= 1.4270D+00 1.8631D+00 Trust test= 8.44D-01 RLast= 6.21D-01 DXMaxT set to 1.43D+00 ITU= 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00230 0.00470 0.00983 0.01904 0.02232 Eigenvalues --- 0.02388 0.03021 0.03072 0.03359 0.03573 Eigenvalues --- 0.03805 0.04014 0.04375 0.04444 0.04649 Eigenvalues --- 0.05078 0.05295 0.05441 0.05552 0.05675 Eigenvalues --- 0.05974 0.06329 0.06454 0.07737 0.07800 Eigenvalues --- 0.07972 0.08352 0.11459 0.13133 0.14732 Eigenvalues --- 0.15194 0.15499 0.15698 0.15996 0.16000 Eigenvalues --- 0.16000 0.16005 0.16019 0.16021 0.16274 Eigenvalues --- 0.16971 0.17399 0.18465 0.19949 0.20727 Eigenvalues --- 0.20903 0.21588 0.21654 0.23599 0.23856 Eigenvalues --- 0.24999 0.26017 0.27868 0.28283 0.28793 Eigenvalues --- 0.29185 0.31034 0.33433 0.33501 0.33544 Eigenvalues --- 0.33638 0.33768 0.34158 0.34472 0.34622 Eigenvalues --- 0.36082 0.37354 0.39170 0.43251 0.45109 Eigenvalues --- 0.46251 0.47974 0.54084 0.54464 0.58767 Eigenvalues --- 0.61503 0.63694 0.67373 0.72225 0.99005 Eigenvalues --- 1.01229 RFO step: Lambda=-4.18963676D-03 EMin= 2.30007738D-03 Quartic linear search produced a step of 0.21750. Iteration 1 RMS(Cart)= 0.07494455 RMS(Int)= 0.00213954 Iteration 2 RMS(Cart)= 0.00301356 RMS(Int)= 0.00017778 Iteration 3 RMS(Cart)= 0.00000403 RMS(Int)= 0.00017775 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00017775 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.78859 0.00410 -0.00143 0.00829 0.00686 2.79545 R2 2.79766 0.00358 -0.00546 0.00643 0.00097 2.79863 R3 3.12402 0.00379 0.00318 0.00717 0.01035 3.13437 R4 3.42353 0.00762 0.00685 0.01202 0.01887 3.44241 R5 1.78966 0.00073 0.00168 0.00201 0.00369 1.79335 R6 2.04802 -0.00105 0.00002 -0.00330 -0.00328 2.04474 R7 2.50025 0.00007 -0.00139 0.00030 -0.00109 2.49915 R8 2.03647 -0.00032 0.00019 -0.00105 -0.00086 2.03560 R9 2.88305 -0.00337 -0.00091 -0.00887 -0.00978 2.87328 R10 2.04142 -0.00130 0.00024 -0.00430 -0.00406 2.03736 R11 2.69173 0.00227 0.00099 0.00721 0.00829 2.70002 R12 2.90475 -0.00013 -0.00527 0.00139 -0.00390 2.90085 R13 2.67501 -0.00211 -0.00185 -0.00875 -0.01053 2.66448 R14 2.04528 0.00205 0.00171 0.00705 0.00877 2.05404 R15 2.86564 0.00095 0.00110 0.00400 0.00510 2.87073 R16 2.89023 -0.00145 0.00077 -0.00499 -0.00428 2.88595 R17 2.05614 0.00053 0.00116 0.00186 0.00302 2.05916 R18 2.05201 -0.00039 0.00022 -0.00129 -0.00106 2.05094 R19 2.05210 0.00016 0.00060 0.00059 0.00118 2.05329 R20 2.04325 -0.00044 0.00138 -0.00157 -0.00019 2.04306 R21 2.88551 -0.00313 -0.00114 -0.01077 -0.01196 2.87355 R22 2.65068 0.00342 -0.00411 0.00784 0.00372 2.65440 R23 2.05215 0.00098 0.00208 0.00330 0.00538 2.05753 R24 2.04680 0.00033 -0.00067 0.00114 0.00047 2.04727 R25 3.10215 -0.00229 -0.00143 -0.00450 -0.00592 3.09623 R26 2.78888 -0.00208 -0.00107 -0.00229 -0.00336 2.78552 R27 2.78203 -0.00273 -0.00310 -0.00310 -0.00620 2.77583 R28 3.09618 0.00285 0.00250 0.00486 0.00736 3.10354 R29 1.78942 0.00059 0.00211 0.00154 0.00365 1.79308 A1 2.13529 0.00051 0.00147 -0.00050 0.00043 2.13572 A2 1.84131 0.00346 -0.00866 0.02353 0.01469 1.85600 A3 1.92195 -0.00180 0.00459 -0.01268 -0.00813 1.91383 A4 1.88667 0.00287 -0.00666 0.01806 0.01121 1.89788 A5 1.90217 -0.00233 0.00246 -0.01617 -0.01376 1.88840 A6 1.73189 -0.00304 0.00785 -0.01160 -0.00370 1.72818 A7 1.90619 -0.00026 -0.00390 -0.00253 -0.00643 1.89977 A8 2.03691 0.00101 -0.00298 0.00420 0.00120 2.03811 A9 2.16794 -0.00300 -0.00196 -0.01476 -0.01674 2.15120 A10 2.07833 0.00199 0.00495 0.01057 0.01549 2.09382 A11 2.06522 -0.00000 0.00276 0.00075 0.00349 2.06871 A12 2.21164 0.00074 0.00388 0.00332 0.00719 2.21883 A13 2.00621 -0.00073 -0.00664 -0.00393 -0.01059 1.99562 A14 1.92785 0.00097 0.00804 0.01557 0.02365 1.95150 A15 1.89931 -0.00024 0.00292 -0.00619 -0.00309 1.89622 A16 1.98161 0.00080 0.00003 0.00474 0.00484 1.98644 A17 1.90326 0.00000 -0.00869 -0.00135 -0.01014 1.89312 A18 1.92732 -0.00075 -0.00572 -0.01140 -0.01718 1.91014 A19 1.82016 -0.00091 0.00278 -0.00274 -0.00037 1.81979 A20 1.94256 -0.00121 0.00487 -0.00330 0.00106 1.94362 A21 1.88554 0.00005 0.00351 0.01020 0.01359 1.89914 A22 1.91594 -0.00032 -0.00503 -0.00469 -0.00952 1.90642 A23 1.81513 0.00123 -0.00024 0.01228 0.01151 1.82664 A24 1.91561 0.00015 -0.00019 -0.00575 -0.00594 1.90967 A25 1.89979 0.00058 0.00459 0.00394 0.00840 1.90820 A26 2.02541 -0.00156 -0.00208 -0.01345 -0.01546 2.00995 A27 1.92240 0.00134 0.00287 0.01123 0.01411 1.93651 A28 1.94113 -0.00139 -0.00049 -0.01138 -0.01189 1.92924 A29 1.92990 -0.00037 -0.00051 -0.00326 -0.00380 1.92610 A30 1.89491 0.00012 -0.00035 0.00189 0.00158 1.89649 A31 1.88781 -0.00028 -0.00127 0.00054 -0.00073 1.88708 A32 1.88629 0.00060 -0.00032 0.00117 0.00078 1.88707 A33 1.97889 -0.00080 -0.00513 -0.01535 -0.02077 1.95812 A34 1.73570 0.00057 0.00577 0.00775 0.01295 1.74865 A35 1.94791 0.00156 -0.00328 0.02603 0.02265 1.97056 A36 2.02412 -0.00188 -0.00351 -0.03949 -0.04301 1.98111 A37 1.90423 0.00169 0.00344 0.03062 0.03388 1.93812 A38 1.86632 -0.00124 0.00290 -0.01104 -0.00811 1.85821 A39 1.75167 -0.00028 0.00916 0.00297 0.01110 1.76277 A40 1.89926 0.00044 -0.00157 0.02193 0.01981 1.91906 A41 2.00501 0.00012 -0.00125 -0.01866 -0.01990 1.98510 A42 1.88275 0.00144 -0.00005 0.02970 0.02936 1.91210 A43 2.01385 -0.00149 -0.00411 -0.03444 -0.03848 1.97536 A44 1.90264 -0.00006 -0.00145 0.00356 0.00247 1.90511 A45 2.18153 -0.00316 -0.01628 -0.01200 -0.02828 2.15325 A46 1.83778 -0.00113 0.00668 -0.00897 -0.00230 1.83548 A47 1.92908 -0.00155 -0.00110 -0.00980 -0.01088 1.91821 A48 1.74303 -0.00287 0.00625 -0.01325 -0.00699 1.73604 A49 2.16795 0.00012 -0.00120 0.00075 -0.00068 2.16728 A50 1.88282 0.00172 -0.00396 0.01068 0.00655 1.88936 A51 1.85703 0.00305 -0.00477 0.01763 0.01275 1.86978 A52 1.88848 -0.00019 -0.00707 -0.00121 -0.00828 1.88020 D1 -2.80487 0.00022 -0.01376 -0.03958 -0.05300 -2.85787 D2 1.16694 -0.00476 -0.00412 -0.06752 -0.07198 1.09497 D3 -0.81523 -0.00183 -0.00822 -0.05055 -0.05879 -0.87401 D4 0.96151 0.00082 -0.00800 -0.00208 -0.01011 0.95140 D5 -2.18163 0.00128 -0.00552 0.00811 0.00249 -2.17915 D6 -2.93463 -0.00218 -0.00002 -0.02866 -0.02858 -2.96321 D7 0.20541 -0.00172 0.00246 -0.01847 -0.01598 0.18943 D8 -0.96457 -0.00110 -0.00322 -0.01902 -0.02221 -0.98678 D9 2.17547 -0.00064 -0.00074 -0.00884 -0.00961 2.16586 D10 -0.02289 -0.00024 -0.00218 -0.00313 -0.00534 -0.02823 D11 3.13617 -0.00046 -0.00185 -0.01276 -0.01467 3.12149 D12 3.11711 0.00023 0.00030 0.00728 0.00763 3.12475 D13 -0.00701 0.00001 0.00062 -0.00235 -0.00170 -0.00872 D14 1.03933 0.00032 0.00099 0.01581 0.01683 1.05616 D15 3.12817 0.00076 -0.00305 0.01971 0.01679 -3.13823 D16 -1.13654 -0.00005 0.00225 0.01510 0.01716 -1.11938 D17 -2.08531 0.00010 0.00124 0.00643 0.00772 -2.07759 D18 0.00353 0.00054 -0.00281 0.01033 0.00767 0.01120 D19 2.02201 -0.00027 0.00249 0.00571 0.00804 2.03005 D20 1.88429 0.00054 0.00734 -0.01057 -0.00314 1.88115 D21 -2.29483 0.00157 0.01378 0.00383 0.01764 -2.27719 D22 -0.23592 0.00023 0.00437 -0.01145 -0.00704 -0.24296 D23 0.72510 -0.00139 -0.02478 -0.04604 -0.07077 0.65432 D24 -1.43486 0.00088 -0.02178 0.00374 -0.01801 -1.45287 D25 2.88398 0.00146 -0.02685 0.00338 -0.02359 2.86039 D26 -1.45106 -0.00269 -0.03100 -0.06129 -0.09217 -1.54323 D27 2.67218 -0.00041 -0.02800 -0.01151 -0.03941 2.63277 D28 0.70783 0.00017 -0.03307 -0.01187 -0.04498 0.66284 D29 2.78981 -0.00184 -0.01952 -0.05279 -0.07221 2.71760 D30 0.62986 0.00044 -0.01652 -0.00301 -0.01945 0.61041 D31 -1.33449 0.00101 -0.02159 -0.00337 -0.02503 -1.35952 D32 1.75263 0.00095 0.01602 0.03780 0.05385 1.80648 D33 -2.44214 0.00097 0.01503 0.03423 0.04920 -2.39293 D34 -0.26416 -0.00032 0.00947 0.02302 0.03242 -0.23174 D35 -3.13217 0.00017 -0.00030 0.01192 0.01156 -3.12060 D36 1.04931 0.00003 -0.00144 0.00951 0.00805 1.05737 D37 -1.04655 0.00044 -0.00037 0.01770 0.01727 -1.02928 D38 -1.06222 0.00012 0.00082 0.01807 0.01885 -1.04337 D39 3.11926 -0.00001 -0.00032 0.01565 0.01534 3.13460 D40 1.02340 0.00040 0.00075 0.02385 0.02456 1.04796 D41 1.10014 -0.00016 0.00527 0.00837 0.01369 1.11383 D42 -1.00157 -0.00030 0.00414 0.00596 0.01018 -0.99139 D43 -3.09743 0.00011 0.00521 0.01415 0.01940 -3.07803 D44 0.65271 0.00093 -0.01923 -0.02302 -0.04225 0.61046 D45 -1.32084 -0.00070 -0.02271 -0.06489 -0.08768 -1.40852 D46 2.82416 -0.00104 -0.01868 -0.07331 -0.09193 2.73224 D47 -1.35401 0.00001 -0.02503 -0.04243 -0.06750 -1.42151 D48 2.95563 -0.00161 -0.02851 -0.08430 -0.11293 2.84269 D49 0.81744 -0.00195 -0.02448 -0.09272 -0.11718 0.70027 D50 2.75864 0.00051 -0.02702 -0.02791 -0.05494 2.70370 D51 0.78510 -0.00112 -0.03050 -0.06979 -0.10038 0.68472 D52 -1.35309 -0.00146 -0.02647 -0.07820 -0.10462 -1.45771 D53 -0.76681 -0.00067 0.01934 0.01686 0.03636 -0.73044 D54 1.21937 0.00018 0.02146 0.05254 0.07434 1.29370 D55 -2.93217 0.00019 0.01666 0.05644 0.07312 -2.85905 D56 -2.89455 0.00086 0.02340 0.05005 0.07352 -2.82102 D57 -0.90837 0.00171 0.02553 0.08573 0.11149 -0.79688 D58 1.22328 0.00172 0.02072 0.08963 0.11028 1.33356 D59 1.26057 0.00087 0.01903 0.04500 0.06397 1.32454 D60 -3.03644 0.00172 0.02115 0.08068 0.10194 -2.93450 D61 -0.90479 0.00173 0.01635 0.08457 0.10073 -0.80407 D62 -1.42672 -0.00149 -0.00051 -0.05660 -0.05768 -1.48440 D63 0.77380 -0.00015 -0.00695 -0.03504 -0.04149 0.73231 D64 2.97558 -0.00222 -0.00728 -0.07157 -0.07878 2.89680 D65 -3.01821 -0.00165 -0.00279 -0.02876 -0.03157 -3.04978 D66 0.88331 0.00036 -0.00579 -0.01455 -0.02037 0.86294 D67 -1.06774 -0.00118 -0.00306 -0.02473 -0.02773 -1.09546 D68 -1.16139 -0.00118 -0.00670 -0.02674 -0.03345 -1.19483 D69 0.75365 -0.00307 0.00201 -0.03870 -0.03686 0.71678 D70 3.11510 0.00068 -0.00656 -0.01645 -0.02284 3.09226 Item Value Threshold Converged? Maximum Force 0.007617 0.000450 NO RMS Force 0.001646 0.000300 NO Maximum Displacement 0.266574 0.001800 NO RMS Displacement 0.074963 0.001200 NO Predicted change in Energy=-2.545829D-03 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.641795 2.184344 -0.833511 2 8 0 2.486765 2.678470 -1.942636 3 8 0 1.328981 0.747920 -0.654320 4 8 0 0.219250 3.033183 -0.916682 5 6 0 2.268525 2.831878 0.749616 6 1 0 2.380230 3.905328 0.827207 7 6 0 2.593579 2.058292 1.771817 8 1 0 2.458276 0.994022 1.675017 9 6 0 3.145268 2.499998 3.118060 10 1 0 2.462696 3.154863 3.635361 11 8 0 3.360714 1.341334 3.925849 12 6 0 4.735590 1.063006 4.068343 13 1 0 5.056494 1.379006 5.057601 14 6 0 4.961761 -0.431601 3.917530 15 6 0 4.526398 3.164707 3.034031 16 1 0 4.628275 3.784864 2.154321 17 6 0 5.417218 1.932510 3.014007 18 1 0 5.353508 1.452552 2.038786 19 1 0 6.454748 2.152761 3.234705 20 8 0 4.860934 3.879051 4.196287 21 1 0 6.014912 -0.681072 4.044000 22 1 0 4.640447 -0.768286 2.937068 23 1 0 4.393011 -0.977314 4.665406 24 15 0 4.400711 5.428272 4.465813 25 8 0 5.067674 5.815690 5.721937 26 8 0 2.960031 5.572311 4.218064 27 8 0 5.181352 6.162400 3.221273 28 1 0 6.112833 6.112948 3.395118 29 1 0 -0.243973 2.936564 -0.094067 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.479288 0.000000 3 O 1.480971 2.593693 0.000000 4 O 1.658638 2.513966 2.553971 0.000000 5 C 1.821642 2.705436 2.682660 2.648886 0.000000 6 H 2.503009 3.031263 3.642701 2.910604 1.082031 7 C 2.776602 3.767385 3.033550 3.716972 1.322495 8 H 2.894169 3.990687 2.600323 3.986015 2.066419 9 C 4.239691 5.106478 4.538671 5.012486 2.547224 10 H 4.646138 5.598355 5.047776 5.076312 2.910248 11 O 5.129995 6.082009 5.045595 6.015085 3.674651 12 C 5.903993 6.618066 5.831621 7.009236 4.497696 13 H 6.856671 7.569375 6.849720 7.863033 5.333137 14 C 6.359067 7.080938 5.957362 7.606953 5.285783 15 C 4.923406 5.400347 5.446859 5.846106 3.229136 16 H 4.517507 4.753445 5.291204 5.425458 2.906854 17 C 5.396354 5.806231 5.619035 6.609135 3.981282 18 H 4.749991 5.056956 4.893479 6.131377 3.616852 19 H 6.302055 6.544167 6.585710 7.542585 4.915418 20 O 6.207556 6.690624 6.768092 6.957239 4.438097 21 H 7.150165 7.718429 6.787795 8.484913 6.101574 22 H 5.650417 6.350590 5.114954 6.989245 4.834475 23 H 6.913997 7.788758 6.376848 8.041397 5.861468 24 P 6.798347 7.231377 7.586632 7.224425 5.009750 25 O 8.239977 8.674614 8.961962 8.678757 6.439126 26 O 6.223702 6.822941 7.048064 6.350171 4.474180 27 O 6.692881 6.787085 7.692696 7.178936 5.068138 28 H 7.301056 7.309968 8.250256 7.925333 5.704630 29 H 2.160725 3.307680 2.752860 0.949002 2.652434 6 7 8 9 10 6 H 0.000000 7 C 2.085509 0.000000 8 H 3.033245 1.077194 0.000000 9 C 2.794324 1.520472 2.195973 0.000000 10 H 2.907873 2.166193 2.917567 1.078125 0.000000 11 O 4.139686 2.396326 2.449748 1.428791 2.044433 12 C 4.912380 3.294364 3.304380 2.344591 3.119196 13 H 5.607221 4.162181 4.282619 2.944694 3.450250 14 C 5.918053 4.051164 3.650850 3.540208 4.380373 15 C 3.166170 2.559907 3.291796 1.535062 2.149549 16 H 2.613322 2.695802 3.567552 2.186088 2.698169 17 C 4.230532 3.087360 3.380680 2.344062 3.257212 18 H 4.040348 2.838203 2.953802 2.671759 3.715334 19 H 5.046706 4.130083 4.443770 3.329690 4.135361 20 O 4.183932 3.786042 4.522495 2.451095 2.567223 21 H 6.677854 4.936845 4.589954 4.383084 5.244008 22 H 5.603817 3.679269 3.075773 3.598611 4.541069 23 H 6.528649 4.563520 4.070847 4.005352 4.675682 24 P 4.431834 4.677617 5.587859 3.459387 3.100636 25 O 5.901714 5.986871 6.814323 4.633533 4.268456 26 O 3.822684 4.297294 5.261138 3.268551 2.535930 27 O 4.321135 5.063713 6.043027 4.191595 4.075271 28 H 5.039850 5.608965 6.520578 4.683653 4.704411 29 H 2.945113 3.507790 3.768989 4.689916 4.613279 11 12 13 14 15 11 O 0.000000 12 C 1.409984 0.000000 13 H 2.039105 1.086953 0.000000 14 C 2.388874 1.519128 2.141737 0.000000 15 C 2.340694 2.351746 2.750376 3.728746 0.000000 16 H 3.273509 3.329190 3.794807 4.582433 1.081140 17 C 2.325973 1.527179 2.147735 2.571539 1.520615 18 H 2.746744 2.157005 3.034283 2.689457 2.146183 19 H 3.272482 2.199550 2.424203 3.061729 2.186970 20 O 2.960372 2.821735 2.651477 4.320832 1.404650 21 H 3.338989 2.163115 2.487946 1.089659 4.245671 22 H 2.658176 2.154638 3.046411 1.085313 3.935841 23 H 2.643617 2.153312 2.479167 1.086553 4.453708 24 P 4.251614 4.396098 4.144493 5.912149 2.681329 25 O 5.114636 5.043080 4.486160 6.503518 3.813860 26 O 4.259942 4.848593 4.762750 6.335945 3.106766 27 O 5.201329 5.188453 5.125285 6.634293 3.074115 28 H 5.533908 5.277494 5.127369 6.665509 3.367386 29 H 5.630121 6.755141 7.553848 7.384925 5.709071 16 17 18 19 20 16 H 0.000000 17 C 2.189225 0.000000 18 H 2.445198 1.088796 0.000000 19 H 2.677124 1.083368 1.770098 0.000000 20 O 2.057335 2.344410 3.284104 2.538692 0.000000 21 H 5.043633 2.872095 3.001781 2.979768 4.706333 22 H 4.619959 2.811333 2.499498 3.451491 4.819957 23 H 5.388807 3.499027 3.704853 4.011861 4.901358 24 P 2.845271 3.919360 4.754433 4.057545 1.638456 25 O 4.128584 4.747015 5.717016 4.639757 2.474049 26 O 3.199537 4.553644 5.239313 4.987320 2.545788 27 O 2.664011 4.241528 4.859072 4.207009 2.503398 28 H 3.027121 4.255019 4.912790 3.978156 2.683173 29 H 5.432649 6.535850 6.171154 7.521166 6.734650 21 22 23 24 25 21 H 0.000000 22 H 1.766934 0.000000 23 H 1.761949 1.758428 0.000000 24 P 6.333061 6.386852 6.408700 0.000000 25 O 6.776477 7.161477 6.907701 1.474036 0.000000 26 O 6.961853 6.683406 6.719460 1.468905 2.600582 27 O 6.942968 6.957568 7.326835 1.642322 2.527143 28 H 6.825639 7.051887 7.405622 2.132259 2.568035 29 H 8.329738 6.838952 7.711852 6.969520 8.386231 26 27 28 29 26 O 0.000000 27 O 2.505207 0.000000 28 H 3.302981 0.948855 0.000000 29 H 5.983919 7.129631 7.916616 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.708844 -0.596125 0.180995 2 8 0 -3.985605 -1.124309 1.534774 3 8 0 -4.268971 0.688140 -0.298795 4 8 0 -4.135309 -1.794375 -0.883620 5 6 0 -1.911355 -0.578434 -0.114131 6 1 0 -1.385044 -1.513292 0.026684 7 6 0 -1.245760 0.507046 -0.471496 8 1 0 -1.795068 1.421585 -0.620582 9 6 0 0.250068 0.627486 -0.716094 10 1 0 0.579224 -0.020476 -1.512432 11 8 0 0.546346 1.977246 -1.079152 12 6 0 1.215145 2.653989 -0.038584 13 1 0 2.270279 2.726958 -0.289255 14 6 0 0.632765 4.049576 0.106049 15 6 0 1.104786 0.375655 0.533888 16 1 0 0.698585 -0.410774 1.154689 17 6 0 1.046584 1.750455 1.181043 18 1 0 0.063747 1.903498 1.623858 19 1 0 1.805298 1.896787 1.940401 20 8 0 2.455400 0.134035 0.233055 21 1 0 1.144809 4.606131 0.890532 22 1 0 -0.423562 3.997962 0.349794 23 1 0 0.738437 4.601492 -0.823908 24 15 0 3.039319 -1.343716 -0.166731 25 8 0 4.498962 -1.166402 -0.270570 26 8 0 2.204411 -1.944405 -1.215437 27 8 0 2.716819 -2.148088 1.228333 28 1 0 3.284132 -1.796090 1.902558 29 1 0 -3.747785 -1.605535 -1.729060 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5324194 0.2040105 0.1637201 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1601.5294664629 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 2.04D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999982 0.000884 -0.002266 -0.005511 Ang= 0.69 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.56750908 A.U. after 11 cycles NFock= 11 Conv=0.98D-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 15 0.001018968 0.000259281 -0.003796733 2 8 -0.001924261 -0.000435133 0.000347152 3 8 -0.001186711 -0.002363997 0.000260582 4 8 0.001359746 0.002405241 0.002453214 5 6 0.000671822 0.003386607 0.001999742 6 1 0.001250994 -0.000379843 0.000263906 7 6 -0.000073037 -0.000633888 0.002571394 8 1 -0.000567600 0.000431615 -0.000403116 9 6 -0.000101176 0.001291276 -0.000323805 10 1 -0.001117299 -0.000277468 0.000230310 11 8 0.000681622 -0.000325873 0.001324891 12 6 -0.000865502 -0.000084836 -0.000722838 13 1 -0.000117223 -0.000069157 -0.000540835 14 6 0.000368939 -0.001356845 0.000282782 15 6 0.001595420 0.001126018 -0.001382788 16 1 -0.000818126 0.000367841 0.000538037 17 6 0.000627219 -0.002519372 -0.002361115 18 1 0.000971294 0.000675898 0.001164043 19 1 -0.000056668 0.000716126 0.001015291 20 8 -0.000650252 -0.001292995 -0.001034075 21 1 -0.000506260 0.000358864 -0.000036068 22 1 0.000039110 0.000054555 0.000107858 23 1 0.000061448 -0.000083842 -0.000201768 24 15 -0.000555691 0.000125653 0.001137986 25 8 0.000990554 0.000323042 -0.000173290 26 8 -0.001282974 0.000955195 -0.000841303 27 8 0.002274646 -0.001518257 -0.000117024 28 1 -0.001598623 0.001661411 0.000464995 29 1 -0.000490379 -0.002797118 -0.002227423 ------------------------------------------------------------------- Cartesian Forces: Max 0.003796733 RMS 0.001240504 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004038001 RMS 0.000787001 Search for a local minimum. Step number 6 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Update second derivatives using D2CorX and points 5 6 DE= -2.69D-03 DEPred=-2.55D-03 R= 1.06D+00 TightC=F SS= 1.41D+00 RLast= 4.66D-01 DXNew= 2.4000D+00 1.3993D+00 Trust test= 1.06D+00 RLast= 4.66D-01 DXMaxT set to 1.43D+00 ITU= 1 1 1 0 1 0 Use linear search instead of GDIIS. Eigenvalues --- 0.00231 0.00455 0.00878 0.01884 0.02092 Eigenvalues --- 0.02393 0.02977 0.03074 0.03257 0.03472 Eigenvalues --- 0.03701 0.04104 0.04373 0.04423 0.04969 Eigenvalues --- 0.05228 0.05342 0.05462 0.05547 0.05611 Eigenvalues --- 0.05830 0.06421 0.06473 0.07622 0.07830 Eigenvalues --- 0.08062 0.08290 0.11800 0.13524 0.14791 Eigenvalues --- 0.15214 0.15572 0.15795 0.15975 0.16000 Eigenvalues --- 0.16000 0.16001 0.16014 0.16050 0.16484 Eigenvalues --- 0.17281 0.17459 0.18635 0.19905 0.20669 Eigenvalues --- 0.20911 0.21615 0.21755 0.23664 0.23882 Eigenvalues --- 0.25035 0.26067 0.27735 0.28280 0.28973 Eigenvalues --- 0.29644 0.31791 0.33431 0.33502 0.33549 Eigenvalues --- 0.33637 0.33864 0.34152 0.34554 0.34623 Eigenvalues --- 0.36187 0.37358 0.39172 0.43372 0.45076 Eigenvalues --- 0.46076 0.48051 0.54096 0.54859 0.59508 Eigenvalues --- 0.61538 0.63824 0.66450 0.72246 0.99329 Eigenvalues --- 1.01227 RFO step: Lambda=-1.17505721D-03 EMin= 2.30546718D-03 Quartic linear search produced a step of 0.24281. Iteration 1 RMS(Cart)= 0.05664705 RMS(Int)= 0.00150381 Iteration 2 RMS(Cart)= 0.00191781 RMS(Int)= 0.00008220 Iteration 3 RMS(Cart)= 0.00000200 RMS(Int)= 0.00008219 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00008219 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79545 -0.00150 0.00167 -0.00355 -0.00188 2.79357 R2 2.79863 0.00258 0.00024 0.00361 0.00385 2.80248 R3 3.13437 -0.00096 0.00251 -0.00034 0.00217 3.13654 R4 3.44241 0.00404 0.00458 0.00986 0.01444 3.45685 R5 1.79335 -0.00141 0.00090 -0.00323 -0.00233 1.79102 R6 2.04474 -0.00023 -0.00080 -0.00084 -0.00164 2.04310 R7 2.49915 0.00041 -0.00027 0.00005 -0.00022 2.49894 R8 2.03560 -0.00032 -0.00021 -0.00082 -0.00103 2.03457 R9 2.87328 -0.00129 -0.00237 -0.00447 -0.00684 2.86643 R10 2.03736 0.00065 -0.00099 0.00219 0.00121 2.03857 R11 2.70002 0.00093 0.00201 0.00238 0.00441 2.70444 R12 2.90085 0.00088 -0.00095 0.00194 0.00104 2.90189 R13 2.66448 -0.00030 -0.00256 -0.00234 -0.00493 2.65955 R14 2.05404 -0.00055 0.00213 -0.00105 0.00108 2.05513 R15 2.87073 0.00099 0.00124 0.00463 0.00587 2.87660 R16 2.88595 0.00070 -0.00104 0.00344 0.00236 2.88831 R17 2.05916 -0.00058 0.00073 -0.00175 -0.00102 2.05814 R18 2.05094 -0.00013 -0.00026 -0.00046 -0.00072 2.05023 R19 2.05329 -0.00013 0.00029 -0.00034 -0.00005 2.05324 R20 2.04306 -0.00030 -0.00005 -0.00073 -0.00078 2.04228 R21 2.87355 0.00175 -0.00290 0.00727 0.00436 2.87791 R22 2.65440 -0.00053 0.00090 -0.00183 -0.00092 2.65348 R23 2.05753 -0.00140 0.00131 -0.00430 -0.00300 2.05453 R24 2.04727 0.00030 0.00011 0.00100 0.00111 2.04838 R25 3.09623 0.00159 -0.00144 0.00299 0.00155 3.09779 R26 2.78552 0.00039 -0.00082 0.00024 -0.00057 2.78495 R27 2.77583 0.00149 -0.00151 0.00100 -0.00051 2.77532 R28 3.10354 0.00012 0.00179 0.00150 0.00329 3.10683 R29 1.79308 -0.00157 0.00089 -0.00359 -0.00270 1.79037 A1 2.13572 -0.00014 0.00010 0.00195 0.00198 2.13770 A2 1.85600 -0.00042 0.00357 -0.00385 -0.00029 1.85571 A3 1.91383 0.00050 -0.00197 0.00335 0.00135 1.91518 A4 1.89788 -0.00098 0.00272 -0.00709 -0.00438 1.89351 A5 1.88840 0.00141 -0.00334 0.00770 0.00433 1.89273 A6 1.72818 -0.00056 -0.00090 -0.00390 -0.00479 1.72339 A7 1.89977 -0.00084 -0.00156 -0.00697 -0.00853 1.89123 A8 2.03811 0.00106 0.00029 0.00676 0.00703 2.04514 A9 2.15120 -0.00068 -0.00406 -0.00561 -0.00969 2.14151 A10 2.09382 -0.00038 0.00376 -0.00119 0.00256 2.09639 A11 2.06871 -0.00063 0.00085 -0.00360 -0.00276 2.06595 A12 2.21883 -0.00001 0.00175 0.00056 0.00230 2.22113 A13 1.99562 0.00064 -0.00257 0.00304 0.00047 1.99609 A14 1.95150 -0.00047 0.00574 -0.00371 0.00200 1.95350 A15 1.89622 -0.00052 -0.00075 -0.00535 -0.00605 1.89017 A16 1.98644 0.00057 0.00117 0.00226 0.00345 1.98989 A17 1.89312 0.00018 -0.00246 0.00005 -0.00239 1.89072 A18 1.91014 0.00031 -0.00417 0.00590 0.00174 1.91188 A19 1.81979 -0.00005 -0.00009 0.00092 0.00069 1.82048 A20 1.94362 0.00031 0.00026 0.00169 0.00152 1.94514 A21 1.89914 -0.00048 0.00330 -0.00760 -0.00429 1.89484 A22 1.90642 0.00025 -0.00231 0.00406 0.00186 1.90828 A23 1.82664 0.00035 0.00279 0.00955 0.01207 1.83871 A24 1.90967 0.00011 -0.00144 -0.00208 -0.00357 1.90610 A25 1.90820 -0.00028 0.00204 -0.00679 -0.00478 1.90342 A26 2.00995 0.00003 -0.00375 0.00267 -0.00102 2.00893 A27 1.93651 -0.00038 0.00343 -0.00195 0.00148 1.93799 A28 1.92924 -0.00002 -0.00289 -0.00099 -0.00388 1.92537 A29 1.92610 0.00032 -0.00092 0.00241 0.00147 1.92757 A30 1.89649 0.00014 0.00038 0.00023 0.00062 1.89711 A31 1.88708 0.00006 -0.00018 0.00058 0.00040 1.88747 A32 1.88707 -0.00011 0.00019 -0.00022 -0.00005 1.88702 A33 1.95812 0.00045 -0.00504 0.00094 -0.00416 1.95396 A34 1.74865 -0.00008 0.00314 0.00612 0.00905 1.75770 A35 1.97056 -0.00118 0.00550 -0.01473 -0.00922 1.96134 A36 1.98111 0.00024 -0.01044 0.00615 -0.00425 1.97686 A37 1.93812 -0.00011 0.00823 -0.00181 0.00634 1.94446 A38 1.85821 0.00069 -0.00197 0.00416 0.00223 1.86044 A39 1.76277 -0.00006 0.00270 0.00380 0.00588 1.76865 A40 1.91906 0.00023 0.00481 0.00692 0.01154 1.93060 A41 1.98510 -0.00012 -0.00483 -0.00690 -0.01177 1.97334 A42 1.91210 0.00012 0.00713 0.00697 0.01395 1.92606 A43 1.97536 -0.00020 -0.00934 -0.01166 -0.02093 1.95443 A44 1.90511 0.00005 0.00060 0.00171 0.00251 1.90762 A45 2.15325 -0.00001 -0.00687 -0.00361 -0.01048 2.14277 A46 1.83548 0.00048 -0.00056 0.00412 0.00354 1.83902 A47 1.91821 0.00069 -0.00264 0.00442 0.00177 1.91997 A48 1.73604 0.00002 -0.00170 -0.00095 -0.00265 1.73339 A49 2.16728 0.00073 -0.00016 0.00517 0.00495 2.17223 A50 1.88936 -0.00163 0.00159 -0.01082 -0.00925 1.88012 A51 1.86978 -0.00044 0.00310 -0.00328 -0.00020 1.86958 A52 1.88020 0.00020 -0.00201 -0.00031 -0.00232 1.87788 D1 -2.85787 -0.00233 -0.01287 -0.05980 -0.07264 -2.93051 D2 1.09497 -0.00112 -0.01748 -0.05429 -0.07179 1.02318 D3 -0.87401 -0.00213 -0.01427 -0.05885 -0.07312 -0.94714 D4 0.95140 -0.00125 -0.00246 -0.02025 -0.02273 0.92868 D5 -2.17915 -0.00110 0.00060 -0.01565 -0.01507 -2.19421 D6 -2.96321 0.00019 -0.00694 -0.00827 -0.01519 -2.97840 D7 0.18943 0.00034 -0.00388 -0.00367 -0.00753 0.18190 D8 -0.98678 -0.00069 -0.00539 -0.01530 -0.02069 -1.00747 D9 2.16586 -0.00054 -0.00233 -0.01070 -0.01303 2.15283 D10 -0.02823 -0.00003 -0.00130 -0.00016 -0.00145 -0.02968 D11 3.12149 0.00000 -0.00356 0.00089 -0.00267 3.11882 D12 3.12475 0.00011 0.00185 0.00454 0.00640 3.13115 D13 -0.00872 0.00015 -0.00041 0.00559 0.00518 -0.00354 D14 1.05616 0.00055 0.00409 0.02089 0.02499 1.08115 D15 -3.13823 0.00014 0.00408 0.01518 0.01932 -3.11891 D16 -1.11938 0.00006 0.00417 0.01415 0.01824 -1.10114 D17 -2.07759 0.00059 0.00187 0.02193 0.02382 -2.05377 D18 0.01120 0.00018 0.00186 0.01622 0.01815 0.02935 D19 2.03005 0.00010 0.00195 0.01519 0.01707 2.04712 D20 1.88115 0.00028 -0.00076 -0.01611 -0.01686 1.86429 D21 -2.27719 -0.00050 0.00428 -0.02380 -0.01947 -2.29666 D22 -0.24296 -0.00009 -0.00171 -0.01655 -0.01821 -0.26117 D23 0.65432 0.00043 -0.01718 0.01030 -0.00688 0.64744 D24 -1.45287 -0.00001 -0.00437 -0.00088 -0.00526 -1.45813 D25 2.86039 -0.00032 -0.00573 -0.00343 -0.00915 2.85124 D26 -1.54323 0.00037 -0.02238 0.00880 -0.01358 -1.55680 D27 2.63277 -0.00007 -0.00957 -0.00239 -0.01196 2.62080 D28 0.66284 -0.00037 -0.01092 -0.00493 -0.01585 0.64699 D29 2.71760 0.00006 -0.01753 0.00559 -0.01196 2.70564 D30 0.61041 -0.00038 -0.00472 -0.00559 -0.01035 0.60006 D31 -1.35952 -0.00069 -0.00608 -0.00814 -0.01424 -1.37376 D32 1.80648 -0.00012 0.01308 0.02446 0.03752 1.84400 D33 -2.39293 -0.00013 0.01195 0.01983 0.03176 -2.36118 D34 -0.23174 0.00026 0.00787 0.03092 0.03886 -0.19288 D35 -3.12060 0.00031 0.00281 0.01042 0.01316 -3.10745 D36 1.05737 0.00041 0.00196 0.01208 0.01399 1.07135 D37 -1.02928 0.00035 0.00419 0.01145 0.01558 -1.01370 D38 -1.04337 -0.00006 0.00458 0.00237 0.00693 -1.03643 D39 3.13460 0.00003 0.00372 0.00403 0.00776 -3.14082 D40 1.04796 -0.00003 0.00596 0.00340 0.00936 1.05731 D41 1.11383 -0.00032 0.00332 -0.00634 -0.00295 1.11088 D42 -0.99139 -0.00023 0.00247 -0.00467 -0.00213 -0.99351 D43 -3.07803 -0.00029 0.00471 -0.00530 -0.00053 -3.07856 D44 0.61046 -0.00051 -0.01026 -0.03403 -0.04435 0.56611 D45 -1.40852 -0.00070 -0.02129 -0.04651 -0.06791 -1.47643 D46 2.73224 -0.00085 -0.02232 -0.04906 -0.07142 2.66081 D47 -1.42151 0.00000 -0.01639 -0.02705 -0.04342 -1.46493 D48 2.84269 -0.00019 -0.02742 -0.03953 -0.06698 2.77571 D49 0.70027 -0.00035 -0.02845 -0.04208 -0.07049 0.62978 D50 2.70370 0.00006 -0.01334 -0.02084 -0.03418 2.66952 D51 0.68472 -0.00013 -0.02437 -0.03332 -0.05774 0.62697 D52 -1.45771 -0.00029 -0.02540 -0.03587 -0.06125 -1.51896 D53 -0.73044 0.00059 0.00883 0.02450 0.03334 -0.69711 D54 1.29370 0.00087 0.01805 0.03690 0.05505 1.34875 D55 -2.85905 0.00087 0.01775 0.03616 0.05387 -2.80517 D56 -2.82102 -0.00000 0.01785 0.01689 0.03475 -2.78628 D57 -0.79688 0.00027 0.02707 0.02929 0.05646 -0.74042 D58 1.33356 0.00028 0.02678 0.02855 0.05528 1.38884 D59 1.32454 -0.00051 0.01553 0.01237 0.02787 1.35241 D60 -2.93450 -0.00023 0.02475 0.02477 0.04958 -2.88492 D61 -0.80407 -0.00022 0.02446 0.02403 0.04841 -0.75566 D62 -1.48440 -0.00069 -0.01400 -0.03360 -0.04777 -1.53217 D63 0.73231 -0.00112 -0.01007 -0.04559 -0.05556 0.67674 D64 2.89680 -0.00043 -0.01913 -0.03634 -0.05541 2.84140 D65 -3.04978 0.00036 -0.00767 -0.01880 -0.02644 -3.07622 D66 0.86294 -0.00150 -0.00494 -0.03222 -0.03718 0.82576 D67 -1.09546 -0.00125 -0.00673 -0.02958 -0.03632 -1.13178 D68 -1.19483 -0.00080 -0.00812 -0.02733 -0.03546 -1.23029 D69 0.71678 -0.00075 -0.00895 -0.02639 -0.03535 0.68143 D70 3.09226 -0.00143 -0.00554 -0.03072 -0.03624 3.05602 Item Value Threshold Converged? Maximum Force 0.004038 0.000450 NO RMS Force 0.000787 0.000300 NO Maximum Displacement 0.265986 0.001800 NO RMS Displacement 0.056655 0.001200 NO Predicted change in Energy=-7.188496D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.637947 2.156850 -0.814347 2 8 0 2.474445 2.642004 -1.932490 3 8 0 1.323569 0.720668 -0.619762 4 8 0 0.211484 3.001266 -0.898335 5 6 0 2.267405 2.830778 0.765492 6 1 0 2.394748 3.902515 0.829370 7 6 0 2.582006 2.062733 1.794969 8 1 0 2.434801 1.000056 1.704288 9 6 0 3.135433 2.505698 3.135990 10 1 0 2.450312 3.153152 3.660529 11 8 0 3.357081 1.340977 3.937501 12 6 0 4.729247 1.051674 4.056518 13 1 0 5.055978 1.328145 5.056280 14 6 0 4.949264 -0.440684 3.852430 15 6 0 4.514164 3.176657 3.052202 16 1 0 4.611158 3.791746 2.168895 17 6 0 5.423061 1.954784 3.037153 18 1 0 5.420306 1.493516 2.052649 19 1 0 6.441335 2.203146 3.313547 20 8 0 4.829733 3.896914 4.215523 21 1 0 5.999911 -0.701085 3.972916 22 1 0 4.629479 -0.736145 2.858689 23 1 0 4.374039 -1.011532 4.576163 24 15 0 4.401525 5.464365 4.432250 25 8 0 4.996931 5.857177 5.721852 26 8 0 2.988968 5.653032 4.077310 27 8 0 5.296849 6.152505 3.237342 28 1 0 6.206814 6.102508 3.496336 29 1 0 -0.269991 2.854582 -0.095260 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478292 0.000000 3 O 1.483009 2.596017 0.000000 4 O 1.659786 2.513869 2.552541 0.000000 5 C 1.829286 2.712491 2.694869 2.650320 0.000000 6 H 2.514338 3.036957 3.656714 2.926406 1.081164 7 C 2.776443 3.773735 3.035742 3.708653 1.322381 8 H 2.883863 3.990453 2.591158 3.965050 2.064195 9 C 4.239023 5.113216 4.535951 5.007079 2.545272 10 H 4.655864 5.616380 5.050487 5.081207 2.918668 11 O 5.118704 6.076884 5.028777 6.003053 3.669951 12 C 5.873915 6.594050 5.794463 6.982955 4.478474 13 H 6.843533 7.565279 6.820363 7.856583 5.333377 14 C 6.284172 7.006640 5.873236 7.540779 5.236795 15 C 4.925731 5.412344 5.449320 5.843848 3.224376 16 H 4.518031 4.765377 5.293049 5.421245 2.895890 17 C 5.403885 5.819276 5.630444 6.613904 3.985722 18 H 4.792277 5.087088 4.952002 6.173609 3.658665 19 H 6.333577 6.591641 6.622703 7.562275 4.930335 20 O 6.206039 6.702258 6.764740 6.948522 4.427741 21 H 7.079012 7.647156 6.706881 8.422730 6.057494 22 H 5.550665 6.245916 5.015074 6.899432 4.762753 23 H 6.825133 7.701905 6.269251 7.962382 5.807105 24 P 6.789977 7.224215 7.582829 7.213767 4.993532 25 O 8.227824 8.676937 8.949491 8.653532 6.416768 26 O 6.162536 6.741567 7.011723 6.285167 4.410659 27 O 6.765280 6.856877 7.756872 7.272900 5.130444 28 H 7.417867 7.441628 8.351799 8.054491 5.803506 29 H 2.155027 3.309461 2.714429 0.947768 2.679522 6 7 8 9 10 6 H 0.000000 7 C 2.086203 0.000000 8 H 3.031724 1.076650 0.000000 9 C 2.796464 1.516850 2.192627 0.000000 10 H 2.929180 2.164872 2.909113 1.078762 0.000000 11 O 4.141019 2.390003 2.440096 1.431126 2.045219 12 C 4.898128 3.278336 3.286356 2.345592 3.125150 13 H 5.619279 4.158882 4.267794 2.960175 3.473941 14 C 5.876038 4.012998 3.607322 3.533333 4.381466 15 C 3.155912 2.560213 3.298213 1.535613 2.151767 16 H 2.592117 2.691981 3.570143 2.183337 2.702227 17 C 4.223582 3.102623 3.408480 2.355105 3.265260 18 H 4.056315 2.906261 3.045997 2.723745 3.763049 19 H 5.043200 4.149725 4.482127 3.324464 4.117181 20 O 4.170758 3.778303 4.520375 2.443671 2.553986 21 H 6.638691 4.905530 4.555279 4.380541 5.249037 22 H 5.534377 3.627308 3.027152 3.580310 4.529718 23 H 6.488752 4.516362 4.006844 3.997393 4.678002 24 P 4.409907 4.673007 5.589260 3.469436 3.121617 25 O 5.876091 5.970768 6.804187 4.624313 4.248067 26 O 3.737181 4.273750 5.252478 3.288350 2.590996 27 O 4.391239 5.116351 6.090099 4.240424 4.156679 28 H 5.146313 5.688028 6.593522 4.743445 4.778804 29 H 3.008976 3.511962 3.740794 4.707399 4.647057 11 12 13 14 15 11 O 0.000000 12 C 1.407374 0.000000 13 H 2.034228 1.087526 0.000000 14 C 2.390941 1.522233 2.142288 0.000000 15 C 2.343569 2.360182 2.779727 3.730259 0.000000 16 H 3.272147 3.329423 3.821542 4.567502 1.080729 17 C 2.335735 1.528427 2.145763 2.574379 1.522923 18 H 2.798720 2.165243 3.030162 2.683696 2.157119 19 H 3.262711 2.192975 2.392062 3.083263 2.174859 20 O 2.962906 2.851450 2.712311 4.354409 1.404162 21 H 3.340034 2.166505 2.486456 1.089121 4.253474 22 H 2.664070 2.154309 3.045094 1.084934 3.919281 23 H 2.641286 2.157087 2.483877 1.086527 4.459038 24 P 4.282286 4.440767 4.233915 5.958675 2.674103 25 O 5.125337 5.092921 4.578056 6.569632 3.813828 26 O 4.329997 4.919502 4.892398 6.405210 3.083749 27 O 5.234857 5.197278 5.161492 6.630935 3.082620 28 H 5.566667 5.292251 5.152900 6.672450 3.409241 29 H 5.631146 6.743895 7.565337 7.326913 5.735712 16 17 18 19 20 16 H 0.000000 17 C 2.188033 0.000000 18 H 2.439281 1.087209 0.000000 19 H 2.680192 1.083956 1.770858 0.000000 20 O 2.060952 2.347864 3.286810 2.505928 0.000000 21 H 5.036732 2.874378 2.973154 3.010679 4.750766 22 H 4.580170 2.811178 2.499300 3.482693 4.831805 23 H 5.377978 3.502575 3.706490 4.025180 4.942728 24 P 2.822122 3.912415 4.740048 4.005979 1.639279 25 O 4.127751 4.755825 5.716978 4.608490 2.477824 26 O 3.120566 4.547942 5.226110 4.940029 2.547836 27 O 2.680473 4.204387 4.808837 4.112553 2.502544 28 H 3.106097 4.246025 4.893427 3.910682 2.697819 29 H 5.461712 6.559916 6.232616 7.555543 6.758439 21 22 23 24 25 21 H 0.000000 22 H 1.766583 0.000000 23 H 1.761745 1.758068 0.000000 24 P 6.385813 6.401123 6.477554 0.000000 25 O 6.861163 7.197543 6.991407 1.473732 0.000000 26 O 7.032175 6.708048 6.825225 1.468637 2.603480 27 O 6.928713 6.931253 7.346254 1.644064 2.519913 28 H 6.823402 7.047109 7.425271 2.131250 2.544981 29 H 8.276745 6.754550 7.637803 7.009449 8.402074 26 27 28 29 26 O 0.000000 27 O 2.506259 0.000000 28 H 3.300620 0.947425 0.000000 29 H 5.988529 7.278204 8.086878 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.694276 -0.623125 0.188491 2 8 0 -3.968023 -1.154470 1.540557 3 8 0 -4.267075 0.656347 -0.295420 4 8 0 -4.112635 -1.823971 -0.878202 5 6 0 -1.890056 -0.600080 -0.112414 6 1 0 -1.351496 -1.524439 0.043888 7 6 0 -1.241780 0.490670 -0.484831 8 1 0 -1.807220 1.393309 -0.641982 9 6 0 0.247488 0.633591 -0.734808 10 1 0 0.583238 0.000338 -1.541027 11 8 0 0.515032 1.993964 -1.089670 12 6 0 1.155728 2.682460 -0.042683 13 1 0 2.203076 2.813759 -0.304477 14 6 0 0.508121 4.048871 0.132586 15 6 0 1.116076 0.387626 0.507433 16 1 0 0.719705 -0.403978 1.127294 17 6 0 1.056608 1.757539 1.170077 18 1 0 0.104087 1.891481 1.676818 19 1 0 1.863230 1.900199 1.879985 20 8 0 2.462410 0.157951 0.181388 21 1 0 1.006072 4.620116 0.914833 22 1 0 -0.538746 3.938647 0.395264 23 1 0 0.566596 4.617827 -0.791215 24 15 0 3.049169 -1.332484 -0.167251 25 8 0 4.498662 -1.146800 -0.357978 26 8 0 2.164956 -2.009207 -1.124910 27 8 0 2.824943 -2.054925 1.292457 28 1 0 3.446717 -1.675505 1.898305 29 1 0 -3.777922 -1.592801 -1.734235 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5308254 0.2042659 0.1637564 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.7739660039 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 2.04D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999980 0.002770 -0.001897 -0.005403 Ang= 0.73 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.56848126 A.U. after 11 cycles NFock= 11 Conv=0.80D-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 15 -0.000730789 0.001182072 -0.000976521 2 8 -0.001011308 -0.000433657 0.000085015 3 8 -0.000160873 0.000253298 0.000602158 4 8 0.002433202 0.001332125 0.001131107 5 6 0.000716698 0.000199794 -0.001234796 6 1 0.000620559 -0.000033644 -0.000000454 7 6 -0.000621960 -0.000272303 0.000803810 8 1 -0.000623617 0.000069395 -0.000169090 9 6 0.001283612 -0.000859297 0.000929026 10 1 -0.000628538 -0.000270797 -0.000105301 11 8 -0.000057947 0.001324715 0.000276928 12 6 0.000765032 -0.001361793 0.001328185 13 1 -0.000176600 -0.000101218 -0.000439812 14 6 -0.000264931 0.000286480 -0.000014522 15 6 -0.000144383 -0.000078164 -0.001397402 16 1 -0.000321256 0.001039186 0.000871903 17 6 0.000752165 -0.000406521 -0.000105578 18 1 -0.000214268 0.000531312 0.000364662 19 1 -0.000053279 -0.000357626 -0.000227952 20 8 -0.000987600 -0.000755591 -0.000377367 21 1 -0.000110559 0.000414379 -0.000057350 22 1 0.000026165 -0.000318152 -0.000101056 23 1 0.000048079 0.000170445 -0.000110705 24 15 0.001778296 0.001233367 -0.000826957 25 8 0.000369388 -0.000313545 0.001034629 26 8 -0.001203500 -0.000004840 -0.000426929 27 8 0.000100301 -0.001421125 -0.000503911 28 1 -0.000237508 0.001366931 0.000722235 29 1 -0.001344581 -0.002415224 -0.001073955 ------------------------------------------------------------------- Cartesian Forces: Max 0.002433202 RMS 0.000808343 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.002046419 RMS 0.000490927 Search for a local minimum. Step number 7 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 6 7 DE= -9.72D-04 DEPred=-7.19D-04 R= 1.35D+00 TightC=F SS= 1.41D+00 RLast= 3.10D-01 DXNew= 2.4000D+00 9.3147D-01 Trust test= 1.35D+00 RLast= 3.10D-01 DXMaxT set to 1.43D+00 ITU= 1 1 1 1 0 1 0 Eigenvalues --- 0.00231 0.00383 0.00776 0.01560 0.01967 Eigenvalues --- 0.02393 0.02683 0.03073 0.03151 0.03528 Eigenvalues --- 0.03689 0.04112 0.04391 0.04415 0.04956 Eigenvalues --- 0.05204 0.05260 0.05463 0.05554 0.05569 Eigenvalues --- 0.05819 0.06471 0.06504 0.07609 0.07923 Eigenvalues --- 0.08101 0.08270 0.11786 0.13572 0.14820 Eigenvalues --- 0.15361 0.15618 0.15800 0.15978 0.15999 Eigenvalues --- 0.16001 0.16003 0.16022 0.16089 0.16471 Eigenvalues --- 0.17337 0.18235 0.18737 0.20012 0.20650 Eigenvalues --- 0.20897 0.21610 0.22376 0.23823 0.23954 Eigenvalues --- 0.25074 0.26100 0.28047 0.28567 0.29130 Eigenvalues --- 0.29556 0.31651 0.33477 0.33509 0.33555 Eigenvalues --- 0.33645 0.33857 0.34158 0.34503 0.34644 Eigenvalues --- 0.36169 0.37360 0.39169 0.43367 0.45797 Eigenvalues --- 0.46572 0.48075 0.54077 0.54799 0.59257 Eigenvalues --- 0.61600 0.63754 0.67111 0.72185 0.99152 Eigenvalues --- 1.01306 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 7 6 RFO step: Lambda=-1.18469355D-03. DidBck=F Rises=F RFO-DIIS coefs: 2.24136 -1.24136 Iteration 1 RMS(Cart)= 0.08364940 RMS(Int)= 0.00352007 Iteration 2 RMS(Cart)= 0.00430939 RMS(Int)= 0.00017141 Iteration 3 RMS(Cart)= 0.00001026 RMS(Int)= 0.00017131 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00017131 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79357 -0.00078 -0.00234 -0.00153 -0.00386 2.78970 R2 2.80248 -0.00013 0.00478 -0.00476 0.00002 2.80250 R3 3.13654 -0.00149 0.00269 -0.00158 0.00112 3.13766 R4 3.45685 0.00051 0.01793 0.00096 0.01889 3.47574 R5 1.79102 0.00015 -0.00290 0.00285 -0.00004 1.79098 R6 2.04310 0.00004 -0.00203 0.00062 -0.00141 2.04170 R7 2.49894 0.00107 -0.00027 0.00164 0.00137 2.50031 R8 2.03457 0.00003 -0.00128 0.00098 -0.00030 2.03428 R9 2.86643 0.00103 -0.00850 0.00556 -0.00294 2.86350 R10 2.03857 0.00019 0.00150 -0.00009 0.00140 2.03997 R11 2.70444 -0.00037 0.00548 -0.00440 0.00113 2.70557 R12 2.90189 0.00024 0.00129 -0.00386 -0.00243 2.89946 R13 2.65955 0.00027 -0.00612 0.00258 -0.00365 2.65590 R14 2.05513 -0.00048 0.00134 -0.00071 0.00063 2.05576 R15 2.87660 -0.00055 0.00728 -0.00546 0.00182 2.87843 R16 2.88831 0.00046 0.00293 0.00217 0.00497 2.89328 R17 2.05814 -0.00021 -0.00126 0.00029 -0.00097 2.05717 R18 2.05023 0.00017 -0.00089 0.00108 0.00019 2.05042 R19 2.05324 -0.00019 -0.00006 -0.00067 -0.00073 2.05251 R20 2.04228 -0.00015 -0.00096 0.00023 -0.00073 2.04155 R21 2.87791 0.00081 0.00541 -0.00170 0.00373 2.88164 R22 2.65348 -0.00030 -0.00114 -0.00175 -0.00289 2.65059 R23 2.05453 -0.00056 -0.00372 0.00045 -0.00328 2.05125 R24 2.04838 -0.00019 0.00138 -0.00169 -0.00031 2.04807 R25 3.09779 0.00061 0.00193 -0.00077 0.00116 3.09895 R26 2.78495 0.00097 -0.00071 0.00113 0.00041 2.78536 R27 2.77532 0.00126 -0.00063 0.00021 -0.00042 2.77491 R28 3.10683 -0.00026 0.00408 0.00056 0.00465 3.11148 R29 1.79037 -0.00010 -0.00335 0.00208 -0.00127 1.78910 A1 2.13770 0.00021 0.00245 0.00414 0.00657 2.14426 A2 1.85571 -0.00031 -0.00036 -0.00006 -0.00043 1.85528 A3 1.91518 0.00007 0.00168 -0.00111 0.00055 1.91573 A4 1.89351 -0.00090 -0.00543 -0.00421 -0.00963 1.88387 A5 1.89273 -0.00018 0.00538 -0.00779 -0.00242 1.89031 A6 1.72339 0.00135 -0.00595 0.01089 0.00494 1.72833 A7 1.89123 -0.00012 -0.01059 0.00176 -0.00883 1.88241 A8 2.04514 -0.00006 0.00873 -0.00438 0.00433 2.04947 A9 2.14151 0.00054 -0.01203 0.00452 -0.00752 2.13399 A10 2.09639 -0.00048 0.00318 -0.00006 0.00310 2.09949 A11 2.06595 -0.00039 -0.00343 -0.00082 -0.00425 2.06170 A12 2.22113 0.00000 0.00286 0.00167 0.00452 2.22565 A13 1.99609 0.00038 0.00058 -0.00088 -0.00030 1.99578 A14 1.95350 -0.00043 0.00249 -0.00145 0.00093 1.95443 A15 1.89017 0.00024 -0.00751 0.01058 0.00317 1.89334 A16 1.98989 0.00028 0.00428 0.00449 0.00886 1.99876 A17 1.89072 -0.00014 -0.00297 -0.00736 -0.01022 1.88051 A18 1.91188 0.00008 0.00216 -0.00331 -0.00113 1.91075 A19 1.82048 -0.00002 0.00086 -0.00346 -0.00297 1.81751 A20 1.94514 0.00047 0.00188 0.00167 0.00236 1.94750 A21 1.89484 0.00004 -0.00533 0.00561 0.00040 1.89524 A22 1.90828 0.00020 0.00231 -0.00269 -0.00009 1.90819 A23 1.83871 -0.00032 0.01499 -0.00738 0.00696 1.84567 A24 1.90610 -0.00001 -0.00443 0.00265 -0.00194 1.90416 A25 1.90342 -0.00002 -0.00593 0.00546 -0.00044 1.90298 A26 2.00893 0.00010 -0.00126 -0.00340 -0.00443 2.00450 A27 1.93799 -0.00060 0.00183 -0.00442 -0.00259 1.93540 A28 1.92537 0.00053 -0.00481 0.00623 0.00142 1.92679 A29 1.92757 -0.00009 0.00183 -0.00255 -0.00073 1.92684 A30 1.89711 0.00001 0.00077 -0.00047 0.00030 1.89741 A31 1.88747 0.00028 0.00049 0.00101 0.00150 1.88897 A32 1.88702 -0.00012 -0.00006 0.00024 0.00018 1.88720 A33 1.95396 0.00024 -0.00516 0.00469 -0.00034 1.95362 A34 1.75770 -0.00015 0.01124 -0.00720 0.00370 1.76141 A35 1.96134 -0.00037 -0.01144 -0.00176 -0.01318 1.94816 A36 1.97686 0.00042 -0.00528 0.00775 0.00262 1.97948 A37 1.94446 -0.00032 0.00788 -0.00357 0.00417 1.94863 A38 1.86044 0.00021 0.00277 -0.00011 0.00277 1.86320 A39 1.76865 0.00003 0.00730 -0.00046 0.00572 1.77437 A40 1.93060 0.00030 0.01433 -0.00102 0.01324 1.94384 A41 1.97334 -0.00024 -0.01461 0.00328 -0.01113 1.96221 A42 1.92606 -0.00037 0.01732 -0.01132 0.00594 1.93200 A43 1.95443 0.00031 -0.02598 0.01106 -0.01470 1.93973 A44 1.90762 -0.00003 0.00311 -0.00182 0.00138 1.90900 A45 2.14277 0.00025 -0.01300 -0.00422 -0.01723 2.12555 A46 1.83902 -0.00033 0.00440 -0.00398 0.00040 1.83942 A47 1.91997 -0.00095 0.00219 -0.01281 -0.01064 1.90934 A48 1.73339 0.00114 -0.00329 0.00874 0.00546 1.73885 A49 2.17223 0.00020 0.00615 -0.00056 0.00556 2.17779 A50 1.88012 0.00014 -0.01148 0.00795 -0.00353 1.87659 A51 1.86958 0.00005 -0.00024 0.00322 0.00299 1.87257 A52 1.87788 -0.00010 -0.00288 -0.00385 -0.00673 1.87114 D1 -2.93051 -0.00205 -0.09018 -0.04685 -0.13702 -3.06753 D2 1.02318 -0.00144 -0.08912 -0.04905 -0.13817 0.88501 D3 -0.94714 -0.00154 -0.09077 -0.04386 -0.13464 -1.08177 D4 0.92868 -0.00033 -0.02821 -0.00388 -0.03210 0.89658 D5 -2.19421 -0.00044 -0.01870 -0.00888 -0.02759 -2.22180 D6 -2.97840 -0.00014 -0.01885 -0.00592 -0.02476 -3.00316 D7 0.18190 -0.00025 -0.00935 -0.01093 -0.02025 0.16164 D8 -1.00747 -0.00061 -0.02568 -0.00829 -0.03399 -1.04146 D9 2.15283 -0.00071 -0.01618 -0.01330 -0.02948 2.12335 D10 -0.02968 0.00005 -0.00180 0.00022 -0.00157 -0.03125 D11 3.11882 0.00016 -0.00332 0.00636 0.00304 3.12186 D12 3.13115 -0.00006 0.00795 -0.00489 0.00306 3.13421 D13 -0.00354 0.00004 0.00643 0.00125 0.00767 0.00413 D14 1.08115 0.00031 0.03102 0.01249 0.04351 1.12466 D15 -3.11891 0.00003 0.02398 0.00936 0.03349 -3.08543 D16 -1.10114 0.00032 0.02264 0.01458 0.03708 -1.06406 D17 -2.05377 0.00041 0.02957 0.01842 0.04798 -2.00579 D18 0.02935 0.00013 0.02253 0.01529 0.03796 0.06731 D19 2.04712 0.00042 0.02119 0.02051 0.04156 2.08868 D20 1.86429 0.00013 -0.02092 -0.01498 -0.03591 1.82838 D21 -2.29666 -0.00033 -0.02417 -0.01483 -0.03896 -2.33562 D22 -0.26117 -0.00031 -0.02261 -0.02367 -0.04625 -0.30742 D23 0.64744 0.00019 -0.00854 0.01880 0.01023 0.65768 D24 -1.45813 -0.00033 -0.00654 0.01176 0.00516 -1.45297 D25 2.85124 -0.00035 -0.01136 0.01636 0.00508 2.85632 D26 -1.55680 0.00048 -0.01685 0.01999 0.00305 -1.55375 D27 2.62080 -0.00004 -0.01485 0.01295 -0.00202 2.61878 D28 0.64699 -0.00006 -0.01968 0.01755 -0.00210 0.64489 D29 2.70564 0.00061 -0.01485 0.03179 0.01685 2.72249 D30 0.60006 0.00009 -0.01285 0.02474 0.01178 0.61184 D31 -1.37376 0.00007 -0.01767 0.02935 0.01170 -1.36206 D32 1.84400 0.00011 0.04658 0.01756 0.06407 1.90807 D33 -2.36118 0.00024 0.03942 0.02250 0.06190 -2.29927 D34 -0.19288 0.00028 0.04824 0.01236 0.06079 -0.13210 D35 -3.10745 -0.00012 0.01633 -0.01500 0.00112 -3.10633 D36 1.07135 -0.00009 0.01736 -0.01565 0.00150 1.07285 D37 -1.01370 -0.00021 0.01934 -0.01830 0.00083 -1.01287 D38 -1.03643 0.00005 0.00861 -0.00822 0.00040 -1.03604 D39 -3.14082 0.00008 0.00963 -0.00887 0.00078 -3.14004 D40 1.05731 -0.00005 0.01162 -0.01152 0.00011 1.05743 D41 1.11088 0.00009 -0.00367 -0.00139 -0.00485 1.10602 D42 -0.99351 0.00012 -0.00264 -0.00204 -0.00447 -0.99798 D43 -3.07856 -0.00001 -0.00066 -0.00469 -0.00514 -3.08370 D44 0.56611 -0.00024 -0.05506 0.00462 -0.05056 0.51555 D45 -1.47643 0.00004 -0.08431 0.01827 -0.06617 -1.54261 D46 2.66081 0.00003 -0.08866 0.01904 -0.06977 2.59105 D47 -1.46493 -0.00012 -0.05390 -0.00065 -0.05446 -1.51939 D48 2.77571 0.00017 -0.08315 0.01300 -0.07007 2.70564 D49 0.62978 0.00016 -0.08750 0.01377 -0.07367 0.55611 D50 2.66952 -0.00017 -0.04243 -0.00598 -0.04841 2.62111 D51 0.62697 0.00012 -0.07168 0.00767 -0.06402 0.56295 D52 -1.51896 0.00011 -0.07603 0.00843 -0.06762 -1.58658 D53 -0.69711 0.00003 0.04138 -0.01886 0.02261 -0.67449 D54 1.34875 0.00024 0.06834 -0.02499 0.04341 1.39217 D55 -2.80517 0.00015 0.06688 -0.02770 0.03923 -2.76595 D56 -2.78628 -0.00035 0.04313 -0.02365 0.01955 -2.76673 D57 -0.74042 -0.00015 0.07009 -0.02978 0.04035 -0.70007 D58 1.38884 -0.00024 0.06863 -0.03249 0.03616 1.42500 D59 1.35241 -0.00037 0.03460 -0.02398 0.01065 1.36306 D60 -2.88492 -0.00016 0.06155 -0.03010 0.03145 -2.85347 D61 -0.75566 -0.00025 0.06009 -0.03282 0.02726 -0.72840 D62 -1.53217 -0.00049 -0.05930 -0.02357 -0.08303 -1.61520 D63 0.67674 -0.00072 -0.06898 -0.02154 -0.09056 0.58618 D64 2.84140 -0.00026 -0.06878 -0.01423 -0.08279 2.75860 D65 -3.07622 -0.00102 -0.03282 -0.02530 -0.05810 -3.13432 D66 0.82576 -0.00027 -0.04615 -0.01130 -0.05748 0.76828 D67 -1.13178 -0.00055 -0.04509 -0.01473 -0.05981 -1.19160 D68 -1.23029 -0.00112 -0.04402 -0.02578 -0.06981 -1.30010 D69 0.68143 -0.00098 -0.04388 -0.02435 -0.06823 0.61320 D70 3.05602 -0.00056 -0.04498 -0.01640 -0.06138 2.99464 Item Value Threshold Converged? Maximum Force 0.002046 0.000450 NO RMS Force 0.000491 0.000300 NO Maximum Displacement 0.394472 0.001800 NO RMS Displacement 0.083952 0.001200 NO Predicted change in Energy=-6.811197D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.626274 2.105196 -0.795378 2 8 0 2.450160 2.567643 -1.929688 3 8 0 1.307668 0.675656 -0.562442 4 8 0 0.193892 2.939674 -0.889082 5 6 0 2.272325 2.816128 0.773109 6 1 0 2.428638 3.884610 0.807988 7 6 0 2.566314 2.064066 1.821244 8 1 0 2.390274 1.004397 1.750906 9 6 0 3.124132 2.517544 3.155156 10 1 0 2.434332 3.156598 3.685358 11 8 0 3.358638 1.360972 3.965822 12 6 0 4.727671 1.052650 4.042990 13 1 0 5.077656 1.277482 5.048176 14 6 0 4.926536 -0.431965 3.766399 15 6 0 4.495073 3.201565 3.072675 16 1 0 4.582930 3.824802 2.194610 17 6 0 5.421398 1.990458 3.051327 18 1 0 5.461589 1.555714 2.057527 19 1 0 6.422818 2.258732 3.367230 20 8 0 4.788381 3.914321 4.244565 21 1 0 5.976356 -0.706072 3.854790 22 1 0 4.585116 -0.679421 2.766652 23 1 0 4.358834 -1.028403 4.474691 24 15 0 4.424476 5.505591 4.401675 25 8 0 4.891924 5.882738 5.747701 26 8 0 3.071427 5.749662 3.885987 27 8 0 5.484801 6.139375 3.313067 28 1 0 6.345685 6.100118 3.705082 29 1 0 -0.327317 2.708168 -0.132137 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.476247 0.000000 3 O 1.483021 2.598897 0.000000 4 O 1.660377 2.512372 2.544202 0.000000 5 C 1.839282 2.720015 2.701088 2.664212 0.000000 6 H 2.526041 3.038048 3.664974 2.960919 1.080419 7 C 2.780661 3.786367 3.032133 3.706878 1.323107 8 H 2.877328 3.999262 2.575206 3.941945 2.062127 9 C 4.245035 5.129560 4.529087 5.012022 2.547327 10 H 4.672837 5.645872 5.046608 5.098248 2.936556 11 O 5.120936 6.085921 5.018099 6.006498 3.673006 12 C 5.842629 6.569258 5.748787 6.959982 4.453167 13 H 6.836978 7.566957 6.786312 7.865434 5.339804 14 C 6.175655 6.897499 5.749947 7.445761 5.153127 15 C 4.939014 5.441246 5.454708 5.853568 3.221361 16 H 4.543005 4.810301 5.314678 5.436568 2.894302 17 C 5.404930 5.828543 5.631235 6.614730 3.973496 18 H 4.811510 5.098096 4.989368 6.192453 3.661935 19 H 6.352772 6.628332 6.641778 7.574918 4.926128 20 O 6.218752 6.738117 6.761037 6.957987 4.425784 21 H 6.960639 7.524059 6.574022 8.320617 5.968458 22 H 5.403415 6.095661 4.864234 6.763512 4.641344 23 H 6.712671 7.588851 6.130754 7.865268 5.730239 24 P 6.811900 7.253663 7.595079 7.243886 5.003145 25 O 8.230806 8.711737 8.931881 8.647544 6.404136 26 O 6.106209 6.658326 6.974590 6.243199 4.351345 27 O 6.931244 7.032268 7.894316 7.475952 5.274027 28 H 7.647639 7.707407 8.545067 8.302970 5.997776 29 H 2.149415 3.311393 2.643755 0.947745 2.754862 6 7 8 9 10 6 H 0.000000 7 C 2.088066 0.000000 8 H 3.030874 1.076493 0.000000 9 C 2.803886 1.515297 2.190909 0.000000 10 H 2.968046 2.164710 2.894135 1.079504 0.000000 11 O 4.147960 2.391932 2.443508 1.431724 2.038940 12 C 4.875530 3.260457 3.274050 2.346380 3.132715 13 H 5.638582 4.163969 4.262462 2.989571 3.517884 14 C 5.798664 3.947714 3.543722 3.510254 4.369832 15 C 3.140941 2.565169 3.317348 1.534329 2.150362 16 H 2.562669 2.703023 3.599903 2.181665 2.699130 17 C 4.192493 3.109667 3.442546 2.359244 3.268706 18 H 4.022921 2.949045 3.135433 2.755650 3.791695 19 H 5.014646 4.159398 4.521865 3.315612 4.100657 20 O 4.168852 3.772732 4.520720 2.430539 2.535429 21 H 6.553142 4.841215 4.495777 4.360777 5.243554 22 H 5.414531 3.534980 2.946916 3.536383 4.492765 23 H 6.427135 4.451660 3.927659 3.979875 4.673434 24 P 4.418772 4.685668 5.605828 3.489001 3.160942 25 O 5.870354 5.950444 6.784603 4.601185 4.210089 26 O 3.655911 4.254635 5.247865 3.314133 2.677709 27 O 4.549672 5.229841 6.195518 4.326124 4.282630 28 H 5.352092 5.841422 6.740212 4.849295 4.895241 29 H 3.140564 3.550164 3.719407 4.770234 4.732976 11 12 13 14 15 11 O 0.000000 12 C 1.405442 0.000000 13 H 2.033096 1.087859 0.000000 14 C 2.390124 1.523197 2.141961 0.000000 15 C 2.340295 2.369272 2.818529 3.724239 0.000000 16 H 3.272086 3.335009 3.856998 4.550676 1.080343 17 C 2.342548 1.531057 2.147998 2.573780 1.524899 18 H 2.846387 2.175724 3.028003 2.675331 2.161829 19 H 3.248612 2.187420 2.365986 3.104519 2.166079 20 O 2.939635 2.869404 2.771713 4.374692 1.402632 21 H 3.337281 2.165118 2.483208 1.088609 4.251533 22 H 2.665608 2.156254 3.045886 1.085033 3.894074 23 H 2.639782 2.157125 2.482478 1.086141 4.458345 24 P 4.301610 4.477641 4.326836 5.992513 2.660782 25 O 5.096315 5.124721 4.661782 6.618325 3.808142 26 O 4.398803 4.982943 5.037463 6.455094 3.030024 27 O 5.270654 5.194305 5.178259 6.610573 3.109353 28 H 5.608025 5.311223 5.164263 6.684748 3.496615 29 H 5.674017 6.762050 7.622088 7.256858 5.811170 16 17 18 19 20 16 H 0.000000 17 C 2.191304 0.000000 18 H 2.437128 1.085476 0.000000 19 H 2.685666 1.083793 1.770175 0.000000 20 O 2.062168 2.350697 3.286240 2.486378 0.000000 21 H 5.022615 2.867892 2.934420 3.037615 4.786569 22 H 4.540404 2.812234 2.503376 3.517184 4.829908 23 H 5.366804 3.502645 3.706267 4.036304 4.966688 24 P 2.778722 3.895312 4.708733 3.950385 1.639893 25 O 4.117649 4.764517 5.715334 4.598228 2.478872 26 O 2.974977 4.511168 5.161913 4.866983 2.538697 27 O 2.724254 4.157649 4.752564 3.992769 2.510688 28 H 3.250522 4.262747 4.914028 3.856987 2.737507 29 H 5.547176 6.610392 6.295570 7.616553 6.839641 21 22 23 24 25 21 H 0.000000 22 H 1.766438 0.000000 23 H 1.761974 1.757950 0.000000 24 P 6.425899 6.399491 6.534732 0.000000 25 O 6.940571 7.214064 7.047596 1.473951 0.000000 26 O 7.079272 6.699051 6.924316 1.468417 2.607277 27 O 6.884420 6.899564 7.348075 1.646523 2.518890 28 H 6.817848 7.066995 7.440140 2.128320 2.516539 29 H 8.202982 6.634059 7.559420 7.138667 8.478848 26 27 28 29 26 O 0.000000 27 O 2.510874 0.000000 28 H 3.297925 0.946752 0.000000 29 H 6.078443 7.577818 8.411809 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.692365 -0.651849 0.195861 2 8 0 -3.970121 -1.181386 1.545583 3 8 0 -4.265945 0.621704 -0.302557 4 8 0 -4.110489 -1.853256 -0.871213 5 6 0 -1.877164 -0.622605 -0.099342 6 1 0 -1.327695 -1.533712 0.088468 7 6 0 -1.244181 0.467879 -0.500328 8 1 0 -1.826766 1.354304 -0.683858 9 6 0 0.240418 0.632022 -0.755570 10 1 0 0.580017 0.016557 -1.574841 11 8 0 0.493030 1.998022 -1.102074 12 6 0 1.087745 2.699504 -0.039293 13 1 0 2.123451 2.908547 -0.298238 14 6 0 0.351024 4.016030 0.170785 15 6 0 1.128459 0.386257 0.471274 16 1 0 0.757504 -0.423876 1.082191 17 6 0 1.055145 1.745796 1.158001 18 1 0 0.129753 1.843890 1.716825 19 1 0 1.895895 1.892039 1.826102 20 8 0 2.468708 0.188577 0.107911 21 1 0 0.813749 4.597093 0.966600 22 1 0 -0.685811 3.831646 0.432078 23 1 0 0.369955 4.609751 -0.738521 24 15 0 3.078193 -1.309485 -0.163360 25 8 0 4.496315 -1.098792 -0.505516 26 8 0 2.127648 -2.083703 -0.971627 27 8 0 3.021926 -1.911199 1.368244 28 1 0 3.724310 -1.503900 1.855175 29 1 0 -3.879025 -1.561365 -1.742675 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5353701 0.2026869 0.1631827 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1599.7858062420 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 2.05D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999966 0.003504 -0.002564 -0.007045 Ang= 0.95 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.56939908 A.U. after 12 cycles NFock= 12 Conv=0.51D-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 15 -0.001963350 0.003621325 0.003785525 2 8 0.000602302 -0.000090163 -0.000969295 3 8 0.000120961 -0.000137687 0.000393432 4 8 0.002902760 0.000335351 0.001387626 5 6 0.000216416 -0.002556750 -0.004341491 6 1 0.000137462 0.000259398 -0.000003492 7 6 -0.001101424 -0.000102482 -0.000626596 8 1 -0.000500962 -0.000111758 0.000070975 9 6 0.001302478 -0.001061148 0.002757538 10 1 -0.000498454 -0.000024019 -0.000985494 11 8 -0.001235341 0.001851701 -0.000398343 12 6 0.001552859 -0.001895025 -0.000190544 13 1 -0.000737573 0.000126950 -0.000415798 14 6 0.000015684 0.000767954 0.000097418 15 6 -0.001061328 -0.001605920 -0.001603505 16 1 0.000268754 0.000770297 0.000715777 17 6 0.000889432 0.001938219 0.001957648 18 1 -0.000899888 -0.000412813 -0.000247941 19 1 0.000526717 -0.000812035 -0.001205802 20 8 0.000058737 0.001158455 -0.000067479 21 1 0.000287047 -0.000059787 -0.000033087 22 1 0.000083496 -0.000108164 0.000039222 23 1 -0.000019622 -0.000076687 0.000091521 24 15 0.001826155 -0.000840885 -0.000505980 25 8 0.000400206 0.000589116 0.000589069 26 8 -0.000981528 0.000953487 -0.000463629 27 8 -0.001489197 -0.001759622 0.000532434 28 1 0.000481519 0.001063654 0.000693437 29 1 -0.001184317 -0.001780964 -0.001053147 ------------------------------------------------------------------- Cartesian Forces: Max 0.004341491 RMS 0.001249830 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.003943266 RMS 0.000626080 Search for a local minimum. Step number 8 out of a maximum of 161 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 7 8 DE= -9.18D-04 DEPred=-6.81D-04 R= 1.35D+00 TightC=F SS= 1.41D+00 RLast= 4.26D-01 DXNew= 2.4000D+00 1.2777D+00 Trust test= 1.35D+00 RLast= 4.26D-01 DXMaxT set to 1.43D+00 ITU= 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00231 0.00293 0.00668 0.01291 0.01981 Eigenvalues --- 0.02391 0.02581 0.03073 0.03177 0.03578 Eigenvalues --- 0.03706 0.04142 0.04401 0.04406 0.04911 Eigenvalues --- 0.05188 0.05246 0.05477 0.05521 0.05552 Eigenvalues --- 0.05845 0.06517 0.06611 0.07588 0.07865 Eigenvalues --- 0.08079 0.08309 0.11782 0.13826 0.14774 Eigenvalues --- 0.15402 0.15613 0.15867 0.15992 0.15999 Eigenvalues --- 0.16001 0.16016 0.16046 0.16107 0.16521 Eigenvalues --- 0.17433 0.18372 0.18777 0.20111 0.20758 Eigenvalues --- 0.21101 0.21730 0.22418 0.23904 0.24334 Eigenvalues --- 0.25191 0.26142 0.28063 0.28516 0.29132 Eigenvalues --- 0.29467 0.31628 0.33485 0.33541 0.33608 Eigenvalues --- 0.33666 0.33890 0.34171 0.34599 0.34638 Eigenvalues --- 0.36186 0.37358 0.39195 0.43546 0.45803 Eigenvalues --- 0.48030 0.48689 0.54133 0.54958 0.59320 Eigenvalues --- 0.61687 0.63756 0.67388 0.72224 0.99015 Eigenvalues --- 1.01273 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 8 7 6 RFO step: Lambda=-9.53251888D-04. DidBck=F Rises=F RFO-DIIS coefs: 2.42294 -2.00000 0.57706 Iteration 1 RMS(Cart)= 0.09449176 RMS(Int)= 0.00430915 Iteration 2 RMS(Cart)= 0.00513571 RMS(Int)= 0.00018103 Iteration 3 RMS(Cart)= 0.00001232 RMS(Int)= 0.00018074 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00018074 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.78970 0.00105 -0.00441 0.00576 0.00134 2.79105 R2 2.80250 0.00017 -0.00219 0.00539 0.00320 2.80571 R3 3.13766 -0.00223 0.00034 -0.00697 -0.00664 3.13102 R4 3.47574 -0.00394 0.01854 -0.01394 0.00461 3.48035 R5 1.79098 0.00025 0.00128 -0.00085 0.00044 1.79142 R6 2.04170 0.00028 -0.00106 0.00073 -0.00033 2.04136 R7 2.50031 0.00025 0.00208 -0.00051 0.00156 2.50187 R8 2.03428 0.00019 0.00017 -0.00005 0.00012 2.03440 R9 2.86350 0.00165 -0.00023 0.00150 0.00127 2.86476 R10 2.03997 -0.00018 0.00130 -0.00081 0.00049 2.04046 R11 2.70557 -0.00112 -0.00094 -0.00278 -0.00376 2.70181 R12 2.89946 0.00023 -0.00405 0.00332 -0.00061 2.89885 R13 2.65590 0.00135 -0.00235 0.00702 0.00451 2.66041 R14 2.05576 -0.00060 0.00027 -0.00275 -0.00248 2.05327 R15 2.87843 -0.00050 -0.00079 0.00129 0.00050 2.87893 R16 2.89328 0.00006 0.00571 -0.00023 0.00541 2.89869 R17 2.05717 0.00029 -0.00079 0.00149 0.00070 2.05787 R18 2.05042 -0.00004 0.00068 -0.00105 -0.00037 2.05005 R19 2.05251 0.00011 -0.00101 0.00127 0.00026 2.05276 R20 2.04155 -0.00012 -0.00059 -0.00082 -0.00141 2.04015 R21 2.88164 0.00011 0.00280 0.00101 0.00396 2.88560 R22 2.65059 0.00130 -0.00358 0.00561 0.00203 2.65262 R23 2.05125 0.00036 -0.00293 0.00152 -0.00141 2.04984 R24 2.04807 -0.00007 -0.00108 0.00112 0.00005 2.04812 R25 3.09895 0.00003 0.00076 -0.00008 0.00067 3.09962 R26 2.78536 0.00082 0.00092 0.00025 0.00117 2.78654 R27 2.77491 0.00123 -0.00030 0.00198 0.00168 2.77658 R28 3.11148 -0.00173 0.00471 -0.00652 -0.00181 3.10967 R29 1.78910 0.00068 -0.00025 0.00141 0.00116 1.79026 A1 2.14426 -0.00003 0.00821 -0.00465 0.00356 2.14783 A2 1.85528 0.00023 -0.00045 0.00540 0.00495 1.86023 A3 1.91573 -0.00050 0.00000 -0.00408 -0.00410 1.91163 A4 1.88387 -0.00050 -0.01118 0.00024 -0.01093 1.87295 A5 1.89031 -0.00008 -0.00595 0.00325 -0.00266 1.88766 A6 1.72833 0.00118 0.00980 0.00121 0.01101 1.73935 A7 1.88241 0.00021 -0.00764 0.00094 -0.00670 1.87570 A8 2.04947 -0.00059 0.00211 -0.00044 0.00167 2.05115 A9 2.13399 0.00123 -0.00511 0.00534 0.00023 2.13422 A10 2.09949 -0.00063 0.00294 -0.00476 -0.00182 2.09767 A11 2.06170 0.00018 -0.00445 0.00181 -0.00265 2.05905 A12 2.22565 -0.00054 0.00511 -0.00654 -0.00144 2.22421 A13 1.99578 0.00036 -0.00070 0.00474 0.00403 1.99981 A14 1.95443 -0.00041 0.00017 -0.00950 -0.00941 1.94502 A15 1.89334 0.00005 0.00800 -0.00473 0.00345 1.89679 A16 1.99876 -0.00007 0.01062 -0.00407 0.00677 2.00553 A17 1.88051 0.00021 -0.01316 0.01280 -0.00023 1.88028 A18 1.91075 0.00011 -0.00262 0.00576 0.00317 1.91392 A19 1.81751 0.00017 -0.00463 0.00161 -0.00361 1.81391 A20 1.94750 0.00012 0.00248 -0.00316 -0.00219 1.94531 A21 1.89524 -0.00013 0.00304 -0.01328 -0.01009 1.88514 A22 1.90819 0.00043 -0.00120 0.00995 0.00906 1.91725 A23 1.84567 -0.00034 0.00294 0.00349 0.00573 1.85140 A24 1.90416 -0.00007 -0.00071 -0.00169 -0.00254 1.90162 A25 1.90298 0.00012 0.00214 -0.00214 0.00010 1.90309 A26 2.00450 -0.00002 -0.00571 0.00275 -0.00270 2.00181 A27 1.93540 -0.00005 -0.00454 0.00249 -0.00205 1.93335 A28 1.92679 0.00019 0.00426 -0.00260 0.00166 1.92844 A29 1.92684 0.00001 -0.00189 0.00233 0.00044 1.92728 A30 1.89741 -0.00010 0.00007 -0.00105 -0.00097 1.89644 A31 1.88897 -0.00000 0.00190 -0.00125 0.00065 1.88962 A32 1.88720 -0.00005 0.00029 0.00000 0.00029 1.88749 A33 1.95362 0.00009 0.00192 0.00223 0.00430 1.95792 A34 1.76141 0.00004 0.00005 0.00092 0.00074 1.76215 A35 1.94816 0.00018 -0.01344 0.00435 -0.00914 1.93902 A36 1.97948 0.00005 0.00617 -0.00426 0.00198 1.98146 A37 1.94863 -0.00030 0.00227 -0.00466 -0.00246 1.94617 A38 1.86320 -0.00002 0.00265 0.00206 0.00471 1.86791 A39 1.77437 0.00006 0.00474 0.00028 0.00452 1.77889 A40 1.94384 -0.00039 0.01217 -0.01614 -0.00381 1.94003 A41 1.96221 0.00020 -0.00905 0.01081 0.00209 1.96430 A42 1.93200 -0.00015 0.00041 -0.00349 -0.00284 1.92916 A43 1.93973 0.00043 -0.00885 0.01345 0.00476 1.94449 A44 1.90900 -0.00014 0.00051 -0.00450 -0.00418 1.90482 A45 2.12555 0.00151 -0.01847 0.01195 -0.00652 2.11903 A46 1.83942 0.00079 -0.00148 0.01182 0.01032 1.84974 A47 1.90934 0.00063 -0.01615 0.01620 0.00001 1.90935 A48 1.73885 -0.00020 0.00930 -0.00946 -0.00015 1.73870 A49 2.17779 -0.00016 0.00505 -0.00009 0.00486 2.18265 A50 1.87659 -0.00062 0.00032 -0.01335 -0.01305 1.86354 A51 1.87257 -0.00045 0.00436 -0.00762 -0.00326 1.86931 A52 1.87114 0.00011 -0.00824 0.00452 -0.00372 1.86742 D1 -3.06753 -0.00142 -0.15305 -0.03565 -0.18873 3.02692 D2 0.88501 -0.00119 -0.15518 -0.03384 -0.18905 0.69596 D3 -1.08177 -0.00143 -0.14938 -0.03797 -0.18730 -1.26907 D4 0.89658 0.00025 -0.03256 0.00240 -0.03015 0.86643 D5 -2.22180 -0.00002 -0.03056 -0.00448 -0.03505 -2.25685 D6 -3.00316 -0.00030 -0.02647 -0.00463 -0.03110 -3.03426 D7 0.16164 -0.00057 -0.02448 -0.01152 -0.03600 0.12564 D8 -1.04146 -0.00038 -0.03642 -0.00286 -0.03927 -1.08073 D9 2.12335 -0.00065 -0.03442 -0.00974 -0.04417 2.07918 D10 -0.03125 0.00013 -0.00140 0.00389 0.00250 -0.02875 D11 3.12186 0.00017 0.00587 0.00205 0.00790 3.12976 D12 3.13421 -0.00015 0.00066 -0.00325 -0.00258 3.13163 D13 0.00413 -0.00011 0.00792 -0.00509 0.00283 0.00696 D14 1.12466 0.00015 0.04749 0.01369 0.06113 1.18579 D15 -3.08543 0.00020 0.03650 0.02072 0.05740 -3.02803 D16 -1.06406 0.00041 0.04224 0.01716 0.05924 -1.00481 D17 -2.00579 0.00019 0.05453 0.01191 0.06642 -1.93937 D18 0.06731 0.00023 0.04355 0.01895 0.06268 0.13000 D19 2.08868 0.00045 0.04928 0.01539 0.06453 2.15321 D20 1.82838 -0.00010 -0.04138 -0.01476 -0.05619 1.77219 D21 -2.33562 -0.00044 -0.04421 -0.02141 -0.06565 -2.40127 D22 -0.30742 -0.00015 -0.05531 -0.00848 -0.06387 -0.37129 D23 0.65768 0.00006 0.01853 0.00587 0.02443 0.68211 D24 -1.45297 -0.00006 0.01038 0.00930 0.01964 -1.43333 D25 2.85632 -0.00013 0.01251 0.00483 0.01736 2.87368 D26 -1.55375 0.00058 0.01218 0.01706 0.02919 -1.52456 D27 2.61878 0.00046 0.00403 0.02049 0.02440 2.64319 D28 0.64489 0.00039 0.00616 0.01602 0.02212 0.66701 D29 2.72249 0.00020 0.03088 -0.00101 0.02989 2.75237 D30 0.61184 0.00008 0.02274 0.00241 0.02510 0.63694 D31 -1.36206 0.00001 0.02486 -0.00206 0.02281 -1.33924 D32 1.90807 0.00012 0.06952 0.00443 0.07385 1.98192 D33 -2.29927 0.00021 0.06976 0.00035 0.07004 -2.22923 D34 -0.13210 0.00022 0.06407 0.01158 0.07569 -0.05641 D35 -3.10633 -0.00008 -0.00600 0.01329 0.00705 -3.09928 D36 1.07285 -0.00005 -0.00594 0.01470 0.00852 1.08137 D37 -1.01287 -0.00010 -0.00781 0.01486 0.00682 -1.00605 D38 -1.03604 -0.00002 -0.00344 0.00204 -0.00139 -1.03742 D39 -3.14004 0.00000 -0.00337 0.00344 0.00008 -3.13996 D40 1.05743 -0.00005 -0.00524 0.00361 -0.00162 1.05581 D41 1.10602 0.00006 -0.00520 -0.00013 -0.00510 1.10092 D42 -0.99798 0.00009 -0.00514 0.00128 -0.00363 -1.00162 D43 -3.08370 0.00003 -0.00701 0.00144 -0.00533 -3.08903 D44 0.51555 -0.00023 -0.04635 -0.00984 -0.05624 0.45931 D45 -1.54261 0.00009 -0.05497 0.00117 -0.05375 -1.59636 D46 2.59105 0.00041 -0.05806 0.01117 -0.04698 2.54407 D47 -1.51939 0.00004 -0.05243 0.00484 -0.04755 -1.56693 D48 2.70564 0.00036 -0.06106 0.01585 -0.04505 2.66059 D49 0.55611 0.00068 -0.06415 0.02585 -0.03828 0.51783 D50 2.62111 0.00006 -0.04916 0.00677 -0.04241 2.57870 D51 0.56295 0.00038 -0.05778 0.01778 -0.03991 0.52304 D52 -1.58658 0.00070 -0.06087 0.02778 -0.03314 -1.61972 D53 -0.67449 0.00008 0.01294 0.00543 0.01867 -0.65582 D54 1.39217 -0.00040 0.03001 -0.01460 0.01546 1.40762 D55 -2.76595 -0.00039 0.02473 -0.01352 0.01143 -2.75452 D56 -2.76673 -0.00007 0.00776 0.00423 0.01216 -2.75457 D57 -0.70007 -0.00056 0.02483 -0.01580 0.00895 -0.69112 D58 1.42500 -0.00054 0.01955 -0.01473 0.00492 1.42992 D59 1.36306 0.00029 -0.00093 0.01141 0.01060 1.37365 D60 -2.85347 -0.00019 0.01614 -0.00862 0.00738 -2.84609 D61 -0.72840 -0.00018 0.01085 -0.00755 0.00335 -0.72505 D62 -1.61520 -0.00016 -0.09059 -0.00591 -0.09666 -1.71187 D63 0.58618 -0.00014 -0.09680 -0.00318 -0.09994 0.48624 D64 2.75860 -0.00028 -0.08584 -0.01007 -0.09578 2.66282 D65 -3.13432 0.00026 -0.06741 0.01093 -0.05644 3.09243 D66 0.76828 -0.00063 -0.06034 -0.01086 -0.07126 0.69702 D67 -1.19160 -0.00025 -0.06415 -0.00345 -0.06758 -1.25918 D68 -1.30010 -0.00071 -0.07887 -0.01336 -0.09222 -1.39232 D69 0.61320 -0.00012 -0.07669 -0.00814 -0.08487 0.52833 D70 2.99464 -0.00117 -0.06643 -0.02471 -0.09112 2.90352 Item Value Threshold Converged? Maximum Force 0.003943 0.000450 NO RMS Force 0.000626 0.000300 NO Maximum Displacement 0.467710 0.001800 NO RMS Displacement 0.094361 0.001200 NO Predicted change in Energy=-5.366581D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.619741 2.044274 -0.771439 2 8 0 2.446537 2.474725 -1.917094 3 8 0 1.284876 0.622954 -0.502932 4 8 0 0.190560 2.875329 -0.880966 5 6 0 2.286643 2.779649 0.779817 6 1 0 2.485497 3.841425 0.783626 7 6 0 2.540645 2.050920 1.855568 8 1 0 2.320182 0.997926 1.815819 9 6 0 3.100366 2.528417 3.181037 10 1 0 2.396789 3.160576 3.701847 11 8 0 3.356679 1.389683 4.006706 12 6 0 4.725459 1.060678 4.019830 13 1 0 5.103625 1.236447 5.023162 14 6 0 4.906931 -0.411750 3.673480 15 6 0 4.459850 3.233421 3.091899 16 1 0 4.532561 3.870201 2.223130 17 6 0 5.406009 2.035596 3.050655 18 1 0 5.453382 1.622502 2.048785 19 1 0 6.404970 2.309309 3.369743 20 8 0 4.741435 3.939086 4.272212 21 1 0 5.957888 -0.693006 3.721002 22 1 0 4.538139 -0.614963 2.673694 23 1 0 4.355532 -1.035975 4.370831 24 15 0 4.467182 5.551948 4.390028 25 8 0 4.812116 5.922329 5.775020 26 8 0 3.203059 5.882370 3.717963 27 8 0 5.684246 6.108513 3.432488 28 1 0 6.475883 6.090921 3.952583 29 1 0 -0.388785 2.534497 -0.212496 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.476959 0.000000 3 O 1.484716 2.603530 0.000000 4 O 1.656866 2.514652 2.532515 0.000000 5 C 1.841720 2.718801 2.701910 2.675990 0.000000 6 H 2.529330 3.027090 3.668144 2.995153 1.080243 7 C 2.783752 3.797559 3.029615 3.700158 1.323935 8 H 2.877388 4.016409 2.566918 3.915684 2.061301 9 C 4.248378 5.140167 4.527519 5.008711 2.547768 10 H 4.675492 5.660863 5.035479 5.094211 2.948813 11 O 5.126024 6.090738 5.021661 6.010058 3.672846 12 C 5.793894 6.514606 5.699526 6.919254 4.404585 13 H 6.809364 7.533964 6.745142 7.853845 5.321921 14 C 6.049379 6.755724 5.624262 7.334305 5.042244 15 C 4.940210 5.451519 5.460569 5.842835 3.205380 16 H 4.559164 4.841519 5.340738 5.429379 2.883852 17 C 5.379991 5.799124 5.622035 6.585112 3.929473 18 H 4.777904 5.049317 4.988667 6.152261 3.602430 19 H 6.333881 6.606603 6.637527 7.550351 4.887694 20 O 6.226854 6.761540 6.763619 6.956816 4.423474 21 H 6.818669 7.358820 6.435092 8.195925 5.847045 22 H 5.239994 5.915768 4.712443 6.612049 4.492148 23 H 6.589039 7.450321 5.994543 7.760584 5.633353 24 P 6.859478 7.302883 7.639575 7.296380 5.047179 25 O 8.251466 8.755030 8.940776 8.657086 6.419228 26 O 6.114949 6.628593 7.011194 6.266386 4.370285 27 O 7.121183 7.232234 8.058123 7.696749 5.446256 28 H 7.891379 7.985338 8.757673 8.556198 6.211336 29 H 2.141707 3.308818 2.557243 0.947977 2.864036 6 7 8 9 10 6 H 0.000000 7 C 2.087585 0.000000 8 H 3.029560 1.076559 0.000000 9 C 2.801720 1.515968 2.194291 0.000000 10 H 2.997906 2.158883 2.870545 1.079764 0.000000 11 O 4.142251 2.393855 2.455155 1.429735 2.037251 12 C 4.819025 3.230793 3.262968 2.344943 3.151728 13 H 5.622648 4.155224 4.253411 3.012584 3.574229 14 C 5.683669 3.868961 3.482724 3.485794 4.366135 15 C 3.097719 2.571025 3.347238 1.534006 2.152572 16 H 2.502692 2.722612 3.648354 2.183839 2.692897 17 C 4.114587 3.104638 3.481940 2.361326 3.277963 18 H 3.915685 2.950409 3.203328 2.763939 3.800138 19 H 4.939398 4.158425 4.562883 3.317232 4.111018 20 O 4.155602 3.774761 4.532853 2.423584 2.535500 21 H 6.422362 4.763037 4.440932 4.339880 5.247084 22 H 5.257860 3.430196 2.873446 3.493627 4.460625 23 H 6.336726 4.375989 3.848050 3.961810 4.679237 24 P 4.456355 4.732043 5.654669 3.531513 3.237095 25 O 5.887047 5.958984 6.792257 4.601898 4.214158 26 O 3.645639 4.311301 5.315582 3.398210 2.838748 27 O 4.731612 5.369634 6.328400 4.422302 4.423829 28 H 5.570072 6.017074 6.911889 4.967981 5.028797 29 H 3.310863 3.618328 3.716667 4.867266 4.844943 11 12 13 14 15 11 O 0.000000 12 C 1.407826 0.000000 13 H 2.026940 1.086545 0.000000 14 C 2.399892 1.523462 2.139365 0.000000 15 C 2.335216 2.377482 2.851690 3.718252 0.000000 16 H 3.273654 3.340473 3.886252 4.536383 1.079599 17 C 2.351806 1.533922 2.149619 2.574198 1.526992 18 H 2.878163 2.174980 3.019650 2.660155 2.161077 19 H 3.247078 2.191450 2.361849 3.120984 2.171330 20 O 2.913332 2.889496 2.828316 4.394957 1.403707 21 H 3.344474 2.164160 2.479551 1.088978 4.249320 22 H 2.681674 2.157532 3.044256 1.084839 3.871833 23 H 2.648416 2.157777 2.479734 1.086276 4.458060 24 P 4.324882 4.513896 4.407887 6.022666 2.657208 25 O 5.078396 5.169511 4.754762 6.674280 3.814898 26 O 4.504576 5.065327 5.186550 6.520821 2.998067 27 O 5.292888 5.171546 5.157945 6.570855 3.143453 28 H 5.642163 5.326523 5.157049 6.695091 3.601454 29 H 5.756802 6.800016 7.698287 7.199013 5.909042 16 17 18 19 20 16 H 0.000000 17 C 2.193965 0.000000 18 H 2.435253 1.084727 0.000000 19 H 2.693886 1.083817 1.766961 0.000000 20 O 2.060852 2.357358 3.288930 2.497594 0.000000 21 H 5.009794 2.863425 2.900416 3.055676 4.820775 22 H 4.507742 2.814385 2.496884 3.538490 4.830731 23 H 5.358593 3.504414 3.696576 4.048864 4.990980 24 P 2.743719 3.878150 4.679161 3.912891 1.640249 25 O 4.111605 4.783468 5.725780 4.623468 2.489312 26 O 2.837415 4.482852 5.098684 4.810433 2.539713 27 O 2.792663 4.100228 4.700237 3.867472 2.510069 28 H 3.420396 4.289961 4.963540 3.826921 2.782241 29 H 5.651196 6.669085 6.330564 7.683635 6.957344 21 22 23 24 25 21 H 0.000000 22 H 1.765965 0.000000 23 H 1.762797 1.758088 0.000000 24 P 6.455172 6.401690 6.588897 0.000000 25 O 7.020999 7.240820 7.113241 1.474572 0.000000 26 O 7.129141 6.714780 7.043999 1.469305 2.611923 27 O 6.813133 6.862541 7.327324 1.645567 2.506538 28 H 6.807614 7.096428 7.447380 2.125260 2.473423 29 H 8.134460 6.521025 7.500913 7.339527 8.624217 26 27 28 29 26 O 0.000000 27 O 2.507773 0.000000 28 H 3.287845 0.947364 0.000000 29 H 6.289523 7.933549 8.781782 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.693490 -0.688597 0.201642 2 8 0 -3.966353 -1.204967 1.558224 3 8 0 -4.280825 0.571889 -0.318545 4 8 0 -4.103525 -1.896682 -0.855527 5 6 0 -1.874560 -0.634034 -0.081993 6 1 0 -1.306499 -1.523447 0.148607 7 6 0 -1.261125 0.449925 -0.530921 8 1 0 -1.862924 1.313121 -0.758316 9 6 0 0.221573 0.628514 -0.791445 10 1 0 0.551795 0.024206 -1.623103 11 8 0 0.466487 1.997411 -1.123528 12 6 0 0.996020 2.706217 -0.028465 13 1 0 2.014310 2.993941 -0.275202 14 6 0 0.172996 3.963813 0.220574 15 6 0 1.125778 0.375333 0.421602 16 1 0 0.786624 -0.460029 1.015470 17 6 0 1.025574 1.717118 1.143596 18 1 0 0.110336 1.769745 1.723426 19 1 0 1.872341 1.876905 1.800949 20 8 0 2.464558 0.218411 0.029890 21 1 0 0.595186 4.546054 1.038268 22 1 0 -0.850178 3.704631 0.471204 23 1 0 0.155849 4.587867 -0.668391 24 15 0 3.132061 -1.268223 -0.156597 25 8 0 4.508070 -1.038429 -0.634254 26 8 0 2.156800 -2.164822 -0.792076 27 8 0 3.246351 -1.718354 1.422077 28 1 0 4.015518 -1.293505 1.776171 29 1 0 -4.030966 -1.544172 -1.732528 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5435250 0.1997762 0.1620979 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1597.8840295479 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 2.05D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 -0.000000 Rot= 0.999944 0.004339 -0.002218 -0.009343 Ang= 1.21 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57022393 A.U. after 12 cycles NFock= 12 Conv=0.59D-08 -V/T= 2.0015 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 15 0.000498821 0.002466606 0.004481402 2 8 -0.000107611 -0.000285848 0.000249060 3 8 -0.000042097 0.000959576 -0.000201741 4 8 0.001292237 0.000037494 0.001334524 5 6 -0.000382959 -0.003243191 -0.004259780 6 1 -0.000104565 0.000271023 -0.000339490 7 6 -0.001023347 0.000921654 -0.002250116 8 1 -0.000178007 -0.000127987 0.000562871 9 6 0.001865384 -0.001284254 0.001522046 10 1 -0.000163284 0.000035991 0.000053672 11 8 -0.000388555 0.000861794 -0.001132386 12 6 0.001577434 -0.000186492 0.000589646 13 1 -0.000345910 0.000166318 0.000461932 14 6 -0.000387766 0.000796447 -0.000048032 15 6 0.000114150 -0.001269183 -0.000710175 16 1 0.000240385 0.000155109 0.000218456 17 6 -0.001219203 0.001452237 0.001295060 18 1 -0.000809728 -0.000377865 -0.000821250 19 1 -0.000027126 -0.000404477 -0.000734339 20 8 -0.001310969 0.001623496 0.001095970 21 1 0.000032934 0.000002572 -0.000011082 22 1 0.000035905 -0.000142258 -0.000040230 23 1 0.000066666 -0.000067796 0.000065005 24 15 0.002570236 0.000306541 -0.002009528 25 8 -0.000747312 -0.000838180 0.000929572 26 8 -0.000604626 -0.000712279 0.001091247 27 8 0.000332794 -0.000743137 -0.000415139 28 1 -0.000411805 0.000596769 0.000143610 29 1 -0.000372075 -0.000970682 -0.001120783 ------------------------------------------------------------------- Cartesian Forces: Max 0.004481402 RMS 0.001149404 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.005335411 RMS 0.000683383 Search for a local minimum. Step number 9 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 8 9 DE= -8.25D-04 DEPred=-5.37D-04 R= 1.54D+00 TightC=F SS= 1.41D+00 RLast= 5.07D-01 DXNew= 2.4000D+00 1.5214D+00 Trust test= 1.54D+00 RLast= 5.07D-01 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00231 0.00249 0.00569 0.01077 0.01999 Eigenvalues --- 0.02390 0.02504 0.03073 0.03176 0.03554 Eigenvalues --- 0.03676 0.04198 0.04367 0.04404 0.04780 Eigenvalues --- 0.05159 0.05249 0.05486 0.05517 0.05543 Eigenvalues --- 0.05826 0.06547 0.06627 0.07578 0.07857 Eigenvalues --- 0.08080 0.08311 0.11754 0.13746 0.14706 Eigenvalues --- 0.15435 0.15614 0.15873 0.15993 0.16000 Eigenvalues --- 0.16001 0.16011 0.16056 0.16133 0.16583 Eigenvalues --- 0.17559 0.18757 0.19517 0.20219 0.20920 Eigenvalues --- 0.21089 0.21725 0.22826 0.23810 0.24399 Eigenvalues --- 0.25276 0.26169 0.28201 0.28482 0.29149 Eigenvalues --- 0.29578 0.31630 0.33488 0.33553 0.33612 Eigenvalues --- 0.33738 0.33883 0.34212 0.34571 0.34666 Eigenvalues --- 0.36182 0.37358 0.39186 0.43545 0.45682 Eigenvalues --- 0.46232 0.48167 0.54147 0.55110 0.59354 Eigenvalues --- 0.61728 0.63829 0.67231 0.73039 0.99044 Eigenvalues --- 1.01230 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 9 8 7 6 RFO step: Lambda=-7.05042630D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.68613 -0.02120 -1.73063 1.06569 Iteration 1 RMS(Cart)= 0.06087113 RMS(Int)= 0.00191354 Iteration 2 RMS(Cart)= 0.00208491 RMS(Int)= 0.00011947 Iteration 3 RMS(Cart)= 0.00000561 RMS(Int)= 0.00011941 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00011941 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79105 -0.00034 0.00036 -0.00084 -0.00048 2.79057 R2 2.80571 -0.00095 -0.00189 0.00244 0.00055 2.80626 R3 3.13102 -0.00128 -0.00612 -0.00212 -0.00824 3.12279 R4 3.48035 -0.00534 0.00033 -0.00800 -0.00767 3.47267 R5 1.79142 -0.00021 0.00276 -0.00415 -0.00139 1.79003 R6 2.04136 0.00025 0.00058 0.00026 0.00084 2.04220 R7 2.50187 -0.00069 0.00222 -0.00364 -0.00142 2.50045 R8 2.03440 0.00014 0.00098 -0.00045 0.00053 2.03493 R9 2.86476 0.00150 0.00621 -0.00135 0.00486 2.86963 R10 2.04046 0.00015 -0.00002 0.00168 0.00166 2.04212 R11 2.70181 -0.00113 -0.00653 -0.00014 -0.00688 2.69493 R12 2.89885 -0.00082 -0.00314 -0.00150 -0.00483 2.89402 R13 2.66041 0.00001 0.00592 -0.00161 0.00434 2.66475 R14 2.05327 0.00033 -0.00244 0.00176 -0.00068 2.05259 R15 2.87893 -0.00059 -0.00470 0.00338 -0.00132 2.87761 R16 2.89869 -0.00047 0.00451 -0.00328 0.00146 2.90015 R17 2.05787 0.00003 0.00092 -0.00045 0.00047 2.05834 R18 2.05005 0.00005 0.00064 -0.00093 -0.00029 2.04976 R19 2.05276 0.00005 -0.00026 0.00082 0.00057 2.05333 R20 2.04015 -0.00007 -0.00062 -0.00054 -0.00116 2.03898 R21 2.88560 -0.00148 0.00055 -0.00554 -0.00486 2.88073 R22 2.65262 0.00079 0.00045 0.00211 0.00256 2.65518 R23 2.04984 0.00087 0.00005 0.00230 0.00235 2.05219 R24 2.04812 -0.00034 -0.00136 0.00022 -0.00114 2.04698 R25 3.09962 -0.00158 -0.00042 -0.00337 -0.00379 3.09583 R26 2.78654 0.00049 0.00169 -0.00043 0.00127 2.78781 R27 2.77658 -0.00014 0.00142 -0.00061 0.00081 2.77739 R28 3.10967 0.00005 -0.00165 -0.00009 -0.00174 3.10793 R29 1.79026 -0.00028 0.00283 -0.00351 -0.00068 1.78957 A1 2.14783 -0.00002 0.00470 -0.00163 0.00308 2.15091 A2 1.86023 0.00021 0.00342 -0.00086 0.00258 1.86281 A3 1.91163 -0.00065 -0.00389 -0.00242 -0.00635 1.90528 A4 1.87295 -0.00068 -0.00924 -0.00520 -0.01442 1.85853 A5 1.88766 0.00058 -0.00805 0.01372 0.00577 1.89342 A6 1.73935 0.00073 0.01595 -0.00509 0.01089 1.75023 A7 1.87570 -0.00005 -0.00138 -0.00500 -0.00637 1.86933 A8 2.05115 -0.00074 -0.00346 -0.00016 -0.00363 2.04752 A9 2.13422 0.00072 0.00549 -0.00146 0.00403 2.13825 A10 2.09767 0.00002 -0.00191 0.00162 -0.00029 2.09738 A11 2.05905 0.00031 -0.00170 0.00318 0.00147 2.06052 A12 2.22421 0.00038 -0.00043 0.00213 0.00168 2.22589 A13 1.99981 -0.00069 0.00207 -0.00523 -0.00317 1.99664 A14 1.94502 0.00016 -0.00797 0.00297 -0.00498 1.94004 A15 1.89679 0.00024 0.01092 -0.00659 0.00449 1.90127 A16 2.00553 -0.00040 0.00686 -0.00412 0.00298 2.00850 A17 1.88028 -0.00020 -0.00440 0.00205 -0.00228 1.87800 A18 1.91392 -0.00005 -0.00043 0.00241 0.00197 1.91589 A19 1.81391 0.00027 -0.00519 0.00346 -0.00221 1.81170 A20 1.94531 -0.00019 -0.00155 -0.00187 -0.00365 1.94165 A21 1.88514 0.00019 -0.00209 -0.00600 -0.00808 1.87706 A22 1.91725 -0.00009 0.00418 -0.00107 0.00301 1.92026 A23 1.85140 -0.00040 -0.00431 -0.00035 -0.00442 1.84699 A24 1.90162 -0.00004 0.00077 0.00127 0.00211 1.90373 A25 1.90309 0.00028 0.00487 0.00373 0.00867 1.91176 A26 2.00181 0.00006 -0.00371 0.00184 -0.00192 1.99988 A27 1.93335 -0.00008 -0.00470 0.00255 -0.00215 1.93120 A28 1.92844 0.00021 0.00621 -0.00326 0.00295 1.93140 A29 1.92728 0.00004 -0.00175 0.00361 0.00185 1.92913 A30 1.89644 -0.00008 -0.00113 -0.00053 -0.00165 1.89479 A31 1.88962 -0.00004 0.00102 -0.00225 -0.00124 1.88838 A32 1.88749 -0.00007 0.00037 -0.00022 0.00014 1.88764 A33 1.95792 -0.00008 0.00716 -0.00310 0.00413 1.96204 A34 1.76215 -0.00015 -0.00667 -0.00049 -0.00707 1.75508 A35 1.93902 0.00019 -0.00522 -0.00281 -0.00812 1.93090 A36 1.98146 0.00003 0.00763 -0.00431 0.00324 1.98470 A37 1.94617 0.00009 -0.00568 0.00784 0.00225 1.94842 A38 1.86791 -0.00009 0.00270 0.00204 0.00454 1.87245 A39 1.77889 0.00021 0.00064 -0.00092 0.00057 1.77945 A40 1.94003 -0.00006 -0.00611 -0.00140 -0.00746 1.93257 A41 1.96430 -0.00008 0.00657 -0.00004 0.00649 1.97078 A42 1.92916 -0.00016 -0.01287 0.00628 -0.00637 1.92279 A43 1.94449 0.00003 0.01579 -0.00650 0.00903 1.95351 A44 1.90482 0.00006 -0.00462 0.00242 -0.00232 1.90250 A45 2.11903 0.00114 -0.00476 0.00482 0.00006 2.11908 A46 1.84974 -0.00133 0.00357 -0.00480 -0.00120 1.84854 A47 1.90935 -0.00131 -0.00895 0.00155 -0.00740 1.90196 A48 1.73870 0.00115 0.00635 0.00114 0.00750 1.74620 A49 2.18265 -0.00075 0.00175 -0.00458 -0.00280 2.17985 A50 1.86354 0.00149 -0.00145 0.00071 -0.00075 1.86279 A51 1.86931 0.00127 -0.00004 0.00722 0.00720 1.87652 A52 1.86742 -0.00020 -0.00456 0.00025 -0.00431 1.86310 D1 3.02692 -0.00087 -0.14319 -0.02482 -0.16805 2.85887 D2 0.69596 -0.00050 -0.14508 -0.01848 -0.16365 0.53231 D3 -1.26907 -0.00122 -0.14011 -0.02978 -0.16975 -1.43882 D4 0.86643 0.00013 -0.01781 -0.00647 -0.02429 0.84214 D5 -2.25685 -0.00006 -0.02634 -0.00643 -0.03278 -2.28963 D6 -3.03426 0.00004 -0.02162 0.00107 -0.02055 -3.05481 D7 0.12564 -0.00015 -0.03015 0.00112 -0.02904 0.09660 D8 -1.08073 -0.00022 -0.02750 -0.00246 -0.02994 -1.11067 D9 2.07918 -0.00041 -0.03602 -0.00241 -0.03843 2.04075 D10 -0.02875 0.00015 0.00221 0.00444 0.00666 -0.02210 D11 3.12976 0.00012 0.01029 -0.00190 0.00838 3.13814 D12 3.13163 -0.00004 -0.00656 0.00451 -0.00204 3.12959 D13 0.00696 -0.00007 0.00152 -0.00183 -0.00031 0.00665 D14 1.18579 0.00018 0.04424 0.01924 0.06345 1.24925 D15 -3.02803 0.00018 0.04106 0.01937 0.06049 -2.96754 D16 -1.00481 0.00044 0.04587 0.01675 0.06258 -0.94223 D17 -1.93937 0.00015 0.05210 0.01301 0.06509 -1.87428 D18 0.13000 0.00015 0.04891 0.01315 0.06212 0.19212 D19 2.15321 0.00041 0.05372 0.01053 0.06422 2.21743 D20 1.77219 -0.00017 -0.04447 0.01500 -0.02958 1.74261 D21 -2.40127 0.00004 -0.05020 0.01598 -0.03433 -2.43560 D22 -0.37129 0.00002 -0.05517 0.02127 -0.03414 -0.40543 D23 0.68211 -0.00006 0.03090 -0.00708 0.02389 0.70600 D24 -1.43333 0.00003 0.02252 -0.00024 0.02233 -1.41100 D25 2.87368 0.00014 0.02504 -0.00125 0.02371 2.89738 D26 -1.52456 0.00008 0.03653 -0.00990 0.02665 -1.49792 D27 2.64319 0.00017 0.02815 -0.00306 0.02509 2.66827 D28 0.66701 0.00029 0.03067 -0.00407 0.02646 0.69346 D29 2.75237 0.00020 0.04446 -0.01508 0.02953 2.78190 D30 0.63694 0.00029 0.03608 -0.00824 0.02797 0.66490 D31 -1.33924 0.00040 0.03860 -0.00924 0.02934 -1.30990 D32 1.98192 0.00004 0.05329 -0.02353 0.02974 2.01166 D33 -2.22923 0.00005 0.05538 -0.02614 0.02921 -2.20002 D34 -0.05641 -0.00018 0.05094 -0.02475 0.02585 -0.03056 D35 -3.09928 -0.00023 -0.00845 0.00620 -0.00222 -3.10150 D36 1.08137 -0.00022 -0.00806 0.00735 -0.00068 1.08069 D37 -1.00605 -0.00030 -0.01137 0.00739 -0.00396 -1.01001 D38 -1.03742 -0.00007 -0.00808 -0.00094 -0.00902 -1.04644 D39 -3.13996 -0.00007 -0.00770 0.00021 -0.00748 3.13575 D40 1.05581 -0.00014 -0.01101 0.00025 -0.01076 1.04505 D41 1.10092 0.00031 -0.00358 0.00620 0.00258 1.10350 D42 -1.00162 0.00031 -0.00320 0.00734 0.00411 -0.99750 D43 -3.08903 0.00024 -0.00651 0.00738 0.00084 -3.08819 D44 0.45931 0.00037 -0.02494 0.01829 -0.00650 0.45280 D45 -1.59636 0.00047 -0.00850 0.01212 0.00382 -1.59253 D46 2.54407 0.00049 -0.00251 0.01003 0.00770 2.55177 D47 -1.56693 0.00022 -0.02256 0.02364 0.00103 -1.56590 D48 2.66059 0.00032 -0.00613 0.01747 0.01135 2.67194 D49 0.51783 0.00034 -0.00013 0.01538 0.01523 0.53306 D50 2.57870 0.00001 -0.02486 0.01783 -0.00704 2.57166 D51 0.52304 0.00011 -0.00842 0.01166 0.00329 0.52633 D52 -1.61972 0.00013 -0.00242 0.00957 0.00716 -1.61256 D53 -0.65582 -0.00035 -0.00768 -0.00523 -0.01261 -0.66843 D54 1.40762 -0.00037 -0.01919 -0.00457 -0.02368 1.38394 D55 -2.75452 -0.00038 -0.02349 -0.00158 -0.02492 -2.77944 D56 -2.75457 -0.00017 -0.01569 0.00082 -0.01470 -2.76927 D57 -0.69112 -0.00020 -0.02720 0.00148 -0.02577 -0.71689 D58 1.42992 -0.00021 -0.03150 0.00447 -0.02701 1.40291 D59 1.37365 -0.00024 -0.01535 -0.00781 -0.02304 1.35062 D60 -2.84609 -0.00027 -0.02687 -0.00715 -0.03411 -2.88019 D61 -0.72505 -0.00028 -0.03116 -0.00416 -0.03535 -0.76040 D62 -1.71187 0.00015 -0.07063 0.01100 -0.05964 -1.77151 D63 0.48624 0.00025 -0.06958 0.01075 -0.05872 0.42752 D64 2.66282 0.00029 -0.06173 0.01182 -0.05000 2.61282 D65 3.09243 -0.00131 -0.04918 0.01047 -0.03874 3.05369 D66 0.69702 0.00185 -0.04749 0.01929 -0.02822 0.66880 D67 -1.25918 0.00035 -0.04743 0.01027 -0.03712 -1.29629 D68 -1.39232 -0.00038 -0.07190 -0.00633 -0.07819 -1.47051 D69 0.52833 -0.00095 -0.06593 -0.01089 -0.07684 0.45149 D70 2.90352 0.00017 -0.06472 -0.01082 -0.07556 2.82796 Item Value Threshold Converged? Maximum Force 0.005335 0.000450 NO RMS Force 0.000683 0.000300 NO Maximum Displacement 0.304204 0.001800 NO RMS Displacement 0.060767 0.001200 NO Predicted change in Energy=-3.765627D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.617300 2.001222 -0.756269 2 8 0 2.452863 2.395221 -1.908335 3 8 0 1.242103 0.593949 -0.466350 4 8 0 0.203286 2.846997 -0.882795 5 6 0 2.309590 2.746752 0.774062 6 1 0 2.554567 3.798936 0.746129 7 6 0 2.520059 2.043962 1.875243 8 1 0 2.253109 1.000753 1.869119 9 6 0 3.086928 2.538674 3.194290 10 1 0 2.376778 3.166777 3.712907 11 8 0 3.360915 1.416252 4.030260 12 6 0 4.730335 1.080985 4.003089 13 1 0 5.127879 1.246587 5.000249 14 6 0 4.900483 -0.387293 3.637003 15 6 0 4.435910 3.256480 3.092643 16 1 0 4.492053 3.907209 2.233804 17 6 0 5.382360 2.063608 3.020951 18 1 0 5.391672 1.652943 2.015664 19 1 0 6.393528 2.332066 3.301714 20 8 0 4.721429 3.944892 4.283764 21 1 0 5.952914 -0.667581 3.652557 22 1 0 4.505665 -0.582835 2.645830 23 1 0 4.370334 -1.020104 4.343503 24 15 0 4.506684 5.564353 4.406534 25 8 0 4.786366 5.903868 5.814671 26 8 0 3.287938 5.941480 3.676773 27 8 0 5.792980 6.091855 3.527875 28 1 0 6.537050 6.103862 4.113561 29 1 0 -0.425077 2.426129 -0.312448 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.476704 0.000000 3 O 1.485006 2.605732 0.000000 4 O 1.652507 2.513251 2.515709 0.000000 5 C 1.837660 2.709124 2.704202 2.681742 0.000000 6 H 2.523380 3.004486 3.669415 3.014648 1.080687 7 C 2.782384 3.800442 3.036242 3.690404 1.323183 8 H 2.880600 4.031575 2.577215 3.896591 2.061760 9 C 4.249186 5.143870 4.537137 5.003307 2.550501 10 H 4.680690 5.674455 5.037173 5.093801 2.969468 11 O 5.127694 6.086858 5.038357 6.012966 3.671286 12 C 5.761017 6.469855 5.690417 6.890924 4.365937 13 H 6.784626 7.496906 6.738612 7.837292 5.296594 14 C 5.982068 6.669632 5.584270 7.276872 4.973067 15 C 4.932987 5.448305 5.473199 5.821245 3.186986 16 H 4.564815 4.858160 5.369422 5.406549 2.870654 17 C 5.333570 5.743673 5.609179 6.532667 3.867443 18 H 4.695828 4.958361 4.949827 6.061863 3.498175 19 H 6.276069 6.532797 6.614871 7.489617 4.820740 20 O 6.230201 6.774213 6.774814 6.950707 4.423857 21 H 6.734821 7.249457 6.383462 8.122801 5.763438 22 H 5.156965 5.815774 4.660613 6.536468 4.405952 23 H 6.535693 7.377439 5.960342 7.722237 5.583617 24 P 6.906445 7.357931 7.688133 7.340317 5.095189 25 O 8.273504 8.797764 8.955906 8.672089 6.442789 26 O 6.161861 6.668338 7.067319 6.315107 4.425967 27 O 7.247308 7.373863 8.178709 7.824819 5.559425 28 H 8.046791 8.166874 8.909051 8.699846 6.347744 29 H 2.132798 3.290949 2.481947 0.947241 2.960018 6 7 8 9 10 6 H 0.000000 7 C 2.087110 0.000000 8 H 3.030151 1.076840 0.000000 9 C 2.804490 1.518540 2.194660 0.000000 10 H 3.038586 2.158298 2.847193 1.080643 0.000000 11 O 4.136774 2.396905 2.463818 1.426094 2.033120 12 C 4.767496 3.215645 3.270613 2.340897 3.158158 13 H 5.588736 4.147553 4.257783 3.016034 3.593458 14 C 5.602231 3.831607 3.472848 3.470772 4.359617 15 C 3.056115 2.573470 3.368967 1.531447 2.152393 16 H 2.445149 2.736607 3.686917 2.183987 2.685214 17 C 4.022760 3.083148 3.499798 2.350478 3.275562 18 H 3.777059 2.901512 3.208957 2.735969 3.776494 19 H 4.839457 4.137823 4.579060 3.314789 4.123117 20 O 4.151079 3.776313 4.537738 2.415781 2.535493 21 H 6.320274 4.721843 4.433119 4.324807 5.243538 22 H 5.159028 3.381789 2.860951 3.472383 4.441892 23 H 6.281820 4.347910 3.832633 3.953823 4.679945 24 P 4.508439 4.769409 5.687136 3.555275 3.281156 25 O 5.924676 5.962727 6.784195 4.591189 4.208942 26 O 3.703648 4.361858 5.361835 3.442715 2.920701 27 O 4.845917 5.461560 6.418838 4.478738 4.501194 28 H 5.701969 6.134254 7.030746 5.045688 5.108312 29 H 3.447240 3.688614 3.736792 4.964278 4.960084 11 12 13 14 15 11 O 0.000000 12 C 1.410126 0.000000 13 H 2.022827 1.086183 0.000000 14 C 2.403683 1.522763 2.140026 0.000000 15 C 2.328343 2.376632 2.856126 3.713386 0.000000 16 H 3.272857 3.342857 3.890553 4.536356 1.078983 17 C 2.350323 1.534693 2.156364 2.572672 1.524419 18 H 2.870295 2.171258 3.023650 2.651899 2.155156 19 H 3.250575 2.196211 2.380158 3.120339 2.174976 20 O 2.882583 2.877642 2.821242 4.383855 1.405063 21 H 3.347160 2.162188 2.482136 1.089227 4.244180 22 H 2.687647 2.158918 3.045854 1.084685 3.865857 23 H 2.655725 2.158716 2.478523 1.086577 4.456245 24 P 4.319851 4.507037 4.402441 6.014095 2.656613 25 O 5.035348 5.152201 4.740272 6.658375 3.813255 26 O 4.539600 5.080493 5.213348 6.531099 2.977964 27 O 5.294204 5.144304 5.107530 6.541239 3.173392 28 H 5.662902 5.339075 5.134695 6.711225 3.683021 29 H 5.849162 6.856496 7.775049 7.202436 5.992772 16 17 18 19 20 16 H 0.000000 17 C 2.193424 0.000000 18 H 2.436927 1.085971 0.000000 19 H 2.690188 1.083216 1.766025 0.000000 20 O 2.063097 2.360245 3.293407 2.522210 0.000000 21 H 5.007562 2.860743 2.894692 3.052068 4.815588 22 H 4.508930 2.813001 2.486126 3.534241 4.819720 23 H 5.361348 3.504657 3.688786 4.051627 4.977753 24 P 2.732598 3.865471 4.668895 3.902369 1.638243 25 O 4.110459 4.786196 5.733167 4.653567 2.487062 26 O 2.769533 4.455850 5.057324 4.776319 2.531738 27 O 2.853017 4.080729 4.706566 3.814160 2.515758 28 H 3.541296 4.341746 5.052102 3.860846 2.826057 29 H 5.731943 6.705915 6.312883 7.717796 7.065290 21 22 23 24 25 21 H 0.000000 22 H 1.764996 0.000000 23 H 1.762452 1.758298 0.000000 24 P 6.441822 6.394373 6.586170 0.000000 25 O 7.015662 7.224795 7.090754 1.475243 0.000000 26 O 7.126176 6.716577 7.076706 1.469734 2.610997 27 O 6.762477 6.854682 7.298570 1.644645 2.505603 28 H 6.812208 7.140916 7.449726 2.121153 2.449217 29 H 8.122258 6.489799 7.519998 7.512623 8.763298 26 27 28 29 26 O 0.000000 27 O 2.513965 0.000000 28 H 3.282359 0.947002 0.000000 29 H 6.485219 8.176176 9.032524 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.702777 -0.695929 0.201307 2 8 0 -3.981392 -1.185376 1.566397 3 8 0 -4.303168 0.541813 -0.357951 4 8 0 -4.102711 -1.920310 -0.833933 5 6 0 -1.884482 -0.629376 -0.056313 6 1 0 -1.311507 -1.501349 0.225198 7 6 0 -1.275149 0.434581 -0.553826 8 1 0 -1.880241 1.280323 -0.833414 9 6 0 0.210863 0.614558 -0.809447 10 1 0 0.537543 0.016637 -1.648231 11 8 0 0.463147 1.981125 -1.129746 12 6 0 0.956772 2.685247 -0.012160 13 1 0 1.971048 2.997427 -0.243636 14 6 0 0.102741 3.919397 0.245355 15 6 0 1.114085 0.349671 0.398592 16 1 0 0.792179 -0.504735 0.973544 17 6 0 0.981847 1.673974 1.141954 18 1 0 0.048541 1.700460 1.696545 19 1 0 1.804402 1.836833 1.827693 20 8 0 2.455079 0.228457 -0.002960 21 1 0 0.499164 4.493068 1.082114 22 1 0 -0.919242 3.636733 0.473816 23 1 0 0.088428 4.562427 -0.630405 24 15 0 3.173546 -1.236551 -0.149233 25 8 0 4.516684 -0.975120 -0.700575 26 8 0 2.205425 -2.189741 -0.709847 27 8 0 3.378808 -1.615295 1.437990 28 1 0 4.184108 -1.201345 1.715389 29 1 0 -4.170998 -1.542024 -1.699671 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5540990 0.1971023 0.1613298 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1597.7569036486 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 2.02D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999986 0.002200 -0.000693 -0.004699 Ang= 0.60 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57076726 A.U. after 12 cycles NFock= 12 Conv=0.37D-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 15 0.001013092 0.001386751 0.002840007 2 8 0.000869347 -0.000367669 0.000074132 3 8 0.000431233 0.000127738 0.000179438 4 8 -0.000618042 0.001317664 0.000773306 5 6 -0.000950756 -0.001770427 -0.003447611 6 1 -0.000236234 -0.000191961 -0.000471027 7 6 -0.000217638 0.000585821 -0.000391051 8 1 -0.000192547 -0.000017232 0.000473709 9 6 -0.000646397 0.000219148 0.000068392 10 1 0.000090122 -0.000136038 0.000044476 11 8 0.000147232 -0.001205037 -0.001239199 12 6 0.000081743 0.000812365 0.000639411 13 1 0.000572410 0.000243364 0.000050128 14 6 0.000040913 0.000083169 0.000229238 15 6 0.000194709 -0.000638518 0.000526723 16 1 0.000337069 0.000176121 0.000085550 17 6 -0.000248960 -0.000363673 0.000046149 18 1 -0.000318173 0.000149335 0.000021097 19 1 0.000123528 -0.000048388 0.000127881 20 8 -0.000131108 0.000848382 -0.000547607 21 1 -0.000062932 -0.000023296 0.000007466 22 1 -0.000108714 0.000069284 -0.000065139 23 1 0.000052067 0.000129129 -0.000008804 24 15 -0.000405294 -0.001115853 0.000171558 25 8 0.000207721 0.000170963 0.000094596 26 8 0.000244092 0.000229941 0.000416389 27 8 0.000098079 -0.000199073 -0.000539926 28 1 -0.000042740 0.000221952 0.000194939 29 1 -0.000323821 -0.000693964 -0.000354221 ------------------------------------------------------------------- Cartesian Forces: Max 0.003447611 RMS 0.000696458 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.004160290 RMS 0.000465208 Search for a local minimum. Step number 10 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 9 10 DE= -5.43D-04 DEPred=-3.77D-04 R= 1.44D+00 TightC=F SS= 1.41D+00 RLast= 4.05D-01 DXNew= 2.5586D+00 1.2159D+00 Trust test= 1.44D+00 RLast= 4.05D-01 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00229 0.00260 0.00450 0.00979 0.01970 Eigenvalues --- 0.02392 0.02431 0.03077 0.03180 0.03474 Eigenvalues --- 0.03655 0.04191 0.04375 0.04405 0.04756 Eigenvalues --- 0.05154 0.05252 0.05487 0.05523 0.05528 Eigenvalues --- 0.05849 0.06552 0.06609 0.07603 0.07940 Eigenvalues --- 0.08070 0.08329 0.11681 0.13559 0.14623 Eigenvalues --- 0.15401 0.15740 0.15797 0.15965 0.15998 Eigenvalues --- 0.16001 0.16046 0.16069 0.16132 0.16442 Eigenvalues --- 0.17527 0.18719 0.19740 0.20367 0.20767 Eigenvalues --- 0.21341 0.21741 0.22850 0.23554 0.24586 Eigenvalues --- 0.25407 0.26068 0.28420 0.28579 0.29420 Eigenvalues --- 0.29821 0.31785 0.33487 0.33556 0.33605 Eigenvalues --- 0.33747 0.33874 0.34217 0.34575 0.34843 Eigenvalues --- 0.36181 0.37389 0.39131 0.43113 0.43881 Eigenvalues --- 0.45867 0.48158 0.54198 0.55005 0.59405 Eigenvalues --- 0.61828 0.64217 0.66504 0.72225 0.99050 Eigenvalues --- 1.01178 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 10 9 8 7 6 RFO step: Lambda=-3.71802012D-04. DidBck=F Rises=F RFO-DIIS coefs: 1.32334 -0.27715 0.32712 -1.09140 0.71810 Iteration 1 RMS(Cart)= 0.02611047 RMS(Int)= 0.00046305 Iteration 2 RMS(Cart)= 0.00049511 RMS(Int)= 0.00010592 Iteration 3 RMS(Cart)= 0.00000050 RMS(Int)= 0.00010592 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79057 0.00034 -0.00018 0.00127 0.00109 2.79165 R2 2.80626 -0.00019 -0.00243 0.00299 0.00056 2.80681 R3 3.12279 0.00109 -0.00411 0.00118 -0.00294 3.11985 R4 3.47267 -0.00416 -0.00559 -0.00574 -0.01133 3.46134 R5 1.79003 0.00031 0.00123 -0.00120 0.00003 1.79005 R6 2.04220 -0.00023 0.00091 -0.00103 -0.00012 2.04208 R7 2.50045 0.00021 0.00028 -0.00016 0.00012 2.50057 R8 2.03493 0.00006 0.00081 -0.00050 0.00031 2.03524 R9 2.86963 0.00024 0.00545 -0.00222 0.00323 2.87286 R10 2.04212 -0.00012 0.00022 0.00007 0.00029 2.04240 R11 2.69493 0.00031 -0.00515 0.00445 -0.00084 2.69408 R12 2.89402 0.00033 -0.00324 0.00382 0.00037 2.89438 R13 2.66475 0.00004 0.00379 -0.00062 0.00329 2.66804 R14 2.05259 0.00029 -0.00088 0.00072 -0.00016 2.05243 R15 2.87761 -0.00030 -0.00394 0.00225 -0.00169 2.87592 R16 2.90015 -0.00062 0.00088 -0.00358 -0.00247 2.89768 R17 2.05834 -0.00005 0.00055 -0.00044 0.00012 2.05846 R18 2.04976 0.00009 0.00047 -0.00037 0.00011 2.04986 R19 2.05333 -0.00011 -0.00004 0.00006 0.00002 2.05335 R20 2.03898 0.00006 -0.00016 -0.00026 -0.00042 2.03857 R21 2.88073 -0.00032 -0.00313 0.00010 -0.00300 2.87773 R22 2.65518 -0.00011 0.00050 0.00081 0.00131 2.65650 R23 2.05219 -0.00008 0.00162 -0.00097 0.00066 2.05284 R24 2.04698 0.00014 -0.00128 0.00130 0.00002 2.04700 R25 3.09583 -0.00067 -0.00188 -0.00061 -0.00248 3.09335 R26 2.78781 0.00017 0.00103 -0.00025 0.00078 2.78859 R27 2.77739 -0.00035 0.00055 -0.00013 0.00042 2.77781 R28 3.10793 0.00023 -0.00127 -0.00038 -0.00166 3.10627 R29 1.78957 0.00009 0.00130 -0.00116 0.00014 1.78971 A1 2.15091 -0.00011 0.00219 -0.00333 -0.00113 2.14978 A2 1.86281 0.00103 0.00111 0.00538 0.00651 1.86932 A3 1.90528 -0.00077 -0.00301 -0.00334 -0.00638 1.89890 A4 1.85853 0.00029 -0.00562 0.00080 -0.00481 1.85372 A5 1.89342 -0.00013 -0.00227 0.00446 0.00224 1.89567 A6 1.75023 -0.00030 0.00931 -0.00415 0.00518 1.75541 A7 1.86933 -0.00027 0.00046 -0.00461 -0.00415 1.86518 A8 2.04752 -0.00062 -0.00453 -0.00089 -0.00543 2.04209 A9 2.13825 0.00019 0.00547 -0.00127 0.00419 2.14244 A10 2.09738 0.00043 -0.00086 0.00213 0.00126 2.09864 A11 2.06052 -0.00004 0.00075 0.00021 0.00095 2.06147 A12 2.22589 0.00088 0.00051 0.00341 0.00392 2.22981 A13 1.99664 -0.00084 -0.00129 -0.00355 -0.00485 1.99179 A14 1.94004 -0.00003 -0.00314 -0.00004 -0.00313 1.93691 A15 1.90127 0.00010 0.00713 -0.00705 0.00013 1.90141 A16 2.00850 0.00013 0.00211 -0.00077 0.00145 2.00996 A17 1.87800 0.00009 -0.00284 0.00375 0.00094 1.87894 A18 1.91589 0.00006 -0.00089 0.00197 0.00103 1.91692 A19 1.81170 -0.00037 -0.00249 0.00246 -0.00021 1.81149 A20 1.94165 0.00001 -0.00149 0.00179 0.00069 1.94234 A21 1.87706 0.00039 0.00015 0.00218 0.00228 1.87934 A22 1.92026 -0.00043 0.00002 -0.00069 -0.00089 1.91937 A23 1.84699 0.00008 -0.00724 0.00293 -0.00386 1.84313 A24 1.90373 0.00002 0.00240 -0.00118 0.00132 1.90505 A25 1.91176 -0.00022 0.00608 -0.00441 0.00167 1.91342 A26 1.99988 0.00017 -0.00167 0.00137 -0.00045 1.99943 A27 1.93120 0.00010 -0.00282 0.00247 -0.00034 1.93085 A28 1.93140 -0.00013 0.00435 -0.00370 0.00064 1.93204 A29 1.92913 -0.00012 -0.00071 0.00088 0.00016 1.92929 A30 1.89479 0.00005 -0.00091 0.00077 -0.00013 1.89466 A31 1.88838 0.00001 -0.00010 -0.00047 -0.00057 1.88781 A32 1.88764 0.00009 0.00016 0.00007 0.00022 1.88786 A33 1.96204 -0.00011 0.00439 -0.00118 0.00322 1.96526 A34 1.75508 0.00010 -0.00737 0.00583 -0.00142 1.75365 A35 1.93090 0.00050 -0.00135 0.00233 0.00094 1.93185 A36 1.98470 0.00002 0.00517 -0.00272 0.00241 1.98711 A37 1.94842 -0.00007 -0.00239 -0.00091 -0.00323 1.94519 A38 1.87245 -0.00043 0.00112 -0.00278 -0.00183 1.87062 A39 1.77945 0.00003 -0.00170 -0.00200 -0.00295 1.77650 A40 1.93257 0.00011 -0.00593 0.00289 -0.00308 1.92949 A41 1.97078 -0.00015 0.00649 -0.00360 0.00270 1.97349 A42 1.92279 -0.00008 -0.00999 0.00620 -0.00374 1.91905 A43 1.95351 -0.00002 0.01268 -0.00638 0.00603 1.95954 A44 1.90250 0.00010 -0.00223 0.00285 0.00063 1.90313 A45 2.11908 0.00121 0.00081 0.00614 0.00695 2.12603 A46 1.84854 0.00017 -0.00231 0.00469 0.00237 1.85091 A47 1.90196 0.00045 -0.00763 0.00946 0.00182 1.90378 A48 1.74620 -0.00025 0.00636 -0.00441 0.00194 1.74814 A49 2.17985 -0.00018 -0.00216 -0.00009 -0.00225 2.17761 A50 1.86279 -0.00005 0.00448 -0.00756 -0.00310 1.85969 A51 1.87652 -0.00017 0.00344 -0.00342 0.00004 1.87656 A52 1.86310 -0.00017 -0.00241 0.00035 -0.00206 1.86104 D1 2.85887 0.00003 -0.06204 -0.01734 -0.07942 2.77945 D2 0.53231 -0.00075 -0.06167 -0.01744 -0.07916 0.45315 D3 -1.43882 -0.00059 -0.06129 -0.02091 -0.08211 -1.52093 D4 0.84214 0.00054 -0.00491 -0.00089 -0.00582 0.83632 D5 -2.28963 0.00058 -0.01170 0.00226 -0.00945 -2.29908 D6 -3.05481 -0.00037 -0.00642 -0.00444 -0.01087 -3.06568 D7 0.09660 -0.00033 -0.01321 -0.00129 -0.01450 0.08211 D8 -1.11067 -0.00021 -0.00932 -0.00389 -0.01320 -1.12387 D9 2.04075 -0.00018 -0.01611 -0.00074 -0.01683 2.02392 D10 -0.02210 -0.00006 0.00272 -0.00142 0.00130 -0.02079 D11 3.13814 -0.00012 0.00613 -0.00620 -0.00006 3.13808 D12 3.12959 -0.00002 -0.00423 0.00183 -0.00240 3.12719 D13 0.00665 -0.00007 -0.00083 -0.00294 -0.00377 0.00288 D14 1.24925 0.00024 0.02164 0.01624 0.03787 1.28711 D15 -2.96754 0.00039 0.02084 0.01642 0.03723 -2.93032 D16 -0.94223 0.00008 0.02371 0.01420 0.03795 -0.90428 D17 -1.87428 0.00017 0.02492 0.01158 0.03650 -1.83778 D18 0.19212 0.00033 0.02412 0.01176 0.03586 0.22798 D19 2.21743 0.00001 0.02700 0.00954 0.03658 2.25401 D20 1.74261 0.00026 -0.01346 0.03376 0.02022 1.76284 D21 -2.43560 0.00034 -0.01470 0.03189 0.01709 -2.41851 D22 -0.40543 0.00027 -0.01818 0.03691 0.01856 -0.38687 D23 0.70600 0.00007 0.01761 -0.01590 0.00176 0.70776 D24 -1.41100 0.00003 0.01384 -0.01562 -0.00174 -1.41274 D25 2.89738 0.00029 0.01694 -0.01619 0.00067 2.89806 D26 -1.49792 -0.00004 0.02085 -0.01690 0.00399 -1.49393 D27 2.66827 -0.00008 0.01708 -0.01662 0.00049 2.66876 D28 0.69346 0.00018 0.02018 -0.01719 0.00290 0.69637 D29 2.78190 0.00002 0.02581 -0.02332 0.00257 2.78447 D30 0.66490 -0.00002 0.02203 -0.02305 -0.00093 0.66397 D31 -1.30990 0.00023 0.02513 -0.02361 0.00148 -1.30842 D32 2.01166 -0.00034 0.01000 -0.03657 -0.02653 1.98513 D33 -2.20002 -0.00033 0.01299 -0.03710 -0.02410 -2.22412 D34 -0.03056 -0.00032 0.00664 -0.03398 -0.02761 -0.05817 D35 -3.10150 -0.00011 -0.00942 0.00126 -0.00805 -3.10955 D36 1.08069 -0.00016 -0.00931 0.00110 -0.00808 1.07260 D37 -1.01001 -0.00011 -0.01184 0.00284 -0.00888 -1.01889 D38 -1.04644 0.00013 -0.00781 0.00280 -0.00502 -1.05146 D39 3.13575 0.00008 -0.00770 0.00264 -0.00505 3.13069 D40 1.04505 0.00013 -0.01023 0.00438 -0.00585 1.03920 D41 1.10350 -0.00002 0.00091 -0.00292 -0.00214 1.10136 D42 -0.99750 -0.00007 0.00102 -0.00308 -0.00217 -0.99967 D43 -3.08819 -0.00002 -0.00151 -0.00134 -0.00297 -3.09116 D44 0.45280 0.00039 0.00828 0.01723 0.02565 0.47845 D45 -1.59253 0.00041 0.02282 0.00989 0.03283 -1.55970 D46 2.55177 0.00031 0.02556 0.00662 0.03235 2.58412 D47 -1.56590 -0.00001 0.00899 0.01528 0.02423 -1.54167 D48 2.67194 0.00001 0.02353 0.00794 0.03142 2.70336 D49 0.53306 -0.00009 0.02627 0.00468 0.03094 0.56400 D50 2.57166 0.00001 0.00224 0.01927 0.02153 2.59319 D51 0.52633 0.00003 0.01678 0.01193 0.02871 0.55504 D52 -1.61256 -0.00007 0.01953 0.00866 0.02824 -1.58432 D53 -0.66843 -0.00032 -0.01871 0.00341 -0.01519 -0.68362 D54 1.38394 -0.00021 -0.03027 0.00836 -0.02185 1.36209 D55 -2.77944 -0.00015 -0.03157 0.01199 -0.01958 -2.79902 D56 -2.76927 -0.00027 -0.02184 0.00249 -0.01929 -2.78856 D57 -0.71689 -0.00016 -0.03340 0.00744 -0.02595 -0.74284 D58 1.40291 -0.00010 -0.03471 0.01106 -0.02368 1.37923 D59 1.35062 0.00012 -0.02300 0.00754 -0.01542 1.33520 D60 -2.88019 0.00023 -0.03455 0.01248 -0.02208 -2.90227 D61 -0.76040 0.00030 -0.03586 0.01611 -0.01980 -0.78020 D62 -1.77151 0.00019 -0.02044 0.00627 -0.01414 -1.78565 D63 0.42752 0.00038 -0.01751 0.00581 -0.01162 0.41590 D64 2.61282 0.00006 -0.01171 -0.00018 -0.01199 2.60082 D65 3.05369 0.00063 -0.01783 0.01942 0.00158 3.05527 D66 0.66880 0.00038 -0.00717 0.00840 0.00120 0.67000 D67 -1.29629 0.00053 -0.01137 0.01099 -0.00034 -1.29663 D68 -1.47051 -0.00007 -0.03014 -0.00476 -0.03488 -1.50539 D69 0.45149 0.00001 -0.02885 -0.00363 -0.03248 0.41901 D70 2.82796 -0.00040 -0.02553 -0.01217 -0.03772 2.79024 Item Value Threshold Converged? Maximum Force 0.004160 0.000450 NO RMS Force 0.000465 0.000300 NO Maximum Displacement 0.121317 0.001800 NO RMS Displacement 0.026174 0.001200 NO Predicted change in Energy=-1.891096D-04 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.608475 2.004604 -0.759311 2 8 0 2.459400 2.379796 -1.907140 3 8 0 1.207257 0.604410 -0.468453 4 8 0 0.207249 2.867655 -0.891056 5 6 0 2.313793 2.738959 0.763267 6 1 0 2.585434 3.784130 0.723585 7 6 0 2.500200 2.043574 1.873526 8 1 0 2.204755 1.007904 1.879328 9 6 0 3.076606 2.532605 3.192527 10 1 0 2.366440 3.155257 3.717963 11 8 0 3.359441 1.406532 4.019834 12 6 0 4.735182 1.089727 4.001600 13 1 0 5.129838 1.276451 4.996080 14 6 0 4.925551 -0.380293 3.656797 15 6 0 4.422864 3.255336 3.086836 16 1 0 4.473979 3.914022 2.234047 17 6 0 5.369996 2.065775 3.003797 18 1 0 5.354886 1.649198 2.000640 19 1 0 6.387984 2.332798 3.260279 20 8 0 4.715793 3.936719 4.281017 21 1 0 5.982283 -0.644210 3.671468 22 1 0 4.529232 -0.597217 2.670624 23 1 0 4.409022 -1.010486 4.375634 24 15 0 4.520002 5.555860 4.420963 25 8 0 4.807551 5.881184 5.831299 26 8 0 3.303775 5.956917 3.699358 27 8 0 5.809560 6.080507 3.547028 28 1 0 6.546635 6.107608 4.141111 29 1 0 -0.445184 2.412676 -0.376646 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.477279 0.000000 3 O 1.485301 2.605701 0.000000 4 O 1.650953 2.518456 2.510157 0.000000 5 C 1.831665 2.698384 2.701454 2.681581 0.000000 6 H 2.513990 2.984754 3.664826 3.017078 1.080623 7 C 2.780022 3.795807 3.037723 3.685057 1.323247 8 H 2.882946 4.035378 2.582612 3.888925 2.062531 9 C 4.248672 5.139153 4.540394 5.002111 2.554558 10 H 4.684495 5.679064 5.037520 5.097830 2.984343 11 O 5.124823 6.073413 5.041827 6.015650 3.670691 12 C 5.768845 6.461940 5.715170 6.899369 4.366908 13 H 6.786364 7.483519 6.760134 7.837231 5.290156 14 C 6.016041 6.682618 5.640305 7.313994 4.992347 15 C 4.927268 5.437055 5.477922 5.809074 3.180220 16 H 4.562585 4.854051 5.378523 5.391303 2.865374 17 C 5.321069 5.717297 5.614313 6.516660 3.848835 18 H 4.666824 4.918166 4.938707 6.028657 3.459323 19 H 6.253681 6.491394 6.612919 7.464660 4.795734 20 O 6.228435 6.768206 6.780234 6.944077 4.424793 21 H 6.765960 7.257836 6.441962 8.154805 5.775922 22 H 5.202379 5.839754 4.725804 6.585623 4.435791 23 H 6.580387 7.400560 6.026970 7.773860 5.612264 24 P 6.922691 7.374168 7.706980 7.351452 5.116741 25 O 8.288432 8.812319 8.971808 8.685286 6.463540 26 O 6.194720 6.703849 7.100378 6.340656 4.467208 27 O 7.266819 7.393699 8.203226 7.836128 5.579933 28 H 8.076770 8.196549 8.946632 8.718247 6.377663 29 H 2.128490 3.283307 2.451289 0.947255 3.002968 6 7 8 9 10 6 H 0.000000 7 C 2.087861 0.000000 8 H 3.031186 1.077002 0.000000 9 C 2.811269 1.520250 2.193018 0.000000 10 H 3.067529 2.157702 2.831580 1.080794 0.000000 11 O 4.137307 2.398074 2.464543 1.425648 2.033523 12 C 4.756742 3.230119 3.303603 2.342514 3.155599 13 H 5.569260 4.153772 4.282800 3.007738 3.577690 14 C 5.605559 3.864908 3.534009 3.481253 4.364964 15 C 3.039856 2.576263 3.380686 1.531640 2.153420 16 H 2.421769 2.743056 3.704150 2.186241 2.686904 17 C 3.988219 3.084435 3.521687 2.348018 3.273890 18 H 3.722722 2.884601 3.217033 2.718742 3.761412 19 H 4.795890 4.137826 4.600193 3.318093 4.130222 20 O 4.149341 3.780062 4.544379 2.417288 2.539128 21 H 6.311797 4.752018 4.495660 4.331800 5.245229 22 H 5.173539 3.424341 2.933556 3.489740 4.455968 23 H 6.296925 4.385365 3.894128 3.965926 4.685946 24 P 4.533452 4.785937 5.701244 3.568266 3.300748 25 O 5.951821 5.976210 6.792752 4.601334 4.225623 26 O 3.753963 4.392454 5.386380 3.469063 2.954360 27 O 4.862115 5.481725 6.442604 4.492473 4.521215 28 H 5.724434 6.167006 7.069269 5.071643 5.135121 29 H 3.503718 3.724888 3.752996 5.015613 5.022198 11 12 13 14 15 11 O 0.000000 12 C 1.411865 0.000000 13 H 2.025903 1.086099 0.000000 14 C 2.403589 1.521870 2.140143 0.000000 15 C 2.327967 2.371539 2.839192 3.714209 0.000000 16 H 3.273948 3.342022 3.875017 4.546347 1.078763 17 C 2.347183 1.533385 2.156363 2.570446 1.522829 18 H 2.849180 2.168151 3.026921 2.654433 2.151317 19 H 3.256834 2.196938 2.389939 3.107539 2.177809 20 O 2.882664 2.860736 2.785637 4.366949 1.405758 21 H 3.347566 2.161199 2.483988 1.089288 4.240287 22 H 2.683988 2.158633 3.046163 1.084741 3.876430 23 H 2.658983 2.158049 2.476814 1.086587 4.456279 24 P 4.327208 4.490937 4.360734 5.998861 2.661154 25 O 5.039934 5.129434 4.690951 6.629365 3.817739 26 O 4.561996 5.082304 5.188715 6.541575 2.987655 27 O 5.298364 5.125310 5.063668 6.521921 3.180612 28 H 5.680935 5.336661 5.106698 6.704874 3.709091 29 H 5.900554 6.910530 7.825475 7.274210 6.033546 16 17 18 19 20 16 H 0.000000 17 C 2.193485 0.000000 18 H 2.441291 1.086318 0.000000 19 H 2.686417 1.083228 1.766717 0.000000 20 O 2.061329 2.357902 3.292614 2.531935 0.000000 21 H 5.011849 2.857394 2.906030 3.032531 4.791707 22 H 4.532651 2.812369 2.485350 3.519608 4.815054 23 H 5.370418 3.502683 3.689061 4.042011 4.957610 24 P 2.735024 3.861547 4.670867 3.901881 1.636929 25 O 4.113541 4.782097 5.734389 4.658214 2.488521 26 O 2.773073 4.460276 5.064498 4.779056 2.532454 27 O 2.863800 4.075093 4.715351 3.802909 2.516127 28 H 3.569960 4.360547 5.087170 3.879462 2.843293 29 H 5.767835 6.735284 6.314681 7.741174 7.117036 21 22 23 24 25 21 H 0.000000 22 H 1.765009 0.000000 23 H 1.762145 1.758494 0.000000 24 P 6.414115 6.397197 6.567440 0.000000 25 O 6.973208 7.213668 7.054991 1.475658 0.000000 26 O 7.123907 6.746607 7.086863 1.469956 2.610029 27 O 6.728085 6.855605 7.275319 1.643769 2.502328 28 H 6.791620 7.154504 7.435835 2.118958 2.435655 29 H 8.188046 6.564306 7.606938 7.586154 8.840834 26 27 28 29 26 O 0.000000 27 O 2.513451 0.000000 28 H 3.276278 0.947074 0.000000 29 H 6.574963 8.244393 9.107589 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.711845 -0.689309 0.200979 2 8 0 -3.988833 -1.153847 1.575692 3 8 0 -4.316494 0.536694 -0.379913 4 8 0 -4.107854 -1.926027 -0.818507 5 6 0 -1.898011 -0.619185 -0.044145 6 1 0 -1.327302 -1.482997 0.265476 7 6 0 -1.286404 0.431097 -0.567431 8 1 0 -1.889861 1.267852 -0.876647 9 6 0 0.202154 0.612664 -0.817206 10 1 0 0.528150 0.019984 -1.660160 11 8 0 0.455965 1.980967 -1.126724 12 6 0 0.971700 2.672229 -0.008897 13 1 0 1.993062 2.959429 -0.241159 14 6 0 0.148094 3.924899 0.252981 15 6 0 1.103356 0.338268 0.390462 16 1 0 0.784141 -0.520988 0.959242 17 6 0 0.970688 1.657037 1.140300 18 1 0 0.025103 1.686394 1.674242 19 1 0 1.779105 1.812105 1.844430 20 8 0 2.446183 0.220758 -0.008490 21 1 0 0.556519 4.483876 1.093982 22 1 0 -0.881375 3.666934 0.477279 23 1 0 0.152610 4.573320 -0.618914 24 15 0 3.180394 -1.235534 -0.148798 25 8 0 4.523169 -0.964275 -0.697377 26 8 0 2.225805 -2.202917 -0.708888 27 8 0 3.389566 -1.608943 1.438271 28 1 0 4.206497 -1.210897 1.704978 29 1 0 -4.244392 -1.543700 -1.674355 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5554436 0.1962059 0.1608776 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1597.0998383393 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 2.02D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999999 0.000712 -0.000112 0.000812 Ang= 0.12 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57099844 A.U. after 11 cycles NFock= 11 Conv=0.51D-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 15 0.002190033 -0.000506403 0.001278910 2 8 0.000096673 -0.000184706 0.000098708 3 8 -0.000029443 -0.000084458 0.000034232 4 8 -0.001307970 0.001605294 0.000271717 5 6 -0.000839681 -0.000282189 -0.001132195 6 1 -0.000004275 -0.000227338 -0.000252174 7 6 0.000369186 0.000272744 0.000489184 8 1 -0.000152069 0.000031777 0.000228567 9 6 -0.000817484 0.000922695 -0.000937958 10 1 0.000168660 -0.000079077 0.000252592 11 8 0.000864671 -0.001926889 -0.000824278 12 6 -0.000917263 0.001022540 -0.000023877 13 1 0.000516364 0.000354003 -0.000076118 14 6 0.000017427 -0.000360583 0.000371104 15 6 0.000463731 0.000702559 0.000918242 16 1 0.000121109 -0.000063189 -0.000265174 17 6 -0.000004026 -0.000998227 -0.000551562 18 1 0.000035527 0.000171157 0.000248829 19 1 -0.000021393 0.000230046 0.000353892 20 8 -0.000470225 0.000234214 -0.000172392 21 1 -0.000121318 0.000006637 0.000040182 22 1 -0.000149841 0.000176241 -0.000042545 23 1 -0.000000962 0.000049003 -0.000050402 24 15 -0.001141322 0.000075789 0.000294602 25 8 0.000200325 -0.000329645 0.000027676 26 8 0.000248003 -0.000388219 0.000369948 27 8 0.000829725 -0.000048090 -0.000790408 28 1 -0.000090664 0.000077346 0.000030224 29 1 -0.000053497 -0.000453031 -0.000189529 ------------------------------------------------------------------- Cartesian Forces: Max 0.002190033 RMS 0.000597649 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001751322 RMS 0.000334644 Search for a local minimum. Step number 11 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 9 10 11 DE= -2.31D-04 DEPred=-1.89D-04 R= 1.22D+00 TightC=F SS= 1.41D+00 RLast= 2.19D-01 DXNew= 2.5586D+00 6.5703D-01 Trust test= 1.22D+00 RLast= 2.19D-01 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00231 0.00250 0.00356 0.00977 0.01903 Eigenvalues --- 0.02383 0.02402 0.03077 0.03182 0.03343 Eigenvalues --- 0.03610 0.04188 0.04404 0.04429 0.04858 Eigenvalues --- 0.05156 0.05255 0.05485 0.05530 0.05543 Eigenvalues --- 0.05838 0.06535 0.06581 0.07628 0.07966 Eigenvalues --- 0.08252 0.08328 0.11686 0.13617 0.14580 Eigenvalues --- 0.15397 0.15655 0.15881 0.15973 0.15998 Eigenvalues --- 0.16003 0.16047 0.16121 0.16139 0.16717 Eigenvalues --- 0.17821 0.18960 0.19659 0.20360 0.20814 Eigenvalues --- 0.21444 0.21875 0.22671 0.23821 0.24637 Eigenvalues --- 0.25508 0.25920 0.28430 0.28764 0.29401 Eigenvalues --- 0.29961 0.31789 0.33497 0.33557 0.33624 Eigenvalues --- 0.33761 0.34068 0.34394 0.34658 0.34846 Eigenvalues --- 0.36171 0.37376 0.39113 0.42672 0.44986 Eigenvalues --- 0.45884 0.48154 0.54279 0.54927 0.59422 Eigenvalues --- 0.61773 0.63775 0.66702 0.71732 0.99061 Eigenvalues --- 1.01162 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 11 10 9 8 7 6 RFO step: Lambda=-2.25621275D-04. DidBck=F Rises=F RFO-DIIS coefs: 2.73923 -1.57911 -0.77173 0.42662 0.84156 RFO-DIIS coefs: -0.65657 Iteration 1 RMS(Cart)= 0.04535460 RMS(Int)= 0.00076734 Iteration 2 RMS(Cart)= 0.00121403 RMS(Int)= 0.00026157 Iteration 3 RMS(Cart)= 0.00000071 RMS(Int)= 0.00026157 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79165 -0.00007 0.00047 0.00019 0.00066 2.79231 R2 2.80681 0.00009 0.00162 -0.00158 0.00004 2.80685 R3 3.11985 0.00175 -0.00115 0.00437 0.00322 3.12307 R4 3.46134 -0.00174 -0.01776 0.00536 -0.01240 3.44895 R5 1.79005 0.00015 -0.00197 0.00271 0.00074 1.79079 R6 2.04208 -0.00021 -0.00069 -0.00020 -0.00089 2.04119 R7 2.50057 -0.00017 -0.00137 0.00067 -0.00070 2.49988 R8 2.03524 0.00001 -0.00008 0.00046 0.00038 2.03562 R9 2.87286 -0.00088 0.00167 -0.00279 -0.00112 2.87174 R10 2.04240 -0.00003 0.00099 -0.00107 -0.00007 2.04233 R11 2.69408 0.00062 0.00242 0.00163 0.00428 2.69836 R12 2.89438 0.00008 0.00137 -0.00004 0.00172 2.89610 R13 2.66804 -0.00080 0.00109 -0.00376 -0.00291 2.66513 R14 2.05243 0.00018 0.00173 -0.00128 0.00045 2.05288 R15 2.87592 0.00002 0.00006 -0.00115 -0.00109 2.87483 R16 2.89768 -0.00033 -0.00675 0.00124 -0.00588 2.89180 R17 2.05846 -0.00012 -0.00064 0.00038 -0.00026 2.05819 R18 2.04986 0.00006 -0.00014 0.00050 0.00035 2.05022 R19 2.05335 -0.00006 0.00007 -0.00016 -0.00009 2.05326 R20 2.03857 0.00018 -0.00042 0.00133 0.00091 2.03947 R21 2.87773 0.00020 -0.00625 0.00548 -0.00078 2.87695 R22 2.65650 -0.00048 0.00139 -0.00209 -0.00070 2.65580 R23 2.05284 -0.00030 0.00102 -0.00168 -0.00066 2.05218 R24 2.04700 0.00012 0.00062 -0.00014 0.00048 2.04748 R25 3.09335 -0.00062 -0.00453 0.00039 -0.00414 3.08921 R26 2.78859 -0.00001 0.00040 0.00019 0.00058 2.78917 R27 2.77781 -0.00049 -0.00042 -0.00035 -0.00078 2.77704 R28 3.10627 0.00099 -0.00075 0.00232 0.00156 3.10784 R29 1.78971 -0.00005 -0.00212 0.00255 0.00043 1.79014 A1 2.14978 -0.00009 -0.00357 0.00180 -0.00176 2.14801 A2 1.86932 0.00033 0.00860 -0.00417 0.00442 1.87374 A3 1.89890 -0.00011 -0.00882 0.00462 -0.00414 1.89475 A4 1.85372 0.00013 -0.00507 0.00001 -0.00510 1.84862 A5 1.89567 0.00023 0.00974 -0.00382 0.00587 1.90153 A6 1.75541 -0.00061 -0.00004 0.00136 0.00130 1.75672 A7 1.86518 -0.00041 -0.00810 -0.00041 -0.00851 1.85667 A8 2.04209 -0.00010 -0.00722 0.00101 -0.00620 2.03589 A9 2.14244 -0.00026 0.00281 -0.00072 0.00210 2.14454 A10 2.09864 0.00037 0.00437 -0.00032 0.00406 2.10270 A11 2.06147 -0.00013 0.00248 -0.00202 0.00046 2.06194 A12 2.22981 0.00060 0.00864 -0.00078 0.00786 2.23766 A13 1.99179 -0.00047 -0.01104 0.00279 -0.00825 1.98354 A14 1.93691 0.00013 0.00066 0.00225 0.00279 1.93970 A15 1.90141 -0.00037 -0.00572 -0.00463 -0.01031 1.89110 A16 2.00996 0.00034 -0.00051 0.00375 0.00330 2.01326 A17 1.87894 0.00014 0.00172 0.00099 0.00281 1.88175 A18 1.91692 -0.00014 0.00152 -0.00314 -0.00159 1.91533 A19 1.81149 -0.00014 0.00250 0.00047 0.00278 1.81428 A20 1.94234 -0.00006 0.00252 0.00026 0.00110 1.94345 A21 1.87934 0.00024 0.00595 0.00238 0.00851 1.88785 A22 1.91937 -0.00060 -0.00537 -0.00193 -0.00675 1.91262 A23 1.84313 0.00031 -0.00429 0.00202 -0.00341 1.83972 A24 1.90505 0.00010 0.00220 0.00042 0.00235 1.90740 A25 1.91342 -0.00042 0.00117 -0.00727 -0.00602 1.90740 A26 1.99943 0.00036 0.00070 0.00434 0.00547 2.00490 A27 1.93085 0.00009 0.00176 0.00013 0.00189 1.93274 A28 1.93204 -0.00032 -0.00223 -0.00181 -0.00404 1.92800 A29 1.92929 0.00001 0.00140 -0.00092 0.00049 1.92978 A30 1.89466 0.00014 0.00046 0.00140 0.00185 1.89651 A31 1.88781 -0.00001 -0.00161 0.00160 -0.00000 1.88781 A32 1.88786 0.00009 0.00017 -0.00030 -0.00012 1.88774 A33 1.96526 0.00000 0.00096 -0.00032 0.00081 1.96608 A34 1.75365 -0.00012 0.00120 -0.00046 0.00033 1.75398 A35 1.93185 0.00013 0.00232 -0.00034 0.00201 1.93385 A36 1.98711 -0.00003 0.00022 0.00040 0.00080 1.98791 A37 1.94519 0.00004 -0.00035 -0.00023 -0.00073 1.94446 A38 1.87062 -0.00005 -0.00438 0.00098 -0.00322 1.86740 A39 1.77650 -0.00006 -0.00501 -0.00146 -0.00800 1.76850 A40 1.92949 0.00009 0.00091 0.00023 0.00132 1.93081 A41 1.97349 -0.00004 -0.00120 0.00118 0.00056 1.97405 A42 1.91905 0.00005 0.00228 -0.00036 0.00205 1.92110 A43 1.95954 -0.00012 -0.00200 0.00111 -0.00031 1.95923 A44 1.90313 0.00008 0.00468 -0.00071 0.00376 1.90689 A45 2.12603 0.00005 0.01239 -0.00840 0.00399 2.13002 A46 1.85091 -0.00034 -0.00012 -0.00124 -0.00138 1.84953 A47 1.90378 -0.00017 0.00511 -0.00601 -0.00093 1.90285 A48 1.74814 -0.00046 0.00192 -0.00399 -0.00207 1.74607 A49 2.17761 0.00020 -0.00511 0.00602 0.00088 2.17849 A50 1.85969 0.00034 -0.00294 0.00328 0.00035 1.86004 A51 1.87656 0.00029 0.00254 -0.00006 0.00246 1.87902 A52 1.86104 -0.00009 -0.00228 -0.00071 -0.00299 1.85805 D1 2.77945 -0.00008 -0.07196 -0.00093 -0.07283 2.70662 D2 0.45315 -0.00029 -0.06983 -0.00032 -0.07011 0.38304 D3 -1.52093 -0.00034 -0.07854 0.00330 -0.07535 -1.59628 D4 0.83632 -0.00000 -0.00455 -0.00309 -0.00762 0.82870 D5 -2.29908 0.00018 -0.00503 0.00269 -0.00232 -2.30140 D6 -3.06568 -0.00003 -0.00856 0.00002 -0.00855 -3.07423 D7 0.08211 0.00016 -0.00904 0.00580 -0.00325 0.07885 D8 -1.12387 -0.00007 -0.01103 -0.00065 -0.01168 -1.13555 D9 2.02392 0.00012 -0.01151 0.00514 -0.00638 2.01754 D10 -0.02079 -0.00009 0.00115 -0.00314 -0.00199 -0.02278 D11 3.13808 -0.00016 -0.00592 -0.00256 -0.00850 3.12959 D12 3.12719 0.00010 0.00071 0.00282 0.00355 3.13073 D13 0.00288 0.00003 -0.00636 0.00340 -0.00296 -0.00009 D14 1.28711 0.00027 0.04699 0.00388 0.05085 1.33796 D15 -2.93032 0.00029 0.04582 0.00356 0.04956 -2.88076 D16 -0.90428 0.00007 0.04490 0.00324 0.04796 -0.85633 D17 -1.83778 0.00020 0.04004 0.00449 0.04452 -1.79326 D18 0.22798 0.00022 0.03886 0.00416 0.04323 0.27120 D19 2.25401 -0.00000 0.03795 0.00384 0.04163 2.29563 D20 1.76284 0.00026 0.06038 0.00170 0.06209 1.82493 D21 -2.41851 0.00030 0.05880 0.00234 0.06120 -2.35731 D22 -0.38687 0.00013 0.06248 -0.00058 0.06195 -0.32491 D23 0.70776 0.00017 -0.01446 0.00269 -0.01183 0.69593 D24 -1.41274 0.00028 -0.01588 0.00264 -0.01336 -1.42610 D25 2.89806 0.00034 -0.01260 0.00188 -0.01061 2.88744 D26 -1.49393 -0.00016 -0.01613 -0.00068 -0.01690 -1.51082 D27 2.66876 -0.00005 -0.01754 -0.00073 -0.01842 2.65033 D28 0.69637 0.00001 -0.01426 -0.00148 -0.01568 0.68069 D29 2.78447 -0.00019 -0.02005 -0.00068 -0.02086 2.76361 D30 0.66397 -0.00008 -0.02147 -0.00073 -0.02238 0.64158 D31 -1.30842 -0.00002 -0.01819 -0.00148 -0.01964 -1.32806 D32 1.98513 -0.00046 -0.07376 -0.00577 -0.07968 1.90544 D33 -2.22412 -0.00054 -0.07068 -0.00494 -0.07566 -2.29978 D34 -0.05817 -0.00025 -0.07590 0.00047 -0.07507 -0.13324 D35 -3.10955 0.00006 -0.01023 0.00225 -0.00834 -3.11789 D36 1.07260 0.00003 -0.01047 0.00159 -0.00925 1.06335 D37 -1.01889 0.00011 -0.01018 0.00374 -0.00680 -1.02569 D38 -1.05146 0.00006 -0.00484 0.00426 -0.00057 -1.05203 D39 3.13069 0.00003 -0.00509 0.00360 -0.00148 3.12922 D40 1.03920 0.00012 -0.00479 0.00575 0.00097 1.04017 D41 1.10136 -0.00015 -0.00122 -0.00185 -0.00272 1.09864 D42 -0.99967 -0.00018 -0.00146 -0.00251 -0.00363 -1.00330 D43 -3.09116 -0.00009 -0.00117 -0.00036 -0.00118 -3.09234 D44 0.47845 0.00025 0.05820 -0.00130 0.05661 0.53506 D45 -1.55970 0.00019 0.05824 -0.00021 0.05789 -1.50181 D46 2.58412 0.00005 0.05225 -0.00030 0.05160 2.63572 D47 -1.54167 0.00001 0.05296 -0.00164 0.05139 -1.49028 D48 2.70336 -0.00005 0.05300 -0.00056 0.05267 2.75603 D49 0.56400 -0.00020 0.04701 -0.00064 0.04637 0.61037 D50 2.59319 -0.00006 0.04877 0.00032 0.04904 2.64223 D51 0.55504 -0.00012 0.04881 0.00141 0.05032 0.60536 D52 -1.58432 -0.00027 0.04282 0.00132 0.04402 -1.54030 D53 -0.68362 -0.00011 -0.02216 0.00166 -0.02041 -0.70404 D54 1.36209 -0.00002 -0.02314 0.00102 -0.02216 1.33993 D55 -2.79902 0.00004 -0.01692 0.00061 -0.01612 -2.81514 D56 -2.78856 -0.00002 -0.02414 0.00214 -0.02197 -2.81052 D57 -0.74284 0.00007 -0.02512 0.00150 -0.02372 -0.76656 D58 1.37923 0.00012 -0.01890 0.00108 -0.01767 1.36156 D59 1.33520 -0.00003 -0.02066 0.00144 -0.01919 1.31601 D60 -2.90227 0.00006 -0.02163 0.00080 -0.02094 -2.92321 D61 -0.78020 0.00012 -0.01542 0.00038 -0.01490 -0.79510 D62 -1.78565 0.00013 0.00898 0.00006 0.00886 -1.77679 D63 0.41590 0.00027 0.01178 -0.00078 0.01090 0.42680 D64 2.60082 0.00023 0.00865 0.00026 0.00919 2.61001 D65 3.05527 0.00042 0.02445 0.00349 0.02797 3.08324 D66 0.67000 0.00057 0.02737 0.00129 0.02865 0.69866 D67 -1.29663 0.00052 0.02202 0.00518 0.02716 -1.26947 D68 -1.50539 -0.00000 -0.02715 -0.00163 -0.02879 -1.53418 D69 0.41901 -0.00045 -0.02748 -0.00351 -0.03098 0.38803 D70 2.79024 0.00028 -0.03442 0.00670 -0.02771 2.76253 Item Value Threshold Converged? Maximum Force 0.001751 0.000450 NO RMS Force 0.000335 0.000300 NO Maximum Displacement 0.142814 0.001800 NO RMS Displacement 0.045065 0.001200 NO Predicted change in Energy=-6.902246D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.596859 2.028967 -0.766435 2 8 0 2.467834 2.373383 -1.909311 3 8 0 1.147858 0.642738 -0.478432 4 8 0 0.219592 2.931620 -0.906567 5 6 0 2.317169 2.745689 0.749634 6 1 0 2.627211 3.779048 0.697014 7 6 0 2.475420 2.053744 1.865956 8 1 0 2.143642 1.029002 1.879859 9 6 0 3.069707 2.520000 3.184587 10 1 0 2.368558 3.132935 3.732978 11 8 0 3.358831 1.369413 3.979248 12 6 0 4.741937 1.094502 4.000642 13 1 0 5.118582 1.329109 4.992221 14 6 0 4.973108 -0.381059 3.711473 15 6 0 4.416590 3.243366 3.078015 16 1 0 4.464858 3.908998 2.229859 17 6 0 5.363097 2.054668 2.983795 18 1 0 5.328741 1.629138 1.985261 19 1 0 6.385078 2.323942 3.222501 20 8 0 4.718513 3.914968 4.275056 21 1 0 6.035301 -0.619234 3.747042 22 1 0 4.592121 -0.639323 2.729019 23 1 0 4.462784 -0.998441 4.445624 24 15 0 4.516606 5.528916 4.438704 25 8 0 4.857545 5.840755 5.840487 26 8 0 3.269583 5.925918 3.770210 27 8 0 5.769074 6.069235 3.519968 28 1 0 6.520971 6.119328 4.094012 29 1 0 -0.459171 2.456674 -0.446418 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.477628 0.000000 3 O 1.485322 2.604782 0.000000 4 O 1.652660 2.524226 2.506782 0.000000 5 C 1.825103 2.689107 2.701451 2.679067 0.000000 6 H 2.503215 2.965505 3.661502 3.014338 1.080151 7 C 2.775242 3.788782 3.041302 3.680531 1.322878 8 H 2.881280 4.033642 2.588884 3.884082 2.062652 9 C 4.245112 5.131427 4.542612 5.003012 2.558563 10 H 4.696699 5.694049 5.042535 5.117026 3.008810 11 O 5.105003 6.039615 5.028654 6.013858 3.661912 12 C 5.787034 6.460234 5.760521 6.921510 4.378923 13 H 6.786343 7.466465 6.794541 7.833507 5.277703 14 C 6.104010 6.742148 5.765067 7.409187 5.059946 15 C 4.919903 5.424752 5.486000 5.795591 3.174367 16 H 4.553867 4.845507 5.385702 5.367934 2.856032 17 C 5.315019 5.694436 5.634607 6.508426 3.840138 18 H 4.653883 4.889414 4.952025 6.013529 3.441369 19 H 6.239043 6.456216 6.629617 7.445246 4.779207 20 O 6.222407 6.759321 6.786215 6.932278 4.422925 21 H 6.861794 7.326453 6.582880 8.251492 5.842231 22 H 5.320674 5.924787 4.877948 6.714770 4.533396 23 H 6.674150 7.465535 6.158614 7.880102 5.681770 24 P 6.918673 7.379169 7.707232 7.333634 5.117920 25 O 8.295373 8.820020 8.983869 8.688867 6.476861 26 O 6.210103 6.746871 7.103849 6.335654 4.488300 27 O 7.218337 7.350821 8.172497 7.761159 5.535012 28 H 8.037529 8.154747 8.931440 8.653014 6.343363 29 H 2.124289 3.273278 2.423619 0.947645 3.036797 6 7 8 9 10 6 H 0.000000 7 C 2.089531 0.000000 8 H 3.032443 1.077203 0.000000 9 C 2.822946 1.519658 2.187005 0.000000 10 H 3.114713 2.159130 2.812680 1.080755 0.000000 11 O 4.136987 2.390549 2.449489 1.427911 2.037474 12 C 4.753190 3.257933 3.354572 2.344002 3.140029 13 H 5.536960 4.157515 4.315916 2.980545 3.521663 14 C 5.647715 3.946219 3.653623 3.509514 4.374048 15 C 3.026219 2.579230 3.391943 1.532550 2.153045 16 H 2.396549 2.744495 3.715498 2.187982 2.693717 17 C 3.960799 3.096489 3.554653 2.348721 3.269740 18 H 3.685099 2.887206 3.242858 2.708367 3.752146 19 H 4.755732 4.147124 4.633501 3.321379 4.128860 20 O 4.146613 3.781452 4.549256 2.419425 2.535293 21 H 6.345284 4.832809 4.620397 4.354985 5.246329 22 H 5.245181 3.532409 3.082115 3.536469 4.492449 23 H 6.343958 4.463197 4.009002 3.988772 4.686354 24 P 4.542257 4.781452 5.694547 3.566496 3.294371 25 O 5.973303 5.984385 6.797412 4.612763 4.238978 26 O 3.803450 4.387552 5.368516 3.461673 2.934959 27 O 4.804720 5.450511 6.421656 4.471703 4.497859 28 H 5.672555 6.153022 7.069293 5.068869 5.127516 29 H 3.547092 3.757826 3.771531 5.063713 5.091241 11 12 13 14 15 11 O 0.000000 12 C 1.410325 0.000000 13 H 2.030878 1.086338 0.000000 14 C 2.396194 1.521295 2.141530 0.000000 15 C 2.332975 2.361082 2.796668 3.721214 0.000000 16 H 3.276149 3.336740 3.835861 4.567066 1.079243 17 C 2.340424 1.530274 2.149418 2.571842 1.522418 18 H 2.814957 2.166088 3.029190 2.673420 2.152176 19 H 3.262202 2.194752 2.392825 3.090272 2.177421 20 O 2.901050 2.833881 2.713125 4.340310 1.405387 21 H 3.342473 2.161942 2.487344 1.089149 4.241167 22 H 2.668164 2.155370 3.045319 1.084927 3.902292 23 H 2.653856 2.157856 2.479179 1.086540 4.457063 24 P 4.342005 4.461692 4.278683 5.972023 2.661807 25 O 5.069838 5.091691 4.598113 6.577007 3.817345 26 O 4.562171 5.056037 5.103211 6.533254 2.998474 27 O 5.301748 5.102355 5.005942 6.502040 3.163869 28 H 5.707363 5.331281 5.071456 6.693074 3.705648 29 H 5.945233 6.977348 7.871564 7.406109 6.067418 16 17 18 19 20 16 H 0.000000 17 C 2.194036 0.000000 18 H 2.450283 1.085967 0.000000 19 H 2.680483 1.083482 1.769001 0.000000 20 O 2.060875 2.354477 3.292500 2.533116 0.000000 21 H 5.027228 2.860796 2.942495 3.009945 4.750970 22 H 4.577400 2.813699 2.498340 3.498451 4.811214 23 H 5.384475 3.502710 3.702355 4.028581 4.923015 24 P 2.739672 3.860532 4.678377 3.904125 1.634739 25 O 4.113699 4.769773 5.729093 4.642756 2.485671 26 O 2.805232 4.470775 5.088074 4.793801 2.529464 27 O 2.834075 4.070509 4.718440 3.807252 2.512906 28 H 3.547989 4.369750 5.101965 3.896531 2.853214 29 H 5.789453 6.769548 6.332282 7.766745 7.157328 21 22 23 24 25 21 H 0.000000 22 H 1.766223 0.000000 23 H 1.761994 1.758529 0.000000 24 P 6.370602 6.401242 6.527582 0.000000 25 O 6.892102 7.193268 6.991143 1.475967 0.000000 26 O 7.105544 6.777580 7.058800 1.469545 2.610541 27 O 6.697615 6.856790 7.246742 1.644596 2.503577 28 H 6.764944 7.159821 7.417708 2.117753 2.427914 29 H 8.320125 6.721916 7.752131 7.619806 8.901947 26 27 28 29 26 O 0.000000 27 O 2.516071 0.000000 28 H 3.273191 0.947304 0.000000 29 H 6.612051 8.220332 9.096863 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.718186 -0.667204 0.200147 2 8 0 -4.002329 -1.087089 1.588075 3 8 0 -4.325270 0.536766 -0.422818 4 8 0 -4.107422 -1.933746 -0.787602 5 6 0 -1.908602 -0.604461 -0.028922 6 1 0 -1.345924 -1.456782 0.322744 7 6 0 -1.290180 0.425766 -0.582267 8 1 0 -1.888989 1.251319 -0.929049 9 6 0 0.199482 0.611794 -0.818194 10 1 0 0.535591 0.030154 -1.664808 11 8 0 0.439831 1.988556 -1.110920 12 6 0 1.015765 2.654781 -0.009349 13 1 0 2.050921 2.877869 -0.251866 14 6 0 0.268594 3.954727 0.247975 15 6 0 1.095861 0.329509 0.392396 16 1 0 0.769717 -0.528590 0.959902 17 6 0 0.972117 1.648434 1.142649 18 1 0 0.016733 1.696579 1.656700 19 1 0 1.771546 1.788838 1.860377 20 8 0 2.439601 0.204580 0.000134 21 1 0 0.713554 4.496860 1.081251 22 1 0 -0.772115 3.754541 0.480174 23 1 0 0.302750 4.594757 -0.629387 24 15 0 3.166741 -1.251562 -0.152480 25 8 0 4.527401 -0.975506 -0.653355 26 8 0 2.222740 -2.196550 -0.765195 27 8 0 3.324411 -1.660905 1.432535 28 1 0 4.148630 -1.295583 1.723376 29 1 0 -4.300663 -1.560634 -1.636999 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5534564 0.1964318 0.1608935 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1597.2206446753 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 2.00D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 0.999991 0.000516 0.000377 0.004136 Ang= 0.48 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57119637 A.U. after 11 cycles NFock= 11 Conv=0.86D-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 15 0.000969694 -0.000898832 -0.000970873 2 8 -0.000038276 -0.000008208 0.000036071 3 8 -0.000223881 -0.000396924 0.000245578 4 8 -0.001056276 0.000628368 0.000168067 5 6 0.000006961 0.000732632 0.000574363 6 1 0.000078283 -0.000005147 0.000164253 7 6 0.000459266 -0.000331533 0.000905133 8 1 -0.000236732 0.000236809 -0.000107444 9 6 -0.000385882 0.000574719 -0.001106787 10 1 -0.000053279 -0.000072126 0.000122100 11 8 0.000434991 -0.000505936 0.000233851 12 6 -0.000308346 -0.000352782 0.000027915 13 1 0.000149682 0.000076622 -0.000039152 14 6 0.000036582 -0.000185766 -0.000011190 15 6 0.000070498 0.000846559 0.000038975 16 1 -0.000018841 -0.000253933 -0.000035637 17 6 0.000455248 -0.000352056 -0.000095858 18 1 0.000087122 0.000091809 0.000033576 19 1 -0.000051546 0.000112276 0.000143076 20 8 -0.000297941 -0.000985070 0.000099385 21 1 -0.000109269 0.000028502 0.000009095 22 1 0.000002477 -0.000033510 -0.000020212 23 1 -0.000039995 0.000087339 -0.000028360 24 15 -0.000559576 0.000111240 0.000300266 25 8 0.000091895 0.000125254 -0.000357024 26 8 -0.000018709 0.000196446 0.000186682 27 8 0.000531226 0.000474436 -0.000024536 28 1 -0.000174289 -0.000064262 -0.000263763 29 1 0.000198917 0.000123073 -0.000227551 ------------------------------------------------------------------- Cartesian Forces: Max 0.001106787 RMS 0.000383759 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001129955 RMS 0.000219905 Search for a local minimum. Step number 12 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 10 11 12 DE= -1.98D-04 DEPred=-6.90D-05 R= 2.87D+00 TightC=F SS= 1.41D+00 RLast= 3.08D-01 DXNew= 2.5586D+00 9.2351D-01 Trust test= 2.87D+00 RLast= 3.08D-01 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00231 0.00263 0.00303 0.00991 0.01680 Eigenvalues --- 0.02376 0.02403 0.03042 0.03089 0.03175 Eigenvalues --- 0.03594 0.04168 0.04373 0.04405 0.04773 Eigenvalues --- 0.05160 0.05232 0.05491 0.05531 0.05555 Eigenvalues --- 0.05837 0.06470 0.06572 0.07639 0.07994 Eigenvalues --- 0.08226 0.08324 0.11676 0.13730 0.14558 Eigenvalues --- 0.15314 0.15507 0.15904 0.15993 0.16002 Eigenvalues --- 0.16010 0.16029 0.16113 0.16189 0.16689 Eigenvalues --- 0.17854 0.19019 0.19784 0.20345 0.20878 Eigenvalues --- 0.21426 0.21789 0.22987 0.23934 0.24628 Eigenvalues --- 0.25473 0.25979 0.28396 0.28700 0.29089 Eigenvalues --- 0.29691 0.31758 0.33496 0.33556 0.33621 Eigenvalues --- 0.33751 0.34050 0.34332 0.34591 0.34807 Eigenvalues --- 0.36183 0.37365 0.39137 0.43052 0.45863 Eigenvalues --- 0.46550 0.48162 0.54094 0.55301 0.59405 Eigenvalues --- 0.61848 0.62047 0.67390 0.71180 0.99012 Eigenvalues --- 1.01245 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 12 11 10 9 8 7 6 RFO step: Lambda=-5.53431801D-05. DidBck=T Rises=F RFO-DIIS coefs: 0.62279 1.42576 -0.88884 -0.56540 0.16040 RFO-DIIS coefs: 0.81611 -0.57082 Iteration 1 RMS(Cart)= 0.01448958 RMS(Int)= 0.00023362 Iteration 2 RMS(Cart)= 0.00012578 RMS(Int)= 0.00021556 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00021556 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79231 -0.00005 0.00014 0.00002 0.00017 2.79248 R2 2.80685 0.00049 0.00155 -0.00119 0.00036 2.80721 R3 3.12307 0.00113 -0.00195 0.00371 0.00176 3.12483 R4 3.44895 0.00090 -0.00669 0.00429 -0.00239 3.44655 R5 1.79079 -0.00031 -0.00197 0.00183 -0.00014 1.79065 R6 2.04119 0.00001 -0.00011 -0.00012 -0.00023 2.04096 R7 2.49988 0.00011 -0.00093 0.00104 0.00011 2.49999 R8 2.03562 -0.00015 -0.00030 0.00018 -0.00012 2.03550 R9 2.87174 -0.00077 0.00088 -0.00174 -0.00086 2.87088 R10 2.04233 0.00006 0.00074 -0.00076 -0.00002 2.04231 R11 2.69836 0.00061 0.00017 0.00163 0.00196 2.70032 R12 2.89610 -0.00004 0.00040 -0.00016 0.00054 2.89664 R13 2.66513 -0.00009 0.00149 -0.00205 -0.00076 2.66437 R14 2.05288 0.00003 0.00102 -0.00077 0.00025 2.05313 R15 2.87483 0.00009 0.00113 -0.00140 -0.00027 2.87456 R16 2.89180 0.00029 -0.00221 0.00148 -0.00101 2.89079 R17 2.05819 -0.00011 -0.00033 0.00007 -0.00026 2.05793 R18 2.05022 0.00003 -0.00038 0.00053 0.00015 2.05037 R19 2.05326 -0.00005 0.00019 -0.00035 -0.00016 2.05311 R20 2.03947 -0.00013 -0.00066 0.00061 -0.00004 2.03943 R21 2.87695 0.00055 -0.00366 0.00434 0.00068 2.87763 R22 2.65580 -0.00021 0.00141 -0.00163 -0.00021 2.65558 R23 2.05218 -0.00007 0.00098 -0.00122 -0.00024 2.05194 R24 2.04748 0.00001 0.00035 -0.00022 0.00013 2.04762 R25 3.08921 0.00083 -0.00132 0.00124 -0.00008 3.08913 R26 2.78917 -0.00029 -0.00010 0.00012 0.00002 2.78919 R27 2.77704 -0.00002 -0.00001 -0.00013 -0.00014 2.77690 R28 3.10784 0.00057 -0.00113 0.00190 0.00077 3.10860 R29 1.79014 -0.00030 -0.00183 0.00158 -0.00025 1.78990 A1 2.14801 0.00010 -0.00196 0.00162 -0.00033 2.14768 A2 1.87374 -0.00002 0.00350 -0.00192 0.00157 1.87531 A3 1.89475 0.00009 -0.00384 0.00269 -0.00110 1.89366 A4 1.84862 0.00010 -0.00112 0.00073 -0.00042 1.84820 A5 1.90153 -0.00009 0.00521 -0.00450 0.00066 1.90219 A6 1.75672 -0.00024 -0.00173 0.00140 -0.00034 1.75637 A7 1.85667 0.00002 -0.00214 0.00053 -0.00161 1.85506 A8 2.03589 0.00030 -0.00166 0.00077 -0.00087 2.03502 A9 2.14454 -0.00023 0.00046 -0.00029 0.00018 2.14472 A10 2.10270 -0.00007 0.00118 -0.00053 0.00067 2.10336 A11 2.06194 -0.00009 0.00160 -0.00186 -0.00026 2.06168 A12 2.23766 -0.00021 0.00220 -0.00070 0.00150 2.23917 A13 1.98354 0.00030 -0.00377 0.00254 -0.00123 1.98231 A14 1.93970 -0.00002 -0.00039 0.00094 0.00044 1.94014 A15 1.89110 -0.00009 -0.00089 -0.00132 -0.00216 1.88894 A16 2.01326 0.00015 -0.00219 0.00310 0.00097 2.01423 A17 1.88175 0.00009 0.00079 0.00011 0.00099 1.88274 A18 1.91533 -0.00007 0.00197 -0.00267 -0.00065 1.91468 A19 1.81428 -0.00005 0.00097 -0.00039 0.00039 1.81467 A20 1.94345 0.00010 0.00090 0.00099 0.00046 1.94391 A21 1.88785 0.00002 -0.00057 0.00322 0.00281 1.89066 A22 1.91262 -0.00008 -0.00050 -0.00184 -0.00189 1.91073 A23 1.83972 -0.00001 -0.00061 0.00070 -0.00084 1.83888 A24 1.90740 0.00003 0.00030 0.00053 0.00061 1.90801 A25 1.90740 -0.00015 0.00274 -0.00495 -0.00215 1.90525 A26 2.00490 0.00018 -0.00125 0.00246 0.00156 2.00645 A27 1.93274 0.00001 0.00089 -0.00045 0.00044 1.93318 A28 1.92800 0.00006 -0.00056 0.00000 -0.00056 1.92744 A29 1.92978 -0.00012 0.00112 -0.00163 -0.00051 1.92927 A30 1.89651 -0.00001 -0.00042 0.00093 0.00050 1.89702 A31 1.88781 0.00005 -0.00120 0.00138 0.00018 1.88799 A32 1.88774 0.00001 0.00011 -0.00016 -0.00003 1.88771 A33 1.96608 -0.00004 -0.00031 -0.00009 -0.00026 1.96582 A34 1.75398 0.00000 0.00121 -0.00026 0.00061 1.75459 A35 1.93385 -0.00004 0.00062 0.00037 0.00102 1.93487 A36 1.98791 -0.00000 -0.00113 0.00100 0.00003 1.98793 A37 1.94446 0.00002 0.00085 -0.00111 -0.00038 1.94408 A38 1.86740 0.00006 -0.00129 0.00023 -0.00092 1.86648 A39 1.76850 0.00003 0.00013 -0.00040 -0.00153 1.76697 A40 1.93081 0.00001 -0.00003 0.00073 0.00084 1.93165 A41 1.97405 0.00001 -0.00117 0.00059 -0.00014 1.97391 A42 1.92110 -0.00009 0.00195 -0.00194 0.00012 1.92122 A43 1.95923 0.00000 -0.00239 0.00143 -0.00051 1.95872 A44 1.90689 0.00003 0.00166 -0.00045 0.00107 1.90796 A45 2.13002 -0.00030 0.00668 -0.00546 0.00122 2.13124 A46 1.84953 0.00005 0.00056 -0.00074 -0.00020 1.84933 A47 1.90285 0.00026 0.00469 -0.00386 0.00082 1.90367 A48 1.74607 0.00039 0.00123 -0.00060 0.00062 1.74669 A49 2.17849 -0.00012 -0.00364 0.00302 -0.00064 2.17785 A50 1.86004 -0.00027 -0.00262 0.00222 -0.00038 1.85966 A51 1.87902 -0.00019 0.00075 -0.00068 0.00005 1.87907 A52 1.85805 0.00015 0.00011 -0.00025 -0.00014 1.85792 D1 2.70662 0.00002 -0.01393 0.00052 -0.01336 2.69325 D2 0.38304 -0.00016 -0.01309 -0.00070 -0.01374 0.36930 D3 -1.59628 0.00000 -0.01751 0.00342 -0.01418 -1.61046 D4 0.82870 -0.00004 0.00003 -0.00055 -0.00051 0.82819 D5 -2.30140 0.00011 -0.00188 0.00403 0.00216 -2.29924 D6 -3.07423 0.00009 -0.00143 0.00011 -0.00133 -3.07556 D7 0.07885 0.00023 -0.00334 0.00469 0.00135 0.08020 D8 -1.13555 0.00006 -0.00176 0.00004 -0.00172 -1.13727 D9 2.01754 0.00021 -0.00367 0.00462 0.00095 2.01849 D10 -0.02278 -0.00008 0.00173 -0.00318 -0.00144 -0.02422 D11 3.12959 -0.00007 -0.00100 -0.00183 -0.00285 3.12673 D12 3.13073 0.00007 -0.00023 0.00156 0.00134 3.13208 D13 -0.00009 0.00007 -0.00296 0.00291 -0.00007 -0.00015 D14 1.33796 0.00014 0.00945 0.00474 0.01416 1.35212 D15 -2.88076 0.00018 0.00953 0.00461 0.01429 -2.86646 D16 -0.85633 0.00014 0.00898 0.00507 0.01388 -0.84245 D17 -1.79326 0.00014 0.00675 0.00605 0.01279 -1.78047 D18 0.27120 0.00018 0.00683 0.00592 0.01293 0.28413 D19 2.29563 0.00014 0.00628 0.00638 0.01252 2.30815 D20 1.82493 0.00002 0.01505 -0.00023 0.01482 1.83975 D21 -2.35731 -0.00001 0.01443 0.00022 0.01469 -2.34262 D22 -0.32491 -0.00007 0.01751 -0.00296 0.01457 -0.31034 D23 0.69593 -0.00002 -0.00622 0.00179 -0.00447 0.69146 D24 -1.42610 -0.00000 -0.00546 0.00081 -0.00475 -1.43085 D25 2.88744 -0.00006 -0.00502 0.00055 -0.00438 2.88306 D26 -1.51082 -0.00005 -0.00553 0.00032 -0.00529 -1.51611 D27 2.65033 -0.00002 -0.00477 -0.00066 -0.00557 2.64477 D28 0.68069 -0.00008 -0.00433 -0.00093 -0.00520 0.67549 D29 2.76361 -0.00009 -0.00781 0.00157 -0.00634 2.75727 D30 0.64158 -0.00007 -0.00705 0.00059 -0.00662 0.63496 D31 -1.32806 -0.00012 -0.00661 0.00033 -0.00625 -1.33431 D32 1.90544 -0.00009 -0.01727 -0.00065 -0.01803 1.88741 D33 -2.29978 -0.00009 -0.01754 0.00084 -0.01673 -2.31651 D34 -0.13324 0.00008 -0.01994 0.00318 -0.01645 -0.14969 D35 -3.11789 0.00004 -0.00127 0.00095 -0.00061 -3.11850 D36 1.06335 0.00002 -0.00094 0.00007 -0.00116 1.06219 D37 -1.02569 0.00004 -0.00146 0.00131 -0.00043 -1.02612 D38 -1.05203 0.00004 -0.00206 0.00409 0.00204 -1.04999 D39 3.12922 0.00001 -0.00173 0.00321 0.00149 3.13071 D40 1.04017 0.00003 -0.00225 0.00446 0.00222 1.04239 D41 1.09864 -0.00001 0.00077 -0.00024 0.00081 1.09945 D42 -1.00330 -0.00003 0.00111 -0.00112 0.00026 -1.00304 D43 -3.09234 -0.00001 0.00059 0.00012 0.00099 -3.09135 D44 0.53506 -0.00014 0.01440 -0.00288 0.01129 0.54635 D45 -1.50181 -0.00006 0.01247 -0.00075 0.01160 -1.49021 D46 2.63572 -0.00011 0.01109 -0.00114 0.00968 2.64540 D47 -1.49028 -0.00008 0.01405 -0.00463 0.00949 -1.48079 D48 2.75603 -0.00000 0.01212 -0.00249 0.00981 2.76584 D49 0.61037 -0.00005 0.01074 -0.00288 0.00788 0.61826 D50 2.64223 -0.00014 0.01252 -0.00322 0.00925 2.65148 D51 0.60536 -0.00006 0.01059 -0.00109 0.00957 0.61493 D52 -1.54030 -0.00011 0.00921 -0.00148 0.00764 -1.53265 D53 -0.70404 0.00006 -0.00434 0.00131 -0.00295 -0.70699 D54 1.33993 0.00005 -0.00383 0.00114 -0.00272 1.33720 D55 -2.81514 0.00003 -0.00194 0.00016 -0.00163 -2.81677 D56 -2.81052 0.00010 -0.00418 0.00110 -0.00304 -2.81356 D57 -0.76656 0.00010 -0.00368 0.00093 -0.00281 -0.76937 D58 1.36156 0.00007 -0.00178 -0.00004 -0.00172 1.35984 D59 1.31601 0.00004 -0.00361 0.00169 -0.00189 1.31412 D60 -2.92321 0.00003 -0.00310 0.00152 -0.00167 -2.92488 D61 -0.79510 0.00001 -0.00121 0.00054 -0.00057 -0.79567 D62 -1.77679 0.00022 0.00463 0.00386 0.00833 -1.76846 D63 0.42680 0.00016 0.00537 0.00318 0.00847 0.43527 D64 2.61001 0.00020 0.00351 0.00388 0.00762 2.61763 D65 3.08324 0.00045 0.00697 0.00577 0.01277 3.09601 D66 0.69866 0.00037 0.00773 0.00541 0.01314 0.71179 D67 -1.26947 0.00032 0.00483 0.00773 0.01253 -1.25694 D68 -1.53418 0.00013 -0.00391 -0.00019 -0.00410 -1.53829 D69 0.38803 0.00026 -0.00365 -0.00056 -0.00420 0.38383 D70 2.76253 -0.00025 -0.00983 0.00454 -0.00529 2.75724 Item Value Threshold Converged? Maximum Force 0.001130 0.000450 NO RMS Force 0.000220 0.000300 YES Maximum Displacement 0.055860 0.001800 NO RMS Displacement 0.014471 0.001200 NO Predicted change in Energy=-1.879989D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.595846 2.035433 -0.767041 2 8 0 2.474723 2.366732 -1.907857 3 8 0 1.130060 0.654915 -0.477294 4 8 0 0.228331 2.953774 -0.911664 5 6 0 2.320644 2.747330 0.747639 6 1 0 2.643437 3.776475 0.691736 7 6 0 2.470109 2.056258 1.865783 8 1 0 2.126517 1.035512 1.881603 9 6 0 3.069676 2.516114 3.183748 10 1 0 2.371494 3.127278 3.737845 11 8 0 3.360174 1.359165 3.970500 12 6 0 4.744355 1.092720 4.001040 13 1 0 5.117493 1.336994 4.991757 14 6 0 4.982908 -0.383712 3.723294 15 6 0 4.417223 3.238775 3.076648 16 1 0 4.465006 3.904961 2.228928 17 6 0 5.363825 2.049802 2.981066 18 1 0 5.326822 1.623139 1.983248 19 1 0 6.386160 2.319764 3.217786 20 8 0 4.721821 3.909532 4.273352 21 1 0 6.045693 -0.617588 3.764955 22 1 0 4.606510 -0.650048 2.741138 23 1 0 4.471730 -0.997562 4.459687 24 15 0 4.511763 5.521714 4.443572 25 8 0 4.876385 5.833316 5.839445 26 8 0 3.249903 5.912154 3.799672 27 8 0 5.743565 6.073381 3.503169 28 1 0 6.504314 6.131355 4.064452 29 1 0 -0.458486 2.480316 -0.462210 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.477717 0.000000 3 O 1.485510 2.604793 0.000000 4 O 1.653591 2.526519 2.507299 0.000000 5 C 1.823838 2.687053 2.701139 2.678372 0.000000 6 H 2.501341 2.962048 3.660749 3.013381 1.080029 7 C 2.774262 3.786393 3.041300 3.680396 1.322938 8 H 2.880411 4.031551 2.588856 3.883965 2.062494 9 C 4.244051 5.128424 4.541960 5.003718 2.559129 10 H 4.699761 5.697634 5.041938 5.122615 3.014677 11 O 5.100440 6.029453 5.025162 6.015542 3.659844 12 C 5.791063 6.456733 5.771506 6.927673 4.381407 13 H 6.786278 7.459844 6.802601 7.833790 5.274841 14 C 6.122708 6.750243 5.793800 7.431530 5.074011 15 C 4.917535 5.420245 5.487466 5.790913 3.171978 16 H 4.550060 4.841525 5.385936 5.358871 2.851775 17 C 5.314714 5.687611 5.641873 6.507213 3.838710 18 H 4.653414 4.881403 4.960296 6.012130 3.439134 19 H 6.237531 6.447771 6.637162 7.441316 4.776281 20 O 6.220091 6.755518 6.786893 6.927432 4.421201 21 H 6.883215 7.337492 6.616599 8.274484 5.856864 22 H 5.346328 5.937897 4.913953 6.745290 4.554272 23 H 6.692417 7.473428 6.186374 7.903854 5.694795 24 P 6.914276 7.378624 7.703024 7.322613 5.114502 25 O 8.296476 8.820764 8.986211 8.687557 6.479322 26 O 6.214478 6.763638 7.101037 6.330766 4.493833 27 O 7.193281 7.328286 8.154035 7.722727 5.511076 28 H 8.013299 8.128866 8.916359 8.616653 6.321074 29 H 2.123940 3.272081 2.419875 0.947570 3.042794 6 7 8 9 10 6 H 0.000000 7 C 2.089874 0.000000 8 H 3.032469 1.077139 0.000000 9 C 2.824945 1.519204 2.185707 0.000000 10 H 3.126370 2.159034 2.807336 1.080742 0.000000 11 O 4.136109 2.389141 2.447479 1.428950 2.039079 12 C 4.750567 3.264954 3.368733 2.344902 3.136745 13 H 5.528309 4.159051 4.325493 2.975361 3.509690 14 C 5.654257 3.964588 3.683068 3.515758 4.375700 15 C 3.020470 2.579883 3.395561 1.532838 2.152817 16 H 2.386961 2.743937 3.717917 2.188041 2.695258 17 C 3.952587 3.101209 3.566198 2.349818 3.269208 18 H 3.674971 2.891747 3.255394 2.708009 3.751668 19 H 4.744566 4.151241 4.645347 3.322465 4.127964 20 O 4.143109 3.781696 4.551490 2.420420 2.534310 21 H 6.350418 4.851918 4.651848 4.360569 5.246380 22 H 5.258118 3.557323 3.119339 3.547160 4.500768 23 H 6.350712 4.478911 4.034840 3.992454 4.684694 24 P 4.540129 4.777314 5.690263 3.563762 3.288179 25 O 5.976249 5.987180 6.800383 4.617440 4.244272 26 O 3.819448 4.383599 5.359349 3.456144 2.920780 27 O 4.773963 5.434503 6.410354 4.461598 4.483911 28 H 5.641546 6.141284 7.063820 5.063827 5.119702 29 H 3.554371 3.765109 3.776660 5.073680 5.105664 11 12 13 14 15 11 O 0.000000 12 C 1.409923 0.000000 13 H 2.032640 1.086472 0.000000 14 C 2.394158 1.521151 2.141948 0.000000 15 C 2.334365 2.359464 2.788331 3.722978 0.000000 16 H 3.276401 3.335733 3.827978 4.571002 1.079220 17 C 2.338927 1.529738 2.147476 2.572545 1.522777 18 H 2.808301 2.166125 3.029327 2.678336 2.152481 19 H 3.262809 2.194231 2.392139 3.087627 2.177433 20 O 2.906918 2.830034 2.700114 4.336205 1.405274 21 H 3.340930 2.162029 2.487366 1.089011 4.242313 22 H 2.664886 2.154900 3.045444 1.085007 3.907857 23 H 2.651230 2.157304 2.479972 1.086458 4.456716 24 P 4.344740 4.457120 4.263718 5.967816 2.662560 25 O 5.080343 5.086297 4.581879 6.568172 3.817790 26 O 4.557527 5.049839 5.083409 6.530472 3.005387 27 O 5.303092 5.104241 5.004120 6.505466 3.158495 28 H 5.715614 5.337539 5.076324 6.699042 3.701178 29 H 5.957186 6.993967 7.883177 7.438404 6.072176 16 17 18 19 20 16 H 0.000000 17 C 2.194357 0.000000 18 H 2.451489 1.085841 0.000000 19 H 2.679836 1.083551 1.769624 0.000000 20 O 2.060496 2.353884 3.292142 2.532115 0.000000 21 H 5.031043 2.862585 2.951629 3.007216 4.744040 22 H 4.585901 2.814300 2.502124 3.494872 4.811522 23 H 5.386192 3.502653 3.705672 4.026415 4.916995 24 P 2.742394 3.862526 4.681496 3.907480 1.634695 25 O 4.113833 4.766855 5.727018 4.636547 2.485454 26 O 2.823568 4.478453 5.099866 4.804161 2.530101 27 O 2.821426 4.075043 4.721068 3.818901 2.513838 28 H 3.533377 4.374187 5.103127 3.906280 2.856119 29 H 5.789008 6.777965 6.339149 7.772858 7.162666 21 22 23 24 25 21 H 0.000000 22 H 1.766495 0.000000 23 H 1.761928 1.758506 0.000000 24 P 6.364313 6.402960 6.519419 0.000000 25 O 6.876405 7.190713 6.980571 1.475976 0.000000 26 O 7.103180 6.784052 7.047883 1.469470 2.610045 27 O 6.702900 6.861346 7.247808 1.645002 2.503561 28 H 6.771134 7.165211 7.423548 2.117936 2.426846 29 H 8.352860 6.761272 7.786381 7.617098 8.911471 26 27 28 29 26 O 0.000000 27 O 2.516399 0.000000 28 H 3.272514 0.947173 0.000000 29 H 6.610091 8.191446 9.072009 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.717900 -0.662614 0.199401 2 8 0 -4.004677 -1.064763 1.592126 3 8 0 -4.325341 0.532646 -0.440214 4 8 0 -4.101899 -1.942111 -0.775174 5 6 0 -1.908881 -0.600373 -0.024115 6 1 0 -1.347071 -1.447303 0.341318 7 6 0 -1.289500 0.424360 -0.586657 8 1 0 -1.888188 1.244674 -0.945664 9 6 0 0.200227 0.612714 -0.817352 10 1 0 0.540307 0.033114 -1.663765 11 8 0 0.436862 1.991903 -1.106729 12 6 0 1.024970 2.653707 -0.009447 13 1 0 2.062794 2.863337 -0.253162 14 6 0 0.293343 3.962904 0.244771 15 6 0 1.094382 0.330237 0.395201 16 1 0 0.765545 -0.526537 0.963111 17 6 0 0.972844 1.650487 1.144213 18 1 0 0.015931 1.702705 1.654745 19 1 0 1.771063 1.788435 1.863866 20 8 0 2.438762 0.202171 0.006569 21 1 0 0.745981 4.503226 1.074902 22 1 0 -0.749162 3.774884 0.479445 23 1 0 0.332935 4.598805 -0.635259 24 15 0 3.161885 -1.255088 -0.153801 25 8 0 4.530847 -0.978461 -0.631218 26 8 0 2.224034 -2.188807 -0.792509 27 8 0 3.295403 -1.685838 1.428178 28 1 0 4.118582 -1.331079 1.734216 29 1 0 -4.304723 -1.576869 -1.625674 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5522356 0.1967090 0.1609924 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1597.2423372352 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 2.00D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 0.000100 0.000297 0.000931 Ang= 0.11 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57121886 A.U. after 10 cycles NFock= 10 Conv=0.85D-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 15 0.000576756 -0.000987431 -0.001102194 2 8 -0.000223192 0.000042188 -0.000026199 3 8 -0.000293171 -0.000178077 0.000113246 4 8 -0.000584001 0.000266835 -0.000049222 5 6 0.000301542 0.000797402 0.001044172 6 1 0.000051102 0.000059012 0.000218980 7 6 0.000433656 -0.000357305 0.000725955 8 1 -0.000268305 0.000212668 -0.000132544 9 6 -0.000051442 0.000339648 -0.000873626 10 1 -0.000083184 -0.000128088 0.000140599 11 8 0.000222842 0.000029226 0.000412673 12 6 -0.000172848 -0.000489331 -0.000135255 13 1 -0.000072370 -0.000037296 -0.000012161 14 6 0.000020193 -0.000104612 -0.000098347 15 6 -0.000007841 0.000682367 -0.000065233 16 1 0.000022921 -0.000222930 -0.000079559 17 6 0.000381313 -0.000019653 -0.000008935 18 1 0.000098915 0.000005435 -0.000022052 19 1 -0.000061980 0.000078715 0.000050532 20 8 -0.000194823 -0.000864258 0.000136609 21 1 -0.000035300 0.000002087 -0.000001792 22 1 0.000043511 -0.000043439 0.000016138 23 1 -0.000046977 0.000036887 -0.000003029 24 15 -0.000355413 0.000397349 0.000288827 25 8 0.000087149 0.000059017 -0.000298383 26 8 -0.000072836 0.000087003 0.000066392 27 8 0.000219875 0.000284648 -0.000002588 28 1 -0.000064584 -0.000084056 -0.000170684 29 1 0.000128492 0.000135991 -0.000132320 ------------------------------------------------------------------- Cartesian Forces: Max 0.001102194 RMS 0.000332944 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001432093 RMS 0.000201568 Search for a local minimum. Step number 13 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 10 11 12 13 DE= -2.25D-05 DEPred=-1.88D-05 R= 1.20D+00 TightC=F SS= 1.41D+00 RLast= 7.21D-02 DXNew= 2.5586D+00 2.1622D-01 Trust test= 1.20D+00 RLast= 7.21D-02 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00229 0.00242 0.00309 0.00979 0.01228 Eigenvalues --- 0.02392 0.02403 0.02932 0.03082 0.03178 Eigenvalues --- 0.03715 0.04177 0.04314 0.04405 0.04736 Eigenvalues --- 0.05181 0.05214 0.05489 0.05536 0.05556 Eigenvalues --- 0.05863 0.06455 0.06574 0.07649 0.08004 Eigenvalues --- 0.08194 0.08320 0.11672 0.13859 0.14560 Eigenvalues --- 0.15437 0.15611 0.15910 0.15986 0.16000 Eigenvalues --- 0.16004 0.16065 0.16111 0.16186 0.16862 Eigenvalues --- 0.18136 0.19096 0.19810 0.20347 0.20887 Eigenvalues --- 0.21505 0.21762 0.22998 0.24001 0.24651 Eigenvalues --- 0.25677 0.26474 0.28429 0.28603 0.29393 Eigenvalues --- 0.29716 0.32035 0.33500 0.33565 0.33614 Eigenvalues --- 0.33745 0.34053 0.34283 0.34583 0.34847 Eigenvalues --- 0.36186 0.37387 0.39165 0.43319 0.45393 Eigenvalues --- 0.45880 0.48283 0.54103 0.55216 0.59390 Eigenvalues --- 0.61834 0.62868 0.67040 0.71870 0.98998 Eigenvalues --- 1.01228 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 13 12 11 10 9 8 7 6 RFO step: Lambda=-5.83940818D-05. DidBck=F Rises=F RFO-DIIS coefs: 2.44924 -2.00000 1.00537 -0.26913 -0.41813 RFO-DIIS coefs: 0.08738 0.47104 -0.32578 Iteration 1 RMS(Cart)= 0.02503004 RMS(Int)= 0.00034693 Iteration 2 RMS(Cart)= 0.00044002 RMS(Int)= 0.00005302 Iteration 3 RMS(Cart)= 0.00000009 RMS(Int)= 0.00005302 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79248 -0.00010 -0.00008 0.00003 -0.00005 2.79243 R2 2.80721 0.00028 0.00135 -0.00115 0.00020 2.80741 R3 3.12483 0.00062 -0.00000 0.00274 0.00274 3.12758 R4 3.44655 0.00143 -0.00232 0.00196 -0.00036 3.44619 R5 1.79065 -0.00022 -0.00171 0.00172 0.00001 1.79066 R6 2.04096 0.00006 0.00001 -0.00024 -0.00023 2.04073 R7 2.49999 0.00002 -0.00029 0.00050 0.00021 2.50020 R8 2.03550 -0.00012 -0.00047 0.00023 -0.00024 2.03526 R9 2.87088 -0.00062 -0.00035 -0.00148 -0.00183 2.86905 R10 2.04231 0.00005 0.00052 -0.00062 -0.00010 2.04221 R11 2.70032 0.00027 0.00098 0.00064 0.00171 2.70203 R12 2.89664 -0.00011 -0.00006 0.00031 0.00036 2.89700 R13 2.66437 -0.00002 0.00067 -0.00174 -0.00111 2.66326 R14 2.05313 -0.00004 0.00076 -0.00053 0.00023 2.05336 R15 2.87456 0.00012 0.00073 -0.00077 -0.00005 2.87451 R16 2.89079 0.00037 -0.00030 0.00055 0.00015 2.89094 R17 2.05793 -0.00003 -0.00045 0.00028 -0.00017 2.05777 R18 2.05037 -0.00002 -0.00016 0.00017 0.00001 2.05038 R19 2.05311 -0.00000 -0.00003 -0.00011 -0.00014 2.05297 R20 2.03943 -0.00007 -0.00079 0.00086 0.00008 2.03951 R21 2.87763 0.00037 -0.00090 0.00195 0.00101 2.87864 R22 2.65558 -0.00012 0.00080 -0.00115 -0.00035 2.65523 R23 2.05194 0.00001 0.00058 -0.00077 -0.00019 2.05175 R24 2.04762 -0.00003 0.00012 -0.00004 0.00008 2.04770 R25 3.08913 0.00075 0.00051 0.00019 0.00070 3.08983 R26 2.78919 -0.00025 -0.00023 0.00012 -0.00010 2.78909 R27 2.77690 0.00006 0.00007 -0.00020 -0.00014 2.77676 R28 3.10860 0.00028 -0.00001 0.00110 0.00109 3.10969 R29 1.78990 -0.00016 -0.00163 0.00151 -0.00011 1.78979 A1 2.14768 0.00008 -0.00059 0.00035 -0.00023 2.14746 A2 1.87531 -0.00028 0.00210 -0.00199 0.00010 1.87541 A3 1.89366 0.00023 -0.00207 0.00218 0.00015 1.89380 A4 1.84820 -0.00008 -0.00014 -0.00093 -0.00109 1.84712 A5 1.90219 0.00000 0.00219 -0.00120 0.00097 1.90316 A6 1.75637 0.00002 -0.00168 0.00178 0.00009 1.75646 A7 1.85506 0.00008 -0.00065 -0.00045 -0.00110 1.85396 A8 2.03502 0.00032 0.00028 -0.00022 0.00006 2.03508 A9 2.14472 -0.00018 -0.00037 -0.00012 -0.00048 2.14423 A10 2.10336 -0.00014 0.00006 0.00029 0.00035 2.10371 A11 2.06168 -0.00006 0.00041 -0.00134 -0.00093 2.06074 A12 2.23917 -0.00033 0.00037 0.00062 0.00100 2.24016 A13 1.98231 0.00039 -0.00077 0.00071 -0.00006 1.98225 A14 1.94014 -0.00000 -0.00053 0.00153 0.00098 1.94112 A15 1.88894 -0.00010 0.00020 -0.00265 -0.00251 1.88643 A16 2.01423 0.00007 -0.00094 0.00244 0.00144 2.01567 A17 1.88274 0.00002 0.00065 -0.00049 0.00015 1.88289 A18 1.91468 -0.00005 0.00075 -0.00135 -0.00059 1.91409 A19 1.81467 0.00007 0.00003 0.00020 0.00036 1.81503 A20 1.94391 0.00006 0.00036 0.00032 0.00057 1.94448 A21 1.89066 -0.00010 -0.00019 0.00136 0.00119 1.89185 A22 1.91073 0.00008 -0.00036 -0.00092 -0.00120 1.90953 A23 1.83888 -0.00005 -0.00033 0.00088 0.00036 1.83924 A24 1.90801 0.00000 0.00029 -0.00014 0.00009 1.90810 A25 1.90525 -0.00001 0.00105 -0.00283 -0.00181 1.90344 A26 2.00645 0.00006 -0.00038 0.00172 0.00140 2.00786 A27 1.93318 0.00001 0.00038 0.00036 0.00074 1.93393 A28 1.92744 0.00009 0.00040 -0.00066 -0.00026 1.92718 A29 1.92927 -0.00008 -0.00011 -0.00099 -0.00109 1.92818 A30 1.89702 -0.00004 -0.00027 0.00061 0.00033 1.89735 A31 1.88799 0.00003 -0.00047 0.00081 0.00034 1.88833 A32 1.88771 -0.00001 0.00004 -0.00009 -0.00005 1.88766 A33 1.96582 0.00001 -0.00090 0.00066 -0.00025 1.96556 A34 1.75459 -0.00000 0.00099 0.00033 0.00126 1.75585 A35 1.93487 -0.00010 0.00033 0.00152 0.00189 1.93676 A36 1.98793 -0.00004 -0.00093 -0.00075 -0.00164 1.98630 A37 1.94408 0.00002 0.00083 -0.00115 -0.00036 1.94372 A38 1.86648 0.00012 -0.00032 -0.00046 -0.00073 1.86575 A39 1.76697 0.00002 0.00098 -0.00084 -0.00024 1.76673 A40 1.93165 -0.00004 0.00044 0.00029 0.00078 1.93243 A41 1.97391 0.00006 -0.00078 0.00049 -0.00020 1.97371 A42 1.92122 -0.00005 0.00050 -0.00056 -0.00009 1.92113 A43 1.95872 0.00001 -0.00195 0.00050 -0.00130 1.95742 A44 1.90796 0.00000 0.00092 0.00005 0.00096 1.90891 A45 2.13124 -0.00045 0.00334 -0.00316 0.00018 2.13142 A46 1.84933 0.00004 0.00002 -0.00040 -0.00038 1.84894 A47 1.90367 0.00013 0.00327 -0.00260 0.00065 1.90432 A48 1.74669 0.00014 0.00269 -0.00394 -0.00125 1.74544 A49 2.17785 -0.00002 -0.00328 0.00368 0.00039 2.17824 A50 1.85966 -0.00015 -0.00176 0.00202 0.00027 1.85993 A51 1.87907 -0.00012 0.00034 -0.00040 -0.00007 1.87900 A52 1.85792 0.00012 0.00080 -0.00076 0.00004 1.85796 D1 2.69325 -0.00011 -0.00639 -0.00576 -0.01211 2.68114 D2 0.36930 0.00003 -0.00697 -0.00419 -0.01114 0.35817 D3 -1.61046 0.00005 -0.00856 -0.00327 -0.01188 -1.62234 D4 0.82819 -0.00012 0.00059 -0.00002 0.00057 0.82876 D5 -2.29924 -0.00001 0.00130 0.00417 0.00547 -2.29376 D6 -3.07556 0.00019 -0.00008 0.00130 0.00121 -3.07435 D7 0.08020 0.00030 0.00063 0.00549 0.00611 0.08631 D8 -1.13727 0.00011 -0.00028 0.00066 0.00037 -1.13690 D9 2.01849 0.00022 0.00042 0.00484 0.00527 2.02376 D10 -0.02422 -0.00007 0.00001 -0.00380 -0.00378 -0.02800 D11 3.12673 -0.00005 -0.00108 -0.00328 -0.00436 3.12237 D12 3.13208 0.00005 0.00077 0.00055 0.00131 3.13339 D13 -0.00015 0.00007 -0.00032 0.00106 0.00073 0.00057 D14 1.35212 0.00014 0.00909 0.01416 0.02325 1.37538 D15 -2.86646 0.00011 0.00964 0.01282 0.02246 -2.84401 D16 -0.84245 0.00017 0.00933 0.01271 0.02204 -0.82041 D17 -1.78047 0.00016 0.00802 0.01467 0.02270 -1.75777 D18 0.28413 0.00013 0.00857 0.01333 0.02190 0.30603 D19 2.30815 0.00019 0.00827 0.01321 0.02148 2.32964 D20 1.83975 -0.00003 0.00379 0.00394 0.00776 1.84751 D21 -2.34262 -0.00008 0.00358 0.00399 0.00759 -2.33503 D22 -0.31034 -0.00010 0.00475 0.00233 0.00716 -0.30318 D23 0.69146 -0.00004 -0.00414 -0.00043 -0.00459 0.68686 D24 -1.43085 -0.00000 -0.00321 -0.00005 -0.00330 -1.43415 D25 2.88306 -0.00009 -0.00356 -0.00025 -0.00378 2.87929 D26 -1.51611 -0.00005 -0.00326 -0.00330 -0.00657 -1.52268 D27 2.64477 -0.00000 -0.00233 -0.00292 -0.00527 2.63949 D28 0.67549 -0.00010 -0.00268 -0.00312 -0.00575 0.66974 D29 2.75727 -0.00008 -0.00436 -0.00224 -0.00667 2.75060 D30 0.63496 -0.00004 -0.00343 -0.00186 -0.00537 0.62959 D31 -1.33431 -0.00013 -0.00378 -0.00206 -0.00585 -1.34017 D32 1.88741 0.00006 -0.00306 -0.00430 -0.00735 1.88006 D33 -2.31651 0.00005 -0.00305 -0.00420 -0.00723 -2.32374 D34 -0.14969 0.00014 -0.00404 -0.00213 -0.00601 -0.15570 D35 -3.11850 0.00006 0.00212 0.00063 0.00272 -3.11578 D36 1.06219 0.00004 0.00196 0.00006 0.00198 1.06418 D37 -1.02612 0.00005 0.00171 0.00124 0.00291 -1.02321 D38 -1.04999 -0.00001 0.00185 0.00166 0.00351 -1.04648 D39 3.13071 -0.00003 0.00169 0.00109 0.00278 3.13348 D40 1.04239 -0.00002 0.00144 0.00227 0.00370 1.04610 D41 1.09945 0.00002 0.00311 -0.00094 0.00221 1.10166 D42 -1.00304 0.00000 0.00295 -0.00151 0.00147 -1.00157 D43 -3.09135 0.00001 0.00270 -0.00034 0.00240 -3.08895 D44 0.54635 -0.00020 0.00161 0.00059 0.00214 0.54849 D45 -1.49021 -0.00014 0.00056 0.00155 0.00204 -1.48816 D46 2.64540 -0.00015 -0.00046 0.00091 0.00035 2.64575 D47 -1.48079 -0.00005 0.00149 -0.00010 0.00143 -1.47936 D48 2.76584 0.00001 0.00044 0.00086 0.00133 2.76717 D49 0.61826 -0.00000 -0.00058 0.00021 -0.00036 0.61790 D50 2.65148 -0.00009 0.00065 0.00107 0.00172 2.65320 D51 0.61493 -0.00003 -0.00040 0.00203 0.00163 0.61655 D52 -1.53265 -0.00004 -0.00142 0.00139 -0.00007 -1.53272 D53 -0.70699 0.00013 0.00095 0.00101 0.00187 -0.70512 D54 1.33720 0.00007 0.00196 0.00068 0.00260 1.33980 D55 -2.81677 0.00004 0.00219 0.00069 0.00287 -2.81391 D56 -2.81356 0.00014 0.00185 0.00038 0.00217 -2.81139 D57 -0.76937 0.00008 0.00286 0.00005 0.00290 -0.76647 D58 1.35984 0.00005 0.00308 0.00006 0.00317 1.36301 D59 1.31412 0.00006 0.00161 0.00267 0.00424 1.31835 D60 -2.92488 -0.00000 0.00263 0.00234 0.00497 -2.91991 D61 -0.79567 -0.00003 0.00285 0.00235 0.00523 -0.79044 D62 -1.76846 0.00021 0.00869 0.01065 0.01932 -1.74914 D63 0.43527 0.00016 0.00840 0.01180 0.02016 0.45544 D64 2.61763 0.00020 0.00751 0.00981 0.01738 2.63501 D65 3.09601 0.00039 0.00959 0.01482 0.02443 3.12044 D66 0.71179 0.00028 0.01139 0.01233 0.02371 0.73551 D67 -1.25694 0.00030 0.00873 0.01542 0.02414 -1.23280 D68 -1.53829 0.00010 -0.00041 -0.00131 -0.00173 -1.54001 D69 0.38383 0.00015 0.00010 -0.00264 -0.00254 0.38129 D70 2.75724 -0.00007 -0.00525 0.00337 -0.00189 2.75535 Item Value Threshold Converged? Maximum Force 0.001432 0.000450 NO RMS Force 0.000202 0.000300 YES Maximum Displacement 0.118097 0.001800 NO RMS Displacement 0.025101 0.001200 NO Predicted change in Energy=-2.748720D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.601760 2.036038 -0.762137 2 8 0 2.494096 2.337564 -1.900729 3 8 0 1.103238 0.668754 -0.463693 4 8 0 0.253919 2.982849 -0.923499 5 6 0 2.332872 2.746082 0.750146 6 1 0 2.677668 3.767515 0.686999 7 6 0 2.466068 2.059919 1.873486 8 1 0 2.101412 1.046741 1.894773 9 6 0 3.072343 2.514812 3.188984 10 1 0 2.378352 3.125087 3.749188 11 8 0 3.363478 1.352374 3.969023 12 6 0 4.747293 1.087251 4.000507 13 1 0 5.120894 1.332156 4.991025 14 6 0 4.985477 -0.389358 3.723525 15 6 0 4.421122 3.235237 3.079653 16 1 0 4.468716 3.900641 2.231257 17 6 0 5.367282 2.045418 2.981747 18 1 0 5.330138 1.620968 1.983100 19 1 0 6.389340 2.315488 3.219730 20 8 0 4.731046 3.906300 4.274599 21 1 0 6.047692 -0.624848 3.768204 22 1 0 4.611055 -0.655320 2.740504 23 1 0 4.471064 -1.001753 4.458767 24 15 0 4.500521 5.515155 4.453153 25 8 0 4.910696 5.832419 5.834980 26 8 0 3.210361 5.885532 3.855288 27 8 0 5.689142 6.085356 3.468278 28 1 0 6.468280 6.157154 4.001958 29 1 0 -0.447327 2.522470 -0.482815 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.477692 0.000000 3 O 1.485617 2.604705 0.000000 4 O 1.655042 2.527798 2.507549 0.000000 5 C 1.823647 2.687009 2.701980 2.679401 0.000000 6 H 2.501117 2.962227 3.661316 3.013961 1.079905 7 C 2.773825 3.784517 3.042211 3.683548 1.323047 8 H 2.878807 4.028183 2.588742 3.886438 2.061918 9 C 4.243018 5.125521 4.541735 5.007504 2.558952 10 H 4.705441 5.705712 5.040620 5.134924 3.023237 11 O 5.094598 6.015016 5.022449 6.022008 3.655919 12 C 5.785962 6.439314 5.777833 6.930334 4.375614 13 H 6.780755 7.443601 6.807027 7.835422 5.268521 14 C 6.119906 6.728694 5.807251 7.440043 5.070333 15 C 4.913881 5.415113 5.490946 5.783987 3.166490 16 H 4.544952 4.838971 5.388348 5.344094 2.844033 17 C 5.309982 5.672664 5.652285 6.502015 3.831269 18 H 4.648592 4.862177 4.975961 6.005916 3.430694 19 H 6.233320 6.433701 6.649978 7.433377 4.768562 20 O 6.217638 6.752744 6.789264 6.922258 4.418044 21 H 6.882631 7.317153 6.635508 8.282231 5.854206 22 H 5.344881 5.914382 4.932021 6.756169 4.552052 23 H 6.687220 7.450009 6.193824 7.913921 5.689640 24 P 6.906976 7.382048 7.694447 7.304423 5.106733 25 O 8.299609 8.825823 8.990742 8.688076 6.482760 26 O 6.223088 6.799474 7.092837 6.324787 4.502004 27 O 7.141434 7.285636 8.113599 7.645581 5.459262 28 H 7.960101 8.076207 8.879653 8.541348 6.269872 29 H 2.124476 3.270572 2.416792 0.947575 3.049541 6 7 8 9 10 6 H 0.000000 7 C 2.090074 0.000000 8 H 3.032062 1.077013 0.000000 9 C 2.825768 1.518234 2.184702 0.000000 10 H 3.143136 2.158827 2.799120 1.080689 0.000000 11 O 4.132182 2.386889 2.447190 1.429854 2.039929 12 C 4.737774 3.267153 3.381781 2.345625 3.134935 13 H 5.515884 4.158942 4.334226 2.973649 3.504041 14 C 5.641459 3.971023 3.704665 3.518525 4.375966 15 C 3.007947 2.580397 3.402133 1.533026 2.152515 16 H 2.368609 2.743512 3.723184 2.188063 2.697261 17 C 3.932622 3.105720 3.583961 2.351600 3.269305 18 H 3.650087 2.899585 3.280581 2.711227 3.754261 19 H 4.722247 4.155689 4.663856 3.323122 4.125990 20 O 4.136000 3.782142 4.555834 2.422002 2.534072 21 H 6.335908 4.860654 4.677293 4.364132 5.246563 22 H 5.245601 3.567241 3.148107 3.552253 4.504873 23 H 6.339434 4.480795 4.047919 3.991867 4.681213 24 P 4.534419 4.767845 5.680472 3.555260 3.272857 25 O 5.979294 5.991778 6.805881 4.624646 4.253580 26 O 3.848093 4.372280 5.337348 3.438715 2.885057 27 O 4.709234 5.397751 6.382427 4.435587 4.450105 28 H 5.573874 6.110273 7.044579 5.045787 5.097532 29 H 3.561488 3.775444 3.785073 5.086281 5.124203 11 12 13 14 15 11 O 0.000000 12 C 1.409335 0.000000 13 H 2.033079 1.086592 0.000000 14 C 2.392651 1.521126 2.142080 0.000000 15 C 2.335544 2.359704 2.786529 3.724347 0.000000 16 H 3.276438 3.335118 3.826065 4.571433 1.079260 17 C 2.338858 1.529818 2.146311 2.573741 1.523310 18 H 2.807808 2.166678 3.028995 2.681284 2.152812 19 H 3.262648 2.194196 2.390268 3.088824 2.177025 20 O 2.913101 2.832389 2.700271 4.338329 1.405089 21 H 3.339871 2.162471 2.486787 1.088922 4.245007 22 H 2.663934 2.154697 3.045462 1.085015 3.909927 23 H 2.647360 2.156442 2.480466 1.086383 4.456067 24 P 4.342349 4.457816 4.262822 5.969156 2.662862 25 O 5.093769 5.090050 4.583536 6.570719 3.817966 26 O 4.537168 5.040510 5.066879 6.522472 3.015230 27 O 5.297224 5.113844 5.023403 6.517839 3.143578 28 H 5.720733 5.354037 5.106301 6.718114 3.684983 29 H 5.975803 7.010286 7.898409 7.462399 6.074620 16 17 18 19 20 16 H 0.000000 17 C 2.193744 0.000000 18 H 2.449600 1.085740 0.000000 19 H 2.679288 1.083594 1.770175 0.000000 20 O 2.060120 2.353539 3.291295 2.528511 0.000000 21 H 5.033430 2.865622 2.957223 3.010502 4.745660 22 H 4.586543 2.814970 2.504442 3.495376 4.814168 23 H 5.384726 3.502863 3.707507 4.027293 4.918384 24 P 2.746723 3.867220 4.685522 3.914951 1.635065 25 O 4.112654 4.763485 5.722694 4.625442 2.485356 26 O 2.856697 4.490196 5.117132 4.822349 2.530941 27 O 2.791530 4.081839 4.718623 3.842390 2.513242 28 H 3.496496 4.377146 5.093931 3.921289 2.856336 29 H 5.782130 6.785311 6.346065 7.777641 7.166835 21 22 23 24 25 21 H 0.000000 22 H 1.766641 0.000000 23 H 1.762013 1.758420 0.000000 24 P 6.368872 6.404697 6.516978 0.000000 25 O 6.874635 7.194186 6.985209 1.475922 0.000000 26 O 7.102328 6.781403 7.027678 1.469398 2.610199 27 O 6.726466 6.865030 7.258919 1.645578 2.504242 28 H 6.799050 7.172890 7.446308 2.118447 2.427239 29 H 8.376278 6.787884 7.812167 7.602707 8.920690 26 27 28 29 26 O 0.000000 27 O 2.516756 0.000000 28 H 3.272510 0.947114 0.000000 29 H 6.596060 8.121672 9.008315 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.712959 -0.659710 0.197262 2 8 0 -4.007782 -1.026754 1.597951 3 8 0 -4.322026 0.515331 -0.477552 4 8 0 -4.086065 -1.966466 -0.747379 5 6 0 -1.902914 -0.596136 -0.015777 6 1 0 -1.340432 -1.431221 0.374661 7 6 0 -1.283615 0.419259 -0.595341 8 1 0 -1.883953 1.227608 -0.977600 9 6 0 0.206014 0.611980 -0.816473 10 1 0 0.554068 0.034120 -1.660762 11 8 0 0.436880 1.993311 -1.104752 12 6 0 1.023865 2.656541 -0.008485 13 1 0 2.062711 2.864555 -0.249756 14 6 0 0.292632 3.967023 0.240029 15 6 0 1.095139 0.333728 0.400984 16 1 0 0.763601 -0.521041 0.970418 17 6 0 0.970179 1.655776 1.147340 18 1 0 0.012364 1.707441 1.656019 19 1 0 1.767654 1.795330 1.867573 20 8 0 2.441768 0.204787 0.021196 21 1 0 0.744912 4.511416 1.067574 22 1 0 -0.750038 3.780086 0.474869 23 1 0 0.332773 4.598076 -0.643367 24 15 0 3.159374 -1.253712 -0.155616 25 8 0 4.543708 -0.974872 -0.584818 26 8 0 2.234873 -2.164291 -0.845019 27 8 0 3.242167 -1.724411 1.419032 28 1 0 4.058888 -1.385034 1.757874 29 1 0 -4.294772 -1.622115 -1.605145 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5512376 0.1972527 0.1613212 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1597.6210860339 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.99D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 0.000359 0.000839 0.000141 Ang= 0.11 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57126841 A.U. after 11 cycles NFock= 11 Conv=0.53D-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 15 -0.000455103 -0.000630583 -0.001161187 2 8 -0.000073555 0.000094964 -0.000012600 3 8 -0.000155794 -0.000054815 0.000136336 4 8 0.000026873 -0.000163945 -0.000048916 5 6 0.000560584 0.000531837 0.001046924 6 1 -0.000050283 0.000100235 0.000166607 7 6 0.000210350 -0.000114646 0.000171515 8 1 -0.000252572 0.000131718 -0.000045244 9 6 0.000306593 -0.000014485 -0.000328797 10 1 -0.000134421 -0.000163658 0.000071963 11 8 0.000055701 0.000458177 0.000489543 12 6 0.000134118 -0.000409020 -0.000115485 13 1 -0.000179384 -0.000126939 0.000038062 14 6 0.000000317 -0.000002419 -0.000154244 15 6 -0.000069867 0.000399705 -0.000177835 16 1 0.000071351 -0.000112378 -0.000039501 17 6 0.000033398 0.000155475 0.000064015 18 1 0.000109603 -0.000065566 -0.000049803 19 1 -0.000065109 -0.000012356 -0.000040379 20 8 -0.000155059 -0.000687504 0.000228614 21 1 0.000018894 0.000003524 -0.000007009 22 1 0.000050454 -0.000054797 0.000012137 23 1 -0.000020872 -0.000032113 0.000013202 24 15 0.000188467 0.000201239 -0.000156138 25 8 -0.000066066 0.000088953 -0.000243201 26 8 -0.000128127 0.000132718 0.000121943 27 8 -0.000112459 0.000289936 0.000230285 28 1 -0.000008217 -0.000108638 -0.000133258 29 1 0.000160187 0.000165380 -0.000077551 ------------------------------------------------------------------- Cartesian Forces: Max 0.001161187 RMS 0.000267165 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001393935 RMS 0.000169220 Search for a local minimum. Step number 14 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 11 12 13 14 DE= -4.96D-05 DEPred=-2.75D-05 R= 1.80D+00 TightC=F SS= 1.41D+00 RLast= 8.48D-02 DXNew= 2.5586D+00 2.5444D-01 Trust test= 1.80D+00 RLast= 8.48D-02 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00211 0.00232 0.00321 0.00546 0.01011 Eigenvalues --- 0.02394 0.02425 0.02997 0.03084 0.03179 Eigenvalues --- 0.03679 0.04157 0.04340 0.04422 0.04759 Eigenvalues --- 0.05170 0.05195 0.05487 0.05548 0.05558 Eigenvalues --- 0.05895 0.06485 0.06578 0.07647 0.07995 Eigenvalues --- 0.08243 0.08370 0.11794 0.13690 0.14585 Eigenvalues --- 0.15465 0.15672 0.15950 0.15989 0.16003 Eigenvalues --- 0.16020 0.16110 0.16142 0.16318 0.17063 Eigenvalues --- 0.18142 0.18993 0.19857 0.20463 0.20847 Eigenvalues --- 0.21507 0.21902 0.22995 0.23938 0.24654 Eigenvalues --- 0.25721 0.26010 0.28484 0.28673 0.29466 Eigenvalues --- 0.30086 0.32380 0.33498 0.33582 0.33617 Eigenvalues --- 0.33752 0.34063 0.34409 0.34609 0.34875 Eigenvalues --- 0.36174 0.37377 0.39135 0.42736 0.44639 Eigenvalues --- 0.45890 0.48283 0.54141 0.55125 0.59399 Eigenvalues --- 0.61820 0.65378 0.67217 0.73784 0.99000 Eigenvalues --- 1.01182 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 14 13 12 11 10 9 8 7 6 RFO step: Lambda=-1.08763471D-04. DidBck=F Rises=F RFO-DIIS coefs: 3.00000 -1.90374 -0.69013 0.99348 -0.27021 RFO-DIIS coefs: -0.30330 0.22287 -0.03628 -0.01267 Iteration 1 RMS(Cart)= 0.06340796 RMS(Int)= 0.00208655 Iteration 2 RMS(Cart)= 0.00292462 RMS(Int)= 0.00004943 Iteration 3 RMS(Cart)= 0.00000527 RMS(Int)= 0.00004937 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00004937 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79243 -0.00002 -0.00054 0.00059 0.00005 2.79248 R2 2.80741 0.00013 0.00020 -0.00006 0.00015 2.80756 R3 3.12758 -0.00014 0.00274 0.00057 0.00331 3.13088 R4 3.44619 0.00139 0.00120 0.00089 0.00209 3.44829 R5 1.79066 -0.00023 -0.00071 0.00023 -0.00048 1.79018 R6 2.04073 0.00007 0.00007 -0.00038 -0.00031 2.04041 R7 2.50020 -0.00002 0.00050 -0.00008 0.00042 2.50061 R8 2.03526 -0.00004 -0.00058 0.00039 -0.00018 2.03508 R9 2.86905 -0.00016 -0.00162 -0.00057 -0.00219 2.86685 R10 2.04221 0.00003 0.00017 -0.00052 -0.00035 2.04185 R11 2.70203 0.00004 0.00060 0.00075 0.00140 2.70344 R12 2.89700 -0.00017 -0.00073 0.00020 -0.00051 2.89649 R13 2.66326 0.00009 0.00029 -0.00130 -0.00099 2.66227 R14 2.05336 -0.00006 0.00053 -0.00040 0.00014 2.05350 R15 2.87451 0.00012 -0.00024 0.00066 0.00041 2.87492 R16 2.89094 0.00024 0.00223 -0.00093 0.00126 2.89220 R17 2.05777 0.00002 -0.00028 0.00030 0.00002 2.05778 R18 2.05038 -0.00001 -0.00010 0.00000 -0.00010 2.05029 R19 2.05297 0.00004 -0.00024 0.00024 0.00000 2.05297 R20 2.03951 -0.00004 -0.00051 0.00090 0.00039 2.03989 R21 2.87864 0.00015 0.00026 0.00105 0.00125 2.87989 R22 2.65523 -0.00006 0.00005 -0.00063 -0.00059 2.65465 R23 2.05175 0.00007 0.00060 -0.00074 -0.00014 2.05162 R24 2.04770 -0.00007 -0.00026 0.00003 -0.00023 2.04747 R25 3.08983 0.00059 0.00233 0.00016 0.00248 3.09231 R26 2.78909 -0.00023 -0.00027 -0.00012 -0.00039 2.78870 R27 2.77676 0.00010 0.00013 -0.00006 0.00007 2.77683 R28 3.10969 -0.00008 0.00102 0.00001 0.00103 3.11072 R29 1.78979 -0.00009 -0.00084 0.00071 -0.00012 1.78966 A1 2.14746 0.00014 0.00023 0.00055 0.00079 2.14824 A2 1.87541 -0.00022 -0.00022 -0.00007 -0.00028 1.87513 A3 1.89380 0.00007 0.00003 -0.00100 -0.00096 1.89284 A4 1.84712 0.00002 -0.00160 0.00173 0.00012 1.84724 A5 1.90316 -0.00011 0.00056 -0.00052 0.00004 1.90321 A6 1.75646 0.00008 0.00112 -0.00089 0.00023 1.75669 A7 1.85396 0.00007 0.00085 -0.00209 -0.00125 1.85271 A8 2.03508 0.00019 0.00110 -0.00096 0.00013 2.03521 A9 2.14423 -0.00009 -0.00054 -0.00022 -0.00076 2.14347 A10 2.10371 -0.00010 -0.00068 0.00114 0.00046 2.10417 A11 2.06074 -0.00003 -0.00138 -0.00068 -0.00205 2.05869 A12 2.24016 -0.00020 -0.00025 0.00238 0.00213 2.24230 A13 1.98225 0.00023 0.00160 -0.00169 -0.00008 1.98217 A14 1.94112 -0.00003 0.00015 0.00009 0.00028 1.94139 A15 1.88643 0.00002 0.00099 -0.00223 -0.00135 1.88508 A16 2.01567 -0.00005 0.00128 0.00092 0.00211 2.01778 A17 1.88289 -0.00003 -0.00168 0.00051 -0.00120 1.88169 A18 1.91409 0.00001 -0.00022 0.00068 0.00045 1.91453 A19 1.81503 0.00009 -0.00077 -0.00008 -0.00062 1.81441 A20 1.94448 0.00004 0.00085 -0.00026 0.00097 1.94545 A21 1.89185 -0.00013 -0.00081 -0.00035 -0.00118 1.89067 A22 1.90953 0.00022 -0.00010 0.00068 0.00052 1.91005 A23 1.83924 -0.00010 0.00005 0.00124 0.00138 1.84061 A24 1.90810 -0.00002 -0.00006 -0.00056 -0.00062 1.90749 A25 1.90344 0.00012 0.00143 -0.00148 -0.00009 1.90335 A26 2.00786 -0.00009 -0.00048 0.00049 -0.00003 2.00783 A27 1.93393 -0.00003 0.00024 0.00030 0.00054 1.93446 A28 1.92718 0.00010 0.00220 -0.00185 0.00035 1.92753 A29 1.92818 0.00001 -0.00231 0.00133 -0.00098 1.92720 A30 1.89735 -0.00004 -0.00046 0.00033 -0.00013 1.89722 A31 1.88833 0.00000 0.00027 0.00003 0.00030 1.88863 A32 1.88766 -0.00004 0.00003 -0.00012 -0.00008 1.88758 A33 1.96556 0.00004 -0.00001 0.00176 0.00168 1.96724 A34 1.75585 -0.00001 0.00106 -0.00020 0.00090 1.75675 A35 1.93676 -0.00012 0.00284 0.00030 0.00318 1.93995 A36 1.98630 -0.00003 -0.00263 -0.00151 -0.00413 1.98217 A37 1.94372 0.00000 -0.00061 -0.00077 -0.00138 1.94234 A38 1.86575 0.00012 -0.00044 0.00043 -0.00004 1.86571 A39 1.76673 0.00006 0.00258 0.00028 0.00285 1.76958 A40 1.93243 -0.00004 0.00012 -0.00027 -0.00011 1.93231 A41 1.97371 0.00001 0.00011 -0.00100 -0.00089 1.97282 A42 1.92113 -0.00001 -0.00274 0.00277 -0.00001 1.92112 A43 1.95742 0.00002 -0.00070 -0.00080 -0.00145 1.95597 A44 1.90891 -0.00002 0.00056 -0.00078 -0.00023 1.90869 A45 2.13142 -0.00037 0.00104 -0.00077 0.00027 2.13169 A46 1.84894 -0.00000 -0.00090 -0.00015 -0.00106 1.84788 A47 1.90432 0.00011 0.00121 0.00152 0.00272 1.90704 A48 1.74544 0.00044 0.00079 -0.00040 0.00038 1.74582 A49 2.17824 -0.00017 -0.00158 0.00002 -0.00156 2.17668 A50 1.85993 -0.00013 0.00094 -0.00060 0.00034 1.86027 A51 1.87900 -0.00010 0.00006 -0.00052 -0.00046 1.87854 A52 1.85796 0.00012 0.00075 0.00041 0.00116 1.85912 D1 2.68114 0.00003 -0.01055 -0.00156 -0.01210 2.66904 D2 0.35817 -0.00001 -0.00957 -0.00341 -0.01298 0.34518 D3 -1.62234 0.00007 -0.01009 -0.00306 -0.01316 -1.63550 D4 0.82876 -0.00002 0.00354 0.00317 0.00670 0.83546 D5 -2.29376 0.00002 0.00907 0.00617 0.01525 -2.27851 D6 -3.07435 0.00014 0.00438 0.00262 0.00699 -3.06736 D7 0.08631 0.00018 0.00991 0.00562 0.01553 0.10184 D8 -1.13690 0.00017 0.00327 0.00397 0.00724 -1.12966 D9 2.02376 0.00021 0.00880 0.00698 0.01579 2.03955 D10 -0.02800 -0.00002 -0.00566 -0.00204 -0.00769 -0.03569 D11 3.12237 -0.00000 -0.00415 -0.00348 -0.00762 3.11475 D12 3.13339 0.00002 0.00010 0.00110 0.00119 3.13458 D13 0.00057 0.00004 0.00161 -0.00034 0.00126 0.00183 D14 1.37538 0.00013 0.03283 0.02283 0.05566 1.43104 D15 -2.84401 0.00009 0.03146 0.02214 0.05353 -2.79048 D16 -0.82041 0.00019 0.03194 0.02106 0.05307 -0.76734 D17 -1.75777 0.00015 0.03429 0.02144 0.05574 -1.70203 D18 0.30603 0.00011 0.03293 0.02075 0.05360 0.35964 D19 2.32964 0.00021 0.03340 0.01967 0.05314 2.38278 D20 1.84751 -0.00010 -0.00787 -0.00238 -0.01023 1.83727 D21 -2.33503 -0.00014 -0.00810 -0.00324 -0.01134 -2.34638 D22 -0.30318 -0.00010 -0.00946 -0.00228 -0.01167 -0.31485 D23 0.68686 -0.00008 -0.00263 0.00146 -0.00118 0.68568 D24 -1.43415 -0.00006 -0.00016 0.00253 0.00236 -1.43179 D25 2.87929 -0.00015 -0.00122 0.00202 0.00079 2.88008 D26 -1.52268 -0.00000 -0.00367 0.00002 -0.00364 -1.52632 D27 2.63949 0.00002 -0.00120 0.00108 -0.00009 2.63940 D28 0.66974 -0.00007 -0.00227 0.00058 -0.00166 0.66808 D29 2.75060 -0.00002 -0.00124 -0.00083 -0.00213 2.74847 D30 0.62959 -0.00000 0.00123 0.00023 0.00142 0.63100 D31 -1.34017 -0.00009 0.00017 -0.00027 -0.00015 -1.34032 D32 1.88006 0.00016 0.01491 0.00170 0.01665 1.89672 D33 -2.32374 0.00019 0.01427 0.00121 0.01551 -2.30823 D34 -0.15570 0.00014 0.01360 0.00294 0.01662 -0.13908 D35 -3.11578 0.00001 0.00583 -0.00253 0.00335 -3.11243 D36 1.06418 0.00002 0.00480 -0.00191 0.00293 1.06711 D37 -1.02321 -0.00000 0.00481 -0.00143 0.00343 -1.01977 D38 -1.04648 -0.00003 0.00473 -0.00288 0.00186 -1.04462 D39 3.13348 -0.00002 0.00371 -0.00226 0.00144 3.13492 D40 1.04610 -0.00005 0.00372 -0.00178 0.00194 1.04804 D41 1.10166 0.00004 0.00620 -0.00492 0.00123 1.10289 D42 -1.00157 0.00005 0.00517 -0.00430 0.00082 -1.00075 D43 -3.08895 0.00003 0.00519 -0.00382 0.00132 -3.08764 D44 0.54849 -0.00017 -0.01211 -0.00252 -0.01463 0.53386 D45 -1.48816 -0.00017 -0.01031 -0.00573 -0.01607 -1.50423 D46 2.64575 -0.00011 -0.01123 -0.00378 -0.01504 2.63071 D47 -1.47936 -0.00001 -0.01188 -0.00206 -0.01393 -1.49329 D48 2.76717 -0.00001 -0.01009 -0.00527 -0.01537 2.75180 D49 0.61790 0.00005 -0.01101 -0.00331 -0.01434 0.60356 D50 2.65320 -0.00002 -0.01253 -0.00051 -0.01303 2.64018 D51 0.61655 -0.00002 -0.01073 -0.00372 -0.01447 0.60209 D52 -1.53272 0.00004 -0.01165 -0.00176 -0.01344 -1.54616 D53 -0.70512 0.00008 0.00616 0.00149 0.00750 -0.69762 D54 1.33980 0.00006 0.00644 0.00245 0.00883 1.34863 D55 -2.81391 0.00003 0.00472 0.00288 0.00754 -2.80636 D56 -2.81139 0.00006 0.00677 0.00023 0.00691 -2.80448 D57 -0.76647 0.00003 0.00704 0.00120 0.00824 -0.75823 D58 1.36301 0.00001 0.00533 0.00162 0.00696 1.36996 D59 1.31835 -0.00001 0.00958 0.00189 0.01139 1.32974 D60 -2.91991 -0.00004 0.00986 0.00285 0.01272 -2.90719 D61 -0.79044 -0.00007 0.00814 0.00328 0.01143 -0.77900 D62 -1.74914 0.00018 0.03296 0.01736 0.05036 -1.69878 D63 0.45544 0.00013 0.03467 0.01932 0.05397 0.50940 D64 2.63501 0.00018 0.03067 0.01724 0.04789 2.68290 D65 3.12044 0.00015 0.03573 0.01822 0.05395 -3.10879 D66 0.73551 0.00029 0.03761 0.01712 0.05473 0.79024 D67 -1.23280 0.00017 0.03678 0.01737 0.05415 -1.17865 D68 -1.54001 0.00012 0.00137 0.00275 0.00412 -1.53589 D69 0.38129 0.00025 0.00096 0.00225 0.00322 0.38451 D70 2.75535 -0.00015 -0.00029 0.00142 0.00111 2.75647 Item Value Threshold Converged? Maximum Force 0.001394 0.000450 NO RMS Force 0.000169 0.000300 YES Maximum Displacement 0.277931 0.001800 NO RMS Displacement 0.064544 0.001200 NO Predicted change in Energy=-4.158992D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.622796 2.015888 -0.744022 2 8 0 2.548996 2.230828 -1.875216 3 8 0 1.042413 0.689196 -0.411852 4 8 0 0.332645 3.032965 -0.958558 5 6 0 2.370460 2.731869 0.758674 6 1 0 2.767961 3.731998 0.671638 7 6 0 2.461981 2.068458 1.899965 8 1 0 2.045490 1.076226 1.941912 9 6 0 3.081623 2.522077 3.208318 10 1 0 2.395279 3.135051 3.774604 11 8 0 3.373018 1.357744 3.986794 12 6 0 4.753350 1.076064 3.996248 13 1 0 5.141690 1.303295 4.985387 14 6 0 4.970956 -0.399742 3.697695 15 6 0 4.433261 3.234987 3.089227 16 1 0 4.480816 3.899068 2.239533 17 6 0 5.373456 2.040372 2.982362 18 1 0 5.333143 1.622886 1.980985 19 1 0 6.396804 2.305187 3.220162 20 8 0 4.759120 3.905826 4.279687 21 1 0 6.030532 -0.649005 3.728379 22 1 0 4.583277 -0.648772 2.715434 23 1 0 4.456168 -1.014651 4.430572 24 15 0 4.476893 5.504802 4.483068 25 8 0 4.991854 5.838109 5.825254 26 8 0 3.125397 5.823576 4.002363 27 8 0 5.550471 6.125342 3.400439 28 1 0 6.370665 6.227357 3.862798 29 1 0 -0.402516 2.620997 -0.525849 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.477716 0.000000 3 O 1.485696 2.605351 0.000000 4 O 1.656792 2.529011 2.509165 0.000000 5 C 1.824754 2.687060 2.703027 2.681834 0.000000 6 H 2.502105 2.964443 3.661982 3.012798 1.079740 7 C 2.774466 3.779673 3.043359 3.692628 1.323267 8 H 2.876783 4.019589 2.587694 3.895561 2.060780 9 C 4.243277 5.119652 4.541306 5.018042 2.559399 10 H 4.718818 5.723785 5.033773 5.164078 3.042862 11 O 5.086949 5.983682 5.022625 6.042080 3.648849 12 C 5.757934 6.377049 5.775125 6.922586 4.347613 13 H 6.761401 7.392581 6.805246 7.838951 5.252204 14 C 6.064181 6.621414 5.788576 7.414721 5.020698 15 C 4.907008 5.404118 5.498769 5.765452 3.152738 16 H 4.540513 4.842119 5.399605 5.308978 2.830000 17 C 5.287153 5.622270 5.666065 6.475019 3.800124 18 H 4.620259 4.794930 5.000781 5.969440 3.391368 19 H 6.212053 6.385455 6.668767 7.400364 4.738399 20 O 6.216595 6.750785 6.794936 6.913377 4.413775 21 H 6.821449 7.198250 6.619186 8.245616 5.800481 22 H 5.275670 5.788304 4.909969 6.717237 4.489343 23 H 6.632389 7.343936 6.164891 7.901225 5.645301 24 P 6.902237 7.406988 7.677627 7.272969 5.098757 25 O 8.313563 8.847444 9.000604 8.694663 6.495434 26 O 6.267733 6.912742 7.084206 6.340167 4.544238 27 O 7.034970 7.211700 8.025448 7.469227 5.348555 28 H 7.842291 7.968827 8.793983 8.361059 6.152695 29 H 2.125005 3.268707 2.415092 0.947320 3.058053 6 7 8 9 10 6 H 0.000000 7 C 2.090401 0.000000 8 H 3.031285 1.076917 0.000000 9 C 2.827904 1.517074 2.183539 0.000000 10 H 3.181766 2.157856 2.778466 1.080502 0.000000 11 O 4.122310 2.385363 2.454205 1.430596 2.039563 12 C 4.695614 3.260310 3.398941 2.346584 3.138320 13 H 5.490139 4.157661 4.347500 2.981154 3.516262 14 C 5.575077 3.952062 3.717473 3.513701 4.374333 15 C 2.977413 2.580907 3.417314 1.532759 2.152463 16 H 2.328107 2.746294 3.740031 2.189153 2.699931 17 C 3.871647 3.106293 3.617661 2.352784 3.270398 18 H 3.569720 2.906659 3.333021 2.717394 3.759622 19 H 4.658248 4.157137 4.698745 3.322289 4.124109 20 O 4.124676 3.783629 4.564605 2.424168 2.537114 21 H 6.259491 4.843785 4.695577 4.361454 5.247502 22 H 5.163683 3.542347 3.164541 3.542906 4.497387 23 H 6.285723 4.459407 4.046796 3.986442 4.679485 24 P 4.537652 4.747710 5.655217 3.531064 3.232763 25 O 5.995095 6.001535 6.814465 4.636098 4.272457 26 O 3.949201 4.354436 5.286681 3.395927 2.795195 27 O 4.573490 5.314931 6.317101 4.372143 4.363149 28 H 5.421236 6.035476 6.995077 4.997524 5.037244 29 H 3.566542 3.794103 3.803800 5.108132 5.156143 11 12 13 14 15 11 O 0.000000 12 C 1.408812 0.000000 13 H 2.031835 1.086664 0.000000 14 C 2.392852 1.521344 2.141877 0.000000 15 C 2.335334 2.363492 2.797987 3.724326 0.000000 16 H 3.276959 3.336116 3.835949 4.565768 1.079465 17 C 2.340217 1.530485 2.146883 2.574463 1.523972 18 H 2.817031 2.167132 3.027413 2.677554 2.153336 19 H 3.260162 2.194081 2.386445 3.094789 2.176504 20 O 2.915440 2.843928 2.723516 4.349886 1.404779 21 H 3.340090 2.163056 2.486279 1.088933 4.247962 22 H 2.665932 2.155103 3.045501 1.084964 3.904588 23 H 2.645451 2.155932 2.480047 1.086384 4.456361 24 P 4.320060 4.463983 4.283333 5.977001 2.663973 25 O 5.106294 5.106782 4.614365 6.590730 3.817606 26 O 4.472719 5.018878 5.046258 6.498353 3.040579 27 O 5.274002 5.146416 5.092278 6.557508 3.114347 28 H 5.719650 5.400865 5.197786 6.775315 3.647770 29 H 6.017841 7.029874 7.927691 7.472442 6.068814 16 17 18 19 20 16 H 0.000000 17 C 2.191655 0.000000 18 H 2.444240 1.085669 0.000000 19 H 2.678264 1.083475 1.769878 0.000000 20 O 2.059060 2.353801 3.290190 2.523222 0.000000 21 H 5.030233 2.867235 2.949784 3.019882 4.760978 22 H 4.573819 2.815515 2.502428 3.502785 4.818939 23 H 5.380138 3.503126 3.704884 4.031437 4.932103 24 P 2.758957 3.880492 4.697111 3.939356 1.636380 25 O 4.108337 4.759250 5.715154 4.608897 2.485288 26 O 2.940826 4.517389 5.158091 4.867546 2.534507 27 O 2.729131 4.110122 4.725906 3.916933 2.515067 28 H 3.409904 4.393227 5.081223 3.974555 2.856638 29 H 5.755670 6.782811 6.338630 7.769368 7.168435 21 22 23 24 25 21 H 0.000000 22 H 1.766523 0.000000 23 H 1.762213 1.758329 0.000000 24 P 6.391610 6.403305 6.519697 0.000000 25 O 6.896259 7.205383 7.013731 1.475717 0.000000 26 O 7.099942 6.758172 6.979661 1.469434 2.608985 27 O 6.799248 6.877013 7.296449 1.646124 2.504852 28 H 6.886081 7.196690 7.512280 2.119716 2.429788 29 H 8.377080 6.786415 7.835231 7.564008 8.932276 26 27 28 29 26 O 0.000000 27 O 2.516814 0.000000 28 H 3.273268 0.947049 0.000000 29 H 6.573233 7.945704 8.839799 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.701568 -0.660312 0.188897 2 8 0 -4.019482 -0.930693 1.606455 3 8 0 -4.309388 0.456304 -0.579877 4 8 0 -4.042112 -2.037042 -0.667611 5 6 0 -1.887248 -0.590134 0.007114 6 1 0 -1.324337 -1.391833 0.461262 7 6 0 -1.266806 0.398238 -0.616751 8 1 0 -1.869651 1.172568 -1.060307 9 6 0 0.223540 0.601802 -0.814095 10 1 0 0.590293 0.023103 -1.649610 11 8 0 0.446002 1.984114 -1.107914 12 6 0 0.995874 2.663977 -0.003298 13 1 0 2.033368 2.896907 -0.227327 14 6 0 0.229031 3.957387 0.228073 15 6 0 1.096807 0.340561 0.418182 16 1 0 0.765088 -0.512165 0.990951 17 6 0 0.946959 1.665702 1.155771 18 1 0 -0.015119 1.706325 1.657201 19 1 0 1.736875 1.819374 1.881260 20 8 0 2.450913 0.221378 0.063787 21 1 0 0.654465 4.516375 1.060126 22 1 0 -0.812452 3.746395 0.447029 23 1 0 0.268192 4.584931 -0.657864 24 15 0 3.168188 -1.232763 -0.156957 25 8 0 4.581123 -0.942754 -0.468811 26 8 0 2.290729 -2.088062 -0.967985 27 8 0 3.135548 -1.805638 1.385921 28 1 0 3.926753 -1.496597 1.804717 29 1 0 -4.248382 -1.755309 -1.548233 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5521706 0.1980621 0.1620915 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1598.7791283513 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.98D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999994 0.001303 0.002478 -0.002211 Ang= 0.41 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57136114 A.U. after 12 cycles NFock= 12 Conv=0.40D-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 15 -0.001184300 0.000368041 -0.000482998 2 8 0.000002485 0.000019728 -0.000094123 3 8 -0.000054124 0.000196845 -0.000119906 4 8 0.000980576 -0.000860472 -0.000134103 5 6 0.000625513 -0.000133359 0.000683514 6 1 -0.000186128 0.000109886 -0.000024946 7 6 -0.000119005 0.000281797 -0.000500460 8 1 -0.000196359 0.000022248 0.000122078 9 6 0.000534076 -0.000336094 0.000351794 10 1 -0.000155828 -0.000214335 -0.000001003 11 8 -0.000163893 0.000564167 0.000302462 12 6 0.000230790 0.000005852 0.000008832 13 1 -0.000171865 -0.000121973 0.000101274 14 6 0.000022738 0.000060357 -0.000159306 15 6 -0.000315481 -0.000264613 -0.000242619 16 1 0.000053446 0.000059606 0.000101851 17 6 -0.000206442 0.000096058 0.000005780 18 1 0.000061579 0.000031078 -0.000038103 19 1 0.000058407 -0.000058017 -0.000049808 20 8 0.000192865 0.000267522 -0.000009886 21 1 0.000045498 0.000010143 0.000007031 22 1 0.000016748 -0.000016714 -0.000008332 23 1 0.000026620 -0.000054330 0.000007670 24 15 0.000616372 0.000118918 -0.000456351 25 8 -0.000116102 -0.000007295 0.000094787 26 8 -0.000093315 -0.000024250 -0.000019325 27 8 -0.000439425 -0.000097182 0.000437881 28 1 0.000014127 -0.000125456 -0.000036476 29 1 -0.000079575 0.000101845 0.000152790 ------------------------------------------------------------------- Cartesian Forces: Max 0.001184300 RMS 0.000294754 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001169745 RMS 0.000156521 Search for a local minimum. Step number 15 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 11 12 13 14 15 DE= -9.27D-05 DEPred=-4.16D-05 R= 2.23D+00 TightC=F SS= 1.41D+00 RLast= 1.99D-01 DXNew= 2.5586D+00 5.9774D-01 Trust test= 2.23D+00 RLast= 1.99D-01 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00158 0.00233 0.00339 0.00344 0.01029 Eigenvalues --- 0.02390 0.02463 0.03077 0.03184 0.03230 Eigenvalues --- 0.03529 0.04148 0.04360 0.04438 0.04780 Eigenvalues --- 0.05169 0.05191 0.05485 0.05547 0.05560 Eigenvalues --- 0.05822 0.06495 0.06574 0.07639 0.07966 Eigenvalues --- 0.08327 0.08453 0.11774 0.13499 0.14581 Eigenvalues --- 0.15403 0.15512 0.15928 0.15996 0.16006 Eigenvalues --- 0.16019 0.16117 0.16123 0.16477 0.16984 Eigenvalues --- 0.18166 0.19207 0.20199 0.20460 0.20835 Eigenvalues --- 0.21511 0.21894 0.23337 0.24056 0.24670 Eigenvalues --- 0.25822 0.25902 0.28503 0.28767 0.29445 Eigenvalues --- 0.29932 0.32377 0.33498 0.33578 0.33620 Eigenvalues --- 0.33748 0.34092 0.34393 0.34603 0.34835 Eigenvalues --- 0.36184 0.37361 0.39096 0.42585 0.45853 Eigenvalues --- 0.46339 0.48315 0.54112 0.55295 0.59405 Eigenvalues --- 0.61811 0.65631 0.68696 0.76922 0.99007 Eigenvalues --- 1.01228 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 15 14 13 12 11 10 9 8 7 6 RFO step: Lambda=-4.44528928D-05. DidBck=F Rises=F RFO-DIIS coefs: 1.78200 -0.91116 0.28909 -0.19502 -0.06178 RFO-DIIS coefs: 0.10348 0.05042 -0.03272 -0.08064 0.05633 Iteration 1 RMS(Cart)= 0.04599114 RMS(Int)= 0.00100866 Iteration 2 RMS(Cart)= 0.00135013 RMS(Int)= 0.00002109 Iteration 3 RMS(Cart)= 0.00000083 RMS(Int)= 0.00002108 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79248 0.00008 0.00003 0.00017 0.00019 2.79267 R2 2.80756 -0.00018 0.00006 -0.00002 0.00004 2.80760 R3 3.13088 -0.00117 0.00216 -0.00214 0.00002 3.13091 R4 3.44829 0.00076 0.00269 -0.00079 0.00190 3.45019 R5 1.79018 0.00009 -0.00028 0.00032 0.00004 1.79022 R6 2.04041 0.00004 -0.00016 -0.00000 -0.00016 2.04025 R7 2.50061 -0.00009 0.00045 -0.00025 0.00021 2.50082 R8 2.03508 0.00006 -0.00011 0.00011 0.00000 2.03508 R9 2.86685 0.00040 -0.00147 0.00092 -0.00055 2.86630 R10 2.04185 -0.00002 -0.00029 0.00001 -0.00028 2.04158 R11 2.70344 -0.00022 0.00064 -0.00059 0.00004 2.70347 R12 2.89649 -0.00009 -0.00063 0.00022 -0.00044 2.89605 R13 2.66227 0.00018 -0.00049 0.00061 0.00014 2.66241 R14 2.05350 0.00001 -0.00008 0.00021 0.00013 2.05363 R15 2.87492 0.00005 0.00022 0.00014 0.00036 2.87528 R16 2.89220 0.00001 0.00156 -0.00026 0.00132 2.89351 R17 2.05778 0.00004 0.00007 -0.00006 0.00001 2.05780 R18 2.05029 0.00001 -0.00005 0.00004 -0.00001 2.05027 R19 2.05297 0.00002 -0.00000 -0.00003 -0.00004 2.05293 R20 2.03989 -0.00004 0.00023 -0.00026 -0.00003 2.03986 R21 2.87989 -0.00016 0.00131 -0.00088 0.00042 2.88031 R22 2.65465 0.00011 -0.00044 0.00041 -0.00003 2.65462 R23 2.05162 0.00002 -0.00014 -0.00016 -0.00029 2.05132 R24 2.04747 0.00003 -0.00026 0.00041 0.00015 2.04762 R25 3.09231 -0.00013 0.00218 -0.00095 0.00123 3.09354 R26 2.78870 0.00004 -0.00027 0.00017 -0.00009 2.78861 R27 2.77683 0.00009 0.00015 0.00009 0.00025 2.77707 R28 3.11072 -0.00063 0.00071 -0.00110 -0.00040 3.11033 R29 1.78966 -0.00002 0.00003 -0.00031 -0.00028 1.78939 A1 2.14824 -0.00001 0.00104 -0.00095 0.00008 2.14833 A2 1.87513 -0.00016 -0.00046 -0.00020 -0.00065 1.87448 A3 1.89284 0.00007 -0.00052 0.00049 -0.00003 1.89281 A4 1.84724 -0.00010 0.00011 -0.00086 -0.00075 1.84649 A5 1.90321 0.00007 -0.00083 0.00166 0.00084 1.90404 A6 1.75669 0.00016 0.00065 -0.00009 0.00056 1.75726 A7 1.85271 0.00015 -0.00055 0.00099 0.00044 1.85315 A8 2.03521 -0.00017 0.00048 -0.00150 -0.00103 2.03418 A9 2.14347 0.00018 -0.00058 0.00109 0.00050 2.14397 A10 2.10417 -0.00001 -0.00002 0.00045 0.00042 2.10459 A11 2.05869 0.00001 -0.00173 0.00045 -0.00128 2.05741 A12 2.24230 0.00010 0.00104 0.00090 0.00194 2.24424 A13 1.98217 -0.00011 0.00068 -0.00135 -0.00066 1.98151 A14 1.94139 -0.00006 -0.00029 -0.00089 -0.00117 1.94022 A15 1.88508 0.00012 -0.00008 0.00037 0.00027 1.88535 A16 2.01778 -0.00011 0.00179 -0.00044 0.00134 2.01912 A17 1.88169 -0.00009 -0.00113 0.00001 -0.00114 1.88055 A18 1.91453 0.00009 0.00034 0.00100 0.00134 1.91587 A19 1.81441 0.00006 -0.00088 0.00002 -0.00082 1.81359 A20 1.94545 -0.00006 0.00048 -0.00077 -0.00014 1.94531 A21 1.89067 -0.00011 -0.00153 -0.00034 -0.00188 1.88879 A22 1.91005 0.00021 0.00101 0.00032 0.00129 1.91134 A23 1.84061 -0.00002 0.00117 0.00057 0.00183 1.84245 A24 1.90749 0.00002 -0.00058 0.00016 -0.00040 1.90709 A25 1.90335 0.00019 0.00019 0.00085 0.00103 1.90438 A26 2.00783 -0.00028 -0.00032 -0.00152 -0.00187 2.00596 A27 1.93446 -0.00006 0.00008 -0.00032 -0.00024 1.93422 A28 1.92753 0.00003 0.00066 -0.00027 0.00040 1.92792 A29 1.92720 0.00008 -0.00080 0.00057 -0.00023 1.92697 A30 1.89722 -0.00000 -0.00021 0.00012 -0.00009 1.89713 A31 1.88863 -0.00002 0.00032 -0.00026 0.00006 1.88869 A32 1.88758 -0.00003 -0.00005 0.00016 0.00010 1.88768 A33 1.96724 0.00002 0.00146 0.00038 0.00182 1.96907 A34 1.75675 0.00005 0.00034 0.00028 0.00065 1.75741 A35 1.93995 0.00000 0.00187 0.00079 0.00266 1.94261 A36 1.98217 0.00000 -0.00284 0.00088 -0.00197 1.98019 A37 1.94234 -0.00003 -0.00114 -0.00094 -0.00207 1.94027 A38 1.86571 -0.00004 0.00044 -0.00131 -0.00090 1.86481 A39 1.76958 -0.00003 0.00265 -0.00071 0.00205 1.77163 A40 1.93231 0.00004 -0.00040 0.00129 0.00089 1.93320 A41 1.97282 -0.00000 -0.00042 -0.00043 -0.00089 1.97194 A42 1.92112 0.00001 -0.00053 -0.00031 -0.00085 1.92027 A43 1.95597 0.00004 -0.00047 0.00016 -0.00034 1.95563 A44 1.90869 -0.00005 -0.00068 -0.00002 -0.00069 1.90799 A45 2.13169 0.00015 -0.00063 0.00253 0.00190 2.13359 A46 1.84788 -0.00004 -0.00060 -0.00028 -0.00088 1.84700 A47 1.90704 -0.00006 0.00162 -0.00026 0.00136 1.90840 A48 1.74582 0.00005 0.00077 -0.00142 -0.00065 1.74517 A49 2.17668 -0.00008 -0.00107 0.00020 -0.00086 2.17581 A50 1.86027 0.00013 0.00014 0.00100 0.00114 1.86141 A51 1.87854 0.00004 -0.00049 0.00039 -0.00010 1.87844 A52 1.85912 -0.00002 0.00091 -0.00030 0.00061 1.85973 D1 2.66904 -0.00000 -0.01090 0.00317 -0.00774 2.66130 D2 0.34518 0.00019 -0.01196 0.00509 -0.00688 0.33831 D3 -1.63550 0.00008 -0.01138 0.00361 -0.00776 -1.64326 D4 0.83546 0.00005 0.00454 0.00159 0.00613 0.84159 D5 -2.27851 -0.00001 0.01052 -0.00020 0.01032 -2.26820 D6 -3.06736 0.00016 0.00479 0.00213 0.00692 -3.06044 D7 0.10184 0.00010 0.01078 0.00033 0.01111 0.11296 D8 -1.12966 0.00014 0.00493 0.00168 0.00661 -1.12305 D9 2.03955 0.00008 0.01092 -0.00011 0.01081 2.05035 D10 -0.03569 0.00005 -0.00558 0.00224 -0.00334 -0.03903 D11 3.11475 0.00005 -0.00482 0.00119 -0.00362 3.11113 D12 3.13458 -0.00001 0.00064 0.00040 0.00104 3.13562 D13 0.00183 -0.00001 0.00140 -0.00065 0.00076 0.00259 D14 1.43104 0.00016 0.04089 0.00496 0.04585 1.47689 D15 -2.79048 0.00010 0.03930 0.00468 0.04396 -2.74652 D16 -0.76734 0.00019 0.03918 0.00471 0.04391 -0.72343 D17 -1.70203 0.00016 0.04165 0.00394 0.04558 -1.65644 D18 0.35964 0.00010 0.04005 0.00366 0.04369 0.40333 D19 2.38278 0.00019 0.03993 0.00369 0.04364 2.42642 D20 1.83727 -0.00005 -0.01410 -0.00027 -0.01437 1.82290 D21 -2.34638 -0.00010 -0.01513 -0.00112 -0.01626 -2.36263 D22 -0.31485 -0.00001 -0.01566 0.00004 -0.01562 -0.33047 D23 0.68568 -0.00004 0.00138 0.00189 0.00327 0.68895 D24 -1.43179 -0.00008 0.00384 0.00050 0.00434 -1.42744 D25 2.88008 -0.00006 0.00250 0.00156 0.00405 2.88413 D26 -1.52632 0.00006 0.00005 0.00259 0.00264 -1.52368 D27 2.63940 0.00001 0.00250 0.00120 0.00371 2.64311 D28 0.66808 0.00004 0.00116 0.00226 0.00341 0.67149 D29 2.74847 0.00009 0.00165 0.00212 0.00377 2.75224 D30 0.63100 0.00005 0.00410 0.00073 0.00484 0.63584 D31 -1.34032 0.00007 0.00276 0.00179 0.00455 -1.33577 D32 1.89672 0.00019 0.02031 0.00069 0.02101 1.91773 D33 -2.30823 0.00026 0.01928 0.00087 0.02017 -2.28806 D34 -0.13908 0.00003 0.02023 -0.00042 0.01979 -0.11929 D35 -3.11243 -0.00002 0.00292 -0.00079 0.00215 -3.11028 D36 1.06711 -0.00000 0.00269 -0.00056 0.00216 1.06927 D37 -1.01977 -0.00004 0.00284 -0.00095 0.00193 -1.01785 D38 -1.04462 -0.00002 0.00131 -0.00091 0.00040 -1.04422 D39 3.13492 -0.00000 0.00108 -0.00068 0.00041 3.13533 D40 1.04804 -0.00004 0.00124 -0.00107 0.00017 1.04821 D41 1.10289 0.00003 0.00088 -0.00076 0.00009 1.10298 D42 -1.00075 0.00005 0.00066 -0.00053 0.00010 -1.00065 D43 -3.08764 0.00002 0.00081 -0.00092 -0.00014 -3.08777 D44 0.53386 -0.00003 -0.01637 0.00069 -0.01565 0.51820 D45 -1.50423 -0.00004 -0.01701 0.00088 -0.01612 -1.52035 D46 2.63071 -0.00001 -0.01551 0.00025 -0.01524 2.61547 D47 -1.49329 0.00002 -0.01529 0.00038 -0.01492 -1.50821 D48 2.75180 0.00000 -0.01594 0.00057 -0.01539 2.73642 D49 0.60356 0.00004 -0.01443 -0.00006 -0.01450 0.58906 D50 2.64018 0.00005 -0.01445 0.00059 -0.01385 2.62632 D51 0.60209 0.00004 -0.01510 0.00078 -0.01432 0.58777 D52 -1.54616 0.00007 -0.01359 0.00015 -0.01344 -1.55959 D53 -0.69762 0.00001 0.00699 -0.00060 0.00637 -0.69125 D54 1.34863 0.00004 0.00771 0.00038 0.00808 1.35672 D55 -2.80636 0.00001 0.00614 0.00025 0.00637 -2.80000 D56 -2.80448 -0.00005 0.00639 -0.00165 0.00474 -2.79974 D57 -0.75823 -0.00002 0.00711 -0.00066 0.00645 -0.75178 D58 1.36996 -0.00004 0.00554 -0.00080 0.00473 1.37470 D59 1.32974 0.00002 0.00936 -0.00008 0.00927 1.33901 D60 -2.90719 0.00005 0.01008 0.00090 0.01098 -2.89621 D61 -0.77900 0.00002 0.00851 0.00077 0.00927 -0.76974 D62 -1.69878 0.00004 0.03404 -0.00206 0.03200 -1.66679 D63 0.50940 0.00005 0.03654 -0.00168 0.03486 0.54427 D64 2.68290 0.00000 0.03258 -0.00207 0.03049 2.71339 D65 -3.10879 -0.00019 0.03655 -0.00559 0.03096 -3.07784 D66 0.79024 -0.00001 0.03716 -0.00542 0.03174 0.82198 D67 -1.17865 -0.00005 0.03680 -0.00512 0.03169 -1.14696 D68 -1.53589 0.00006 0.00170 0.00165 0.00336 -1.53253 D69 0.38451 0.00007 0.00139 0.00110 0.00249 0.38700 D70 2.75647 0.00009 -0.00025 0.00242 0.00217 2.75864 Item Value Threshold Converged? Maximum Force 0.001170 0.000450 NO RMS Force 0.000157 0.000300 YES Maximum Displacement 0.193820 0.001800 NO RMS Displacement 0.046327 0.001200 NO Predicted change in Energy=-2.168968D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.636274 1.990942 -0.729032 2 8 0 2.584287 2.133160 -1.853751 3 8 0 0.991058 0.701669 -0.370113 4 8 0 0.396464 3.059024 -0.988013 5 6 0 2.398889 2.713248 0.764319 6 1 0 2.836942 3.694101 0.656200 7 6 0 2.457489 2.073449 1.921274 8 1 0 2.001322 1.099809 1.982003 9 6 0 3.086534 2.529803 3.223837 10 1 0 2.403958 3.144722 3.792283 11 8 0 3.380030 1.367573 4.004699 12 6 0 4.757450 1.071794 3.990994 13 1 0 5.159892 1.281738 4.978392 14 6 0 4.957589 -0.402007 3.670190 15 6 0 4.439126 3.238830 3.095751 16 1 0 4.484683 3.903330 2.246297 17 6 0 5.375988 2.042065 2.980796 18 1 0 5.333031 1.631496 1.976840 19 1 0 6.400542 2.303295 3.217737 20 8 0 4.778503 3.908956 4.282815 21 1 0 6.015104 -0.661292 3.685164 22 1 0 4.556314 -0.634570 2.689361 23 1 0 4.445655 -1.021683 4.401021 24 15 0 4.465430 5.499941 4.507800 25 8 0 5.044946 5.842344 5.821008 26 8 0 3.081296 5.785396 4.104928 27 8 0 5.460157 6.150502 3.369237 28 1 0 6.302832 6.270640 3.784075 29 1 0 -0.363784 2.689728 -0.560109 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.477818 0.000000 3 O 1.485716 2.605518 0.000000 4 O 1.656804 2.528496 2.508478 0.000000 5 C 1.825761 2.687967 2.704695 2.683269 0.000000 6 H 2.502243 2.966517 3.662684 3.010430 1.079654 7 C 2.775847 3.777627 3.046746 3.699072 1.323376 8 H 2.876993 4.015056 2.590675 3.903214 2.060097 9 C 4.244855 5.117761 4.544180 5.025558 2.560417 10 H 4.728936 5.738769 5.028950 5.185422 3.058555 11 O 5.083058 5.961608 5.028876 6.057214 3.643287 12 C 5.732819 6.325361 5.774250 6.910701 4.320719 13 H 6.744890 7.350976 6.806039 7.838812 5.237439 14 C 6.009201 6.524842 5.768494 7.381155 4.969492 15 C 4.903282 5.400047 5.508047 5.749137 3.142353 16 H 4.541282 4.853391 5.413100 5.280829 2.821895 17 C 5.267912 5.583435 5.679160 6.448357 3.771786 18 H 4.595318 4.741381 5.022499 5.932780 3.354039 19 H 6.194578 6.349232 6.685835 7.369424 4.711746 20 O 6.218600 6.754663 6.803026 6.906973 4.412719 21 H 6.759706 7.089362 6.598786 8.200515 5.744203 22 H 5.206280 5.673543 4.884360 6.668588 4.423591 23 H 6.579208 7.248442 6.137419 7.879709 5.600408 24 P 6.909530 7.439304 7.673898 7.260752 5.103910 25 O 8.327987 8.872138 9.010579 8.701611 6.508684 26 O 6.312934 7.006547 7.087973 6.370202 4.589492 27 O 6.979960 7.189526 7.977805 7.360969 5.288826 28 H 7.775648 7.920316 8.745608 8.244543 6.083973 29 H 2.125340 3.267170 2.413312 0.947343 3.063826 6 7 8 9 10 6 H 0.000000 7 C 2.090672 0.000000 8 H 3.030902 1.076918 0.000000 9 C 2.830309 1.516781 2.182824 0.000000 10 H 3.213146 2.156655 2.760598 1.080355 0.000000 11 O 4.113408 2.385372 2.462485 1.430616 2.038651 12 C 4.656791 3.252211 3.410729 2.346546 3.142522 13 H 5.467810 4.156412 4.357524 2.989137 3.531677 14 C 5.509935 3.929007 3.720879 3.506506 4.372097 15 C 2.953926 2.581549 3.429102 1.532524 2.153119 16 H 2.299400 2.750204 3.754553 2.190201 2.700921 17 C 3.818341 3.105029 3.643323 2.353413 3.272205 18 H 3.496983 2.909837 3.373870 2.721893 3.763662 19 H 4.603809 4.157080 4.725311 3.321745 4.124414 20 O 4.119243 3.785903 4.571409 2.426161 2.542270 21 H 6.184237 4.821488 4.702413 4.355735 5.247628 22 H 5.082065 3.511181 3.168030 3.529756 4.486884 23 H 6.232999 4.436417 4.040687 3.980707 4.679533 24 P 4.554981 4.739492 5.640270 3.517333 3.210714 25 O 6.013774 6.008945 6.818596 4.642586 4.285756 26 O 4.040662 4.351554 5.256223 3.372719 2.744028 27 O 4.502859 5.266401 6.276740 4.331823 4.307440 28 H 5.332406 5.989415 6.963329 4.965108 4.997264 29 H 3.568308 3.807446 3.818887 5.123331 5.177908 11 12 13 14 15 11 O 0.000000 12 C 1.408886 0.000000 13 H 2.030605 1.086734 0.000000 14 C 2.394160 1.521532 2.141802 0.000000 15 C 2.334411 2.366186 2.809635 3.722161 0.000000 16 H 3.277545 3.337059 3.846166 4.559280 1.079448 17 C 2.342470 1.531181 2.148298 2.573677 1.524195 18 H 2.827734 2.168266 3.026817 2.672738 2.152801 19 H 3.258586 2.194146 2.383841 3.099273 2.176524 20 O 2.914053 2.852208 2.744369 4.357957 1.404765 21 H 3.340960 2.163056 2.485798 1.088940 4.247595 22 H 2.668770 2.155547 3.045687 1.084958 3.896424 23 H 2.645973 2.155919 2.479766 1.086365 4.455979 24 P 4.302054 4.467756 4.300810 5.981371 2.665932 25 O 5.108278 5.117592 4.639218 6.604966 3.817372 26 O 4.429046 5.004050 5.036510 6.480234 3.057309 27 O 5.254251 5.164655 5.136575 6.578642 3.097601 28 H 5.712400 5.427616 5.255649 6.807853 3.624784 29 H 6.049934 7.039694 7.947857 7.468016 6.060922 16 17 18 19 20 16 H 0.000000 17 C 2.190484 0.000000 18 H 2.439986 1.085514 0.000000 19 H 2.678492 1.083556 1.769384 0.000000 20 O 2.057611 2.353194 3.288137 2.518640 0.000000 21 H 5.024768 2.865788 2.939468 3.025860 4.772163 22 H 4.560041 2.814458 2.499206 3.508762 4.819968 23 H 5.375883 3.502729 3.701817 4.034505 4.943275 24 P 2.768380 3.888156 4.703547 3.953158 1.637029 25 O 4.105147 4.755893 5.708929 4.597774 2.484959 26 O 2.994357 4.532307 5.182080 4.891781 2.536372 27 O 2.694871 4.127618 4.730365 3.963367 2.514718 28 H 3.357764 4.402856 5.072304 4.008754 2.854798 29 H 5.732049 6.775135 6.325319 7.757420 7.168232 21 22 23 24 25 21 H 0.000000 22 H 1.766467 0.000000 23 H 1.762243 1.758375 0.000000 24 P 6.406169 6.399000 6.522528 0.000000 25 O 6.913777 7.210852 7.034940 1.475668 0.000000 26 O 7.095295 6.737616 6.948775 1.469564 2.608467 27 O 6.841661 6.878690 7.316696 1.645915 2.505702 28 H 6.938606 7.206292 7.550345 2.119858 2.432039 29 H 8.363127 6.768854 7.843347 7.543362 8.939352 26 27 28 29 26 O 0.000000 27 O 2.516650 0.000000 28 H 3.273638 0.946902 0.000000 29 H 6.573759 7.831668 8.725746 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.696547 -0.661689 0.181638 2 8 0 -4.035733 -0.854186 1.607066 3 8 0 -4.302530 0.402305 -0.659821 4 8 0 -4.011206 -2.088470 -0.599568 5 6 0 -1.879131 -0.584000 0.025537 6 1 0 -1.318038 -1.356753 0.529203 7 6 0 -1.255981 0.379462 -0.633817 8 1 0 -1.858502 1.124766 -1.124982 9 6 0 0.235106 0.590884 -0.814337 10 1 0 0.613710 0.011197 -1.643668 11 8 0 0.453271 1.972933 -1.112679 12 6 0 0.968480 2.665479 0.000829 13 1 0 2.003096 2.923744 -0.208600 14 6 0 0.167590 3.940196 0.221588 15 6 0 1.096609 0.341774 0.428396 16 1 0 0.767556 -0.511602 1.001703 17 6 0 0.925911 1.667323 1.161168 18 1 0 -0.038764 1.695780 1.658092 19 1 0 1.709921 1.832788 1.890582 20 8 0 2.456577 0.234000 0.093381 21 1 0 0.568242 4.508881 1.059362 22 1 0 -0.871498 3.704611 0.426352 23 1 0 0.204098 4.568623 -0.663813 24 15 0 3.182766 -1.211783 -0.156067 25 8 0 4.607863 -0.910778 -0.392903 26 8 0 2.343449 -2.031876 -1.040722 27 8 0 3.080462 -1.847813 1.358540 28 1 0 3.850376 -1.556079 1.826244 29 1 0 -4.212219 -1.859498 -1.496577 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5549539 0.1980874 0.1624649 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1599.4932134258 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.97D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 0.999994 0.001553 0.001792 -0.002436 Ang= 0.39 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57139394 A.U. after 11 cycles NFock= 11 Conv=0.92D-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 15 -0.001468334 0.000605824 -0.000345212 2 8 0.000156525 0.000018493 0.000060206 3 8 0.000198590 0.000221519 -0.000059982 4 8 0.000967577 -0.000837525 -0.000050283 5 6 0.000527171 -0.000510309 0.000313111 6 1 -0.000238075 0.000093506 -0.000129841 7 6 -0.000181790 0.000442688 -0.000715739 8 1 -0.000199523 -0.000028722 0.000216491 9 6 0.000626609 -0.000377484 0.000542623 10 1 -0.000117700 -0.000199246 0.000039935 11 8 -0.000059199 0.000471756 0.000001460 12 6 0.000232128 0.000106548 0.000023787 13 1 -0.000141713 -0.000074072 0.000044409 14 6 -0.000014931 0.000055213 -0.000086212 15 6 -0.000175461 -0.000393988 -0.000004482 16 1 -0.000013189 0.000149528 0.000078706 17 6 -0.000397333 0.000103290 -0.000056009 18 1 0.000035585 -0.000093270 -0.000014106 19 1 -0.000025590 -0.000037638 -0.000046777 20 8 0.000114214 0.000620535 -0.000048392 21 1 0.000066706 -0.000009560 -0.000004443 22 1 0.000005588 0.000019173 0.000016403 23 1 0.000030821 -0.000085532 0.000014729 24 15 0.000523042 -0.000323866 -0.000577223 25 8 -0.000125449 0.000057928 0.000118761 26 8 -0.000006633 0.000047282 -0.000038512 27 8 -0.000506457 -0.000055516 0.000470377 28 1 0.000181637 -0.000095103 0.000039932 29 1 0.000005182 0.000108549 0.000196282 ------------------------------------------------------------------- Cartesian Forces: Max 0.001468334 RMS 0.000327015 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001220701 RMS 0.000161868 Search for a local minimum. Step number 16 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 12 13 14 15 16 DE= -3.28D-05 DEPred=-2.17D-05 R= 1.51D+00 TightC=F SS= 1.41D+00 RLast= 1.53D-01 DXNew= 2.5586D+00 4.5865D-01 Trust test= 1.51D+00 RLast= 1.53D-01 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00128 0.00233 0.00302 0.00367 0.01026 Eigenvalues --- 0.02390 0.02492 0.03073 0.03185 0.03370 Eigenvalues --- 0.03603 0.04154 0.04361 0.04447 0.04749 Eigenvalues --- 0.05131 0.05188 0.05487 0.05545 0.05557 Eigenvalues --- 0.05800 0.06536 0.06577 0.07646 0.07951 Eigenvalues --- 0.08332 0.08410 0.11789 0.13458 0.14609 Eigenvalues --- 0.15343 0.15578 0.15929 0.15995 0.16000 Eigenvalues --- 0.16007 0.16116 0.16142 0.16479 0.16994 Eigenvalues --- 0.18468 0.19196 0.20159 0.20393 0.20851 Eigenvalues --- 0.21516 0.21942 0.23365 0.24316 0.24821 Eigenvalues --- 0.25867 0.26149 0.28506 0.28759 0.29347 Eigenvalues --- 0.29770 0.32256 0.33498 0.33575 0.33620 Eigenvalues --- 0.33762 0.34089 0.34358 0.34588 0.34837 Eigenvalues --- 0.36187 0.37367 0.39092 0.42746 0.45932 Eigenvalues --- 0.46979 0.48426 0.54058 0.55446 0.59412 Eigenvalues --- 0.61803 0.64791 0.69156 0.74446 0.99003 Eigenvalues --- 1.01259 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 16 15 14 13 12 11 10 9 8 7 RFO step: Lambda=-2.49526691D-05. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. RFO-DIIS uses 8 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 0.94491 0.46896 -0.49539 0.02300 0.01412 RFO-DIIS coefs: 0.03287 0.06234 -0.05081 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.01961937 RMS(Int)= 0.00017223 Iteration 2 RMS(Cart)= 0.00022878 RMS(Int)= 0.00000654 Iteration 3 RMS(Cart)= 0.00000003 RMS(Int)= 0.00000654 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79267 0.00006 -0.00006 0.00012 0.00006 2.79273 R2 2.80760 -0.00029 0.00004 -0.00019 -0.00015 2.80745 R3 3.13091 -0.00122 0.00051 -0.00144 -0.00093 3.12998 R4 3.45019 0.00018 0.00122 -0.00010 0.00112 3.45131 R5 1.79022 0.00004 -0.00030 0.00027 -0.00003 1.79019 R6 2.04025 0.00000 -0.00000 -0.00006 -0.00006 2.04019 R7 2.50082 -0.00014 0.00009 -0.00011 -0.00001 2.50080 R8 2.03508 0.00012 -0.00004 0.00018 0.00014 2.03522 R9 2.86630 0.00050 -0.00042 0.00070 0.00028 2.86658 R10 2.04158 -0.00002 -0.00004 -0.00005 -0.00009 2.04148 R11 2.70347 -0.00030 -0.00021 -0.00034 -0.00053 2.70294 R12 2.89605 -0.00014 -0.00057 0.00003 -0.00054 2.89552 R13 2.66241 0.00003 0.00003 0.00016 0.00019 2.66259 R14 2.05363 -0.00003 -0.00004 0.00001 -0.00003 2.05360 R15 2.87528 0.00004 0.00017 0.00010 0.00027 2.87555 R16 2.89351 -0.00014 0.00086 -0.00032 0.00053 2.89404 R17 2.05780 0.00007 0.00007 0.00002 0.00009 2.05789 R18 2.05027 -0.00002 -0.00008 0.00002 -0.00006 2.05022 R19 2.05293 0.00004 0.00006 -0.00001 0.00005 2.05298 R20 2.03986 0.00003 0.00006 -0.00005 0.00001 2.03987 R21 2.88031 -0.00021 0.00019 -0.00026 -0.00007 2.88024 R22 2.65462 0.00013 -0.00005 0.00015 0.00010 2.65472 R23 2.05132 0.00005 0.00013 -0.00021 -0.00007 2.05125 R24 2.04762 -0.00004 -0.00020 0.00017 -0.00003 2.04760 R25 3.09354 -0.00037 0.00093 -0.00064 0.00029 3.09382 R26 2.78861 0.00007 -0.00012 0.00011 -0.00000 2.78860 R27 2.77707 0.00003 0.00010 0.00004 0.00014 2.77721 R28 3.11033 -0.00061 0.00018 -0.00071 -0.00053 3.10980 R29 1.78939 0.00017 -0.00007 0.00011 0.00004 1.78943 A1 2.14833 0.00003 0.00061 -0.00034 0.00027 2.14860 A2 1.87448 0.00005 -0.00032 0.00028 -0.00004 1.87444 A3 1.89281 -0.00014 -0.00041 -0.00018 -0.00059 1.89222 A4 1.84649 0.00015 -0.00024 0.00046 0.00021 1.84669 A5 1.90404 -0.00007 -0.00014 0.00012 -0.00001 1.90403 A6 1.75726 -0.00001 0.00051 -0.00032 0.00019 1.75744 A7 1.85315 0.00004 -0.00025 0.00046 0.00020 1.85335 A8 2.03418 -0.00030 0.00031 -0.00138 -0.00107 2.03311 A9 2.14397 0.00021 -0.00025 0.00081 0.00055 2.14453 A10 2.10459 0.00009 -0.00011 0.00061 0.00050 2.10508 A11 2.05741 0.00001 -0.00065 0.00021 -0.00043 2.05698 A12 2.24424 0.00030 0.00030 0.00107 0.00137 2.24561 A13 1.98151 -0.00031 0.00034 -0.00128 -0.00094 1.98057 A14 1.94022 -0.00004 -0.00027 -0.00058 -0.00085 1.93937 A15 1.88535 0.00004 0.00044 0.00014 0.00058 1.88593 A16 2.01912 -0.00004 0.00061 0.00016 0.00078 2.01990 A17 1.88055 -0.00007 -0.00076 -0.00019 -0.00095 1.87961 A18 1.91587 0.00004 0.00036 0.00044 0.00079 1.91667 A19 1.81359 0.00008 -0.00050 0.00004 -0.00046 1.81312 A20 1.94531 -0.00004 0.00009 -0.00030 -0.00024 1.94507 A21 1.88879 -0.00006 -0.00146 0.00021 -0.00125 1.88753 A22 1.91134 0.00016 0.00081 0.00019 0.00102 1.91236 A23 1.84245 -0.00006 0.00046 0.00014 0.00057 1.84302 A24 1.90709 -0.00000 -0.00029 0.00015 -0.00015 1.90694 A25 1.90438 0.00014 0.00087 0.00022 0.00108 1.90546 A26 2.00596 -0.00018 -0.00045 -0.00085 -0.00129 2.00467 A27 1.93422 -0.00003 -0.00004 -0.00021 -0.00026 1.93397 A28 1.92792 -0.00004 0.00050 -0.00038 0.00012 1.92804 A29 1.92697 0.00012 -0.00020 0.00050 0.00030 1.92727 A30 1.89713 0.00001 -0.00027 0.00012 -0.00015 1.89698 A31 1.88869 -0.00004 0.00003 -0.00011 -0.00008 1.88861 A32 1.88768 -0.00002 -0.00002 0.00008 0.00006 1.88775 A33 1.96907 0.00003 0.00077 0.00028 0.00105 1.97011 A34 1.75741 -0.00005 -0.00016 -0.00005 -0.00022 1.75719 A35 1.94261 -0.00002 0.00045 0.00012 0.00057 1.94318 A36 1.98019 0.00004 -0.00137 0.00095 -0.00041 1.97979 A37 1.94027 -0.00005 -0.00022 -0.00086 -0.00109 1.93918 A38 1.86481 0.00006 0.00054 -0.00036 0.00018 1.86499 A39 1.77163 0.00004 0.00159 -0.00038 0.00117 1.77281 A40 1.93320 -0.00002 -0.00061 0.00070 0.00010 1.93330 A41 1.97194 -0.00004 -0.00002 -0.00053 -0.00053 1.97140 A42 1.92027 0.00008 -0.00033 0.00045 0.00013 1.92040 A43 1.95563 -0.00004 -0.00004 -0.00023 -0.00025 1.95538 A44 1.90799 -0.00001 -0.00049 -0.00001 -0.00050 1.90749 A45 2.13359 0.00033 -0.00033 0.00157 0.00124 2.13484 A46 1.84700 0.00001 -0.00037 0.00026 -0.00012 1.84688 A47 1.90840 0.00002 0.00059 0.00021 0.00081 1.90921 A48 1.74517 0.00017 0.00071 -0.00041 0.00029 1.74546 A49 2.17581 -0.00010 -0.00075 0.00009 -0.00065 2.17516 A50 1.86141 -0.00003 0.00006 -0.00005 0.00002 1.86143 A51 1.87844 -0.00000 0.00007 -0.00023 -0.00016 1.87828 A52 1.85973 -0.00001 0.00039 -0.00014 0.00025 1.85998 D1 2.66130 0.00023 -0.00720 0.00402 -0.00319 2.65811 D2 0.33831 0.00006 -0.00757 0.00393 -0.00364 0.33466 D3 -1.64326 0.00009 -0.00755 0.00377 -0.00377 -1.64703 D4 0.84159 0.00015 0.00159 0.00169 0.00327 0.84486 D5 -2.26820 0.00006 0.00372 0.00025 0.00397 -2.26423 D6 -3.06044 0.00001 0.00195 0.00118 0.00312 -3.05732 D7 0.11296 -0.00008 0.00408 -0.00026 0.00382 0.11678 D8 -1.12305 0.00015 0.00185 0.00158 0.00343 -1.11961 D9 2.05035 0.00006 0.00398 0.00015 0.00413 2.05448 D10 -0.03903 0.00006 -0.00219 0.00149 -0.00070 -0.03973 D11 3.11113 0.00006 -0.00163 0.00096 -0.00067 3.11046 D12 3.13562 -0.00003 0.00002 0.00003 0.00005 3.13566 D13 0.00259 -0.00003 0.00058 -0.00050 0.00008 0.00267 D14 1.47689 0.00017 0.01832 0.00477 0.02309 1.49998 D15 -2.74652 0.00009 0.01751 0.00429 0.02180 -2.72472 D16 -0.72343 0.00018 0.01755 0.00453 0.02209 -0.70134 D17 -1.65644 0.00017 0.01887 0.00425 0.02312 -1.63332 D18 0.40333 0.00008 0.01806 0.00378 0.02184 0.42516 D19 2.42642 0.00018 0.01810 0.00402 0.02212 2.44854 D20 1.82290 -0.00001 -0.00944 0.00071 -0.00873 1.81418 D21 -2.36263 -0.00007 -0.00994 -0.00000 -0.00994 -2.37257 D22 -0.33047 -0.00002 -0.01010 0.00043 -0.00967 -0.34014 D23 0.68895 0.00000 0.00168 0.00124 0.00293 0.69188 D24 -1.42744 -0.00003 0.00303 0.00002 0.00305 -1.42439 D25 2.88413 -0.00006 0.00234 0.00041 0.00275 2.88688 D26 -1.52368 0.00005 0.00125 0.00152 0.00277 -1.52091 D27 2.64311 0.00002 0.00260 0.00030 0.00289 2.64600 D28 0.67149 -0.00001 0.00191 0.00069 0.00259 0.67409 D29 2.75224 0.00008 0.00222 0.00153 0.00375 2.75599 D30 0.63584 0.00005 0.00357 0.00031 0.00387 0.63971 D31 -1.33577 0.00002 0.00288 0.00070 0.00357 -1.33220 D32 1.91773 0.00010 0.01274 -0.00048 0.01226 1.92999 D33 -2.28806 0.00016 0.01200 -0.00007 0.01193 -2.27613 D34 -0.11929 -0.00000 0.01221 -0.00090 0.01132 -0.10798 D35 -3.11028 -0.00005 0.00143 -0.00213 -0.00070 -3.11098 D36 1.06927 -0.00002 0.00147 -0.00189 -0.00043 1.06885 D37 -1.01785 -0.00005 0.00131 -0.00207 -0.00077 -1.01862 D38 -1.04422 -0.00003 -0.00003 -0.00168 -0.00171 -1.04593 D39 3.13533 -0.00000 0.00000 -0.00144 -0.00143 3.13389 D40 1.04821 -0.00003 -0.00016 -0.00162 -0.00178 1.04643 D41 1.10298 0.00003 0.00055 -0.00189 -0.00133 1.10165 D42 -1.00065 0.00005 0.00059 -0.00165 -0.00105 -1.00171 D43 -3.08777 0.00003 0.00043 -0.00183 -0.00140 -3.08917 D44 0.51820 0.00004 -0.00917 0.00099 -0.00818 0.51002 D45 -1.52035 -0.00006 -0.00936 0.00038 -0.00899 -1.52934 D46 2.61547 0.00000 -0.00825 0.00024 -0.00802 2.60745 D47 -1.50821 0.00007 -0.00812 0.00058 -0.00754 -1.51575 D48 2.73642 -0.00002 -0.00832 -0.00004 -0.00835 2.72807 D49 0.58906 0.00003 -0.00721 -0.00018 -0.00739 0.58167 D50 2.62632 0.00009 -0.00809 0.00082 -0.00727 2.61905 D51 0.58777 -0.00000 -0.00829 0.00021 -0.00808 0.57969 D52 -1.55959 0.00005 -0.00718 0.00007 -0.00711 -1.56671 D53 -0.69125 -0.00004 0.00321 -0.00068 0.00253 -0.68872 D54 1.35672 -0.00001 0.00319 0.00012 0.00331 1.36002 D55 -2.80000 0.00000 0.00231 0.00028 0.00259 -2.79741 D56 -2.79974 -0.00006 0.00305 -0.00143 0.00162 -2.79812 D57 -0.75178 -0.00003 0.00303 -0.00063 0.00239 -0.74938 D58 1.37470 -0.00002 0.00215 -0.00048 0.00167 1.37637 D59 1.33901 -0.00006 0.00383 -0.00069 0.00313 1.34214 D60 -2.89621 -0.00003 0.00380 0.00010 0.00390 -2.89231 D61 -0.76974 -0.00002 0.00292 0.00026 0.00318 -0.76655 D62 -1.66679 -0.00009 0.01376 -0.00383 0.00992 -1.65686 D63 0.54427 -0.00010 0.01494 -0.00403 0.01091 0.55517 D64 2.71339 -0.00004 0.01347 -0.00364 0.00983 2.72322 D65 -3.07784 -0.00031 0.01466 -0.00637 0.00829 -3.06955 D66 0.82198 -0.00019 0.01548 -0.00687 0.00862 0.83059 D67 -1.14696 -0.00027 0.01488 -0.00649 0.00838 -1.13858 D68 -1.53253 0.00008 -0.00039 0.00161 0.00122 -1.53132 D69 0.38700 0.00015 -0.00051 0.00171 0.00121 0.38821 D70 2.75864 -0.00001 -0.00137 0.00163 0.00026 2.75889 Item Value Threshold Converged? Maximum Force 0.001221 0.000450 NO RMS Force 0.000162 0.000300 YES Maximum Displacement 0.096626 0.001800 NO RMS Displacement 0.019648 0.001200 NO Predicted change in Energy=-1.104882D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.640510 1.975203 -0.721754 2 8 0 2.597528 2.082028 -1.842802 3 8 0 0.966004 0.705106 -0.348908 4 8 0 0.425823 3.065803 -1.001928 5 6 0 2.411427 2.701371 0.766178 6 1 0 2.868068 3.672350 0.646768 7 6 0 2.454663 2.075004 1.931124 8 1 0 1.979890 1.110910 2.002037 9 6 0 3.087910 2.533878 3.230934 10 1 0 2.406282 3.149155 3.800038 11 8 0 3.383462 1.373886 4.013828 12 6 0 4.759335 1.071381 3.987310 13 1 0 5.169123 1.272226 4.973561 14 6 0 4.951169 -0.400985 3.654389 15 6 0 4.440055 3.242333 3.098432 16 1 0 4.483747 3.907883 2.249695 17 6 0 5.375669 2.045113 2.978674 18 1 0 5.331194 1.637563 1.973597 19 1 0 6.400779 2.305113 3.214491 20 8 0 4.784774 3.911674 4.284458 21 1 0 6.007874 -0.664141 3.658914 22 1 0 4.541288 -0.625078 2.675181 23 1 0 4.442984 -1.024187 4.384878 24 15 0 4.462163 5.499555 4.518799 25 8 0 5.061374 5.843612 5.822701 26 8 0 3.068870 5.775256 4.141226 27 8 0 5.431155 6.161541 3.365136 28 1 0 6.280232 6.287030 3.765119 29 1 0 -0.345352 2.717417 -0.576076 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.477850 0.000000 3 O 1.485638 2.605667 0.000000 4 O 1.656312 2.528079 2.508211 0.000000 5 C 1.826356 2.687935 2.705132 2.683585 0.000000 6 H 2.502011 2.966526 3.662479 3.008431 1.079620 7 C 2.776791 3.776635 3.048158 3.701441 1.323368 8 H 2.877710 4.013394 2.592216 3.906473 2.059888 9 C 4.246272 5.117366 4.545564 5.028595 2.561387 10 H 4.734044 5.746040 5.026085 5.195002 3.066732 11 O 5.081850 5.951409 5.032378 6.063663 3.640645 12 C 5.720074 6.299605 5.772894 6.902864 4.306418 13 H 6.736609 7.330190 6.805623 7.837237 5.229667 14 C 5.979745 6.474881 5.755984 7.360615 4.941322 15 C 4.902743 5.399723 5.512776 5.740921 3.138054 16 H 4.544091 4.862109 5.420797 5.267722 2.819753 17 C 5.258276 5.564716 5.684502 6.433349 3.756667 18 H 4.582583 4.715440 5.031738 5.912383 3.333855 19 H 6.185712 6.331722 6.692878 7.352342 4.697466 20 O 6.220810 6.758326 6.806847 6.903755 4.413152 21 H 6.725344 7.031414 6.584673 8.172834 5.712182 22 H 5.168669 5.614160 4.867972 6.639336 4.387011 23 H 6.551938 7.199880 6.122791 7.866592 5.576916 24 P 6.917094 7.458306 7.674923 7.259037 5.110530 25 O 8.336474 8.887069 9.014713 8.705177 6.516466 26 O 6.334760 7.047743 7.091528 6.385833 4.612152 27 O 6.971161 7.196839 7.968963 7.328587 5.276942 28 H 7.762145 7.917899 8.736367 8.208236 6.067804 29 H 2.125031 3.266322 2.412605 0.947330 3.066225 6 7 8 9 10 6 H 0.000000 7 C 2.090929 0.000000 8 H 3.030938 1.076994 0.000000 9 C 2.832377 1.516929 2.182368 0.000000 10 H 3.229565 2.156150 2.751193 1.080307 0.000000 11 O 4.109216 2.385768 2.467078 1.430334 2.037687 12 C 4.636933 3.247565 3.415873 2.346202 3.144690 13 H 5.456792 4.155619 4.362016 2.993320 3.540242 14 C 5.475139 3.915700 3.720832 3.502066 4.370487 15 C 2.943928 2.582063 3.434743 1.532241 2.153408 16 H 2.288071 2.752838 3.762140 2.190681 2.700943 17 C 3.791273 3.103310 3.654842 2.352949 3.272737 18 H 3.459454 2.909913 3.392552 2.723343 3.765091 19 H 4.576307 4.155938 4.737133 3.320799 4.124473 20 O 4.118717 3.786946 4.573959 2.426435 2.544273 21 H 6.143009 4.807649 4.703265 4.351630 5.247153 22 H 5.038056 3.492574 3.166629 3.521387 4.479776 23 H 6.205746 4.424852 4.037747 3.978396 4.680489 24 P 4.568637 4.738531 5.635244 3.513177 3.204317 25 O 6.026214 6.011799 6.818467 4.643938 4.289613 26 O 4.083353 4.353581 5.245772 3.366827 2.729805 27 O 4.489433 5.255062 6.267227 4.320734 4.291091 28 H 5.310699 5.978267 6.956552 4.956049 4.985475 29 H 3.568377 3.812982 3.825478 5.129747 5.187318 11 12 13 14 15 11 O 0.000000 12 C 1.408985 0.000000 13 H 2.029780 1.086718 0.000000 14 C 2.395217 1.521676 2.141810 0.000000 15 C 2.333545 2.367504 2.815843 3.720765 0.000000 16 H 3.277794 3.337814 3.851737 4.556094 1.079454 17 C 2.343283 1.531459 2.149323 2.572972 1.524156 18 H 2.832971 2.168554 3.026470 2.669300 2.152828 19 H 3.257349 2.194010 2.382888 3.101265 2.176302 20 O 2.911577 2.855907 2.754863 4.361616 1.404816 21 H 3.341714 2.163037 2.486225 1.088990 4.246497 22 H 2.669905 2.155737 3.045733 1.084928 3.891819 23 H 2.647833 2.156280 2.479382 1.086391 4.456248 24 P 4.294151 4.469845 4.310094 5.983536 2.667017 25 O 5.105474 5.121921 4.650830 6.611257 3.817634 26 O 4.414437 5.000780 5.037968 6.475029 3.063211 27 O 5.247426 5.171863 5.153745 6.586410 3.094379 28 H 5.708950 5.437415 5.276661 6.819693 3.619516 29 H 6.064351 7.042142 7.955909 7.461528 6.056209 16 17 18 19 20 16 H 0.000000 17 C 2.190171 0.000000 18 H 2.439006 1.085474 0.000000 19 H 2.678566 1.083541 1.769026 0.000000 20 O 2.056913 2.353355 3.287892 2.517407 0.000000 21 H 5.021182 2.863994 2.931899 3.027929 4.777589 22 H 4.553250 2.813933 2.497142 3.512062 4.819873 23 H 5.374568 3.502557 3.699744 4.035716 4.948699 24 P 2.771772 3.890970 4.706193 3.957766 1.637181 25 O 4.104518 4.755615 5.707824 4.595405 2.484972 26 O 3.011120 4.537270 5.190108 4.899219 2.537278 27 O 2.687147 4.134902 4.734210 3.979309 2.514928 28 H 3.344279 4.408014 5.072254 4.021615 2.854544 29 H 5.720349 6.768924 6.315861 7.749109 7.167234 21 22 23 24 25 21 H 0.000000 22 H 1.766390 0.000000 23 H 1.762253 1.758413 0.000000 24 P 6.412470 6.396586 6.525144 0.000000 25 O 6.923055 7.212581 7.043891 1.475665 0.000000 26 O 7.094801 6.729158 6.941179 1.469639 2.608084 27 O 6.856299 6.879396 7.324686 1.645633 2.505482 28 H 6.957315 7.210348 7.563958 2.119793 2.432258 29 H 8.350663 6.754421 7.844669 7.537258 8.941484 26 27 28 29 26 O 0.000000 27 O 2.516330 0.000000 28 H 3.273562 0.946924 0.000000 29 H 6.577251 7.795074 8.688295 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.695999 -0.663265 0.178009 2 8 0 -4.045284 -0.818592 1.605565 3 8 0 -4.299900 0.374546 -0.696845 4 8 0 -3.997631 -2.111950 -0.566102 5 6 0 -1.877140 -0.580874 0.034693 6 1 0 -1.317753 -1.339177 0.561610 7 6 0 -1.252244 0.369541 -0.641709 8 1 0 -1.853957 1.100175 -1.155548 9 6 0 0.239247 0.585007 -0.815207 10 1 0 0.622635 0.005356 -1.642299 11 8 0 0.455609 1.966645 -1.115406 12 6 0 0.952773 2.665017 0.002780 13 1 0 1.985168 2.937227 -0.199750 14 6 0 0.133741 3.928978 0.219777 15 6 0 1.096079 0.341053 0.431423 16 1 0 0.769853 -0.513774 1.004194 17 6 0 0.914299 1.665868 1.162775 18 1 0 -0.051461 1.687805 1.657833 19 1 0 1.695365 1.837053 1.894001 20 8 0 2.458388 0.240318 0.103590 21 1 0 0.520704 4.500891 1.061842 22 1 0 -0.903732 3.679733 0.416231 23 1 0 0.168911 4.559904 -0.663932 24 15 0 3.192177 -1.200169 -0.155084 25 8 0 4.619375 -0.891948 -0.368843 26 8 0 2.368135 -2.011626 -1.061908 27 8 0 3.071672 -1.856694 1.349098 28 1 0 3.833803 -1.568319 1.831447 29 1 0 -4.195641 -1.908478 -1.469886 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5569326 0.1978661 0.1625327 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1599.7185260611 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.96D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 0.999998 0.001070 0.000692 -0.001489 Ang= 0.22 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57140862 A.U. after 11 cycles NFock= 11 Conv=0.47D-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 15 -0.001138807 0.000653011 -0.000062228 2 8 0.000163436 -0.000004325 0.000040335 3 8 0.000184119 0.000161759 -0.000103207 4 8 0.000788159 -0.000735548 -0.000080703 5 6 0.000373368 -0.000588340 0.000086857 6 1 -0.000215569 0.000078299 -0.000127896 7 6 -0.000183295 0.000427590 -0.000581915 8 1 -0.000191063 -0.000012744 0.000212603 9 6 0.000496458 -0.000274576 0.000457209 10 1 -0.000107106 -0.000159868 0.000038561 11 8 -0.000024917 0.000264403 -0.000121814 12 6 0.000157777 0.000119037 0.000015752 13 1 -0.000083183 -0.000029854 0.000012138 14 6 -0.000015621 0.000039455 -0.000032229 15 6 -0.000177618 -0.000342534 0.000069870 16 1 -0.000048493 0.000138480 0.000053788 17 6 -0.000261922 0.000098188 -0.000042808 18 1 0.000000470 -0.000073041 0.000012447 19 1 -0.000009026 -0.000022282 -0.000034810 20 8 0.000121728 0.000681732 -0.000064184 21 1 0.000048609 -0.000010076 -0.000001468 22 1 -0.000003483 0.000033732 0.000015405 23 1 0.000025385 -0.000067728 0.000010940 24 15 0.000385150 -0.000331081 -0.000473652 25 8 -0.000104646 0.000008147 0.000157234 26 8 0.000025466 -0.000018077 -0.000078209 27 8 -0.000365089 -0.000057701 0.000357498 28 1 0.000156317 -0.000094596 0.000034115 29 1 0.000003396 0.000118538 0.000230372 ------------------------------------------------------------------- Cartesian Forces: Max 0.001138807 RMS 0.000274355 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001012093 RMS 0.000141983 Search for a local minimum. Step number 17 out of a maximum of 161 All quantities printed in internal units (Hartrees-Bohrs-Radians) Mixed Optimization -- En-DIIS/RFO-DIIS Swapping is turned off. Update second derivatives using D2CorX and points 12 13 14 15 16 17 DE= -1.47D-05 DEPred=-1.10D-05 R= 1.33D+00 TightC=F SS= 1.41D+00 RLast= 7.14D-02 DXNew= 2.5586D+00 2.1418D-01 Trust test= 1.33D+00 RLast= 7.14D-02 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00099 0.00232 0.00283 0.00365 0.01021 Eigenvalues --- 0.02304 0.02410 0.02926 0.03107 0.03195 Eigenvalues --- 0.03685 0.04189 0.04333 0.04380 0.04736 Eigenvalues --- 0.05070 0.05187 0.05486 0.05541 0.05549 Eigenvalues --- 0.05823 0.06526 0.06589 0.07637 0.07972 Eigenvalues --- 0.08284 0.08381 0.11798 0.13586 0.14582 Eigenvalues --- 0.15272 0.15742 0.15953 0.15974 0.16000 Eigenvalues --- 0.16012 0.16108 0.16142 0.16250 0.17071 Eigenvalues --- 0.18347 0.19219 0.20171 0.20406 0.20865 Eigenvalues --- 0.21521 0.21887 0.23538 0.24173 0.24751 Eigenvalues --- 0.25892 0.26141 0.28470 0.28754 0.29315 Eigenvalues --- 0.29749 0.32152 0.33499 0.33569 0.33616 Eigenvalues --- 0.33755 0.34084 0.34321 0.34592 0.34860 Eigenvalues --- 0.36183 0.37375 0.39112 0.43109 0.45673 Eigenvalues --- 0.45951 0.48302 0.54183 0.55848 0.59404 Eigenvalues --- 0.61118 0.61969 0.67717 0.70856 0.99007 Eigenvalues --- 1.01259 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 17 16 15 14 13 12 11 10 9 8 RFO step: Lambda=-4.71207683D-05. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. RFO-DIIS uses 8 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 2.89209 -2.00000 -0.45583 1.11350 -0.27810 RFO-DIIS coefs: -0.34990 0.06488 0.01336 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.03815227 RMS(Int)= 0.00074098 Iteration 2 RMS(Cart)= 0.00098878 RMS(Int)= 0.00002100 Iteration 3 RMS(Cart)= 0.00000062 RMS(Int)= 0.00002099 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79273 0.00007 0.00002 0.00031 0.00034 2.79307 R2 2.80745 -0.00025 -0.00017 -0.00025 -0.00042 2.80703 R3 3.12998 -0.00101 -0.00185 -0.00213 -0.00398 3.12599 R4 3.45131 -0.00010 0.00101 0.00137 0.00238 3.45370 R5 1.79019 0.00006 0.00013 -0.00012 0.00001 1.79020 R6 2.04019 -0.00001 -0.00005 -0.00003 -0.00008 2.04011 R7 2.50080 -0.00014 -0.00008 -0.00025 -0.00033 2.50047 R8 2.03522 0.00011 0.00017 0.00031 0.00048 2.03570 R9 2.86658 0.00039 0.00063 0.00047 0.00110 2.86768 R10 2.04148 -0.00000 -0.00000 0.00003 0.00002 2.04151 R11 2.70294 -0.00024 -0.00066 -0.00095 -0.00161 2.70132 R12 2.89552 -0.00008 -0.00048 -0.00086 -0.00135 2.89416 R13 2.66259 0.00001 0.00026 0.00047 0.00075 2.66334 R14 2.05360 -0.00003 0.00001 -0.00025 -0.00024 2.05336 R15 2.87555 0.00001 0.00025 0.00036 0.00061 2.87616 R16 2.89404 -0.00013 0.00044 0.00068 0.00114 2.89518 R17 2.05789 0.00005 0.00002 0.00022 0.00024 2.05813 R18 2.05022 -0.00002 -0.00003 -0.00015 -0.00018 2.05003 R19 2.05298 0.00003 -0.00001 0.00020 0.00019 2.05317 R20 2.03987 0.00004 -0.00023 0.00024 0.00001 2.03988 R21 2.88024 -0.00018 -0.00005 -0.00033 -0.00039 2.87985 R22 2.65472 0.00009 0.00030 -0.00005 0.00025 2.65497 R23 2.05125 0.00002 -0.00016 -0.00010 -0.00026 2.05099 R24 2.04760 -0.00002 0.00010 -0.00012 -0.00002 2.04757 R25 3.09382 -0.00050 -0.00027 -0.00049 -0.00076 3.09307 R26 2.78860 0.00010 0.00011 -0.00001 0.00010 2.78871 R27 2.77721 -0.00001 0.00014 0.00013 0.00027 2.77748 R28 3.10980 -0.00046 -0.00084 -0.00089 -0.00173 3.10806 R29 1.78943 0.00014 0.00001 0.00019 0.00020 1.78963 A1 2.14860 -0.00002 -0.00001 0.00007 0.00006 2.14866 A2 1.87444 0.00008 0.00021 -0.00017 0.00003 1.87447 A3 1.89222 -0.00012 -0.00038 -0.00093 -0.00131 1.89091 A4 1.84669 0.00014 0.00016 0.00099 0.00114 1.84784 A5 1.90403 -0.00001 0.00009 0.00024 0.00033 1.90436 A6 1.75744 -0.00008 -0.00005 -0.00019 -0.00024 1.75721 A7 1.85335 0.00004 0.00072 0.00048 0.00119 1.85455 A8 2.03311 -0.00029 -0.00163 -0.00173 -0.00336 2.02975 A9 2.14453 0.00021 0.00099 0.00114 0.00212 2.14665 A10 2.10508 0.00008 0.00068 0.00061 0.00128 2.10636 A11 2.05698 0.00001 -0.00016 -0.00041 -0.00057 2.05641 A12 2.24561 0.00030 0.00148 0.00220 0.00367 2.24928 A13 1.98057 -0.00031 -0.00132 -0.00178 -0.00310 1.97747 A14 1.93937 -0.00005 -0.00115 -0.00187 -0.00301 1.93637 A15 1.88593 -0.00001 0.00066 0.00045 0.00109 1.88702 A16 2.01990 0.00003 0.00091 0.00184 0.00273 2.02262 A17 1.87961 -0.00003 -0.00087 -0.00086 -0.00174 1.87786 A18 1.91667 0.00002 0.00071 0.00092 0.00163 1.91830 A19 1.81312 0.00004 -0.00034 -0.00058 -0.00087 1.81225 A20 1.94507 -0.00003 -0.00064 -0.00022 -0.00069 1.94437 A21 1.88753 -0.00003 -0.00078 -0.00212 -0.00292 1.88462 A22 1.91236 0.00009 0.00086 0.00161 0.00243 1.91479 A23 1.84302 -0.00003 0.00040 0.00068 0.00117 1.84419 A24 1.90694 0.00000 0.00013 -0.00026 -0.00012 1.90682 A25 1.90546 0.00008 0.00086 0.00153 0.00237 1.90783 A26 2.00467 -0.00011 -0.00145 -0.00149 -0.00297 2.00170 A27 1.93397 -0.00001 -0.00037 -0.00033 -0.00070 1.93327 A28 1.92804 -0.00006 -0.00000 -0.00018 -0.00018 1.92786 A29 1.92727 0.00010 0.00036 0.00083 0.00120 1.92847 A30 1.89698 0.00002 -0.00002 -0.00026 -0.00028 1.89670 A31 1.88861 -0.00004 -0.00009 -0.00018 -0.00027 1.88834 A32 1.88775 -0.00001 0.00012 0.00011 0.00024 1.88798 A33 1.97011 0.00002 0.00052 0.00128 0.00178 1.97189 A34 1.75719 -0.00002 -0.00015 0.00001 -0.00011 1.75708 A35 1.94318 -0.00002 0.00014 -0.00059 -0.00044 1.94273 A36 1.97979 0.00003 0.00078 -0.00034 0.00043 1.98021 A37 1.93918 -0.00003 -0.00125 -0.00089 -0.00213 1.93705 A38 1.86499 0.00003 0.00008 0.00059 0.00066 1.86565 A39 1.77281 0.00002 0.00051 0.00169 0.00228 1.77509 A40 1.93330 -0.00002 0.00075 -0.00106 -0.00032 1.93298 A41 1.97140 -0.00002 -0.00064 -0.00018 -0.00085 1.97055 A42 1.92040 0.00006 0.00021 0.00041 0.00060 1.92099 A43 1.95538 -0.00002 -0.00053 0.00006 -0.00050 1.95488 A44 1.90749 -0.00000 -0.00023 -0.00077 -0.00099 1.90651 A45 2.13484 0.00026 0.00202 0.00038 0.00239 2.13723 A46 1.84688 -0.00002 0.00028 -0.00055 -0.00027 1.84661 A47 1.90921 -0.00004 0.00047 0.00019 0.00067 1.90988 A48 1.74546 0.00006 0.00003 0.00069 0.00072 1.74618 A49 2.17516 -0.00004 -0.00026 -0.00082 -0.00108 2.17408 A50 1.86143 0.00003 -0.00023 0.00053 0.00030 1.86173 A51 1.87828 0.00004 -0.00024 0.00029 0.00005 1.87833 A52 1.85998 -0.00002 -0.00000 0.00036 0.00035 1.86033 D1 2.65811 0.00023 -0.00190 0.00154 -0.00037 2.65774 D2 0.33466 0.00011 -0.00215 0.00089 -0.00126 0.33340 D3 -1.64703 0.00009 -0.00227 0.00037 -0.00190 -1.64893 D4 0.84486 0.00014 0.00261 0.00530 0.00791 0.85277 D5 -2.26423 0.00005 0.00170 0.00485 0.00655 -2.25768 D6 -3.05732 0.00001 0.00234 0.00481 0.00715 -3.05017 D7 0.11678 -0.00008 0.00144 0.00435 0.00580 0.12257 D8 -1.11961 0.00013 0.00253 0.00590 0.00842 -1.11119 D9 2.05448 0.00004 0.00163 0.00544 0.00707 2.06155 D10 -0.03973 0.00005 0.00104 -0.00029 0.00075 -0.03898 D11 3.11046 0.00004 0.00092 -0.00085 0.00007 3.11054 D12 3.13566 -0.00003 0.00015 -0.00072 -0.00058 3.13508 D13 0.00267 -0.00004 0.00003 -0.00128 -0.00126 0.00142 D14 1.49998 0.00018 0.01950 0.03542 0.05492 1.55490 D15 -2.72472 0.00011 0.01819 0.03358 0.05174 -2.67298 D16 -0.70134 0.00017 0.01876 0.03426 0.05304 -0.64831 D17 -1.63332 0.00017 0.01939 0.03487 0.05426 -1.57907 D18 0.42516 0.00010 0.01807 0.03303 0.05108 0.47625 D19 2.44854 0.00016 0.01865 0.03371 0.05238 2.50091 D20 1.81418 0.00006 -0.00603 -0.01051 -0.01652 1.79765 D21 -2.37257 -0.00003 -0.00751 -0.01296 -0.02047 -2.39305 D22 -0.34014 0.00000 -0.00724 -0.01257 -0.01979 -0.35993 D23 0.69188 0.00002 0.00302 0.00365 0.00667 0.69855 D24 -1.42439 -0.00000 0.00193 0.00344 0.00538 -1.41901 D25 2.88688 -0.00002 0.00187 0.00298 0.00485 2.89173 D26 -1.52091 0.00005 0.00323 0.00393 0.00716 -1.51375 D27 2.64600 0.00002 0.00215 0.00371 0.00587 2.65187 D28 0.67409 0.00000 0.00209 0.00326 0.00534 0.67943 D29 2.75599 0.00005 0.00409 0.00481 0.00890 2.76489 D30 0.63971 0.00003 0.00301 0.00459 0.00761 0.64732 D31 -1.33220 0.00001 0.00295 0.00414 0.00708 -1.32512 D32 1.92999 0.00004 0.00920 0.01630 0.02552 1.95551 D33 -2.27613 0.00008 0.00938 0.01566 0.02504 -2.25108 D34 -0.10798 -0.00002 0.00838 0.01521 0.02358 -0.08439 D35 -3.11098 -0.00004 -0.00136 -0.00111 -0.00244 -3.11342 D36 1.06885 -0.00002 -0.00109 -0.00045 -0.00151 1.06734 D37 -1.01862 -0.00003 -0.00147 -0.00101 -0.00245 -1.02107 D38 -1.04593 -0.00002 -0.00173 -0.00290 -0.00462 -1.05056 D39 3.13389 0.00000 -0.00146 -0.00223 -0.00369 3.13020 D40 1.04643 -0.00001 -0.00184 -0.00279 -0.00463 1.04179 D41 1.10165 0.00001 -0.00154 -0.00217 -0.00373 1.09792 D42 -1.00171 0.00003 -0.00127 -0.00150 -0.00280 -1.00450 D43 -3.08917 0.00001 -0.00165 -0.00206 -0.00374 -3.09291 D44 0.51002 0.00004 -0.00607 -0.01142 -0.01748 0.49254 D45 -1.52934 -0.00003 -0.00690 -0.01234 -0.01924 -1.54858 D46 2.60745 0.00001 -0.00670 -0.01040 -0.01709 2.59036 D47 -1.51575 0.00005 -0.00579 -0.01004 -0.01584 -1.53159 D48 2.72807 -0.00001 -0.00662 -0.01096 -0.01760 2.71047 D49 0.58167 0.00002 -0.00642 -0.00903 -0.01545 0.56622 D50 2.61905 0.00006 -0.00559 -0.00982 -0.01540 2.60365 D51 0.57969 -0.00000 -0.00641 -0.01073 -0.01716 0.56253 D52 -1.56671 0.00003 -0.00622 -0.00880 -0.01501 -1.58172 D53 -0.68872 -0.00003 0.00191 0.00398 0.00585 -0.68286 D54 1.36002 -0.00002 0.00312 0.00380 0.00692 1.36694 D55 -2.79741 -0.00000 0.00261 0.00315 0.00574 -2.79167 D56 -2.79812 -0.00004 0.00101 0.00261 0.00360 -2.79452 D57 -0.74938 -0.00004 0.00222 0.00244 0.00467 -0.74472 D58 1.37637 -0.00002 0.00171 0.00179 0.00349 1.37986 D59 1.34214 -0.00005 0.00203 0.00354 0.00555 1.34770 D60 -2.89231 -0.00004 0.00324 0.00337 0.00662 -2.88569 D61 -0.76655 -0.00002 0.00273 0.00271 0.00544 -0.76111 D62 -1.65686 -0.00012 -0.00069 0.00538 0.00471 -1.65215 D63 0.55517 -0.00013 -0.00086 0.00592 0.00507 0.56024 D64 2.72322 -0.00010 -0.00062 0.00533 0.00470 2.72792 D65 -3.06955 -0.00035 -0.00338 0.00021 -0.00316 -3.07271 D66 0.83059 -0.00025 -0.00363 0.00159 -0.00204 0.82855 D67 -1.13858 -0.00030 -0.00353 0.00088 -0.00265 -1.14123 D68 -1.53132 0.00006 0.00027 0.00328 0.00355 -1.52776 D69 0.38821 0.00007 0.00052 0.00310 0.00362 0.39183 D70 2.75889 0.00007 -0.00018 0.00267 0.00249 2.76139 Item Value Threshold Converged? Maximum Force 0.001012 0.000450 NO RMS Force 0.000142 0.000300 YES Maximum Displacement 0.223193 0.001800 NO RMS Displacement 0.038355 0.001200 NO Predicted change in Energy=-1.962692D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.641756 1.935083 -0.706025 2 8 0 2.614326 1.963919 -1.818609 3 8 0 0.905209 0.709466 -0.303753 4 8 0 0.484937 3.072084 -1.030661 5 6 0 2.433280 2.668734 0.768908 6 1 0 2.929124 3.616682 0.623916 7 6 0 2.443845 2.075042 1.951387 8 1 0 1.929315 1.133338 2.045818 9 6 0 3.086605 2.540222 3.244950 10 1 0 2.404922 3.153479 3.816191 11 8 0 3.390799 1.385387 4.030592 12 6 0 4.764282 1.073924 3.976829 13 1 0 5.188333 1.256289 4.960496 14 6 0 4.944029 -0.393994 3.617113 15 6 0 4.435079 3.252337 3.103263 16 1 0 4.471333 3.921743 2.257207 17 6 0 5.372603 2.058029 2.972491 18 1 0 5.326495 1.657015 1.965011 19 1 0 6.397894 2.319218 3.206147 20 8 0 4.787018 3.919800 4.288384 21 1 0 5.999852 -0.660591 3.598621 22 1 0 4.516533 -0.600453 2.641675 23 1 0 4.446796 -1.027900 4.346074 24 15 0 4.457659 5.503983 4.535236 25 8 0 5.064853 5.842620 5.836924 26 8 0 3.059662 5.775130 4.171451 27 8 0 5.412910 6.179239 3.379115 28 1 0 6.265493 6.304302 3.771961 29 1 0 -0.306943 2.773873 -0.604708 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478028 0.000000 3 O 1.485416 2.605672 0.000000 4 O 1.654204 2.526497 2.507386 0.000000 5 C 1.827617 2.687897 2.706351 2.682756 0.000000 6 H 2.500767 2.965915 3.661790 3.001376 1.079578 7 C 2.779348 3.775485 3.052517 3.704595 1.323192 8 H 2.880646 4.011596 2.597873 3.912759 2.059592 9 C 4.250174 5.118085 4.550104 5.033130 2.564006 10 H 4.745245 5.762801 5.019590 5.213918 3.085727 11 O 5.079061 5.928808 5.041981 6.074970 3.633511 12 C 5.693934 6.245118 5.774830 6.883341 4.274078 13 H 6.719258 7.285775 6.808560 7.830262 5.211019 14 C 5.917696 6.366659 5.736103 7.314301 4.878159 15 C 4.903926 5.403701 5.525752 5.720615 3.130017 16 H 4.553468 4.888132 5.440082 5.236731 2.817575 17 C 5.240784 5.529158 5.701755 6.398657 3.724024 18 H 4.559501 4.665386 5.058943 5.866613 3.290126 19 H 6.170373 6.299984 6.714186 7.313030 4.666954 20 O 6.227030 6.770629 6.816334 6.893385 4.414970 21 H 6.652856 6.906245 6.562085 8.110326 5.640223 22 H 5.089241 5.485301 4.840774 6.574750 4.305203 23 H 6.493937 7.093112 6.097718 7.836802 5.524080 24 P 6.938096 7.503417 7.682650 7.257813 5.130494 25 O 8.354437 8.925054 9.019968 8.707194 6.533262 26 O 6.367589 7.113682 7.094369 6.402940 4.649661 27 O 6.994486 7.253780 7.987572 7.306535 5.292922 28 H 7.779549 7.963945 8.754786 8.180907 6.076309 29 H 2.123973 3.265485 2.412812 0.947333 3.067034 6 7 8 9 10 6 H 0.000000 7 C 2.091490 0.000000 8 H 3.031240 1.077248 0.000000 9 C 2.837848 1.517510 2.180953 0.000000 10 H 3.268022 2.154538 2.727891 1.080320 0.000000 11 O 4.098446 2.386512 2.477658 1.429480 2.035699 12 C 4.590801 3.238685 3.430651 2.345268 3.149116 13 H 5.429678 4.154191 4.373975 3.001474 3.557546 14 C 5.394867 3.888663 3.726957 3.492586 4.367065 15 C 2.923664 2.584155 3.447782 1.531524 2.153967 16 H 2.266961 2.759446 3.779119 2.191280 2.700132 17 C 3.730388 3.101704 3.683749 2.352134 3.273984 18 H 3.374347 2.912834 3.438255 2.726794 3.768536 19 H 4.514831 4.155545 4.766642 3.318884 4.124557 20 O 4.119706 3.788819 4.578202 2.425572 2.546487 21 H 6.047587 4.779357 4.711544 4.342499 5.245759 22 H 4.937149 3.454099 3.170926 3.503209 4.464346 23 H 6.142469 4.401657 4.037306 3.974178 4.683370 24 P 4.603993 4.742294 5.629588 3.511197 3.202440 25 O 6.057359 6.013462 6.810390 4.640865 4.288365 26 O 4.154629 4.358735 5.228980 3.365080 2.725427 27 O 4.508549 5.262907 6.274888 4.321127 4.288852 28 H 5.316470 5.983822 6.965692 4.954934 4.983337 29 H 3.562580 3.819532 3.836338 5.137180 5.200256 11 12 13 14 15 11 O 0.000000 12 C 1.409381 0.000000 13 H 2.027934 1.086590 0.000000 14 C 2.397850 1.522001 2.141914 0.000000 15 C 2.331515 2.370016 2.828589 3.717365 0.000000 16 H 3.278040 3.339609 3.863483 4.549546 1.079458 17 C 2.345117 1.532062 2.151490 2.571309 1.523951 18 H 2.843823 2.168753 3.025327 2.661270 2.152974 19 H 3.254900 2.193946 2.381302 3.105501 2.175762 20 O 2.905019 2.862970 2.776163 4.368532 1.404948 21 H 3.343618 2.162918 2.487509 1.089118 4.243219 22 H 2.672064 2.155818 3.045610 1.084831 3.881197 23 H 2.653039 2.157499 2.478893 1.086491 4.457034 24 P 4.284354 4.475629 4.331008 5.988792 2.668513 25 O 5.092368 5.127451 4.670953 6.620990 3.818256 26 O 4.404468 5.004493 5.057050 6.474274 3.065498 27 O 5.243507 5.180948 5.175580 6.594231 3.098225 28 H 5.703199 5.445407 5.296728 6.829159 3.621058 29 H 6.089926 7.042559 7.966970 7.445257 6.038605 16 17 18 19 20 16 H 0.000000 17 C 2.190285 0.000000 18 H 2.438375 1.085336 0.000000 19 H 2.679591 1.083530 1.768285 0.000000 20 O 2.055563 2.353864 3.287749 2.515555 0.000000 21 H 5.013337 2.859437 2.914342 3.031788 4.788186 22 H 4.538734 2.812441 2.492002 3.518896 4.818454 23 H 5.372423 3.502401 3.694875 4.038492 4.959720 24 P 2.773641 3.892800 4.707451 3.959004 1.636780 25 O 4.105655 4.756344 5.707842 4.594817 2.484432 26 O 3.015326 4.539168 5.192859 4.900912 2.537653 27 O 2.691009 4.141417 4.738952 3.987464 2.514672 28 H 3.345157 4.412169 5.073861 4.027228 2.852793 29 H 5.686835 6.750262 6.291776 7.725553 7.155693 21 22 23 24 25 21 H 0.000000 22 H 1.766238 0.000000 23 H 1.762267 1.758565 0.000000 24 P 6.423206 6.391648 6.534631 0.000000 25 O 6.940892 7.212728 7.057526 1.475721 0.000000 26 O 7.098687 6.716453 6.945204 1.469781 2.607518 27 O 6.868476 6.878337 7.335614 1.644716 2.505051 28 H 6.972113 7.211938 7.576177 2.119283 2.432849 29 H 8.321008 6.722424 7.846130 7.521566 8.931295 26 27 28 29 26 O 0.000000 27 O 2.515726 0.000000 28 H 3.273678 0.947030 0.000000 29 H 6.569115 7.757840 8.649629 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.698326 -0.666808 0.170566 2 8 0 -4.069752 -0.741431 1.599216 3 8 0 -4.298093 0.310441 -0.773746 4 8 0 -3.969691 -2.159062 -0.489683 5 6 0 -1.876939 -0.571029 0.054119 6 1 0 -1.322083 -1.296202 0.630095 7 6 0 -1.247932 0.348336 -0.659993 8 1 0 -1.846965 1.045186 -1.222153 9 6 0 0.244164 0.573375 -0.820745 10 1 0 0.635145 -0.004115 -1.645809 11 8 0 0.455514 1.954740 -1.121702 12 6 0 0.918318 2.661923 0.006155 13 1 0 1.944529 2.963648 -0.184975 14 6 0 0.062409 3.901936 0.221273 15 6 0 1.094722 0.336932 0.430739 16 1 0 0.776624 -0.523170 1.000185 17 6 0 0.892538 1.657967 1.163142 18 1 0 -0.073669 1.665592 1.657450 19 1 0 1.669851 1.839015 1.895974 20 8 0 2.460266 0.251964 0.111448 21 1 0 0.423077 4.477157 1.072870 22 1 0 -0.970166 3.623137 0.402705 23 1 0 0.091539 4.541234 -0.656743 24 15 0 3.213457 -1.177168 -0.151862 25 8 0 4.637380 -0.849015 -0.358045 26 8 0 2.404983 -1.994436 -1.067667 27 8 0 3.095260 -1.844262 1.346840 28 1 0 3.849859 -1.546614 1.835565 29 1 0 -4.155327 -2.013365 -1.407153 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5618518 0.1970265 0.1624648 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1599.9256014982 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.94D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 0.999988 0.003475 0.000853 -0.003421 Ang= 0.57 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57145709 A.U. after 11 cycles NFock= 11 Conv=0.74D-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 15 0.000108700 0.000269299 0.000447273 2 8 0.000079476 0.000001670 0.000086827 3 8 0.000079815 0.000028172 -0.000079238 4 8 0.000006947 -0.000139763 -0.000251098 5 6 -0.000034047 -0.000532871 -0.000481922 6 1 -0.000104216 0.000007420 -0.000057607 7 6 -0.000088717 0.000200501 0.000004347 8 1 -0.000165267 0.000056606 0.000130863 9 6 0.000110807 0.000003940 -0.000023719 10 1 -0.000018663 -0.000059560 0.000071118 11 8 0.000115731 -0.000276789 -0.000328312 12 6 -0.000035916 0.000146916 0.000052491 13 1 0.000070318 0.000057794 -0.000012210 14 6 -0.000035488 0.000022126 0.000076364 15 6 -0.000184297 0.000073451 0.000222508 16 1 -0.000066262 0.000022462 -0.000040106 17 6 0.000003872 0.000046144 -0.000052879 18 1 -0.000054451 -0.000007332 0.000010147 19 1 -0.000006468 0.000000740 -0.000005737 20 8 0.000198354 0.000311936 0.000008314 21 1 -0.000010750 -0.000000990 0.000003787 22 1 -0.000023364 0.000023282 -0.000000613 23 1 0.000007667 0.000018466 -0.000005192 24 15 -0.000194972 -0.000358887 0.000123160 25 8 0.000006201 0.000011536 0.000095986 26 8 0.000104258 -0.000068544 -0.000205428 27 8 0.000067081 0.000097794 -0.000037177 28 1 0.000043288 -0.000099210 -0.000008768 29 1 0.000020365 0.000143690 0.000256821 ------------------------------------------------------------------- Cartesian Forces: Max 0.000532871 RMS 0.000147320 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000621249 RMS 0.000102735 Search for a local minimum. Step number 18 out of a maximum of 161 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 14 15 16 17 18 DE= -4.85D-05 DEPred=-1.96D-05 R= 2.47D+00 TightC=F SS= 1.41D+00 RLast= 1.54D-01 DXNew= 2.5586D+00 4.6106D-01 Trust test= 2.47D+00 RLast= 1.54D-01 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00061 0.00232 0.00297 0.00354 0.01022 Eigenvalues --- 0.01353 0.02398 0.02783 0.03090 0.03199 Eigenvalues --- 0.03618 0.04176 0.04361 0.04406 0.04804 Eigenvalues --- 0.05099 0.05198 0.05492 0.05533 0.05550 Eigenvalues --- 0.05825 0.06556 0.06607 0.07665 0.07965 Eigenvalues --- 0.08376 0.08437 0.11839 0.13614 0.14560 Eigenvalues --- 0.15270 0.15700 0.15892 0.15992 0.16007 Eigenvalues --- 0.16020 0.16122 0.16137 0.16385 0.17318 Eigenvalues --- 0.18932 0.19349 0.20338 0.20504 0.20893 Eigenvalues --- 0.21523 0.21900 0.22959 0.24615 0.25130 Eigenvalues --- 0.25962 0.26084 0.28573 0.28767 0.29456 Eigenvalues --- 0.30097 0.32337 0.33499 0.33590 0.33615 Eigenvalues --- 0.33750 0.34099 0.34369 0.34621 0.34848 Eigenvalues --- 0.36181 0.37385 0.39158 0.43341 0.45046 Eigenvalues --- 0.45951 0.48320 0.54356 0.55292 0.59405 Eigenvalues --- 0.61823 0.65296 0.67245 0.75229 0.99008 Eigenvalues --- 1.01236 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 18 17 16 15 14 13 12 11 10 9 RFO step: Lambda=-7.63299556D-05. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. RFO-DIIS uses 5 points instead of 10 DidBck=T Rises=F RFO-DIIS coefs: 0.73114 2.25250 -2.00000 -0.30855 0.32491 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.05547310 RMS(Int)= 0.00163324 Iteration 2 RMS(Cart)= 0.00220646 RMS(Int)= 0.00003225 Iteration 3 RMS(Cart)= 0.00000310 RMS(Int)= 0.00003223 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00003223 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79307 -0.00001 0.00001 0.00038 0.00039 2.79346 R2 2.80703 -0.00008 -0.00023 -0.00055 -0.00078 2.80625 R3 3.12599 -0.00002 -0.00185 -0.00341 -0.00526 3.12073 R4 3.45370 -0.00062 0.00088 0.00176 0.00264 3.45633 R5 1.79020 0.00005 0.00010 0.00002 0.00012 1.79032 R6 2.04011 -0.00003 -0.00000 -0.00016 -0.00016 2.03995 R7 2.50047 -0.00003 -0.00008 -0.00043 -0.00050 2.49997 R8 2.03570 0.00004 0.00021 0.00051 0.00072 2.03642 R9 2.86768 -0.00002 0.00098 0.00045 0.00143 2.86911 R10 2.04151 0.00002 -0.00007 0.00012 0.00005 2.04156 R11 2.70132 -0.00002 -0.00108 -0.00094 -0.00203 2.69929 R12 2.89416 -0.00001 -0.00053 -0.00135 -0.00186 2.89231 R13 2.66334 -0.00010 0.00049 0.00041 0.00087 2.66422 R14 2.05336 0.00003 -0.00004 -0.00014 -0.00018 2.05317 R15 2.87616 -0.00009 0.00023 0.00034 0.00057 2.87673 R16 2.89518 -0.00008 0.00030 0.00097 0.00126 2.89644 R17 2.05813 -0.00001 0.00011 0.00019 0.00030 2.05843 R18 2.05003 0.00001 -0.00003 -0.00017 -0.00020 2.04984 R19 2.05317 -0.00002 0.00005 0.00014 0.00019 2.05336 R20 2.03988 0.00004 -0.00011 0.00019 0.00009 2.03997 R21 2.87985 -0.00010 -0.00045 -0.00053 -0.00096 2.87889 R22 2.65497 -0.00001 0.00031 -0.00011 0.00020 2.65517 R23 2.05099 -0.00000 -0.00003 -0.00028 -0.00031 2.05068 R24 2.04757 -0.00001 0.00002 -0.00003 -0.00001 2.04756 R25 3.09307 -0.00041 -0.00005 -0.00140 -0.00146 3.09161 R26 2.78871 0.00009 0.00009 0.00008 0.00017 2.78888 R27 2.77748 -0.00006 0.00018 0.00010 0.00028 2.77776 R28 3.10806 0.00010 -0.00092 -0.00132 -0.00224 3.10583 R29 1.78963 0.00002 0.00007 0.00014 0.00021 1.78984 A1 2.14866 -0.00002 0.00026 -0.00011 0.00015 2.14881 A2 1.87447 0.00008 0.00002 -0.00013 -0.00011 1.87436 A3 1.89091 -0.00006 -0.00051 -0.00137 -0.00188 1.88903 A4 1.84784 0.00008 0.00008 0.00129 0.00136 1.84920 A5 1.90436 0.00001 -0.00014 0.00088 0.00074 1.90510 A6 1.75721 -0.00010 0.00036 -0.00062 -0.00026 1.75694 A7 1.85455 0.00004 0.00048 0.00141 0.00188 1.85643 A8 2.02975 -0.00012 -0.00124 -0.00390 -0.00514 2.02461 A9 2.14665 0.00008 0.00077 0.00241 0.00319 2.14984 A10 2.10636 0.00005 0.00049 0.00150 0.00200 2.10836 A11 2.05641 -0.00003 -0.00002 -0.00079 -0.00080 2.05560 A12 2.24928 0.00022 0.00101 0.00486 0.00588 2.25516 A13 1.97747 -0.00019 -0.00100 -0.00406 -0.00506 1.97241 A14 1.93637 -0.00002 -0.00094 -0.00291 -0.00387 1.93250 A15 1.88702 -0.00012 0.00129 -0.00055 0.00078 1.88780 A16 2.02262 0.00019 0.00010 0.00449 0.00462 2.02724 A17 1.87786 0.00005 -0.00100 -0.00132 -0.00230 1.87556 A18 1.91830 -0.00007 0.00097 0.00079 0.00178 1.92008 A19 1.81225 -0.00003 -0.00046 -0.00078 -0.00135 1.81090 A20 1.94437 -0.00002 -0.00060 -0.00042 -0.00128 1.94309 A21 1.88462 0.00005 -0.00129 -0.00195 -0.00322 1.88140 A22 1.91479 -0.00012 0.00118 0.00142 0.00266 1.91744 A23 1.84419 0.00004 0.00035 0.00092 0.00116 1.84535 A24 1.90682 0.00001 -0.00005 0.00004 -0.00003 1.90679 A25 1.90783 -0.00007 0.00152 0.00177 0.00332 1.91115 A26 2.00170 0.00009 -0.00172 -0.00221 -0.00389 1.99780 A27 1.93327 0.00002 -0.00049 -0.00036 -0.00085 1.93242 A28 1.92786 -0.00004 0.00016 -0.00044 -0.00028 1.92758 A29 1.92847 -0.00001 0.00059 0.00086 0.00145 1.92992 A30 1.89670 0.00002 -0.00017 -0.00009 -0.00026 1.89644 A31 1.88834 0.00000 -0.00019 -0.00020 -0.00039 1.88795 A32 1.88798 0.00002 0.00009 0.00023 0.00032 1.88830 A33 1.97189 -0.00001 0.00102 0.00152 0.00258 1.97447 A34 1.75708 0.00001 -0.00072 0.00057 -0.00020 1.75689 A35 1.94273 -0.00004 0.00017 -0.00085 -0.00068 1.94205 A36 1.98021 -0.00003 0.00045 -0.00009 0.00037 1.98058 A37 1.93705 0.00005 -0.00110 -0.00131 -0.00241 1.93463 A38 1.86565 0.00001 0.00020 0.00026 0.00049 1.86613 A39 1.77509 -0.00003 0.00075 0.00156 0.00221 1.77730 A40 1.93298 0.00002 0.00031 -0.00040 -0.00009 1.93289 A41 1.97055 -0.00001 -0.00053 -0.00053 -0.00100 1.96955 A42 1.92099 -0.00000 0.00011 0.00051 0.00064 1.92164 A43 1.95488 0.00001 0.00011 -0.00049 -0.00034 1.95454 A44 1.90651 0.00001 -0.00064 -0.00053 -0.00119 1.90532 A45 2.13723 -0.00022 0.00170 0.00049 0.00219 2.13942 A46 1.84661 0.00007 0.00020 -0.00012 0.00008 1.84669 A47 1.90988 -0.00006 0.00051 0.00032 0.00083 1.91071 A48 1.74618 -0.00017 0.00028 0.00002 0.00029 1.74647 A49 2.17408 0.00013 -0.00048 -0.00036 -0.00085 2.17323 A50 1.86173 0.00000 -0.00018 0.00048 0.00030 1.86203 A51 1.87833 -0.00003 -0.00017 -0.00025 -0.00042 1.87791 A52 1.86033 -0.00003 0.00001 0.00024 0.00025 1.86058 D1 2.65774 0.00022 -0.00217 0.00398 0.00181 2.65956 D2 0.33340 0.00014 -0.00256 0.00331 0.00075 0.33415 D3 -1.64893 0.00014 -0.00257 0.00216 -0.00041 -1.64934 D4 0.85277 0.00007 0.00209 0.00941 0.01149 0.86426 D5 -2.25768 0.00004 0.00099 0.00879 0.00978 -2.24790 D6 -3.05017 -0.00001 0.00189 0.00884 0.01073 -3.03944 D7 0.12257 -0.00003 0.00079 0.00822 0.00901 0.13158 D8 -1.11119 0.00004 0.00209 0.01029 0.01237 -1.09882 D9 2.06155 0.00002 0.00098 0.00967 0.01066 2.07221 D10 -0.03898 0.00002 0.00096 0.00020 0.00116 -0.03782 D11 3.11054 -0.00001 0.00119 -0.00201 -0.00082 3.10972 D12 3.13508 -0.00001 -0.00015 -0.00035 -0.00051 3.13458 D13 0.00142 -0.00004 0.00008 -0.00256 -0.00249 -0.00107 D14 1.55490 0.00018 0.01220 0.07140 0.08358 1.63848 D15 -2.67298 0.00015 0.01123 0.06781 0.07907 -2.59391 D16 -0.64831 0.00014 0.01159 0.06914 0.08070 -0.56761 D17 -1.57907 0.00015 0.01242 0.06926 0.08167 -1.49740 D18 0.47625 0.00012 0.01145 0.06567 0.07715 0.55340 D19 2.50091 0.00011 0.01181 0.06700 0.07878 2.57970 D20 1.79765 0.00016 -0.00930 -0.00920 -0.01851 1.77915 D21 -2.39305 0.00010 -0.01027 -0.01369 -0.02395 -2.41700 D22 -0.35993 0.00002 -0.00982 -0.01374 -0.02357 -0.38350 D23 0.69855 0.00005 0.00435 0.00444 0.00880 0.70735 D24 -1.41901 0.00009 0.00376 0.00347 0.00724 -1.41177 D25 2.89173 0.00008 0.00383 0.00320 0.00704 2.89876 D26 -1.51375 -0.00001 0.00471 0.00410 0.00879 -1.50495 D27 2.65187 0.00003 0.00413 0.00313 0.00724 2.65911 D28 0.67943 0.00002 0.00419 0.00286 0.00704 0.68646 D29 2.76489 -0.00002 0.00567 0.00567 0.01135 2.77624 D30 0.64732 0.00002 0.00509 0.00470 0.00980 0.65712 D31 -1.32512 0.00001 0.00515 0.00442 0.00959 -1.31553 D32 1.95551 -0.00007 0.01171 0.01868 0.03036 1.98587 D33 -2.25108 -0.00009 0.01157 0.01838 0.02993 -2.22116 D34 -0.08439 -0.00003 0.01038 0.01710 0.02748 -0.05691 D35 -3.11342 0.00001 -0.00186 -0.00221 -0.00412 -3.11754 D36 1.06734 -0.00000 -0.00143 -0.00158 -0.00305 1.06428 D37 -1.02107 0.00001 -0.00202 -0.00214 -0.00420 -1.02527 D38 -1.05056 0.00001 -0.00276 -0.00373 -0.00648 -1.05704 D39 3.13020 -0.00000 -0.00233 -0.00309 -0.00542 3.12478 D40 1.04179 0.00001 -0.00292 -0.00365 -0.00657 1.03522 D41 1.09792 -0.00002 -0.00203 -0.00295 -0.00494 1.09299 D42 -1.00450 -0.00003 -0.00160 -0.00232 -0.00387 -1.00838 D43 -3.09291 -0.00001 -0.00219 -0.00288 -0.00502 -3.09794 D44 0.49254 0.00004 -0.00652 -0.01332 -0.01987 0.47268 D45 -1.54858 0.00005 -0.00717 -0.01457 -0.02174 -1.57032 D46 2.59036 0.00003 -0.00618 -0.01321 -0.01941 2.57095 D47 -1.53159 -0.00000 -0.00594 -0.01239 -0.01833 -1.54992 D48 2.71047 0.00001 -0.00659 -0.01364 -0.02021 2.69026 D49 0.56622 -0.00001 -0.00560 -0.01227 -0.01787 0.54835 D50 2.60365 -0.00002 -0.00583 -0.01223 -0.01807 2.58558 D51 0.56253 -0.00001 -0.00648 -0.01348 -0.01995 0.54258 D52 -1.58172 -0.00003 -0.00549 -0.01211 -0.01761 -1.59933 D53 -0.68286 -0.00003 0.00091 0.00504 0.00601 -0.67686 D54 1.36694 -0.00002 0.00170 0.00562 0.00733 1.37427 D55 -2.79167 -0.00001 0.00103 0.00497 0.00603 -2.78563 D56 -2.79452 -0.00001 -0.00007 0.00292 0.00287 -2.79165 D57 -0.74472 -0.00000 0.00071 0.00349 0.00419 -0.74053 D58 1.37986 0.00001 0.00005 0.00284 0.00290 1.38276 D59 1.34770 -0.00006 0.00087 0.00445 0.00534 1.35304 D60 -2.88569 -0.00006 0.00165 0.00502 0.00666 -2.87902 D61 -0.76111 -0.00004 0.00099 0.00438 0.00537 -0.75574 D62 -1.65215 -0.00013 0.00153 0.00410 0.00561 -1.64654 D63 0.56024 -0.00013 0.00217 0.00445 0.00662 0.56686 D64 2.72792 -0.00013 0.00218 0.00368 0.00589 2.73381 D65 -3.07271 -0.00019 -0.00074 -0.00481 -0.00555 -3.07826 D66 0.82855 -0.00037 -0.00066 -0.00448 -0.00514 0.82341 D67 -1.14123 -0.00024 -0.00077 -0.00432 -0.00509 -1.14633 D68 -1.52776 0.00001 0.00007 0.00574 0.00580 -1.52196 D69 0.39183 0.00001 0.00033 0.00576 0.00609 0.39792 D70 2.76139 0.00016 -0.00056 0.00547 0.00491 2.76630 Item Value Threshold Converged? Maximum Force 0.000621 0.000450 NO RMS Force 0.000103 0.000300 YES Maximum Displacement 0.329395 0.001800 NO RMS Displacement 0.056077 0.001200 NO Predicted change in Energy=-3.672192D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.640057 1.877456 -0.682587 2 8 0 2.629032 1.789611 -1.777754 3 8 0 0.814057 0.725113 -0.240920 4 8 0 0.573984 3.076040 -1.075109 5 6 0 2.462445 2.619226 0.773003 6 1 0 3.015501 3.528416 0.591864 7 6 0 2.426558 2.077084 1.979207 8 1 0 1.854234 1.172929 2.106611 9 6 0 3.084184 2.549165 3.263653 10 1 0 2.403277 3.158258 3.840299 11 8 0 3.401799 1.399663 4.049849 12 6 0 4.771887 1.079568 3.960084 13 1 0 5.214929 1.238738 4.939292 14 6 0 4.936909 -0.381556 3.566018 15 6 0 4.427067 3.267151 3.109632 16 1 0 4.452381 3.943272 2.268471 17 6 0 5.367208 2.077677 2.960768 18 1 0 5.316302 1.686274 1.949921 19 1 0 6.393248 2.340483 3.189234 20 8 0 4.789859 3.929386 4.294537 21 1 0 5.991270 -0.650560 3.516210 22 1 0 4.485580 -0.565910 2.597025 23 1 0 4.455752 -1.029900 4.293220 24 15 0 4.451538 5.507763 4.560606 25 8 0 5.068528 5.837668 5.860033 26 8 0 3.048092 5.773413 4.213541 27 8 0 5.389527 6.201679 3.403084 28 1 0 6.246625 6.324490 3.786978 29 1 0 -0.243830 2.855405 -0.650770 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478236 0.000000 3 O 1.485005 2.605600 0.000000 4 O 1.651421 2.524249 2.506066 0.000000 5 C 1.829012 2.687447 2.707930 2.681508 0.000000 6 H 2.498347 2.964437 3.660381 2.990727 1.079495 7 C 2.782729 3.773380 3.058912 3.709284 1.322926 8 H 2.884762 4.008603 2.606416 3.922271 2.059176 9 C 4.255526 5.118581 4.556608 5.040194 2.568036 10 H 4.762295 5.786768 5.010206 5.245409 3.114862 11 O 5.072275 5.891535 5.055900 6.088676 3.620420 12 C 5.656799 6.165937 5.782602 6.852844 4.226294 13 H 6.692771 7.218658 6.816602 7.815821 5.180721 14 C 5.832925 6.212581 5.719737 7.247768 4.788381 15 C 4.907097 5.413187 5.544546 5.691645 3.120798 16 H 4.570067 4.933032 5.467266 5.193611 2.819463 17 C 5.215916 5.480345 5.728125 6.345080 3.676580 18 H 4.525641 4.596484 5.098414 5.794121 3.224909 19 H 6.148026 6.256497 6.745573 7.251862 4.622455 20 O 6.237262 6.791210 6.829695 6.880037 4.419794 21 H 6.553916 6.729423 6.543091 8.019648 5.537986 22 H 4.982258 5.304144 4.816716 6.484517 4.191089 23 H 6.414009 6.938536 6.074573 7.793962 5.448057 24 P 6.969549 7.571062 7.691531 7.260164 5.161983 25 O 8.381143 8.981854 9.025539 8.713421 6.559567 26 O 6.413510 7.207074 7.093551 6.431707 4.704167 27 O 7.032079 7.343552 8.012893 7.281022 5.321570 28 H 7.808559 8.038554 8.780078 8.146851 6.093689 29 H 2.122835 3.264865 2.413554 0.947398 3.067056 6 7 8 9 10 6 H 0.000000 7 C 2.092353 0.000000 8 H 3.031718 1.077628 0.000000 9 C 2.846420 1.518267 2.178429 0.000000 10 H 3.326284 2.152474 2.692333 1.080347 0.000000 11 O 4.079029 2.386955 2.494503 1.428405 2.033129 12 C 4.519586 3.227923 3.457858 2.343731 3.153667 13 H 5.383329 4.152100 4.395757 3.010823 3.577391 14 C 5.274968 3.855482 3.748224 3.480394 4.361743 15 C 2.898264 2.587693 3.465730 1.530542 2.154404 16 H 2.246719 2.769530 3.801496 2.192233 2.699207 17 C 3.639626 3.100143 3.726814 2.350796 3.275076 18 H 3.245226 2.916198 3.503426 2.729986 3.771734 19 H 4.423426 4.155500 4.810188 3.316473 4.124623 20 O 4.125399 3.791698 4.582900 2.424265 2.548871 21 H 5.905154 4.744428 4.735732 4.330494 5.242692 22 H 4.790127 3.406859 3.191873 3.480230 4.444226 23 H 6.045876 4.373287 4.049891 3.968743 4.685986 24 P 4.661645 4.746970 5.617727 3.507854 3.199123 25 O 6.107469 6.015215 6.795561 4.636061 4.285105 26 O 4.261176 4.363646 5.198933 3.361452 2.719215 27 O 4.548109 5.274362 6.282313 4.321446 4.286170 28 H 5.335443 5.991779 6.975336 4.952573 4.979878 29 H 3.552509 3.827993 3.851720 5.147054 5.221935 11 12 13 14 15 11 O 0.000000 12 C 1.409843 0.000000 13 H 2.025942 1.086493 0.000000 14 C 2.400707 1.522303 2.142085 0.000000 15 C 2.328668 2.372275 2.843034 3.712317 0.000000 16 H 3.278259 3.341323 3.876759 4.541204 1.079505 17 C 2.347048 1.532730 2.154429 2.568913 1.523443 18 H 2.856075 2.169155 3.024384 2.651722 2.152867 19 H 3.251856 2.193839 2.380122 3.110047 2.175068 20 O 2.895874 2.869433 2.799282 4.374539 1.405053 21 H 3.345675 2.162698 2.489441 1.089276 4.237983 22 H 2.673715 2.155806 3.045475 1.084726 3.867629 23 H 2.659478 2.158884 2.477998 1.086593 4.457169 24 P 4.270750 4.480196 4.353245 5.992401 2.669506 25 O 5.074509 5.131989 4.692478 6.630127 3.818866 26 O 4.391081 5.006784 5.077910 6.470747 3.066192 27 O 5.237244 5.189195 5.198192 6.600787 3.102240 28 H 5.693510 5.451057 5.315740 6.836317 3.621728 29 H 6.124183 7.040667 7.978750 7.422888 6.010610 16 17 18 19 20 16 H 0.000000 17 C 2.190121 0.000000 18 H 2.437596 1.085172 0.000000 19 H 2.680243 1.083523 1.767399 0.000000 20 O 2.054027 2.353954 3.287235 2.513397 0.000000 21 H 5.002832 2.853287 2.893033 3.035596 4.798447 22 H 4.521258 2.810361 2.486198 3.526618 4.814751 23 H 5.369550 3.501888 3.689065 4.041307 4.970528 24 P 2.775159 3.894024 4.708212 3.960121 1.636009 25 O 4.107029 4.757361 5.708277 4.595471 2.483943 26 O 3.017406 4.539407 5.193597 4.901457 2.537863 27 O 2.695549 4.147714 4.744040 3.995249 2.513484 28 H 3.345948 4.414909 5.074773 4.031266 2.848913 29 H 5.635586 6.718022 6.248642 7.685154 7.137754 21 22 23 24 25 21 H 0.000000 22 H 1.766117 0.000000 23 H 1.762231 1.758765 0.000000 24 P 6.433232 6.383284 6.543130 0.000000 25 O 6.960033 7.210608 7.070636 1.475813 0.000000 26 O 7.100422 6.698247 6.947872 1.469927 2.607149 27 O 6.879540 6.875108 7.345748 1.643533 2.504424 28 H 6.984973 7.210748 7.586209 2.118462 2.433611 29 H 8.278405 6.679887 7.850141 7.499328 8.916591 26 27 28 29 26 O 0.000000 27 O 2.514472 0.000000 28 H 3.273570 0.947141 0.000000 29 H 6.558433 7.704933 8.593845 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.703319 -0.669220 0.158998 2 8 0 -4.109730 -0.622893 1.579513 3 8 0 -4.292205 0.210416 -0.882488 4 8 0 -3.933970 -2.216441 -0.370242 5 6 0 -1.879634 -0.553263 0.081450 6 1 0 -1.334831 -1.224737 0.727687 7 6 0 -1.241432 0.315263 -0.685685 8 1 0 -1.833275 0.957743 -1.316733 9 6 0 0.251047 0.554759 -0.828106 10 1 0 0.653476 -0.018618 -1.650564 11 8 0 0.453588 1.936317 -1.129132 12 6 0 0.872438 2.653383 0.010183 13 1 0 1.889467 2.992495 -0.166230 14 6 0 -0.029772 3.861137 0.221728 15 6 0 1.093556 0.328966 0.429573 16 1 0 0.787786 -0.538482 0.994699 17 6 0 0.862487 1.643850 1.163443 18 1 0 -0.104790 1.631523 1.655195 19 1 0 1.633353 1.838468 1.899588 20 8 0 2.463050 0.267757 0.121490 21 1 0 0.296478 4.439342 1.085303 22 1 0 -1.054716 3.544757 0.383049 23 1 0 -0.008374 4.510957 -0.648881 24 15 0 3.243223 -1.144863 -0.147511 25 8 0 4.661740 -0.789245 -0.345929 26 8 0 2.454649 -1.971892 -1.072097 27 8 0 3.131196 -1.823641 1.345107 28 1 0 3.875294 -1.511364 1.840966 29 1 0 -4.097110 -2.158436 -1.301683 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5697301 0.1957255 0.1623336 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.3292706699 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.91D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999974 0.005472 0.001169 -0.004507 Ang= 0.82 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57149668 A.U. after 12 cycles NFock= 12 Conv=0.37D-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 15 0.001606660 -0.000407106 0.001059004 2 8 0.000001182 0.000033412 0.000109689 3 8 -0.000104789 -0.000239874 0.000032960 4 8 -0.000967379 0.000821377 -0.000519298 5 6 -0.000533543 -0.000389442 -0.001169298 6 1 0.000100055 -0.000056732 0.000108705 7 6 -0.000095919 -0.000070808 0.000917086 8 1 -0.000097250 0.000135109 -0.000038538 9 6 -0.000356667 0.000386643 -0.000626132 10 1 0.000057237 0.000077646 0.000036833 11 8 0.000277135 -0.000949721 -0.000489065 12 6 -0.000275586 -0.000000157 0.000005288 13 1 0.000234174 0.000192957 -0.000108802 14 6 -0.000039222 -0.000075434 0.000202346 15 6 -0.000136160 0.000567409 0.000211320 16 1 -0.000162413 -0.000067431 -0.000114054 17 6 0.000448762 -0.000036347 -0.000020309 18 1 -0.000100857 0.000019702 0.000057548 19 1 -0.000000627 0.000048655 0.000038315 20 8 0.000217234 -0.000194787 0.000170951 21 1 -0.000082768 0.000006668 0.000011218 22 1 -0.000030437 0.000020527 -0.000002300 23 1 -0.000026862 0.000104340 -0.000009885 24 15 -0.000809069 -0.000238270 0.000772657 25 8 0.000061995 -0.000037190 0.000005299 26 8 0.000115428 -0.000124482 -0.000265804 27 8 0.000647933 0.000385595 -0.000558936 28 1 -0.000063362 -0.000081453 -0.000069271 29 1 0.000115113 0.000169194 0.000252470 ------------------------------------------------------------------- Cartesian Forces: Max 0.001606660 RMS 0.000399273 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001332544 RMS 0.000218114 Search for a local minimum. Step number 19 out of a maximum of 161 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 19 DE= -3.96D-05 DEPred=-3.67D-05 R= 1.08D+00 TightC=F SS= 1.41D+00 RLast= 2.20D-01 DXNew= 2.5586D+00 6.6007D-01 Trust test= 1.08D+00 RLast= 2.20D-01 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00063 0.00232 0.00292 0.00357 0.00988 Eigenvalues --- 0.01077 0.02402 0.02781 0.03086 0.03200 Eigenvalues --- 0.03583 0.04187 0.04361 0.04421 0.04750 Eigenvalues --- 0.05112 0.05182 0.05498 0.05524 0.05543 Eigenvalues --- 0.05826 0.06572 0.06611 0.07645 0.07968 Eigenvalues --- 0.08412 0.08468 0.11824 0.13609 0.14570 Eigenvalues --- 0.15305 0.15614 0.15895 0.15988 0.16006 Eigenvalues --- 0.16011 0.16123 0.16137 0.16476 0.17255 Eigenvalues --- 0.18947 0.19303 0.20279 0.20641 0.20858 Eigenvalues --- 0.21559 0.21907 0.23047 0.24583 0.25590 Eigenvalues --- 0.25898 0.26147 0.28606 0.28789 0.29468 Eigenvalues --- 0.30106 0.32474 0.33499 0.33597 0.33616 Eigenvalues --- 0.33750 0.34101 0.34359 0.34616 0.34851 Eigenvalues --- 0.36181 0.37373 0.39150 0.42976 0.45610 Eigenvalues --- 0.45956 0.48334 0.54283 0.55201 0.59412 Eigenvalues --- 0.61825 0.66253 0.67574 0.80420 0.99005 Eigenvalues --- 1.01205 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 19 18 17 16 15 14 13 12 11 10 RFO step: Lambda=-3.96965959D-05. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. RFO-DIIS uses 4 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 2.09810 -2.00000 0.05028 0.85162 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.03327217 RMS(Int)= 0.00064254 Iteration 2 RMS(Cart)= 0.00087318 RMS(Int)= 0.00005101 Iteration 3 RMS(Cart)= 0.00000046 RMS(Int)= 0.00005101 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79346 -0.00008 0.00007 0.00018 0.00026 2.79372 R2 2.80625 0.00025 -0.00035 0.00017 -0.00018 2.80608 R3 3.12073 0.00133 -0.00139 -0.00039 -0.00178 3.11895 R4 3.45633 -0.00119 -0.00021 0.00014 -0.00007 3.45626 R5 1.79032 -0.00003 0.00015 -0.00010 0.00005 1.79037 R6 2.03995 -0.00001 -0.00005 0.00008 0.00003 2.03998 R7 2.49997 0.00009 -0.00024 0.00003 -0.00021 2.49976 R8 2.03642 -0.00007 0.00023 0.00007 0.00030 2.03672 R9 2.86911 -0.00065 0.00034 -0.00062 -0.00028 2.86883 R10 2.04156 0.00003 0.00011 -0.00010 0.00001 2.04157 R11 2.69929 0.00036 -0.00032 0.00050 0.00018 2.69948 R12 2.89231 0.00011 -0.00036 -0.00028 -0.00068 2.89163 R13 2.66422 -0.00017 0.00012 0.00007 0.00024 2.66446 R14 2.05317 0.00003 0.00004 -0.00015 -0.00011 2.05307 R15 2.87673 -0.00013 -0.00016 0.00024 0.00008 2.87682 R16 2.89644 0.00006 -0.00009 0.00060 0.00055 2.89699 R17 2.05843 -0.00008 0.00003 0.00001 0.00004 2.05847 R18 2.04984 0.00001 -0.00000 -0.00011 -0.00011 2.04972 R19 2.05336 -0.00006 -0.00000 0.00005 0.00005 2.05342 R20 2.03997 0.00004 0.00008 0.00010 0.00018 2.04015 R21 2.87889 0.00020 -0.00064 0.00071 0.00004 2.87893 R22 2.65517 -0.00005 -0.00009 0.00037 0.00028 2.65545 R23 2.05068 -0.00006 -0.00004 -0.00015 -0.00019 2.05049 R24 2.04756 0.00002 0.00003 -0.00002 0.00001 2.04757 R25 3.09161 -0.00010 -0.00116 0.00002 -0.00114 3.09047 R26 2.78888 0.00002 0.00010 -0.00005 0.00005 2.78893 R27 2.77776 -0.00007 -0.00006 0.00012 0.00006 2.77782 R28 3.10583 0.00090 -0.00044 0.00008 -0.00036 3.10547 R29 1.78984 -0.00010 0.00001 0.00010 0.00012 1.78995 A1 2.14881 -0.00002 -0.00012 0.00009 -0.00002 2.14879 A2 1.87436 0.00010 -0.00012 0.00001 -0.00011 1.87425 A3 1.88903 0.00003 -0.00038 -0.00040 -0.00078 1.88825 A4 1.84920 0.00008 0.00029 0.00134 0.00163 1.85083 A5 1.90510 -0.00001 0.00053 -0.00043 0.00010 1.90520 A6 1.75694 -0.00023 -0.00023 -0.00073 -0.00097 1.75597 A7 1.85643 -0.00001 0.00082 0.00063 0.00145 1.85788 A8 2.02461 0.00016 -0.00170 -0.00050 -0.00219 2.02241 A9 2.14984 -0.00006 0.00112 0.00108 0.00220 2.15203 A10 2.10836 -0.00010 0.00061 -0.00060 0.00002 2.10838 A11 2.05560 -0.00000 0.00000 -0.00013 -0.00013 2.05548 A12 2.25516 -0.00013 0.00197 0.00026 0.00223 2.25739 A13 1.97241 0.00013 -0.00196 -0.00012 -0.00209 1.97032 A14 1.93250 -0.00003 -0.00081 -0.00208 -0.00286 1.92963 A15 1.88780 -0.00024 -0.00062 -0.00018 -0.00086 1.88695 A16 2.02724 0.00033 0.00195 0.00183 0.00373 2.03098 A17 1.87556 0.00018 -0.00014 0.00048 0.00030 1.87587 A18 1.92008 -0.00016 -0.00020 -0.00044 -0.00066 1.91942 A19 1.81090 -0.00009 -0.00030 0.00052 0.00036 1.81127 A20 1.94309 0.00003 -0.00058 0.00008 -0.00010 1.94300 A21 1.88140 0.00013 0.00016 -0.00073 -0.00060 1.88079 A22 1.91744 -0.00033 -0.00014 0.00045 0.00021 1.91765 A23 1.84535 0.00009 -0.00027 0.00040 0.00032 1.84567 A24 1.90679 0.00001 0.00020 0.00007 0.00030 1.90709 A25 1.91115 -0.00028 0.00059 -0.00035 0.00020 1.91136 A26 1.99780 0.00037 -0.00050 0.00010 -0.00047 1.99734 A27 1.93242 0.00005 -0.00008 -0.00007 -0.00015 1.93228 A28 1.92758 -0.00003 -0.00024 -0.00008 -0.00032 1.92726 A29 1.92992 -0.00013 0.00026 0.00001 0.00027 1.93019 A30 1.89644 0.00001 0.00009 -0.00002 0.00007 1.89651 A31 1.88795 0.00004 -0.00011 0.00005 -0.00006 1.88790 A32 1.88830 0.00005 0.00008 0.00011 0.00019 1.88849 A33 1.97447 -0.00005 0.00034 0.00006 0.00034 1.97481 A34 1.75689 0.00003 0.00007 0.00058 0.00073 1.75762 A35 1.94205 -0.00008 -0.00084 -0.00099 -0.00182 1.94023 A36 1.98058 -0.00004 0.00037 0.00067 0.00101 1.98159 A37 1.93463 0.00010 0.00020 -0.00092 -0.00070 1.93393 A38 1.86613 0.00003 -0.00021 0.00078 0.00055 1.86668 A39 1.77730 -0.00004 -0.00063 0.00101 0.00058 1.77788 A40 1.93289 0.00000 0.00010 -0.00074 -0.00065 1.93224 A41 1.96955 0.00002 0.00012 -0.00022 -0.00019 1.96936 A42 1.92164 -0.00006 0.00006 0.00075 0.00076 1.92240 A43 1.95454 0.00003 0.00029 -0.00051 -0.00028 1.95426 A44 1.90532 0.00004 0.00001 -0.00021 -0.00016 1.90516 A45 2.13942 -0.00070 -0.00081 -0.00085 -0.00166 2.13776 A46 1.84669 0.00006 0.00043 -0.00045 -0.00003 1.84666 A47 1.91071 -0.00012 -0.00038 -0.00024 -0.00062 1.91009 A48 1.74647 -0.00025 -0.00057 0.00076 0.00019 1.74666 A49 2.17323 0.00025 0.00060 -0.00041 0.00019 2.17342 A50 1.86203 -0.00001 0.00004 0.00045 0.00049 1.86252 A51 1.87791 -0.00003 -0.00037 0.00018 -0.00019 1.87772 A52 1.86058 0.00001 -0.00026 0.00066 0.00040 1.86098 D1 2.65956 0.00023 0.00504 0.00773 0.01277 2.67233 D2 0.33415 0.00013 0.00506 0.00667 0.01174 0.34589 D3 -1.64934 0.00020 0.00448 0.00699 0.01147 -1.63787 D4 0.86426 -0.00004 0.00270 0.00406 0.00676 0.87102 D5 -2.24790 0.00002 0.00145 0.00447 0.00592 -2.24198 D6 -3.03944 -0.00005 0.00267 0.00348 0.00615 -3.03329 D7 0.13158 0.00001 0.00142 0.00389 0.00531 0.13690 D8 -1.09882 -0.00006 0.00306 0.00450 0.00757 -1.09125 D9 2.07221 0.00000 0.00181 0.00491 0.00672 2.07893 D10 -0.03782 -0.00002 0.00120 0.00097 0.00217 -0.03565 D11 3.10972 -0.00009 -0.00039 -0.00220 -0.00260 3.10712 D12 3.13458 0.00004 -0.00008 0.00139 0.00132 3.13589 D13 -0.00107 -0.00002 -0.00167 -0.00178 -0.00345 -0.00452 D14 1.63848 0.00015 0.02259 0.03354 0.05613 1.69461 D15 -2.59391 0.00021 0.02159 0.03284 0.05437 -2.53953 D16 -0.56761 0.00012 0.02197 0.03448 0.05650 -0.51111 D17 -1.49740 0.00009 0.02105 0.03049 0.05155 -1.44585 D18 0.55340 0.00015 0.02006 0.02979 0.04979 0.60319 D19 2.57970 0.00006 0.02044 0.03143 0.05192 2.63161 D20 1.77915 0.00025 0.00201 0.00083 0.00285 1.78200 D21 -2.41700 0.00019 0.00063 -0.00147 -0.00084 -2.41784 D22 -0.38350 0.00003 0.00021 -0.00151 -0.00128 -0.38478 D23 0.70735 0.00007 0.00115 -0.00150 -0.00035 0.70699 D24 -1.41177 0.00012 0.00050 -0.00268 -0.00217 -1.41395 D25 2.89876 0.00010 0.00101 -0.00349 -0.00249 2.89628 D26 -1.50495 -0.00002 0.00084 0.00027 0.00113 -1.50382 D27 2.65911 0.00003 0.00019 -0.00091 -0.00069 2.65842 D28 0.68646 0.00001 0.00070 -0.00172 -0.00101 0.68546 D29 2.77624 -0.00011 0.00125 -0.00036 0.00088 2.77712 D30 0.65712 -0.00005 0.00060 -0.00154 -0.00094 0.65618 D31 -1.31553 -0.00008 0.00111 -0.00235 -0.00125 -1.31678 D32 1.98587 -0.00024 -0.00013 0.00321 0.00313 1.98899 D33 -2.22116 -0.00034 0.00011 0.00311 0.00326 -2.21790 D34 -0.05691 -0.00002 -0.00073 0.00375 0.00302 -0.05390 D35 -3.11754 0.00007 -0.00172 0.00047 -0.00118 -3.11871 D36 1.06428 0.00003 -0.00163 0.00060 -0.00096 1.06332 D37 -1.02527 0.00007 -0.00175 0.00050 -0.00117 -1.02644 D38 -1.05704 0.00004 -0.00150 -0.00011 -0.00160 -1.05864 D39 3.12478 0.00000 -0.00140 0.00002 -0.00139 3.12339 D40 1.03522 0.00004 -0.00152 -0.00007 -0.00159 1.03363 D41 1.09299 -0.00006 -0.00093 -0.00044 -0.00144 1.09155 D42 -1.00838 -0.00010 -0.00083 -0.00031 -0.00122 -1.00960 D43 -3.09794 -0.00005 -0.00095 -0.00040 -0.00143 -3.09936 D44 0.47268 -0.00000 0.00092 -0.00455 -0.00360 0.46908 D45 -1.57032 0.00008 0.00113 -0.00563 -0.00451 -1.57483 D46 2.57095 0.00002 0.00093 -0.00465 -0.00368 2.56727 D47 -1.54992 -0.00006 0.00058 -0.00375 -0.00317 -1.55310 D48 2.69026 0.00002 0.00079 -0.00483 -0.00408 2.68618 D49 0.54835 -0.00004 0.00060 -0.00385 -0.00325 0.54510 D50 2.58558 -0.00013 0.00024 -0.00365 -0.00339 2.58219 D51 0.54258 -0.00004 0.00045 -0.00473 -0.00430 0.53828 D52 -1.59933 -0.00010 0.00026 -0.00374 -0.00347 -1.60280 D53 -0.67686 0.00001 -0.00084 0.00360 0.00269 -0.67417 D54 1.37427 -0.00003 -0.00101 0.00360 0.00257 1.37684 D55 -2.78563 -0.00000 -0.00075 0.00351 0.00270 -2.78293 D56 -2.79165 0.00007 -0.00147 0.00285 0.00133 -2.79032 D57 -0.74053 0.00003 -0.00164 0.00285 0.00122 -0.73931 D58 1.38276 0.00005 -0.00139 0.00276 0.00135 1.38411 D59 1.35304 -0.00005 -0.00181 0.00304 0.00119 1.35423 D60 -2.87902 -0.00010 -0.00198 0.00303 0.00107 -2.87795 D61 -0.75574 -0.00007 -0.00173 0.00294 0.00121 -0.75453 D62 -1.64654 -0.00014 -0.00655 -0.00044 -0.00694 -1.65349 D63 0.56686 -0.00019 -0.00658 -0.00184 -0.00843 0.55844 D64 2.73381 -0.00016 -0.00614 -0.00107 -0.00725 2.72656 D65 -3.07826 -0.00011 -0.01030 -0.00592 -0.01622 -3.09448 D66 0.82341 -0.00038 -0.01114 -0.00482 -0.01597 0.80744 D67 -1.14633 -0.00019 -0.01034 -0.00529 -0.01563 -1.16195 D68 -1.52196 -0.00003 0.00213 0.00456 0.00669 -1.51527 D69 0.39792 -0.00006 0.00239 0.00449 0.00688 0.40480 D70 2.76630 0.00022 0.00292 0.00444 0.00736 2.77365 Item Value Threshold Converged? Maximum Force 0.001333 0.000450 NO RMS Force 0.000218 0.000300 YES Maximum Displacement 0.186453 0.001800 NO RMS Displacement 0.033456 0.001200 NO Predicted change in Energy=-1.213861D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.631348 1.849504 -0.668975 2 8 0 2.625906 1.690944 -1.751240 3 8 0 0.750785 0.746153 -0.208338 4 8 0 0.626237 3.085633 -1.100030 5 6 0 2.473525 2.588720 0.776516 6 1 0 3.062952 3.471049 0.577991 7 6 0 2.409437 2.076865 1.994603 8 1 0 1.802133 1.198217 2.138774 9 6 0 3.079472 2.547846 3.272851 10 1 0 2.400276 3.151710 3.856977 11 8 0 3.408545 1.396654 4.052007 12 6 0 4.779277 1.082708 3.949318 13 1 0 5.228754 1.237164 4.926281 14 6 0 4.947361 -0.374971 3.543784 15 6 0 4.417101 3.273228 3.111511 16 1 0 4.432552 3.953612 2.273434 17 6 0 5.363258 2.089897 2.951978 18 1 0 5.309905 1.702581 1.939794 19 1 0 6.388849 2.357740 3.176610 20 8 0 4.782642 3.933194 4.297014 21 1 0 6.002497 -0.638676 3.482822 22 1 0 4.488378 -0.554378 2.577530 23 1 0 4.475682 -1.030696 4.270620 24 15 0 4.443845 5.510611 4.564450 25 8 0 5.043521 5.834233 5.873555 26 8 0 3.045591 5.779435 4.199205 27 8 0 5.398107 6.207298 3.422264 28 1 0 6.252116 6.321768 3.815654 29 1 0 -0.202052 2.919956 -0.670958 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478372 0.000000 3 O 1.484911 2.605620 0.000000 4 O 1.650476 2.523472 2.506750 0.000000 5 C 1.828974 2.686778 2.707918 2.679705 0.000000 6 H 2.496763 2.963968 3.659165 2.983602 1.079509 7 C 2.784199 3.771887 3.061840 3.711356 1.322815 8 H 2.887352 4.006694 2.611250 3.928730 2.059129 9 C 4.257081 5.116786 4.559337 5.042784 2.569151 10 H 4.771922 5.799728 5.003429 5.265311 3.132342 11 O 5.064699 5.863174 5.063336 6.094044 3.608896 12 C 5.641460 6.123996 5.798976 6.837790 4.201338 13 H 6.680059 7.181227 6.830637 7.804898 5.161254 14 C 5.804444 6.139580 5.739911 7.225850 4.749853 15 C 4.907085 5.418334 5.554221 5.669472 3.114200 16 H 4.575126 4.957987 5.477443 5.159619 2.818063 17 C 5.205405 5.456421 5.750491 6.312656 3.651304 18 H 4.512100 4.563740 5.129795 5.752400 3.191161 19 H 6.138456 6.236030 6.770735 7.212986 4.598214 20 O 6.239669 6.801513 6.834566 6.864557 4.419677 21 H 6.521917 6.650106 6.566802 7.986062 5.494891 22 H 4.947834 5.220012 4.839632 6.456799 4.145160 23 H 6.386344 6.862347 6.090412 7.785003 5.414570 24 P 6.978724 7.601493 7.688840 7.248516 5.173785 25 O 8.386042 9.008286 9.016960 8.700465 6.566433 26 O 6.414329 7.231853 7.072941 6.418079 4.714098 27 O 7.065202 7.405923 8.037597 7.277821 5.352314 28 H 7.839932 8.098409 8.805943 8.141685 6.119621 29 H 2.123024 3.267236 2.418127 0.947425 3.060001 6 7 8 9 10 6 H 0.000000 7 C 2.092276 0.000000 8 H 3.031744 1.077787 0.000000 9 C 2.848657 1.518120 2.176975 0.000000 10 H 3.360486 2.150305 2.669481 1.080352 0.000000 11 O 4.060952 2.386172 2.506072 1.428501 2.033437 12 C 4.473901 3.228840 3.486373 2.343837 3.154194 13 H 5.346827 4.153118 4.417402 3.011832 3.578992 14 C 5.209491 3.853897 3.787008 3.479263 4.361561 15 C 2.879509 2.590267 3.477059 1.530184 2.153618 16 H 2.232307 2.773611 3.811749 2.192222 2.698296 17 C 3.582569 3.105125 3.760054 2.351246 3.275016 18 H 3.167141 2.925032 3.549428 2.732462 3.773792 19 H 4.365073 4.160740 4.843507 3.316230 4.123349 20 O 4.123353 3.791986 4.584924 2.422579 2.545588 21 H 5.828277 4.743316 4.777416 4.329213 5.242425 22 H 4.715300 3.403710 3.237284 3.477396 4.442099 23 H 5.991412 4.371106 4.081750 3.968741 4.687315 24 P 4.685993 4.746951 5.608858 3.508236 3.200174 25 O 6.127829 6.008535 6.778483 4.628336 4.271916 26 O 4.294431 4.355914 5.174854 3.361911 2.727360 27 O 4.585836 5.294416 6.298354 4.334741 4.302625 28 H 5.364683 6.008461 6.990354 4.960120 4.988752 29 H 3.538902 3.825688 3.856908 5.143977 5.227620 11 12 13 14 15 11 O 0.000000 12 C 1.409969 0.000000 13 H 2.025575 1.086436 0.000000 14 C 2.401021 1.522347 2.142303 0.000000 15 C 2.328787 2.373071 2.845651 3.711791 0.000000 16 H 3.278711 3.342289 3.879513 4.540424 1.079599 17 C 2.347669 1.533020 2.154789 2.568809 1.523462 18 H 2.858357 2.168870 3.023625 2.649613 2.153358 19 H 3.251495 2.193970 2.379677 3.111337 2.174890 20 O 2.895204 2.871615 2.804206 4.376617 1.405203 21 H 3.345912 2.162649 2.490186 1.089298 4.237257 22 H 2.673321 2.155569 3.045392 1.084665 3.865331 23 H 2.660564 2.159139 2.477942 1.086622 4.457659 24 P 4.273066 4.482993 4.359972 5.994612 2.667889 25 O 5.067869 5.133176 4.697306 6.632594 3.818382 26 O 4.400247 5.012719 5.091863 6.474799 3.056991 27 O 5.243780 5.188656 5.195477 6.598804 3.109294 28 H 5.691969 5.443791 5.304145 6.828076 3.627216 29 H 6.137040 7.038187 7.978379 7.425433 5.980673 16 17 18 19 20 16 H 0.000000 17 C 2.190906 0.000000 18 H 2.438894 1.085070 0.000000 19 H 2.681349 1.083530 1.767220 0.000000 20 O 2.053743 2.354566 3.287876 2.513417 0.000000 21 H 5.001646 2.852286 2.888271 3.036700 4.801349 22 H 4.518580 2.810306 2.485052 3.528615 4.814719 23 H 5.369724 3.502100 3.687748 4.042099 4.973442 24 P 2.770041 3.891872 4.705313 3.955975 1.635405 25 O 4.107420 4.760031 5.711041 4.601024 2.483443 26 O 2.994309 4.532091 5.181968 4.891939 2.536832 27 O 2.707621 4.144318 4.743203 3.982589 2.513073 28 H 3.361164 4.409618 5.073805 4.017535 2.845408 29 H 5.587257 6.692335 6.219300 7.652440 7.110174 21 22 23 24 25 21 H 0.000000 22 H 1.766131 0.000000 23 H 1.762234 1.758862 0.000000 24 P 6.435297 6.382314 6.547980 0.000000 25 O 6.966620 7.210154 7.072417 1.475839 0.000000 26 O 7.102721 6.695420 6.959033 1.469961 2.607331 27 O 6.872869 6.874696 7.345688 1.643343 2.504743 28 H 6.972867 7.205908 7.577693 2.118611 2.435847 29 H 8.271287 6.680105 7.868167 7.463602 8.879172 26 27 28 29 26 O 0.000000 27 O 2.514166 0.000000 28 H 3.274605 0.947202 0.000000 29 H 6.514775 7.676123 8.564946 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.705161 -0.668789 0.152659 2 8 0 -4.132299 -0.548071 1.562823 3 8 0 -4.287561 0.145566 -0.943971 4 8 0 -3.909954 -2.245137 -0.291480 5 6 0 -1.881858 -0.536866 0.095115 6 1 0 -1.341724 -1.170884 0.781860 7 6 0 -1.238957 0.298411 -0.704151 8 1 0 -1.826412 0.904715 -1.374164 9 6 0 0.252589 0.549005 -0.835235 10 1 0 0.661939 -0.019285 -1.657816 11 8 0 0.446079 1.932975 -1.131555 12 6 0 0.854734 2.649880 0.011713 13 1 0 1.868735 2.999499 -0.161230 14 6 0 -0.060031 3.847764 0.225771 15 6 0 1.092563 0.325035 0.424028 16 1 0 0.791926 -0.546879 0.985203 17 6 0 0.851779 1.636090 1.161657 18 1 0 -0.115388 1.616181 1.653154 19 1 0 1.621120 1.833841 1.898572 20 8 0 2.462899 0.273154 0.117301 21 1 0 0.257702 4.424982 1.093201 22 1 0 -1.082171 3.520277 0.382238 23 1 0 -0.042233 4.502041 -0.641610 24 15 0 3.251595 -1.135326 -0.144791 25 8 0 4.664194 -0.769853 -0.366357 26 8 0 2.457726 -1.979652 -1.049043 27 8 0 3.164597 -1.797300 1.356807 28 1 0 3.908834 -1.468235 1.841593 29 1 0 -4.049211 -2.243891 -1.228614 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5724077 0.1953433 0.1623404 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.5302404516 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.88D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999990 0.004213 0.000181 -0.001771 Ang= 0.52 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57155032 A.U. after 11 cycles NFock= 11 Conv=0.66D-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 15 0.002032033 -0.000929309 0.001245526 2 8 -0.000150435 0.000105879 0.000105670 3 8 -0.000153030 -0.000160972 0.000008087 4 8 -0.001206346 0.001122510 -0.000671457 5 6 -0.000602221 -0.000165736 -0.001197607 6 1 0.000117316 -0.000135996 0.000125029 7 6 0.000076806 -0.000274750 0.001077712 8 1 -0.000104844 0.000182026 -0.000099079 9 6 -0.000448002 0.000436174 -0.000896545 10 1 0.000077480 0.000063861 0.000151501 11 8 0.000269893 -0.000909685 -0.000493814 12 6 -0.000352833 0.000108549 -0.000034569 13 1 0.000274513 0.000180267 -0.000070938 14 6 -0.000022827 -0.000047236 0.000225584 15 6 -0.000125231 0.000599140 0.000159282 16 1 -0.000121693 -0.000189244 -0.000043434 17 6 0.000451086 -0.000094672 -0.000001484 18 1 -0.000113065 0.000081447 0.000014524 19 1 0.000002679 0.000041973 0.000044417 20 8 0.000256125 -0.000571811 0.000143180 21 1 -0.000091655 0.000003949 0.000013241 22 1 -0.000041624 0.000015382 -0.000016141 23 1 -0.000035207 0.000128673 -0.000015709 24 15 -0.001042115 -0.000091513 0.001118382 25 8 0.000116030 0.000030076 -0.000099721 26 8 0.000157462 -0.000051647 -0.000268031 27 8 0.000786485 0.000434037 -0.000663933 28 1 -0.000131472 -0.000063389 -0.000075980 29 1 0.000124692 0.000152021 0.000216306 ------------------------------------------------------------------- Cartesian Forces: Max 0.002032033 RMS 0.000486709 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001732137 RMS 0.000242307 Search for a local minimum. Step number 20 out of a maximum of 161 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= -5.36D-05 DEPred=-1.21D-05 R= 4.42D+00 TightC=F SS= 1.41D+00 RLast= 1.39D-01 DXNew= 2.5586D+00 4.1585D-01 Trust test= 4.42D+00 RLast= 1.39D-01 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00038 0.00233 0.00317 0.00341 0.00447 Eigenvalues --- 0.01040 0.02392 0.02837 0.03084 0.03200 Eigenvalues --- 0.03504 0.04188 0.04358 0.04420 0.04904 Eigenvalues --- 0.05146 0.05174 0.05500 0.05521 0.05537 Eigenvalues --- 0.05792 0.06606 0.06614 0.07704 0.07959 Eigenvalues --- 0.08299 0.08549 0.11918 0.13501 0.14599 Eigenvalues --- 0.15317 0.15555 0.15895 0.15989 0.15999 Eigenvalues --- 0.16010 0.16112 0.16145 0.16420 0.17170 Eigenvalues --- 0.19122 0.19382 0.20201 0.20403 0.20883 Eigenvalues --- 0.21527 0.22306 0.23131 0.24323 0.24838 Eigenvalues --- 0.25999 0.26400 0.28525 0.28766 0.29342 Eigenvalues --- 0.29778 0.32129 0.33498 0.33575 0.33616 Eigenvalues --- 0.33765 0.34097 0.34436 0.34583 0.34850 Eigenvalues --- 0.36193 0.37386 0.39099 0.42535 0.45792 Eigenvalues --- 0.46037 0.48335 0.54310 0.55549 0.59411 Eigenvalues --- 0.61805 0.66436 0.67984 0.75587 0.99008 Eigenvalues --- 1.01226 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 20 19 18 17 16 15 14 13 12 11 RFO step: Lambda=-1.64001328D-04. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. RFO-DIIS uses 5 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.71352 -0.20446 -2.00000 1.52691 -0.03598 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.08982290 RMS(Int)= 0.00466784 Iteration 2 RMS(Cart)= 0.00682015 RMS(Int)= 0.00006348 Iteration 3 RMS(Cart)= 0.00002892 RMS(Int)= 0.00006245 Iteration 4 RMS(Cart)= 0.00000000 RMS(Int)= 0.00006245 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79372 -0.00019 -0.00012 -0.00017 -0.00028 2.79344 R2 2.80608 0.00021 0.00010 -0.00116 -0.00106 2.80502 R3 3.11895 0.00173 0.00196 -0.00184 0.00011 3.11906 R4 3.45626 -0.00113 -0.00222 0.00019 -0.00204 3.45422 R5 1.79037 -0.00004 0.00009 0.00005 0.00014 1.79052 R6 2.03998 -0.00007 0.00005 -0.00034 -0.00028 2.03970 R7 2.49976 0.00016 0.00009 -0.00056 -0.00047 2.49929 R8 2.03672 -0.00010 -0.00013 0.00065 0.00052 2.03725 R9 2.86883 -0.00071 -0.00110 -0.00163 -0.00272 2.86611 R10 2.04157 0.00007 -0.00001 0.00044 0.00044 2.04201 R11 2.69948 0.00027 0.00148 -0.00034 0.00113 2.70060 R12 2.89163 0.00009 0.00057 -0.00229 -0.00177 2.88985 R13 2.66446 -0.00023 -0.00050 -0.00016 -0.00060 2.66386 R14 2.05307 0.00008 0.00019 0.00020 0.00039 2.05346 R15 2.87682 -0.00017 -0.00055 -0.00023 -0.00078 2.87604 R16 2.89699 -0.00000 -0.00065 0.00071 0.00011 2.89710 R17 2.05847 -0.00009 -0.00018 0.00010 -0.00007 2.05840 R18 2.04972 0.00003 0.00009 -0.00019 -0.00010 2.04962 R19 2.05342 -0.00007 -0.00014 0.00006 -0.00008 2.05334 R20 2.04015 -0.00009 0.00016 -0.00047 -0.00031 2.03984 R21 2.87893 0.00014 0.00011 -0.00055 -0.00046 2.87846 R22 2.65545 0.00002 -0.00007 0.00086 0.00080 2.65624 R23 2.05049 -0.00004 0.00009 -0.00030 -0.00021 2.05028 R24 2.04757 0.00002 0.00003 -0.00000 0.00003 2.04760 R25 3.09047 0.00027 -0.00042 -0.00096 -0.00138 3.08909 R26 2.78893 -0.00003 -0.00003 -0.00008 -0.00011 2.78882 R27 2.77782 -0.00009 -0.00021 -0.00009 -0.00030 2.77752 R28 3.10547 0.00105 0.00117 0.00036 0.00153 3.10700 R29 1.78995 -0.00016 -0.00011 0.00012 0.00002 1.78997 A1 2.14879 0.00000 -0.00002 0.00131 0.00130 2.15008 A2 1.87425 -0.00003 -0.00018 -0.00218 -0.00237 1.87189 A3 1.88825 0.00012 0.00042 -0.00100 -0.00058 1.88768 A4 1.85083 -0.00003 0.00016 0.00268 0.00284 1.85367 A5 1.90520 0.00001 -0.00004 0.00030 0.00026 1.90546 A6 1.75597 -0.00010 -0.00046 -0.00172 -0.00218 1.75379 A7 1.85788 -0.00001 0.00022 0.00299 0.00321 1.86109 A8 2.02241 0.00025 0.00079 -0.00510 -0.00430 2.01811 A9 2.15203 -0.00021 0.00005 0.00375 0.00380 2.15583 A10 2.10838 -0.00004 -0.00086 0.00133 0.00047 2.10885 A11 2.05548 -0.00011 0.00033 -0.00184 -0.00153 2.05394 A12 2.25739 -0.00004 -0.00084 0.00767 0.00680 2.26419 A13 1.97032 0.00014 0.00052 -0.00582 -0.00532 1.96500 A14 1.92963 0.00003 0.00044 -0.00420 -0.00373 1.92590 A15 1.88695 -0.00029 -0.00182 -0.00477 -0.00668 1.88027 A16 2.03098 0.00040 0.00098 0.01187 0.01280 2.04377 A17 1.87587 0.00013 0.00161 -0.00187 -0.00031 1.87556 A18 1.91942 -0.00019 -0.00197 -0.00143 -0.00342 1.91600 A19 1.81127 -0.00011 0.00086 -0.00041 0.00064 1.81191 A20 1.94300 0.00002 0.00030 -0.00065 0.00013 1.94313 A21 1.88079 0.00015 0.00223 -0.00042 0.00177 1.88257 A22 1.91765 -0.00037 -0.00208 -0.00067 -0.00288 1.91478 A23 1.84567 0.00012 -0.00090 0.00107 0.00042 1.84609 A24 1.90709 0.00001 0.00037 0.00056 0.00098 1.90807 A25 1.91136 -0.00029 -0.00166 0.00009 -0.00162 1.90974 A26 1.99734 0.00038 0.00207 -0.00063 0.00135 1.99868 A27 1.93228 0.00007 0.00050 0.00036 0.00086 1.93314 A28 1.92726 -0.00002 -0.00009 -0.00112 -0.00121 1.92605 A29 1.93019 -0.00016 -0.00084 0.00004 -0.00080 1.92939 A30 1.89651 0.00001 0.00033 0.00038 0.00071 1.89723 A31 1.88790 0.00005 0.00016 0.00002 0.00018 1.88808 A32 1.88849 0.00005 -0.00005 0.00034 0.00029 1.88879 A33 1.97481 -0.00004 -0.00105 0.00132 0.00019 1.97501 A34 1.75762 0.00003 0.00057 0.00140 0.00207 1.75969 A35 1.94023 -0.00005 -0.00097 -0.00388 -0.00483 1.93540 A36 1.98159 -0.00008 0.00026 0.00134 0.00157 1.98316 A37 1.93393 0.00013 0.00141 -0.00055 0.00088 1.93481 A38 1.86668 -0.00000 -0.00034 0.00039 0.00002 1.86671 A39 1.77788 -0.00008 -0.00182 0.00016 -0.00142 1.77645 A40 1.93224 0.00006 -0.00003 -0.00004 -0.00008 1.93217 A41 1.96936 0.00001 0.00061 -0.00057 -0.00007 1.96929 A42 1.92240 -0.00009 -0.00001 0.00105 0.00098 1.92338 A43 1.95426 0.00006 0.00036 -0.00069 -0.00042 1.95384 A44 1.90516 0.00003 0.00073 0.00012 0.00089 1.90605 A45 2.13776 -0.00058 -0.00359 -0.00341 -0.00700 2.13077 A46 1.84666 0.00016 0.00042 0.00130 0.00172 1.84838 A47 1.91009 -0.00001 -0.00099 -0.00003 -0.00102 1.90907 A48 1.74666 -0.00032 -0.00077 0.00002 -0.00076 1.74590 A49 2.17342 0.00027 0.00130 0.00089 0.00218 2.17560 A50 1.86252 -0.00011 0.00005 -0.00049 -0.00044 1.86208 A51 1.87772 -0.00012 -0.00043 -0.00184 -0.00227 1.87545 A52 1.86098 -0.00001 -0.00011 0.00027 0.00017 1.86114 D1 2.67233 0.00013 0.01047 0.02777 0.03824 2.71057 D2 0.34589 0.00016 0.01050 0.02576 0.03626 0.38215 D3 -1.63787 0.00021 0.01068 0.02522 0.03590 -1.60196 D4 0.87102 -0.00013 -0.00099 0.01452 0.01353 0.88455 D5 -2.24198 -0.00004 -0.00042 0.01524 0.01481 -2.22716 D6 -3.03329 -0.00002 -0.00070 0.01571 0.01501 -3.01828 D7 0.13690 0.00007 -0.00013 0.01643 0.01630 0.15319 D8 -1.09125 -0.00010 -0.00074 0.01801 0.01728 -1.07397 D9 2.07893 -0.00001 -0.00017 0.01873 0.01856 2.09749 D10 -0.03565 -0.00006 0.00099 0.00121 0.00220 -0.03345 D11 3.10712 -0.00010 -0.00240 -0.00873 -0.01115 3.09598 D12 3.13589 0.00003 0.00154 0.00206 0.00361 3.13951 D13 -0.00452 -0.00001 -0.00185 -0.00788 -0.00973 -0.01425 D14 1.69461 0.00016 0.00155 0.15812 0.15967 1.85429 D15 -2.53953 0.00017 0.00269 0.15068 0.15332 -2.38621 D16 -0.51111 0.00006 0.00311 0.15399 0.15713 -0.35399 D17 -1.44585 0.00012 -0.00171 0.14857 0.14688 -1.29897 D18 0.60319 0.00013 -0.00057 0.14113 0.14052 0.74371 D19 2.63161 0.00003 -0.00014 0.14444 0.14433 2.77594 D20 1.78200 0.00026 0.01694 0.00395 0.02089 1.80289 D21 -2.41784 0.00021 0.01737 -0.00466 0.01270 -2.40514 D22 -0.38478 0.00000 0.01625 -0.00728 0.00899 -0.37579 D23 0.70699 0.00011 -0.00561 0.00483 -0.00080 0.70619 D24 -1.41395 0.00021 -0.00577 0.00173 -0.00405 -1.41800 D25 2.89628 0.00021 -0.00532 0.00202 -0.00333 2.89295 D26 -1.50382 -0.00009 -0.00530 0.00216 -0.00312 -1.50694 D27 2.65842 0.00001 -0.00546 -0.00094 -0.00637 2.65206 D28 0.68546 0.00001 -0.00501 -0.00065 -0.00564 0.67982 D29 2.77712 -0.00011 -0.00673 0.00514 -0.00160 2.77552 D30 0.65618 -0.00001 -0.00689 0.00204 -0.00485 0.65133 D31 -1.31678 -0.00001 -0.00644 0.00233 -0.00412 -1.32090 D32 1.98899 -0.00022 -0.01992 0.01021 -0.00966 1.97933 D33 -2.21790 -0.00033 -0.01935 0.01025 -0.00907 -2.22697 D34 -0.05390 -0.00001 -0.01861 0.00977 -0.00885 -0.06275 D35 -3.11871 0.00008 0.00068 -0.00063 0.00014 -3.11857 D36 1.06332 0.00003 -0.00000 -0.00061 -0.00052 1.06280 D37 -1.02644 0.00009 0.00065 -0.00034 0.00041 -1.02604 D38 -1.05864 0.00004 0.00239 -0.00120 0.00118 -1.05746 D39 3.12339 -0.00000 0.00170 -0.00118 0.00052 3.12391 D40 1.03363 0.00005 0.00236 -0.00091 0.00145 1.03508 D41 1.09155 -0.00006 0.00198 -0.00111 0.00078 1.09233 D42 -1.00960 -0.00011 0.00129 -0.00109 0.00012 -1.00948 D43 -3.09936 -0.00005 0.00195 -0.00082 0.00104 -3.09832 D44 0.46908 0.00001 0.01308 -0.00849 0.00464 0.47372 D45 -1.57483 0.00013 0.01407 -0.00977 0.00430 -1.57053 D46 2.56727 0.00004 0.01269 -0.00949 0.00325 2.57052 D47 -1.55310 -0.00009 0.01175 -0.00861 0.00314 -1.54995 D48 2.68618 0.00003 0.01274 -0.00989 0.00280 2.68898 D49 0.54510 -0.00006 0.01136 -0.00961 0.00175 0.54684 D50 2.58219 -0.00014 0.01108 -0.00895 0.00215 2.58434 D51 0.53828 -0.00002 0.01207 -0.01023 0.00180 0.54009 D52 -1.60280 -0.00012 0.01068 -0.00995 0.00075 -1.60205 D53 -0.67417 -0.00001 -0.00366 0.00381 0.00005 -0.67412 D54 1.37684 -0.00002 -0.00463 0.00430 -0.00036 1.37648 D55 -2.78293 -0.00001 -0.00347 0.00472 0.00119 -2.78174 D56 -2.79032 0.00005 -0.00289 0.00071 -0.00225 -2.79256 D57 -0.73931 0.00004 -0.00387 0.00120 -0.00266 -0.74197 D58 1.38411 0.00005 -0.00270 0.00162 -0.00111 1.38300 D59 1.35423 -0.00005 -0.00460 0.00026 -0.00439 1.34984 D60 -2.87795 -0.00006 -0.00557 0.00075 -0.00480 -2.88275 D61 -0.75453 -0.00005 -0.00441 0.00117 -0.00325 -0.75778 D62 -1.65349 -0.00015 -0.00877 -0.01548 -0.02419 -1.67767 D63 0.55844 -0.00014 -0.00980 -0.01712 -0.02693 0.53150 D64 2.72656 -0.00016 -0.00882 -0.01554 -0.02441 2.70215 D65 -3.09448 0.00009 -0.00938 -0.03043 -0.03981 -3.13429 D66 0.80744 -0.00039 -0.01066 -0.03262 -0.04328 0.76416 D67 -1.16195 -0.00010 -0.00949 -0.03057 -0.04006 -1.20201 D68 -1.51527 -0.00004 0.00248 0.01553 0.01801 -1.49726 D69 0.40480 -0.00003 0.00265 0.01680 0.01945 0.42425 D70 2.77365 0.00015 0.00404 0.01618 0.02022 2.79387 Item Value Threshold Converged? Maximum Force 0.001732 0.000450 NO RMS Force 0.000242 0.000300 YES Maximum Displacement 0.511577 0.001800 NO RMS Displacement 0.092298 0.001200 NO Predicted change in Energy=-8.773326D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.601013 1.770943 -0.631563 2 8 0 2.591873 1.420229 -1.670958 3 8 0 0.583769 0.816703 -0.123689 4 8 0 0.766949 3.087570 -1.174793 5 6 0 2.495511 2.504524 0.783690 6 1 0 3.179882 3.302908 0.540306 7 6 0 2.360830 2.083689 2.030261 8 1 0 1.661490 1.284606 2.216306 9 6 0 3.064536 2.547302 3.291283 10 1 0 2.393048 3.133110 3.902508 11 8 0 3.423761 1.385239 4.041538 12 6 0 4.797827 1.097295 3.914458 13 1 0 5.261159 1.247832 4.885774 14 6 0 4.981204 -0.352173 3.488196 15 6 0 4.388330 3.292666 3.116381 16 1 0 4.378287 3.987735 2.290570 17 6 0 5.349313 2.127017 2.921550 18 1 0 5.283678 1.753200 1.905138 19 1 0 6.374376 2.407606 3.132702 20 8 0 4.761971 3.937102 4.308384 21 1 0 6.038809 -0.599964 3.407219 22 1 0 4.508819 -0.525497 2.527365 23 1 0 4.530454 -1.023146 4.214333 24 15 0 4.428136 5.513278 4.584779 25 8 0 4.981573 5.815966 5.918948 26 8 0 3.048234 5.800024 4.167695 27 8 0 5.431059 6.215227 3.487211 28 1 0 6.275487 6.301252 3.907627 29 1 0 -0.073377 3.075757 -0.737220 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478223 0.000000 3 O 1.484351 2.605910 0.000000 4 O 1.650536 2.521221 2.509026 0.000000 5 C 1.827897 2.685195 2.706812 2.676476 0.000000 6 H 2.492593 2.963093 3.655395 2.968195 1.079360 7 C 2.785756 3.767304 3.066382 3.717607 1.322566 8 H 2.889730 3.999353 2.618395 3.943404 2.058198 9 C 4.258327 5.110532 4.561930 5.051398 2.571700 10 H 4.800064 5.834124 4.984926 5.331534 3.183181 11 O 5.030810 5.772856 5.073253 6.096449 3.567636 12 C 5.598190 6.013933 5.843256 6.790409 4.133118 13 H 6.641636 7.081352 6.867210 7.766147 5.104428 14 C 5.736351 5.955433 5.809425 7.164862 4.653358 15 C 4.912419 5.445354 5.577018 5.618775 3.105701 16 H 4.600682 5.047481 5.502950 5.085351 2.831157 17 C 5.176982 5.403161 5.805239 6.220992 3.585686 18 H 4.471821 4.488334 5.204067 5.627376 3.097743 19 H 6.112284 6.193334 6.831265 7.103527 4.535730 20 O 6.251958 6.840797 6.843795 6.837188 4.428611 21 H 6.451898 6.461457 6.650693 7.898433 5.392190 22 H 4.869066 5.008637 4.922967 6.384499 4.034209 23 H 6.314370 6.660693 6.146527 7.752718 5.324919 24 P 7.014835 7.697996 7.681578 7.242998 5.218804 25 O 8.408305 9.090646 8.991483 8.690706 6.596745 26 O 6.431238 7.313053 7.023038 6.411229 4.755767 27 O 7.168348 7.593398 8.104251 7.298661 5.449385 28 H 7.935909 8.277319 8.872848 8.154921 6.201803 29 H 2.125391 3.273561 2.431375 0.947501 3.039516 6 7 8 9 10 6 H 0.000000 7 C 2.092202 0.000000 8 H 3.031177 1.078064 0.000000 9 C 2.855192 1.516679 2.172214 0.000000 10 H 3.457216 2.146539 2.606802 1.080584 0.000000 11 O 3.999445 2.379683 2.539133 1.429097 2.033901 12 C 4.343660 3.234521 3.571472 2.344178 3.150817 13 H 5.238144 4.155060 4.481633 3.009349 3.570315 14 C 5.029358 3.863336 3.913726 3.481286 4.360895 15 C 2.845455 2.598469 3.504011 1.529245 2.150490 16 H 2.229033 2.786267 3.833198 2.191395 2.696275 17 C 3.429209 3.118863 3.847995 2.352350 3.273226 18 H 2.947935 2.944134 3.665604 2.734335 3.774835 19 H 4.210330 4.174788 4.930741 3.316581 4.119458 20 O 4.135653 3.793477 4.585358 2.418124 2.534352 21 H 5.623617 4.756631 4.912311 4.331862 5.241444 22 H 4.513443 3.415966 3.388291 3.480175 4.444424 23 H 5.834147 4.373770 4.189128 3.968506 4.684037 24 P 4.775105 4.749883 5.580829 3.511345 3.205040 25 O 6.204139 5.993336 6.727981 4.611271 4.238421 26 O 4.405777 4.341923 5.110771 3.368763 2.758990 27 O 4.715257 5.349637 6.335288 4.369496 4.347578 28 H 5.469158 6.052841 7.022555 4.978175 5.011037 29 H 3.502480 3.816872 3.865397 5.133672 5.254865 11 12 13 14 15 11 O 0.000000 12 C 1.409652 0.000000 13 H 2.026734 1.086644 0.000000 14 C 2.398003 1.521934 2.142806 0.000000 15 C 2.329075 2.371555 2.841467 3.711415 0.000000 16 H 3.278719 3.341807 3.875773 4.542315 1.079437 17 C 2.347841 1.533079 2.153814 2.569626 1.523216 18 H 2.856378 2.168785 3.023259 2.651445 2.153767 19 H 3.252283 2.193984 2.378569 3.111862 2.174391 20 O 2.893790 2.867223 2.795486 4.372489 1.405624 21 H 3.343930 2.162873 2.491028 1.089260 4.238071 22 H 2.668517 2.154299 3.045128 1.084612 3.865207 23 H 2.656115 2.158166 2.478328 1.086579 4.455551 24 P 4.283058 4.481842 4.356437 5.992653 2.662497 25 O 5.057943 5.130068 4.691850 6.629819 3.817508 26 O 4.432524 5.024029 5.112253 6.484414 3.031165 27 O 5.259783 5.174626 5.163318 6.582790 3.125086 28 H 5.684845 5.409686 5.246207 6.791109 3.638547 29 H 6.158275 7.020046 7.963457 7.426549 5.899501 16 17 18 19 20 16 H 0.000000 17 C 2.191643 0.000000 18 H 2.441606 1.084960 0.000000 19 H 2.681486 1.083545 1.767705 0.000000 20 O 2.054593 2.354717 3.288951 2.514247 0.000000 21 H 5.005120 2.854418 2.892033 3.038658 4.798686 22 H 4.521324 2.810274 2.485967 3.528431 4.811539 23 H 5.369632 3.502191 3.688879 4.042280 4.966539 24 P 2.755568 3.883511 4.695807 3.942280 1.634677 25 O 4.107494 4.767387 5.719091 4.617357 2.484405 26 O 2.928657 4.509859 5.147151 4.862400 2.535186 27 O 2.738978 4.127968 4.736492 3.938719 2.512341 28 H 3.400971 4.387982 5.067388 3.971243 2.835585 29 H 5.460451 6.610013 6.117945 7.549586 7.041351 21 22 23 24 25 21 H 0.000000 22 H 1.766510 0.000000 23 H 1.762286 1.758972 0.000000 24 P 6.430602 6.380145 6.547712 0.000000 25 O 6.970703 7.206974 7.062767 1.475778 0.000000 26 O 7.105049 6.695985 6.982464 1.469800 2.608628 27 O 6.842704 6.870895 7.330337 1.644154 2.504954 28 H 6.923382 7.185453 7.535650 2.119468 2.440314 29 H 8.249007 6.680050 7.906588 7.384362 8.795786 26 27 28 29 26 O 0.000000 27 O 2.512630 0.000000 28 H 3.276283 0.947211 0.000000 29 H 6.420614 7.615833 8.502147 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.715524 -0.663283 0.134617 2 8 0 -4.204434 -0.342712 1.492315 3 8 0 -4.267037 -0.041869 -1.095414 4 8 0 -3.864578 -2.294688 -0.066801 5 6 0 -1.895641 -0.492387 0.129470 6 1 0 -1.375600 -1.012893 0.919185 7 6 0 -1.233460 0.241467 -0.749253 8 1 0 -1.803398 0.737768 -1.518069 9 6 0 0.253139 0.523862 -0.852174 10 1 0 0.683883 -0.026274 -1.676476 11 8 0 0.413249 1.915489 -1.135118 12 6 0 0.809878 2.630011 0.013472 13 1 0 1.818676 2.997382 -0.154338 14 6 0 -0.125942 3.810090 0.232427 15 6 0 1.092013 0.308620 0.408202 16 1 0 0.809574 -0.574824 0.960416 17 6 0 0.823068 1.608021 1.156141 18 1 0 -0.144961 1.565883 1.644283 19 1 0 1.586887 1.814776 1.896346 20 8 0 2.463359 0.289192 0.100287 21 1 0 0.179190 4.388374 1.103615 22 1 0 -1.142135 3.462637 0.384123 23 1 0 -0.117571 4.468857 -0.631639 24 15 0 3.279959 -1.106634 -0.138462 25 8 0 4.674013 -0.715780 -0.424414 26 8 0 2.474961 -2.005216 -0.978010 27 8 0 3.263589 -1.713039 1.389690 28 1 0 4.005947 -1.334147 1.839751 29 1 0 -3.930337 -2.447907 -0.999516 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5820205 0.1937180 0.1620751 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.8978968946 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.82D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 0.999914 0.012361 0.000391 -0.004444 Ang= 1.51 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57165177 A.U. after 13 cycles NFock= 13 Conv=0.28D-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 15 0.001479621 -0.000904930 0.001025195 2 8 -0.000012365 0.000022525 -0.000122801 3 8 -0.000227732 -0.000325649 0.000094351 4 8 -0.000972304 0.001215455 -0.000609760 5 6 -0.000400686 0.000216224 -0.000894643 6 1 0.000293782 -0.000079072 0.000229320 7 6 -0.000261825 -0.000224755 0.001003433 8 1 0.000004137 0.000145227 -0.000255086 9 6 -0.000301423 0.000262053 -0.000537964 10 1 -0.000030623 0.000039376 -0.000056587 11 8 0.000176929 -0.000552065 0.000233889 12 6 -0.000134564 -0.000090654 -0.000153751 13 1 0.000074644 0.000114671 -0.000068316 14 6 0.000098694 -0.000114317 0.000096487 15 6 0.000166500 0.000207160 -0.000416506 16 1 -0.000144642 0.000008612 0.000013648 17 6 0.000333375 -0.000198898 0.000040510 18 1 -0.000005079 0.000055102 0.000064116 19 1 0.000032618 -0.000007492 -0.000002439 20 8 -0.000189873 -0.000718416 0.000119959 21 1 -0.000052945 -0.000006879 0.000003369 22 1 -0.000010590 -0.000015811 0.000003079 23 1 -0.000023849 0.000079331 -0.000009882 24 15 -0.000482188 0.000823074 0.000818965 25 8 -0.000013373 -0.000166443 -0.000130379 26 8 -0.000090937 -0.000099392 0.000042734 27 8 0.000709578 0.000217407 -0.000580864 28 1 -0.000132708 0.000043471 -0.000053703 29 1 0.000117828 0.000055085 0.000103627 ------------------------------------------------------------------- Cartesian Forces: Max 0.001479621 RMS 0.000400266 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.001611876 RMS 0.000217820 Search for a local minimum. Step number 21 out of a maximum of 161 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 19 20 21 DE= -1.01D-04 DEPred=-8.77D-05 R= 1.16D+00 TightC=F SS= 1.41D+00 RLast= 3.89D-01 DXNew= 2.5586D+00 1.1678D+00 Trust test= 1.16D+00 RLast= 3.89D-01 DXMaxT set to 1.52D+00 ITU= 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 1 ITU= 0 Eigenvalues --- 0.00067 0.00231 0.00254 0.00324 0.00403 Eigenvalues --- 0.01038 0.02388 0.02878 0.03083 0.03207 Eigenvalues --- 0.03477 0.04183 0.04353 0.04414 0.04920 Eigenvalues --- 0.05116 0.05192 0.05498 0.05511 0.05544 Eigenvalues --- 0.05768 0.06593 0.06623 0.07708 0.07950 Eigenvalues --- 0.08250 0.08596 0.11978 0.13433 0.14624 Eigenvalues --- 0.15352 0.15762 0.15953 0.15966 0.15998 Eigenvalues --- 0.16015 0.16095 0.16147 0.16297 0.17198 Eigenvalues --- 0.19052 0.19341 0.20071 0.20612 0.20881 Eigenvalues --- 0.21585 0.22264 0.23071 0.24173 0.24801 Eigenvalues --- 0.26033 0.26388 0.28464 0.28768 0.29299 Eigenvalues --- 0.29762 0.32042 0.33498 0.33570 0.33616 Eigenvalues --- 0.33766 0.34094 0.34433 0.34579 0.34849 Eigenvalues --- 0.36193 0.37400 0.39081 0.42436 0.45667 Eigenvalues --- 0.46012 0.48326 0.54326 0.55721 0.59439 Eigenvalues --- 0.61735 0.64980 0.67728 0.71218 0.99008 Eigenvalues --- 1.01257 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 21 20 19 18 17 16 15 14 13 12 RFO step: Lambda=-3.74081677D-05. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. RFO-DIIS uses 5 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 0.84903 1.16169 -1.16324 -0.57691 0.72944 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.02109810 RMS(Int)= 0.00015841 Iteration 2 RMS(Cart)= 0.00020922 RMS(Int)= 0.00002634 Iteration 3 RMS(Cart)= 0.00000003 RMS(Int)= 0.00002634 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79344 0.00007 -0.00000 0.00004 0.00004 2.79348 R2 2.80502 0.00040 0.00040 0.00022 0.00063 2.80564 R3 3.11906 0.00161 0.00189 0.00141 0.00330 3.12236 R4 3.45422 -0.00059 -0.00191 -0.00055 -0.00246 3.45177 R5 1.79052 -0.00006 0.00001 -0.00004 -0.00004 1.79048 R6 2.03970 0.00008 0.00015 0.00006 0.00022 2.03991 R7 2.49929 0.00026 0.00018 0.00030 0.00048 2.49977 R8 2.03725 -0.00015 -0.00023 -0.00023 -0.00047 2.03678 R9 2.86611 -0.00052 -0.00089 -0.00036 -0.00125 2.86486 R10 2.04201 0.00001 -0.00008 0.00009 0.00001 2.04202 R11 2.70060 0.00053 0.00150 0.00045 0.00194 2.70254 R12 2.88985 0.00011 0.00085 0.00013 0.00095 2.89081 R13 2.66386 0.00006 -0.00035 0.00014 -0.00019 2.66367 R14 2.05346 -0.00001 0.00004 -0.00001 0.00002 2.05348 R15 2.87604 0.00003 -0.00033 0.00005 -0.00028 2.87576 R16 2.89710 0.00008 -0.00049 -0.00029 -0.00075 2.89635 R17 2.05840 -0.00005 -0.00017 -0.00002 -0.00019 2.05822 R18 2.04962 0.00000 0.00006 0.00003 0.00009 2.04971 R19 2.05334 -0.00005 -0.00010 -0.00005 -0.00015 2.05319 R20 2.03984 -0.00000 0.00021 -0.00029 -0.00008 2.03976 R21 2.87846 0.00034 0.00054 0.00047 0.00099 2.87946 R22 2.65624 0.00018 -0.00005 0.00050 0.00045 2.65669 R23 2.05028 -0.00008 0.00008 -0.00009 -0.00001 2.05027 R24 2.04760 0.00003 0.00003 0.00002 0.00005 2.04765 R25 3.08909 0.00081 -0.00017 0.00154 0.00137 3.09046 R26 2.78882 -0.00016 -0.00004 -0.00013 -0.00017 2.78865 R27 2.77752 0.00005 -0.00013 0.00009 -0.00004 2.77748 R28 3.10700 0.00089 0.00101 0.00053 0.00154 3.10855 R29 1.78997 -0.00014 -0.00006 -0.00012 -0.00018 1.78979 A1 2.15008 -0.00006 -0.00029 -0.00016 -0.00045 2.14963 A2 1.87189 -0.00002 0.00024 -0.00050 -0.00026 1.87163 A3 1.88768 0.00017 0.00055 0.00085 0.00139 1.88907 A4 1.85367 0.00000 0.00018 -0.00012 0.00006 1.85372 A5 1.90546 -0.00002 -0.00029 -0.00019 -0.00048 1.90498 A6 1.75379 -0.00008 -0.00043 0.00014 -0.00029 1.75350 A7 1.86109 -0.00006 -0.00018 -0.00023 -0.00041 1.86068 A8 2.01811 0.00036 0.00167 0.00125 0.00292 2.02103 A9 2.15583 -0.00015 -0.00038 -0.00067 -0.00105 2.15478 A10 2.10885 -0.00022 -0.00129 -0.00061 -0.00190 2.10695 A11 2.05394 0.00008 0.00064 -0.00030 0.00033 2.05428 A12 2.26419 -0.00066 -0.00235 -0.00164 -0.00400 2.26018 A13 1.96500 0.00058 0.00172 0.00195 0.00366 1.96866 A14 1.92590 0.00000 0.00045 0.00006 0.00054 1.92644 A15 1.88027 0.00017 -0.00077 0.00111 0.00031 1.88058 A16 2.04377 -0.00020 -0.00086 -0.00135 -0.00222 2.04156 A17 1.87556 0.00004 0.00198 -0.00053 0.00144 1.87700 A18 1.91600 0.00006 -0.00161 0.00078 -0.00084 1.91516 A19 1.81191 -0.00006 0.00111 -0.00004 0.00115 1.81305 A20 1.94313 -0.00002 0.00058 -0.00034 0.00044 1.94357 A21 1.88257 0.00003 0.00174 -0.00034 0.00139 1.88396 A22 1.91478 -0.00012 -0.00153 0.00042 -0.00117 1.91360 A23 1.84609 0.00007 -0.00076 0.00035 -0.00031 1.84578 A24 1.90807 -0.00001 0.00025 -0.00031 -0.00004 1.90804 A25 1.90974 -0.00014 -0.00179 -0.00054 -0.00235 1.90739 A26 1.99868 0.00016 0.00209 0.00040 0.00245 2.00113 A27 1.93314 0.00005 0.00036 0.00017 0.00053 1.93367 A28 1.92605 0.00003 0.00003 0.00008 0.00011 1.92616 A29 1.92939 -0.00011 -0.00070 -0.00027 -0.00097 1.92842 A30 1.89723 -0.00001 0.00021 0.00005 0.00026 1.89749 A31 1.88808 0.00003 0.00017 0.00007 0.00024 1.88832 A32 1.88879 0.00002 -0.00007 -0.00010 -0.00017 1.88862 A33 1.97501 -0.00005 -0.00137 0.00005 -0.00136 1.97365 A34 1.75969 0.00002 0.00053 -0.00015 0.00042 1.76011 A35 1.93540 -0.00002 -0.00068 0.00009 -0.00059 1.93481 A36 1.98316 0.00007 0.00042 0.00057 0.00098 1.98414 A37 1.93481 0.00000 0.00108 -0.00047 0.00061 1.93542 A38 1.86671 -0.00002 -0.00000 -0.00004 -0.00006 1.86665 A39 1.77645 0.00002 -0.00120 -0.00006 -0.00116 1.77530 A40 1.93217 0.00001 -0.00040 0.00038 -0.00002 1.93214 A41 1.96929 -0.00001 0.00059 -0.00010 0.00045 1.96974 A42 1.92338 -0.00003 0.00009 -0.00030 -0.00024 1.92314 A43 1.95384 0.00001 0.00019 0.00036 0.00051 1.95435 A44 1.90605 0.00000 0.00060 -0.00026 0.00036 1.90641 A45 2.13077 0.00013 -0.00270 0.00237 -0.00033 2.13044 A46 1.84838 -0.00014 -0.00010 -0.00056 -0.00065 1.84773 A47 1.90907 -0.00008 -0.00108 0.00015 -0.00094 1.90813 A48 1.74590 -0.00018 -0.00026 -0.00035 -0.00061 1.74529 A49 2.17560 0.00005 0.00078 -0.00026 0.00053 2.17613 A50 1.86208 0.00013 0.00030 0.00043 0.00073 1.86281 A51 1.87545 0.00017 0.00018 0.00055 0.00072 1.87617 A52 1.86114 0.00002 0.00008 0.00007 0.00015 1.86129 D1 2.71057 0.00001 0.00713 0.00240 0.00953 2.72009 D2 0.38215 0.00010 0.00719 0.00304 0.01023 0.39238 D3 -1.60196 0.00015 0.00762 0.00323 0.01085 -1.59111 D4 0.88455 -0.00016 -0.00273 -0.00181 -0.00454 0.88002 D5 -2.22716 -0.00006 -0.00253 -0.00071 -0.00324 -2.23040 D6 -3.01828 -0.00012 -0.00290 -0.00147 -0.00437 -3.02264 D7 0.15319 -0.00002 -0.00269 -0.00037 -0.00307 0.15012 D8 -1.07397 -0.00016 -0.00299 -0.00160 -0.00460 -1.07857 D9 2.09749 -0.00006 -0.00279 -0.00050 -0.00329 2.09420 D10 -0.03345 -0.00008 0.00113 -0.00218 -0.00105 -0.03451 D11 3.09598 -0.00010 -0.00087 -0.00133 -0.00220 3.09377 D12 3.13951 0.00001 0.00129 -0.00105 0.00023 3.13974 D13 -0.01425 -0.00001 -0.00072 -0.00021 -0.00092 -0.01517 D14 1.85429 -0.00004 -0.02018 -0.00016 -0.02033 1.83395 D15 -2.38621 0.00010 -0.01799 -0.00012 -0.01813 -2.40435 D16 -0.35399 0.00004 -0.01762 -0.00019 -0.01780 -0.37179 D17 -1.29897 -0.00006 -0.02210 0.00064 -0.02146 -1.32043 D18 0.74371 0.00008 -0.01992 0.00068 -0.01926 0.72446 D19 2.77594 0.00001 -0.01954 0.00061 -0.01892 2.75702 D20 1.80289 -0.00015 0.01461 -0.00179 0.01282 1.81571 D21 -2.40514 -0.00004 0.01582 -0.00141 0.01441 -2.39073 D22 -0.37579 0.00003 0.01538 -0.00076 0.01462 -0.36117 D23 0.70619 -0.00006 -0.00644 0.00049 -0.00597 0.70023 D24 -1.41800 -0.00013 -0.00661 -0.00011 -0.00673 -1.42473 D25 2.89295 -0.00011 -0.00662 -0.00002 -0.00666 2.88629 D26 -1.50694 0.00005 -0.00495 0.00082 -0.00413 -1.51107 D27 2.65206 -0.00002 -0.00512 0.00021 -0.00489 2.64717 D28 0.67982 0.00000 -0.00513 0.00030 -0.00482 0.67500 D29 2.77552 0.00000 -0.00709 0.00110 -0.00600 2.76953 D30 0.65133 -0.00006 -0.00726 0.00050 -0.00676 0.64457 D31 -1.32090 -0.00004 -0.00727 0.00059 -0.00669 -1.32759 D32 1.97933 -0.00014 -0.01863 -0.00000 -0.01860 1.96073 D33 -2.22697 -0.00019 -0.01817 -0.00033 -0.01849 -2.24546 D34 -0.06275 -0.00003 -0.01701 0.00061 -0.01640 -0.07914 D35 -3.11857 0.00006 0.00120 0.00095 0.00219 -3.11638 D36 1.06280 0.00003 0.00068 0.00073 0.00145 1.06425 D37 -1.02604 0.00006 0.00119 0.00098 0.00221 -1.02383 D38 -1.05746 0.00003 0.00256 0.00061 0.00317 -1.05429 D39 3.12391 -0.00001 0.00204 0.00038 0.00242 3.12634 D40 1.03508 0.00003 0.00255 0.00063 0.00318 1.03826 D41 1.09233 -0.00005 0.00191 -0.00005 0.00181 1.09414 D42 -1.00948 -0.00008 0.00138 -0.00028 0.00107 -1.00841 D43 -3.09832 -0.00005 0.00190 -0.00003 0.00183 -3.09649 D44 0.47372 -0.00001 0.01144 -0.00027 0.01119 0.48491 D45 -1.57053 0.00001 0.01214 -0.00005 0.01209 -1.55844 D46 2.57052 0.00001 0.01122 0.00007 0.01131 2.58183 D47 -1.54995 -0.00001 0.01067 0.00020 0.01087 -1.53908 D48 2.68898 0.00001 0.01137 0.00042 0.01177 2.70075 D49 0.54684 0.00001 0.01045 0.00055 0.01100 0.55784 D50 2.58434 -0.00001 0.01023 0.00074 0.01098 2.59532 D51 0.54009 0.00001 0.01094 0.00096 0.01188 0.55197 D52 -1.60205 0.00001 0.01001 0.00108 0.01111 -1.59095 D53 -0.67412 0.00000 -0.00248 -0.00011 -0.00263 -0.67675 D54 1.37648 0.00001 -0.00351 0.00016 -0.00336 1.37311 D55 -2.78174 -0.00000 -0.00255 -0.00014 -0.00272 -2.78446 D56 -2.79256 0.00001 -0.00138 -0.00035 -0.00175 -2.79431 D57 -0.74197 0.00002 -0.00241 -0.00008 -0.00248 -0.74445 D58 1.38300 0.00001 -0.00145 -0.00037 -0.00184 1.38116 D59 1.34984 -0.00002 -0.00300 -0.00010 -0.00312 1.34673 D60 -2.88275 -0.00001 -0.00404 0.00018 -0.00385 -2.88660 D61 -0.75778 -0.00002 -0.00308 -0.00012 -0.00321 -0.76099 D62 -1.67767 -0.00009 -0.00766 -0.00212 -0.00975 -1.68743 D63 0.53150 -0.00016 -0.00915 -0.00235 -0.01151 0.51999 D64 2.70215 -0.00009 -0.00796 -0.00196 -0.00995 2.69220 D65 -3.13429 0.00004 -0.00723 0.00335 -0.00388 -3.13816 D66 0.76416 0.00015 -0.00733 0.00403 -0.00330 0.76086 D67 -1.20201 0.00008 -0.00704 0.00353 -0.00351 -1.20552 D68 -1.49726 -0.00001 0.00057 0.00037 0.00094 -1.49632 D69 0.42425 -0.00019 0.00045 -0.00023 0.00021 0.42447 D70 2.79387 0.00010 0.00182 0.00017 0.00199 2.79586 Item Value Threshold Converged? Maximum Force 0.001612 0.000450 NO RMS Force 0.000218 0.000300 YES Maximum Displacement 0.108450 0.001800 NO RMS Displacement 0.021109 0.001200 NO Predicted change in Energy=-1.635021D-05 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.601377 1.792884 -0.640614 2 8 0 2.594186 1.477619 -1.689490 3 8 0 0.604601 0.810868 -0.144267 4 8 0 0.738966 3.102797 -1.160627 5 6 0 2.485060 2.521027 0.782541 6 1 0 3.156876 3.334013 0.552364 7 6 0 2.359028 2.079136 2.022984 8 1 0 1.673172 1.266342 2.198063 9 6 0 3.060818 2.537917 3.286043 10 1 0 2.389426 3.122828 3.898241 11 8 0 3.420352 1.372495 4.032886 12 6 0 4.797733 1.095145 3.920030 13 1 0 5.253258 1.260257 4.892686 14 6 0 4.995245 -0.357428 3.511558 15 6 0 4.384314 3.285066 3.112086 16 1 0 4.373500 3.977968 2.284525 17 6 0 5.348344 2.120364 2.922599 18 1 0 5.283185 1.741661 1.907975 19 1 0 6.372898 2.403721 3.132655 20 8 0 4.753628 3.933123 4.303756 21 1 0 6.055046 -0.599214 3.443492 22 1 0 4.532911 -0.544830 2.548429 23 1 0 4.541706 -1.022692 4.241087 24 15 0 4.427832 5.513556 4.569511 25 8 0 4.968888 5.817450 5.908377 26 8 0 3.054289 5.806650 4.136231 27 8 0 5.448193 6.202824 3.478776 28 1 0 6.288874 6.283980 3.907375 29 1 0 -0.095706 3.072474 -0.713273 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478243 0.000000 3 O 1.484682 2.605901 0.000000 4 O 1.652283 2.522448 2.510773 0.000000 5 C 1.826597 2.685433 2.705502 2.676416 0.000000 6 H 2.493562 2.964580 3.655908 2.972220 1.079475 7 C 2.784013 3.768234 3.063249 3.715894 1.322819 8 H 2.887990 4.000747 2.614538 3.940318 2.058421 9 C 4.254841 5.108611 4.558808 5.048065 2.568911 10 H 4.794891 5.828498 4.987247 5.321332 3.174728 11 O 5.032593 5.782663 5.068776 6.095602 3.571924 12 C 5.612754 6.038926 5.846511 6.805685 4.150354 13 H 6.651114 7.102320 6.868977 7.772798 5.113291 14 C 5.777777 6.015263 5.831615 7.205441 4.694046 15 C 4.904497 5.433834 5.568817 5.619418 3.101242 16 H 4.584287 5.021006 5.489458 5.083782 2.818659 17 C 5.181070 5.410164 5.798581 6.235726 3.597051 18 H 4.478128 4.499131 5.192997 5.649684 3.115046 19 H 6.113762 6.195919 6.822657 7.117737 4.544456 20 O 6.242122 6.827275 6.837237 6.831283 4.420336 21 H 6.499016 6.529800 6.675904 7.947547 5.437036 22 H 4.922275 5.080247 4.951782 6.438657 4.087974 23 H 6.356414 6.724294 6.172039 7.788389 5.361834 24 P 6.998403 7.669821 7.678026 7.228692 5.202955 25 O 8.392052 9.066473 8.985954 8.673661 6.581034 26 O 6.406208 7.272636 7.020076 6.381868 4.729331 27 O 7.156461 7.562004 8.103087 7.301442 5.441092 28 H 7.926334 8.250862 8.870271 8.161253 6.196241 29 H 2.126669 3.275986 2.434966 0.947482 3.033464 6 7 8 9 10 6 H 0.000000 7 C 2.091411 0.000000 8 H 3.030671 1.077816 0.000000 9 C 2.848858 1.516017 2.173975 0.000000 10 H 3.439255 2.146347 2.617283 1.080590 0.000000 11 O 4.003874 2.380222 2.535840 1.430122 2.035830 12 C 4.364186 3.242577 3.571745 2.345295 3.148320 13 H 5.247253 4.157200 4.480853 3.003416 3.558036 14 C 5.075743 3.886173 3.924037 3.489397 4.364860 15 C 2.839220 2.596573 3.501568 1.529749 2.150335 16 H 2.212517 2.780658 3.827815 2.190872 2.696645 17 C 3.448694 3.122021 3.842030 2.353554 3.272920 18 H 2.982357 2.945812 3.652707 2.733497 3.773940 19 H 4.226836 4.177066 4.924888 3.318345 4.119623 20 O 4.120859 3.791213 4.586379 2.418252 2.531891 21 H 5.676996 4.780371 4.922623 4.339560 5.243774 22 H 4.574185 3.447761 3.403117 3.494919 4.457380 23 H 5.874121 4.393791 4.200251 3.972791 4.683501 24 P 4.743754 4.749736 5.590237 3.517165 3.212676 25 O 6.175574 5.990212 6.733555 4.612234 4.237365 26 O 4.355290 4.340916 5.126244 3.377495 2.775172 27 O 4.695114 5.354164 6.345067 4.378156 4.361007 28 H 5.455988 6.056016 7.028737 4.983913 5.019827 29 H 3.499933 3.807827 3.855765 5.122882 5.238748 11 12 13 14 15 11 O 0.000000 12 C 1.409553 0.000000 13 H 2.027658 1.086656 0.000000 14 C 2.396811 1.521785 2.142659 0.000000 15 C 2.331314 2.370537 2.832923 3.714913 0.000000 16 H 3.279291 3.341485 3.868130 4.548389 1.079392 17 C 2.347168 1.532682 2.151759 2.571188 1.523742 18 H 2.849856 2.168413 3.023433 2.657173 2.154055 19 H 3.254439 2.193964 2.378826 3.108930 2.175238 20 O 2.899623 2.864142 2.782208 4.369758 1.405862 21 H 3.343147 2.163048 2.490112 1.089161 4.241321 22 H 2.667871 2.154284 3.045123 1.084661 3.874002 23 H 2.652866 2.157280 2.478455 1.086501 4.456028 24 P 4.295506 4.481184 4.344689 5.992469 2.663109 25 O 5.066859 5.126693 4.677661 6.623788 3.817583 26 O 4.450440 5.028381 5.106601 6.492564 3.029228 27 O 5.267946 5.167803 5.144522 6.575952 3.127237 28 H 5.689188 5.398858 5.223134 6.777791 3.640511 29 H 6.146432 7.023039 7.957532 7.451927 5.894840 16 17 18 19 20 16 H 0.000000 17 C 2.192750 0.000000 18 H 2.443437 1.084954 0.000000 19 H 2.682382 1.083571 1.767948 0.000000 20 O 2.055188 2.355287 3.289787 2.516462 0.000000 21 H 5.012125 2.857772 2.904011 3.035666 4.793310 22 H 4.533295 2.812151 2.490208 3.524320 4.814764 23 H 5.372432 3.502552 3.692540 4.040073 4.960739 24 P 2.753570 3.882450 4.694955 3.939405 1.635402 25 O 4.107369 4.767316 5.719621 4.618379 2.484318 26 O 2.917740 4.508247 5.143659 4.858009 2.534940 27 O 2.744301 4.121381 4.732507 3.925310 2.512878 28 H 3.408811 4.380648 5.063761 3.957734 2.835600 29 H 5.457152 6.615418 6.129801 7.555212 7.030457 21 22 23 24 25 21 H 0.000000 22 H 1.766633 0.000000 23 H 1.762297 1.758840 0.000000 24 P 6.425084 6.387477 6.545484 0.000000 25 O 6.959093 7.208186 7.053360 1.475688 0.000000 26 O 7.107708 6.711835 6.990229 1.469781 2.608890 27 O 6.829146 6.872709 7.321947 1.644971 2.506233 28 H 6.902769 7.180723 7.520067 2.120249 2.442135 29 H 8.282013 6.719203 7.926011 7.370827 8.776745 26 27 28 29 26 O 0.000000 27 O 2.513957 0.000000 28 H 3.277615 0.947115 0.000000 29 H 6.396551 7.622807 8.510407 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.711693 -0.661762 0.139620 2 8 0 -4.187241 -0.376290 1.509862 3 8 0 -4.273411 -0.005994 -1.068156 4 8 0 -3.868008 -2.288506 -0.103911 5 6 0 -1.892695 -0.496502 0.119841 6 1 0 -1.363664 -1.034926 0.891522 7 6 0 -1.238140 0.256204 -0.748974 8 1 0 -1.814647 0.770922 -1.500234 9 6 0 0.248093 0.535690 -0.855304 10 1 0 0.675884 -0.012854 -1.682208 11 8 0 0.410938 1.929274 -1.132166 12 6 0 0.829112 2.634955 0.014125 13 1 0 1.844017 2.982752 -0.158583 14 6 0 -0.082370 3.832790 0.238227 15 6 0 1.088140 0.310965 0.403248 16 1 0 0.798960 -0.571774 0.953007 17 6 0 0.832018 1.611408 1.154939 18 1 0 -0.136684 1.577580 1.642379 19 1 0 1.597624 1.809069 1.895820 20 8 0 2.458662 0.280833 0.091467 21 1 0 0.239744 4.406704 1.106062 22 1 0 -1.104024 3.505065 0.397313 23 1 0 -0.067298 4.489374 -0.627311 24 15 0 3.265956 -1.122614 -0.139079 25 8 0 4.660121 -0.741812 -0.437321 26 8 0 2.449839 -2.023140 -0.965676 27 8 0 3.254618 -1.714063 1.395844 28 1 0 4.001186 -1.334692 1.838271 29 1 0 -3.934136 -2.417047 -1.040301 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5774957 0.1944502 0.1622262 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.6545601180 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.82D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999997 -0.001555 -0.000554 0.001779 Ang= -0.28 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57166875 A.U. after 11 cycles NFock= 11 Conv=0.34D-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 15 0.000433711 -0.000583972 0.000302438 2 8 -0.000051934 0.000101817 0.000011774 3 8 0.000031185 -0.000036797 0.000008869 4 8 -0.000444151 0.000468835 -0.000312643 5 6 -0.000065759 0.000243235 -0.000223905 6 1 0.000061425 -0.000232424 -0.000021319 7 6 0.000096333 -0.000205434 0.000281388 8 1 -0.000054945 0.000085803 -0.000059160 9 6 -0.000017806 0.000099531 -0.000274415 10 1 -0.000026690 -0.000037845 0.000124945 11 8 0.000005448 -0.000000192 -0.000030782 12 6 0.000006815 0.000093284 -0.000013864 13 1 0.000007067 0.000002560 0.000023766 14 6 0.000021484 0.000001399 0.000019112 15 6 0.000201167 0.000103894 -0.000028176 16 1 0.000028935 -0.000048756 0.000134104 17 6 -0.000022532 -0.000092107 -0.000061069 18 1 -0.000011110 0.000041768 -0.000015235 19 1 -0.000010050 0.000004534 0.000007497 20 8 -0.000227943 -0.000504496 0.000011023 21 1 -0.000017674 0.000005052 -0.000003542 22 1 -0.000003192 -0.000013908 -0.000011447 23 1 -0.000007560 0.000009366 -0.000003922 24 15 -0.000237900 0.000258285 0.000395973 25 8 0.000031748 0.000025900 -0.000171177 26 8 0.000058723 0.000043437 0.000055426 27 8 0.000201752 0.000087383 -0.000229682 28 1 -0.000038005 0.000039060 0.000017277 29 1 0.000051457 0.000040786 0.000066747 ------------------------------------------------------------------- Cartesian Forces: Max 0.000583972 RMS 0.000166450 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000686380 RMS 0.000095927 Search for a local minimum. Step number 22 out of a maximum of 161 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 19 20 21 22 DE= -1.70D-05 DEPred=-1.64D-05 R= 1.04D+00 TightC=F SS= 1.41D+00 RLast= 7.92D-02 DXNew= 2.5586D+00 2.3773D-01 Trust test= 1.04D+00 RLast= 7.92D-02 DXMaxT set to 1.52D+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 Eigenvalues --- 0.00064 0.00228 0.00259 0.00330 0.00472 Eigenvalues --- 0.01079 0.02406 0.02657 0.03102 0.03212 Eigenvalues --- 0.03444 0.04159 0.04248 0.04361 0.04926 Eigenvalues --- 0.05091 0.05167 0.05493 0.05517 0.05548 Eigenvalues --- 0.05788 0.06582 0.06623 0.07726 0.07949 Eigenvalues --- 0.08305 0.08650 0.12045 0.13417 0.14576 Eigenvalues --- 0.15317 0.15644 0.15859 0.15989 0.16005 Eigenvalues --- 0.16050 0.16124 0.16147 0.16416 0.17218 Eigenvalues --- 0.18615 0.19300 0.19973 0.20823 0.21010 Eigenvalues --- 0.21711 0.22291 0.23578 0.24484 0.25216 Eigenvalues --- 0.26169 0.27265 0.28409 0.28769 0.29585 Eigenvalues --- 0.30287 0.32225 0.33499 0.33568 0.33618 Eigenvalues --- 0.33757 0.34161 0.34548 0.34621 0.34924 Eigenvalues --- 0.36212 0.37685 0.39082 0.42646 0.43804 Eigenvalues --- 0.45952 0.48318 0.53184 0.54329 0.56232 Eigenvalues --- 0.59523 0.61846 0.67273 0.69791 0.99049 Eigenvalues --- 1.01191 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 22 21 20 19 18 17 16 15 14 13 RFO step: Lambda=-1.86589535D-05. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. RFO-DIIS uses 6 points instead of 10 DidBck=T Rises=F RFO-DIIS coefs: 0.25925 1.05319 -0.92610 0.02464 0.60858 RFO-DIIS coefs: -0.01957 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.01350695 RMS(Int)= 0.00008508 Iteration 2 RMS(Cart)= 0.00010882 RMS(Int)= 0.00001097 Iteration 3 RMS(Cart)= 0.00000001 RMS(Int)= 0.00001097 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79348 -0.00006 -0.00050 0.00040 -0.00009 2.79338 R2 2.80564 0.00001 -0.00024 0.00047 0.00023 2.80588 R3 3.12236 0.00069 0.00170 0.00074 0.00244 3.12481 R4 3.45177 -0.00007 -0.00028 -0.00072 -0.00100 3.45076 R5 1.79048 -0.00002 -0.00003 0.00001 -0.00003 1.79045 R6 2.03991 -0.00013 -0.00017 0.00008 -0.00009 2.03982 R7 2.49977 0.00016 -0.00008 0.00042 0.00034 2.50010 R8 2.03678 -0.00004 -0.00009 -0.00020 -0.00029 2.03649 R9 2.86486 -0.00004 -0.00058 0.00007 -0.00051 2.86435 R10 2.04202 0.00007 0.00009 -0.00003 0.00006 2.04208 R11 2.70254 -0.00004 -0.00003 0.00083 0.00079 2.70333 R12 2.89081 0.00001 0.00022 0.00029 0.00051 2.89132 R13 2.66367 -0.00004 -0.00069 0.00049 -0.00021 2.66346 R14 2.05348 0.00002 0.00027 -0.00020 0.00007 2.05356 R15 2.87576 -0.00000 -0.00041 0.00032 -0.00009 2.87566 R16 2.89635 -0.00006 -0.00047 -0.00009 -0.00055 2.89580 R17 2.05822 -0.00002 -0.00008 -0.00001 -0.00009 2.05812 R18 2.04971 0.00001 0.00008 -0.00000 0.00008 2.04979 R19 2.05319 -0.00001 -0.00006 -0.00001 -0.00007 2.05312 R20 2.03976 -0.00013 -0.00019 0.00004 -0.00015 2.03960 R21 2.87946 -0.00001 -0.00035 0.00070 0.00036 2.87981 R22 2.65669 -0.00001 -0.00037 0.00036 -0.00001 2.65669 R23 2.05027 0.00000 0.00024 -0.00020 0.00004 2.05030 R24 2.04765 -0.00001 -0.00003 0.00003 -0.00000 2.04765 R25 3.09046 0.00045 0.00010 0.00111 0.00121 3.09167 R26 2.78865 -0.00014 -0.00004 -0.00011 -0.00014 2.78850 R27 2.77748 -0.00006 -0.00027 0.00018 -0.00008 2.77740 R28 3.10855 0.00030 0.00084 0.00012 0.00095 3.10950 R29 1.78979 -0.00002 -0.00005 -0.00004 -0.00009 1.78970 A1 2.14963 0.00003 0.00067 -0.00073 -0.00007 2.14956 A2 1.87163 -0.00006 -0.00042 0.00033 -0.00008 1.87155 A3 1.88907 0.00002 0.00035 0.00023 0.00058 1.88965 A4 1.85372 -0.00001 -0.00094 0.00043 -0.00051 1.85322 A5 1.90498 -0.00006 -0.00005 -0.00018 -0.00023 1.90475 A6 1.75350 0.00009 0.00028 0.00010 0.00038 1.75388 A7 1.86068 -0.00002 -0.00067 -0.00018 -0.00085 1.85983 A8 2.02103 0.00009 0.00080 0.00084 0.00165 2.02268 A9 2.15478 -0.00023 -0.00122 -0.00018 -0.00140 2.15338 A10 2.10695 0.00014 0.00039 -0.00068 -0.00029 2.10666 A11 2.05428 -0.00020 -0.00018 -0.00013 -0.00030 2.05397 A12 2.26018 0.00027 0.00033 -0.00170 -0.00136 2.25882 A13 1.96866 -0.00006 -0.00017 0.00184 0.00168 1.97034 A14 1.92644 -0.00001 0.00241 -0.00127 0.00115 1.92759 A15 1.88058 -0.00013 -0.00223 0.00210 -0.00009 1.88049 A16 2.04156 0.00022 0.00068 -0.00186 -0.00117 2.04039 A17 1.87700 -0.00001 -0.00003 0.00012 0.00012 1.87712 A18 1.91516 -0.00006 -0.00106 0.00093 -0.00014 1.91502 A19 1.81305 -0.00003 -0.00009 0.00028 0.00015 1.81320 A20 1.94357 0.00001 0.00052 -0.00029 0.00015 1.94372 A21 1.88396 0.00000 0.00173 -0.00105 0.00069 1.88465 A22 1.91360 -0.00002 -0.00167 0.00113 -0.00053 1.91307 A23 1.84578 0.00001 -0.00050 0.00024 -0.00028 1.84550 A24 1.90804 -0.00000 0.00016 -0.00024 -0.00009 1.90795 A25 1.90739 -0.00002 -0.00080 -0.00014 -0.00093 1.90645 A26 2.00113 0.00002 0.00113 0.00000 0.00114 2.00227 A27 1.93367 0.00000 0.00045 -0.00014 0.00031 1.93398 A28 1.92616 0.00002 -0.00010 0.00025 0.00015 1.92631 A29 1.92842 -0.00001 -0.00053 0.00004 -0.00049 1.92792 A30 1.89749 -0.00001 0.00014 -0.00007 0.00007 1.89756 A31 1.88832 0.00001 0.00014 -0.00002 0.00012 1.88843 A32 1.88862 -0.00000 -0.00008 -0.00007 -0.00015 1.88846 A33 1.97365 0.00004 -0.00063 0.00041 -0.00020 1.97345 A34 1.76011 -0.00001 0.00000 -0.00012 -0.00013 1.75998 A35 1.93481 -0.00002 0.00044 -0.00013 0.00030 1.93511 A36 1.98414 -0.00004 -0.00106 0.00102 -0.00004 1.98410 A37 1.93542 -0.00001 0.00163 -0.00145 0.00018 1.93561 A38 1.86665 0.00004 -0.00056 0.00043 -0.00013 1.86652 A39 1.77530 -0.00001 -0.00120 0.00046 -0.00076 1.77454 A40 1.93214 0.00005 0.00044 -0.00006 0.00038 1.93252 A41 1.96974 -0.00002 0.00033 -0.00018 0.00017 1.96991 A42 1.92314 -0.00002 -0.00035 0.00005 -0.00029 1.92285 A43 1.95435 0.00000 -0.00014 0.00033 0.00019 1.95454 A44 1.90641 0.00000 0.00079 -0.00054 0.00025 1.90666 A45 2.13044 0.00011 -0.00217 0.00283 0.00065 2.13109 A46 1.84773 0.00006 0.00099 -0.00124 -0.00026 1.84747 A47 1.90813 0.00009 0.00028 -0.00021 0.00007 1.90820 A48 1.74529 -0.00004 -0.00006 -0.00033 -0.00038 1.74491 A49 2.17613 0.00001 0.00065 -0.00056 0.00009 2.17622 A50 1.86281 -0.00009 -0.00115 0.00119 0.00004 1.86284 A51 1.87617 -0.00004 -0.00088 0.00120 0.00032 1.87649 A52 1.86129 -0.00002 -0.00044 0.00025 -0.00019 1.86111 D1 2.72009 0.00003 -0.00402 0.00242 -0.00160 2.71849 D2 0.39238 0.00005 -0.00392 0.00281 -0.00111 0.39127 D3 -1.59111 0.00008 -0.00366 0.00283 -0.00083 -1.59194 D4 0.88002 -0.00010 -0.00317 -0.00107 -0.00425 0.87577 D5 -2.23040 -0.00006 -0.00224 -0.00029 -0.00253 -2.23293 D6 -3.02264 -0.00009 -0.00203 -0.00202 -0.00405 -3.02669 D7 0.15012 -0.00005 -0.00109 -0.00123 -0.00233 0.14780 D8 -1.07857 -0.00008 -0.00296 -0.00156 -0.00452 -1.08309 D9 2.09420 -0.00004 -0.00203 -0.00077 -0.00280 2.09140 D10 -0.03451 -0.00003 -0.00053 -0.00117 -0.00171 -0.03622 D11 3.09377 0.00001 0.00023 -0.00050 -0.00026 3.09351 D12 3.13974 0.00002 0.00044 -0.00037 0.00006 3.13980 D13 -0.01517 0.00006 0.00120 0.00030 0.00151 -0.01366 D14 1.83395 0.00008 -0.01765 -0.00051 -0.01814 1.81581 D15 -2.40435 -0.00001 -0.01759 0.00016 -0.01742 -2.42176 D16 -0.37179 -0.00001 -0.01889 0.00090 -0.01800 -0.38979 D17 -1.32043 0.00011 -0.01689 0.00012 -0.01676 -1.33719 D18 0.72446 0.00002 -0.01683 0.00079 -0.01604 0.70842 D19 2.75702 0.00002 -0.01813 0.00154 -0.01662 2.74040 D20 1.81571 0.00012 0.00585 -0.00133 0.00453 1.82024 D21 -2.39073 0.00003 0.00752 -0.00163 0.00590 -2.38484 D22 -0.36117 -0.00005 0.00626 -0.00039 0.00586 -0.35531 D23 0.70023 0.00007 -0.00067 -0.00083 -0.00150 0.69872 D24 -1.42473 0.00011 0.00089 -0.00217 -0.00128 -1.42601 D25 2.88629 0.00008 0.00137 -0.00255 -0.00118 2.88512 D26 -1.51107 -0.00004 -0.00365 0.00164 -0.00201 -1.51308 D27 2.64717 -0.00001 -0.00209 0.00030 -0.00179 2.64538 D28 0.67500 -0.00003 -0.00162 -0.00007 -0.00168 0.67332 D29 2.76953 0.00001 -0.00311 0.00095 -0.00216 2.76737 D30 0.64457 0.00005 -0.00155 -0.00038 -0.00194 0.64264 D31 -1.32759 0.00002 -0.00107 -0.00076 -0.00183 -1.32943 D32 1.96073 0.00002 -0.00854 0.00029 -0.00826 1.95248 D33 -2.24546 0.00001 -0.00827 0.00002 -0.00826 -2.25372 D34 -0.07914 0.00003 -0.00819 0.00083 -0.00737 -0.08651 D35 -3.11638 0.00001 0.00152 -0.00037 0.00114 -3.11524 D36 1.06425 0.00001 0.00112 -0.00036 0.00075 1.06500 D37 -1.02383 0.00001 0.00164 -0.00046 0.00117 -1.02266 D38 -1.05429 -0.00000 0.00274 -0.00112 0.00161 -1.05268 D39 3.12634 -0.00000 0.00234 -0.00111 0.00122 3.12756 D40 1.03826 0.00000 0.00285 -0.00121 0.00164 1.03990 D41 1.09414 -0.00001 0.00262 -0.00149 0.00114 1.09528 D42 -1.00841 -0.00001 0.00222 -0.00148 0.00075 -1.00766 D43 -3.09649 -0.00000 0.00273 -0.00158 0.00116 -3.09533 D44 0.48491 0.00000 0.00673 -0.00096 0.00577 0.49068 D45 -1.55844 0.00001 0.00759 -0.00124 0.00635 -1.55209 D46 2.58183 -0.00001 0.00599 -0.00037 0.00562 2.58745 D47 -1.53908 0.00001 0.00536 0.00021 0.00557 -1.53351 D48 2.70075 0.00001 0.00622 -0.00007 0.00615 2.70690 D49 0.55784 -0.00001 0.00462 0.00080 0.00542 0.56325 D50 2.59532 0.00000 0.00496 0.00064 0.00559 2.60091 D51 0.55197 0.00001 0.00581 0.00035 0.00617 0.55814 D52 -1.59095 -0.00001 0.00422 0.00122 0.00544 -1.58551 D53 -0.67675 -0.00003 -0.00311 0.00078 -0.00231 -0.67905 D54 1.37311 0.00001 -0.00338 0.00098 -0.00239 1.37072 D55 -2.78446 0.00000 -0.00272 0.00056 -0.00215 -2.78661 D56 -2.79431 -0.00005 -0.00185 -0.00013 -0.00196 -2.79627 D57 -0.74445 -0.00000 -0.00212 0.00007 -0.00205 -0.74650 D58 1.38116 -0.00001 -0.00145 -0.00036 -0.00181 1.37935 D59 1.34673 -0.00004 -0.00283 0.00074 -0.00208 1.34465 D60 -2.88660 0.00000 -0.00310 0.00094 -0.00216 -2.88876 D61 -0.76099 -0.00001 -0.00244 0.00052 -0.00192 -0.76291 D62 -1.68743 -0.00007 0.00072 -0.00084 -0.00013 -1.68755 D63 0.51999 -0.00004 0.00148 -0.00150 -0.00003 0.51997 D64 2.69220 -0.00006 0.00081 -0.00086 -0.00004 2.69216 D65 -3.13816 0.00020 0.00359 0.00469 0.00828 -3.12988 D66 0.76086 0.00007 0.00171 0.00661 0.00832 0.76918 D67 -1.20552 0.00011 0.00262 0.00549 0.00811 -1.19741 D68 -1.49632 -0.00001 -0.00253 0.00030 -0.00222 -1.49854 D69 0.42447 0.00001 -0.00182 -0.00082 -0.00264 0.42183 D70 2.79586 -0.00008 -0.00251 0.00027 -0.00224 2.79362 Item Value Threshold Converged? Maximum Force 0.000686 0.000450 NO RMS Force 0.000096 0.000300 YES Maximum Displacement 0.075366 0.001800 NO RMS Displacement 0.013500 0.001200 NO Predicted change in Energy=-1.498647D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.604333 1.806670 -0.647130 2 8 0 2.597879 1.517501 -1.702737 3 8 0 0.624791 0.804145 -0.157144 4 8 0 0.718187 3.108352 -1.151794 5 6 0 2.480792 2.534323 0.780055 6 1 0 3.142321 3.357631 0.557107 7 6 0 2.362607 2.078448 2.016392 8 1 0 1.687040 1.255772 2.184237 9 6 0 3.060959 2.535492 3.281662 10 1 0 2.389348 3.121178 3.892939 11 8 0 3.417448 1.368718 4.028659 12 6 0 4.795838 1.093551 3.924461 13 1 0 5.246767 1.265256 4.898158 14 6 0 4.997559 -0.361103 3.525753 15 6 0 4.386039 3.281018 3.110438 16 1 0 4.378144 3.972765 2.281985 17 6 0 5.349162 2.114698 2.924808 18 1 0 5.284269 1.733618 1.911037 19 1 0 6.373855 2.397306 3.135197 20 8 0 4.753324 3.929965 4.302247 21 1 0 6.057918 -0.602271 3.465403 22 1 0 4.540955 -0.554997 2.561129 23 1 0 4.540274 -1.022183 4.256689 24 15 0 4.429410 5.511714 4.566407 25 8 0 4.978289 5.818070 5.901437 26 8 0 3.053543 5.804348 4.140400 27 8 0 5.444450 6.197847 3.467995 28 1 0 6.286912 6.281308 3.892530 29 1 0 -0.114410 3.058860 -0.702318 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478194 0.000000 3 O 1.484806 2.605918 0.000000 4 O 1.653577 2.523408 2.511458 0.000000 5 C 1.826066 2.685497 2.704921 2.677373 0.000000 6 H 2.494208 2.964691 3.656283 2.976392 1.079427 7 C 2.782659 3.768546 3.060737 3.715134 1.322996 8 H 2.885649 4.000837 2.610442 3.936983 2.058267 9 C 4.253040 5.108325 4.556080 5.047008 2.568002 10 H 4.791284 5.824676 4.988534 5.314346 3.169038 11 O 5.034103 5.791609 5.063460 6.095034 3.576226 12 C 5.620826 6.056080 5.843020 6.815792 4.162037 13 H 6.656626 7.117025 6.865228 7.778622 5.120539 14 C 5.798808 6.051836 5.834606 7.227004 4.717676 15 C 4.902133 5.429011 5.564079 5.625795 3.101323 16 H 4.578833 5.007562 5.484265 5.092479 2.815112 17 C 5.184339 5.416676 5.790998 6.249157 3.606051 18 H 4.482352 4.508077 5.181894 5.667445 3.127256 19 H 6.115814 6.199811 6.813913 7.132353 4.552077 20 O 6.238658 6.820979 6.833865 6.834028 4.417924 21 H 6.523062 6.570767 6.679799 7.974958 5.463071 22 H 4.949156 5.123607 4.957077 6.466798 4.118300 23 H 6.377272 6.762962 6.176439 7.805213 5.383046 24 P 6.992094 7.655744 7.677777 7.228219 5.196001 25 O 8.388005 9.054541 8.988815 8.674048 6.576400 26 O 6.403286 7.261331 7.026361 6.381974 4.723666 27 O 7.138851 7.532933 8.090907 7.295547 5.424915 28 H 7.909326 8.222520 8.857697 8.156197 6.181743 29 H 2.127229 3.276147 2.434620 0.947468 3.034409 6 7 8 9 10 6 H 0.000000 7 C 2.091358 0.000000 8 H 3.030381 1.077664 0.000000 9 C 2.847058 1.515749 2.174783 0.000000 10 H 3.427922 2.146958 2.625383 1.080624 0.000000 11 O 4.010380 2.380258 2.531593 1.430542 2.036302 12 C 4.381695 3.245206 3.566415 2.345675 3.146976 13 H 5.258465 4.157431 4.476283 3.000719 3.552429 14 C 5.107226 3.895196 3.920903 3.492888 4.366220 15 C 2.841163 2.595648 3.499152 1.530021 2.150496 16 H 2.209266 2.778735 3.825396 2.190910 2.697347 17 C 3.467138 3.121866 3.833711 2.353781 3.272733 18 H 3.009732 2.943827 3.639097 2.732165 3.772774 19 H 4.244006 4.176542 4.916671 3.319009 4.120007 20 O 4.116913 3.790617 4.586870 2.418728 2.531808 21 H 5.713119 4.789699 4.919175 4.342935 5.244547 22 H 4.613128 3.460777 3.400847 3.501526 4.462891 23 H 5.901183 4.401713 4.198223 3.974431 4.682546 24 P 4.729816 4.749901 5.595388 3.518682 3.214043 25 O 6.163311 5.993341 6.742733 4.616783 4.243808 26 O 4.339849 4.344091 5.136482 3.379778 2.775210 27 O 4.673318 5.345499 6.339580 4.373625 4.356618 28 H 5.437039 6.048479 7.023753 4.981071 5.017711 29 H 3.504527 3.806337 3.850786 5.121424 5.233457 11 12 13 14 15 11 O 0.000000 12 C 1.409444 0.000000 13 H 2.028087 1.086695 0.000000 14 C 2.396236 1.521735 2.142579 0.000000 15 C 2.331993 2.369722 2.828443 3.716381 0.000000 16 H 3.279462 3.340969 3.863868 4.551159 1.079310 17 C 2.346592 1.532389 2.150848 2.571838 1.523932 18 H 2.846489 2.168439 3.023849 2.660332 2.154026 19 H 3.255243 2.193821 2.379053 3.107338 2.175539 20 O 2.901620 2.861779 2.774756 4.367592 1.405859 21 H 3.342774 2.163191 2.489661 1.089113 4.242772 22 H 2.667695 2.154379 3.045193 1.084703 3.878241 23 H 2.651253 2.156853 2.478506 1.086464 4.455919 24 P 4.298564 4.479568 4.337111 5.991305 2.664156 25 O 5.073485 5.124725 4.669771 6.620153 3.817993 26 O 4.451935 5.027308 5.097821 6.493826 3.033737 27 O 5.267217 5.165550 5.139543 6.574411 3.123455 28 H 5.690861 5.397884 5.220533 6.776326 3.636857 29 H 6.141071 7.027094 7.957673 7.463575 5.902584 16 17 18 19 20 16 H 0.000000 17 C 2.192832 0.000000 18 H 2.443859 1.084973 0.000000 19 H 2.681959 1.083571 1.768120 0.000000 20 O 2.055249 2.355325 3.289944 2.517373 0.000000 21 H 5.015285 2.859458 2.910492 3.034192 4.789931 22 H 4.539280 2.812959 2.492568 3.522098 4.815753 23 H 5.373570 3.502603 3.694597 4.038894 4.956938 24 P 2.754918 3.883363 4.696358 3.940654 1.636041 25 O 4.106794 4.765798 5.718363 4.615334 2.484544 26 O 2.926255 4.512322 5.149470 4.862390 2.535500 27 O 2.737630 4.120223 4.730658 3.926660 2.513348 28 H 3.400973 4.379098 5.060939 3.958103 2.837001 29 H 5.470313 6.625565 6.142607 7.567150 7.035576 21 22 23 24 25 21 H 0.000000 22 H 1.766670 0.000000 23 H 1.762301 1.758746 0.000000 24 P 6.422232 6.390506 6.542172 0.000000 25 O 6.951305 7.208669 7.048837 1.475611 0.000000 26 O 7.108211 6.719208 6.987518 1.469738 2.608848 27 O 6.827735 6.873109 7.319044 1.645476 2.506627 28 H 6.900619 7.180256 7.518267 2.120542 2.441883 29 H 8.298880 6.736652 7.931755 7.377144 8.783985 26 27 28 29 26 O 0.000000 27 O 2.514638 0.000000 28 H 3.277744 0.947068 0.000000 29 H 6.405118 7.625331 8.513150 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.710351 -0.660530 0.142597 2 8 0 -4.177556 -0.401325 1.520853 3 8 0 -4.276150 0.021811 -1.048592 4 8 0 -3.875397 -2.282485 -0.133694 5 6 0 -1.891377 -0.502060 0.115459 6 1 0 -1.358762 -1.054283 0.874758 7 6 0 -1.240223 0.264113 -0.744364 8 1 0 -1.820190 0.792357 -1.483253 9 6 0 0.246184 0.539950 -0.853913 10 1 0 0.671974 -0.009172 -1.681510 11 8 0 0.411756 1.933747 -1.130258 12 6 0 0.839911 2.636775 0.013843 13 1 0 1.857807 2.974564 -0.161354 14 6 0 -0.059435 3.843678 0.237986 15 6 0 1.087137 0.312482 0.403870 16 1 0 0.795031 -0.568789 0.954277 17 6 0 0.836782 1.614408 1.155321 18 1 0 -0.132536 1.585110 1.641870 19 1 0 1.602785 1.808667 1.896690 20 8 0 2.457230 0.277085 0.090769 21 1 0 0.270645 4.416779 1.103299 22 1 0 -1.083775 3.526185 0.400795 23 1 0 -0.040644 4.497655 -0.629405 24 15 0 3.260266 -1.129481 -0.140171 25 8 0 4.657688 -0.753188 -0.428343 26 8 0 2.445554 -2.023440 -0.975162 27 8 0 3.236864 -1.726143 1.393139 28 1 0 3.983445 -1.352963 1.840679 29 1 0 -3.948301 -2.390519 -1.072155 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5754720 0.1947484 0.1622613 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.4919063152 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.83D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 0.999998 -0.001590 -0.000091 0.001053 Ang= -0.22 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57166857 A.U. after 10 cycles NFock= 10 Conv=0.94D-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 15 -0.000154663 -0.000163452 -0.000067160 2 8 -0.000014750 0.000098376 0.000035193 3 8 0.000106466 0.000050728 -0.000033334 4 8 -0.000067968 -0.000057713 -0.000098596 5 6 0.000071495 0.000103774 0.000106052 6 1 -0.000005540 -0.000208858 -0.000109962 7 6 0.000120022 -0.000020688 -0.000091088 8 1 -0.000063774 0.000031955 0.000060170 9 6 0.000121895 -0.000023681 -0.000023386 10 1 -0.000040879 -0.000057418 0.000098273 11 8 -0.000054069 0.000180906 -0.000118567 12 6 0.000081122 0.000079792 0.000056391 13 1 -0.000027229 -0.000037735 0.000028625 14 6 -0.000023181 0.000039278 -0.000024543 15 6 0.000145221 0.000034540 0.000106682 16 1 0.000063213 -0.000017446 0.000114848 17 6 -0.000115746 0.000013572 -0.000078290 18 1 -0.000011676 0.000010798 -0.000021930 19 1 -0.000010563 0.000008122 0.000006361 20 8 -0.000220646 -0.000188882 0.000020436 21 1 0.000003106 0.000013814 -0.000003490 22 1 0.000003611 -0.000005606 -0.000009684 23 1 0.000003905 -0.000024218 0.000001612 24 15 0.000017815 -0.000052384 0.000019078 25 8 0.000024220 0.000059869 -0.000112258 26 8 0.000081371 0.000060564 0.000042792 27 8 -0.000071571 -0.000007968 -0.000011722 28 1 0.000013884 0.000028666 0.000040525 29 1 0.000024908 0.000051295 0.000066974 ------------------------------------------------------------------- Cartesian Forces: Max 0.000220646 RMS 0.000077412 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000489388 RMS 0.000081933 Search for a local minimum. Step number 23 out of a maximum of 161 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 19 20 21 22 23 DE= 1.82D-07 DEPred=-1.50D-06 R=-1.21D-01 Trust test=-1.21D-01 RLast= 5.26D-02 DXMaxT set to 7.61D-01 ITU= -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 0 1 0 Eigenvalues --- 0.00072 0.00229 0.00270 0.00322 0.00442 Eigenvalues --- 0.01079 0.02183 0.02407 0.03110 0.03221 Eigenvalues --- 0.03457 0.04038 0.04213 0.04365 0.04815 Eigenvalues --- 0.05102 0.05154 0.05493 0.05519 0.05553 Eigenvalues --- 0.05784 0.06574 0.06622 0.07735 0.07955 Eigenvalues --- 0.08335 0.08645 0.12057 0.13523 0.14566 Eigenvalues --- 0.15455 0.15611 0.15874 0.16000 0.16004 Eigenvalues --- 0.16050 0.16125 0.16148 0.16670 0.17225 Eigenvalues --- 0.18588 0.19309 0.19973 0.20796 0.21041 Eigenvalues --- 0.21677 0.22325 0.23888 0.24430 0.25321 Eigenvalues --- 0.26192 0.27508 0.28420 0.28796 0.29644 Eigenvalues --- 0.30778 0.32393 0.33502 0.33569 0.33626 Eigenvalues --- 0.33760 0.34176 0.34560 0.34658 0.34935 Eigenvalues --- 0.36203 0.37759 0.39110 0.42563 0.43532 Eigenvalues --- 0.45950 0.48319 0.52544 0.54327 0.56483 Eigenvalues --- 0.59534 0.61804 0.67275 0.69909 0.99061 Eigenvalues --- 1.01142 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 23 22 21 20 19 18 17 16 15 14 RFO step: Lambda=-1.74153472D-05. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. RFO-DIIS uses 6 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.71893 -1.58004 1.13118 -0.11459 -0.32374 RFO-DIIS coefs: 0.16826 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.02484025 RMS(Int)= 0.00034413 Iteration 2 RMS(Cart)= 0.00045283 RMS(Int)= 0.00000381 Iteration 3 RMS(Cart)= 0.00000013 RMS(Int)= 0.00000381 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79338 -0.00005 -0.00020 0.00023 0.00003 2.79341 R2 2.80588 -0.00012 -0.00055 0.00035 -0.00020 2.80567 R3 3.12481 0.00003 -0.00045 0.00086 0.00041 3.12522 R4 3.45076 0.00013 0.00039 -0.00039 -0.00000 3.45076 R5 1.79045 0.00001 0.00004 -0.00001 0.00003 1.79049 R6 2.03982 -0.00014 -0.00030 0.00004 -0.00026 2.03957 R7 2.50010 0.00005 -0.00025 0.00028 0.00003 2.50013 R8 2.03649 0.00002 0.00027 -0.00016 0.00010 2.03659 R9 2.86435 0.00014 -0.00031 -0.00028 -0.00058 2.86377 R10 2.04208 0.00005 0.00015 -0.00001 0.00014 2.04222 R11 2.70333 -0.00020 -0.00042 0.00061 0.00019 2.70352 R12 2.89132 -0.00001 -0.00072 0.00021 -0.00052 2.89080 R13 2.66346 -0.00003 -0.00026 0.00037 0.00011 2.66358 R14 2.05356 0.00001 0.00015 -0.00014 0.00001 2.05357 R15 2.87566 -0.00001 -0.00012 0.00010 -0.00001 2.87565 R16 2.89580 -0.00007 0.00015 0.00004 0.00019 2.89599 R17 2.05812 0.00000 0.00003 -0.00003 0.00000 2.05813 R18 2.04979 0.00001 -0.00003 0.00001 -0.00003 2.04976 R19 2.05312 0.00001 0.00003 -0.00002 0.00002 2.05313 R20 2.03960 -0.00010 -0.00011 -0.00003 -0.00013 2.03947 R21 2.87981 -0.00011 -0.00056 0.00048 -0.00008 2.87973 R22 2.65669 -0.00009 -0.00017 0.00020 0.00004 2.65672 R23 2.05030 0.00002 0.00000 -0.00015 -0.00015 2.05015 R24 2.04765 -0.00001 -0.00003 0.00008 0.00005 2.04770 R25 3.09167 0.00007 -0.00062 0.00086 0.00025 3.09192 R26 2.78850 -0.00008 -0.00001 -0.00013 -0.00014 2.78837 R27 2.77740 -0.00008 -0.00015 0.00008 -0.00007 2.77733 R28 3.10950 -0.00005 0.00009 0.00029 0.00038 3.10988 R29 1.78970 0.00003 0.00008 -0.00007 0.00001 1.78971 A1 2.14956 0.00004 0.00066 -0.00026 0.00040 2.14996 A2 1.87155 -0.00004 -0.00047 -0.00000 -0.00047 1.87108 A3 1.88965 -0.00004 -0.00074 0.00040 -0.00034 1.88931 A4 1.85322 -0.00000 0.00038 -0.00012 0.00026 1.85348 A5 1.90475 -0.00003 0.00020 -0.00005 0.00016 1.90490 A6 1.75388 0.00008 -0.00017 0.00007 -0.00010 1.75378 A7 1.85983 0.00001 0.00052 -0.00022 0.00029 1.86012 A8 2.02268 -0.00006 -0.00197 0.00086 -0.00111 2.02157 A9 2.15338 -0.00013 0.00073 -0.00039 0.00035 2.15373 A10 2.10666 0.00019 0.00122 -0.00050 0.00072 2.10737 A11 2.05397 -0.00020 -0.00080 -0.00008 -0.00089 2.05308 A12 2.25882 0.00049 0.00366 -0.00102 0.00263 2.26146 A13 1.97034 -0.00029 -0.00285 0.00110 -0.00176 1.96858 A14 1.92759 -0.00005 -0.00044 -0.00111 -0.00155 1.92604 A15 1.88049 -0.00019 -0.00240 0.00102 -0.00138 1.87911 A16 2.04039 0.00030 0.00433 -0.00066 0.00367 2.04406 A17 1.87712 0.00000 -0.00080 0.00032 -0.00049 1.87663 A18 1.91502 -0.00007 -0.00071 0.00058 -0.00013 1.91489 A19 1.81320 -0.00001 -0.00042 0.00004 -0.00038 1.81283 A20 1.94372 0.00002 -0.00003 -0.00013 -0.00014 1.94358 A21 1.88465 -0.00001 0.00022 -0.00048 -0.00026 1.88438 A22 1.91307 0.00004 -0.00056 0.00061 0.00004 1.91312 A23 1.84550 -0.00002 0.00003 0.00029 0.00034 1.84584 A24 1.90795 0.00000 0.00028 -0.00017 0.00012 1.90807 A25 1.90645 0.00003 0.00039 -0.00027 0.00012 1.90657 A26 2.00227 -0.00004 -0.00034 -0.00000 -0.00035 2.00192 A27 1.93398 -0.00003 0.00012 -0.00017 -0.00006 1.93392 A28 1.92631 0.00001 -0.00032 0.00020 -0.00011 1.92620 A29 1.92792 0.00003 0.00006 -0.00005 0.00001 1.92794 A30 1.89756 0.00000 0.00007 -0.00003 0.00005 1.89760 A31 1.88843 -0.00000 -0.00002 0.00005 0.00003 1.88846 A32 1.88846 -0.00001 0.00009 -0.00001 0.00008 1.88855 A33 1.97345 0.00005 0.00069 0.00037 0.00106 1.97451 A34 1.75998 -0.00001 0.00025 0.00015 0.00040 1.76038 A35 1.93511 -0.00002 -0.00075 -0.00022 -0.00097 1.93414 A36 1.98410 -0.00006 -0.00035 0.00041 0.00006 1.98417 A37 1.93561 -0.00001 0.00014 -0.00082 -0.00069 1.93492 A38 1.86652 0.00005 -0.00004 0.00020 0.00016 1.86668 A39 1.77454 -0.00001 -0.00022 0.00035 0.00015 1.77469 A40 1.93252 0.00003 0.00019 -0.00007 0.00011 1.93263 A41 1.96991 -0.00002 -0.00014 -0.00004 -0.00019 1.96972 A42 1.92285 -0.00001 0.00027 -0.00024 0.00003 1.92288 A43 1.95454 0.00000 -0.00040 0.00030 -0.00011 1.95443 A44 1.90666 0.00000 0.00028 -0.00027 0.00002 1.90668 A45 2.13109 -0.00000 -0.00177 0.00108 -0.00069 2.13041 A46 1.84747 0.00008 0.00083 -0.00076 0.00007 1.84754 A47 1.90820 0.00009 0.00034 -0.00021 0.00013 1.90833 A48 1.74491 0.00004 0.00003 -0.00013 -0.00011 1.74480 A49 2.17622 -0.00001 0.00038 -0.00025 0.00013 2.17635 A50 1.86284 -0.00011 -0.00069 0.00063 -0.00006 1.86279 A51 1.87649 -0.00008 -0.00096 0.00075 -0.00021 1.87628 A52 1.86111 -0.00003 -0.00020 0.00002 -0.00018 1.86092 D1 2.71849 0.00007 0.00265 0.00059 0.00324 2.72173 D2 0.39127 0.00004 0.00189 0.00099 0.00288 0.39415 D3 -1.59194 0.00004 0.00161 0.00106 0.00267 -1.58928 D4 0.87577 -0.00006 0.00362 -0.00277 0.00085 0.87662 D5 -2.23293 -0.00006 0.00424 -0.00182 0.00242 -2.23051 D6 -3.02669 -0.00007 0.00406 -0.00282 0.00124 -3.02545 D7 0.14780 -0.00006 0.00468 -0.00187 0.00280 0.15060 D8 -1.08309 -0.00004 0.00447 -0.00294 0.00153 -1.08155 D9 2.09140 -0.00004 0.00509 -0.00199 0.00310 2.09450 D10 -0.03622 0.00001 0.00041 -0.00080 -0.00039 -0.03661 D11 3.09351 0.00005 -0.00157 -0.00012 -0.00169 3.09182 D12 3.13980 0.00003 0.00111 0.00017 0.00128 3.14107 D13 -0.01366 0.00007 -0.00087 0.00084 -0.00002 -0.01369 D14 1.81581 0.00010 0.04226 0.00005 0.04231 1.85812 D15 -2.42176 -0.00003 0.03965 0.00041 0.04007 -2.38170 D16 -0.38979 -0.00000 0.04002 0.00079 0.04082 -0.34897 D17 -1.33719 0.00014 0.04037 0.00069 0.04106 -1.29612 D18 0.70842 0.00001 0.03776 0.00106 0.03882 0.74724 D19 2.74040 0.00004 0.03814 0.00144 0.03957 2.77997 D20 1.82024 0.00019 0.00141 -0.00111 0.00029 1.82054 D21 -2.38484 0.00003 -0.00084 -0.00170 -0.00254 -2.38738 D22 -0.35531 -0.00006 -0.00218 -0.00089 -0.00307 -0.35839 D23 0.69872 0.00009 0.00231 -0.00037 0.00192 0.70065 D24 -1.42601 0.00013 0.00222 -0.00114 0.00108 -1.42493 D25 2.88512 0.00009 0.00242 -0.00136 0.00105 2.88617 D26 -1.51308 -0.00003 -0.00004 0.00120 0.00116 -1.51192 D27 2.64538 0.00002 -0.00012 0.00043 0.00031 2.64569 D28 0.67332 -0.00003 0.00008 0.00021 0.00029 0.67361 D29 2.76737 0.00000 0.00141 0.00056 0.00197 2.76934 D30 0.64264 0.00005 0.00133 -0.00021 0.00112 0.64376 D31 -1.32943 0.00001 0.00152 -0.00042 0.00110 -1.32833 D32 1.95248 0.00007 0.00285 0.00115 0.00400 1.95648 D33 -2.25372 0.00008 0.00301 0.00101 0.00401 -2.24970 D34 -0.08651 0.00005 0.00228 0.00154 0.00382 -0.08269 D35 -3.11524 -0.00002 -0.00052 0.00017 -0.00035 -3.11558 D36 1.06500 -0.00000 -0.00048 0.00018 -0.00030 1.06471 D37 -1.02266 -0.00002 -0.00043 0.00009 -0.00034 -1.02300 D38 -1.05268 -0.00001 -0.00041 -0.00016 -0.00057 -1.05325 D39 3.12756 0.00000 -0.00037 -0.00015 -0.00052 3.12704 D40 1.03990 -0.00001 -0.00032 -0.00024 -0.00056 1.03934 D41 1.09528 0.00001 0.00007 -0.00065 -0.00058 1.09470 D42 -1.00766 0.00002 0.00011 -0.00063 -0.00052 -1.00819 D43 -3.09533 0.00001 0.00016 -0.00073 -0.00057 -3.09590 D44 0.49068 -0.00001 -0.00145 -0.00157 -0.00302 0.48766 D45 -1.55209 -0.00000 -0.00173 -0.00145 -0.00318 -1.55527 D46 2.58745 -0.00002 -0.00214 -0.00102 -0.00315 2.58430 D47 -1.53351 0.00001 -0.00192 -0.00103 -0.00295 -1.53646 D48 2.70690 0.00001 -0.00220 -0.00091 -0.00311 2.70379 D49 0.56325 -0.00001 -0.00260 -0.00048 -0.00308 0.56018 D50 2.60091 0.00000 -0.00235 -0.00060 -0.00294 2.59797 D51 0.55814 0.00001 -0.00262 -0.00048 -0.00311 0.55503 D52 -1.58551 -0.00001 -0.00303 -0.00005 -0.00307 -1.58858 D53 -0.67905 -0.00002 0.00003 0.00101 0.00104 -0.67802 D54 1.37072 0.00001 0.00024 0.00101 0.00126 1.37198 D55 -2.78661 0.00001 0.00052 0.00071 0.00122 -2.78539 D56 -2.79627 -0.00005 -0.00079 0.00027 -0.00052 -2.79679 D57 -0.74650 -0.00002 -0.00057 0.00027 -0.00030 -0.74680 D58 1.37935 -0.00002 -0.00029 -0.00003 -0.00033 1.37902 D59 1.34465 -0.00003 -0.00071 0.00091 0.00020 1.34485 D60 -2.88876 -0.00000 -0.00049 0.00091 0.00042 -2.88835 D61 -0.76291 -0.00001 -0.00021 0.00060 0.00038 -0.76252 D62 -1.68755 -0.00006 -0.00025 -0.00434 -0.00458 -1.69213 D63 0.51997 -0.00002 0.00019 -0.00464 -0.00445 0.51552 D64 2.69216 -0.00006 -0.00018 -0.00452 -0.00469 2.68747 D65 -3.12988 0.00015 -0.00305 0.00390 0.00086 -3.12902 D66 0.76918 0.00003 -0.00449 0.00502 0.00053 0.76971 D67 -1.19741 0.00007 -0.00354 0.00431 0.00077 -1.19664 D68 -1.49854 -0.00001 0.00252 -0.00134 0.00118 -1.49736 D69 0.42183 0.00005 0.00322 -0.00203 0.00120 0.42303 D70 2.79362 -0.00010 0.00245 -0.00130 0.00115 2.79477 Item Value Threshold Converged? Maximum Force 0.000489 0.000450 NO RMS Force 0.000082 0.000300 YES Maximum Displacement 0.143191 0.001800 NO RMS Displacement 0.024943 0.001200 NO Predicted change in Energy=-7.942655D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.598694 1.782892 -0.636329 2 8 0 2.588767 1.441727 -1.679626 3 8 0 0.584935 0.822108 -0.132825 4 8 0 0.757697 3.102014 -1.172689 5 6 0 2.489853 2.510961 0.781508 6 1 0 3.177303 3.308771 0.545327 7 6 0 2.352838 2.082405 2.025665 8 1 0 1.651933 1.283592 2.204855 9 6 0 3.058142 2.538514 3.287041 10 1 0 2.387402 3.119944 3.903446 11 8 0 3.420577 1.369926 4.028510 12 6 0 4.798745 1.096969 3.915157 13 1 0 5.254370 1.262537 4.887736 14 6 0 4.999951 -0.354668 3.505376 15 6 0 4.380521 3.287922 3.114335 16 1 0 4.368590 3.984422 2.290014 17 6 0 5.346174 2.125265 2.919437 18 1 0 5.279423 1.749700 1.903816 19 1 0 6.370700 2.409549 3.128494 20 8 0 4.749670 3.931657 4.308415 21 1 0 6.060256 -0.594067 3.437471 22 1 0 4.538203 -0.542381 2.541995 23 1 0 4.547535 -1.021308 4.234301 24 15 0 4.427365 5.512917 4.578222 25 8 0 4.978518 5.814608 5.913299 26 8 0 3.051263 5.808262 4.154980 27 8 0 5.441486 6.201752 3.480348 28 1 0 6.284863 6.282100 3.903678 29 1 0 -0.077773 3.089911 -0.725957 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478210 0.000000 3 O 1.484699 2.606121 0.000000 4 O 1.653796 2.523163 2.511799 0.000000 5 C 1.826065 2.685186 2.704985 2.677423 0.000000 6 H 2.493316 2.963553 3.655648 2.974697 1.079292 7 C 2.782922 3.767667 3.061521 3.716658 1.323012 8 H 2.885215 3.998982 2.610785 3.938797 2.057781 9 C 4.253680 5.107939 4.556126 5.049631 2.569321 10 H 4.797847 5.833323 4.982010 5.331360 3.182429 11 O 5.024990 5.768872 5.065341 6.094549 3.565281 12 C 5.605965 6.025318 5.849607 6.799738 4.141269 13 H 6.644549 7.089978 6.870490 7.767399 5.105117 14 C 5.769873 5.993755 5.840692 7.199282 4.683148 15 C 4.906237 5.440669 5.570526 5.615869 3.101673 16 H 4.591573 5.038959 5.494217 5.080109 2.824240 17 C 5.177287 5.405728 5.803785 6.225243 3.588603 18 H 4.472270 4.491718 5.200630 5.633794 3.101740 19 H 6.110535 6.193361 6.828708 7.105314 4.536475 20 O 6.244705 6.835634 6.836587 6.831299 4.423146 21 H 6.492404 6.510021 6.688176 7.939251 5.426150 22 H 4.914199 5.055598 4.964355 6.432162 4.076511 23 H 6.346829 6.699093 6.178363 7.784613 5.350959 24 P 7.007568 7.688673 7.678667 7.235460 5.213514 25 O 8.400927 9.082153 8.988005 8.682437 6.591116 26 O 6.424189 7.302270 7.023516 6.400647 4.750546 27 O 7.158241 7.577676 8.098252 7.293628 5.442225 28 H 7.925573 8.262180 8.865328 8.150583 6.194476 29 H 2.127645 3.276649 2.435963 0.947484 3.033206 6 7 8 9 10 6 H 0.000000 7 C 2.091679 0.000000 8 H 3.030205 1.077719 0.000000 9 C 2.850350 1.515440 2.173334 0.000000 10 H 3.454933 2.145634 2.607358 1.080698 0.000000 11 O 3.993854 2.378882 2.541903 1.430641 2.036089 12 C 4.344755 3.244029 3.586417 2.345694 3.147561 13 H 5.230468 4.157225 4.491753 3.002292 3.555038 14 C 5.050220 3.890511 3.947718 3.491246 4.365410 15 C 2.836894 2.598071 3.505665 1.529747 2.150218 16 H 2.218017 2.784027 3.831705 2.191344 2.697331 17 C 3.426527 3.124216 3.855704 2.353932 3.272918 18 H 2.948746 2.947956 3.669682 2.733063 3.773576 19 H 4.204657 4.179291 4.938386 3.318857 4.119694 20 O 4.125670 3.791501 4.586195 2.417709 2.530452 21 H 5.648721 4.785566 4.947550 4.341472 5.244127 22 H 4.546438 3.454261 3.431966 3.498226 4.460058 23 H 5.851124 4.396340 4.220868 3.973402 4.682479 24 P 4.762893 4.752644 5.587762 3.519800 3.216068 25 O 6.191826 5.994767 6.734154 4.617127 4.244361 26 O 4.392372 4.347849 5.121890 3.382989 2.780474 27 O 4.702149 5.350222 6.338446 4.374587 4.359356 28 H 5.456751 6.051875 7.023897 4.980603 5.018908 29 H 3.501370 3.807146 3.852834 5.122710 5.244937 11 12 13 14 15 11 O 0.000000 12 C 1.409504 0.000000 13 H 2.027954 1.086700 0.000000 14 C 2.396313 1.521728 2.142662 0.000000 15 C 2.331505 2.369916 2.830326 3.715518 0.000000 16 H 3.279739 3.341183 3.865413 4.550102 1.079240 17 C 2.347020 1.532491 2.151029 2.571627 1.523890 18 H 2.848484 2.168549 3.023530 2.659223 2.153952 19 H 3.254854 2.193798 2.378394 3.108358 2.175443 20 O 2.899534 2.862257 2.777505 4.368077 1.405878 21 H 3.342827 2.163145 2.489919 1.089113 4.242141 22 H 2.667532 2.154280 3.045180 1.084689 3.876036 23 H 2.651487 2.156863 2.478416 1.086472 4.455523 24 P 4.298858 4.480868 4.341136 5.992280 2.663787 25 O 5.072949 5.126500 4.674315 6.622577 3.817845 26 O 4.455470 5.030655 5.104334 6.496236 3.033477 27 O 5.266033 5.163428 5.139221 6.571319 3.122502 28 H 5.687633 5.393910 5.217882 6.771730 3.635200 29 H 6.148314 7.020839 7.955162 7.453361 5.887566 16 17 18 19 20 16 H 0.000000 17 C 2.192785 0.000000 18 H 2.443920 1.084893 0.000000 19 H 2.681738 1.083595 1.768085 0.000000 20 O 2.054738 2.355446 3.289935 2.517294 0.000000 21 H 5.014075 2.858852 2.907755 3.035383 4.791487 22 H 4.536982 2.812759 2.492050 3.523623 4.814766 23 H 5.373044 3.502516 3.693956 4.039496 4.957642 24 P 2.752389 3.882262 4.694705 3.938167 1.636173 25 O 4.104849 4.765462 5.717515 4.613863 2.484658 26 O 2.922300 4.511945 5.148239 4.860410 2.535700 27 O 2.735791 4.115999 4.725726 3.920210 2.513491 28 H 3.399314 4.373687 5.054998 3.950307 2.836409 29 H 5.446685 6.605955 6.116488 7.543375 7.025500 21 22 23 24 25 21 H 0.000000 22 H 1.766690 0.000000 23 H 1.762327 1.758795 0.000000 24 P 6.423620 6.389455 6.544374 0.000000 25 O 6.954925 7.209082 7.052271 1.475539 0.000000 26 O 7.110462 6.718882 6.992006 1.469700 2.608838 27 O 6.824065 6.868752 7.317117 1.645680 2.506685 28 H 6.895612 7.174854 7.514479 2.120601 2.442061 29 H 8.281378 6.721628 7.930937 7.368958 8.778939 26 27 28 29 26 O 0.000000 27 O 2.514583 0.000000 28 H 3.277780 0.947074 0.000000 29 H 6.403425 7.605182 8.491568 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.713965 -0.660298 0.137257 2 8 0 -4.199822 -0.348494 1.498075 3 8 0 -4.268648 -0.030919 -1.087708 4 8 0 -3.865686 -2.293504 -0.074070 5 6 0 -1.895765 -0.491349 0.126529 6 1 0 -1.370689 -1.009981 0.914048 7 6 0 -1.238004 0.245607 -0.753589 8 1 0 -1.812242 0.741138 -1.519212 9 6 0 0.246913 0.530064 -0.856861 10 1 0 0.677463 -0.015411 -1.684503 11 8 0 0.403552 1.925156 -1.132390 12 6 0 0.822528 2.630865 0.013531 13 1 0 1.837163 2.979319 -0.159714 14 6 0 -0.089606 3.828053 0.238046 15 6 0 1.088519 0.308039 0.401126 16 1 0 0.804164 -0.576091 0.950867 17 6 0 0.827995 1.607142 1.153921 18 1 0 -0.140728 1.569549 1.640905 19 1 0 1.592830 1.806796 1.895098 20 8 0 2.458792 0.283599 0.087683 21 1 0 0.232963 4.402957 1.104996 22 1 0 -1.110874 3.499640 0.398375 23 1 0 -0.075914 4.483722 -0.628171 24 15 0 3.273251 -1.117345 -0.138308 25 8 0 4.667680 -0.730916 -0.427195 26 8 0 2.466046 -2.020859 -0.970235 27 8 0 3.254046 -1.708959 1.397233 28 1 0 3.996876 -1.327350 1.843917 29 1 0 -3.923468 -2.440991 -1.008220 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5790365 0.1940757 0.1621065 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.4698084433 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.81D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 0.999994 0.003055 0.000382 -0.001653 Ang= 0.40 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57167878 A.U. after 11 cycles NFock= 11 Conv=0.53D-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 15 -0.000214259 -0.000029789 -0.000160277 2 8 -0.000010968 0.000077518 0.000032205 3 8 0.000121518 0.000021244 -0.000035693 4 8 0.000003435 -0.000135252 -0.000012051 5 6 0.000080776 -0.000006139 0.000192413 6 1 0.000088549 -0.000067129 -0.000028406 7 6 -0.000130160 0.000100915 -0.000154739 8 1 -0.000020535 -0.000020337 0.000008728 9 6 0.000194419 -0.000136627 0.000072531 10 1 0.000011333 -0.000028500 0.000042906 11 8 -0.000042363 0.000188313 0.000000821 12 6 0.000051566 0.000033749 0.000028268 13 1 -0.000038933 -0.000028723 0.000026338 14 6 -0.000027434 0.000020552 -0.000035260 15 6 0.000227862 0.000033945 0.000013158 16 1 -0.000064333 -0.000002801 -0.000027241 17 6 -0.000109740 0.000041730 -0.000039843 18 1 0.000019535 -0.000033317 -0.000029480 19 1 -0.000023787 0.000006520 -0.000003723 20 8 -0.000268068 -0.000073439 0.000067441 21 1 0.000011533 0.000005313 0.000000404 22 1 0.000007279 -0.000000098 0.000004194 23 1 0.000007136 -0.000022482 0.000000092 24 15 0.000137502 -0.000086773 -0.000081265 25 8 0.000028591 0.000064619 -0.000051911 26 8 0.000026743 0.000049477 0.000033700 27 8 -0.000110885 -0.000053720 0.000038494 28 1 0.000016895 0.000037437 0.000037316 29 1 0.000026793 0.000043794 0.000060880 ------------------------------------------------------------------- Cartesian Forces: Max 0.000268068 RMS 0.000080610 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000153733 RMS 0.000040563 Search for a local minimum. Step number 24 out of a maximum of 161 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 19 20 21 22 23 24 DE= -1.02D-05 DEPred=-7.94D-06 R= 1.29D+00 TightC=F SS= 1.41D+00 RLast= 1.01D-01 DXNew= 1.2793D+00 3.0228D-01 Trust test= 1.29D+00 RLast= 1.01D-01 DXMaxT set to 7.61D-01 ITU= 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 0 1 0 Eigenvalues --- 0.00086 0.00230 0.00287 0.00320 0.00441 Eigenvalues --- 0.01036 0.01217 0.02412 0.03090 0.03213 Eigenvalues --- 0.03497 0.03888 0.04202 0.04390 0.04721 Eigenvalues --- 0.05107 0.05202 0.05494 0.05531 0.05556 Eigenvalues --- 0.05785 0.06581 0.06662 0.07734 0.07969 Eigenvalues --- 0.08288 0.08656 0.12057 0.13581 0.14614 Eigenvalues --- 0.15426 0.15850 0.15943 0.15999 0.16014 Eigenvalues --- 0.16076 0.16126 0.16159 0.16460 0.17229 Eigenvalues --- 0.18877 0.19335 0.20188 0.20824 0.21030 Eigenvalues --- 0.21929 0.22267 0.24073 0.24767 0.25565 Eigenvalues --- 0.26188 0.27141 0.28493 0.28787 0.29779 Eigenvalues --- 0.30189 0.32216 0.33500 0.33575 0.33621 Eigenvalues --- 0.33762 0.34153 0.34587 0.34640 0.34895 Eigenvalues --- 0.36206 0.37736 0.39095 0.42407 0.44719 Eigenvalues --- 0.45957 0.48335 0.54310 0.54943 0.59109 Eigenvalues --- 0.59766 0.62080 0.67559 0.70721 0.99016 Eigenvalues --- 1.01101 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 24 23 22 21 20 19 18 17 16 15 RFO step: Lambda=-5.07148356D-06. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. RFO-DIIS uses 7 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.87054 -2.00000 2.08135 -0.90207 -1.16439 RFO-DIIS coefs: 1.32540 -0.21083 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00275615 RMS(Int)= 0.00001242 Iteration 2 RMS(Cart)= 0.00000904 RMS(Int)= 0.00001203 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00001203 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79341 -0.00005 -0.00005 -0.00018 -0.00023 2.79318 R2 2.80567 -0.00011 0.00014 -0.00032 -0.00018 2.80549 R3 3.12522 -0.00010 0.00163 -0.00042 0.00121 3.12643 R4 3.45076 0.00013 -0.00067 0.00076 0.00008 3.45084 R5 1.79049 0.00000 -0.00000 -0.00002 -0.00002 1.79047 R6 2.03957 0.00001 0.00001 0.00002 0.00003 2.03959 R7 2.50013 -0.00007 0.00021 -0.00021 0.00000 2.50013 R8 2.03659 0.00003 -0.00019 0.00017 -0.00002 2.03658 R9 2.86377 0.00011 -0.00065 0.00055 -0.00010 2.86367 R10 2.04222 0.00000 0.00008 -0.00000 0.00008 2.04230 R11 2.70352 -0.00015 0.00053 -0.00076 -0.00022 2.70330 R12 2.89080 -0.00006 0.00015 -0.00041 -0.00025 2.89056 R13 2.66358 -0.00002 0.00004 -0.00015 -0.00012 2.66346 R14 2.05357 0.00000 0.00005 -0.00000 0.00005 2.05361 R15 2.87565 0.00000 -0.00019 0.00022 0.00004 2.87569 R16 2.89599 -0.00001 -0.00026 0.00017 -0.00010 2.89589 R17 2.05813 0.00001 -0.00006 0.00004 -0.00001 2.05811 R18 2.04976 -0.00001 0.00006 -0.00008 -0.00002 2.04974 R19 2.05313 0.00001 -0.00007 0.00007 0.00000 2.05314 R20 2.03947 0.00002 -0.00022 0.00022 0.00000 2.03947 R21 2.87973 -0.00008 0.00021 -0.00031 -0.00009 2.87964 R22 2.65672 -0.00004 0.00023 -0.00026 -0.00003 2.65670 R23 2.05015 0.00004 -0.00005 0.00016 0.00012 2.05027 R24 2.04770 -0.00002 0.00007 -0.00016 -0.00009 2.04761 R25 3.09192 -0.00001 0.00105 -0.00038 0.00068 3.09259 R26 2.78837 -0.00002 -0.00014 0.00001 -0.00013 2.78824 R27 2.77733 -0.00002 -0.00003 -0.00005 -0.00008 2.77725 R28 3.10988 -0.00012 0.00073 -0.00021 0.00052 3.11041 R29 1.78971 0.00003 -0.00015 0.00017 0.00003 1.78974 A1 2.14996 0.00002 0.00012 0.00018 0.00030 2.15026 A2 1.87108 0.00000 -0.00058 0.00041 -0.00017 1.87091 A3 1.88931 -0.00002 0.00081 -0.00078 0.00004 1.88935 A4 1.85348 0.00003 -0.00054 0.00085 0.00031 1.85379 A5 1.90490 -0.00002 0.00000 -0.00042 -0.00042 1.90448 A6 1.75378 -0.00001 0.00012 -0.00025 -0.00013 1.75365 A7 1.86012 0.00000 -0.00023 0.00006 -0.00017 1.85995 A8 2.02157 -0.00003 0.00110 -0.00050 0.00060 2.02216 A9 2.15373 0.00003 -0.00071 0.00035 -0.00036 2.15337 A10 2.10737 -0.00000 -0.00043 0.00017 -0.00027 2.10711 A11 2.05308 0.00002 -0.00022 0.00009 -0.00011 2.05297 A12 2.26146 -0.00004 -0.00089 -0.00002 -0.00089 2.26057 A13 1.96858 0.00001 0.00105 -0.00008 0.00099 1.96957 A14 1.92604 0.00002 0.00006 0.00028 0.00033 1.92637 A15 1.87911 0.00002 -0.00002 0.00053 0.00054 1.87965 A16 2.04406 -0.00004 -0.00015 0.00015 0.00000 2.04407 A17 1.87663 -0.00004 -0.00003 -0.00068 -0.00070 1.87593 A18 1.91489 -0.00001 0.00019 -0.00063 -0.00044 1.91445 A19 1.81283 0.00004 -0.00007 0.00031 0.00021 1.81304 A20 1.94358 -0.00001 -0.00003 -0.00001 -0.00013 1.94345 A21 1.88438 -0.00002 0.00040 -0.00055 -0.00014 1.88424 A22 1.91312 0.00004 -0.00030 0.00016 -0.00012 1.91300 A23 1.84584 -0.00001 0.00022 -0.00036 -0.00018 1.84565 A24 1.90807 0.00000 -0.00013 0.00024 0.00010 1.90817 A25 1.90657 0.00005 -0.00069 0.00092 0.00025 1.90682 A26 2.00192 -0.00006 0.00050 -0.00045 0.00007 2.00199 A27 1.93392 -0.00002 0.00013 -0.00015 -0.00002 1.93391 A28 1.92620 0.00000 0.00008 0.00001 0.00009 1.92629 A29 1.92794 0.00003 -0.00039 0.00041 0.00002 1.92796 A30 1.89760 0.00000 0.00011 -0.00015 -0.00004 1.89757 A31 1.88846 -0.00001 0.00012 -0.00014 -0.00002 1.88844 A32 1.88855 -0.00001 -0.00005 0.00001 -0.00004 1.88851 A33 1.97451 -0.00001 0.00003 -0.00062 -0.00057 1.97393 A34 1.76038 -0.00001 0.00015 -0.00046 -0.00032 1.76006 A35 1.93414 -0.00003 -0.00010 -0.00066 -0.00076 1.93338 A36 1.98417 0.00000 0.00006 0.00037 0.00043 1.98460 A37 1.93492 0.00002 0.00010 0.00054 0.00064 1.93556 A38 1.86668 0.00003 -0.00027 0.00079 0.00052 1.86720 A39 1.77469 -0.00002 -0.00036 0.00018 -0.00022 1.77446 A40 1.93263 -0.00000 0.00035 -0.00024 0.00010 1.93274 A41 1.96972 0.00001 0.00006 -0.00011 -0.00002 1.96970 A42 1.92288 0.00003 -0.00053 0.00096 0.00044 1.92332 A43 1.95443 -0.00001 0.00040 -0.00071 -0.00030 1.95414 A44 1.90668 -0.00001 0.00005 -0.00004 0.00000 1.90668 A45 2.13041 0.00001 0.00031 -0.00044 -0.00013 2.13028 A46 1.84754 0.00008 -0.00015 0.00056 0.00041 1.84795 A47 1.90833 0.00005 -0.00004 0.00025 0.00021 1.90854 A48 1.74480 0.00004 -0.00043 0.00044 0.00001 1.74481 A49 2.17635 -0.00002 0.00022 -0.00015 0.00007 2.17642 A50 1.86279 -0.00009 0.00009 -0.00064 -0.00055 1.86224 A51 1.87628 -0.00006 0.00015 -0.00034 -0.00019 1.87609 A52 1.86092 -0.00002 -0.00019 -0.00006 -0.00025 1.86067 D1 2.72173 0.00007 0.00175 0.00214 0.00389 2.72562 D2 0.39415 0.00003 0.00238 0.00104 0.00342 0.39757 D3 -1.58928 0.00004 0.00251 0.00132 0.00382 -1.58545 D4 0.87662 -0.00006 -0.00321 -0.00020 -0.00342 0.87321 D5 -2.23051 -0.00007 -0.00192 -0.00057 -0.00248 -2.23300 D6 -3.02545 -0.00008 -0.00236 -0.00097 -0.00333 -3.02879 D7 0.15060 -0.00008 -0.00106 -0.00135 -0.00240 0.14820 D8 -1.08155 -0.00005 -0.00290 -0.00029 -0.00318 -1.08474 D9 2.09450 -0.00006 -0.00160 -0.00066 -0.00225 2.09224 D10 -0.03661 0.00002 -0.00147 0.00150 0.00003 -0.03658 D11 3.09182 0.00001 -0.00111 0.00056 -0.00054 3.09127 D12 3.14107 0.00001 -0.00013 0.00112 0.00098 -3.14113 D13 -0.01369 0.00001 0.00024 0.00018 0.00042 -0.01327 D14 1.85812 0.00002 0.00097 0.00219 0.00317 1.86129 D15 -2.38170 -0.00001 0.00100 0.00183 0.00283 -2.37887 D16 -0.34897 0.00003 0.00080 0.00270 0.00349 -0.34548 D17 -1.29612 0.00001 0.00132 0.00129 0.00262 -1.29350 D18 0.74724 -0.00001 0.00135 0.00093 0.00227 0.74952 D19 2.77997 0.00003 0.00115 0.00180 0.00294 2.78291 D20 1.82054 -0.00002 0.00131 -0.00007 0.00124 1.82178 D21 -2.38738 -0.00000 0.00136 0.00018 0.00154 -2.38583 D22 -0.35839 -0.00001 0.00153 -0.00069 0.00084 -0.35755 D23 0.70065 -0.00001 -0.00010 -0.00055 -0.00064 0.70001 D24 -1.42493 -0.00001 -0.00028 -0.00041 -0.00068 -1.42560 D25 2.88617 -0.00002 0.00000 -0.00083 -0.00083 2.88534 D26 -1.51192 -0.00001 -0.00021 -0.00049 -0.00070 -1.51261 D27 2.64569 -0.00000 -0.00039 -0.00034 -0.00073 2.64496 D28 0.67361 -0.00002 -0.00011 -0.00077 -0.00088 0.67272 D29 2.76934 0.00002 -0.00022 0.00042 0.00019 2.76953 D30 0.64376 0.00003 -0.00040 0.00056 0.00016 0.64392 D31 -1.32833 0.00001 -0.00013 0.00014 0.00001 -1.32832 D32 1.95648 0.00003 -0.00246 0.00107 -0.00140 1.95508 D33 -2.24970 0.00005 -0.00255 0.00112 -0.00143 -2.25113 D34 -0.08269 -0.00001 -0.00197 0.00045 -0.00152 -0.08421 D35 -3.11558 -0.00001 0.00094 -0.00068 0.00025 -3.11534 D36 1.06471 -0.00000 0.00067 -0.00040 0.00025 1.06496 D37 -1.02300 -0.00001 0.00093 -0.00068 0.00023 -1.02277 D38 -1.05325 -0.00001 0.00118 -0.00111 0.00007 -1.05318 D39 3.12704 -0.00000 0.00090 -0.00083 0.00007 3.12711 D40 1.03934 -0.00001 0.00116 -0.00111 0.00005 1.03938 D41 1.09470 0.00001 0.00054 -0.00004 0.00052 1.09522 D42 -1.00819 0.00002 0.00026 0.00024 0.00052 -1.00767 D43 -3.09590 0.00001 0.00052 -0.00004 0.00050 -3.09540 D44 0.48766 0.00001 0.00157 -0.00003 0.00153 0.48919 D45 -1.55527 -0.00001 0.00223 -0.00113 0.00110 -1.55418 D46 2.58430 -0.00001 0.00186 -0.00082 0.00103 2.58533 D47 -1.53646 0.00002 0.00132 0.00035 0.00167 -1.53479 D48 2.70379 -0.00001 0.00198 -0.00075 0.00124 2.70503 D49 0.56018 -0.00000 0.00161 -0.00044 0.00117 0.56135 D50 2.59797 0.00002 0.00166 -0.00036 0.00130 2.59927 D51 0.55503 -0.00001 0.00232 -0.00146 0.00086 0.55590 D52 -1.58858 -0.00000 0.00195 -0.00115 0.00080 -1.58778 D53 -0.67802 -0.00001 -0.00072 -0.00023 -0.00094 -0.67895 D54 1.37198 -0.00000 -0.00074 -0.00001 -0.00075 1.37123 D55 -2.78539 0.00000 -0.00078 0.00013 -0.00064 -2.78603 D56 -2.79679 0.00001 -0.00089 0.00062 -0.00026 -2.79705 D57 -0.74680 0.00002 -0.00091 0.00084 -0.00007 -0.74687 D58 1.37902 0.00002 -0.00095 0.00098 0.00004 1.37906 D59 1.34485 -0.00003 -0.00087 -0.00088 -0.00173 1.34311 D60 -2.88835 -0.00003 -0.00089 -0.00065 -0.00154 -2.88989 D61 -0.76252 -0.00002 -0.00092 -0.00051 -0.00143 -0.76396 D62 -1.69213 -0.00005 -0.00541 -0.00096 -0.00638 -1.69851 D63 0.51552 -0.00007 -0.00536 -0.00186 -0.00722 0.50830 D64 2.68747 -0.00003 -0.00540 -0.00053 -0.00592 2.68154 D65 -3.12902 0.00012 0.00263 0.00148 0.00411 -3.12491 D66 0.76971 0.00004 0.00248 0.00103 0.00351 0.77323 D67 -1.19664 0.00006 0.00252 0.00112 0.00364 -1.19300 D68 -1.49736 -0.00003 -0.00090 -0.00006 -0.00096 -1.49832 D69 0.42303 0.00004 -0.00120 0.00052 -0.00067 0.42235 D70 2.79477 -0.00009 -0.00073 -0.00041 -0.00114 2.79364 Item Value Threshold Converged? Maximum Force 0.000154 0.000450 YES RMS Force 0.000041 0.000300 YES Maximum Displacement 0.010155 0.001800 NO RMS Displacement 0.002756 0.001200 NO Predicted change in Energy=-1.798398D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.599586 1.783408 -0.637095 2 8 0 2.589872 1.444251 -1.680673 3 8 0 0.586548 0.821588 -0.134405 4 8 0 0.757849 3.103412 -1.172100 5 6 0 2.490144 2.510209 0.781826 6 1 0 3.179705 3.306615 0.546994 7 6 0 2.350895 2.081383 2.025644 8 1 0 1.648680 1.283433 2.203486 9 6 0 3.056257 2.536538 3.287270 10 1 0 2.385456 3.116632 3.904938 11 8 0 3.419944 1.367907 4.027832 12 6 0 4.798570 1.097345 3.915088 13 1 0 5.253428 1.264151 4.887843 14 6 0 5.002309 -0.354154 3.505997 15 6 0 4.377541 3.287705 3.114986 16 1 0 4.363997 3.984742 2.291141 17 6 0 5.344237 2.126160 2.919017 18 1 0 5.277454 1.750488 1.903370 19 1 0 6.368467 2.411713 3.127563 20 8 0 4.745079 3.930695 4.309946 21 1 0 6.063026 -0.591878 3.438785 22 1 0 4.541432 -0.543070 2.542447 23 1 0 4.550570 -1.021240 4.234935 24 15 0 4.427876 5.513725 4.577586 25 8 0 4.980430 5.816226 5.911827 26 8 0 3.052867 5.813283 4.153908 27 8 0 5.444357 6.197830 3.478524 28 1 0 6.287712 6.276726 3.902203 29 1 0 -0.076289 3.092177 -0.722883 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478089 0.000000 3 O 1.484602 2.606139 0.000000 4 O 1.654437 2.523444 2.512544 0.000000 5 C 1.826108 2.685165 2.704551 2.677790 0.000000 6 H 2.493793 2.962904 3.655697 2.976905 1.079306 7 C 2.782703 3.768266 3.060362 3.715899 1.323014 8 H 2.884664 3.999799 2.609052 3.937065 2.057708 9 C 4.253203 5.107940 4.555037 5.048762 2.568740 10 H 4.798453 5.834183 4.981926 5.331566 3.183165 11 O 5.024728 5.769045 5.064663 6.094097 3.564539 12 C 5.605939 6.025880 5.849406 6.799353 4.140331 13 H 6.644180 7.090301 6.870123 7.766338 5.103702 14 C 5.771733 5.996303 5.842417 7.201027 4.683658 15 C 4.904901 5.439892 5.568833 5.613843 3.100065 16 H 4.589380 5.037551 5.491624 5.076917 2.821985 17 C 5.175502 5.404505 5.801801 6.223119 3.586213 18 H 4.470096 4.490239 5.198074 5.631674 3.099054 19 H 6.108162 6.191357 6.826384 7.102435 4.533605 20 O 6.243251 6.834825 6.834631 6.828999 4.421554 21 H 6.494388 6.512869 6.690096 7.941053 5.426588 22 H 4.916956 5.058931 4.966783 6.435075 4.078000 23 H 6.349097 6.702044 6.180664 7.786752 5.351677 24 P 7.007667 7.687957 7.679506 7.234473 5.213800 25 O 8.401316 9.081574 8.989412 8.681680 6.591523 26 O 6.426945 7.303775 7.027757 6.401317 4.753724 27 O 7.155956 7.573764 8.096637 7.291576 5.440413 28 H 7.922983 8.258047 8.863182 8.148488 6.192328 29 H 2.128096 3.277413 2.437465 0.947475 3.031405 6 7 8 9 10 6 H 0.000000 7 C 2.091536 0.000000 8 H 3.030061 1.077710 0.000000 9 C 2.849100 1.515388 2.173967 0.000000 10 H 3.455823 2.145853 2.607375 1.080739 0.000000 11 O 3.991558 2.379217 2.544161 1.430524 2.035512 12 C 4.341158 3.244910 3.589710 2.345439 3.146544 13 H 5.226371 4.157493 4.494480 3.001394 3.552893 14 C 5.047654 3.892722 3.952854 3.491570 4.365023 15 C 2.833681 2.597917 3.506370 1.529617 2.149812 16 H 2.214600 2.783135 3.831149 2.190834 2.696772 17 C 3.421281 3.124135 3.857372 2.353481 3.272225 18 H 2.943100 2.947743 3.670996 2.732539 3.773099 19 H 4.198618 4.179022 4.939973 3.318407 4.118931 20 O 4.123067 3.790793 4.586160 2.416953 2.528744 21 H 5.645728 4.787819 4.952697 4.341728 5.243555 22 H 4.544910 3.457353 3.437881 3.499213 4.460721 23 H 5.848975 4.398386 4.226023 3.973515 4.681730 24 P 4.761821 4.754707 5.590677 3.522769 3.220247 25 O 6.190492 5.997160 6.737846 4.620292 4.248446 26 O 4.394235 4.353085 5.127907 3.389415 2.789148 27 O 4.699111 5.350281 6.339100 4.375461 4.362623 28 H 5.453320 6.051521 7.024190 4.980909 5.021334 29 H 3.501438 3.803594 3.848468 5.118877 5.241900 11 12 13 14 15 11 O 0.000000 12 C 1.409441 0.000000 13 H 2.027818 1.086726 0.000000 14 C 2.396181 1.521747 2.142771 0.000000 15 C 2.331503 2.369622 2.829306 3.715692 0.000000 16 H 3.279505 3.341125 3.864655 4.550751 1.079242 17 C 2.346768 1.532439 2.151181 2.571656 1.523841 18 H 2.847815 2.168625 3.023934 2.659630 2.154273 19 H 3.254812 2.193703 2.378822 3.107992 2.175157 20 O 2.898871 2.861232 2.775400 4.367200 1.405863 21 H 3.342696 2.163143 2.489992 1.089105 4.242272 22 H 2.667572 2.154350 3.045302 1.084677 3.876790 23 H 2.651269 2.156898 2.478570 1.086473 4.455472 24 P 4.301856 4.481153 4.340124 5.992519 2.664000 25 O 5.076622 5.127170 4.673805 6.622845 3.818273 26 O 4.462287 5.034340 5.106440 6.500568 3.035237 27 O 5.265752 5.159707 5.134571 6.566936 3.120750 28 H 5.686508 5.389220 5.212210 6.765930 3.633553 29 H 6.145409 7.018146 7.951591 7.453373 5.882522 16 17 18 19 20 16 H 0.000000 17 C 2.193040 0.000000 18 H 2.444721 1.084955 0.000000 19 H 2.681776 1.083549 1.768100 0.000000 20 O 2.055169 2.355848 3.290643 2.518080 0.000000 21 H 5.014901 2.859116 2.908831 3.035080 4.790571 22 H 4.538251 2.812666 2.492099 3.522947 4.814572 23 H 5.373360 3.502524 3.694189 4.039330 4.956321 24 P 2.751309 3.881516 4.694163 3.935853 1.636531 25 O 4.104106 4.765066 5.717182 4.611884 2.485284 26 O 2.921049 4.513336 5.149758 4.859760 2.536151 27 O 2.734011 4.111151 4.720997 3.913034 2.513991 28 H 3.398440 4.368523 5.050028 3.942704 2.837222 29 H 5.440326 6.601418 6.112274 7.538159 7.019834 21 22 23 24 25 21 H 0.000000 22 H 1.766650 0.000000 23 H 1.762309 1.758762 0.000000 24 P 6.422536 6.390576 6.545092 0.000000 25 O 6.953541 7.210137 7.053204 1.475473 0.000000 26 O 7.113265 6.724273 6.997169 1.469656 2.608791 27 O 6.817951 6.865220 7.313411 1.645956 2.506355 28 H 6.887884 7.169940 7.509239 2.120684 2.441236 29 H 8.281481 6.723150 7.931455 7.365214 8.775547 26 27 28 29 26 O 0.000000 27 O 2.514607 0.000000 28 H 3.277554 0.947088 0.000000 29 H 6.401494 7.600950 8.487242 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.713766 -0.660482 0.137802 2 8 0 -4.198820 -0.350887 1.499279 3 8 0 -4.269177 -0.029808 -1.086049 4 8 0 -3.864379 -2.294204 -0.075344 5 6 0 -1.895645 -0.490282 0.125938 6 1 0 -1.369297 -1.006726 0.914065 7 6 0 -1.239264 0.246267 -0.755553 8 1 0 -1.814667 0.740368 -1.521213 9 6 0 0.245408 0.531697 -0.858885 10 1 0 0.676263 -0.011945 -1.687628 11 8 0 0.401934 1.927074 -1.132418 12 6 0 0.822682 2.630699 0.014057 13 1 0 1.837696 2.977917 -0.159606 14 6 0 -0.087717 3.828851 0.240597 15 6 0 1.087624 0.307471 0.398145 16 1 0 0.803121 -0.577741 0.946069 17 6 0 0.827284 1.605386 1.152952 18 1 0 -0.141543 1.567702 1.639861 19 1 0 1.592184 1.803417 1.894431 20 8 0 2.457465 0.283488 0.082848 21 1 0 0.236329 4.402399 1.107884 22 1 0 -1.109295 3.501690 0.401435 23 1 0 -0.073887 4.485446 -0.624918 24 15 0 3.273525 -1.117765 -0.137988 25 8 0 4.668376 -0.731703 -0.424983 26 8 0 2.468564 -2.024409 -0.968605 27 8 0 3.252184 -1.705309 1.399382 28 1 0 3.994546 -1.322475 1.845827 29 1 0 -3.919239 -2.440816 -1.009798 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5788243 0.1940935 0.1621084 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.4274669826 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.81D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 -0.000023 0.000005 -0.000020 Ang= -0.00 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1552.57168117 A.U. after 8 cycles NFock= 8 Conv=0.69D-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 15 -0.000337262 0.000388971 -0.000164157 2 8 0.000034990 0.000026105 -0.000058652 3 8 0.000043017 -0.000013926 -0.000059212 4 8 0.000187124 -0.000448890 0.000102894 5 6 0.000100115 -0.000077141 0.000168389 6 1 0.000009479 -0.000064632 -0.000075739 7 6 -0.000061185 0.000133857 -0.000173199 8 1 -0.000010014 -0.000011688 0.000072050 9 6 0.000022645 -0.000075185 0.000208167 10 1 -0.000046845 0.000006769 -0.000034849 11 8 -0.000077059 0.000110993 -0.000040218 12 6 0.000053166 -0.000043619 0.000020333 13 1 -0.000002133 -0.000030635 -0.000017913 14 6 -0.000004683 0.000026515 -0.000017890 15 6 0.000046950 -0.000010243 -0.000034718 16 1 0.000030427 0.000019363 0.000040560 17 6 0.000026156 0.000092446 0.000021817 18 1 -0.000004016 0.000006065 0.000022569 19 1 0.000031147 -0.000011105 -0.000002713 20 8 -0.000194807 0.000171679 0.000073860 21 1 0.000016551 0.000002778 0.000000261 22 1 -0.000003216 0.000009742 -0.000003955 23 1 0.000007645 -0.000017761 0.000003998 24 15 0.000320751 -0.000048735 -0.000352816 25 8 0.000006427 -0.000038654 0.000064019 26 8 -0.000017816 -0.000037610 0.000050914 27 8 -0.000171047 -0.000155742 0.000108286 28 1 0.000001958 0.000037316 0.000026030 29 1 -0.000008466 0.000052967 0.000051889 ------------------------------------------------------------------- Cartesian Forces: Max 0.000448890 RMS 0.000114760 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000456841 RMS 0.000063942 Search for a local minimum. Step number 25 out of a maximum of 161 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 19 20 21 22 23 24 25 DE= -2.39D-06 DEPred=-1.80D-06 R= 1.33D+00 TightC=F SS= 1.41D+00 RLast= 1.91D-02 DXNew= 1.2793D+00 5.7260D-02 Trust test= 1.33D+00 RLast= 1.91D-02 DXMaxT set to 7.61D-01 ITU= 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 0 1 0 Eigenvalues --- 0.00074 0.00232 0.00289 0.00321 0.00456 Eigenvalues --- 0.00694 0.01081 0.02399 0.03082 0.03207 Eigenvalues --- 0.03478 0.03808 0.04221 0.04417 0.04675 Eigenvalues --- 0.05194 0.05355 0.05492 0.05547 0.05554 Eigenvalues --- 0.05936 0.06564 0.06727 0.07731 0.08011 Eigenvalues --- 0.08260 0.08678 0.12022 0.13439 0.14598 Eigenvalues --- 0.15364 0.15841 0.15920 0.15997 0.16037 Eigenvalues --- 0.16050 0.16144 0.16193 0.16574 0.17221 Eigenvalues --- 0.18667 0.19521 0.20114 0.20847 0.21118 Eigenvalues --- 0.21834 0.22474 0.24105 0.24824 0.26007 Eigenvalues --- 0.26475 0.27435 0.28431 0.29248 0.29619 Eigenvalues --- 0.29976 0.32091 0.33501 0.33570 0.33632 Eigenvalues --- 0.33783 0.34291 0.34554 0.34588 0.35137 Eigenvalues --- 0.36211 0.37684 0.39076 0.42426 0.45632 Eigenvalues --- 0.45957 0.48316 0.54337 0.56020 0.59497 Eigenvalues --- 0.62034 0.67366 0.68320 0.73898 0.99056 Eigenvalues --- 1.01461 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 25 24 23 22 21 20 19 18 17 16 RFO step: Lambda=-5.19663923D-06. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. RFO-DIIS uses 8 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.52256 0.19745 -2.00000 1.97308 -0.83095 RFO-DIIS coefs: -0.44659 0.69284 -0.10839 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00495705 RMS(Int)= 0.00001002 Iteration 2 RMS(Cart)= 0.00001848 RMS(Int)= 0.00000688 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000688 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79318 0.00006 -0.00002 0.00002 0.00000 2.79319 R2 2.80549 -0.00004 0.00006 -0.00013 -0.00007 2.80542 R3 3.12643 -0.00046 0.00055 -0.00037 0.00017 3.12661 R4 3.45084 0.00014 0.00023 -0.00002 0.00021 3.45106 R5 1.79047 0.00003 -0.00001 0.00007 0.00005 1.79052 R6 2.03959 -0.00003 0.00010 -0.00014 -0.00004 2.03955 R7 2.50013 -0.00001 0.00006 -0.00001 0.00005 2.50018 R8 2.03658 0.00003 -0.00006 0.00009 0.00002 2.03660 R9 2.86367 0.00014 0.00000 0.00014 0.00014 2.86381 R10 2.04230 0.00001 0.00001 0.00013 0.00014 2.04244 R11 2.70330 -0.00007 -0.00014 -0.00028 -0.00041 2.70289 R12 2.89056 0.00006 -0.00006 0.00003 -0.00002 2.89053 R13 2.66346 0.00009 0.00019 0.00018 0.00037 2.66382 R14 2.05361 -0.00002 -0.00006 -0.00001 -0.00007 2.05355 R15 2.87569 -0.00001 0.00005 -0.00001 0.00004 2.87573 R16 2.89589 -0.00001 0.00008 0.00011 0.00018 2.89607 R17 2.05811 0.00002 0.00000 0.00003 0.00003 2.05814 R18 2.04974 0.00000 -0.00001 -0.00000 -0.00001 2.04973 R19 2.05314 0.00001 -0.00000 0.00003 0.00003 2.05317 R20 2.03947 -0.00002 -0.00001 -0.00008 -0.00009 2.03938 R21 2.87964 -0.00004 0.00006 -0.00013 -0.00006 2.87958 R22 2.65670 -0.00007 0.00008 -0.00022 -0.00014 2.65655 R23 2.05027 -0.00002 0.00000 -0.00006 -0.00005 2.05021 R24 2.04761 0.00003 0.00001 0.00002 0.00004 2.04765 R25 3.09259 -0.00028 0.00064 -0.00048 0.00015 3.09275 R26 2.78824 0.00005 -0.00009 0.00002 -0.00007 2.78817 R27 2.77725 -0.00001 0.00002 -0.00005 -0.00004 2.77721 R28 3.11041 -0.00024 0.00015 -0.00016 -0.00000 3.11041 R29 1.78974 0.00002 -0.00004 0.00006 0.00003 1.78976 A1 2.15026 -0.00002 0.00007 -0.00006 0.00001 2.15027 A2 1.87091 -0.00001 -0.00013 -0.00002 -0.00015 1.87076 A3 1.88935 -0.00000 0.00033 -0.00023 0.00009 1.88944 A4 1.85379 -0.00003 -0.00016 0.00024 0.00008 1.85387 A5 1.90448 0.00004 -0.00015 0.00002 -0.00013 1.90435 A6 1.75365 0.00004 0.00001 0.00011 0.00012 1.75377 A7 1.85995 0.00004 -0.00016 0.00027 0.00011 1.86006 A8 2.02216 -0.00011 0.00075 -0.00076 -0.00001 2.02215 A9 2.15337 0.00006 -0.00034 0.00032 -0.00002 2.15334 A10 2.10711 0.00005 -0.00042 0.00045 0.00003 2.10713 A11 2.05297 -0.00002 0.00012 -0.00029 -0.00016 2.05281 A12 2.26057 0.00019 -0.00120 0.00107 -0.00011 2.26046 A13 1.96957 -0.00016 0.00105 -0.00079 0.00027 1.96984 A14 1.92637 -0.00005 -0.00027 -0.00032 -0.00059 1.92578 A15 1.87965 -0.00005 0.00112 -0.00081 0.00033 1.87998 A16 2.04407 0.00009 -0.00084 0.00147 0.00062 2.04469 A17 1.87593 0.00003 -0.00025 0.00009 -0.00016 1.87577 A18 1.91445 0.00000 0.00033 -0.00038 -0.00006 1.91439 A19 1.81304 -0.00003 -0.00001 -0.00014 -0.00017 1.81287 A20 1.94345 0.00002 -0.00016 0.00007 -0.00013 1.94331 A21 1.88424 -0.00001 -0.00042 0.00011 -0.00031 1.88393 A22 1.91300 0.00004 0.00040 -0.00003 0.00038 1.91338 A23 1.84565 -0.00001 0.00018 0.00013 0.00028 1.84594 A24 1.90817 0.00000 -0.00009 0.00002 -0.00007 1.90810 A25 1.90682 0.00002 0.00024 -0.00006 0.00019 1.90701 A26 2.00199 -0.00004 -0.00032 -0.00016 -0.00046 2.00153 A27 1.93391 -0.00001 -0.00020 0.00000 -0.00020 1.93371 A28 1.92629 -0.00002 0.00017 -0.00018 -0.00001 1.92627 A29 1.92796 0.00003 0.00009 0.00013 0.00022 1.92818 A30 1.89757 0.00001 -0.00006 0.00003 -0.00003 1.89754 A31 1.88844 -0.00001 -0.00000 -0.00003 -0.00003 1.88842 A32 1.88851 0.00000 0.00000 0.00005 0.00005 1.88856 A33 1.97393 0.00002 -0.00016 0.00022 0.00007 1.97401 A34 1.76006 0.00004 -0.00015 0.00034 0.00018 1.76024 A35 1.93338 0.00000 -0.00023 -0.00052 -0.00075 1.93263 A36 1.98460 -0.00002 0.00023 0.00014 0.00037 1.98497 A37 1.93556 -0.00001 0.00006 -0.00003 0.00004 1.93560 A38 1.86720 -0.00003 0.00025 -0.00017 0.00008 1.86729 A39 1.77446 0.00000 0.00026 -0.00001 0.00023 1.77469 A40 1.93274 -0.00001 0.00001 -0.00017 -0.00015 1.93258 A41 1.96970 0.00000 -0.00004 -0.00000 -0.00003 1.96967 A42 1.92332 -0.00002 -0.00005 0.00013 0.00008 1.92341 A43 1.95414 0.00002 0.00006 0.00002 0.00009 1.95423 A44 1.90668 -0.00000 -0.00021 0.00003 -0.00019 1.90650 A45 2.13028 -0.00003 0.00055 -0.00059 -0.00004 2.13023 A46 1.84795 -0.00006 -0.00008 0.00004 -0.00004 1.84791 A47 1.90854 -0.00006 0.00006 -0.00022 -0.00015 1.90839 A48 1.74481 0.00003 0.00002 0.00012 0.00014 1.74495 A49 2.17642 -0.00002 -0.00013 -0.00003 -0.00016 2.17626 A50 1.86224 0.00008 -0.00007 0.00011 0.00004 1.86228 A51 1.87609 0.00005 0.00022 0.00002 0.00024 1.87633 A52 1.86067 -0.00001 -0.00015 -0.00009 -0.00024 1.86044 D1 2.72562 0.00001 0.00048 0.00275 0.00323 2.72885 D2 0.39757 0.00007 0.00059 0.00267 0.00326 0.40083 D3 -1.58545 0.00002 0.00081 0.00253 0.00334 -1.58212 D4 0.87321 -0.00004 -0.00345 -0.00095 -0.00440 0.86880 D5 -2.23300 -0.00007 -0.00300 -0.00113 -0.00413 -2.23712 D6 -3.02879 -0.00004 -0.00320 -0.00122 -0.00442 -3.03321 D7 0.14820 -0.00007 -0.00276 -0.00139 -0.00415 0.14405 D8 -1.08474 -0.00004 -0.00342 -0.00090 -0.00432 -1.08906 D9 2.09224 -0.00007 -0.00298 -0.00107 -0.00405 2.08820 D10 -0.03658 0.00002 -0.00025 0.00063 0.00038 -0.03621 D11 3.09127 0.00002 0.00027 -0.00027 0.00000 3.09128 D12 -3.14113 -0.00001 0.00020 0.00047 0.00066 -3.14047 D13 -0.01327 -0.00000 0.00072 -0.00043 0.00029 -0.01298 D14 1.86129 0.00002 -0.00452 0.01166 0.00715 1.86844 D15 -2.37887 0.00000 -0.00429 0.01113 0.00683 -2.37204 D16 -0.34548 -0.00001 -0.00401 0.01125 0.00724 -0.33824 D17 -1.29350 0.00003 -0.00402 0.01080 0.00679 -1.28672 D18 0.74952 0.00001 -0.00379 0.01026 0.00647 0.75598 D19 2.78291 -0.00000 -0.00351 0.01039 0.00688 2.78979 D20 1.82178 0.00007 -0.00260 0.00056 -0.00204 1.81974 D21 -2.38583 0.00000 -0.00244 -0.00020 -0.00264 -2.38848 D22 -0.35755 0.00001 -0.00218 -0.00067 -0.00285 -0.36040 D23 0.70001 0.00002 0.00011 0.00083 0.00094 0.70095 D24 -1.42560 0.00002 0.00001 0.00034 0.00036 -1.42525 D25 2.88534 0.00003 -0.00010 0.00055 0.00045 2.88580 D26 -1.51261 0.00002 0.00091 0.00039 0.00130 -1.51131 D27 2.64496 0.00001 0.00081 -0.00009 0.00071 2.64568 D28 0.67272 0.00003 0.00069 0.00012 0.00081 0.67353 D29 2.76953 -0.00001 0.00106 0.00053 0.00159 2.77112 D30 0.64392 -0.00001 0.00096 0.00005 0.00100 0.64492 D31 -1.32832 0.00000 0.00085 0.00026 0.00110 -1.32722 D32 1.95508 0.00004 0.00262 0.00118 0.00379 1.95887 D33 -2.25113 0.00006 0.00249 0.00125 0.00374 -2.24739 D34 -0.08421 0.00003 0.00245 0.00112 0.00358 -0.08064 D35 -3.11534 -0.00001 0.00016 -0.00065 -0.00050 -3.11583 D36 1.06496 -0.00001 0.00026 -0.00057 -0.00032 1.06464 D37 -1.02277 -0.00001 0.00008 -0.00059 -0.00052 -1.02329 D38 -1.05318 0.00000 -0.00017 -0.00052 -0.00069 -1.05387 D39 3.12711 0.00001 -0.00007 -0.00044 -0.00052 3.12660 D40 1.03938 0.00000 -0.00025 -0.00046 -0.00071 1.03867 D41 1.09522 -0.00000 -0.00015 -0.00069 -0.00083 1.09439 D42 -1.00767 0.00000 -0.00005 -0.00061 -0.00065 -1.00832 D43 -3.09540 -0.00000 -0.00022 -0.00063 -0.00085 -3.09625 D44 0.48919 -0.00003 -0.00169 -0.00110 -0.00280 0.48640 D45 -1.55418 -0.00001 -0.00178 -0.00117 -0.00295 -1.55712 D46 2.58533 -0.00000 -0.00148 -0.00108 -0.00256 2.58277 D47 -1.53479 -0.00003 -0.00141 -0.00127 -0.00267 -1.53746 D48 2.70503 -0.00000 -0.00150 -0.00133 -0.00282 2.70220 D49 0.56135 0.00000 -0.00119 -0.00125 -0.00244 0.55891 D50 2.59927 -0.00001 -0.00126 -0.00114 -0.00240 2.59687 D51 0.55590 0.00001 -0.00134 -0.00121 -0.00255 0.55335 D52 -1.58778 0.00002 -0.00104 -0.00112 -0.00216 -1.58994 D53 -0.67895 0.00002 0.00046 0.00062 0.00109 -0.67787 D54 1.37123 0.00001 0.00059 0.00047 0.00106 1.37229 D55 -2.78603 0.00001 0.00032 0.00062 0.00095 -2.78508 D56 -2.79705 -0.00001 0.00063 0.00007 0.00071 -2.79635 D57 -0.74687 -0.00003 0.00076 -0.00008 0.00068 -0.74619 D58 1.37906 -0.00002 0.00050 0.00007 0.00057 1.37963 D59 1.34311 0.00003 0.00023 0.00013 0.00036 1.34348 D60 -2.88989 0.00002 0.00035 -0.00002 0.00034 -2.88955 D61 -0.76396 0.00002 0.00009 0.00013 0.00022 -0.76374 D62 -1.69851 -0.00003 -0.00523 -0.00358 -0.00881 -1.70732 D63 0.50830 -0.00001 -0.00556 -0.00370 -0.00926 0.49904 D64 2.68154 -0.00006 -0.00507 -0.00365 -0.00872 2.67282 D65 -3.12491 -0.00001 0.00384 0.00201 0.00585 -3.11907 D66 0.77323 0.00011 0.00403 0.00218 0.00621 0.77943 D67 -1.19300 0.00006 0.00375 0.00218 0.00593 -1.18706 D68 -1.49832 -0.00003 -0.00192 -0.00040 -0.00232 -1.50064 D69 0.42235 -0.00006 -0.00201 -0.00028 -0.00229 0.42006 D70 2.79364 0.00001 -0.00207 -0.00022 -0.00229 2.79135 Item Value Threshold Converged? Maximum Force 0.000457 0.000450 NO RMS Force 0.000064 0.000300 YES Maximum Displacement 0.016304 0.001800 NO RMS Displacement 0.004961 0.001200 NO Predicted change in Energy=-1.923033D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.601278 1.778855 -0.636436 2 8 0 2.591408 1.437617 -1.679485 3 8 0 0.586898 0.818756 -0.133271 4 8 0 0.761439 3.099576 -1.172940 5 6 0 2.492311 2.505540 0.782391 6 1 0 3.186109 3.297987 0.546753 7 6 0 2.348602 2.080709 2.027100 8 1 0 1.642641 1.286168 2.205446 9 6 0 3.053581 2.536230 3.288898 10 1 0 2.381550 3.114977 3.906620 11 8 0 3.418864 1.368193 4.029193 12 6 0 4.797577 1.098097 3.913993 13 1 0 5.253193 1.261801 4.886879 14 6 0 5.001566 -0.351982 3.499938 15 6 0 4.373743 3.289596 3.117712 16 1 0 4.359144 3.988009 2.295114 17 6 0 5.342407 2.129952 2.920468 18 1 0 5.277248 1.756063 1.904089 19 1 0 6.366054 2.416636 3.130416 20 8 0 4.739305 3.931190 4.313940 21 1 0 6.062386 -0.588652 3.430431 22 1 0 4.539507 -0.538026 2.536404 23 1 0 4.551400 -1.021874 4.227299 24 15 0 4.429948 5.516281 4.579041 25 8 0 4.985170 5.818448 5.912207 26 8 0 3.055832 5.821361 4.156472 27 8 0 5.448532 6.193730 3.477806 28 1 0 6.292075 6.271212 3.901402 29 1 0 -0.071771 3.091550 -0.721878 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478091 0.000000 3 O 1.484564 2.606113 0.000000 4 O 1.654529 2.523387 2.512670 0.000000 5 C 1.826220 2.685352 2.704491 2.678080 0.000000 6 H 2.493870 2.961550 3.655806 2.979217 1.079285 7 C 2.782810 3.769787 3.059956 3.714489 1.323039 8 H 2.884570 4.001973 2.608191 3.934267 2.057642 9 C 4.253357 5.109343 4.554721 5.047699 2.568763 10 H 4.799312 5.836279 4.981378 5.331690 3.185041 11 O 5.023978 5.768753 5.064387 6.092764 3.562833 12 C 5.602335 6.022412 5.847067 6.795087 4.135466 13 H 6.641599 7.087535 6.868224 7.763677 5.100606 14 C 5.762987 5.986481 5.836106 7.192198 4.674062 15 C 4.905357 5.442394 5.569033 5.611999 3.099719 16 H 4.591315 5.042502 5.492819 5.075450 2.823316 17 C 5.174058 5.404340 5.801674 6.219439 3.582665 18 H 4.468505 4.489671 5.198919 5.627225 3.094479 19 H 6.107293 6.192058 6.826677 7.099084 4.530675 20 O 6.243875 6.837581 6.834282 6.827946 4.421911 21 H 6.484287 6.501131 6.682944 7.930579 5.415864 22 H 4.905919 5.046977 4.958945 6.423797 4.065817 23 H 6.340601 6.691843 6.174121 7.778993 5.343209 24 P 7.012198 7.693171 7.683857 7.237659 5.218578 25 O 8.405579 9.086010 8.993860 8.685130 6.595811 26 O 6.436578 7.313774 7.037299 6.408977 4.764100 27 O 7.156777 7.575052 8.097265 7.291918 5.441255 28 H 7.923182 8.258624 8.863233 8.148383 6.192473 29 H 2.128276 3.277961 2.438420 0.947502 3.029975 6 7 8 9 10 6 H 0.000000 7 C 2.091557 0.000000 8 H 3.030012 1.077722 0.000000 9 C 2.849070 1.515464 2.174230 0.000000 10 H 3.459699 2.145552 2.604712 1.080811 0.000000 11 O 3.988192 2.379394 2.547106 1.430307 2.035264 12 C 4.332973 3.243974 3.592788 2.345313 3.147228 13 H 5.220689 4.157595 4.497418 3.002667 3.555489 14 C 5.033832 3.889146 3.954949 3.490122 4.364594 15 C 2.832027 2.598468 3.507830 1.529605 2.149814 16 H 2.215606 2.784224 3.832412 2.190837 2.696297 17 C 3.412983 3.124643 3.861541 2.353620 3.272528 18 H 2.931340 2.949151 3.677225 2.733323 3.773837 19 H 4.190961 4.179722 4.944104 3.318418 4.119035 20 O 4.123719 3.790696 4.585981 2.416255 2.528067 21 H 5.629790 4.784038 4.954764 4.340257 5.243299 22 H 4.528288 3.452134 3.439338 3.496466 4.458554 23 H 5.837092 4.395363 4.227981 3.972928 4.682373 24 P 4.767318 4.758945 5.594363 3.526976 3.227127 25 O 6.194953 6.001353 6.741969 4.624472 4.255581 26 O 4.406184 4.361981 5.135328 3.397760 2.800285 27 O 4.700527 5.350799 6.339391 4.375932 4.366804 28 H 5.453509 6.051801 7.024541 4.981274 5.025341 29 H 3.502260 3.799590 3.842895 5.114932 5.238543 11 12 13 14 15 11 O 0.000000 12 C 1.409635 0.000000 13 H 2.027735 1.086689 0.000000 14 C 2.396676 1.521769 2.142713 0.000000 15 C 2.331176 2.369887 2.831137 3.715016 0.000000 16 H 3.279420 3.341345 3.866366 4.549707 1.079196 17 C 2.347246 1.532532 2.151376 2.571372 1.523807 18 H 2.849579 2.168575 3.023559 2.658305 2.154281 19 H 3.254683 2.193777 2.378501 3.108636 2.175207 20 O 2.897171 2.861777 2.778125 4.367715 1.405787 21 H 3.343048 2.163030 2.490023 1.089120 4.241476 22 H 2.667945 2.154356 3.045236 1.084670 3.875060 23 H 2.652226 2.157090 2.478453 1.086489 4.455504 24 P 4.304795 4.483056 4.344318 5.993973 2.663976 25 O 5.079747 5.129305 4.678265 6.625218 3.818133 26 O 4.469754 5.040010 5.113852 6.505927 3.037391 27 O 5.263970 5.155528 5.132988 6.560991 3.117504 28 H 5.684300 5.384682 5.210052 6.759680 3.631006 29 H 6.142245 7.012539 7.947414 7.444488 5.877438 16 17 18 19 20 16 H 0.000000 17 C 2.193228 0.000000 18 H 2.444872 1.084927 0.000000 19 H 2.682282 1.083568 1.767974 0.000000 20 O 2.055093 2.355833 3.290583 2.518117 0.000000 21 H 5.013562 2.858189 2.905830 3.035453 4.791670 22 H 4.536050 2.812519 2.491371 3.524082 4.813880 23 H 5.373009 3.502500 3.693385 4.039736 4.957383 24 P 2.748991 3.879519 4.691751 3.931262 1.636611 25 O 4.101924 4.762680 5.714306 4.606249 2.485287 26 O 2.919667 4.514712 5.151171 4.858242 2.536065 27 O 2.729602 4.103191 4.711561 3.902431 2.514202 28 H 3.395497 4.360520 5.040407 3.931622 2.838483 29 H 5.434969 6.595808 6.106655 7.532681 7.015049 21 22 23 24 25 21 H 0.000000 22 H 1.766638 0.000000 23 H 1.762316 1.758800 0.000000 24 P 6.422956 6.390540 6.548735 0.000000 25 O 6.954893 7.211063 7.058121 1.475435 0.000000 26 O 7.117217 6.728129 7.005113 1.469637 2.608632 27 O 6.810269 6.857777 7.309686 1.645956 2.506362 28 H 6.879848 7.162432 7.505015 2.120527 2.440560 29 H 8.271242 6.712235 7.923908 7.365090 8.776088 26 27 28 29 26 O 0.000000 27 O 2.514808 0.000000 28 H 3.277300 0.947102 0.000000 29 H 6.405628 7.598330 8.484310 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.714329 -0.661494 0.138088 2 8 0 -4.200519 -0.350795 1.498911 3 8 0 -4.270001 -0.033257 -1.086851 4 8 0 -3.862615 -2.295819 -0.072770 5 6 0 -1.896350 -0.488577 0.126711 6 1 0 -1.369881 -0.999678 0.918204 7 6 0 -1.240409 0.244159 -0.758315 8 1 0 -1.816166 0.733403 -1.526839 9 6 0 0.244007 0.531217 -0.861944 10 1 0 0.674441 -0.011005 -1.691928 11 8 0 0.399464 1.926821 -1.133793 12 6 0 0.817665 2.629687 0.014319 13 1 0 1.831159 2.981317 -0.159114 14 6 0 -0.097264 3.823770 0.244216 15 6 0 1.087860 0.306036 0.393802 16 1 0 0.805655 -0.580792 0.940209 17 6 0 0.826614 1.602153 1.151311 18 1 0 -0.141110 1.561900 1.640142 19 1 0 1.592548 1.800410 1.891688 20 8 0 2.457100 0.284860 0.076041 21 1 0 0.224829 4.396010 1.113112 22 1 0 -1.117546 3.492281 0.404371 23 1 0 -0.086112 4.482969 -0.619376 24 15 0 3.277783 -1.115009 -0.136893 25 8 0 4.672382 -0.726108 -0.421073 26 8 0 2.477978 -2.026737 -0.966892 27 8 0 3.253340 -1.696945 1.402562 28 1 0 3.994512 -1.311889 1.849100 29 1 0 -3.913904 -2.444219 -1.007172 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5796234 0.1939001 0.1620513 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.3516971068 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.81D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 0.000229 0.000065 -0.000498 Ang= 0.06 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1552.57168465 A.U. after 9 cycles NFock= 9 Conv=0.42D-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 15 -0.000358129 0.000430017 -0.000235342 2 8 0.000036921 0.000039006 -0.000017907 3 8 0.000024096 -0.000012970 -0.000022865 4 8 0.000219339 -0.000477593 0.000157787 5 6 0.000083789 -0.000141601 0.000150457 6 1 -0.000006786 -0.000029767 -0.000073568 7 6 0.000001174 0.000183813 -0.000185812 8 1 0.000010613 -0.000018633 0.000095532 9 6 -0.000016694 -0.000041748 0.000157600 10 1 -0.000010571 0.000015036 -0.000023645 11 8 0.000019013 0.000000825 -0.000042663 12 6 0.000009291 -0.000033603 0.000036701 13 1 -0.000010190 -0.000013179 -0.000001378 14 6 -0.000019957 0.000015621 -0.000011349 15 6 -0.000009522 0.000007300 0.000005359 16 1 0.000045713 0.000006143 -0.000001748 17 6 -0.000008420 0.000056598 -0.000035180 18 1 -0.000000662 0.000000810 0.000001821 19 1 -0.000002959 0.000000638 0.000007616 20 8 -0.000107181 0.000286608 0.000103146 21 1 0.000006979 -0.000000556 0.000001663 22 1 -0.000002590 0.000007902 -0.000000297 23 1 0.000004510 -0.000004905 0.000001207 24 15 0.000235696 -0.000194482 -0.000342856 25 8 0.000044495 -0.000003199 0.000103343 26 8 -0.000035235 -0.000013226 -0.000002689 27 8 -0.000155704 -0.000142920 0.000141964 28 1 -0.000002982 0.000030382 0.000009222 29 1 0.000005954 0.000047682 0.000023883 ------------------------------------------------------------------- Cartesian Forces: Max 0.000477593 RMS 0.000119708 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000516445 RMS 0.000065535 Search for a local minimum. Step number 26 out of a maximum of 161 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 19 20 21 22 23 24 25 26 DE= -3.47D-06 DEPred=-1.92D-06 R= 1.81D+00 TightC=F SS= 1.41D+00 RLast= 3.05D-02 DXNew= 1.2793D+00 9.1582D-02 Trust test= 1.81D+00 RLast= 3.05D-02 DXMaxT set to 7.61D-01 ITU= 1 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 0 1 0 Eigenvalues --- 0.00079 0.00230 0.00269 0.00324 0.00339 Eigenvalues --- 0.00618 0.01090 0.02404 0.03083 0.03208 Eigenvalues --- 0.03478 0.03746 0.04256 0.04397 0.04655 Eigenvalues --- 0.05197 0.05342 0.05493 0.05546 0.05565 Eigenvalues --- 0.05983 0.06552 0.06768 0.07728 0.08063 Eigenvalues --- 0.08296 0.08690 0.12061 0.13505 0.14589 Eigenvalues --- 0.15286 0.15786 0.15843 0.16003 0.16042 Eigenvalues --- 0.16116 0.16141 0.16241 0.16509 0.17266 Eigenvalues --- 0.18418 0.19523 0.20086 0.20866 0.21219 Eigenvalues --- 0.22094 0.22281 0.24154 0.24940 0.25999 Eigenvalues --- 0.26406 0.27827 0.28401 0.29224 0.29798 Eigenvalues --- 0.30127 0.32303 0.33502 0.33566 0.33632 Eigenvalues --- 0.33791 0.34341 0.34525 0.34604 0.35392 Eigenvalues --- 0.36223 0.37690 0.39084 0.42529 0.45272 Eigenvalues --- 0.46012 0.48333 0.54482 0.56249 0.59563 Eigenvalues --- 0.62063 0.67229 0.69148 0.71388 0.99307 Eigenvalues --- 1.02081 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 26 25 24 23 22 21 20 19 18 17 RFO step: Lambda=-3.90147264D-06. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. RFO-DIIS uses 7 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.83959 -0.52612 -0.28121 -0.23715 0.18128 RFO-DIIS coefs: 0.01471 0.00890 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00692652 RMS(Int)= 0.00001504 Iteration 2 RMS(Cart)= 0.00002616 RMS(Int)= 0.00000068 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000068 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79319 0.00003 -0.00005 0.00006 0.00001 2.79320 R2 2.80542 -0.00002 -0.00018 0.00008 -0.00009 2.80532 R3 3.12661 -0.00052 -0.00004 -0.00060 -0.00064 3.12597 R4 3.45106 0.00010 0.00048 -0.00003 0.00045 3.45151 R5 1.79052 0.00001 0.00004 -0.00003 0.00002 1.79054 R6 2.03955 -0.00001 -0.00002 -0.00001 -0.00003 2.03952 R7 2.50018 -0.00003 -0.00003 0.00000 -0.00003 2.50015 R8 2.03660 0.00002 0.00008 -0.00001 0.00008 2.03668 R9 2.86381 0.00008 0.00023 -0.00004 0.00019 2.86400 R10 2.04244 0.00000 0.00013 -0.00001 0.00012 2.04256 R11 2.70289 -0.00001 -0.00063 0.00030 -0.00033 2.70256 R12 2.89053 0.00001 -0.00022 -0.00000 -0.00022 2.89031 R13 2.66382 -0.00002 0.00033 -0.00017 0.00015 2.66398 R14 2.05355 -0.00001 -0.00006 0.00001 -0.00005 2.05349 R15 2.87573 -0.00002 0.00008 -0.00005 0.00003 2.87576 R16 2.89607 0.00002 0.00025 0.00013 0.00038 2.89645 R17 2.05814 0.00001 0.00004 -0.00001 0.00003 2.05817 R18 2.04973 0.00000 -0.00004 0.00001 -0.00003 2.04970 R19 2.05317 0.00000 0.00005 -0.00002 0.00002 2.05319 R20 2.03938 0.00000 -0.00004 0.00000 -0.00004 2.03935 R21 2.87958 -0.00003 -0.00018 0.00006 -0.00012 2.87946 R22 2.65655 -0.00001 -0.00014 0.00008 -0.00006 2.65649 R23 2.05021 -0.00000 -0.00002 -0.00000 -0.00002 2.05019 R24 2.04765 -0.00000 0.00000 -0.00003 -0.00003 2.04762 R25 3.09275 -0.00034 0.00008 -0.00048 -0.00040 3.09235 R26 2.78817 0.00011 -0.00007 0.00011 0.00004 2.78821 R27 2.77721 0.00003 -0.00004 0.00005 0.00001 2.77722 R28 3.11041 -0.00025 -0.00007 -0.00023 -0.00030 3.11011 R29 1.78976 0.00000 0.00005 -0.00004 0.00001 1.78978 A1 2.15027 0.00001 0.00013 0.00008 0.00020 2.15047 A2 1.87076 0.00000 -0.00015 -0.00001 -0.00015 1.87061 A3 1.88944 -0.00004 -0.00007 -0.00015 -0.00022 1.88922 A4 1.85387 -0.00001 0.00025 -0.00002 0.00024 1.85411 A5 1.90435 0.00002 -0.00018 0.00005 -0.00013 1.90422 A6 1.75377 0.00002 0.00001 0.00005 0.00005 1.75382 A7 1.86006 0.00005 0.00020 0.00028 0.00048 1.86053 A8 2.02215 -0.00011 -0.00023 -0.00040 -0.00062 2.02153 A9 2.15334 0.00007 0.00016 0.00021 0.00037 2.15371 A10 2.10713 0.00004 0.00006 0.00021 0.00027 2.10740 A11 2.05281 -0.00001 -0.00013 0.00008 -0.00005 2.05276 A12 2.26046 0.00022 0.00002 0.00083 0.00086 2.26131 A13 1.96984 -0.00021 0.00010 -0.00091 -0.00081 1.96903 A14 1.92578 -0.00003 -0.00066 -0.00005 -0.00070 1.92508 A15 1.87998 -0.00006 0.00047 -0.00039 0.00008 1.88006 A16 2.04469 0.00008 0.00082 0.00026 0.00108 2.04577 A17 1.87577 0.00003 -0.00042 0.00032 -0.00010 1.87567 A18 1.91439 -0.00002 -0.00011 -0.00011 -0.00023 1.91417 A19 1.81287 -0.00000 -0.00015 -0.00002 -0.00017 1.81270 A20 1.94331 0.00001 -0.00020 0.00007 -0.00014 1.94317 A21 1.88393 -0.00000 -0.00050 -0.00004 -0.00054 1.88339 A22 1.91338 0.00001 0.00045 -0.00019 0.00026 1.91364 A23 1.84594 -0.00001 0.00025 -0.00003 0.00022 1.84615 A24 1.90810 0.00000 -0.00001 0.00011 0.00010 1.90819 A25 1.90701 0.00001 0.00050 -0.00001 0.00049 1.90750 A26 2.00153 -0.00001 -0.00068 0.00015 -0.00053 2.00100 A27 1.93371 -0.00000 -0.00026 0.00009 -0.00017 1.93354 A28 1.92627 -0.00001 -0.00001 -0.00004 -0.00005 1.92622 A29 1.92818 0.00001 0.00033 -0.00011 0.00022 1.92840 A30 1.89754 0.00001 -0.00006 0.00005 -0.00001 1.89753 A31 1.88842 -0.00000 -0.00006 0.00001 -0.00005 1.88837 A32 1.88856 0.00000 0.00006 0.00000 0.00006 1.88862 A33 1.97401 0.00003 -0.00001 0.00033 0.00032 1.97433 A34 1.76024 -0.00000 0.00006 -0.00000 0.00006 1.76030 A35 1.93263 -0.00001 -0.00091 -0.00011 -0.00102 1.93161 A36 1.98497 -0.00003 0.00042 -0.00035 0.00007 1.98504 A37 1.93560 -0.00001 0.00015 -0.00008 0.00007 1.93567 A38 1.86729 0.00002 0.00027 0.00021 0.00048 1.86777 A39 1.77469 0.00001 0.00032 0.00008 0.00040 1.77509 A40 1.93258 -0.00000 -0.00017 0.00011 -0.00006 1.93252 A41 1.96967 -0.00001 -0.00009 -0.00008 -0.00016 1.96950 A42 1.92341 -0.00001 0.00026 -0.00007 0.00020 1.92360 A43 1.95423 0.00000 -0.00006 -0.00011 -0.00017 1.95406 A44 1.90650 0.00000 -0.00022 0.00006 -0.00016 1.90633 A45 2.13023 -0.00009 -0.00016 -0.00035 -0.00051 2.12972 A46 1.84791 -0.00002 0.00015 -0.00004 0.00011 1.84802 A47 1.90839 -0.00003 -0.00004 -0.00010 -0.00014 1.90824 A48 1.74495 0.00001 0.00022 -0.00011 0.00011 1.74506 A49 2.17626 0.00001 -0.00016 0.00014 -0.00001 2.17625 A50 1.86228 0.00003 -0.00016 0.00007 -0.00009 1.86219 A51 1.87633 0.00001 0.00007 -0.00001 0.00006 1.87639 A52 1.86044 0.00001 -0.00025 0.00012 -0.00012 1.86031 D1 2.72885 0.00004 0.00380 0.00041 0.00421 2.73306 D2 0.40083 0.00003 0.00357 0.00033 0.00389 0.40473 D3 -1.58212 0.00001 0.00368 0.00025 0.00393 -1.57818 D4 0.86880 -0.00002 -0.00388 -0.00008 -0.00396 0.86485 D5 -2.23712 -0.00006 -0.00370 -0.00078 -0.00449 -2.24161 D6 -3.03321 -0.00002 -0.00392 -0.00006 -0.00398 -3.03719 D7 0.14405 -0.00006 -0.00374 -0.00076 -0.00451 0.13954 D8 -1.08906 -0.00002 -0.00370 -0.00004 -0.00374 -1.09280 D9 2.08820 -0.00006 -0.00352 -0.00075 -0.00427 2.08393 D10 -0.03621 0.00003 0.00067 0.00052 0.00118 -0.03503 D11 3.09128 0.00003 -0.00002 0.00056 0.00054 3.09182 D12 -3.14047 -0.00001 0.00086 -0.00021 0.00064 -3.13982 D13 -0.01298 -0.00001 0.00017 -0.00017 0.00000 -0.01298 D14 1.86844 0.00001 0.01113 -0.00007 0.01106 1.87950 D15 -2.37204 -0.00000 0.01054 0.00006 0.01061 -2.36144 D16 -0.33824 -0.00000 0.01120 -0.00009 0.01111 -0.32713 D17 -1.28672 0.00001 0.01048 -0.00003 0.01045 -1.27627 D18 0.75598 0.00000 0.00988 0.00011 0.00999 0.76598 D19 2.78979 -0.00000 0.01054 -0.00004 0.01050 2.80029 D20 1.81974 0.00005 -0.00273 0.00016 -0.00257 1.81717 D21 -2.38848 0.00001 -0.00348 0.00007 -0.00341 -2.39188 D22 -0.36040 -0.00001 -0.00386 0.00007 -0.00379 -0.36419 D23 0.70095 0.00001 0.00111 -0.00003 0.00108 0.70204 D24 -1.42525 0.00003 0.00058 0.00023 0.00081 -1.42444 D25 2.88580 0.00002 0.00058 0.00003 0.00061 2.88641 D26 -1.51131 0.00000 0.00145 -0.00008 0.00137 -1.50994 D27 2.64568 0.00002 0.00092 0.00018 0.00110 2.64677 D28 0.67353 0.00001 0.00092 -0.00002 0.00090 0.67444 D29 2.77112 -0.00002 0.00206 -0.00039 0.00167 2.77279 D30 0.64492 -0.00000 0.00153 -0.00013 0.00140 0.64632 D31 -1.32722 -0.00002 0.00153 -0.00033 0.00120 -1.32602 D32 1.95887 0.00002 0.00509 -0.00006 0.00503 1.96390 D33 -2.24739 0.00003 0.00503 -0.00006 0.00497 -2.24242 D34 -0.08064 0.00002 0.00462 -0.00001 0.00462 -0.07602 D35 -3.11583 -0.00001 -0.00064 0.00023 -0.00041 -3.11625 D36 1.06464 -0.00000 -0.00038 0.00013 -0.00025 1.06438 D37 -1.02329 -0.00001 -0.00067 0.00023 -0.00044 -1.02373 D38 -1.05387 -0.00000 -0.00099 0.00013 -0.00086 -1.05473 D39 3.12660 -0.00000 -0.00074 0.00004 -0.00070 3.12590 D40 1.03867 -0.00000 -0.00102 0.00014 -0.00089 1.03779 D41 1.09439 0.00000 -0.00083 0.00031 -0.00052 1.09387 D42 -1.00832 0.00001 -0.00058 0.00022 -0.00036 -1.00868 D43 -3.09625 0.00000 -0.00086 0.00031 -0.00055 -3.09680 D44 0.48640 -0.00001 -0.00345 -0.00005 -0.00350 0.48290 D45 -1.55712 -0.00001 -0.00386 -0.00006 -0.00392 -1.56104 D46 2.58277 -0.00001 -0.00338 -0.00017 -0.00354 2.57923 D47 -1.53746 -0.00001 -0.00324 0.00002 -0.00322 -1.54069 D48 2.70220 0.00000 -0.00365 0.00001 -0.00364 2.69857 D49 0.55891 0.00000 -0.00317 -0.00010 -0.00326 0.55564 D50 2.59687 -0.00001 -0.00313 -0.00022 -0.00335 2.59352 D51 0.55335 -0.00001 -0.00353 -0.00023 -0.00376 0.54959 D52 -1.58994 -0.00001 -0.00305 -0.00034 -0.00339 -1.59333 D53 -0.67787 0.00001 0.00119 0.00007 0.00126 -0.67660 D54 1.37229 0.00001 0.00127 0.00022 0.00149 1.37378 D55 -2.78508 0.00001 0.00113 0.00017 0.00130 -2.78377 D56 -2.79635 -0.00001 0.00096 -0.00015 0.00081 -2.79554 D57 -0.74619 -0.00001 0.00104 -0.00001 0.00104 -0.74515 D58 1.37963 -0.00001 0.00090 -0.00005 0.00085 1.38048 D59 1.34348 0.00000 0.00031 0.00003 0.00033 1.34381 D60 -2.88955 0.00000 0.00039 0.00017 0.00056 -2.88899 D61 -0.76374 0.00000 0.00025 0.00013 0.00037 -0.76336 D62 -1.70732 -0.00001 -0.00907 0.00028 -0.00879 -1.71611 D63 0.49904 0.00001 -0.00966 0.00057 -0.00909 0.48995 D64 2.67282 -0.00002 -0.00887 0.00023 -0.00864 2.66419 D65 -3.11907 -0.00000 0.00497 -0.00019 0.00478 -3.11428 D66 0.77943 0.00003 0.00509 -0.00026 0.00483 0.78426 D67 -1.18706 0.00003 0.00493 -0.00017 0.00475 -1.18231 D68 -1.50064 -0.00002 -0.00194 -0.00029 -0.00223 -1.50287 D69 0.42006 -0.00004 -0.00174 -0.00036 -0.00210 0.41796 D70 2.79135 0.00001 -0.00201 -0.00013 -0.00214 2.78921 Item Value Threshold Converged? Maximum Force 0.000516 0.000450 NO RMS Force 0.000066 0.000300 YES Maximum Displacement 0.027879 0.001800 NO RMS Displacement 0.006931 0.001200 NO Predicted change in Energy=-1.944940D-06 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.601777 1.771282 -0.634621 2 8 0 2.590977 1.422865 -1.676188 3 8 0 0.583010 0.817182 -0.129064 4 8 0 0.768499 3.094072 -1.175191 5 6 0 2.495684 2.497897 0.782738 6 1 0 3.195758 3.283889 0.544129 7 6 0 2.346261 2.080697 2.029336 8 1 0 1.634445 1.291920 2.210226 9 6 0 3.051363 2.536770 3.290984 10 1 0 2.378192 3.114033 3.908964 11 8 0 3.418521 1.369190 4.030736 12 6 0 4.797022 1.099160 3.911917 13 1 0 5.253845 1.258473 4.884935 14 6 0 5.000207 -0.349089 3.491053 15 6 0 4.370164 3.292540 3.120973 16 1 0 4.354549 3.992655 2.299867 17 6 0 5.340724 2.134937 2.921547 18 1 0 5.277293 1.763582 1.904141 19 1 0 6.363683 2.422797 3.133163 20 8 0 4.733519 3.932296 4.318818 21 1 0 6.060948 -0.585234 3.418356 22 1 0 4.536287 -0.530810 2.527605 23 1 0 4.551659 -1.022390 4.216280 24 15 0 4.431360 5.518976 4.581397 25 8 0 4.987534 5.820782 5.914270 26 8 0 3.058717 5.829470 4.157960 27 8 0 5.453221 6.190203 3.479622 28 1 0 6.296435 6.266302 3.904139 29 1 0 -0.063653 3.093554 -0.722091 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478098 0.000000 3 O 1.484514 2.606219 0.000000 4 O 1.654190 2.522967 2.512572 0.000000 5 C 1.826458 2.685348 2.704535 2.678074 0.000000 6 H 2.493634 2.959557 3.655720 2.980550 1.079269 7 C 2.783283 3.771411 3.060100 3.712850 1.323023 8 H 2.885136 4.004537 2.608288 3.931751 2.057629 9 C 4.254134 5.111315 4.554830 5.046660 2.569356 10 H 4.801038 5.839457 4.980349 5.332930 3.188529 11 O 5.022728 5.766862 5.064462 6.090937 3.560211 12 C 5.597531 6.016505 5.845249 6.788766 4.128484 13 H 6.638229 7.082812 6.866704 7.759696 5.096238 14 C 5.750347 5.970309 5.828984 7.178896 4.659713 15 C 4.907411 5.447379 5.570697 5.609671 3.100399 16 H 4.596028 5.052031 5.496166 5.073779 2.826899 17 C 5.172843 5.404380 5.803322 6.213570 3.577778 18 H 4.467079 4.489002 5.202489 5.619761 3.087735 19 H 6.107079 6.193790 6.829078 7.093561 4.526759 20 O 6.246146 6.843086 6.834786 6.827015 4.423716 21 H 6.470240 6.482865 6.675235 7.915049 5.400304 22 H 4.889853 5.027222 4.950088 6.406771 4.047430 23 H 6.327531 6.674183 6.165728 7.766951 5.329977 24 P 7.018447 7.702111 7.687985 7.241203 5.225282 25 O 8.411290 9.093967 8.997652 8.688825 6.601781 26 O 6.446736 7.326270 7.044908 6.416385 4.775825 27 O 7.161528 7.583029 8.100057 7.293828 5.445487 28 H 7.927507 8.266157 8.865825 8.149890 6.195944 29 H 2.128312 3.278500 2.439616 0.947510 3.028123 6 7 8 9 10 6 H 0.000000 7 C 2.091688 0.000000 8 H 3.030102 1.077763 0.000000 9 C 2.850307 1.515562 2.173786 0.000000 10 H 3.466898 2.145182 2.599802 1.080875 0.000000 11 O 3.983984 2.379409 2.550128 1.430133 2.035090 12 C 4.321931 3.242493 3.596498 2.345124 3.148089 13 H 5.213505 4.157469 4.500583 3.004272 3.558792 14 C 5.013873 3.883801 3.957496 3.488008 4.363809 15 C 2.831859 2.599311 3.509430 1.529486 2.149592 16 H 2.219856 2.786035 3.834184 2.190938 2.695766 17 C 3.401924 3.125027 3.866931 2.353535 3.272647 18 H 2.914405 2.950794 3.685986 2.734212 3.774629 19 H 4.180947 4.180328 4.949382 3.318035 4.118715 20 O 4.127156 3.790665 4.584975 2.415281 2.526875 21 H 5.607193 4.778647 4.957541 4.338286 5.242896 22 H 4.503680 3.444483 3.441477 3.492534 4.455380 23 H 5.819553 4.390405 4.229706 3.971735 4.682777 24 P 4.777223 4.762606 5.595819 3.530314 3.232865 25 O 6.203605 6.004772 6.743423 4.627648 4.261034 26 O 4.422504 4.369431 5.139220 3.404934 2.810464 27 O 4.707432 5.352062 6.339368 4.376309 4.370693 28 H 5.458814 6.052937 7.024811 4.981552 5.028861 29 H 3.501900 3.795249 3.837696 5.110588 5.235427 11 12 13 14 15 11 O 0.000000 12 C 1.409717 0.000000 13 H 2.027395 1.086661 0.000000 14 C 2.396971 1.521787 2.142778 0.000000 15 C 2.330787 2.370383 2.833705 3.714212 0.000000 16 H 3.279425 3.341677 3.868729 4.548246 1.079176 17 C 2.347665 1.532735 2.151890 2.571122 1.523746 18 H 2.851840 2.168705 3.023379 2.656773 2.154361 19 H 3.254183 2.193832 2.378255 3.109744 2.175021 20 O 2.895120 2.862911 2.782186 4.368818 1.405755 21 H 3.343232 2.162936 2.490286 1.089138 4.240792 22 H 2.668109 2.154322 3.045231 1.084654 3.872685 23 H 2.652938 2.157270 2.478407 1.086501 4.455475 24 P 4.306948 4.485164 4.349771 5.995551 2.663382 25 O 5.081947 5.132196 4.684562 6.628685 3.817810 26 O 4.476577 5.045600 5.122606 6.510663 3.038297 27 O 5.261739 5.151330 5.131921 6.554974 3.114176 28 H 5.681560 5.380303 5.208388 6.753832 3.628654 29 H 6.139083 7.005555 7.942421 7.432701 5.870900 16 17 18 19 20 16 H 0.000000 17 C 2.193204 0.000000 18 H 2.444754 1.084916 0.000000 19 H 2.682434 1.083554 1.767852 0.000000 20 O 2.055097 2.356176 3.290847 2.518293 0.000000 21 H 5.011974 2.857423 2.902396 3.036649 4.793847 22 H 4.532839 2.812208 2.490389 3.525602 4.813176 23 H 5.372352 3.502523 3.692448 4.040531 4.959083 24 P 2.746077 3.877341 4.688954 3.926523 1.636400 25 O 4.099590 4.760945 5.711915 4.601592 2.485232 26 O 2.916433 4.515069 5.151041 4.855762 2.535765 27 O 2.725458 4.095032 4.701921 3.891313 2.514033 28 H 3.393240 4.352821 5.031215 3.920644 2.839410 29 H 5.427810 6.588045 6.098494 7.524862 7.009073 21 22 23 24 25 21 H 0.000000 22 H 1.766632 0.000000 23 H 1.762311 1.758837 0.000000 24 P 6.424142 6.389757 6.552653 0.000000 25 O 6.958365 7.212202 7.064147 1.475455 0.000000 26 O 7.121013 6.730114 7.012864 1.469644 2.608647 27 O 6.802913 6.849754 7.305955 1.645799 2.506162 28 H 6.872771 7.154977 7.501114 2.120302 2.439741 29 H 8.257574 6.697462 7.913887 7.363070 8.774598 26 27 28 29 26 O 0.000000 27 O 2.514741 0.000000 28 H 3.276899 0.947109 0.000000 29 H 6.406975 7.594704 8.480510 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.715613 -0.662581 0.137621 2 8 0 -4.205163 -0.345743 1.495829 3 8 0 -4.269888 -0.042091 -1.091831 4 8 0 -3.859714 -2.298043 -0.064476 5 6 0 -1.897781 -0.485483 0.129243 6 1 0 -1.372739 -0.988224 0.926992 7 6 0 -1.240831 0.239985 -0.760983 8 1 0 -1.815578 0.721396 -1.535246 9 6 0 0.243228 0.529412 -0.864567 10 1 0 0.673641 -0.011453 -1.695531 11 8 0 0.396621 1.925287 -1.135275 12 6 0 0.810728 2.628223 0.014376 13 1 0 1.822050 2.986039 -0.158912 14 6 0 -0.111079 3.816461 0.247178 15 6 0 1.088982 0.304354 0.389776 16 1 0 0.810003 -0.584084 0.935183 17 6 0 0.825463 1.598554 1.149648 18 1 0 -0.140904 1.554761 1.640831 19 1 0 1.592531 1.797987 1.888514 20 8 0 2.457547 0.287013 0.069035 21 1 0 0.207770 4.388231 1.117599 22 1 0 -1.129399 3.478657 0.406514 23 1 0 -0.103747 4.478059 -0.614633 24 15 0 3.283163 -1.110925 -0.135732 25 8 0 4.677032 -0.718878 -0.419276 26 8 0 2.487769 -2.029093 -0.962878 27 8 0 3.258006 -1.685678 1.406241 28 1 0 3.998303 -1.297549 1.851584 29 1 0 -3.905105 -2.452464 -0.998215 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5809081 0.1936282 0.1619743 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.3154453197 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.80D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 0.000597 0.000088 -0.000679 Ang= 0.10 deg. ExpMin= 9.98D-02 ExpMax= 1.94D+04 ExpMxC= 2.91D+03 IAcc=2 IRadAn= 4 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess. HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Integral accuracy reduced to 1.0D-05 until final iterations. Initial convergence to 1.0D-05 achieved. Increase integral accuracy. SCF Done: E(RHF) = -1552.57168688 A.U. after 10 cycles NFock= 10 Conv=0.49D-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 15 -0.000207043 0.000320801 -0.000150931 2 8 0.000016395 0.000027001 -0.000005194 3 8 0.000003404 -0.000027682 -0.000008088 4 8 0.000155180 -0.000326016 0.000122929 5 6 0.000039708 -0.000139008 0.000086543 6 1 0.000013777 0.000018274 -0.000023440 7 6 -0.000014468 0.000147445 -0.000075219 8 1 0.000013461 -0.000021270 0.000043623 9 6 -0.000057614 0.000005954 0.000050725 10 1 0.000009200 0.000001343 -0.000017844 11 8 0.000004976 -0.000038905 -0.000034644 12 6 -0.000034841 -0.000007773 0.000000462 13 1 0.000021465 0.000005067 -0.000009101 14 6 0.000002855 -0.000002282 0.000003947 15 6 -0.000076121 -0.000029105 -0.000010650 16 1 0.000019274 -0.000005659 -0.000032233 17 6 0.000036775 0.000019286 0.000010062 18 1 -0.000005579 0.000006540 0.000007612 19 1 0.000005758 0.000001751 0.000006741 20 8 0.000014476 0.000218996 0.000069861 21 1 0.000000510 -0.000007489 -0.000000271 22 1 -0.000002960 0.000006189 0.000003547 23 1 -0.000001278 0.000008179 0.000001032 24 15 0.000133047 -0.000167167 -0.000224925 25 8 0.000029092 0.000004354 0.000103904 26 8 -0.000050103 -0.000000389 -0.000012469 27 8 -0.000068388 -0.000074548 0.000085387 28 1 -0.000007965 0.000023190 -0.000001505 29 1 0.000007005 0.000032923 0.000010139 ------------------------------------------------------------------- Cartesian Forces: Max 0.000326016 RMS 0.000081640 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000359562 RMS 0.000040908 Search for a local minimum. Step number 27 out of a maximum of 161 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 19 20 21 22 23 24 25 26 27 DE= -2.23D-06 DEPred=-1.94D-06 R= 1.15D+00 TightC=F SS= 1.41D+00 RLast= 3.74D-02 DXNew= 1.2793D+00 1.1213D-01 Trust test= 1.15D+00 RLast= 3.74D-02 DXMaxT set to 7.61D-01 ITU= 1 1 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 0 1 0 Eigenvalues --- 0.00090 0.00230 0.00259 0.00315 0.00336 Eigenvalues --- 0.00613 0.01111 0.02410 0.03078 0.03214 Eigenvalues --- 0.03469 0.03730 0.04198 0.04337 0.04650 Eigenvalues --- 0.05186 0.05357 0.05496 0.05550 0.05566 Eigenvalues --- 0.06005 0.06555 0.06787 0.07727 0.08080 Eigenvalues --- 0.08345 0.08703 0.12069 0.13482 0.14456 Eigenvalues --- 0.15254 0.15635 0.15862 0.16000 0.16030 Eigenvalues --- 0.16103 0.16130 0.16210 0.16436 0.17263 Eigenvalues --- 0.18274 0.19581 0.20031 0.20844 0.21231 Eigenvalues --- 0.21709 0.22383 0.23971 0.25164 0.26046 Eigenvalues --- 0.26411 0.28002 0.28426 0.29147 0.29831 Eigenvalues --- 0.30441 0.32656 0.33501 0.33566 0.33632 Eigenvalues --- 0.33795 0.34361 0.34522 0.34631 0.35501 Eigenvalues --- 0.36237 0.37782 0.39109 0.42580 0.43960 Eigenvalues --- 0.45987 0.48365 0.54524 0.55992 0.57003 Eigenvalues --- 0.59602 0.62220 0.67716 0.69850 0.99310 Eigenvalues --- 1.01589 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 27 26 25 24 23 22 21 20 19 18 RFO step: Lambda=-9.84836168D-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: 1.04082 0.14155 -0.05643 -0.31246 0.07475 RFO-DIIS coefs: 0.11177 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00277397 RMS(Int)= 0.00000485 Iteration 2 RMS(Cart)= 0.00000648 RMS(Int)= 0.00000018 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000018 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79320 0.00001 -0.00002 0.00003 0.00001 2.79320 R2 2.80532 0.00001 -0.00003 0.00004 0.00001 2.80533 R3 3.12597 -0.00036 -0.00019 -0.00056 -0.00075 3.12521 R4 3.45151 0.00003 0.00018 -0.00000 0.00017 3.45168 R5 1.79054 -0.00000 0.00001 -0.00001 -0.00000 1.79053 R6 2.03952 0.00003 0.00005 0.00000 0.00005 2.03958 R7 2.50015 -0.00006 -0.00004 -0.00005 -0.00008 2.50007 R8 2.03668 0.00001 0.00002 0.00002 0.00004 2.03672 R9 2.86400 -0.00002 0.00019 -0.00005 0.00014 2.86414 R10 2.04256 -0.00002 0.00001 -0.00002 -0.00001 2.04255 R11 2.70256 0.00001 -0.00024 0.00005 -0.00019 2.70237 R12 2.89031 0.00000 -0.00001 0.00003 0.00003 2.89033 R13 2.66398 0.00000 0.00006 -0.00001 0.00005 2.66403 R14 2.05349 0.00000 -0.00002 0.00001 -0.00001 2.05348 R15 2.87576 -0.00001 0.00003 -0.00002 0.00001 2.87577 R16 2.89645 0.00001 0.00006 -0.00001 0.00005 2.89650 R17 2.05817 0.00000 0.00001 -0.00000 0.00001 2.05819 R18 2.04970 -0.00000 -0.00001 0.00000 -0.00001 2.04969 R19 2.05319 -0.00000 0.00001 -0.00001 0.00000 2.05319 R20 2.03935 0.00002 0.00003 -0.00002 0.00001 2.03936 R21 2.87946 -0.00000 -0.00005 -0.00001 -0.00006 2.87940 R22 2.65649 0.00003 -0.00004 0.00007 0.00003 2.65652 R23 2.05019 -0.00001 0.00003 -0.00003 -0.00000 2.05019 R24 2.04762 0.00001 -0.00001 0.00002 0.00001 2.04763 R25 3.09235 -0.00022 -0.00008 -0.00034 -0.00042 3.09192 R26 2.78821 0.00011 0.00001 0.00009 0.00010 2.78831 R27 2.77722 0.00005 0.00001 0.00005 0.00005 2.77728 R28 3.11011 -0.00012 -0.00012 -0.00019 -0.00031 3.10980 R29 1.78978 -0.00001 0.00002 -0.00002 0.00000 1.78978 A1 2.15047 0.00000 -0.00002 0.00001 -0.00001 2.15046 A2 1.87061 0.00000 0.00004 -0.00006 -0.00001 1.87060 A3 1.88922 -0.00002 0.00001 -0.00010 -0.00009 1.88913 A4 1.85411 0.00000 0.00007 0.00005 0.00012 1.85423 A5 1.90422 0.00002 -0.00008 0.00008 -0.00000 1.90422 A6 1.75382 -0.00001 -0.00002 0.00002 0.00000 1.75383 A7 1.86053 0.00004 0.00006 0.00027 0.00033 1.86086 A8 2.02153 -0.00005 0.00007 -0.00031 -0.00024 2.02129 A9 2.15371 0.00007 0.00006 0.00019 0.00025 2.15397 A10 2.10740 -0.00002 -0.00012 0.00013 0.00001 2.10742 A11 2.05276 0.00003 0.00015 0.00003 0.00019 2.05295 A12 2.26131 0.00003 -0.00044 0.00054 0.00010 2.26141 A13 1.96903 -0.00006 0.00028 -0.00057 -0.00028 1.96874 A14 1.92508 -0.00000 0.00007 -0.00001 0.00006 1.92514 A15 1.88006 -0.00000 0.00040 -0.00036 0.00004 1.88010 A16 2.04577 -0.00001 -0.00040 0.00021 -0.00018 2.04559 A17 1.87567 0.00001 -0.00004 0.00011 0.00007 1.87574 A18 1.91417 0.00001 -0.00004 0.00008 0.00004 1.91421 A19 1.81270 -0.00000 0.00004 -0.00006 -0.00001 1.81268 A20 1.94317 0.00000 -0.00004 0.00006 0.00002 1.94319 A21 1.88339 0.00001 -0.00012 0.00013 0.00001 1.88340 A22 1.91364 -0.00002 0.00012 -0.00008 0.00004 1.91368 A23 1.84615 0.00000 0.00001 0.00005 0.00005 1.84620 A24 1.90819 -0.00000 -0.00001 -0.00002 -0.00003 1.90817 A25 1.90750 -0.00001 0.00017 -0.00014 0.00002 1.90752 A26 2.00100 0.00001 -0.00016 0.00007 -0.00009 2.00091 A27 1.93354 0.00001 -0.00007 0.00010 0.00003 1.93357 A28 1.92622 -0.00001 0.00001 -0.00005 -0.00004 1.92618 A29 1.92840 -0.00001 0.00011 -0.00009 0.00002 1.92841 A30 1.89753 0.00000 -0.00003 0.00003 0.00000 1.89753 A31 1.88837 -0.00000 -0.00003 0.00002 -0.00001 1.88836 A32 1.88862 0.00001 0.00001 -0.00000 0.00000 1.88862 A33 1.97433 0.00000 -0.00022 0.00020 -0.00002 1.97431 A34 1.76030 0.00001 -0.00007 0.00014 0.00007 1.76037 A35 1.93161 0.00001 -0.00013 0.00011 -0.00002 1.93159 A36 1.98504 -0.00001 0.00012 -0.00027 -0.00015 1.98489 A37 1.93567 0.00000 0.00020 -0.00009 0.00010 1.93577 A38 1.86777 -0.00001 0.00009 -0.00008 0.00001 1.86777 A39 1.77509 -0.00000 0.00009 -0.00003 0.00006 1.77515 A40 1.93252 -0.00000 -0.00008 0.00006 -0.00002 1.93250 A41 1.96950 0.00000 0.00000 0.00000 0.00001 1.96951 A42 1.92360 -0.00001 0.00011 -0.00014 -0.00004 1.92357 A43 1.95406 0.00001 -0.00003 0.00003 0.00000 1.95406 A44 1.90633 0.00000 -0.00007 0.00007 -0.00001 1.90633 A45 2.12972 -0.00006 0.00001 -0.00013 -0.00012 2.12960 A46 1.84802 -0.00002 0.00007 -0.00004 0.00003 1.84805 A47 1.90824 -0.00003 -0.00004 -0.00004 -0.00008 1.90816 A48 1.74506 0.00003 0.00010 0.00013 0.00022 1.74528 A49 2.17625 -0.00000 -0.00005 -0.00006 -0.00011 2.17614 A50 1.86219 0.00002 -0.00006 0.00006 -0.00000 1.86219 A51 1.87639 0.00001 0.00003 -0.00001 0.00002 1.87641 A52 1.86031 0.00001 -0.00002 0.00011 0.00008 1.86039 D1 2.73306 0.00003 0.00083 0.00085 0.00167 2.73473 D2 0.40473 0.00002 0.00077 0.00084 0.00161 0.40634 D3 -1.57818 0.00000 0.00085 0.00073 0.00157 -1.57661 D4 0.86485 -0.00001 -0.00108 -0.00010 -0.00118 0.86366 D5 -2.24161 -0.00004 -0.00142 -0.00076 -0.00218 -2.24379 D6 -3.03719 -0.00001 -0.00117 -0.00011 -0.00128 -3.03846 D7 0.13954 -0.00004 -0.00151 -0.00076 -0.00227 0.13727 D8 -1.09280 -0.00001 -0.00112 -0.00002 -0.00114 -1.09394 D9 2.08393 -0.00004 -0.00146 -0.00067 -0.00213 2.08179 D10 -0.03503 0.00002 0.00038 0.00047 0.00085 -0.03417 D11 3.09182 0.00001 0.00030 0.00053 0.00083 3.09265 D12 -3.13982 -0.00001 0.00003 -0.00021 -0.00018 -3.14000 D13 -0.01298 -0.00002 -0.00006 -0.00015 -0.00020 -0.01318 D14 1.87950 -0.00000 -0.00371 0.00006 -0.00365 1.87586 D15 -2.36144 0.00001 -0.00349 -0.00002 -0.00351 -2.36495 D16 -0.32713 -0.00001 -0.00339 -0.00022 -0.00361 -0.33074 D17 -1.27627 -0.00001 -0.00379 0.00013 -0.00366 -1.27993 D18 0.76598 -0.00000 -0.00357 0.00004 -0.00353 0.76245 D19 2.80029 -0.00001 -0.00347 -0.00016 -0.00363 2.79666 D20 1.81717 -0.00000 -0.00088 0.00022 -0.00066 1.81651 D21 -2.39188 0.00000 -0.00061 0.00008 -0.00053 -2.39241 D22 -0.36419 0.00001 -0.00065 0.00019 -0.00046 -0.36465 D23 0.70204 -0.00001 -0.00006 0.00004 -0.00001 0.70202 D24 -1.42444 0.00000 -0.00005 0.00017 0.00013 -1.42431 D25 2.88641 0.00000 -0.00006 0.00015 0.00009 2.88651 D26 -1.50994 -0.00001 0.00021 -0.00020 0.00001 -1.50993 D27 2.64677 0.00000 0.00022 -0.00007 0.00015 2.64693 D28 0.67444 0.00001 0.00021 -0.00009 0.00012 0.67456 D29 2.77279 -0.00002 0.00026 -0.00033 -0.00007 2.77272 D30 0.64632 -0.00001 0.00027 -0.00020 0.00007 0.64639 D31 -1.32602 -0.00001 0.00025 -0.00022 0.00003 -1.32598 D32 1.96390 -0.00001 0.00090 -0.00015 0.00074 1.96464 D33 -2.24242 -0.00002 0.00088 -0.00014 0.00074 -2.24168 D34 -0.07602 -0.00000 0.00076 -0.00007 0.00069 -0.07533 D35 -3.11625 0.00000 -0.00014 0.00001 -0.00013 -3.11638 D36 1.06438 -0.00000 -0.00007 -0.00006 -0.00013 1.06426 D37 -1.02373 0.00000 -0.00015 0.00004 -0.00011 -1.02384 D38 -1.05473 0.00000 -0.00023 0.00011 -0.00011 -1.05485 D39 3.12590 0.00000 -0.00015 0.00005 -0.00011 3.12579 D40 1.03779 0.00001 -0.00024 0.00014 -0.00010 1.03769 D41 1.09387 -0.00000 -0.00013 -0.00004 -0.00017 1.09370 D42 -1.00868 -0.00001 -0.00005 -0.00011 -0.00016 -1.00885 D43 -3.09680 -0.00000 -0.00014 -0.00001 -0.00015 -3.09695 D44 0.48290 -0.00001 -0.00054 -0.00007 -0.00062 0.48228 D45 -1.56104 0.00001 -0.00067 0.00008 -0.00059 -1.56163 D46 2.57923 0.00000 -0.00052 -0.00005 -0.00057 2.57865 D47 -1.54069 -0.00001 -0.00048 -0.00018 -0.00066 -1.54135 D48 2.69857 -0.00000 -0.00061 -0.00003 -0.00064 2.69792 D49 0.55564 -0.00000 -0.00046 -0.00016 -0.00062 0.55502 D50 2.59352 -0.00001 -0.00049 -0.00010 -0.00058 2.59294 D51 0.54959 -0.00000 -0.00062 0.00006 -0.00056 0.54903 D52 -1.59333 -0.00000 -0.00047 -0.00007 -0.00054 -1.59387 D53 -0.67660 0.00001 0.00020 0.00014 0.00034 -0.67626 D54 1.37378 -0.00000 0.00019 0.00013 0.00033 1.37411 D55 -2.78377 0.00000 0.00016 0.00014 0.00030 -2.78348 D56 -2.79554 0.00001 0.00044 -0.00006 0.00039 -2.79515 D57 -0.74515 -0.00000 0.00044 -0.00007 0.00038 -0.74477 D58 1.38048 -0.00000 0.00041 -0.00006 0.00035 1.38082 D59 1.34381 0.00002 0.00006 0.00029 0.00035 1.34416 D60 -2.88899 0.00001 0.00005 0.00028 0.00034 -2.88865 D61 -0.76336 0.00001 0.00002 0.00029 0.00031 -0.76305 D62 -1.71611 0.00001 -0.00190 0.00057 -0.00133 -1.71744 D63 0.48995 0.00002 -0.00214 0.00085 -0.00129 0.48866 D64 2.66419 0.00000 -0.00181 0.00040 -0.00141 2.66278 D65 -3.11428 -0.00003 0.00069 -0.00029 0.00040 -3.11388 D66 0.78426 0.00001 0.00074 -0.00016 0.00059 0.78484 D67 -1.18231 -0.00000 0.00068 -0.00019 0.00049 -1.18182 D68 -1.50287 -0.00002 -0.00061 -0.00012 -0.00072 -1.50360 D69 0.41796 -0.00002 -0.00052 -0.00009 -0.00061 0.41735 D70 2.78921 -0.00000 -0.00061 -0.00012 -0.00074 2.78847 Item Value Threshold Converged? Maximum Force 0.000360 0.000450 YES RMS Force 0.000041 0.000300 YES Maximum Displacement 0.015209 0.001800 NO RMS Displacement 0.002774 0.001200 NO Predicted change in Energy=-4.759700D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.602484 1.772769 -0.636021 2 8 0 2.591904 1.430913 -1.679555 3 8 0 0.588093 0.813335 -0.131743 4 8 0 0.763713 3.093406 -1.172126 5 6 0 2.495278 2.499222 0.782241 6 1 0 3.192822 3.287752 0.544467 7 6 0 2.347366 2.080054 2.028311 8 1 0 1.638001 1.288899 2.208567 9 6 0 3.051313 2.536605 3.290520 10 1 0 2.377630 3.114151 3.907667 11 8 0 3.417855 1.369406 4.030983 12 6 0 4.796353 1.098928 3.912847 13 1 0 5.252716 1.257897 4.886133 14 6 0 4.999334 -0.349306 3.491818 15 6 0 4.370282 3.292264 3.121204 16 1 0 4.355329 3.991987 2.299745 17 6 0 5.341001 2.134645 2.922894 18 1 0 5.278539 1.763183 1.905469 19 1 0 6.363764 2.422524 3.135449 20 8 0 4.732742 3.932462 4.319102 21 1 0 6.060042 -0.585753 3.419516 22 1 0 4.535764 -0.530694 2.528146 23 1 0 4.550294 -1.022627 4.216724 24 15 0 4.432034 5.519477 4.579919 25 8 0 4.987187 5.821944 5.913128 26 8 0 3.060021 5.830877 4.155011 27 8 0 5.455400 6.188901 3.478689 28 1 0 6.298159 6.265202 3.904074 29 1 0 -0.067420 3.089578 -0.717180 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478100 0.000000 3 O 1.484519 2.606220 0.000000 4 O 1.653792 2.522628 2.512362 0.000000 5 C 1.826550 2.685342 2.704614 2.677858 0.000000 6 H 2.493573 2.958924 3.655764 2.980778 1.079297 7 C 2.783513 3.772195 3.060303 3.711824 1.322978 8 H 2.885667 4.005945 2.608739 3.930612 2.057720 9 C 4.254442 5.112266 4.555107 5.045627 2.569443 10 H 4.800548 5.839200 4.981268 5.330052 3.187517 11 O 5.023863 5.770288 5.064094 6.090073 3.561173 12 C 5.598846 6.020364 5.843777 6.789484 4.129948 13 H 6.639539 7.086474 6.865524 7.760331 5.097674 14 C 5.751596 5.975618 5.825889 7.179494 4.661139 15 C 4.907781 5.447435 5.570611 5.610666 3.100855 16 H 4.595847 5.050109 5.496183 5.075534 2.826827 17 C 5.174297 5.406970 5.802310 6.216107 3.579588 18 H 4.469077 4.492306 5.201223 5.623588 3.090297 19 H 6.108679 6.196329 6.828060 7.096891 4.528648 20 O 6.246282 6.842867 6.834990 6.827210 4.423777 21 H 6.471463 6.488101 6.671665 7.916470 5.401836 22 H 4.891015 5.033016 4.946264 6.407377 4.048723 23 H 6.328740 6.679914 6.162707 7.766571 5.331246 24 P 7.017850 7.699575 7.689175 7.240748 5.224492 25 O 8.410909 9.092160 8.998814 8.688123 6.601219 26 O 6.445669 7.322635 7.047156 6.414450 4.774352 27 O 7.160868 7.579284 8.100778 7.295485 5.444895 28 H 7.927407 8.263389 8.866539 8.152189 6.195994 29 H 2.128180 3.278618 2.440024 0.947508 3.027244 6 7 8 9 10 6 H 0.000000 7 C 2.091679 0.000000 8 H 3.030200 1.077784 0.000000 9 C 2.850448 1.515635 2.173670 0.000000 10 H 3.464937 2.145286 2.601065 1.080870 0.000000 11 O 3.985785 2.379424 2.548639 1.430032 2.035046 12 C 4.325303 3.242163 3.593863 2.345074 3.148234 13 H 5.216659 4.157420 4.498498 3.004538 3.559382 14 C 5.017824 3.882857 3.953355 3.487663 4.363691 15 C 2.833021 2.599241 3.508809 1.529499 2.149631 16 H 2.219993 2.785871 3.833910 2.190943 2.695794 17 C 3.406060 3.124917 3.864940 2.353591 3.272733 18 H 2.920077 2.950808 3.683793 2.734426 3.774810 19 H 4.185293 4.180250 4.947429 3.318040 4.118730 20 O 4.127332 3.790667 4.584780 2.415285 2.526948 21 H 5.611675 4.777650 4.953299 4.337996 5.242876 22 H 4.507661 3.443099 3.436580 3.491867 4.454832 23 H 5.823020 4.389609 4.225789 3.971515 4.682833 24 P 4.775052 4.763000 5.597117 3.530788 3.233897 25 O 6.201967 6.005180 6.744576 4.628081 4.261901 26 O 4.418275 4.370286 5.142018 3.405825 2.812016 27 O 4.705910 5.352204 6.340013 4.376563 4.371588 28 H 5.458506 6.053322 7.025340 4.982057 5.029879 29 H 3.501457 3.793158 3.835479 5.108222 5.231451 11 12 13 14 15 11 O 0.000000 12 C 1.409742 0.000000 13 H 2.027420 1.086657 0.000000 14 C 2.397029 1.521791 2.142759 0.000000 15 C 2.330707 2.370435 2.834133 3.714040 0.000000 16 H 3.279325 3.341616 3.869103 4.547814 1.079181 17 C 2.347752 1.532762 2.151926 2.571074 1.523714 18 H 2.852194 2.168711 3.023299 2.656514 2.154305 19 H 3.254138 2.193862 2.378167 3.109937 2.174999 20 O 2.895030 2.863216 2.783019 4.369097 1.405770 21 H 3.343305 2.162969 2.490339 1.089145 4.240671 22 H 2.668074 2.154292 3.045190 1.084649 3.872224 23 H 2.653062 2.157285 2.478366 1.086502 4.455430 24 P 4.307317 4.485417 4.350672 5.995699 2.663107 25 O 5.082358 5.132682 4.685696 6.629269 3.817681 26 O 4.477516 5.046269 5.123923 6.511176 3.038107 27 O 5.261573 5.150793 5.131937 6.554107 3.113805 28 H 5.681643 5.380138 5.208694 6.753415 3.628767 29 H 6.136056 7.004008 7.940782 7.430584 5.870900 16 17 18 19 20 16 H 0.000000 17 C 2.193077 0.000000 18 H 2.444451 1.084915 0.000000 19 H 2.682430 1.083558 1.767851 0.000000 20 O 2.055185 2.356166 3.290788 2.518169 0.000000 21 H 5.011551 2.857309 2.901824 3.036885 4.794293 22 H 4.532039 2.812164 2.490244 3.525890 4.813116 23 H 5.372074 3.502510 3.692286 4.040655 4.959504 24 P 2.745597 3.876730 4.688177 3.925454 1.636175 25 O 4.099332 4.760552 5.711371 4.600709 2.485117 26 O 2.915707 4.514766 5.150572 4.855007 2.535528 27 O 2.725160 4.093774 4.700349 3.889542 2.513970 28 H 3.393518 4.352053 5.030131 3.919344 2.839798 29 H 5.429261 6.588858 6.100564 7.526476 7.008291 21 22 23 24 25 21 H 0.000000 22 H 1.766634 0.000000 23 H 1.762311 1.758836 0.000000 24 P 6.424233 6.389453 6.553245 0.000000 25 O 6.959001 7.212344 7.065183 1.475509 0.000000 26 O 7.121391 6.730089 7.013931 1.469672 2.608644 27 O 6.801840 6.848520 7.305481 1.645635 2.506067 28 H 6.872195 7.154259 7.501015 2.120211 2.439554 29 H 8.256276 6.695357 7.910557 7.362659 8.773589 26 27 28 29 26 O 0.000000 27 O 2.514644 0.000000 28 H 3.276758 0.947110 0.000000 29 H 6.405767 7.596885 8.482993 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.715624 -0.662945 0.138308 2 8 0 -4.203239 -0.353151 1.498837 3 8 0 -4.271346 -0.035742 -1.087085 4 8 0 -3.860312 -2.296902 -0.072113 5 6 0 -1.897674 -0.486180 0.128533 6 1 0 -1.372015 -0.992394 0.923713 7 6 0 -1.241262 0.241814 -0.759960 8 1 0 -1.816439 0.726593 -1.531828 9 6 0 0.242969 0.530353 -0.864616 10 1 0 0.672521 -0.010777 -1.695846 11 8 0 0.397068 1.926054 -1.135289 12 6 0 0.811655 2.628779 0.014349 13 1 0 1.822864 2.986718 -0.159314 14 6 0 -0.110109 3.816910 0.247888 15 6 0 1.089268 0.304703 0.389269 16 1 0 0.809981 -0.583566 0.934804 17 6 0 0.826940 1.598914 1.149471 18 1 0 -0.139037 1.555444 1.641445 19 1 0 1.594696 1.797940 1.887738 20 8 0 2.457660 0.286595 0.067763 21 1 0 0.209023 4.388435 1.118377 22 1 0 -1.128337 3.478976 0.407498 23 1 0 -0.103151 4.478793 -0.613709 24 15 0 3.282498 -1.111727 -0.135712 25 8 0 4.676537 -0.720618 -0.419998 26 8 0 2.486518 -2.030245 -0.961954 27 8 0 3.257509 -1.685173 1.406575 28 1 0 3.998438 -1.297534 1.851295 29 1 0 -3.905532 -2.446845 -1.006588 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5807158 0.1936496 0.1619712 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.3143438534 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.80D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 -0.000000 Rot= 1.000000 -0.000327 -0.000051 0.000078 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) = -1552.57168760 A.U. after 9 cycles NFock= 9 Conv=0.37D-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 15 -0.000080162 0.000148015 -0.000068481 2 8 0.000010040 0.000020489 -0.000007108 3 8 -0.000000435 -0.000024627 0.000005054 4 8 0.000058461 -0.000151180 0.000054887 5 6 0.000018493 -0.000067938 0.000016618 6 1 0.000015505 0.000000266 -0.000008279 7 6 -0.000006079 0.000082190 0.000014173 8 1 0.000006189 -0.000004466 0.000016369 9 6 -0.000047810 0.000035291 -0.000022055 10 1 0.000006164 0.000003519 -0.000007298 11 8 0.000038199 -0.000073313 -0.000010650 12 6 -0.000024699 -0.000004787 -0.000001379 13 1 0.000012814 0.000009277 -0.000002875 14 6 0.000000005 -0.000006879 0.000010874 15 6 -0.000069082 -0.000010061 -0.000012417 16 1 0.000015302 -0.000002571 -0.000015641 17 6 0.000018010 -0.000009838 0.000005866 18 1 -0.000005734 0.000005983 0.000001587 19 1 -0.000002629 0.000002126 0.000004576 20 8 0.000046031 0.000115210 0.000023862 21 1 -0.000004371 -0.000002236 0.000000443 22 1 -0.000002545 0.000001094 0.000000045 23 1 -0.000002442 0.000007385 -0.000000251 24 15 0.000014629 -0.000068754 -0.000066382 25 8 0.000024888 -0.000002326 0.000057635 26 8 -0.000032559 -0.000000345 -0.000017680 27 8 -0.000001149 -0.000045012 0.000021936 28 1 -0.000012156 0.000019810 -0.000000589 29 1 0.000007124 0.000023678 0.000007160 ------------------------------------------------------------------- Cartesian Forces: Max 0.000151180 RMS 0.000038508 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000155193 RMS 0.000019931 Search for a local minimum. Step number 28 out of a maximum of 161 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 19 20 21 22 23 24 25 26 27 28 DE= -7.22D-07 DEPred=-4.76D-07 R= 1.52D+00 Trust test= 1.52D+00 RLast= 1.10D-02 DXMaxT set to 7.61D-01 ITU= 0 1 1 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00086 0.00232 0.00305 0.00326 0.00335 Eigenvalues --- 0.00595 0.01091 0.02355 0.02755 0.03136 Eigenvalues --- 0.03215 0.03500 0.04211 0.04304 0.04638 Eigenvalues --- 0.05180 0.05369 0.05496 0.05550 0.05564 Eigenvalues --- 0.05991 0.06541 0.06718 0.07732 0.08086 Eigenvalues --- 0.08342 0.08697 0.12111 0.13572 0.14289 Eigenvalues --- 0.15220 0.15561 0.15878 0.15962 0.16011 Eigenvalues --- 0.16077 0.16139 0.16168 0.16611 0.17204 Eigenvalues --- 0.18397 0.19721 0.20102 0.20765 0.21080 Eigenvalues --- 0.21308 0.22379 0.23866 0.25134 0.26161 Eigenvalues --- 0.26352 0.28050 0.28470 0.29274 0.29843 Eigenvalues --- 0.30819 0.32788 0.33502 0.33584 0.33628 Eigenvalues --- 0.33775 0.34411 0.34520 0.34618 0.35616 Eigenvalues --- 0.36196 0.37669 0.39105 0.39911 0.43393 Eigenvalues --- 0.45958 0.48165 0.48650 0.54660 0.56481 Eigenvalues --- 0.59585 0.62230 0.67645 0.70057 0.98991 Eigenvalues --- 1.00948 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 28 27 26 25 24 23 22 21 20 19 RFO step: Lambda=-5.79081964D-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: 2.20886 -1.38354 0.03171 0.40164 -0.06402 RFO-DIIS coefs: -0.19466 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00083936 RMS(Int)= 0.00000074 Iteration 2 RMS(Cart)= 0.00000084 RMS(Int)= 0.00000017 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79320 0.00001 -0.00005 0.00008 0.00003 2.79324 R2 2.80533 0.00002 -0.00005 0.00006 0.00001 2.80535 R3 3.12521 -0.00016 -0.00043 -0.00027 -0.00070 3.12451 R4 3.45168 0.00000 0.00012 -0.00009 0.00003 3.45171 R5 1.79053 -0.00000 -0.00001 0.00001 -0.00000 1.79053 R6 2.03958 0.00001 0.00003 0.00001 0.00004 2.03962 R7 2.50007 -0.00001 -0.00010 0.00005 -0.00005 2.50002 R8 2.03672 0.00000 0.00005 -0.00001 0.00004 2.03675 R9 2.86414 -0.00005 -0.00002 -0.00005 -0.00008 2.86406 R10 2.04255 -0.00001 -0.00001 -0.00000 -0.00001 2.04254 R11 2.70237 0.00005 -0.00014 0.00030 0.00016 2.70253 R12 2.89033 -0.00001 -0.00009 0.00002 -0.00008 2.89026 R13 2.66403 -0.00002 -0.00003 -0.00005 -0.00008 2.66394 R14 2.05348 0.00000 0.00002 -0.00001 0.00001 2.05349 R15 2.87577 -0.00000 0.00000 -0.00002 -0.00002 2.87575 R16 2.89650 0.00001 -0.00002 0.00003 0.00001 2.89651 R17 2.05819 -0.00000 0.00000 -0.00001 -0.00001 2.05817 R18 2.04969 0.00000 -0.00002 0.00002 0.00000 2.04969 R19 2.05319 -0.00000 -0.00000 -0.00000 -0.00001 2.05319 R20 2.03936 0.00001 0.00001 0.00001 0.00001 2.03937 R21 2.87940 0.00001 -0.00008 0.00012 0.00004 2.87944 R22 2.65652 0.00003 0.00006 0.00007 0.00013 2.65665 R23 2.05019 -0.00000 0.00001 -0.00002 -0.00001 2.05019 R24 2.04763 -0.00000 -0.00001 -0.00001 -0.00001 2.04762 R25 3.09192 -0.00009 -0.00024 -0.00015 -0.00039 3.09153 R26 2.78831 0.00006 0.00007 0.00005 0.00012 2.78843 R27 2.77728 0.00004 0.00003 0.00005 0.00008 2.77736 R28 3.10980 -0.00003 -0.00011 -0.00010 -0.00021 3.10959 R29 1.78978 -0.00001 0.00000 -0.00002 -0.00002 1.78976 A1 2.15046 0.00001 0.00011 -0.00009 0.00002 2.15048 A2 1.87060 0.00000 -0.00010 0.00004 -0.00007 1.87053 A3 1.88913 -0.00001 -0.00014 0.00005 -0.00009 1.88904 A4 1.85423 0.00001 0.00022 0.00000 0.00023 1.85446 A5 1.90422 -0.00000 -0.00004 -0.00000 -0.00004 1.90417 A6 1.75383 -0.00001 -0.00007 0.00002 -0.00006 1.75377 A7 1.86086 0.00003 0.00031 0.00018 0.00049 1.86135 A8 2.02129 -0.00002 -0.00024 -0.00012 -0.00035 2.02094 A9 2.15397 0.00003 0.00022 0.00017 0.00039 2.15435 A10 2.10742 -0.00001 0.00004 -0.00004 -0.00001 2.10741 A11 2.05295 0.00001 0.00005 0.00005 0.00010 2.05305 A12 2.26141 0.00001 0.00027 -0.00001 0.00026 2.26168 A13 1.96874 -0.00002 -0.00033 -0.00004 -0.00037 1.96837 A14 1.92514 0.00000 0.00006 -0.00012 -0.00006 1.92508 A15 1.88010 -0.00000 -0.00014 -0.00001 -0.00015 1.87995 A16 2.04559 -0.00000 0.00022 -0.00016 0.00006 2.04565 A17 1.87574 0.00001 -0.00016 0.00030 0.00014 1.87588 A18 1.91421 -0.00000 -0.00004 -0.00001 -0.00005 1.91416 A19 1.81268 -0.00000 0.00002 0.00006 0.00008 1.81276 A20 1.94319 -0.00000 0.00000 0.00005 0.00006 1.94325 A21 1.88340 0.00001 0.00006 0.00003 0.00009 1.88349 A22 1.91368 -0.00002 -0.00007 -0.00007 -0.00014 1.91353 A23 1.84620 0.00000 0.00000 -0.00005 -0.00004 1.84616 A24 1.90817 -0.00000 0.00001 0.00002 0.00003 1.90820 A25 1.90752 -0.00001 0.00000 -0.00010 -0.00009 1.90743 A26 2.00091 0.00002 -0.00000 0.00016 0.00016 2.00107 A27 1.93357 0.00001 0.00008 -0.00003 0.00006 1.93363 A28 1.92618 -0.00000 -0.00004 -0.00001 -0.00005 1.92613 A29 1.92841 -0.00001 -0.00004 -0.00000 -0.00005 1.92837 A30 1.89753 -0.00000 0.00001 0.00003 0.00003 1.89756 A31 1.88836 0.00000 -0.00000 0.00001 0.00001 1.88838 A32 1.88862 0.00000 -0.00001 0.00000 -0.00001 1.88862 A33 1.97431 0.00000 -0.00003 0.00007 0.00004 1.97435 A34 1.76037 -0.00000 0.00005 -0.00000 0.00005 1.76041 A35 1.93159 0.00000 -0.00013 0.00007 -0.00006 1.93152 A36 1.98489 -0.00000 -0.00012 0.00006 -0.00006 1.98483 A37 1.93577 -0.00000 0.00014 -0.00015 -0.00001 1.93576 A38 1.86777 0.00000 0.00008 -0.00003 0.00004 1.86782 A39 1.77515 0.00001 -0.00006 0.00012 0.00006 1.77521 A40 1.93250 -0.00000 0.00005 -0.00005 0.00000 1.93250 A41 1.96951 -0.00000 -0.00000 -0.00001 -0.00001 1.96949 A42 1.92357 -0.00001 0.00003 -0.00008 -0.00005 1.92351 A43 1.95406 -0.00000 -0.00008 0.00003 -0.00005 1.95402 A44 1.90633 0.00000 0.00005 -0.00000 0.00005 1.90638 A45 2.12960 -0.00002 -0.00021 0.00015 -0.00007 2.12954 A46 1.84805 -0.00001 0.00014 -0.00015 -0.00001 1.84804 A47 1.90816 -0.00001 0.00003 -0.00011 -0.00008 1.90809 A48 1.74528 -0.00001 0.00021 -0.00023 -0.00002 1.74526 A49 2.17614 0.00001 -0.00007 0.00009 0.00002 2.17616 A50 1.86219 0.00001 -0.00014 0.00018 0.00004 1.86223 A51 1.87641 0.00001 -0.00011 0.00015 0.00004 1.87645 A52 1.86039 0.00001 0.00005 0.00004 0.00009 1.86048 D1 2.73473 0.00002 0.00246 0.00034 0.00280 2.73754 D2 0.40634 0.00001 0.00224 0.00042 0.00267 0.40900 D3 -1.57661 0.00001 0.00224 0.00042 0.00266 -1.57395 D4 0.86366 -0.00002 -0.00083 -0.00040 -0.00123 0.86243 D5 -2.24379 -0.00003 -0.00143 -0.00070 -0.00213 -2.24592 D6 -3.03846 -0.00001 -0.00084 -0.00048 -0.00132 -3.03978 D7 0.13727 -0.00003 -0.00144 -0.00078 -0.00221 0.13506 D8 -1.09394 -0.00001 -0.00063 -0.00047 -0.00110 -1.09504 D9 2.08179 -0.00003 -0.00124 -0.00077 -0.00200 2.07979 D10 -0.03417 0.00001 0.00070 0.00018 0.00088 -0.03329 D11 3.09265 0.00000 0.00044 -0.00008 0.00036 3.09301 D12 -3.14000 -0.00001 0.00008 -0.00013 -0.00006 -3.14006 D13 -0.01318 -0.00001 -0.00019 -0.00039 -0.00058 -0.01376 D14 1.87586 -0.00000 0.00169 0.00008 0.00178 1.87763 D15 -2.36495 0.00001 0.00146 0.00037 0.00183 -2.36312 D16 -0.33074 0.00000 0.00151 0.00034 0.00185 -0.32888 D17 -1.27993 -0.00001 0.00144 -0.00016 0.00128 -1.27865 D18 0.76245 0.00000 0.00121 0.00013 0.00133 0.76378 D19 2.79666 -0.00000 0.00126 0.00010 0.00136 2.79802 D20 1.81651 -0.00001 0.00032 0.00028 0.00060 1.81711 D21 -2.39241 0.00000 0.00024 0.00029 0.00053 -2.39189 D22 -0.36465 0.00000 0.00013 0.00044 0.00057 -0.36408 D23 0.70202 -0.00000 -0.00013 -0.00022 -0.00035 0.70168 D24 -1.42431 0.00000 -0.00000 -0.00032 -0.00032 -1.42463 D25 2.88651 0.00000 -0.00007 -0.00030 -0.00037 2.88613 D26 -1.50993 -0.00000 -0.00036 0.00010 -0.00027 -1.51019 D27 2.64693 0.00000 -0.00024 -0.00001 -0.00024 2.64669 D28 0.67456 0.00000 -0.00030 0.00001 -0.00029 0.67427 D29 2.77272 -0.00001 -0.00018 -0.00027 -0.00045 2.77227 D30 0.64639 -0.00001 -0.00005 -0.00038 -0.00042 0.64597 D31 -1.32598 -0.00001 -0.00011 -0.00036 -0.00047 -1.32646 D32 1.96464 -0.00001 -0.00010 -0.00048 -0.00059 1.96406 D33 -2.24168 -0.00002 -0.00010 -0.00048 -0.00058 -2.24226 D34 -0.07533 -0.00000 -0.00014 -0.00036 -0.00050 -0.07583 D35 -3.11638 0.00000 -0.00002 0.00007 0.00005 -3.11633 D36 1.06426 -0.00000 -0.00006 0.00006 -0.00000 1.06426 D37 -1.02384 0.00000 0.00000 0.00007 0.00007 -1.02377 D38 -1.05485 0.00000 0.00002 0.00007 0.00009 -1.05476 D39 3.12579 -0.00000 -0.00002 0.00006 0.00005 3.12583 D40 1.03769 0.00000 0.00004 0.00007 0.00012 1.03781 D41 1.09370 -0.00000 0.00003 0.00008 0.00010 1.09381 D42 -1.00885 -0.00000 -0.00001 0.00007 0.00006 -1.00879 D43 -3.09695 0.00000 0.00005 0.00007 0.00013 -3.09682 D44 0.48228 0.00000 0.00007 0.00014 0.00021 0.48249 D45 -1.56163 0.00001 0.00005 0.00019 0.00024 -1.56139 D46 2.57865 0.00000 -0.00005 0.00024 0.00018 2.57884 D47 -1.54135 -0.00000 -0.00000 0.00017 0.00017 -1.54118 D48 2.69792 0.00000 -0.00002 0.00023 0.00020 2.69813 D49 0.55502 -0.00000 -0.00013 0.00027 0.00014 0.55517 D50 2.59294 -0.00001 -0.00002 0.00011 0.00009 2.59303 D51 0.54903 -0.00000 -0.00004 0.00016 0.00012 0.54915 D52 -1.59387 -0.00001 -0.00014 0.00021 0.00006 -1.59381 D53 -0.67626 0.00000 -0.00000 0.00011 0.00011 -0.67616 D54 1.37411 0.00000 0.00004 0.00008 0.00012 1.37423 D55 -2.78348 -0.00000 0.00007 0.00004 0.00011 -2.78337 D56 -2.79515 0.00000 0.00006 -0.00000 0.00005 -2.79509 D57 -0.74477 0.00000 0.00010 -0.00003 0.00006 -0.74471 D58 1.38082 -0.00000 0.00013 -0.00007 0.00006 1.38088 D59 1.34416 0.00000 -0.00010 0.00017 0.00007 1.34423 D60 -2.88865 0.00000 -0.00006 0.00014 0.00008 -2.88857 D61 -0.76305 0.00000 -0.00002 0.00010 0.00008 -0.76298 D62 -1.71744 0.00001 -0.00135 0.00118 -0.00017 -1.71761 D63 0.48866 0.00002 -0.00138 0.00122 -0.00017 0.48850 D64 2.66278 0.00002 -0.00139 0.00117 -0.00022 2.66256 D65 -3.11388 -0.00001 0.00004 0.00031 0.00035 -3.11353 D66 0.78484 -0.00001 -0.00001 0.00040 0.00039 0.78523 D67 -1.18182 -0.00001 0.00001 0.00037 0.00038 -1.18143 D68 -1.50360 -0.00001 -0.00017 -0.00042 -0.00059 -1.50419 D69 0.41735 -0.00002 0.00002 -0.00062 -0.00060 0.41675 D70 2.78847 0.00000 -0.00026 -0.00025 -0.00051 2.78795 Item Value Threshold Converged? Maximum Force 0.000155 0.000450 YES RMS Force 0.000020 0.000300 YES Maximum Displacement 0.005168 0.001800 NO RMS Displacement 0.000839 0.001200 YES Predicted change in Energy=-2.709217D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.602348 1.772710 -0.636363 2 8 0 2.591316 1.431249 -1.680480 3 8 0 0.588075 0.813145 -0.132081 4 8 0 0.764004 3.093632 -1.171291 5 6 0 2.495972 2.498194 0.781895 6 1 0 3.194376 3.285873 0.543721 7 6 0 2.347142 2.080276 2.028250 8 1 0 1.636928 1.289974 2.209023 9 6 0 3.051233 2.536541 3.290434 10 1 0 2.377602 3.113989 3.907724 11 8 0 3.417805 1.368989 4.030488 12 6 0 4.796359 1.098840 3.912770 13 1 0 5.252499 1.257974 4.886139 14 6 0 4.999587 -0.349398 3.491906 15 6 0 4.370135 3.292255 3.121199 16 1 0 4.355251 3.991960 2.299712 17 6 0 5.341003 2.134717 2.922974 18 1 0 5.278696 1.763350 1.905508 19 1 0 6.363685 2.422721 3.135714 20 8 0 4.732387 3.932555 4.319188 21 1 0 6.060317 -0.585814 3.419911 22 1 0 4.536255 -0.530855 2.528130 23 1 0 4.550361 -1.022665 4.216742 24 15 0 4.431716 5.519417 4.579685 25 8 0 4.987029 5.822160 5.912836 26 8 0 3.059581 5.830597 4.154865 27 8 0 5.454861 6.188557 3.478244 28 1 0 6.297568 6.265484 3.903601 29 1 0 -0.066089 3.091573 -0.714445 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478118 0.000000 3 O 1.484525 2.606255 0.000000 4 O 1.653421 2.522272 2.512275 0.000000 5 C 1.826566 2.685284 2.704591 2.677535 0.000000 6 H 2.493354 2.958104 3.655666 2.980760 1.079320 7 C 2.783788 3.773000 3.060550 3.710832 1.322954 8 H 2.886252 4.007374 2.609258 3.929593 2.057778 9 C 4.254695 5.113040 4.555310 5.044675 2.569543 10 H 4.800914 5.839975 4.981597 5.329212 3.188107 11 O 5.023780 5.770798 5.063922 6.088970 3.560651 12 C 5.599145 6.021392 5.843980 6.788723 4.129450 13 H 6.639773 7.087483 6.865658 7.759426 5.097196 14 C 5.752146 5.976960 5.826339 7.179138 4.660583 15 C 4.908047 5.448271 5.570798 5.609733 3.100865 16 H 4.596094 5.050805 5.496371 5.074635 2.827017 17 C 5.174695 5.408090 5.802606 6.215420 3.579181 18 H 4.469533 4.493507 5.201594 5.623058 3.089669 19 H 6.109125 6.197541 6.828389 7.096256 4.528286 20 O 6.246564 6.843737 6.835191 6.826215 4.423956 21 H 6.472208 6.489723 6.672268 7.916337 5.401369 22 H 4.891650 5.034386 4.946836 6.407223 4.048115 23 H 6.329101 6.681076 6.162967 7.766034 5.330585 24 P 7.017855 7.699990 7.689168 7.239494 5.224758 25 O 8.411071 9.092744 8.999003 8.686983 6.601566 26 O 6.445606 7.322894 7.047061 6.413158 4.774881 27 O 7.160416 7.579202 8.100316 7.293894 5.444640 28 H 7.927255 8.263661 8.866399 8.150798 6.195939 29 H 2.128187 3.278978 2.440966 0.947505 3.025771 6 7 8 9 10 6 H 0.000000 7 C 2.091672 0.000000 8 H 3.030262 1.077804 0.000000 9 C 2.850687 1.515596 2.173393 0.000000 10 H 3.466003 2.145207 2.600234 1.080866 0.000000 11 O 3.985211 2.379328 2.548627 1.430117 2.035220 12 C 4.324345 3.242422 3.594620 2.345156 3.148212 13 H 5.215826 4.157500 4.498925 3.004427 3.559090 14 C 5.016550 3.883435 3.954846 3.487882 4.363802 15 C 2.832991 2.599217 3.508791 1.529460 2.149556 16 H 2.220292 2.785808 3.833828 2.190944 2.695854 17 C 3.404998 3.125171 3.865681 2.353622 3.272682 18 H 2.918378 2.951188 3.684926 2.734490 3.774843 19 H 4.184254 4.180474 4.948142 3.318017 4.118581 20 O 4.127690 3.790611 4.584528 2.415258 2.526731 21 H 5.610352 4.778328 4.954917 4.338255 5.242985 22 H 4.506211 3.443850 3.438510 3.492180 4.455104 23 H 5.821793 4.389978 4.226975 3.971572 4.682764 24 P 4.775849 4.762663 5.596344 3.530644 3.233728 25 O 6.202721 6.005057 6.744043 4.628130 4.261898 26 O 4.419745 4.369779 5.140768 3.405600 2.811784 27 O 4.706038 5.351484 6.339058 4.376062 4.371149 28 H 5.458633 6.052997 7.024875 4.981935 5.029719 29 H 3.500195 3.790618 3.833105 5.105371 5.228439 11 12 13 14 15 11 O 0.000000 12 C 1.409698 0.000000 13 H 2.027453 1.086662 0.000000 14 C 2.396865 1.521782 2.142778 0.000000 15 C 2.330814 2.370511 2.834057 3.714198 0.000000 16 H 3.279385 3.341657 3.869022 4.547953 1.079189 17 C 2.347683 1.532767 2.151866 2.571201 1.523736 18 H 2.852013 2.168716 3.023286 2.656740 2.154283 19 H 3.254103 2.193853 2.378100 3.110029 2.174981 20 O 2.895401 2.863426 2.783044 4.369315 1.405841 21 H 3.343191 2.162998 2.490372 1.089139 4.240915 22 H 2.667849 2.154249 3.045180 1.084650 3.872402 23 H 2.652806 2.157243 2.478388 1.086499 4.455472 24 P 4.307631 4.485447 4.350573 5.995726 2.662935 25 O 5.082955 5.132871 4.685762 6.629418 3.817619 26 O 4.477693 5.046239 5.123722 6.511181 3.037959 27 O 5.261446 5.150501 5.131643 6.553802 3.113307 28 H 5.681972 5.380328 5.208906 6.753585 3.628669 29 H 6.133449 7.001822 7.938262 7.429317 5.867923 16 17 18 19 20 16 H 0.000000 17 C 2.193060 0.000000 18 H 2.444350 1.084912 0.000000 19 H 2.682390 1.083552 1.767875 0.000000 20 O 2.055247 2.356278 3.290859 2.518202 0.000000 21 H 5.011796 2.857559 2.902227 3.037117 4.794555 22 H 4.532195 2.812258 2.490433 3.525943 4.813355 23 H 5.372106 3.502571 3.692446 4.040724 4.959621 24 P 2.745405 3.876556 4.687924 3.925186 1.635968 25 O 4.099200 4.760442 5.711189 4.600410 2.484987 26 O 2.915637 4.514639 5.150395 4.854831 2.535319 27 O 2.724540 4.093276 4.699680 3.889063 2.513702 28 H 3.393224 4.351998 5.029879 3.919292 2.839905 29 H 5.426241 6.586580 6.098775 7.524167 7.005004 21 22 23 24 25 21 H 0.000000 22 H 1.766651 0.000000 23 H 1.762313 1.758830 0.000000 24 P 6.424271 6.389491 6.553215 0.000000 25 O 6.959076 7.212505 7.065341 1.475574 0.000000 26 O 7.121439 6.730149 7.013804 1.469714 2.608752 27 O 6.801623 6.848142 7.305150 1.645523 2.506063 28 H 6.872447 7.154325 7.501193 2.120168 2.439483 29 H 8.255236 6.694614 7.909182 7.358837 8.769890 26 27 28 29 26 O 0.000000 27 O 2.514621 0.000000 28 H 3.276709 0.947101 0.000000 29 H 6.401738 7.592816 8.479162 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.715776 -0.663042 0.138272 2 8 0 -4.203899 -0.353915 1.498790 3 8 0 -4.271460 -0.035722 -1.087086 4 8 0 -3.859235 -2.296700 -0.072404 5 6 0 -1.897919 -0.485120 0.129121 6 1 0 -1.372603 -0.990386 0.925162 7 6 0 -1.241081 0.241526 -0.760124 8 1 0 -1.815822 0.725399 -1.532912 9 6 0 0.243062 0.530363 -0.864632 10 1 0 0.672734 -0.010636 -1.695880 11 8 0 0.396700 1.926237 -1.135124 12 6 0 0.811733 2.628876 0.014352 13 1 0 1.822986 2.986620 -0.159490 14 6 0 -0.109815 3.817159 0.247922 15 6 0 1.089368 0.304714 0.389200 16 1 0 0.810068 -0.583508 0.934821 17 6 0 0.827171 1.598959 1.149432 18 1 0 -0.138739 1.555458 1.641529 19 1 0 1.595058 1.797938 1.887567 20 8 0 2.457795 0.286470 0.067541 21 1 0 0.209532 4.388797 1.118250 22 1 0 -1.128048 3.479335 0.407746 23 1 0 -0.102938 4.478875 -0.613799 24 15 0 3.282355 -1.111814 -0.135662 25 8 0 4.676567 -0.720903 -0.419708 26 8 0 2.486317 -2.030187 -0.962083 27 8 0 3.256912 -1.685118 1.406551 28 1 0 3.998079 -1.298032 1.851339 29 1 0 -3.901668 -2.447182 -1.006921 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5806931 0.1936577 0.1619751 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.3345948745 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.80D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 0.000000 Rot= 1.000000 -0.000008 0.000010 0.000001 Ang= -0.00 deg. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RHF) = -1552.57168798 A.U. after 8 cycles NFock= 8 Conv=0.42D-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 15 0.000018049 -0.000039633 -0.000003603 2 8 -0.000009965 0.000021469 -0.000000145 3 8 0.000003419 -0.000011174 0.000004345 4 8 -0.000026163 0.000015497 -0.000014503 5 6 0.000012861 0.000012165 0.000000992 6 1 0.000022429 -0.000011701 0.000007955 7 6 -0.000025189 -0.000000986 0.000045293 8 1 0.000000650 0.000002741 -0.000017523 9 6 -0.000021880 0.000024208 -0.000036833 10 1 0.000008041 -0.000008632 0.000004755 11 8 -0.000009869 -0.000012319 -0.000002200 12 6 -0.000018952 0.000016877 -0.000007796 13 1 0.000008513 0.000004426 0.000001427 14 6 0.000006680 -0.000000149 0.000000820 15 6 -0.000041606 -0.000016175 0.000027955 16 1 0.000008559 -0.000004744 -0.000004805 17 6 0.000018093 -0.000008981 0.000009102 18 1 -0.000001450 0.000003015 -0.000000519 19 1 0.000003841 0.000000151 -0.000000985 20 8 0.000066528 -0.000025914 -0.000034531 21 1 -0.000000236 -0.000002924 -0.000000501 22 1 -0.000000174 -0.000001101 0.000000336 23 1 -0.000001345 0.000006949 0.000000345 24 15 -0.000050221 -0.000006178 0.000038782 25 8 -0.000006756 0.000002782 -0.000009347 26 8 0.000006103 0.000011818 0.000000941 27 8 0.000031103 0.000006905 -0.000021828 28 1 -0.000007704 0.000015249 0.000005877 29 1 0.000006639 0.000006360 0.000006192 ------------------------------------------------------------------- Cartesian Forces: Max 0.000066528 RMS 0.000017794 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000037006 RMS 0.000009659 Search for a local minimum. Step number 29 out of a maximum of 161 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 19 20 21 22 23 24 25 26 27 28 29 DE= -3.82D-07 DEPred=-2.71D-07 R= 1.41D+00 Trust test= 1.41D+00 RLast= 7.94D-03 DXMaxT set to 7.61D-01 ITU= 0 0 1 1 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00087 0.00232 0.00285 0.00294 0.00322 Eigenvalues --- 0.00574 0.01064 0.01622 0.02419 0.03102 Eigenvalues --- 0.03213 0.03486 0.04282 0.04365 0.04630 Eigenvalues --- 0.05198 0.05372 0.05495 0.05548 0.05573 Eigenvalues --- 0.06001 0.06526 0.06734 0.07735 0.08095 Eigenvalues --- 0.08322 0.08715 0.12171 0.13542 0.14519 Eigenvalues --- 0.15411 0.15710 0.15873 0.15979 0.16019 Eigenvalues --- 0.16108 0.16137 0.16282 0.16540 0.17348 Eigenvalues --- 0.18399 0.19753 0.20087 0.20896 0.21237 Eigenvalues --- 0.21740 0.22358 0.24493 0.25030 0.26215 Eigenvalues --- 0.26435 0.28094 0.28446 0.29371 0.29874 Eigenvalues --- 0.30708 0.32698 0.33503 0.33570 0.33637 Eigenvalues --- 0.33827 0.34389 0.34515 0.34639 0.35664 Eigenvalues --- 0.36203 0.37669 0.39118 0.42738 0.45230 Eigenvalues --- 0.45994 0.48372 0.52282 0.54748 0.56960 Eigenvalues --- 0.59621 0.62293 0.67553 0.69962 0.99072 Eigenvalues --- 1.01238 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 29 28 27 26 25 24 23 22 21 20 RFO step: Lambda=-2.75376188D-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: 1.65801 -0.36307 -0.49103 0.18196 0.09640 RFO-DIIS coefs: -0.08227 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00196515 RMS(Int)= 0.00000167 Iteration 2 RMS(Cart)= 0.00000220 RMS(Int)= 0.00000014 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000014 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79324 -0.00001 0.00000 -0.00002 -0.00002 2.79322 R2 2.80535 0.00001 0.00002 -0.00000 0.00001 2.80536 R3 3.12451 0.00003 -0.00046 0.00026 -0.00020 3.12432 R4 3.45171 0.00001 -0.00001 0.00006 0.00005 3.45176 R5 1.79053 -0.00000 -0.00001 -0.00000 -0.00001 1.79052 R6 2.03962 0.00000 0.00005 -0.00003 0.00002 2.03964 R7 2.50002 -0.00000 -0.00005 0.00004 -0.00001 2.50001 R8 2.03675 -0.00001 0.00002 -0.00003 -0.00001 2.03675 R9 2.86406 -0.00002 -0.00006 -0.00000 -0.00006 2.86400 R10 2.04254 -0.00001 -0.00003 0.00000 -0.00003 2.04252 R11 2.70253 -0.00000 0.00010 -0.00003 0.00007 2.70260 R12 2.89026 0.00000 -0.00002 0.00008 0.00006 2.89032 R13 2.66394 0.00001 -0.00008 0.00005 -0.00003 2.66391 R14 2.05349 0.00001 0.00002 0.00001 0.00003 2.05352 R15 2.87575 -0.00000 -0.00001 -0.00002 -0.00003 2.87572 R16 2.89651 -0.00001 -0.00006 -0.00003 -0.00009 2.89642 R17 2.05817 0.00000 -0.00001 0.00001 -0.00000 2.05817 R18 2.04969 -0.00000 0.00000 0.00000 0.00001 2.04970 R19 2.05319 -0.00000 -0.00001 -0.00001 -0.00001 2.05317 R20 2.03937 0.00000 0.00002 -0.00003 -0.00001 2.03936 R21 2.87944 0.00000 0.00003 -0.00003 -0.00001 2.87943 R22 2.65665 -0.00000 0.00011 -0.00007 0.00004 2.65669 R23 2.05019 -0.00000 0.00001 -0.00000 0.00001 2.05019 R24 2.04762 0.00000 -0.00001 0.00002 0.00001 2.04763 R25 3.09153 0.00004 -0.00025 0.00016 -0.00009 3.09144 R26 2.78843 -0.00001 0.00009 -0.00005 0.00004 2.78847 R27 2.77736 -0.00000 0.00006 -0.00004 0.00002 2.77738 R28 3.10959 0.00003 -0.00013 0.00012 -0.00001 3.10958 R29 1.78976 -0.00000 -0.00001 -0.00000 -0.00001 1.78975 A1 2.15048 0.00001 -0.00000 0.00005 0.00005 2.15053 A2 1.87053 -0.00001 -0.00003 -0.00007 -0.00010 1.87043 A3 1.88904 0.00001 -0.00004 0.00007 0.00003 1.88907 A4 1.85446 0.00000 0.00016 -0.00008 0.00008 1.85454 A5 1.90417 -0.00001 -0.00004 -0.00002 -0.00006 1.90411 A6 1.75377 -0.00000 -0.00006 0.00004 -0.00001 1.75376 A7 1.86135 0.00000 0.00031 -0.00011 0.00019 1.86154 A8 2.02094 0.00002 -0.00013 0.00014 0.00001 2.02095 A9 2.15435 -0.00001 0.00023 -0.00019 0.00004 2.15439 A10 2.10741 -0.00001 -0.00008 0.00004 -0.00003 2.10737 A11 2.05305 -0.00000 0.00013 -0.00012 0.00001 2.05305 A12 2.26168 -0.00003 -0.00004 -0.00003 -0.00006 2.26161 A13 1.96837 0.00003 -0.00009 0.00015 0.00006 1.96843 A14 1.92508 0.00000 0.00015 -0.00001 0.00014 1.92522 A15 1.87995 0.00001 -0.00006 -0.00005 -0.00011 1.87984 A16 2.04565 -0.00001 -0.00024 0.00015 -0.00009 2.04556 A17 1.87588 -0.00001 0.00008 -0.00005 0.00003 1.87591 A18 1.91416 0.00000 -0.00001 -0.00000 -0.00002 1.91414 A19 1.81276 -0.00000 0.00010 -0.00006 0.00004 1.81280 A20 1.94325 -0.00001 0.00006 -0.00003 0.00004 1.94329 A21 1.88349 0.00000 0.00016 -0.00000 0.00016 1.88365 A22 1.91353 -0.00001 -0.00015 0.00004 -0.00010 1.91343 A23 1.84616 0.00001 -0.00008 0.00008 0.00000 1.84616 A24 1.90820 0.00000 0.00000 -0.00003 -0.00003 1.90817 A25 1.90743 -0.00000 -0.00013 -0.00001 -0.00014 1.90729 A26 2.00107 -0.00000 0.00019 -0.00007 0.00012 2.00118 A27 1.93363 0.00001 0.00008 0.00001 0.00009 1.93372 A28 1.92613 0.00000 -0.00003 0.00002 -0.00000 1.92613 A29 1.92837 -0.00001 -0.00007 -0.00004 -0.00011 1.92826 A30 1.89756 -0.00000 0.00002 -0.00000 0.00002 1.89758 A31 1.88838 0.00000 0.00001 0.00000 0.00001 1.88839 A32 1.88862 0.00000 -0.00002 0.00001 -0.00001 1.88860 A33 1.97435 -0.00001 -0.00009 0.00005 -0.00003 1.97432 A34 1.76041 0.00001 0.00001 0.00009 0.00010 1.76052 A35 1.93152 0.00001 0.00010 0.00004 0.00014 1.93167 A36 1.98483 -0.00000 -0.00007 -0.00001 -0.00008 1.98475 A37 1.93576 0.00000 0.00006 -0.00007 -0.00001 1.93575 A38 1.86782 -0.00001 -0.00002 -0.00009 -0.00011 1.86771 A39 1.77521 -0.00001 -0.00005 -0.00012 -0.00016 1.77504 A40 1.93250 0.00000 0.00002 0.00003 0.00004 1.93255 A41 1.96949 0.00001 0.00002 0.00003 0.00006 1.96955 A42 1.92351 0.00000 -0.00005 0.00000 -0.00005 1.92346 A43 1.95402 0.00000 -0.00002 0.00006 0.00004 1.95405 A44 1.90638 -0.00000 0.00007 -0.00001 0.00006 1.90644 A45 2.12954 -0.00001 0.00001 -0.00007 -0.00006 2.12947 A46 1.84804 0.00001 0.00001 -0.00000 0.00001 1.84806 A47 1.90809 0.00001 -0.00003 0.00001 -0.00001 1.90808 A48 1.74526 0.00002 0.00003 0.00010 0.00012 1.74538 A49 2.17616 -0.00001 -0.00001 -0.00003 -0.00004 2.17612 A50 1.86223 -0.00001 -0.00000 -0.00005 -0.00005 1.86217 A51 1.87645 -0.00001 0.00000 0.00001 0.00001 1.87646 A52 1.86048 -0.00000 0.00009 -0.00010 -0.00001 1.86048 D1 2.73754 0.00001 0.00179 -0.00038 0.00141 2.73894 D2 0.40900 0.00000 0.00170 -0.00034 0.00136 0.41036 D3 -1.57395 0.00001 0.00171 -0.00031 0.00140 -1.57255 D4 0.86243 -0.00002 -0.00060 -0.00046 -0.00106 0.86138 D5 -2.24592 -0.00002 -0.00131 -0.00023 -0.00154 -2.24746 D6 -3.03978 -0.00001 -0.00067 -0.00034 -0.00101 -3.04079 D7 0.13506 -0.00001 -0.00138 -0.00012 -0.00150 0.13356 D8 -1.09504 -0.00001 -0.00053 -0.00042 -0.00095 -1.09599 D9 2.07979 -0.00001 -0.00124 -0.00020 -0.00143 2.07836 D10 -0.03329 0.00000 0.00060 -0.00015 0.00044 -0.03285 D11 3.09301 0.00000 0.00033 0.00005 0.00038 3.09339 D12 -3.14006 -0.00000 -0.00015 0.00008 -0.00006 -3.14012 D13 -0.01376 -0.00000 -0.00041 0.00028 -0.00013 -0.01389 D14 1.87763 0.00000 -0.00192 0.00003 -0.00189 1.87575 D15 -2.36312 0.00000 -0.00178 -0.00006 -0.00184 -2.36496 D16 -0.32888 -0.00000 -0.00184 -0.00008 -0.00192 -0.33080 D17 -1.27865 0.00000 -0.00217 0.00022 -0.00195 -1.28060 D18 0.76378 0.00000 -0.00203 0.00013 -0.00190 0.76188 D19 2.79802 -0.00000 -0.00209 0.00011 -0.00198 2.79604 D20 1.81711 -0.00000 0.00083 0.00021 0.00104 1.81815 D21 -2.39189 0.00000 0.00102 0.00014 0.00117 -2.39072 D22 -0.36408 0.00001 0.00109 0.00009 0.00118 -0.36290 D23 0.70168 -0.00000 -0.00051 0.00011 -0.00040 0.70127 D24 -1.42463 -0.00000 -0.00039 0.00004 -0.00035 -1.42498 D25 2.88613 0.00000 -0.00041 0.00008 -0.00033 2.88581 D26 -1.51019 -0.00000 -0.00052 0.00000 -0.00052 -1.51071 D27 2.64669 -0.00001 -0.00040 -0.00007 -0.00047 2.64622 D28 0.67427 -0.00000 -0.00042 -0.00002 -0.00044 0.67382 D29 2.77227 0.00000 -0.00065 0.00009 -0.00056 2.77171 D30 0.64597 0.00000 -0.00053 0.00002 -0.00051 0.64545 D31 -1.32646 0.00001 -0.00055 0.00006 -0.00049 -1.32695 D32 1.96406 -0.00001 -0.00132 -0.00008 -0.00140 1.96265 D33 -2.24226 -0.00001 -0.00131 -0.00010 -0.00140 -2.24366 D34 -0.07583 -0.00001 -0.00121 -0.00011 -0.00132 -0.07715 D35 -3.11633 0.00000 0.00010 0.00005 0.00014 -3.11619 D36 1.06426 0.00000 0.00004 0.00002 0.00006 1.06432 D37 -1.02377 0.00000 0.00012 0.00003 0.00015 -1.02362 D38 -1.05476 0.00000 0.00021 0.00005 0.00026 -1.05450 D39 3.12583 -0.00000 0.00015 0.00003 0.00018 3.12601 D40 1.03781 0.00000 0.00024 0.00003 0.00026 1.03807 D41 1.09381 -0.00000 0.00018 -0.00004 0.00014 1.09394 D42 -1.00879 -0.00001 0.00011 -0.00006 0.00005 -1.00874 D43 -3.09682 -0.00000 0.00020 -0.00006 0.00014 -3.09667 D44 0.48249 0.00000 0.00081 0.00009 0.00090 0.48339 D45 -1.56139 0.00001 0.00088 0.00014 0.00102 -1.56036 D46 2.57884 0.00000 0.00077 0.00011 0.00087 2.57971 D47 -1.54118 -0.00000 0.00072 0.00006 0.00078 -1.54040 D48 2.69813 0.00000 0.00080 0.00011 0.00091 2.69903 D49 0.55517 -0.00000 0.00068 0.00007 0.00075 0.55592 D50 2.59303 0.00000 0.00068 0.00016 0.00084 2.59387 D51 0.54915 0.00000 0.00076 0.00021 0.00097 0.55012 D52 -1.59381 0.00000 0.00064 0.00017 0.00082 -1.59299 D53 -0.67616 -0.00000 -0.00017 -0.00006 -0.00023 -0.67638 D54 1.37423 -0.00000 -0.00020 -0.00009 -0.00028 1.37395 D55 -2.78337 -0.00000 -0.00016 -0.00005 -0.00021 -2.78358 D56 -2.79509 0.00000 -0.00004 -0.00017 -0.00021 -2.79530 D57 -0.74471 -0.00000 -0.00007 -0.00020 -0.00027 -0.74497 D58 1.38088 -0.00000 -0.00003 -0.00017 -0.00020 1.38069 D59 1.34423 0.00001 -0.00006 -0.00000 -0.00007 1.34417 D60 -2.88857 0.00001 -0.00009 -0.00003 -0.00012 -2.88869 D61 -0.76298 0.00001 -0.00005 -0.00000 -0.00005 -0.76303 D62 -1.71761 0.00002 0.00082 0.00011 0.00093 -1.71668 D63 0.48850 0.00002 0.00083 0.00016 0.00099 0.48949 D64 2.66256 0.00001 0.00077 0.00003 0.00081 2.66337 D65 -3.11353 -0.00001 -0.00033 -0.00025 -0.00058 -3.11411 D66 0.78523 -0.00001 -0.00031 -0.00021 -0.00052 0.78471 D67 -1.18143 -0.00002 -0.00032 -0.00027 -0.00058 -1.18202 D68 -1.50419 -0.00001 -0.00021 -0.00036 -0.00057 -1.50476 D69 0.41675 0.00000 -0.00019 -0.00034 -0.00053 0.41622 D70 2.78795 -0.00002 -0.00020 -0.00042 -0.00061 2.78734 Item Value Threshold Converged? Maximum Force 0.000037 0.000450 YES RMS Force 0.000010 0.000300 YES Maximum Displacement 0.010844 0.001800 NO RMS Displacement 0.001965 0.001200 NO Predicted change in Energy=-1.323450D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.602193 1.774597 -0.637470 2 8 0 2.590839 1.436988 -1.683129 3 8 0 0.590366 0.812115 -0.133816 4 8 0 0.760807 3.094679 -1.169367 5 6 0 2.495661 2.499474 0.781229 6 1 0 3.192964 3.288325 0.543666 7 6 0 2.347640 2.080233 2.027231 8 1 0 1.638493 1.288849 2.207443 9 6 0 3.051496 2.536267 3.289594 10 1 0 2.377994 3.113948 3.906783 11 8 0 3.417475 1.368473 4.029631 12 6 0 4.796195 1.098608 3.913402 13 1 0 5.251588 1.258800 4.886962 14 6 0 5.000052 -0.349997 3.494160 15 6 0 4.370732 3.291515 3.120606 16 1 0 4.356380 3.990873 2.298822 17 6 0 5.341425 2.133700 2.923183 18 1 0 5.279208 1.761839 1.905888 19 1 0 6.364128 2.421579 3.136022 20 8 0 4.732893 3.932194 4.318442 21 1 0 6.060863 -0.586419 3.423422 22 1 0 4.537628 -0.532483 2.530139 23 1 0 4.550169 -1.022524 4.219265 24 15 0 4.431540 5.518934 4.578603 25 8 0 4.986180 5.822072 5.911968 26 8 0 3.059434 5.829526 4.153224 27 8 0 5.454851 6.188493 3.477576 28 1 0 6.297205 6.266288 3.903459 29 1 0 -0.068401 3.091055 -0.710938 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478108 0.000000 3 O 1.484531 2.606286 0.000000 4 O 1.653318 2.522084 2.512272 0.000000 5 C 1.826592 2.685330 2.704559 2.677464 0.000000 6 H 2.493393 2.957807 3.655696 2.981169 1.079330 7 C 2.783835 3.773551 3.060435 3.710172 1.322949 8 H 2.886312 4.008174 2.609088 3.928638 2.057775 9 C 4.254697 5.113570 4.555172 5.043948 2.569474 10 H 4.800620 5.839915 4.982016 5.327566 3.187555 11 O 5.024143 5.772664 5.063237 6.088288 3.561042 12 C 5.600807 6.024887 5.843890 6.789933 4.131027 13 H 6.641045 7.090658 6.865474 7.759940 5.098180 14 C 5.755841 5.983473 5.827353 7.182303 4.663845 15 C 4.908052 5.448226 5.570444 5.610184 3.100952 16 H 4.595567 5.049297 5.495916 5.075396 2.826594 17 C 5.175815 5.410106 5.802103 6.217275 3.580521 18 H 4.470936 4.495987 5.200731 5.625798 3.091455 19 H 6.110143 6.199303 6.827778 7.098355 4.529476 20 O 6.246404 6.843486 6.835059 6.826049 4.423773 21 H 6.476494 6.497085 6.673543 7.920529 5.405051 22 H 4.896238 5.041869 4.948281 6.411476 4.052294 23 H 6.332639 6.687782 6.164029 7.768395 5.333438 24 P 7.016600 7.698036 7.688670 7.238124 5.223486 25 O 8.410027 9.091322 8.998576 8.685491 6.600517 26 O 6.443349 7.319630 7.046235 6.410386 4.772571 27 O 7.159543 7.577087 8.100050 7.293820 5.443891 28 H 7.927071 8.262521 8.866544 8.151342 6.195881 29 H 2.128226 3.279124 2.441437 0.947500 3.025053 6 7 8 9 10 6 H 0.000000 7 C 2.091656 0.000000 8 H 3.030254 1.077800 0.000000 9 C 2.850565 1.515566 2.173403 0.000000 10 H 3.464843 2.145274 2.601077 1.080853 0.000000 11 O 3.985999 2.379234 2.547839 1.430153 2.035263 12 C 4.326699 3.242939 3.594102 2.345202 3.147910 13 H 5.217386 4.157611 4.498353 3.003982 3.558071 14 C 5.020793 3.884996 3.954938 3.488444 4.363985 15 C 2.833331 2.599148 3.508513 1.529490 2.149560 16 H 2.219838 2.785561 3.833562 2.190944 2.696025 17 C 3.407513 3.125435 3.864941 2.353740 3.272657 18 H 2.922023 2.951303 3.683675 2.734425 3.774761 19 H 4.186626 4.180684 4.947420 3.318173 4.118582 20 O 4.127333 3.790625 4.584638 2.415417 2.526765 21 H 5.615289 4.780001 4.955057 4.338821 5.243079 22 H 4.511405 3.446049 3.438949 3.493220 4.455966 23 H 5.825414 4.391269 4.227023 3.971813 4.682562 24 P 4.773929 4.762016 5.596171 3.530208 3.233010 25 O 6.201142 6.004535 6.743933 4.627782 4.261143 26 O 4.416383 4.368489 5.140320 3.404626 2.810598 27 O 4.704778 5.351268 6.339112 4.376096 4.370824 28 H 5.458276 6.053293 7.025309 4.982421 5.029660 29 H 3.499922 3.789009 3.831238 5.103509 5.225774 11 12 13 14 15 11 O 0.000000 12 C 1.409683 0.000000 13 H 2.027564 1.086675 0.000000 14 C 2.396752 1.521768 2.142755 0.000000 15 C 2.330904 2.370313 2.833346 3.714323 0.000000 16 H 3.279364 3.341483 3.868345 4.548220 1.079184 17 C 2.347634 1.532719 2.151731 2.571246 1.523731 18 H 2.851503 2.168707 3.023344 2.657139 2.154246 19 H 3.254280 2.193853 2.378148 3.109760 2.175007 20 O 2.895929 2.863089 2.781959 4.368979 1.405860 21 H 3.343141 2.163049 2.490323 1.089137 4.241062 22 H 2.667743 2.154235 3.045168 1.084653 3.872914 23 H 2.652512 2.157146 2.478356 1.086492 4.455354 24 P 4.307670 4.484947 4.349287 5.995296 2.662865 25 O 5.083166 5.132395 4.684499 6.628758 3.817617 26 O 4.477105 5.045339 5.122055 6.510520 3.037648 27 O 5.261964 5.150797 5.131233 6.554310 3.113716 28 H 5.683077 5.381268 5.209177 6.754655 3.629523 29 H 6.131200 7.001333 7.936997 7.430539 5.867437 16 17 18 19 20 16 H 0.000000 17 C 2.192996 0.000000 18 H 2.444300 1.084915 0.000000 19 H 2.682283 1.083557 1.767920 0.000000 20 O 2.055254 2.356191 3.290793 2.518134 0.000000 21 H 5.012144 2.857775 2.903137 3.036877 4.793999 22 H 4.532893 2.812314 2.490691 3.525576 4.813470 23 H 5.372133 3.502523 3.692680 4.040509 4.959078 24 P 2.745545 3.876611 4.688039 3.925499 1.635922 25 O 4.099362 4.760581 5.711396 4.600866 2.484979 26 O 2.915737 4.514379 5.150145 4.854874 2.535278 27 O 2.725001 4.094089 4.700673 3.890127 2.513795 28 H 3.393991 4.353474 5.031567 3.921125 2.840295 29 H 5.426511 6.587077 6.100125 7.524941 7.003899 21 22 23 24 25 21 H 0.000000 22 H 1.766665 0.000000 23 H 1.762314 1.758818 0.000000 24 P 6.423742 6.389609 6.552394 0.000000 25 O 6.958201 7.212374 7.064266 1.475596 0.000000 26 O 7.120782 6.730128 7.012649 1.469724 2.608752 27 O 6.802177 6.849121 7.305294 1.645520 2.506029 28 H 6.873564 7.155795 7.501910 2.120157 2.439308 29 H 8.257398 6.697023 7.909464 7.356854 8.767561 26 27 28 29 26 O 0.000000 27 O 2.514633 0.000000 28 H 3.276630 0.947095 0.000000 29 H 6.398644 7.592370 8.479134 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.715765 -0.662847 0.138611 2 8 0 -4.203143 -0.357809 1.500308 3 8 0 -4.271909 -0.031708 -1.084582 4 8 0 -3.859596 -2.295749 -0.076799 5 6 0 -1.897856 -0.485218 0.129024 6 1 0 -1.372265 -0.992173 0.923822 7 6 0 -1.241199 0.242657 -0.759341 8 1 0 -1.816160 0.728164 -1.530935 9 6 0 0.243000 0.530952 -0.864118 10 1 0 0.672484 -0.010234 -1.695325 11 8 0 0.396933 1.926805 -1.134744 12 6 0 0.813659 2.629248 0.014220 13 1 0 1.825399 2.985402 -0.160131 14 6 0 -0.105969 3.819027 0.247646 15 6 0 1.089325 0.305157 0.389712 16 1 0 0.809443 -0.582672 0.935665 17 6 0 0.828174 1.599779 1.149653 18 1 0 -0.137821 1.557153 1.641669 19 1 0 1.596194 1.798326 1.887772 20 8 0 2.457765 0.285898 0.068086 21 1 0 0.214649 4.390733 1.117459 22 1 0 -1.124632 3.482816 0.408150 23 1 0 -0.098518 4.480174 -0.614499 24 15 0 3.280997 -1.113006 -0.135870 25 8 0 4.675442 -0.723239 -0.420456 26 8 0 2.483797 -2.030430 -0.962244 27 8 0 3.255878 -1.686866 1.406138 28 1 0 3.997897 -1.300973 1.850531 29 1 0 -3.901292 -2.443751 -1.011740 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5803607 0.1937122 0.1619840 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.3324627339 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.80D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 -0.000000 Rot= 1.000000 -0.000211 -0.000035 0.000176 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) = -1552.57168819 A.U. after 8 cycles NFock= 8 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 15 0.000036709 -0.000071459 0.000022242 2 8 -0.000002675 0.000005482 -0.000003447 3 8 0.000008347 -0.000008163 0.000002362 4 8 -0.000048543 0.000065483 -0.000033685 5 6 0.000006207 0.000035315 -0.000007669 6 1 0.000017597 -0.000019987 0.000005161 7 6 -0.000016524 -0.000017619 0.000028425 8 1 -0.000002264 0.000006643 -0.000012450 9 6 0.000003061 0.000010557 -0.000022623 10 1 0.000000234 -0.000002844 0.000001993 11 8 0.000010235 -0.000000198 0.000006897 12 6 0.000006453 -0.000001873 0.000002337 13 1 -0.000003312 0.000000891 0.000000705 14 6 -0.000002178 -0.000001449 0.000001023 15 6 -0.000019689 0.000001687 0.000018572 16 1 0.000004489 0.000002151 -0.000001082 17 6 -0.000015843 -0.000009177 0.000006411 18 1 -0.000000347 -0.000002766 -0.000001795 19 1 -0.000002600 -0.000001119 -0.000002434 20 8 0.000053045 -0.000039298 -0.000050447 21 1 -0.000000530 0.000002689 0.000000190 22 1 0.000000198 -0.000002193 -0.000000929 23 1 0.000000088 -0.000002884 -0.000000629 24 15 -0.000065340 0.000043618 0.000078481 25 8 -0.000008357 -0.000004729 -0.000027648 26 8 0.000016801 0.000004110 0.000001061 27 8 0.000025431 -0.000005889 -0.000027365 28 1 -0.000002454 0.000013049 0.000009086 29 1 0.000001761 -0.000000029 0.000007256 ------------------------------------------------------------------- Cartesian Forces: Max 0.000078481 RMS 0.000022176 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000084573 RMS 0.000011229 Search for a local minimum. Step number 30 out of a maximum of 161 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 19 20 21 22 23 24 25 26 27 28 29 30 DE= -2.06D-07 DEPred=-1.32D-07 R= 1.56D+00 Trust test= 1.56D+00 RLast= 7.85D-03 DXMaxT set to 7.61D-01 ITU= 0 0 0 1 1 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00089 0.00222 0.00239 0.00308 0.00332 Eigenvalues --- 0.00588 0.00857 0.01159 0.02415 0.03097 Eigenvalues --- 0.03214 0.03476 0.04255 0.04453 0.04625 Eigenvalues --- 0.05235 0.05378 0.05498 0.05557 0.05578 Eigenvalues --- 0.06023 0.06550 0.06788 0.07756 0.08105 Eigenvalues --- 0.08329 0.08721 0.12266 0.13526 0.14507 Eigenvalues --- 0.15295 0.15728 0.15859 0.16000 0.16057 Eigenvalues --- 0.16113 0.16130 0.16280 0.16851 0.17346 Eigenvalues --- 0.18337 0.19926 0.20312 0.20878 0.21251 Eigenvalues --- 0.21902 0.22454 0.24106 0.25234 0.26345 Eigenvalues --- 0.26643 0.28133 0.28430 0.29622 0.29887 Eigenvalues --- 0.30865 0.32764 0.33504 0.33567 0.33636 Eigenvalues --- 0.33824 0.34467 0.34519 0.34676 0.35818 Eigenvalues --- 0.36236 0.37745 0.39108 0.42657 0.44898 Eigenvalues --- 0.46030 0.48395 0.54587 0.55933 0.59636 Eigenvalues --- 0.59733 0.63233 0.67568 0.70001 0.99520 Eigenvalues --- 1.02159 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 30 29 28 27 26 25 24 23 22 21 RFO step: Lambda=-2.15249934D-07. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. RFO-DIIS uses 5 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.04437 0.54941 -0.46788 -0.28812 0.16222 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00138584 RMS(Int)= 0.00000066 Iteration 2 RMS(Cart)= 0.00000099 RMS(Int)= 0.00000003 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79322 -0.00000 0.00002 -0.00002 -0.00000 2.79322 R2 2.80536 0.00000 0.00002 -0.00001 0.00002 2.80537 R3 3.12432 0.00008 -0.00041 0.00028 -0.00013 3.12418 R4 3.45176 0.00001 -0.00003 0.00005 0.00002 3.45178 R5 1.79052 0.00000 -0.00001 0.00000 -0.00001 1.79051 R6 2.03964 -0.00000 0.00004 -0.00002 0.00001 2.03965 R7 2.50001 0.00001 -0.00003 0.00003 -0.00000 2.50001 R8 2.03675 -0.00001 0.00001 -0.00002 -0.00001 2.03674 R9 2.86400 -0.00001 -0.00006 0.00001 -0.00005 2.86395 R10 2.04252 -0.00000 -0.00003 0.00000 -0.00002 2.04249 R11 2.70260 0.00001 0.00013 -0.00002 0.00011 2.70271 R12 2.89032 -0.00001 -0.00000 0.00003 0.00003 2.89034 R13 2.66391 -0.00001 -0.00007 0.00002 -0.00005 2.66386 R14 2.05352 -0.00000 0.00001 -0.00000 0.00001 2.05353 R15 2.87572 0.00000 -0.00001 -0.00000 -0.00002 2.87571 R16 2.89642 -0.00000 -0.00005 -0.00001 -0.00006 2.89636 R17 2.05817 -0.00000 -0.00001 0.00000 -0.00001 2.05816 R18 2.04970 0.00000 0.00001 0.00000 0.00001 2.04970 R19 2.05317 0.00000 -0.00001 -0.00000 -0.00001 2.05316 R20 2.03936 0.00000 0.00002 -0.00001 0.00001 2.03937 R21 2.87943 0.00000 0.00004 -0.00001 0.00002 2.87946 R22 2.65669 -0.00000 0.00009 -0.00005 0.00004 2.65673 R23 2.05019 0.00000 -0.00000 0.00001 0.00000 2.05020 R24 2.04763 -0.00000 -0.00000 0.00000 -0.00000 2.04763 R25 3.09144 0.00006 -0.00022 0.00017 -0.00006 3.09139 R26 2.78847 -0.00003 0.00008 -0.00005 0.00003 2.78850 R27 2.77738 -0.00002 0.00005 -0.00003 0.00002 2.77739 R28 3.10958 0.00003 -0.00012 0.00011 -0.00001 3.10957 R29 1.78975 0.00000 -0.00001 0.00000 -0.00001 1.78974 A1 2.15053 -0.00000 -0.00002 0.00003 0.00001 2.15054 A2 1.87043 -0.00000 -0.00002 -0.00002 -0.00004 1.87038 A3 1.88907 0.00001 -0.00003 0.00004 0.00002 1.88909 A4 1.85454 0.00000 0.00012 -0.00005 0.00006 1.85460 A5 1.90411 -0.00001 -0.00001 -0.00003 -0.00004 1.90407 A6 1.75376 0.00000 -0.00004 0.00003 -0.00001 1.75375 A7 1.86154 -0.00001 0.00026 -0.00013 0.00013 1.86167 A8 2.02095 0.00002 -0.00014 0.00014 0.00000 2.02095 A9 2.15439 -0.00002 0.00020 -0.00017 0.00004 2.15443 A10 2.10737 0.00000 -0.00005 0.00002 -0.00003 2.10734 A11 2.05305 -0.00000 0.00009 -0.00007 0.00002 2.05307 A12 2.26161 -0.00002 0.00003 -0.00008 -0.00005 2.26156 A13 1.96843 0.00002 -0.00012 0.00015 0.00003 1.96846 A14 1.92522 0.00000 0.00009 0.00001 0.00010 1.92533 A15 1.87984 0.00000 -0.00010 0.00002 -0.00008 1.87976 A16 2.04556 -0.00001 -0.00017 0.00004 -0.00013 2.04543 A17 1.87591 -0.00000 0.00011 -0.00004 0.00007 1.87598 A18 1.91414 0.00000 0.00001 -0.00001 -0.00000 1.91414 A19 1.81280 0.00000 0.00008 -0.00003 0.00005 1.81285 A20 1.94329 0.00000 0.00006 -0.00002 0.00004 1.94333 A21 1.88365 0.00000 0.00015 -0.00003 0.00013 1.88378 A22 1.91343 0.00000 -0.00013 0.00003 -0.00009 1.91333 A23 1.84616 -0.00000 -0.00006 0.00001 -0.00005 1.84611 A24 1.90817 -0.00000 -0.00000 0.00000 -0.00000 1.90817 A25 1.90729 0.00000 -0.00014 0.00003 -0.00011 1.90718 A26 2.00118 0.00000 0.00017 -0.00004 0.00013 2.00131 A27 1.93372 -0.00000 0.00007 -0.00002 0.00005 1.93376 A28 1.92613 0.00000 -0.00003 0.00003 -0.00000 1.92612 A29 1.92826 0.00000 -0.00007 0.00001 -0.00006 1.92820 A30 1.89758 0.00000 0.00002 -0.00001 0.00002 1.89760 A31 1.88839 0.00000 0.00002 -0.00000 0.00001 1.88840 A32 1.88860 -0.00000 -0.00001 0.00000 -0.00001 1.88859 A33 1.97432 -0.00000 -0.00003 0.00001 -0.00002 1.97430 A34 1.76052 -0.00001 0.00003 -0.00002 0.00001 1.76053 A35 1.93167 0.00000 0.00013 0.00001 0.00014 1.93181 A36 1.98475 0.00001 -0.00007 0.00002 -0.00005 1.98470 A37 1.93575 -0.00000 -0.00000 -0.00001 -0.00001 1.93574 A38 1.86771 0.00000 -0.00006 -0.00001 -0.00007 1.86763 A39 1.77504 0.00001 -0.00003 -0.00004 -0.00007 1.77498 A40 1.93255 -0.00000 0.00001 -0.00000 0.00001 1.93256 A41 1.96955 -0.00000 0.00002 0.00001 0.00003 1.96958 A42 1.92346 0.00000 -0.00007 0.00003 -0.00004 1.92342 A43 1.95405 -0.00000 0.00000 0.00002 0.00002 1.95407 A44 1.90644 0.00000 0.00006 -0.00001 0.00004 1.90648 A45 2.12947 0.00002 0.00003 0.00000 0.00003 2.12950 A46 1.84806 0.00001 -0.00002 0.00002 -0.00000 1.84805 A47 1.90808 0.00001 -0.00003 0.00003 -0.00001 1.90807 A48 1.74538 -0.00001 0.00000 0.00000 0.00000 1.74539 A49 2.17612 0.00000 -0.00000 0.00000 0.00000 2.17612 A50 1.86217 -0.00001 0.00004 -0.00005 -0.00002 1.86216 A51 1.87646 -0.00000 0.00002 -0.00000 0.00002 1.87648 A52 1.86048 -0.00001 0.00008 -0.00008 0.00000 1.86048 D1 2.73894 0.00000 0.00126 -0.00037 0.00089 2.73983 D2 0.41036 0.00000 0.00121 -0.00035 0.00086 0.41122 D3 -1.57255 0.00001 0.00120 -0.00031 0.00089 -1.57166 D4 0.86138 -0.00001 -0.00028 -0.00036 -0.00065 0.86073 D5 -2.24746 -0.00001 -0.00088 -0.00009 -0.00097 -2.24843 D6 -3.04079 -0.00002 -0.00034 -0.00031 -0.00066 -3.04145 D7 0.13356 -0.00001 -0.00094 -0.00004 -0.00098 0.13258 D8 -1.09599 -0.00001 -0.00023 -0.00037 -0.00060 -1.09659 D9 2.07836 -0.00001 -0.00083 -0.00010 -0.00093 2.07743 D10 -0.03285 -0.00000 0.00046 -0.00018 0.00028 -0.03257 D11 3.09339 -0.00000 0.00025 -0.00004 0.00021 3.09360 D12 -3.14012 0.00000 -0.00016 0.00010 -0.00006 -3.14019 D13 -0.01389 0.00000 -0.00037 0.00024 -0.00013 -0.01402 D14 1.87575 0.00000 -0.00128 0.00003 -0.00125 1.87450 D15 -2.36496 0.00000 -0.00116 -0.00000 -0.00116 -2.36612 D16 -0.33080 0.00000 -0.00124 0.00000 -0.00124 -0.33204 D17 -1.28060 0.00000 -0.00148 0.00016 -0.00132 -1.28192 D18 0.76188 0.00000 -0.00136 0.00013 -0.00123 0.76065 D19 2.79604 0.00000 -0.00144 0.00014 -0.00130 2.79473 D20 1.81815 -0.00001 0.00074 -0.00004 0.00070 1.81885 D21 -2.39072 -0.00000 0.00085 -0.00004 0.00081 -2.38991 D22 -0.36290 -0.00000 0.00095 -0.00008 0.00086 -0.36204 D23 0.70127 -0.00000 -0.00040 0.00010 -0.00030 0.70098 D24 -1.42498 -0.00000 -0.00032 0.00009 -0.00024 -1.42522 D25 2.88581 -0.00000 -0.00032 0.00011 -0.00022 2.88559 D26 -1.51071 0.00000 -0.00040 0.00007 -0.00034 -1.51104 D27 2.64622 -0.00000 -0.00032 0.00005 -0.00028 2.64595 D28 0.67382 0.00000 -0.00032 0.00007 -0.00026 0.67357 D29 2.77171 0.00000 -0.00057 0.00014 -0.00044 2.77127 D30 0.64545 0.00000 -0.00049 0.00012 -0.00038 0.64508 D31 -1.32695 0.00000 -0.00049 0.00014 -0.00036 -1.32730 D32 1.96265 -0.00000 -0.00113 0.00005 -0.00108 1.96157 D33 -2.24366 -0.00000 -0.00112 0.00006 -0.00106 -2.24472 D34 -0.07715 -0.00000 -0.00102 0.00003 -0.00099 -0.07815 D35 -3.11619 -0.00000 0.00008 -0.00001 0.00007 -3.11612 D36 1.06432 -0.00000 0.00003 -0.00001 0.00002 1.06434 D37 -1.02362 -0.00000 0.00010 -0.00003 0.00007 -1.02355 D38 -1.05450 -0.00000 0.00019 -0.00003 0.00016 -1.05433 D39 3.12601 0.00000 0.00013 -0.00002 0.00012 3.12612 D40 1.03807 -0.00000 0.00021 -0.00004 0.00017 1.03824 D41 1.09394 0.00000 0.00013 -0.00002 0.00011 1.09406 D42 -1.00874 0.00000 0.00008 -0.00001 0.00006 -1.00867 D43 -3.09667 0.00000 0.00015 -0.00003 0.00012 -3.09656 D44 0.48339 0.00000 0.00066 0.00005 0.00070 0.48410 D45 -1.56036 -0.00000 0.00075 0.00004 0.00079 -1.55958 D46 2.57971 0.00000 0.00065 0.00005 0.00070 2.58041 D47 -1.54040 0.00000 0.00057 0.00006 0.00064 -1.53976 D48 2.69903 0.00000 0.00067 0.00005 0.00072 2.69975 D49 0.55592 0.00000 0.00057 0.00006 0.00063 0.55655 D50 2.59387 0.00000 0.00056 0.00007 0.00063 2.59450 D51 0.55012 -0.00000 0.00066 0.00006 0.00071 0.55083 D52 -1.59299 0.00000 0.00056 0.00007 0.00063 -1.59237 D53 -0.67638 -0.00000 -0.00011 -0.00009 -0.00020 -0.67659 D54 1.37395 -0.00000 -0.00014 -0.00010 -0.00025 1.37370 D55 -2.78358 -0.00000 -0.00012 -0.00009 -0.00021 -2.78379 D56 -2.79530 0.00000 -0.00006 -0.00010 -0.00016 -2.79547 D57 -0.74497 0.00000 -0.00009 -0.00011 -0.00021 -0.74518 D58 1.38069 0.00000 -0.00007 -0.00010 -0.00017 1.38052 D59 1.34417 -0.00000 0.00003 -0.00009 -0.00006 1.34410 D60 -2.88869 -0.00000 -0.00000 -0.00010 -0.00011 -2.88880 D61 -0.76303 -0.00000 0.00002 -0.00009 -0.00007 -0.76310 D62 -1.71668 0.00001 0.00120 0.00026 0.00146 -1.71523 D63 0.48949 0.00002 0.00126 0.00027 0.00152 0.49101 D64 2.66337 0.00002 0.00113 0.00028 0.00141 2.66478 D65 -3.11411 -0.00000 -0.00054 -0.00004 -0.00058 -3.11469 D66 0.78471 -0.00002 -0.00050 -0.00008 -0.00058 0.78413 D67 -1.18202 -0.00001 -0.00051 -0.00009 -0.00060 -1.18262 D68 -1.50476 -0.00001 -0.00011 -0.00030 -0.00041 -1.50518 D69 0.41622 -0.00001 -0.00012 -0.00030 -0.00042 0.41581 D70 2.78734 -0.00001 -0.00008 -0.00033 -0.00041 2.78693 Item Value Threshold Converged? Maximum Force 0.000085 0.000450 YES RMS Force 0.000011 0.000300 YES Maximum Displacement 0.007000 0.001800 NO RMS Displacement 0.001386 0.001200 NO Predicted change in Energy=-8.147201D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.602148 1.775968 -0.638146 2 8 0 2.590554 1.440692 -1.684781 3 8 0 0.591823 0.811701 -0.134863 4 8 0 0.758923 3.095563 -1.168115 5 6 0 2.495591 2.500404 0.780806 6 1 0 3.192249 3.289944 0.543607 7 6 0 2.348071 2.080370 2.026600 8 1 0 1.639543 1.288369 2.206506 9 6 0 3.051874 2.536214 3.289027 10 1 0 2.378571 3.114184 3.906140 11 8 0 3.417383 1.368215 4.029083 12 6 0 4.796160 1.098380 3.913804 13 1 0 5.251153 1.259392 4.887424 14 6 0 5.000218 -0.350561 3.495854 15 6 0 4.371400 3.290977 3.120014 16 1 0 4.357413 3.990031 2.297957 17 6 0 5.341765 2.132782 2.923121 18 1 0 5.279386 1.760486 1.905992 19 1 0 6.364557 2.420441 3.135832 20 8 0 4.733761 3.931982 4.317640 21 1 0 6.061049 -0.587111 3.425895 22 1 0 4.538293 -0.533828 2.531739 23 1 0 4.549886 -1.022438 4.221276 24 15 0 4.431223 5.518429 4.578026 25 8 0 4.985732 5.821817 5.911408 26 8 0 3.058842 5.828027 4.152780 27 8 0 5.453963 6.188918 3.477041 28 1 0 6.296184 6.267636 3.903007 29 1 0 -0.069716 3.091018 -0.708674 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478107 0.000000 3 O 1.484540 2.606300 0.000000 4 O 1.653247 2.521986 2.512281 0.000000 5 C 1.826602 2.685354 2.704533 2.677410 0.000000 6 H 2.493409 2.957615 3.655711 2.981418 1.079337 7 C 2.783871 3.773902 3.060368 3.709746 1.322949 8 H 2.886381 4.008708 2.609011 3.928042 2.057783 9 C 4.254688 5.113879 4.555087 5.043472 2.569418 10 H 4.800437 5.839856 4.982329 5.326507 3.187183 11 O 5.024378 5.773833 5.062800 6.087858 3.561300 12 C 5.601883 6.027109 5.843829 6.790723 4.132066 13 H 6.641838 7.092640 6.865358 7.760232 5.098778 14 C 5.758382 5.987825 5.828113 7.184495 4.666116 15 C 4.907930 5.448030 5.570119 5.610368 3.100896 16 H 4.595026 5.048081 5.495458 5.075713 2.826149 17 C 5.176357 5.411184 5.801592 6.218328 3.581252 18 H 4.471572 4.497304 5.199858 5.627357 3.092416 19 H 6.110548 6.200106 6.827147 7.099498 4.530059 20 O 6.246216 6.843167 6.834954 6.825866 4.423575 21 H 6.479380 6.501948 6.674436 7.923355 5.407562 22 H 4.899416 5.046926 4.949327 6.414439 4.055239 23 H 6.335157 6.692347 6.164923 7.770127 5.335483 24 P 7.015564 7.696672 7.688017 7.237003 5.222454 25 O 8.409173 9.090282 8.998060 8.684355 6.599671 26 O 6.441592 7.317453 7.045110 6.408424 4.770800 27 O 7.158588 7.575565 8.099427 7.293129 5.443049 28 H 7.926609 8.261627 8.866305 8.151049 6.195538 29 H 2.128253 3.279238 2.441757 0.947497 3.024596 6 7 8 9 10 6 H 0.000000 7 C 2.091644 0.000000 8 H 3.030253 1.077797 0.000000 9 C 2.850464 1.515538 2.173396 0.000000 10 H 3.464042 2.145314 2.601638 1.080840 0.000000 11 O 3.986511 2.379187 2.547328 1.430211 2.035352 12 C 4.328246 3.243298 3.593771 2.345260 3.147739 13 H 5.218330 4.157667 4.497987 3.003660 3.557373 14 C 5.023723 3.886131 3.955079 3.488882 4.364153 15 C 2.833420 2.599034 3.508273 1.529503 2.149562 16 H 2.219340 2.785299 3.833296 2.190944 2.696141 17 C 3.409036 3.125492 3.864327 2.353773 3.272613 18 H 2.924290 2.951182 3.682616 2.734292 3.774628 19 H 4.187983 4.180694 4.946817 3.318244 4.118585 20 O 4.126960 3.790626 4.584732 2.415566 2.526865 21 H 5.618643 4.781180 4.955204 4.339242 5.243173 22 H 4.515056 3.447647 3.439321 3.494007 4.456610 23 H 5.827955 4.392267 4.227200 3.972044 4.682474 24 P 4.772603 4.761255 5.595623 3.529551 3.231904 25 O 6.200020 6.003949 6.743548 4.627296 4.260242 26 O 4.414271 4.367008 5.139152 3.403255 2.808654 27 O 4.703662 5.350748 6.338726 4.375800 4.369914 28 H 5.457713 6.053239 7.025349 4.982573 5.029112 29 H 3.499743 3.787985 3.830064 5.102328 5.224094 11 12 13 14 15 11 O 0.000000 12 C 1.409654 0.000000 13 H 2.027635 1.086682 0.000000 14 C 2.396642 1.521760 2.142751 0.000000 15 C 2.331002 2.370233 2.832850 3.714494 0.000000 16 H 3.279386 3.341423 3.867880 4.548504 1.079189 17 C 2.347544 1.532687 2.151629 2.571317 1.523743 18 H 2.851043 2.168687 3.023380 2.657464 2.154226 19 H 3.254368 2.193846 2.378188 3.109581 2.175031 20 O 2.896381 2.862915 2.781202 4.368811 1.405882 21 H 3.343068 2.163072 2.490295 1.089133 4.241231 22 H 2.667629 2.154229 3.045170 1.084656 3.873378 23 H 2.652305 2.157095 2.478362 1.086487 4.455355 24 P 4.307376 4.484552 4.348265 5.994989 2.662878 25 O 5.083054 5.131980 4.683451 6.628225 3.817648 26 O 4.475911 5.044298 5.120386 6.509642 3.037439 27 O 5.262280 5.151412 5.131329 6.555229 3.114077 28 H 5.683988 5.382509 5.209960 6.756171 3.630203 29 H 6.129785 7.001047 7.936171 7.431471 5.867056 16 17 18 19 20 16 H 0.000000 17 C 2.192978 0.000000 18 H 2.444287 1.084918 0.000000 19 H 2.682214 1.083557 1.767949 0.000000 20 O 2.055268 2.356157 3.290768 2.518119 0.000000 21 H 5.012469 2.857966 2.903844 3.036713 4.793653 22 H 4.533505 2.812394 2.490914 3.525320 4.813639 23 H 5.372248 3.502527 3.692881 4.040376 4.958768 24 P 2.745936 3.876906 4.688420 3.926224 1.635892 25 O 4.099665 4.760840 5.711742 4.601558 2.484967 26 O 2.916313 4.514270 5.150122 4.855263 2.535255 27 O 2.725393 4.095321 4.702094 3.891917 2.513773 28 H 3.394482 4.355240 5.033523 3.923537 2.840487 29 H 5.426558 6.587282 6.100794 7.525275 7.003175 21 22 23 24 25 21 H 0.000000 22 H 1.766675 0.000000 23 H 1.762315 1.758809 0.000000 24 P 6.423500 6.389724 6.551663 0.000000 25 O 6.957618 7.212253 7.063309 1.475612 0.000000 26 O 7.120084 6.729766 7.011189 1.469734 2.608777 27 O 6.803362 6.850355 7.305813 1.645515 2.506022 28 H 6.875354 7.157547 7.503069 2.120151 2.439203 29 H 8.258909 6.698771 7.909845 7.355269 8.765860 26 27 28 29 26 O 0.000000 27 O 2.514651 0.000000 28 H 3.276588 0.947090 0.000000 29 H 6.396313 7.591326 8.478396 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.715668 -0.662709 0.138768 2 8 0 -4.202684 -0.360127 1.501142 3 8 0 -4.272000 -0.029225 -1.083137 4 8 0 -3.859720 -2.295137 -0.079531 5 6 0 -1.897731 -0.485269 0.129040 6 1 0 -1.372036 -0.993236 0.923132 7 6 0 -1.241097 0.243299 -0.758774 8 1 0 -1.816105 0.729780 -1.529714 9 6 0 0.243140 0.531246 -0.863572 10 1 0 0.672629 -0.010179 -1.694603 11 8 0 0.397276 1.927093 -1.134412 12 6 0 0.814968 2.629540 0.014164 13 1 0 1.827097 2.984520 -0.160368 14 6 0 -0.103351 3.820414 0.247109 15 6 0 1.089228 0.305491 0.390442 16 1 0 0.808831 -0.582008 0.936678 17 6 0 0.828576 1.600486 1.149942 18 1 0 -0.137609 1.558510 1.641645 19 1 0 1.596485 1.798837 1.888230 20 8 0 2.457764 0.285510 0.069174 21 1 0 0.217974 4.392264 1.116563 22 1 0 -1.122357 3.485373 0.407900 23 1 0 -0.095295 4.481057 -0.615410 24 15 0 3.279984 -1.113764 -0.136077 25 8 0 4.674647 -0.724715 -0.420654 26 8 0 2.481971 -2.029983 -0.963020 27 8 0 3.254834 -1.688834 1.405475 28 1 0 3.997425 -1.304091 1.849898 29 1 0 -3.900872 -2.441643 -1.014728 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5801268 0.1937600 0.1619967 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.3429621859 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.80D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 -0.000000 0.000000 Rot= 1.000000 -0.000152 -0.000013 0.000123 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) = -1552.57168828 A.U. after 8 cycles NFock= 8 Conv=0.40D-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 15 0.000050619 -0.000105576 0.000041656 2 8 -0.000003160 0.000001143 -0.000003744 3 8 0.000012566 -0.000000482 -0.000001928 4 8 -0.000063316 0.000098374 -0.000049281 5 6 0.000000501 0.000052852 -0.000009112 6 1 0.000014227 -0.000027405 0.000002540 7 6 -0.000013247 -0.000033119 0.000013827 8 1 -0.000005426 0.000008057 -0.000011745 9 6 0.000021017 -0.000003328 -0.000010131 10 1 -0.000004229 -0.000004907 0.000004269 11 8 -0.000000569 0.000026348 0.000010666 12 6 0.000016833 -0.000001272 0.000003714 13 1 -0.000009575 -0.000003814 0.000002610 14 6 -0.000002652 0.000001751 -0.000002948 15 6 -0.000002290 0.000002578 0.000025817 16 1 0.000004022 0.000004314 0.000006482 17 6 -0.000025379 -0.000005337 0.000002571 18 1 0.000001372 -0.000003981 -0.000002493 19 1 -0.000001990 -0.000001860 -0.000003456 20 8 0.000040179 -0.000063580 -0.000061977 21 1 0.000001293 0.000003641 0.000000082 22 1 0.000000982 -0.000001969 -0.000001175 23 1 0.000001039 -0.000006611 -0.000000371 24 15 -0.000064357 0.000062582 0.000090433 25 8 -0.000015220 -0.000005706 -0.000043659 26 8 0.000026410 0.000003555 0.000007300 27 8 0.000019703 -0.000001922 -0.000029536 28 1 0.000001359 0.000010570 0.000011152 29 1 -0.000000711 -0.000004894 0.000008440 ------------------------------------------------------------------- Cartesian Forces: Max 0.000105576 RMS 0.000028556 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000120364 RMS 0.000014598 Search for a local minimum. Step number 31 out of a maximum of 161 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 19 20 21 22 23 24 25 26 27 28 29 30 31 DE= -8.59D-08 DEPred=-8.15D-08 R= 1.05D+00 Trust test= 1.05D+00 RLast= 5.89D-03 DXMaxT set to 7.61D-01 ITU= 0 0 0 0 1 1 1 1 -1 1 1 1 1 1 1 1 1 1 1 1 ITU= 1 1 1 1 1 1 1 1 0 1 0 Eigenvalues --- 0.00091 0.00217 0.00237 0.00311 0.00328 Eigenvalues --- 0.00610 0.00754 0.01161 0.02412 0.03100 Eigenvalues --- 0.03216 0.03476 0.04202 0.04416 0.04624 Eigenvalues --- 0.05243 0.05397 0.05499 0.05562 0.05583 Eigenvalues --- 0.06027 0.06559 0.06794 0.07761 0.08132 Eigenvalues --- 0.08372 0.08722 0.12283 0.13529 0.14377 Eigenvalues --- 0.15278 0.15678 0.15869 0.15997 0.16029 Eigenvalues --- 0.16123 0.16128 0.16383 0.16820 0.17362 Eigenvalues --- 0.18231 0.19946 0.20255 0.20850 0.21240 Eigenvalues --- 0.21609 0.22470 0.23916 0.25329 0.26377 Eigenvalues --- 0.26603 0.28171 0.28454 0.29475 0.29908 Eigenvalues --- 0.31009 0.33194 0.33504 0.33571 0.33638 Eigenvalues --- 0.33853 0.34490 0.34520 0.34805 0.35881 Eigenvalues --- 0.36226 0.37788 0.39129 0.42098 0.43876 Eigenvalues --- 0.46020 0.48438 0.53123 0.55028 0.56733 Eigenvalues --- 0.59647 0.62497 0.67771 0.70283 0.99559 Eigenvalues --- 1.01886 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 31 30 29 28 27 26 25 24 23 22 RFO step: Lambda=-1.59782124D-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: 2.17207 -2.00000 0.82793 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00101547 RMS(Int)= 0.00000049 Iteration 2 RMS(Cart)= 0.00000102 RMS(Int)= 0.00000006 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000006 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79322 0.00000 0.00001 -0.00001 -0.00000 2.79322 R2 2.80537 -0.00001 0.00001 -0.00001 0.00000 2.80538 R3 3.12418 0.00012 0.00001 0.00013 0.00013 3.12432 R4 3.45178 0.00001 -0.00002 0.00004 0.00002 3.45180 R5 1.79051 0.00000 0.00000 0.00000 0.00000 1.79051 R6 2.03965 -0.00001 0.00000 -0.00001 -0.00001 2.03964 R7 2.50001 0.00002 0.00001 0.00002 0.00002 2.50003 R8 2.03674 -0.00000 -0.00000 -0.00001 -0.00001 2.03673 R9 2.86395 0.00001 -0.00002 -0.00003 -0.00005 2.86390 R10 2.04249 0.00000 -0.00001 -0.00002 -0.00002 2.04247 R11 2.70271 -0.00001 0.00007 0.00000 0.00007 2.70278 R12 2.89034 -0.00000 -0.00002 0.00004 0.00002 2.89037 R13 2.66386 -0.00000 -0.00004 0.00001 -0.00003 2.66383 R14 2.05353 -0.00000 -0.00001 0.00001 0.00001 2.05354 R15 2.87571 0.00000 0.00000 -0.00001 -0.00001 2.87570 R16 2.89636 -0.00000 0.00000 -0.00005 -0.00004 2.89632 R17 2.05816 0.00000 -0.00001 0.00000 -0.00000 2.05816 R18 2.04970 0.00000 0.00000 -0.00000 0.00000 2.04971 R19 2.05316 0.00000 0.00000 -0.00000 -0.00000 2.05316 R20 2.03937 -0.00000 0.00002 -0.00001 0.00001 2.03938 R21 2.87946 -0.00000 0.00003 -0.00002 0.00001 2.87947 R22 2.65673 -0.00002 0.00002 -0.00002 -0.00000 2.65673 R23 2.05020 0.00000 0.00000 -0.00000 -0.00000 2.05020 R24 2.04763 -0.00000 -0.00001 0.00001 0.00000 2.04763 R25 3.09139 0.00008 0.00001 0.00009 0.00010 3.09149 R26 2.78850 -0.00005 0.00000 -0.00002 -0.00002 2.78848 R27 2.77739 -0.00003 0.00000 -0.00001 -0.00001 2.77739 R28 3.10957 0.00003 -0.00001 0.00007 0.00007 3.10964 R29 1.78974 0.00001 -0.00000 -0.00000 -0.00000 1.78974 A1 2.15054 -0.00000 -0.00003 0.00003 0.00000 2.15054 A2 1.87038 -0.00000 0.00004 -0.00007 -0.00003 1.87035 A3 1.88909 0.00001 -0.00001 0.00004 0.00003 1.88912 A4 1.85460 0.00000 0.00001 0.00001 0.00001 1.85462 A5 1.90407 -0.00001 0.00000 -0.00003 -0.00003 1.90404 A6 1.75375 0.00001 0.00000 0.00001 0.00001 1.75377 A7 1.86167 -0.00001 -0.00000 -0.00001 -0.00002 1.86166 A8 2.02095 0.00002 -0.00001 0.00006 0.00006 2.02101 A9 2.15443 -0.00003 0.00001 -0.00007 -0.00005 2.15438 A10 2.10734 0.00001 -0.00001 0.00000 -0.00001 2.10733 A11 2.05307 -0.00001 0.00002 -0.00007 -0.00005 2.05302 A12 2.26156 -0.00001 -0.00001 -0.00003 -0.00004 2.26153 A13 1.96846 0.00002 -0.00001 0.00010 0.00009 1.96855 A14 1.92533 0.00000 0.00000 0.00002 0.00002 1.92535 A15 1.87976 0.00000 0.00000 -0.00005 -0.00004 1.87972 A16 2.04543 -0.00000 -0.00008 0.00006 -0.00002 2.04541 A17 1.87598 -0.00001 0.00005 -0.00006 -0.00000 1.87597 A18 1.91414 -0.00000 0.00001 0.00002 0.00003 1.91417 A19 1.81285 0.00000 0.00002 -0.00001 0.00001 1.81286 A20 1.94333 0.00000 0.00002 -0.00001 0.00001 1.94333 A21 1.88378 -0.00000 0.00001 0.00003 0.00004 1.88382 A22 1.91333 0.00001 -0.00002 0.00001 -0.00002 1.91332 A23 1.84611 -0.00001 -0.00006 0.00004 -0.00001 1.84610 A24 1.90817 -0.00000 0.00002 -0.00003 -0.00001 1.90816 A25 1.90718 0.00001 -0.00001 -0.00004 -0.00005 1.90713 A26 2.00131 -0.00001 0.00005 -0.00000 0.00005 2.00136 A27 1.93376 -0.00001 -0.00002 0.00004 0.00002 1.93378 A28 1.92612 0.00000 0.00000 -0.00000 0.00000 1.92612 A29 1.92820 0.00001 0.00002 -0.00004 -0.00002 1.92818 A30 1.89760 0.00000 0.00000 0.00001 0.00001 1.89760 A31 1.88840 -0.00000 0.00000 0.00000 0.00001 1.88841 A32 1.88859 -0.00000 -0.00001 -0.00000 -0.00001 1.88858 A33 1.97430 0.00000 0.00000 0.00001 0.00001 1.97431 A34 1.76053 -0.00001 -0.00007 0.00006 -0.00000 1.76053 A35 1.93181 0.00000 0.00005 0.00013 0.00018 1.93199 A36 1.98470 0.00001 0.00001 -0.00002 -0.00001 1.98469 A37 1.93574 -0.00000 -0.00001 -0.00007 -0.00008 1.93566 A38 1.86763 0.00000 0.00001 -0.00010 -0.00009 1.86755 A39 1.77498 0.00001 0.00006 -0.00011 -0.00005 1.77493 A40 1.93256 -0.00000 -0.00003 0.00003 0.00000 1.93256 A41 1.96958 -0.00000 -0.00001 0.00003 0.00002 1.96960 A42 1.92342 0.00000 -0.00001 -0.00001 -0.00002 1.92340 A43 1.95407 -0.00000 -0.00001 0.00004 0.00003 1.95410 A44 1.90648 -0.00000 0.00000 0.00001 0.00002 1.90650 A45 2.12950 0.00003 0.00009 0.00002 0.00011 2.12961 A46 1.84805 0.00001 -0.00001 0.00001 -0.00000 1.84805 A47 1.90807 0.00001 0.00000 0.00003 0.00003 1.90810 A48 1.74539 -0.00001 -0.00010 0.00008 -0.00002 1.74537 A49 2.17612 -0.00000 0.00004 -0.00005 -0.00001 2.17611 A50 1.86216 -0.00001 0.00002 -0.00005 -0.00003 1.86213 A51 1.87648 -0.00000 0.00001 0.00001 0.00003 1.87650 A52 1.86048 -0.00001 0.00001 -0.00005 -0.00004 1.86044 D1 2.73983 -0.00000 -0.00012 0.00048 0.00035 2.74018 D2 0.41122 0.00000 -0.00011 0.00048 0.00036 0.41158 D3 -1.57166 0.00001 -0.00012 0.00050 0.00038 -1.57128 D4 0.86073 -0.00001 0.00012 -0.00075 -0.00063 0.86010 D5 -2.24843 0.00000 0.00014 -0.00070 -0.00056 -2.24899 D6 -3.04145 -0.00002 0.00007 -0.00070 -0.00063 -3.04207 D7 0.13258 -0.00001 0.00009 -0.00065 -0.00055 0.13202 D8 -1.09659 -0.00001 0.00008 -0.00069 -0.00061 -1.09721 D9 2.07743 -0.00000 0.00010 -0.00064 -0.00054 2.07689 D10 -0.03257 -0.00001 -0.00004 0.00004 -0.00000 -0.03257 D11 3.09360 -0.00000 -0.00007 0.00004 -0.00003 3.09356 D12 -3.14019 0.00001 -0.00002 0.00009 0.00007 -3.14011 D13 -0.01402 0.00001 -0.00005 0.00009 0.00004 -0.01398 D14 1.87450 0.00000 0.00010 0.00041 0.00051 1.87500 D15 -2.36612 -0.00000 0.00016 0.00033 0.00049 -2.36562 D16 -0.33204 0.00000 0.00014 0.00032 0.00046 -0.33158 D17 -1.28192 0.00001 0.00007 0.00041 0.00048 -1.28144 D18 0.76065 0.00000 0.00013 0.00033 0.00046 0.76112 D19 2.79473 0.00001 0.00011 0.00032 0.00043 2.79516 D20 1.81885 -0.00000 -0.00005 0.00042 0.00037 1.81922 D21 -2.38991 -0.00000 -0.00002 0.00039 0.00038 -2.38953 D22 -0.36204 -0.00001 0.00003 0.00038 0.00042 -0.36162 D23 0.70098 0.00000 -0.00001 -0.00008 -0.00010 0.70088 D24 -1.42522 -0.00000 0.00001 -0.00010 -0.00008 -1.42530 D25 2.88559 0.00000 0.00002 -0.00007 -0.00005 2.88554 D26 -1.51104 0.00000 0.00003 -0.00017 -0.00014 -1.51118 D27 2.64595 -0.00000 0.00006 -0.00019 -0.00013 2.64582 D28 0.67357 0.00000 0.00007 -0.00016 -0.00009 0.67347 D29 2.77127 0.00001 -0.00004 -0.00011 -0.00016 2.77112 D30 0.64508 0.00000 -0.00001 -0.00013 -0.00014 0.64493 D31 -1.32730 0.00000 -0.00001 -0.00010 -0.00011 -1.32741 D32 1.96157 0.00001 -0.00010 -0.00046 -0.00056 1.96101 D33 -2.24472 0.00001 -0.00008 -0.00047 -0.00055 -2.24528 D34 -0.07815 0.00000 -0.00007 -0.00045 -0.00052 -0.07866 D35 -3.11612 -0.00000 -0.00004 0.00009 0.00005 -3.11607 D36 1.06434 -0.00000 -0.00003 0.00006 0.00003 1.06437 D37 -1.02355 -0.00000 -0.00004 0.00009 0.00005 -1.02350 D38 -1.05433 -0.00000 -0.00002 0.00011 0.00009 -1.05425 D39 3.12612 0.00000 -0.00001 0.00008 0.00007 3.12619 D40 1.03824 -0.00000 -0.00002 0.00011 0.00009 1.03833 D41 1.09406 0.00000 0.00002 0.00003 0.00005 1.09410 D42 -1.00867 0.00001 0.00003 -0.00000 0.00003 -1.00864 D43 -3.09656 0.00000 0.00002 0.00003 0.00005 -3.09651 D44 0.48410 0.00000 0.00008 0.00032 0.00040 0.48450 D45 -1.55958 -0.00000 0.00007 0.00038 0.00045 -1.55913 D46 2.58041 0.00000 0.00010 0.00031 0.00041 2.58083 D47 -1.53976 0.00001 0.00010 0.00028 0.00038 -1.53938 D48 2.69975 0.00000 0.00009 0.00034 0.00043 2.70018 D49 0.55655 0.00000 0.00012 0.00028 0.00040 0.55695 D50 2.59450 0.00001 0.00004 0.00036 0.00040 2.59490 D51 0.55083 0.00000 0.00003 0.00041 0.00045 0.55128 D52 -1.59237 0.00000 0.00006 0.00035 0.00041 -1.59196 D53 -0.67659 -0.00000 -0.00005 -0.00010 -0.00015 -0.67674 D54 1.37370 -0.00000 -0.00006 -0.00013 -0.00019 1.37351 D55 -2.78379 -0.00000 -0.00007 -0.00009 -0.00016 -2.78395 D56 -2.79547 -0.00000 -0.00002 -0.00014 -0.00016 -2.79563 D57 -0.74518 0.00000 -0.00002 -0.00017 -0.00019 -0.74537 D58 1.38052 -0.00000 -0.00003 -0.00013 -0.00017 1.38035 D59 1.34410 -0.00000 -0.00002 0.00003 0.00001 1.34411 D60 -2.88880 -0.00000 -0.00003 0.00000 -0.00002 -2.88882 D61 -0.76310 -0.00000 -0.00004 0.00004 0.00000 -0.76310 D62 -1.71523 0.00001 0.00093 0.00120 0.00213 -1.71310 D63 0.49101 0.00001 0.00097 0.00125 0.00222 0.49323 D64 2.66478 0.00002 0.00098 0.00111 0.00210 2.66687 D65 -3.11469 0.00000 -0.00020 -0.00037 -0.00057 -3.11526 D66 0.78413 -0.00001 -0.00024 -0.00034 -0.00059 0.78355 D67 -1.18262 -0.00001 -0.00022 -0.00040 -0.00062 -1.18323 D68 -1.50518 -0.00001 -0.00001 -0.00048 -0.00049 -1.50566 D69 0.41581 -0.00000 -0.00005 -0.00046 -0.00051 0.41530 D70 2.78693 -0.00001 0.00003 -0.00055 -0.00052 2.78641 Item Value Threshold Converged? Maximum Force 0.000120 0.000450 YES RMS Force 0.000015 0.000300 YES Maximum Displacement 0.004630 0.001800 NO RMS Displacement 0.001015 0.001200 YES Predicted change in Energy=-7.644238D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.602071 1.776211 -0.638141 2 8 0 2.590105 1.440575 -1.685012 3 8 0 0.591567 0.812287 -0.134555 4 8 0 0.759111 3.096096 -1.168030 5 6 0 2.496061 2.500430 0.780592 6 1 0 3.193365 3.289333 0.543201 7 6 0 2.348185 2.080843 2.026506 8 1 0 1.639048 1.289427 2.206552 9 6 0 3.052331 2.536506 3.288777 10 1 0 2.379353 3.114745 3.905971 11 8 0 3.417511 1.368356 4.028830 12 6 0 4.796239 1.098260 3.913755 13 1 0 5.251248 1.259661 4.887306 14 6 0 5.000075 -0.350910 3.496505 15 6 0 4.372136 3.290745 3.119483 16 1 0 4.358333 3.989668 2.297304 17 6 0 5.342037 2.132139 2.922664 18 1 0 5.279241 1.759594 1.905653 19 1 0 6.364997 2.419453 3.135044 20 8 0 4.735110 3.931859 4.316862 21 1 0 6.060865 -0.587700 3.426753 22 1 0 4.538192 -0.534552 2.532439 23 1 0 4.549544 -1.022347 4.222209 24 15 0 4.430773 5.517841 4.578309 25 8 0 4.985859 5.821212 5.911443 26 8 0 3.057717 5.825996 4.154210 27 8 0 5.451965 6.190169 3.476955 28 1 0 6.294252 6.270087 3.902567 29 1 0 -0.069289 3.092016 -0.708151 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478107 0.000000 3 O 1.484543 2.606303 0.000000 4 O 1.653317 2.522014 2.512354 0.000000 5 C 1.826613 2.685394 2.704518 2.677487 0.000000 6 H 2.493456 2.957492 3.655744 2.981819 1.079331 7 C 2.783852 3.774101 3.060249 3.709576 1.322961 8 H 2.886279 4.008943 2.608767 3.927613 2.057756 9 C 4.254644 5.114030 4.554942 5.043325 2.569384 10 H 4.800500 5.840065 4.982303 5.326445 3.187319 11 O 5.024220 5.773890 5.062504 6.087653 3.561139 12 C 5.601972 6.027470 5.843788 6.790750 4.132023 13 H 6.641828 7.092938 6.865265 7.760082 5.098594 14 C 5.759026 5.988780 5.828599 7.185089 4.666521 15 C 4.907831 5.448113 5.569938 5.610223 3.100752 16 H 4.594911 5.048103 5.495290 5.075570 2.826005 17 C 5.176231 5.411291 5.801342 6.218215 3.581019 18 H 4.471325 4.497344 5.199435 5.627196 3.092037 19 H 6.110332 6.200077 6.826841 7.099313 4.529754 20 O 6.246184 6.843248 6.834896 6.825768 4.423521 21 H 6.480146 6.503093 6.675036 7.924076 5.408008 22 H 4.900308 5.048075 4.950019 6.415335 4.055907 23 H 6.335814 6.693328 6.165457 7.770690 5.335868 24 P 7.015177 7.696840 7.687186 7.236461 5.222120 25 O 8.408871 9.090421 8.997401 8.683927 6.599418 26 O 6.440986 7.317588 7.043627 6.407978 4.770341 27 O 7.158124 7.575936 8.098648 7.291917 5.442602 28 H 7.926507 8.262320 8.866033 8.150028 6.195425 29 H 2.128306 3.279313 2.441906 0.947498 3.024458 6 7 8 9 10 6 H 0.000000 7 C 2.091644 0.000000 8 H 3.030224 1.077789 0.000000 9 C 2.850409 1.515513 2.173427 0.000000 10 H 3.464293 2.145300 2.601511 1.080827 0.000000 11 O 3.986227 2.379158 2.547519 1.430248 2.035372 12 C 4.327891 3.243477 3.594292 2.345285 3.147635 13 H 5.217825 4.157678 4.498368 3.003475 3.556984 14 C 5.023702 3.886752 3.956158 3.489131 4.364243 15 C 2.833149 2.599007 3.508344 1.529516 2.149587 16 H 2.219121 2.785254 3.833281 2.190968 2.696232 17 C 3.408480 3.125521 3.864596 2.353786 3.272599 18 H 2.923569 2.951084 3.682743 2.734183 3.774528 19 H 4.187313 4.180705 4.947084 3.318296 4.118631 20 O 4.126783 3.790700 4.584916 2.415722 2.527073 21 H 5.618613 4.781820 4.956305 4.339467 5.243212 22 H 4.515277 3.448534 3.440659 3.494457 4.456965 23 H 5.827942 4.392821 4.228257 3.972201 4.682442 24 P 4.772790 4.760444 5.594501 3.528647 3.230362 25 O 6.200119 6.003367 6.742732 4.626683 4.259197 26 O 4.415026 4.365402 5.136775 3.401433 2.805831 27 O 4.703514 5.350123 6.337944 4.375261 4.368436 28 H 5.457631 6.053166 7.025265 4.982611 5.028184 29 H 3.499961 3.787479 3.829260 5.101817 5.223647 11 12 13 14 15 11 O 0.000000 12 C 1.409640 0.000000 13 H 2.027656 1.086685 0.000000 14 C 2.396614 1.521756 2.142745 0.000000 15 C 2.331051 2.370173 2.832550 3.714580 0.000000 16 H 3.279421 3.341394 3.867602 4.548685 1.079195 17 C 2.347503 1.532665 2.151576 2.571335 1.523750 18 H 2.850787 2.168669 3.023404 2.657625 2.154216 19 H 3.254433 2.193842 2.378230 3.109434 2.175060 20 O 2.896650 2.862781 2.780728 4.368674 1.405879 21 H 3.343048 2.163079 2.490268 1.089132 4.241291 22 H 2.667615 2.154227 3.045167 1.084658 3.873640 23 H 2.652237 2.157076 2.478367 1.086486 4.455361 24 P 4.306606 4.484182 4.347500 5.994718 2.663000 25 O 5.082507 5.131568 4.682631 6.627762 3.817717 26 O 4.473894 5.042992 5.118635 6.508419 3.037410 27 O 5.262457 5.152505 5.132181 6.556699 3.114559 28 H 5.684940 5.384418 5.211711 6.758504 3.631010 29 H 6.129255 7.000745 7.935664 7.431778 5.866560 16 17 18 19 20 16 H 0.000000 17 C 2.192980 0.000000 18 H 2.444318 1.084917 0.000000 19 H 2.682179 1.083559 1.767960 0.000000 20 O 2.055218 2.356087 3.290706 2.518055 0.000000 21 H 5.012640 2.858031 2.904216 3.036537 4.793364 22 H 4.533895 2.812416 2.491007 3.525123 4.813707 23 H 5.372347 3.502520 3.692978 4.040270 4.958584 24 P 2.746552 3.877440 4.689074 3.927371 1.635944 25 O 4.100042 4.761189 5.712195 4.602432 2.484998 26 O 2.917500 4.514356 5.150419 4.856062 2.535322 27 O 2.725769 4.097186 4.704128 3.894718 2.513819 28 H 3.394843 4.357698 5.036115 3.927019 2.840752 29 H 5.426083 6.586853 6.100336 7.524794 7.002738 21 22 23 24 25 21 H 0.000000 22 H 1.766679 0.000000 23 H 1.762316 1.758805 0.000000 24 P 6.423465 6.389724 6.550952 0.000000 25 O 6.957260 7.212060 7.062449 1.475601 0.000000 26 O 7.119241 6.728932 7.009279 1.469729 2.608759 27 O 6.805349 6.851931 7.306857 1.645551 2.506015 28 H 6.878234 7.159895 7.505050 2.120154 2.439050 29 H 8.259330 6.699425 7.910123 7.354036 8.764819 26 27 28 29 26 O 0.000000 27 O 2.514701 0.000000 28 H 3.276538 0.947090 0.000000 29 H 6.394949 7.589329 8.476644 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.715609 -0.662566 0.138629 2 8 0 -4.203206 -0.359692 1.500729 3 8 0 -4.271478 -0.029410 -1.083660 4 8 0 -3.859501 -2.295127 -0.079308 5 6 0 -1.897669 -0.485008 0.129549 6 1 0 -1.372238 -0.992223 0.924288 7 6 0 -1.240752 0.242918 -0.758600 8 1 0 -1.815546 0.728695 -1.530132 9 6 0 0.243477 0.530923 -0.862978 10 1 0 0.673304 -0.010721 -1.693676 11 8 0 0.397557 1.926733 -1.134237 12 6 0 0.815249 2.629532 0.014107 13 1 0 1.827573 2.984030 -0.160294 14 6 0 -0.102648 3.820883 0.246253 15 6 0 1.089119 0.305671 0.391442 16 1 0 0.808519 -0.581600 0.937955 17 6 0 0.828199 1.600984 1.150321 18 1 0 -0.138249 1.559266 1.641528 19 1 0 1.595742 1.799579 1.888927 20 8 0 2.457826 0.285555 0.070921 21 1 0 0.218699 4.393051 1.115487 22 1 0 -1.121826 3.486326 0.406969 23 1 0 -0.094130 4.481075 -0.616606 24 15 0 3.279647 -1.113732 -0.136248 25 8 0 4.674445 -0.724719 -0.420162 26 8 0 2.481438 -2.028563 -0.964530 27 8 0 3.254231 -1.690925 1.404545 28 1 0 3.997179 -1.307351 1.849379 29 1 0 -3.899943 -2.441895 -1.014495 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5800892 0.1937802 0.1620074 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.3583194082 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.80D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= 0.000000 0.000000 0.000000 Rot= 1.000000 -0.000029 0.000019 0.000032 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) = -1552.57168842 A.U. after 7 cycles NFock= 7 Conv=0.88D-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 15 0.000031012 -0.000077112 0.000033530 2 8 -0.000001567 0.000001680 -0.000001391 3 8 0.000014973 0.000006553 -0.000005213 4 8 -0.000043548 0.000068718 -0.000036377 5 6 -0.000004618 0.000035288 -0.000002224 6 1 0.000010316 -0.000022186 -0.000002400 7 6 -0.000010447 -0.000020360 -0.000013495 8 1 -0.000004607 0.000003580 -0.000003526 9 6 0.000027188 -0.000013931 0.000012216 10 1 -0.000004511 -0.000001724 0.000001357 11 8 0.000000207 0.000033397 0.000007216 12 6 0.000021664 -0.000006266 0.000009285 13 1 -0.000010369 -0.000005641 0.000002538 14 6 -0.000005805 0.000003000 -0.000005766 15 6 0.000007201 0.000006364 0.000021300 16 1 0.000001191 0.000004721 0.000003777 17 6 -0.000030091 0.000001310 0.000000509 18 1 0.000002810 -0.000005550 -0.000002682 19 1 -0.000003151 -0.000001711 -0.000002204 20 8 0.000018730 -0.000039410 -0.000047268 21 1 0.000001732 0.000004109 0.000000229 22 1 0.000000989 -0.000002013 -0.000001378 23 1 0.000001749 -0.000007676 -0.000000202 24 15 -0.000034639 0.000041935 0.000055604 25 8 -0.000010508 -0.000003597 -0.000032888 26 8 0.000021805 0.000002282 0.000005474 27 8 0.000001522 -0.000008702 -0.000013432 28 1 0.000002549 0.000007508 0.000009792 29 1 -0.000001777 -0.000004566 0.000007617 ------------------------------------------------------------------- Cartesian Forces: Max 0.000077112 RMS 0.000020354 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000083540 RMS 0.000010554 Search for a local minimum. Step number 32 out of a maximum of 161 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 19 20 21 22 23 24 25 26 27 28 29 30 31 32 DE= -1.43D-07 DEPred=-7.64D-08 R= 1.87D+00 Trust test= 1.87D+00 RLast= 4.78D-03 DXMaxT set to 7.61D-01 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 1 1 1 1 0 1 0 Eigenvalues --- 0.00088 0.00233 0.00253 0.00313 0.00335 Eigenvalues --- 0.00430 0.00639 0.01113 0.02387 0.03103 Eigenvalues --- 0.03218 0.03497 0.03973 0.04367 0.04623 Eigenvalues --- 0.05285 0.05403 0.05501 0.05570 0.05578 Eigenvalues --- 0.06023 0.06577 0.06769 0.07771 0.08118 Eigenvalues --- 0.08360 0.08722 0.12329 0.13623 0.14206 Eigenvalues --- 0.15256 0.15633 0.15883 0.15988 0.16027 Eigenvalues --- 0.16122 0.16131 0.16581 0.16948 0.17410 Eigenvalues --- 0.18356 0.19977 0.20247 0.20747 0.21080 Eigenvalues --- 0.21293 0.22558 0.23904 0.25236 0.26370 Eigenvalues --- 0.26555 0.28208 0.28489 0.29432 0.29947 Eigenvalues --- 0.31120 0.33336 0.33504 0.33606 0.33634 Eigenvalues --- 0.33819 0.34506 0.34528 0.34875 0.35932 Eigenvalues --- 0.36199 0.37626 0.38719 0.39178 0.43553 Eigenvalues --- 0.46006 0.48463 0.48632 0.54958 0.56669 Eigenvalues --- 0.59670 0.62372 0.68096 0.70734 0.99223 Eigenvalues --- 1.01050 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 32 31 30 29 28 27 26 25 24 23 RFO step: Lambda=-2.16750967D-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: 2.33343 -1.38390 0.05047 0.00000 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00143291 RMS(Int)= 0.00000099 Iteration 2 RMS(Cart)= 0.00000183 RMS(Int)= 0.00000001 Iteration 3 RMS(Cart)= 0.00000000 RMS(Int)= 0.00000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79322 -0.00000 0.00000 -0.00001 -0.00001 2.79321 R2 2.80538 -0.00002 0.00001 -0.00002 -0.00002 2.80536 R3 3.12432 0.00008 0.00018 0.00001 0.00019 3.12451 R4 3.45180 0.00000 0.00003 0.00007 0.00009 3.45189 R5 1.79051 0.00001 0.00000 0.00001 0.00001 1.79052 R6 2.03964 -0.00001 -0.00002 -0.00001 -0.00002 2.03962 R7 2.50003 0.00001 0.00003 0.00000 0.00003 2.50006 R8 2.03673 -0.00000 -0.00002 0.00001 -0.00001 2.03671 R9 2.86390 0.00003 -0.00006 0.00005 -0.00000 2.86390 R10 2.04247 0.00000 -0.00003 0.00001 -0.00002 2.04244 R11 2.70278 -0.00001 0.00009 -0.00005 0.00004 2.70282 R12 2.89037 -0.00000 0.00003 -0.00003 -0.00000 2.89037 R13 2.66383 -0.00000 -0.00003 0.00001 -0.00002 2.66381 R14 2.05354 -0.00000 0.00001 -0.00001 -0.00000 2.05354 R15 2.87570 0.00000 -0.00001 0.00002 0.00001 2.87571 R16 2.89632 -0.00000 -0.00005 0.00004 -0.00001 2.89630 R17 2.05816 0.00000 -0.00000 0.00000 -0.00000 2.05816 R18 2.04971 0.00000 0.00000 0.00000 0.00001 2.04971 R19 2.05316 0.00000 -0.00000 0.00001 0.00000 2.05317 R20 2.03938 0.00000 0.00001 0.00001 0.00002 2.03941 R21 2.87947 -0.00001 0.00002 -0.00001 0.00001 2.87948 R22 2.65673 -0.00002 -0.00001 -0.00003 -0.00004 2.65669 R23 2.05020 0.00000 -0.00000 0.00000 0.00000 2.05020 R24 2.04763 -0.00000 0.00001 -0.00001 -0.00000 2.04763 R25 3.09149 0.00005 0.00013 -0.00000 0.00013 3.09162 R26 2.78848 -0.00003 -0.00003 -0.00001 -0.00003 2.78845 R27 2.77739 -0.00002 -0.00001 -0.00000 -0.00002 2.77737 R28 3.10964 0.00000 0.00009 -0.00003 0.00006 3.10970 R29 1.78974 0.00001 -0.00000 0.00000 0.00000 1.78974 A1 2.15054 -0.00000 0.00000 0.00003 0.00003 2.15058 A2 1.87035 -0.00000 -0.00004 -0.00001 -0.00005 1.87030 A3 1.88912 0.00000 0.00004 -0.00002 0.00002 1.88914 A4 1.85462 -0.00000 0.00002 0.00000 0.00002 1.85464 A5 1.90404 -0.00000 -0.00004 -0.00003 -0.00007 1.90397 A6 1.75377 0.00001 0.00002 0.00003 0.00005 1.75382 A7 1.86166 -0.00001 -0.00003 0.00000 -0.00002 1.86163 A8 2.02101 0.00001 0.00008 -0.00003 0.00005 2.02106 A9 2.15438 -0.00002 -0.00007 -0.00000 -0.00007 2.15430 A10 2.10733 0.00001 -0.00001 0.00003 0.00002 2.10736 A11 2.05302 -0.00001 -0.00007 -0.00000 -0.00007 2.05296 A12 2.26153 0.00000 -0.00005 0.00002 -0.00002 2.26150 A13 1.96855 0.00000 0.00011 -0.00002 0.00009 1.96864 A14 1.92535 0.00000 0.00003 -0.00003 -0.00001 1.92535 A15 1.87972 0.00000 -0.00005 0.00007 0.00001 1.87973 A16 2.04541 -0.00000 -0.00002 -0.00001 -0.00003 2.04538 A17 1.87597 -0.00000 -0.00001 0.00000 -0.00000 1.87597 A18 1.91417 -0.00000 0.00004 0.00001 0.00005 1.91422 A19 1.81286 0.00001 0.00001 -0.00003 -0.00002 1.81284 A20 1.94333 0.00000 0.00001 0.00000 0.00001 1.94334 A21 1.88382 -0.00000 0.00005 -0.00004 0.00001 1.88383 A22 1.91332 0.00001 -0.00002 0.00004 0.00002 1.91334 A23 1.84610 -0.00001 -0.00002 -0.00003 -0.00004 1.84606 A24 1.90816 -0.00000 -0.00001 0.00003 0.00002 1.90818 A25 1.90713 0.00001 -0.00006 0.00008 0.00002 1.90715 A26 2.00136 -0.00001 0.00006 -0.00008 -0.00002 2.00134 A27 1.93378 -0.00001 0.00002 -0.00006 -0.00004 1.93374 A28 1.92612 0.00000 0.00000 0.00002 0.00002 1.92615 A29 1.92818 0.00001 -0.00002 0.00005 0.00003 1.92821 A30 1.89760 0.00000 0.00001 -0.00001 -0.00000 1.89760 A31 1.88841 -0.00000 0.00001 -0.00001 -0.00000 1.88840 A32 1.88858 -0.00000 -0.00001 0.00000 -0.00001 1.88858 A33 1.97431 0.00000 0.00002 0.00001 0.00003 1.97434 A34 1.76053 -0.00001 -0.00001 -0.00006 -0.00007 1.76046 A35 1.93199 0.00000 0.00023 -0.00002 0.00021 1.93220 A36 1.98469 0.00001 -0.00001 0.00001 -0.00000 1.98468 A37 1.93566 -0.00000 -0.00010 0.00002 -0.00008 1.93558 A38 1.86755 0.00000 -0.00011 0.00003 -0.00009 1.86746 A39 1.77493 0.00001 -0.00007 0.00010 0.00004 1.77496 A40 1.93256 -0.00000 0.00000 -0.00003 -0.00002 1.93254 A41 1.96960 -0.00000 0.00003 -0.00003 -0.00001 1.96959 A42 1.92340 0.00000 -0.00003 0.00002 -0.00001 1.92339 A43 1.95410 -0.00000 0.00004 -0.00002 0.00002 1.95412 A44 1.90650 0.00000 0.00002 -0.00003 -0.00001 1.90649 A45 2.12961 0.00002 0.00014 0.00003 0.00017 2.12977 A46 1.84805 0.00001 -0.00000 0.00003 0.00003 1.84808 A47 1.90810 0.00001 0.00004 0.00001 0.00005 1.90815 A48 1.74537 -0.00001 -0.00003 -0.00003 -0.00006 1.74531 A49 2.17611 -0.00000 -0.00001 0.00001 0.00000 2.17611 A50 1.86213 -0.00001 -0.00004 -0.00004 -0.00008 1.86205 A51 1.87650 -0.00000 0.00003 0.00001 0.00004 1.87654 A52 1.86044 -0.00001 -0.00006 -0.00005 -0.00011 1.86033 D1 2.74018 -0.00000 0.00043 0.00034 0.00077 2.74096 D2 0.41158 0.00000 0.00044 0.00031 0.00075 0.41233 D3 -1.57128 0.00000 0.00047 0.00033 0.00080 -1.57048 D4 0.86010 -0.00001 -0.00081 -0.00083 -0.00164 0.85846 D5 -2.24899 0.00000 -0.00070 -0.00083 -0.00152 -2.25051 D6 -3.04207 -0.00001 -0.00080 -0.00084 -0.00164 -3.04371 D7 0.13202 -0.00000 -0.00069 -0.00083 -0.00152 0.13051 D8 -1.09721 -0.00001 -0.00079 -0.00083 -0.00161 -1.09882 D9 2.07689 -0.00000 -0.00067 -0.00082 -0.00150 2.07540 D10 -0.03257 -0.00000 -0.00002 0.00008 0.00007 -0.03251 D11 3.09356 -0.00000 -0.00005 0.00010 0.00005 3.09362 D12 -3.14011 0.00000 0.00010 0.00009 0.00019 -3.13992 D13 -0.01398 0.00001 0.00006 0.00011 0.00018 -0.01380 D14 1.87500 0.00000 0.00074 0.00022 0.00096 1.87596 D15 -2.36562 -0.00000 0.00071 0.00024 0.00096 -2.36467 D16 -0.33158 0.00000 0.00068 0.00024 0.00092 -0.33066 D17 -1.28144 0.00000 0.00071 0.00024 0.00094 -1.28050 D18 0.76112 0.00000 0.00068 0.00026 0.00094 0.76206 D19 2.79516 0.00001 0.00064 0.00026 0.00090 2.79606 D20 1.81922 -0.00000 0.00046 -0.00062 -0.00016 1.81907 D21 -2.38953 -0.00000 0.00046 -0.00062 -0.00016 -2.38969 D22 -0.36162 -0.00000 0.00051 -0.00062 -0.00011 -0.36173 D23 0.70088 0.00000 -0.00011 0.00020 0.00009 0.70097 D24 -1.42530 -0.00000 -0.00010 0.00022 0.00012 -1.42518 D25 2.88554 -0.00000 -0.00006 0.00023 0.00017 2.88571 D26 -1.51118 0.00000 -0.00017 0.00024 0.00008 -1.51111 D27 2.64582 0.00000 -0.00016 0.00026 0.00011 2.64592 D28 0.67347 0.00000 -0.00011 0.00027 0.00016 0.67363 D29 2.77112 0.00000 -0.00018 0.00025 0.00007 2.77119 D30 0.64493 0.00000 -0.00017 0.00027 0.00010 0.64503 D31 -1.32741 0.00000 -0.00013 0.00028 0.00015 -1.32726 D32 1.96101 0.00001 -0.00069 0.00075 0.00006 1.96107 D33 -2.24528 0.00001 -0.00069 0.00078 0.00010 -2.24518 D34 -0.07866 0.00000 -0.00064 0.00069 0.00006 -0.07861 D35 -3.11607 -0.00001 0.00006 -0.00018 -0.00012 -3.11619 D36 1.06437 -0.00000 0.00004 -0.00014 -0.00010 1.06426 D37 -1.02350 -0.00001 0.00006 -0.00019 -0.00013 -1.02363 D38 -1.05425 -0.00000 0.00011 -0.00019 -0.00009 -1.05434 D39 3.12619 0.00000 0.00008 -0.00016 -0.00007 3.12612 D40 1.03833 -0.00000 0.00011 -0.00021 -0.00010 1.03823 D41 1.09410 0.00000 0.00006 -0.00012 -0.00006 1.09404 D42 -1.00864 0.00001 0.00004 -0.00008 -0.00005 -1.00869 D43 -3.09651 0.00000 0.00006 -0.00014 -0.00007 -3.09658 D44 0.48450 0.00000 0.00050 -0.00047 0.00003 0.48453 D45 -1.55913 -0.00000 0.00056 -0.00053 0.00003 -1.55910 D46 2.58083 -0.00000 0.00052 -0.00045 0.00007 2.58089 D47 -1.53938 0.00001 0.00048 -0.00044 0.00003 -1.53935 D48 2.70018 -0.00000 0.00054 -0.00051 0.00003 2.70022 D49 0.55695 0.00000 0.00049 -0.00042 0.00007 0.55702 D50 2.59490 0.00000 0.00050 -0.00048 0.00001 2.59491 D51 0.55128 -0.00000 0.00056 -0.00055 0.00001 0.55129 D52 -1.59196 0.00000 0.00052 -0.00047 0.00005 -1.59191 D53 -0.67674 -0.00000 -0.00020 0.00010 -0.00009 -0.67683 D54 1.37351 -0.00000 -0.00024 0.00013 -0.00010 1.37341 D55 -2.78395 -0.00000 -0.00021 0.00010 -0.00011 -2.78406 D56 -2.79563 -0.00000 -0.00020 0.00012 -0.00008 -2.79571 D57 -0.74537 0.00000 -0.00025 0.00015 -0.00009 -0.74547 D58 1.38035 0.00000 -0.00021 0.00011 -0.00010 1.38025 D59 1.34411 -0.00000 0.00001 0.00007 0.00009 1.34420 D60 -2.88882 -0.00000 -0.00003 0.00010 0.00007 -2.88875 D61 -0.76310 -0.00000 0.00000 0.00006 0.00007 -0.76303 D62 -1.71310 0.00001 0.00277 -0.00004 0.00273 -1.71037 D63 0.49323 0.00001 0.00288 -0.00002 0.00287 0.49610 D64 2.66687 0.00001 0.00273 0.00003 0.00275 2.66963 D65 -3.11526 0.00000 -0.00074 0.00036 -0.00037 -3.11564 D66 0.78355 -0.00001 -0.00075 0.00032 -0.00043 0.78311 D67 -1.18323 -0.00000 -0.00079 0.00032 -0.00047 -1.18370 D68 -1.50566 -0.00000 -0.00063 -0.00060 -0.00123 -1.50689 D69 0.41530 -0.00000 -0.00066 -0.00059 -0.00125 0.41405 D70 2.78641 -0.00001 -0.00067 -0.00060 -0.00128 2.78513 Item Value Threshold Converged? Maximum Force 0.000084 0.000450 YES RMS Force 0.000011 0.000300 YES Maximum Displacement 0.007046 0.001800 NO RMS Displacement 0.001433 0.001200 NO Predicted change in Energy=-1.083451D-07 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.602405 1.776032 -0.638073 2 8 0 2.589895 1.440281 -1.685414 3 8 0 0.592028 0.812261 -0.133964 4 8 0 0.759331 3.096088 -1.167666 5 6 0 2.497159 2.500110 0.780313 6 1 0 3.195626 3.287839 0.542502 7 6 0 2.348474 2.081541 2.026491 8 1 0 1.638286 1.291147 2.206838 9 6 0 3.052948 2.537173 3.288588 10 1 0 2.380305 3.115875 3.905690 11 8 0 3.417643 1.369019 4.028915 12 6 0 4.796183 1.098116 3.913633 13 1 0 5.251484 1.259484 4.887052 14 6 0 4.999145 -0.351254 3.496630 15 6 0 4.373121 3.290688 3.118950 16 1 0 4.359594 3.989469 2.296630 17 6 0 5.342308 2.131468 2.922184 18 1 0 5.279045 1.758711 1.905280 19 1 0 6.365490 2.418228 3.134234 20 8 0 4.736901 3.931862 4.316029 21 1 0 6.059800 -0.588568 3.426625 22 1 0 4.536898 -0.534883 2.532733 23 1 0 4.548500 -1.022329 4.222602 24 15 0 4.430340 5.517240 4.578964 25 8 0 4.986630 5.820625 5.911573 26 8 0 3.056293 5.823565 4.156782 27 8 0 5.449200 6.191894 3.476828 28 1 0 6.291547 6.273815 3.901941 29 1 0 -0.068578 3.092503 -0.706890 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478103 0.000000 3 O 1.484534 2.606316 0.000000 4 O 1.653418 2.522047 2.512448 0.000000 5 C 1.826662 2.685451 2.704488 2.677659 0.000000 6 H 2.493527 2.957024 3.655792 2.982780 1.079318 7 C 2.783857 3.774618 3.060023 3.709086 1.322977 8 H 2.886160 4.009667 2.608321 3.926531 2.057724 9 C 4.254654 5.114517 4.554702 5.042942 2.569381 10 H 4.800634 5.840547 4.982305 5.326057 3.187601 11 O 5.024095 5.774410 5.061980 6.087188 3.560910 12 C 5.601591 6.027778 5.842916 6.790262 4.131439 13 H 6.641507 7.093240 6.864484 7.759650 5.098114 14 C 5.758382 5.988962 5.827320 7.184417 4.665682 15 C 4.907777 5.448468 5.569623 5.610029 3.100559 16 H 4.594985 5.048453 5.495179 5.075566 2.825965 17 C 5.175775 5.411421 5.800474 6.217800 3.580277 18 H 4.470640 4.497333 5.198308 5.626667 3.090972 19 H 6.109803 6.200040 6.825914 7.098933 4.528977 20 O 6.246263 6.843605 6.834787 6.825723 4.423534 21 H 6.479311 6.503031 6.673578 7.923330 5.406969 22 H 4.899550 5.048254 4.948542 6.414586 4.054959 23 H 6.335334 6.693671 6.164337 7.770080 5.335253 24 P 7.015079 7.697484 7.686426 7.236162 5.222070 25 O 8.408899 9.090982 8.996930 8.683823 6.599478 26 O 6.441036 7.318603 7.042461 6.408191 4.770589 27 O 7.157520 7.576424 8.097555 7.290420 5.441968 28 H 7.926528 8.263402 8.865755 8.148882 6.195385 29 H 2.128383 3.279455 2.442160 0.947503 3.024187 6 7 8 9 10 6 H 0.000000 7 C 2.091661 0.000000 8 H 3.030198 1.077783 0.000000 9 C 2.850411 1.515510 2.173484 0.000000 10 H 3.464874 2.145284 2.601215 1.080814 0.000000 11 O 3.985755 2.379183 2.547969 1.430270 2.035378 12 C 4.326800 3.243410 3.594819 2.345301 3.147679 13 H 5.216886 4.157650 4.498861 3.003521 3.557096 14 C 5.022206 3.886626 3.956820 3.489123 4.364245 15 C 2.832770 2.598980 3.508480 1.529516 2.149613 16 H 2.219025 2.785277 3.833344 2.190997 2.696261 17 C 3.407099 3.125348 3.864924 2.353724 3.272583 18 H 2.921648 2.950789 3.683026 2.734054 3.774417 19 H 4.185849 4.180534 4.947407 3.318269 4.118684 20 O 4.126718 3.790812 4.585137 2.415883 2.527402 21 H 5.616778 4.781610 4.956914 4.339409 5.243194 22 H 4.513672 3.448356 3.441301 3.494417 4.456897 23 H 5.826745 4.392838 4.229046 3.972293 4.682546 24 P 4.773654 4.759549 5.593068 3.527474 3.228389 25 O 6.200776 6.002872 6.741857 4.626038 4.258189 26 O 4.417277 4.363701 5.133793 3.399138 2.802070 27 O 4.703446 5.349110 6.336661 4.374294 4.366227 28 H 5.457711 6.053123 7.025183 4.982692 5.026969 29 H 3.500595 3.786233 3.827281 5.100604 5.222400 11 12 13 14 15 11 O 0.000000 12 C 1.409628 0.000000 13 H 2.027651 1.086685 0.000000 14 C 2.396625 1.521761 2.142761 0.000000 15 C 2.331048 2.370205 2.832578 3.714605 0.000000 16 H 3.279458 3.341441 3.867632 4.548726 1.079207 17 C 2.347449 1.532658 2.151584 2.571315 1.523755 18 H 2.850702 2.168646 3.023401 2.657573 2.154215 19 H 3.254396 2.193828 2.378250 3.109383 2.175075 20 O 2.896729 2.862788 2.780732 4.368669 1.405859 21 H 3.343036 2.163055 2.490284 1.089132 4.241246 22 H 2.667608 2.154251 3.045193 1.084660 3.873688 23 H 2.652338 2.157103 2.478376 1.086488 4.455437 24 P 4.305327 4.483878 4.347146 5.994514 2.663166 25 O 5.081625 5.131289 4.682286 6.627533 3.817816 26 O 4.471007 5.041449 5.116933 6.506832 3.037532 27 O 5.262334 5.154009 5.133858 6.558638 3.114968 28 H 5.686165 5.387403 5.214949 6.762109 3.632146 29 H 6.127968 6.999479 7.934432 7.430401 5.865579 16 17 18 19 20 16 H 0.000000 17 C 2.192992 0.000000 18 H 2.444346 1.084917 0.000000 19 H 2.682163 1.083558 1.767952 0.000000 20 O 2.055152 2.356001 3.290626 2.517942 0.000000 21 H 5.012585 2.857945 2.904099 3.036406 4.793264 22 H 4.533976 2.812434 2.490994 3.525112 4.813725 23 H 5.372446 3.502521 3.692948 4.040226 4.958652 24 P 2.747387 3.878151 4.689928 3.928858 1.636012 25 O 4.100502 4.761600 5.712708 4.603387 2.485065 26 O 2.919360 4.514607 5.151012 4.857233 2.535418 27 O 2.725946 4.099526 4.706573 3.898399 2.513837 28 H 3.395247 4.361194 5.039641 3.931971 2.841326 29 H 5.425347 6.585700 6.099139 7.523703 7.001919 21 22 23 24 25 21 H 0.000000 22 H 1.766679 0.000000 23 H 1.762315 1.758804 0.000000 24 P 6.423699 6.389569 6.550337 0.000000 25 O 6.957328 7.211885 7.061912 1.475584 0.000000 26 O 7.118260 6.727524 7.006945 1.469721 2.608736 27 O 6.808085 6.853695 7.308383 1.645582 2.505953 28 H 6.882727 7.163231 7.508312 2.120108 2.438608 29 H 8.257920 6.698022 7.908802 7.352542 8.763666 26 27 28 29 26 O 0.000000 27 O 2.514758 0.000000 28 H 3.276360 0.947090 0.000000 29 H 6.393655 7.586541 8.474271 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.715530 -0.662552 0.138472 2 8 0 -4.203976 -0.359842 1.500301 3 8 0 -4.270738 -0.029431 -1.084124 4 8 0 -3.859081 -2.295229 -0.079588 5 6 0 -1.897571 -0.484640 0.130421 6 1 0 -1.372572 -0.990464 0.926314 7 6 0 -1.240246 0.242144 -0.758385 8 1 0 -1.814721 0.726663 -1.530936 9 6 0 0.243992 0.530286 -0.862228 10 1 0 0.674260 -0.011721 -1.692443 11 8 0 0.398035 1.925997 -1.134133 12 6 0 0.814915 2.629469 0.014078 13 1 0 1.827270 2.984083 -0.159910 14 6 0 -0.103372 3.820738 0.245128 15 6 0 1.089038 0.305819 0.392734 16 1 0 0.808353 -0.581240 0.939570 17 6 0 0.827382 1.601473 1.150788 18 1 0 -0.139367 1.559807 1.641404 19 1 0 1.594408 1.800610 1.889782 20 8 0 2.457964 0.285872 0.073228 21 1 0 0.217333 4.393311 1.114332 22 1 0 -1.122594 3.486068 0.405347 23 1 0 -0.094441 4.480593 -0.617988 24 15 0 3.279659 -1.113196 -0.136442 25 8 0 4.674650 -0.723900 -0.418925 26 8 0 2.481683 -2.026261 -0.966878 27 8 0 3.253530 -1.693400 1.403241 28 1 0 3.997030 -1.311642 1.848717 29 1 0 -3.898260 -2.442024 -1.014830 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5801627 0.1937898 0.1620199 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.3870302045 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.80D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 -0.000000 -0.000000 Rot= 1.000000 -0.000065 0.000040 -0.000025 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) = -1552.57168855 A.U. after 8 cycles NFock= 8 Conv=0.51D-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 15 0.000015155 -0.000022199 0.000029921 2 8 0.000001060 -0.000000943 0.000000321 3 8 0.000008628 0.000007946 -0.000007299 4 8 -0.000014532 0.000025957 -0.000014288 5 6 -0.000017920 0.000001765 -0.000005757 6 1 0.000003630 -0.000008073 -0.000005283 7 6 -0.000004424 -0.000000340 -0.000032644 8 1 -0.000001633 -0.000001596 0.000005368 9 6 0.000023239 -0.000021858 0.000029379 10 1 -0.000003676 -0.000002392 -0.000000725 11 8 -0.000011598 0.000031629 0.000008175 12 6 0.000009241 -0.000002486 0.000000359 13 1 -0.000009129 -0.000006699 0.000001845 14 6 -0.000001648 0.000003479 -0.000005563 15 6 0.000011398 -0.000002040 0.000012116 16 1 -0.000000214 0.000003548 0.000001034 17 6 -0.000011054 0.000007075 -0.000005158 18 1 0.000004020 -0.000003154 -0.000000694 19 1 -0.000000275 -0.000000023 -0.000000959 20 8 -0.000005450 -0.000002892 -0.000016419 21 1 0.000003028 0.000000357 0.000000067 22 1 0.000001239 0.000001501 0.000000837 23 1 0.000001370 -0.000004737 0.000000298 24 15 0.000009252 0.000006814 -0.000002957 25 8 -0.000006994 -0.000001889 -0.000008707 26 8 0.000006980 -0.000001023 0.000004915 27 8 -0.000012245 -0.000005042 0.000004569 28 1 0.000003806 0.000001152 0.000003851 29 1 -0.000001255 -0.000003837 0.000003397 ------------------------------------------------------------------- Cartesian Forces: Max 0.000032644 RMS 0.000010350 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000029197 RMS 0.000005511 Search for a local minimum. Step number 33 out of a maximum of 161 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 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 DE= -1.26D-07 DEPred=-1.08D-07 R= 1.17D+00 Trust test= 1.17D+00 RLast= 7.15D-03 DXMaxT set to 7.61D-01 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 1 1 1 1 0 1 0 Eigenvalues --- 0.00085 0.00232 0.00258 0.00314 0.00331 Eigenvalues --- 0.00355 0.00642 0.01085 0.02380 0.03101 Eigenvalues --- 0.03215 0.03498 0.03831 0.04324 0.04623 Eigenvalues --- 0.05300 0.05422 0.05498 0.05549 0.05585 Eigenvalues --- 0.06025 0.06548 0.06744 0.07753 0.08093 Eigenvalues --- 0.08342 0.08746 0.12346 0.13613 0.14226 Eigenvalues --- 0.15181 0.15572 0.15879 0.15970 0.16022 Eigenvalues --- 0.16118 0.16145 0.16330 0.16831 0.17426 Eigenvalues --- 0.18498 0.20012 0.20427 0.20830 0.21010 Eigenvalues --- 0.21291 0.22594 0.23991 0.25031 0.26411 Eigenvalues --- 0.26452 0.28257 0.28458 0.29605 0.30006 Eigenvalues --- 0.31197 0.32960 0.33505 0.33574 0.33635 Eigenvalues --- 0.33820 0.34519 0.34529 0.34854 0.35991 Eigenvalues --- 0.36201 0.37510 0.38456 0.39175 0.43150 Eigenvalues --- 0.45964 0.47327 0.48494 0.54969 0.57058 Eigenvalues --- 0.59687 0.62419 0.68024 0.70156 0.98799 Eigenvalues --- 1.00852 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 33 32 31 30 29 28 27 26 25 24 RFO step: Lambda=-4.02291924D-08. DIIS inversion failure, remove point 10. DIIS inversion failure, remove point 9. DIIS inversion failure, remove point 8. DIIS inversion failure, remove point 7. DIIS inversion failure, remove point 6. DIIS inversion failure, remove point 5. RFO-DIIS uses 4 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.57661 -0.97208 -0.03639 0.43186 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00080566 RMS(Int)= 0.00000019 Iteration 2 RMS(Cart)= 0.00000031 RMS(Int)= 0.00000000 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79321 0.00000 -0.00000 0.00001 0.00000 2.79321 R2 2.80536 -0.00001 -0.00002 0.00000 -0.00001 2.80535 R3 3.12451 0.00003 0.00012 -0.00005 0.00007 3.12458 R4 3.45189 -0.00002 0.00004 -0.00003 0.00001 3.45190 R5 1.79052 0.00000 0.00001 -0.00000 0.00001 1.79053 R6 2.03962 -0.00000 -0.00001 0.00001 -0.00001 2.03961 R7 2.50006 -0.00000 0.00001 -0.00001 0.00000 2.50007 R8 2.03671 0.00000 0.00000 0.00001 0.00001 2.03672 R9 2.86390 0.00003 0.00004 0.00003 0.00007 2.86397 R10 2.04244 0.00000 0.00001 -0.00001 -0.00000 2.04244 R11 2.70282 -0.00002 -0.00005 -0.00005 -0.00010 2.70272 R12 2.89037 0.00000 -0.00002 0.00001 -0.00001 2.89036 R13 2.66381 0.00001 0.00002 0.00001 0.00003 2.66384 R14 2.05354 -0.00000 -0.00001 -0.00001 -0.00001 2.05352 R15 2.87571 0.00000 0.00001 -0.00000 0.00001 2.87573 R16 2.89630 0.00000 0.00003 0.00003 0.00006 2.89637 R17 2.05816 0.00000 0.00000 0.00001 0.00001 2.05817 R18 2.04971 -0.00000 -0.00000 -0.00001 -0.00001 2.04970 R19 2.05317 0.00000 0.00001 0.00000 0.00001 2.05317 R20 2.03941 0.00000 0.00000 0.00000 0.00001 2.03941 R21 2.87948 -0.00001 -0.00001 -0.00001 -0.00002 2.87946 R22 2.65669 -0.00002 -0.00004 0.00000 -0.00004 2.65665 R23 2.05020 0.00000 -0.00000 -0.00000 -0.00000 2.05019 R24 2.04763 -0.00000 -0.00000 0.00000 0.00000 2.04763 R25 3.09162 0.00000 0.00006 -0.00004 0.00002 3.09164 R26 2.78845 -0.00001 -0.00002 0.00001 -0.00002 2.78843 R27 2.77737 -0.00001 -0.00001 0.00001 -0.00001 2.77736 R28 3.10970 -0.00001 0.00001 -0.00003 -0.00002 3.10968 R29 1.78974 0.00001 0.00001 0.00000 0.00001 1.78975 A1 2.15058 -0.00000 0.00002 -0.00002 -0.00001 2.15057 A2 1.87030 0.00000 0.00000 0.00002 0.00002 1.87032 A3 1.88914 -0.00000 -0.00001 -0.00002 -0.00003 1.88911 A4 1.85464 -0.00000 -0.00002 0.00000 -0.00002 1.85462 A5 1.90397 0.00000 -0.00001 0.00003 0.00002 1.90399 A6 1.75382 0.00000 0.00003 0.00000 0.00003 1.75385 A7 1.86163 -0.00001 -0.00007 -0.00000 -0.00007 1.86156 A8 2.02106 -0.00001 0.00000 -0.00004 -0.00004 2.02103 A9 2.15430 0.00000 -0.00004 0.00005 0.00001 2.15431 A10 2.10736 0.00000 0.00003 -0.00001 0.00002 2.10738 A11 2.05296 0.00000 -0.00003 0.00002 -0.00000 2.05295 A12 2.26150 0.00001 0.00002 0.00002 0.00004 2.26154 A13 1.96864 -0.00001 0.00001 -0.00004 -0.00003 1.96860 A14 1.92535 -0.00000 -0.00006 -0.00003 -0.00008 1.92526 A15 1.87973 0.00000 0.00006 0.00003 0.00009 1.87982 A16 2.04538 -0.00000 0.00005 -0.00001 0.00003 2.04541 A17 1.87597 -0.00000 -0.00003 -0.00003 -0.00006 1.87591 A18 1.91422 0.00000 0.00002 0.00002 0.00004 1.91426 A19 1.81284 0.00000 -0.00004 0.00001 -0.00003 1.81282 A20 1.94334 -0.00000 -0.00002 -0.00003 -0.00005 1.94330 A21 1.88383 -0.00001 -0.00007 -0.00007 -0.00014 1.88369 A22 1.91334 0.00001 0.00006 0.00005 0.00011 1.91344 A23 1.84606 -0.00000 0.00000 0.00006 0.00006 1.84612 A24 1.90818 0.00000 0.00001 -0.00003 -0.00002 1.90816 A25 1.90715 0.00001 0.00008 0.00003 0.00011 1.90726 A26 2.00134 -0.00001 -0.00009 -0.00004 -0.00013 2.00121 A27 1.93374 -0.00000 -0.00005 0.00001 -0.00003 1.93370 A28 1.92615 -0.00000 0.00001 -0.00003 -0.00001 1.92613 A29 1.92821 0.00001 0.00005 0.00001 0.00006 1.92827 A30 1.89760 0.00000 -0.00001 0.00000 -0.00001 1.89759 A31 1.88840 -0.00000 -0.00001 -0.00000 -0.00001 1.88839 A32 1.88858 -0.00000 0.00001 0.00001 0.00001 1.88859 A33 1.97434 0.00000 0.00002 -0.00000 0.00002 1.97436 A34 1.76046 -0.00000 -0.00004 0.00003 -0.00001 1.76045 A35 1.93220 -0.00000 -0.00001 0.00001 -0.00000 1.93220 A36 1.98468 0.00000 0.00002 -0.00002 0.00001 1.98469 A37 1.93558 -0.00000 -0.00001 -0.00002 -0.00003 1.93555 A38 1.86746 0.00000 0.00002 0.00001 0.00002 1.86749 A39 1.77496 -0.00000 0.00007 -0.00001 0.00006 1.77503 A40 1.93254 -0.00000 -0.00002 0.00000 -0.00001 1.93252 A41 1.96959 0.00000 -0.00003 0.00001 -0.00002 1.96957 A42 1.92339 0.00000 0.00002 0.00002 0.00004 1.92343 A43 1.95412 -0.00000 -0.00001 -0.00001 -0.00002 1.95410 A44 1.90649 -0.00000 -0.00003 -0.00001 -0.00004 1.90644 A45 2.12977 0.00001 0.00004 0.00001 0.00005 2.12982 A46 1.84808 -0.00000 0.00002 -0.00001 0.00001 1.84809 A47 1.90815 -0.00000 0.00002 -0.00002 0.00000 1.90815 A48 1.74531 0.00000 -0.00003 0.00005 0.00002 1.74534 A49 2.17611 -0.00000 0.00000 -0.00003 -0.00003 2.17608 A50 1.86205 0.00000 -0.00003 0.00002 -0.00001 1.86204 A51 1.87654 0.00000 0.00001 0.00001 0.00002 1.87656 A52 1.86033 -0.00000 -0.00005 0.00002 -0.00002 1.86031 D1 2.74096 -0.00000 -0.00008 -0.00007 -0.00015 2.74081 D2 0.41233 0.00000 -0.00008 -0.00006 -0.00014 0.41219 D3 -1.57048 -0.00000 -0.00008 -0.00009 -0.00016 -1.57064 D4 0.85846 -0.00000 -0.00042 0.00011 -0.00031 0.85815 D5 -2.25051 0.00000 -0.00024 0.00010 -0.00014 -2.25066 D6 -3.04371 -0.00000 -0.00041 0.00008 -0.00033 -3.04404 D7 0.13051 0.00000 -0.00023 0.00007 -0.00016 0.13034 D8 -1.09882 -0.00000 -0.00043 0.00010 -0.00033 -1.09915 D9 2.07540 0.00000 -0.00025 0.00008 -0.00017 2.07523 D10 -0.03251 -0.00000 -0.00008 0.00001 -0.00007 -0.03257 D11 3.09362 -0.00000 -0.00005 -0.00001 -0.00005 3.09356 D12 -3.13992 0.00000 0.00011 0.00000 0.00011 -3.13982 D13 -0.01380 0.00000 0.00014 -0.00002 0.00012 -0.01368 D14 1.87596 0.00000 0.00089 -0.00009 0.00080 1.87676 D15 -2.36467 -0.00000 0.00086 -0.00012 0.00074 -2.36393 D16 -0.33066 0.00000 0.00088 -0.00009 0.00079 -0.32987 D17 -1.28050 0.00000 0.00092 -0.00011 0.00081 -1.27969 D18 0.76206 -0.00000 0.00089 -0.00014 0.00075 0.76281 D19 2.79606 0.00000 0.00091 -0.00011 0.00080 2.79687 D20 1.81907 0.00000 -0.00054 -0.00015 -0.00069 1.81838 D21 -2.38969 -0.00000 -0.00059 -0.00018 -0.00077 -2.39046 D22 -0.36173 -0.00000 -0.00060 -0.00016 -0.00076 -0.36250 D23 0.70097 -0.00000 0.00022 -0.00001 0.00020 0.70117 D24 -1.42518 -0.00000 0.00020 -0.00001 0.00020 -1.42499 D25 2.88571 -0.00000 0.00021 -0.00004 0.00018 2.88588 D26 -1.51111 0.00000 0.00024 0.00002 0.00026 -1.51085 D27 2.64592 0.00000 0.00023 0.00002 0.00025 2.64617 D28 0.67363 -0.00000 0.00024 -0.00001 0.00023 0.67386 D29 2.77119 0.00000 0.00029 0.00003 0.00032 2.77151 D30 0.64503 0.00000 0.00028 0.00003 0.00031 0.64534 D31 -1.32726 0.00000 0.00028 0.00001 0.00029 -1.32697 D32 1.96107 0.00001 0.00072 0.00027 0.00099 1.96207 D33 -2.24518 0.00001 0.00073 0.00022 0.00095 -2.24423 D34 -0.07861 0.00000 0.00066 0.00024 0.00090 -0.07771 D35 -3.11619 -0.00000 -0.00012 0.00011 -0.00000 -3.11620 D36 1.06426 0.00000 -0.00008 0.00012 0.00004 1.06430 D37 -1.02363 -0.00000 -0.00013 0.00012 -0.00000 -1.02363 D38 -1.05434 -0.00000 -0.00015 0.00004 -0.00012 -1.05445 D39 3.12612 -0.00000 -0.00012 0.00004 -0.00007 3.12605 D40 1.03823 -0.00000 -0.00016 0.00005 -0.00012 1.03811 D41 1.09404 0.00000 -0.00010 0.00003 -0.00007 1.09397 D42 -1.00869 0.00000 -0.00007 0.00004 -0.00003 -1.00872 D43 -3.09658 0.00000 -0.00011 0.00004 -0.00007 -3.09665 D44 0.48453 -0.00000 -0.00044 -0.00021 -0.00066 0.48387 D45 -1.55910 -0.00000 -0.00050 -0.00023 -0.00073 -1.55983 D46 2.58089 -0.00000 -0.00043 -0.00022 -0.00065 2.58024 D47 -1.53935 0.00000 -0.00041 -0.00018 -0.00058 -1.53993 D48 2.70022 -0.00000 -0.00046 -0.00019 -0.00066 2.69956 D49 0.55702 0.00000 -0.00039 -0.00019 -0.00057 0.55645 D50 2.59491 0.00000 -0.00042 -0.00014 -0.00056 2.59435 D51 0.55129 0.00000 -0.00048 -0.00015 -0.00063 0.55066 D52 -1.59191 0.00000 -0.00040 -0.00015 -0.00055 -1.59246 D53 -0.67683 0.00000 0.00010 0.00013 0.00022 -0.67661 D54 1.37341 0.00000 0.00012 0.00013 0.00026 1.37366 D55 -2.78406 0.00000 0.00009 0.00012 0.00021 -2.78385 D56 -2.79571 0.00000 0.00009 0.00012 0.00020 -2.79550 D57 -0.74547 -0.00000 0.00011 0.00013 0.00024 -0.74523 D58 1.38025 -0.00000 0.00008 0.00012 0.00020 1.38044 D59 1.34420 0.00000 0.00007 0.00015 0.00022 1.34442 D60 -2.88875 -0.00000 0.00010 0.00016 0.00026 -2.88849 D61 -0.76303 -0.00000 0.00007 0.00015 0.00022 -0.76282 D62 -1.71037 0.00000 0.00010 0.00020 0.00030 -1.71006 D63 0.49610 0.00000 0.00012 0.00019 0.00030 0.49640 D64 2.66963 0.00000 0.00015 0.00016 0.00031 2.66994 D65 -3.11564 -0.00000 0.00026 -0.00034 -0.00008 -3.11571 D66 0.78311 0.00000 0.00023 -0.00028 -0.00004 0.78307 D67 -1.18370 -0.00000 0.00023 -0.00030 -0.00008 -1.18378 D68 -1.50689 -0.00000 -0.00034 0.00005 -0.00029 -1.50718 D69 0.41405 0.00000 -0.00034 0.00006 -0.00028 0.41378 D70 2.78513 -0.00000 -0.00035 0.00004 -0.00031 2.78482 Item Value Threshold Converged? Maximum Force 0.000029 0.000450 YES RMS Force 0.000006 0.000300 YES Maximum Displacement 0.003441 0.001800 NO RMS Displacement 0.000806 0.001200 YES Predicted change in Energy=-1.812753D-08 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.602622 1.775195 -0.637660 2 8 0 2.590088 1.438461 -1.684712 3 8 0 0.591712 0.812162 -0.133234 4 8 0 0.760218 3.095429 -1.167990 5 6 0 2.497598 2.499482 0.780488 6 1 0 3.196702 3.286530 0.542314 7 6 0 2.348456 2.081689 2.026873 8 1 0 1.637697 1.291878 2.207546 9 6 0 3.053047 2.537503 3.288882 10 1 0 2.380393 3.116293 3.905887 11 8 0 3.417745 1.369571 4.029457 12 6 0 4.796134 1.098144 3.913393 13 1 0 5.251811 1.258818 4.886743 14 6 0 4.998451 -0.351083 3.495554 15 6 0 4.373224 3.290967 3.119089 16 1 0 4.359627 3.989796 2.296804 17 6 0 5.342315 2.131710 2.922148 18 1 0 5.279105 1.759132 1.905177 19 1 0 6.365509 2.418370 3.134275 20 8 0 4.737178 3.932093 4.316118 21 1 0 6.059014 -0.588665 3.424969 22 1 0 4.535759 -0.534041 2.531749 23 1 0 4.547928 -1.022440 4.221346 24 15 0 4.430367 5.517382 4.579364 25 8 0 4.986867 5.820675 5.911897 26 8 0 3.056165 5.823507 4.157553 27 8 0 5.448854 6.192433 3.477143 28 1 0 6.291200 6.274686 3.902203 29 1 0 -0.067786 3.092325 -0.707376 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478105 0.000000 3 O 1.484527 2.606308 0.000000 4 O 1.653454 2.522096 2.512454 0.000000 5 C 1.826668 2.685429 2.704503 2.677724 0.000000 6 H 2.493504 2.956854 3.655795 2.982970 1.079314 7 C 2.783872 3.774651 3.060051 3.709086 1.322978 8 H 2.886178 4.009764 2.608344 3.926450 2.057725 9 C 4.254713 5.114574 4.554761 5.043020 2.569438 10 H 4.800760 5.840710 4.982258 5.326315 3.187838 11 O 5.024061 5.774209 5.062130 6.087240 3.560782 12 C 5.600804 6.026710 5.842443 6.789567 4.130631 13 H 6.640953 7.092324 6.864124 7.759339 5.097673 14 C 5.756402 5.986471 5.825855 7.182597 4.663858 15 C 4.907847 5.448656 5.569731 5.609910 3.100561 16 H 4.595281 5.049064 5.495418 5.075474 2.826200 17 C 5.175387 5.410961 5.800413 6.217201 3.579717 18 H 4.470213 4.496771 5.198415 5.625867 3.090279 19 H 6.109522 6.199731 6.825925 7.098393 4.528535 20 O 6.246404 6.843841 6.834880 6.825808 4.423661 21 H 6.477053 6.500117 6.671919 7.921177 5.404962 22 H 4.897041 5.045289 4.946706 6.412162 4.052564 23 H 6.333366 6.691090 6.162773 7.768431 5.333600 24 P 7.015515 7.698239 7.686544 7.236569 5.222527 25 O 8.409263 9.091579 8.997010 8.684257 6.599859 26 O 6.441715 7.319694 7.042582 6.408993 4.771343 27 O 7.158009 7.577437 8.097776 7.290542 5.442403 28 H 7.927076 8.264437 8.866120 8.149005 6.195861 29 H 2.128369 3.279443 2.442073 0.947505 3.024301 6 7 8 9 10 6 H 0.000000 7 C 2.091669 0.000000 8 H 3.030204 1.077786 0.000000 9 C 2.850494 1.515547 2.173497 0.000000 10 H 3.465396 2.145255 2.600856 1.080813 0.000000 11 O 3.985444 2.379251 2.548327 1.430217 2.035290 12 C 4.325667 3.243061 3.594882 2.345234 3.147823 13 H 5.216240 4.157577 4.499001 3.003791 3.557715 14 C 5.019976 3.885599 3.956381 3.488731 4.364092 15 C 2.832665 2.599033 3.508615 1.529511 2.149637 16 H 2.219282 2.785416 3.833488 2.191010 2.696206 17 C 3.406005 3.125253 3.865251 2.353701 3.272633 18 H 2.920059 2.950857 3.683694 2.734197 3.774554 19 H 4.184890 4.180479 4.947729 3.318207 4.118693 20 O 4.126914 3.790861 4.585150 2.415862 2.527499 21 H 5.614238 4.780554 4.956471 4.339042 5.243114 22 H 4.510841 3.446917 3.440617 3.493718 4.456321 23 H 5.824801 4.391925 4.228581 3.972072 4.682609 24 P 4.774558 4.759575 5.592801 3.527327 3.228188 25 O 6.201532 6.002886 6.741599 4.625914 4.258105 26 O 4.418819 4.363697 5.133249 3.398885 2.801609 27 O 4.704220 5.349203 6.336580 4.374225 4.365995 28 H 5.458374 6.053372 7.025335 4.982803 5.026914 29 H 3.500904 3.786255 3.827147 5.100736 5.222677 11 12 13 14 15 11 O 0.000000 12 C 1.409646 0.000000 13 H 2.027561 1.086678 0.000000 14 C 2.396735 1.521769 2.142751 0.000000 15 C 2.330981 2.370284 2.833046 3.714454 0.000000 16 H 3.279452 3.341489 3.868077 4.548442 1.079212 17 C 2.347543 1.532691 2.151689 2.571245 1.523745 18 H 2.851138 2.168663 3.023375 2.657268 2.154233 19 H 3.254327 2.193846 2.378240 3.109540 2.175053 20 O 2.896480 2.863028 2.781521 4.368889 1.405839 21 H 3.343112 2.163041 2.490292 1.089137 4.241108 22 H 2.667738 2.154243 3.045172 1.084655 3.873251 23 H 2.652518 2.157155 2.478375 1.086492 4.455443 24 P 4.304897 4.484080 4.347944 5.994685 2.663192 25 O 5.081146 5.131539 4.683126 6.627929 3.817821 26 O 4.470424 5.041445 5.117516 6.506634 3.037567 27 O 5.262172 5.154429 5.134818 6.559025 3.115074 28 H 5.686219 5.388129 5.216184 6.762941 3.632420 29 H 6.128164 6.998999 7.934358 7.428892 5.865481 16 17 18 19 20 16 H 0.000000 17 C 2.192991 0.000000 18 H 2.444314 1.084915 0.000000 19 H 2.682219 1.083558 1.767923 0.000000 20 O 2.055116 2.355997 3.290605 2.517851 0.000000 21 H 5.012282 2.857784 2.903476 3.036561 4.793605 22 H 4.533356 2.812325 2.490742 3.525302 4.813616 23 H 5.372320 3.502518 3.692750 4.040358 4.959052 24 P 2.747473 3.878245 4.689998 3.928986 1.636023 25 O 4.100542 4.761659 5.712735 4.603425 2.485075 26 O 2.919572 4.514651 5.151098 4.857347 2.535428 27 O 2.726028 4.099858 4.706809 3.898894 2.513861 28 H 3.395438 4.361781 5.040107 3.932735 2.841487 29 H 5.425177 6.585242 6.098531 7.523283 7.002027 21 22 23 24 25 21 H 0.000000 22 H 1.766672 0.000000 23 H 1.762316 1.758812 0.000000 24 P 6.424090 6.389331 6.550669 0.000000 25 O 6.958013 7.211887 7.062496 1.475575 0.000000 26 O 7.118268 6.726876 7.006884 1.469717 2.608704 27 O 6.808694 6.853683 7.308892 1.645570 2.505925 28 H 6.883840 7.163691 7.509254 2.120083 2.438499 29 H 8.256127 6.695901 7.907490 7.352817 8.764028 26 27 28 29 26 O 0.000000 27 O 2.514761 0.000000 28 H 3.276311 0.947095 0.000000 29 H 6.394214 7.586448 8.474216 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.715501 -0.662715 0.138352 2 8 0 -4.204328 -0.359090 1.499842 3 8 0 -4.270490 -0.030547 -1.084828 4 8 0 -3.858793 -2.295598 -0.078610 5 6 0 -1.897561 -0.484527 0.130674 6 1 0 -1.372762 -0.989461 0.927259 7 6 0 -1.240077 0.241588 -0.758563 8 1 0 -1.814392 0.725303 -1.531742 9 6 0 0.244168 0.529949 -0.862224 10 1 0 0.674557 -0.012122 -1.692333 11 8 0 0.398162 1.925571 -1.134338 12 6 0 0.813934 2.629364 0.014100 13 1 0 1.825989 2.984935 -0.159627 14 6 0 -0.105507 3.819777 0.245023 15 6 0 1.089102 0.305774 0.392861 16 1 0 0.808641 -0.581371 0.939682 17 6 0 0.826910 1.601354 1.150836 18 1 0 -0.139779 1.559324 1.641535 19 1 0 1.593883 1.800853 1.889789 20 8 0 2.458060 0.286237 0.073553 21 1 0 0.214428 4.392496 1.114422 22 1 0 -1.124461 3.484149 0.404908 23 1 0 -0.096935 4.479802 -0.617971 24 15 0 3.280184 -1.112551 -0.136390 25 8 0 4.675079 -0.722794 -0.418664 26 8 0 2.482565 -2.025632 -0.967145 27 8 0 3.254120 -1.693163 1.403127 28 1 0 3.997633 -1.311494 1.848665 29 1 0 -3.897844 -2.442975 -1.013768 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5803204 0.1937697 0.1620197 Standard basis: 6-31G(d) (6D, 7F) There are 287 symmetry adapted cartesian basis functions of A symmetry. There are 287 symmetry adapted basis functions of A symmetry. 287 basis functions, 572 primitive gaussians, 287 cartesian basis functions 75 alpha electrons 75 beta electrons nuclear repulsion energy 1600.3970868929 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 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= 287 RedAO= T EigKep= 1.80D-03 NBF= 287 NBsUse= 287 1.00D-06 EigRej= -1.00D+00 NBFU= 287 Initial guess from the checkpoint file: "gau.chk" B after Tr= -0.000000 0.000000 0.000000 Rot= 1.000000 0.000043 0.000017 -0.000088 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) = -1552.57168858 A.U. after 7 cycles NFock= 7 Conv=0.73D-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 15 0.000014661 -0.000006956 0.000020591 2 8 -0.000000634 0.000002345 0.000001429 3 8 0.000002704 0.000005463 -0.000003458 4 8 -0.000004765 0.000007859 -0.000004231 5 6 -0.000015770 -0.000008666 -0.000009353 6 1 0.000002246 -0.000000712 -0.000002277 7 6 0.000000492 0.000004816 -0.000015195 8 1 -0.000000086 -0.000001724 0.000003486 9 6 0.000002367 -0.000005378 0.000011494 10 1 -0.000000374 0.000002165 -0.000002068 11 8 0.000002943 0.000006782 -0.000002863 12 6 0.000005057 -0.000005354 0.000006502 13 1 0.000000640 -0.000000853 -0.000000146 14 6 -0.000002112 0.000000216 -0.000002861 15 6 -0.000000387 0.000003380 0.000002027 16 1 -0.000001671 0.000000566 -0.000002666 17 6 -0.000005897 0.000002472 0.000001588 18 1 0.000001167 -0.000000848 -0.000000002 19 1 -0.000001056 -0.000000365 0.000001247 20 8 -0.000000076 0.000006506 -0.000002764 21 1 -0.000000008 0.000000666 -0.000000068 22 1 -0.000000148 -0.000001248 -0.000000598 23 1 0.000000594 -0.000000517 -0.000000016 24 15 0.000002164 -0.000005964 -0.000004355 25 8 0.000001572 0.000000120 0.000002322 26 8 0.000000320 -0.000000673 -0.000001835 27 8 -0.000003243 -0.000002758 0.000002631 28 1 -0.000000182 -0.000000559 0.000000306 29 1 -0.000000516 -0.000000782 0.000001134 ------------------------------------------------------------------- Cartesian Forces: Max 0.000020591 RMS 0.000004928 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Berny optimization. Using GEDIIS/GDIIS optimizer. FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4. Internal Forces: Max 0.000020756 RMS 0.000002664 Search for a local minimum. Step number 34 out of a maximum of 161 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 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 DE= -3.04D-08 DEPred=-1.81D-08 R= 1.68D+00 Trust test= 1.68D+00 RLast= 3.72D-03 DXMaxT set to 7.61D-01 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 1 1 1 1 0 1 0 Eigenvalues --- 0.00088 0.00205 0.00239 0.00268 0.00321 Eigenvalues --- 0.00363 0.00662 0.01111 0.02398 0.03106 Eigenvalues --- 0.03217 0.03473 0.03726 0.04304 0.04622 Eigenvalues --- 0.05286 0.05469 0.05497 0.05547 0.05623 Eigenvalues --- 0.06041 0.06530 0.06790 0.07744 0.08150 Eigenvalues --- 0.08362 0.08765 0.12357 0.13527 0.14270 Eigenvalues --- 0.15144 0.15401 0.15846 0.15917 0.16013 Eigenvalues --- 0.16071 0.16125 0.16169 0.16876 0.17487 Eigenvalues --- 0.18309 0.19999 0.20465 0.20917 0.21019 Eigenvalues --- 0.21341 0.22612 0.23901 0.25450 0.26377 Eigenvalues --- 0.26571 0.28221 0.28447 0.29601 0.30037 Eigenvalues --- 0.31257 0.33383 0.33516 0.33571 0.33662 Eigenvalues --- 0.33880 0.34484 0.34532 0.35189 0.36076 Eigenvalues --- 0.36216 0.37850 0.38681 0.39174 0.43029 Eigenvalues --- 0.45056 0.46110 0.48512 0.54687 0.57091 Eigenvalues --- 0.59705 0.62616 0.67082 0.69986 0.99061 Eigenvalues --- 1.01145 En-DIIS/RFO-DIIS/Sim-DIIS IScMMF= -3 using points: 34 33 32 31 30 29 28 27 26 25 RFO step: Lambda=-2.87703244D-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. RFO-DIIS uses 4 points instead of 10 DidBck=F Rises=F RFO-DIIS coefs: 1.20886 -0.04474 -0.44162 0.27750 0.00000 RFO-DIIS coefs: 0.00000 0.00000 0.00000 0.00000 0.00000 Iteration 1 RMS(Cart)= 0.00027878 RMS(Int)= 0.00000003 Iteration 2 RMS(Cart)= 0.00000004 RMS(Int)= 0.00000001 Variable Old X -DE/DX Delta X Delta X Delta X New X (Linear) (Quad) (Total) R1 2.79321 -0.00000 -0.00000 -0.00000 -0.00000 2.79321 R2 2.80535 -0.00001 -0.00001 -0.00000 -0.00001 2.80534 R3 3.12458 0.00001 0.00001 0.00002 0.00003 3.12460 R4 3.45190 -0.00002 0.00001 -0.00004 -0.00003 3.45187 R5 1.79053 0.00000 0.00000 0.00000 0.00000 1.79053 R6 2.03961 0.00000 -0.00000 0.00000 0.00000 2.03961 R7 2.50007 -0.00000 -0.00000 -0.00001 -0.00001 2.50006 R8 2.03672 0.00000 0.00000 0.00000 0.00000 2.03673 R9 2.86397 0.00001 0.00003 0.00000 0.00003 2.86400 R10 2.04244 0.00000 0.00000 -0.00000 -0.00000 2.04244 R11 2.70272 -0.00000 -0.00003 0.00000 -0.00003 2.70269 R12 2.89036 -0.00000 -0.00001 -0.00000 -0.00001 2.89034 R13 2.66384 0.00000 0.00001 0.00000 0.00001 2.66386 R14 2.05352 0.00000 -0.00000 0.00000 -0.00000 2.05352 R15 2.87573 0.00000 0.00001 0.00000 0.00001 2.87574 R16 2.89637 -0.00000 0.00002 -0.00000 0.00002 2.89639 R17 2.05817 -0.00000 0.00000 -0.00000 0.00000 2.05817 R18 2.04970 0.00000 -0.00000 0.00000 0.00000 2.04970 R19 2.05317 0.00000 0.00000 -0.00000 0.00000 2.05317 R20 2.03941 0.00000 0.00000 0.00000 0.00001 2.03942 R21 2.87946 -0.00000 -0.00001 0.00000 -0.00000 2.87946 R22 2.65665 -0.00000 -0.00001 -0.00000 -0.00002 2.65663 R23 2.05019 0.00000 -0.00000 -0.00000 -0.00000 2.05019 R24 2.04763 -0.00000 -0.00000 -0.00000 -0.00000 2.04763 R25 3.09164 -0.00001 -0.00000 -0.00001 -0.00001 3.09162 R26 2.78843 0.00000 -0.00000 0.00000 -0.00000 2.78843 R27 2.77736 0.00000 -0.00000 0.00000 -0.00000 2.77736 R28 3.10968 -0.00001 -0.00001 -0.00000 -0.00002 3.10966 R29 1.78975 -0.00000 0.00000 -0.00000 0.00000 1.78975 A1 2.15057 0.00000 0.00000 0.00000 0.00001 2.15058 A2 1.87032 -0.00000 0.00000 -0.00000 0.00000 1.87032 A3 1.88911 -0.00000 -0.00001 -0.00000 -0.00001 1.88910 A4 1.85462 -0.00000 -0.00001 -0.00001 -0.00002 1.85460 A5 1.90399 0.00000 -0.00000 0.00002 0.00002 1.90400 A6 1.75385 0.00000 0.00001 -0.00001 0.00001 1.75385 A7 1.86156 -0.00000 -0.00001 -0.00001 -0.00003 1.86154 A8 2.02103 -0.00000 -0.00002 -0.00000 -0.00002 2.02101 A9 2.15431 0.00000 0.00000 0.00001 0.00001 2.15433 A10 2.10738 -0.00000 0.00001 -0.00001 0.00000 2.10738 A11 2.05295 0.00000 0.00000 0.00001 0.00001 2.05296 A12 2.26154 0.00000 0.00001 -0.00001 0.00001 2.26155 A13 1.96860 -0.00000 -0.00002 -0.00000 -0.00002 1.96859 A14 1.92526 0.00000 -0.00003 0.00001 -0.00002 1.92525 A15 1.87982 0.00000 0.00003 0.00000 0.00004 1.87985 A16 2.04541 -0.00000 0.00001 -0.00003 -0.00002 2.04540 A17 1.87591 0.00000 -0.00001 0.00002 0.00001 1.87592 A18 1.91426 0.00000 0.00001 0.00001 0.00001 1.91427 A19 1.81282 0.00000 -0.00001 -0.00001 -0.00002 1.81280 A20 1.94330 0.00000 -0.00001 0.00001 0.00000 1.94330 A21 1.88369 0.00000 -0.00004 0.00002 -0.00002 1.88367 A22 1.91344 0.00000 0.00003 -0.00000 0.00003 1.91347 A23 1.84612 -0.00000 0.00001 -0.00001 -0.00000 1.84612 A24 1.90816 0.00000 0.00000 0.00001 0.00001 1.90817 A25 1.90726 0.00000 0.00004 -0.00001 0.00003 1.90729 A26 2.00121 -0.00000 -0.00004 -0.00000 -0.00005 2.00117 A27 1.93370 -0.00000 -0.00002 0.00000 -0.00002 1.93369 A28 1.92613 0.00000 0.00000 0.00001 0.00001 1.92615 A29 1.92827 0.00000 0.00002 -0.00001 0.00001 1.92828 A30 1.89759 -0.00000 -0.00000 -0.00000 -0.00001 1.89758 A31 1.88839 -0.00000 -0.00000 -0.00000 -0.00000 1.88839 A32 1.88859 -0.00000 0.00000 -0.00000 0.00000 1.88859 A33 1.97436 -0.00000 0.00001 -0.00001 -0.00000 1.97435 A34 1.76045 -0.00000 -0.00001 0.00000 -0.00001 1.76043 A35 1.93220 0.00000 -0.00001 0.00002 0.00001 1.93221 A36 1.98469 0.00000 0.00000 -0.00000 -0.00000 1.98469 A37 1.93555 0.00000 0.00000 0.00001 0.00001 1.93556 A38 1.86749 -0.00000 0.00001 -0.00001 -0.00000 1.86749 A39 1.77503 0.00000 0.00003 0.00002 0.00005 1.77508 A40 1.93252 -0.00000 -0.00001 0.00000 -0.00001 1.93251 A41 1.96957 -0.00000 -0.00001 -0.00001 -0.00002 1.96955 A42 1.92343 -0.00000 0.00001 -0.00000 0.00001 1.92344 A43 1.95410 -0.00000 -0.00001 -0.00000 -0.00001 1.95409 A44 1.90644 0.00000 -0.00002 0.00000 -0.00002 1.90643 A45 2.12982 -0.00000 0.00001 -0.00001 -0.00000 2.12982 A46 1.84809 0.00000 0.00001 -0.00000 0.00001 1.84809 A47 1.90815 -0.00000 0.00000 -0.00000 0.00000 1.90816 A48 1.74534 -0.00000 0.00000 -0.00001 -0.00001 1.74533 A49 2.17608 0.00000 -0.00000 0.00001 0.00000 2.17609 A50 1.86204 0.00000 -0.00001 0.00000 -0.00001 1.86203 A51 1.87656 -0.00000 0.00000 -0.00000 -0.00000 1.87656 A52 1.86031 -0.00000 -0.00001 0.00000 -0.00001 1.86030 D1 2.74081 0.00000 -0.00000 -0.00006 -0.00006 2.74074 D2 0.41219 0.00000 -0.00001 -0.00005 -0.00006 0.41213 D3 -1.57064 -0.00000 -0.00001 -0.00007 -0.00007 -1.57072 D4 0.85815 -0.00000 -0.00016 0.00006 -0.00010 0.85804 D5 -2.25066 -0.00000 -0.00012 0.00009 -0.00003 -2.25069 D6 -3.04404 0.00000 -0.00016 0.00007 -0.00009 -3.04413 D7 0.13034 0.00000 -0.00013 0.00011 -0.00002 0.13032 D8 -1.09915 -0.00000 -0.00016 0.00006 -0.00010 -1.09925 D9 2.07523 0.00000 -0.00013 0.00010 -0.00003 2.07520 D10 -0.03257 -0.00000 -0.00000 -0.00004 -0.00004 -0.03261 D11 3.09356 -0.00000 0.00001 -0.00004 -0.00004 3.09353 D12 -3.13982 0.00000 0.00003 -0.00000 0.00003 -3.13978 D13 -0.01368 0.00000 0.00004 -0.00001 0.00003 -0.01365 D14 1.87676 -0.00000 0.00018 -0.00017 0.00001 1.87677 D15 -2.36393 0.00000 0.00017 -0.00014 0.00003 -2.36390 D16 -0.32987 0.00000 0.00019 -0.00017 0.00002 -0.32985 D17 -1.27969 -0.00000 0.00019 -0.00018 0.00001 -1.27968 D18 0.76281 0.00000 0.00018 -0.00015 0.00003 0.76284 D19 2.79687 -0.00000 0.00020 -0.00017 0.00002 2.79689 D20 1.81838 -0.00000 -0.00027 -0.00008 -0.00035 1.81803 D21 -2.39046 -0.00000 -0.00029 -0.00005 -0.00034 -2.39080 D22 -0.36250 -0.00000 -0.00029 -0.00004 -0.00034 -0.36283 D23 0.70117 -0.00000 0.00008 0.00001 0.00010 0.70127 D24 -1.42499 -0.00000 0.00008 0.00002 0.00011 -1.42488 D25 2.88588 -0.00000 0.00008 0.00003 0.00011 2.88599 D26 -1.51085 0.00000 0.00011 0.00002 0.00012 -1.51073 D27 2.64617 0.00000 0.00011 0.00003 0.00013 2.64631 D28 0.67386 0.00000 0.00010 0.00004 0.00014 0.67400 D29 2.77151 -0.00000 0.00012 -0.00001 0.00012 2.77162 D30 0.64534 -0.00000 0.00012 0.00000 0.00013 0.64547 D31 -1.32697 -0.00000 0.00012 0.00001 0.00013 -1.32684 D32 1.96207 0.00000 0.00037 0.00005 0.00043 1.96249 D33 -2.24423 0.00000 0.00037 0.00007 0.00044 -2.24378 D34 -0.07771 0.00000 0.00034 0.00006 0.00040 -0.07731 D35 -3.11620 -0.00000 -0.00003 -0.00007 -0.00011 -3.11630 D36 1.06430 -0.00000 -0.00002 -0.00008 -0.00009 1.06421 D37 -1.02363 -0.00000 -0.00004 -0.00008 -0.00011 -1.02374 D38 -1.05445 0.00000 -0.00006 -0.00004 -0.00011 -1.05456 D39 3.12605 0.00000 -0.00005 -0.00005 -0.00010 3.12595 D40 1.03811 -0.00000 -0.00007 -0.00005 -0.00011 1.03800 D41 1.09397 0.00000 -0.00004 -0.00005 -0.00009 1.09387 D42 -1.00872 0.00000 -0.00002 -0.00006 -0.00008 -1.00880 D43 -3.09665 0.00000 -0.00004 -0.00006 -0.00010 -3.09675 D44 0.48387 -0.00000 -0.00024 -0.00005 -0.00029 0.48358 D45 -1.55983 -0.00000 -0.00027 -0.00005 -0.00033 -1.56015 D46 2.58024 -0.00000 -0.00024 -0.00005 -0.00029 2.57996 D47 -1.53993 -0.00000 -0.00022 -0.00006 -0.00029 -1.54022 D48 2.69956 -0.00000 -0.00025 -0.00007 -0.00032 2.69924 D49 0.55645 0.00000 -0.00022 -0.00006 -0.00028 0.55617 D50 2.59435 -0.00000 -0.00022 -0.00006 -0.00029 2.59406 D51 0.55066 -0.00000 -0.00025 -0.00007 -0.00032 0.55033 D52 -1.59246 -0.00000 -0.00022 -0.00006 -0.00028 -1.59274 D53 -0.67661 0.00000 0.00007 0.00002 0.00009 -0.67652 D54 1.37366 0.00000 0.00009 0.00003 0.00012 1.37378 D55 -2.78385 0.00000 0.00007 0.00002 0.00010 -2.78375 D56 -2.79550 0.00000 0.00007 0.00003 0.00011 -2.79540 D57 -0.74523 0.00000 0.00009 0.00004 0.00013 -0.74510 D58 1.38044 0.00000 0.00007 0.00004 0.00011 1.38055 D59 1.34442 0.00000 0.00006 0.00004 0.00010 1.34452 D60 -2.88849 -0.00000 0.00007 0.00005 0.00012 -2.88837 D61 -0.76282 -0.00000 0.00006 0.00004 0.00010 -0.76272 D62 -1.71006 -0.00000 -0.00008 0.00013 0.00005 -1.71001 D63 0.49640 -0.00000 -0.00008 0.00014 0.00006 0.49646 D64 2.66994 0.00000 -0.00007 0.00013 0.00006 2.67000 D65 -3.11571 0.00000 0.00008 -0.00016 -0.00008 -3.11579 D66 0.78307 -0.00000 0.00008 -0.00017 -0.00009 0.78298 D67 -1.18378 -0.00000 0.00008 -0.00016 -0.00008 -1.18386 D68 -1.50718 -0.00000 -0.00013 0.00006 -0.00007 -1.50725 D69 0.41378 -0.00000 -0.00012 0.00005 -0.00007 0.41371 D70 2.78482 0.00000 -0.00013 0.00006 -0.00007 2.78475 Item Value Threshold Converged? Maximum Force 0.000021 0.000450 YES RMS Force 0.000003 0.000300 YES Maximum Displacement 0.001412 0.001800 YES RMS Displacement 0.000279 0.001200 YES Predicted change in Energy=-4.116429D-09 Optimization completed. -- Stationary point found. ---------------------------- ! Optimized Parameters ! ! (Angstroms and Degrees) ! -------------------------- -------------------------- ! Name Definition Value Derivative Info. ! -------------------------------------------------------------------------------- ! R1 R(1,2) 1.4781 -DE/DX = 0.0 ! ! R2 R(1,3) 1.4845 -DE/DX = 0.0 ! ! R3 R(1,4) 1.6535 -DE/DX = 0.0 ! ! R4 R(1,5) 1.8267 -DE/DX = 0.0 ! ! R5 R(4,29) 0.9475 -DE/DX = 0.0 ! ! R6 R(5,6) 1.0793 -DE/DX = 0.0 ! ! R7 R(5,7) 1.323 -DE/DX = 0.0 ! ! R8 R(7,8) 1.0778 -DE/DX = 0.0 ! ! R9 R(7,9) 1.5155 -DE/DX = 0.0 ! ! R10 R(9,10) 1.0808 -DE/DX = 0.0 ! ! R11 R(9,11) 1.4302 -DE/DX = 0.0 ! ! R12 R(9,15) 1.5295 -DE/DX = 0.0 ! ! R13 R(11,12) 1.4096 -DE/DX = 0.0 ! ! R14 R(12,13) 1.0867 -DE/DX = 0.0 ! ! R15 R(12,14) 1.5218 -DE/DX = 0.0 ! ! R16 R(12,17) 1.5327 -DE/DX = 0.0 ! ! R17 R(14,21) 1.0891 -DE/DX = 0.0 ! ! R18 R(14,22) 1.0847 -DE/DX = 0.0 ! ! R19 R(14,23) 1.0865 -DE/DX = 0.0 ! ! R20 R(15,16) 1.0792 -DE/DX = 0.0 ! ! R21 R(15,17) 1.5237 -DE/DX = 0.0 ! ! R22 R(15,20) 1.4058 -DE/DX = 0.0 ! ! R23 R(17,18) 1.0849 -DE/DX = 0.0 ! ! R24 R(17,19) 1.0836 -DE/DX = 0.0 ! ! R25 R(20,24) 1.636 -DE/DX = 0.0 ! ! R26 R(24,25) 1.4756 -DE/DX = 0.0 ! ! R27 R(24,26) 1.4697 -DE/DX = 0.0 ! ! R28 R(24,27) 1.6456 -DE/DX = 0.0 ! ! R29 R(27,28) 0.9471 -DE/DX = 0.0 ! ! A1 A(2,1,3) 123.2188 -DE/DX = 0.0 ! ! A2 A(2,1,4) 107.1614 -DE/DX = 0.0 ! ! A3 A(2,1,5) 108.2381 -DE/DX = 0.0 ! ! A4 A(3,1,4) 106.2617 -DE/DX = 0.0 ! ! A5 A(3,1,5) 109.0904 -DE/DX = 0.0 ! ! A6 A(4,1,5) 100.4881 -DE/DX = 0.0 ! ! A7 A(1,4,29) 106.6597 -DE/DX = 0.0 ! ! A8 A(1,5,6) 115.7963 -DE/DX = 0.0 ! ! A9 A(1,5,7) 123.4331 -DE/DX = 0.0 ! ! A10 A(6,5,7) 120.7437 -DE/DX = 0.0 ! ! A11 A(5,7,8) 117.6255 -DE/DX = 0.0 ! ! A12 A(5,7,9) 129.5767 -DE/DX = 0.0 ! ! A13 A(8,7,9) 112.7927 -DE/DX = 0.0 ! ! A14 A(7,9,10) 110.3094 -DE/DX = 0.0 ! ! A15 A(7,9,11) 107.7057 -DE/DX = 0.0 ! ! A16 A(7,9,15) 117.1936 -DE/DX = 0.0 ! ! A17 A(10,9,11) 107.4819 -DE/DX = 0.0 ! ! A18 A(10,9,15) 109.6791 -DE/DX = 0.0 ! ! A19 A(11,9,15) 103.8667 -DE/DX = 0.0 ! ! A20 A(9,11,12) 111.3427 -DE/DX = 0.0 ! ! A21 A(11,12,13) 107.9275 -DE/DX = 0.0 ! ! A22 A(11,12,14) 109.6321 -DE/DX = 0.0 ! ! A23 A(11,12,17) 105.7747 -DE/DX = 0.0 ! ! A24 A(13,12,14) 109.3295 -DE/DX = 0.0 ! ! A25 A(13,12,17) 109.2779 -DE/DX = 0.0 ! ! A26 A(14,12,17) 114.661 -DE/DX = 0.0 ! ! A27 A(12,14,21) 110.7931 -DE/DX = 0.0 ! ! A28 A(12,14,22) 110.3593 -DE/DX = 0.0 ! ! A29 A(12,14,23) 110.4817 -DE/DX = 0.0 ! ! A30 A(21,14,22) 108.7237 -DE/DX = 0.0 ! ! A31 A(21,14,23) 108.1968 -DE/DX = 0.0 ! ! A32 A(22,14,23) 108.2082 -DE/DX = 0.0 ! ! A33 A(9,15,16) 113.1224 -DE/DX = 0.0 ! ! A34 A(9,15,17) 100.8662 -DE/DX = 0.0 ! ! A35 A(9,15,20) 110.7069 -DE/DX = 0.0 ! ! A36 A(16,15,17) 113.7143 -DE/DX = 0.0 ! ! A37 A(16,15,20) 110.8987 -DE/DX = 0.0 ! ! A38 A(17,15,20) 106.9991 -DE/DX = 0.0 ! ! A39 A(12,17,15) 101.7015 -DE/DX = 0.0 ! ! A40 A(12,17,18) 110.7253 -DE/DX = 0.0 ! ! A41 A(12,17,19) 112.8483 -DE/DX = 0.0 ! ! A42 A(15,17,18) 110.2043 -DE/DX = 0.0 ! ! A43 A(15,17,19) 111.9618 -DE/DX = 0.0 ! ! A44 A(18,17,19) 109.231 -DE/DX = 0.0 ! ! A45 A(15,20,24) 122.0297 -DE/DX = 0.0 ! ! A46 A(20,24,25) 105.8875 -DE/DX = 0.0 ! ! A47 A(20,24,26) 109.3292 -DE/DX = 0.0 ! ! A48 A(20,24,27) 100.0004 -DE/DX = 0.0 ! ! A49 A(25,24,26) 124.6804 -DE/DX = 0.0 ! ! A50 A(25,24,27) 106.6868 -DE/DX = 0.0 ! ! A51 A(26,24,27) 107.519 -DE/DX = 0.0 ! ! A52 A(24,27,28) 106.5879 -DE/DX = 0.0 ! ! D1 D(2,1,4,29) 157.0366 -DE/DX = 0.0 ! ! D2 D(3,1,4,29) 23.6168 -DE/DX = 0.0 ! ! D3 D(5,1,4,29) -89.9913 -DE/DX = 0.0 ! ! D4 D(2,1,5,6) 49.1682 -DE/DX = 0.0 ! ! D5 D(2,1,5,7) -128.9531 -DE/DX = 0.0 ! ! D6 D(3,1,5,6) -174.4105 -DE/DX = 0.0 ! ! D7 D(3,1,5,7) 7.4681 -DE/DX = 0.0 ! ! D8 D(4,1,5,6) -62.9768 -DE/DX = 0.0 ! ! D9 D(4,1,5,7) 118.9019 -DE/DX = 0.0 ! ! D10 D(1,5,7,8) -1.8663 -DE/DX = 0.0 ! ! D11 D(1,5,7,9) 177.2481 -DE/DX = 0.0 ! ! D12 D(6,5,7,8) -179.8982 -DE/DX = 0.0 ! ! D13 D(6,5,7,9) -0.7838 -DE/DX = 0.0 ! ! D14 D(5,7,9,10) 107.5304 -DE/DX = 0.0 ! ! D15 D(5,7,9,11) -135.4433 -DE/DX = 0.0 ! ! D16 D(5,7,9,15) -18.9001 -DE/DX = 0.0 ! ! D17 D(8,7,9,10) -73.3207 -DE/DX = 0.0 ! ! D18 D(8,7,9,11) 43.7056 -DE/DX = 0.0 ! ! D19 D(8,7,9,15) 160.2488 -DE/DX = 0.0 ! ! D20 D(7,9,11,12) 104.1854 -DE/DX = 0.0 ! ! D21 D(10,9,11,12) -136.9632 -DE/DX = 0.0 ! ! D22 D(15,9,11,12) -20.7696 -DE/DX = 0.0 ! ! D23 D(7,9,15,16) 40.1743 -DE/DX = 0.0 ! ! D24 D(7,9,15,17) -81.6459 -DE/DX = 0.0 ! ! D25 D(7,9,15,20) 165.349 -DE/DX = 0.0 ! ! D26 D(10,9,15,16) -86.5652 -DE/DX = 0.0 ! ! D27 D(10,9,15,17) 151.6146 -DE/DX = 0.0 ! ! D28 D(10,9,15,20) 38.6094 -DE/DX = 0.0 ! ! D29 D(11,9,15,16) 158.7957 -DE/DX = 0.0 ! ! D30 D(11,9,15,17) 36.9754 -DE/DX = 0.0 ! ! D31 D(11,9,15,20) -76.0297 -DE/DX = 0.0 ! ! D32 D(9,11,12,13) 112.4181 -DE/DX = 0.0 ! ! D33 D(9,11,12,14) -128.5846 -DE/DX = 0.0 ! ! D34 D(9,11,12,17) -4.4522 -DE/DX = 0.0 ! ! D35 D(11,12,14,21) -178.5449 -DE/DX = 0.0 ! ! D36 D(11,12,14,22) 60.9801 -DE/DX = 0.0 ! ! D37 D(11,12,14,23) -58.6496 -DE/DX = 0.0 ! ! D38 D(13,12,14,21) -60.4158 -DE/DX = 0.0 ! ! D39 D(13,12,14,22) 179.1092 -DE/DX = 0.0 ! ! D40 D(13,12,14,23) 59.4795 -DE/DX = 0.0 ! ! D41 D(17,12,14,21) 62.6796 -DE/DX = 0.0 ! ! D42 D(17,12,14,22) -57.7954 -DE/DX = 0.0 ! ! D43 D(17,12,14,23) -177.4251 -DE/DX = 0.0 ! ! D44 D(11,12,17,15) 27.7237 -DE/DX = 0.0 ! ! D45 D(11,12,17,18) -89.3715 -DE/DX = 0.0 ! ! D46 D(11,12,17,19) 147.8371 -DE/DX = 0.0 ! ! D47 D(13,12,17,15) -88.2315 -DE/DX = 0.0 ! ! D48 D(13,12,17,18) 154.6734 -DE/DX = 0.0 ! ! D49 D(13,12,17,19) 31.882 -DE/DX = 0.0 ! ! D50 D(14,12,17,15) 148.6454 -DE/DX = 0.0 ! ! D51 D(14,12,17,18) 31.5503 -DE/DX = 0.0 ! ! D52 D(14,12,17,19) -91.2411 -DE/DX = 0.0 ! ! D53 D(9,15,17,12) -38.7669 -DE/DX = 0.0 ! ! D54 D(9,15,17,18) 78.7052 -DE/DX = 0.0 ! ! D55 D(9,15,17,19) -159.5027 -DE/DX = 0.0 ! ! D56 D(16,15,17,12) -160.1706 -DE/DX = 0.0 ! ! D57 D(16,15,17,18) -42.6985 -DE/DX = 0.0 ! ! D58 D(16,15,17,19) 79.0936 -DE/DX = 0.0 ! ! D59 D(20,15,17,12) 77.0296 -DE/DX = 0.0 ! ! D60 D(20,15,17,18) -165.4983 -DE/DX = 0.0 ! ! D61 D(20,15,17,19) -43.7062 -DE/DX = 0.0 ! ! D62 D(9,15,20,24) -97.9794 -DE/DX = 0.0 ! ! D63 D(16,15,20,24) 28.4418 -DE/DX = 0.0 ! ! D64 D(17,15,20,24) 152.9761 -DE/DX = 0.0 ! ! D65 D(15,20,24,25) -178.5172 -DE/DX = 0.0 ! ! D66 D(15,20,24,26) 44.8664 -DE/DX = 0.0 ! ! D67 D(15,20,24,27) -67.8256 -DE/DX = 0.0 ! ! D68 D(20,24,27,28) -86.3552 -DE/DX = 0.0 ! ! D69 D(25,24,27,28) 23.7077 -DE/DX = 0.0 ! ! D70 D(26,24,27,28) 159.5585 -DE/DX = 0.0 ! -------------------------------------------------------------------------------- GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 1.602622 1.775195 -0.637660 2 8 0 2.590088 1.438461 -1.684712 3 8 0 0.591712 0.812162 -0.133234 4 8 0 0.760218 3.095429 -1.167990 5 6 0 2.497598 2.499482 0.780488 6 1 0 3.196702 3.286530 0.542314 7 6 0 2.348456 2.081689 2.026873 8 1 0 1.637697 1.291878 2.207546 9 6 0 3.053047 2.537503 3.288882 10 1 0 2.380393 3.116293 3.905887 11 8 0 3.417745 1.369571 4.029457 12 6 0 4.796134 1.098144 3.913393 13 1 0 5.251811 1.258818 4.886743 14 6 0 4.998451 -0.351083 3.495554 15 6 0 4.373224 3.290967 3.119089 16 1 0 4.359627 3.989796 2.296804 17 6 0 5.342315 2.131710 2.922148 18 1 0 5.279105 1.759132 1.905177 19 1 0 6.365509 2.418370 3.134275 20 8 0 4.737178 3.932093 4.316118 21 1 0 6.059014 -0.588665 3.424969 22 1 0 4.535759 -0.534041 2.531749 23 1 0 4.547928 -1.022440 4.221346 24 15 0 4.430367 5.517382 4.579364 25 8 0 4.986867 5.820675 5.911897 26 8 0 3.056165 5.823507 4.157553 27 8 0 5.448854 6.192433 3.477143 28 1 0 6.291200 6.274686 3.902203 29 1 0 -0.067786 3.092325 -0.707376 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 P 0.000000 2 O 1.478105 0.000000 3 O 1.484527 2.606308 0.000000 4 O 1.653454 2.522096 2.512454 0.000000 5 C 1.826668 2.685429 2.704503 2.677724 0.000000 6 H 2.493504 2.956854 3.655795 2.982970 1.079314 7 C 2.783872 3.774651 3.060051 3.709086 1.322978 8 H 2.886178 4.009764 2.608344 3.926450 2.057725 9 C 4.254713 5.114574 4.554761 5.043020 2.569438 10 H 4.800760 5.840710 4.982258 5.326315 3.187838 11 O 5.024061 5.774209 5.062130 6.087240 3.560782 12 C 5.600804 6.026710 5.842443 6.789567 4.130631 13 H 6.640953 7.092324 6.864124 7.759339 5.097673 14 C 5.756402 5.986471 5.825855 7.182597 4.663858 15 C 4.907847 5.448656 5.569731 5.609910 3.100561 16 H 4.595281 5.049064 5.495418 5.075474 2.826200 17 C 5.175387 5.410961 5.800413 6.217201 3.579717 18 H 4.470213 4.496771 5.198415 5.625867 3.090279 19 H 6.109522 6.199731 6.825925 7.098393 4.528535 20 O 6.246404 6.843841 6.834880 6.825808 4.423661 21 H 6.477053 6.500117 6.671919 7.921177 5.404962 22 H 4.897041 5.045289 4.946706 6.412162 4.052564 23 H 6.333366 6.691090 6.162773 7.768431 5.333600 24 P 7.015515 7.698239 7.686544 7.236569 5.222527 25 O 8.409263 9.091579 8.997010 8.684257 6.599859 26 O 6.441715 7.319694 7.042582 6.408993 4.771343 27 O 7.158009 7.577437 8.097776 7.290542 5.442403 28 H 7.927076 8.264437 8.866120 8.149005 6.195861 29 H 2.128369 3.279443 2.442073 0.947505 3.024301 6 7 8 9 10 6 H 0.000000 7 C 2.091669 0.000000 8 H 3.030204 1.077786 0.000000 9 C 2.850494 1.515547 2.173497 0.000000 10 H 3.465396 2.145255 2.600856 1.080813 0.000000 11 O 3.985444 2.379251 2.548327 1.430217 2.035290 12 C 4.325667 3.243061 3.594882 2.345234 3.147823 13 H 5.216240 4.157577 4.499001 3.003791 3.557715 14 C 5.019976 3.885599 3.956381 3.488731 4.364092 15 C 2.832665 2.599033 3.508615 1.529511 2.149637 16 H 2.219282 2.785416 3.833488 2.191010 2.696206 17 C 3.406005 3.125253 3.865251 2.353701 3.272633 18 H 2.920059 2.950857 3.683694 2.734197 3.774554 19 H 4.184890 4.180479 4.947729 3.318207 4.118693 20 O 4.126914 3.790861 4.585150 2.415862 2.527499 21 H 5.614238 4.780554 4.956471 4.339042 5.243114 22 H 4.510841 3.446917 3.440617 3.493718 4.456321 23 H 5.824801 4.391925 4.228581 3.972072 4.682609 24 P 4.774558 4.759575 5.592801 3.527327 3.228188 25 O 6.201532 6.002886 6.741599 4.625914 4.258105 26 O 4.418819 4.363697 5.133249 3.398885 2.801609 27 O 4.704220 5.349203 6.336580 4.374225 4.365995 28 H 5.458374 6.053372 7.025335 4.982803 5.026914 29 H 3.500904 3.786255 3.827147 5.100736 5.222677 11 12 13 14 15 11 O 0.000000 12 C 1.409646 0.000000 13 H 2.027561 1.086678 0.000000 14 C 2.396735 1.521769 2.142751 0.000000 15 C 2.330981 2.370284 2.833046 3.714454 0.000000 16 H 3.279452 3.341489 3.868077 4.548442 1.079212 17 C 2.347543 1.532691 2.151689 2.571245 1.523745 18 H 2.851138 2.168663 3.023375 2.657268 2.154233 19 H 3.254327 2.193846 2.378240 3.109540 2.175053 20 O 2.896480 2.863028 2.781521 4.368889 1.405839 21 H 3.343112 2.163041 2.490292 1.089137 4.241108 22 H 2.667738 2.154243 3.045172 1.084655 3.873251 23 H 2.652518 2.157155 2.478375 1.086492 4.455443 24 P 4.304897 4.484080 4.347944 5.994685 2.663192 25 O 5.081146 5.131539 4.683126 6.627929 3.817821 26 O 4.470424 5.041445 5.117516 6.506634 3.037567 27 O 5.262172 5.154429 5.134818 6.559025 3.115074 28 H 5.686219 5.388129 5.216184 6.762941 3.632420 29 H 6.128164 6.998999 7.934358 7.428892 5.865481 16 17 18 19 20 16 H 0.000000 17 C 2.192991 0.000000 18 H 2.444314 1.084915 0.000000 19 H 2.682219 1.083558 1.767923 0.000000 20 O 2.055116 2.355997 3.290605 2.517851 0.000000 21 H 5.012282 2.857784 2.903476 3.036561 4.793605 22 H 4.533356 2.812325 2.490742 3.525302 4.813616 23 H 5.372320 3.502518 3.692750 4.040358 4.959052 24 P 2.747473 3.878245 4.689998 3.928986 1.636023 25 O 4.100542 4.761659 5.712735 4.603425 2.485075 26 O 2.919572 4.514651 5.151098 4.857347 2.535428 27 O 2.726028 4.099858 4.706809 3.898894 2.513861 28 H 3.395438 4.361781 5.040107 3.932735 2.841487 29 H 5.425177 6.585242 6.098531 7.523283 7.002027 21 22 23 24 25 21 H 0.000000 22 H 1.766672 0.000000 23 H 1.762316 1.758812 0.000000 24 P 6.424090 6.389331 6.550669 0.000000 25 O 6.958013 7.211887 7.062496 1.475575 0.000000 26 O 7.118268 6.726876 7.006884 1.469717 2.608704 27 O 6.808694 6.853683 7.308892 1.645570 2.505925 28 H 6.883840 7.163691 7.509254 2.120083 2.438499 29 H 8.256127 6.695901 7.907490 7.352817 8.764028 26 27 28 29 26 O 0.000000 27 O 2.514761 0.000000 28 H 3.276311 0.947095 0.000000 29 H 6.394214 7.586448 8.474216 0.000000 Stoichiometry C7H12O8P2(2-) Framework group C1[X(C7H12O8P2)] Deg. of freedom 81 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 15 0 -3.715501 -0.662715 0.138352 2 8 0 -4.204328 -0.359090 1.499842 3 8 0 -4.270490 -0.030547 -1.084828 4 8 0 -3.858793 -2.295598 -0.078610 5 6 0 -1.897561 -0.484527 0.130674 6 1 0 -1.372762 -0.989461 0.927259 7 6 0 -1.240077 0.241588 -0.758563 8 1 0 -1.814392 0.725303 -1.531742 9 6 0 0.244168 0.529949 -0.862224 10 1 0 0.674557 -0.012122 -1.692333 11 8 0 0.398162 1.925571 -1.134338 12 6 0 0.813934 2.629364 0.014100 13 1 0 1.825989 2.984935 -0.159627 14 6 0 -0.105507 3.819777 0.245023 15 6 0 1.089102 0.305774 0.392861 16 1 0 0.808641 -0.581371 0.939682 17 6 0 0.826910 1.601354 1.150836 18 1 0 -0.139779 1.559324 1.641535 19 1 0 1.593883 1.800853 1.889789 20 8 0 2.458060 0.286237 0.073553 21 1 0 0.214428 4.392496 1.114422 22 1 0 -1.124461 3.484149 0.404908 23 1 0 -0.096935 4.479802 -0.617971 24 15 0 3.280184 -1.112551 -0.136390 25 8 0 4.675079 -0.722794 -0.418664 26 8 0 2.482565 -2.025632 -0.967145 27 8 0 3.254120 -1.693163 1.403127 28 1 0 3.997633 -1.311494 1.848665 29 1 0 -3.897844 -2.442975 -1.013768 --------------------------------------------------------------------- Rotational constants (GHZ): 0.5803204 0.1937697 0.1620197 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -79.80441 -79.77033 -20.34171 -20.33327 -20.32654 Alpha occ. eigenvalues -- -20.31823 -20.23426 -20.23164 -20.22121 -20.21829 Alpha occ. eigenvalues -- -11.07677 -11.06342 -11.05488 -11.03137 -11.01565 Alpha occ. eigenvalues -- -10.99874 -10.98082 -7.32775 -7.29661 -5.22648 Alpha occ. eigenvalues -- -5.22592 -5.22532 -5.19533 -5.19431 -5.19365 Alpha occ. eigenvalues -- -1.18070 -1.16107 -1.12370 -1.11336 -1.03408 Alpha occ. eigenvalues -- -1.02363 -0.99622 -0.97862 -0.85746 -0.84746 Alpha occ. eigenvalues -- -0.79080 -0.71551 -0.62064 -0.58966 -0.54394 Alpha occ. eigenvalues -- -0.53989 -0.49383 -0.48650 -0.47363 -0.43053 Alpha occ. eigenvalues -- -0.41916 -0.40941 -0.39936 -0.38631 -0.36723 Alpha occ. eigenvalues -- -0.36638 -0.35244 -0.34820 -0.33525 -0.32901 Alpha occ. eigenvalues -- -0.31976 -0.30973 -0.29238 -0.28995 -0.27902 Alpha occ. eigenvalues -- -0.27106 -0.26725 -0.24625 -0.24178 -0.22135 Alpha occ. eigenvalues -- -0.21388 -0.20126 -0.19410 -0.18737 -0.17534 Alpha occ. eigenvalues -- -0.16965 -0.15996 -0.15390 -0.15057 -0.12504 Alpha virt. eigenvalues -- 0.39702 0.43060 0.44932 0.46615 0.47467 Alpha virt. eigenvalues -- 0.47999 0.48852 0.49560 0.51264 0.52078 Alpha virt. eigenvalues -- 0.52588 0.53754 0.54998 0.56437 0.57477 Alpha virt. eigenvalues -- 0.58408 0.58636 0.59352 0.60232 0.61714 Alpha virt. eigenvalues -- 0.61860 0.63158 0.65791 0.66380 0.68005 Alpha virt. eigenvalues -- 0.69055 0.71158 0.72555 0.74417 0.78594 Alpha virt. eigenvalues -- 0.79471 0.80492 0.81829 0.83053 0.84552 Alpha virt. eigenvalues -- 0.87172 0.90812 0.92993 0.94536 0.97881 Alpha virt. eigenvalues -- 0.99211 1.00935 1.02044 1.03212 1.04909 Alpha virt. eigenvalues -- 1.08115 1.08506 1.11428 1.11543 1.14051 Alpha virt. eigenvalues -- 1.15010 1.15719 1.16834 1.17718 1.20635 Alpha virt. eigenvalues -- 1.22342 1.24027 1.26999 1.28127 1.29478 Alpha virt. eigenvalues -- 1.29769 1.31196 1.32253 1.33608 1.34072 Alpha virt. eigenvalues -- 1.34960 1.35202 1.36458 1.36670 1.37711 Alpha virt. eigenvalues -- 1.38170 1.39590 1.40120 1.40929 1.41574 Alpha virt. eigenvalues -- 1.42903 1.43820 1.45189 1.46119 1.46723 Alpha virt. eigenvalues -- 1.47757 1.49252 1.50988 1.51907 1.52201 Alpha virt. eigenvalues -- 1.54670 1.56241 1.58336 1.59367 1.59790 Alpha virt. eigenvalues -- 1.61731 1.62531 1.63285 1.64237 1.66115 Alpha virt. eigenvalues -- 1.67247 1.68507 1.71028 1.72157 1.76052 Alpha virt. eigenvalues -- 1.76469 1.78353 1.79737 1.80600 1.81856 Alpha virt. eigenvalues -- 1.83262 1.84519 1.86873 1.87917 1.88724 Alpha virt. eigenvalues -- 1.91296 1.92182 1.95656 1.98235 1.99907 Alpha virt. eigenvalues -- 2.03756 2.04317 2.06427 2.07903 2.09124 Alpha virt. eigenvalues -- 2.13280 2.15147 2.18970 2.24228 2.24572 Alpha virt. eigenvalues -- 2.25986 2.28063 2.28345 2.28887 2.29917 Alpha virt. eigenvalues -- 2.33110 2.34265 2.35444 2.38689 2.39076 Alpha virt. eigenvalues -- 2.39742 2.40125 2.41147 2.41669 2.41899 Alpha virt. eigenvalues -- 2.42619 2.43502 2.44972 2.46181 2.46573 Alpha virt. eigenvalues -- 2.47632 2.50472 2.53054 2.54325 2.55848 Alpha virt. eigenvalues -- 2.56761 2.58939 2.61119 2.62802 2.66480 Alpha virt. eigenvalues -- 2.69771 2.70308 2.71878 2.72155 2.73533 Alpha virt. eigenvalues -- 2.76493 2.76832 2.78257 2.80830 2.82643 Alpha virt. eigenvalues -- 2.85776 2.87299 2.88400 2.90258 2.91387 Alpha virt. eigenvalues -- 2.93857 2.97763 3.01437 3.01653 3.03248 Alpha virt. eigenvalues -- 3.06643 3.08108 3.11316 3.16265 3.16854 Alpha virt. eigenvalues -- 3.18628 3.20227 3.22259 3.29156 3.33826 Alpha virt. eigenvalues -- 3.35868 3.38683 3.44331 3.45747 3.48222 Alpha virt. eigenvalues -- 3.50477 3.51105 3.55362 3.63630 3.68856 Alpha virt. eigenvalues -- 4.15575 4.16252 4.35951 4.36894 4.46918 Alpha virt. eigenvalues -- 4.56959 4.59759 4.66299 4.70207 4.71803 Alpha virt. eigenvalues -- 4.83767 4.90050 4.99162 5.05778 5.10304 Alpha virt. eigenvalues -- 5.27773 5.34594 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 P 11.928248 0.607371 0.580898 0.240334 0.269036 -0.011030 2 O 0.607371 8.327040 -0.029383 -0.036849 -0.053651 0.000105 3 O 0.580898 -0.029383 8.385839 -0.043642 -0.060953 0.000773 4 O 0.240334 -0.036849 -0.043642 8.489099 -0.045112 0.000836 5 C 0.269036 -0.053651 -0.060953 -0.045112 5.430878 0.369209 6 H -0.011030 0.000105 0.000773 0.000836 0.369209 0.518911 7 C -0.005901 -0.001063 0.003355 -0.001444 0.629683 -0.047283 8 H -0.001213 0.000003 0.009066 0.000039 -0.036567 0.004037 9 C 0.000882 -0.000025 0.000316 -0.000044 -0.050870 -0.004995 10 H 0.000024 0.000000 0.000003 0.000001 0.001226 0.000150 11 O -0.000032 0.000000 -0.000000 -0.000000 0.001567 0.000028 12 C 0.000005 0.000000 -0.000000 0.000000 0.000247 0.000030 13 H 0.000000 0.000000 -0.000000 0.000000 0.000010 0.000001 14 C 0.000009 -0.000000 0.000000 -0.000000 -0.000177 -0.000004 15 C -0.000348 -0.000002 -0.000002 0.000001 -0.003989 0.001213 16 H 0.000026 0.000001 0.000000 -0.000001 -0.001408 0.002588 17 C 0.000026 0.000001 -0.000000 -0.000000 -0.000540 -0.000505 18 H 0.000067 -0.000005 -0.000001 0.000000 0.002273 0.000348 19 H -0.000001 -0.000000 -0.000000 0.000000 0.000039 0.000012 20 O 0.000000 -0.000000 0.000000 0.000000 0.000006 -0.000036 21 H -0.000000 -0.000000 -0.000000 0.000000 0.000004 0.000000 22 H 0.000039 -0.000001 -0.000001 0.000000 0.000281 0.000003 23 H -0.000000 -0.000000 -0.000000 -0.000000 0.000002 0.000000 24 P -0.000001 -0.000000 0.000000 0.000000 -0.000066 -0.000002 25 O -0.000000 -0.000000 0.000000 -0.000000 -0.000000 -0.000000 26 O 0.000000 -0.000000 -0.000000 -0.000000 0.000018 -0.000001 27 O 0.000000 -0.000000 -0.000000 -0.000000 0.000001 -0.000009 28 H 0.000000 0.000000 0.000000 -0.000000 -0.000000 0.000000 29 H 0.000468 0.001088 0.003232 0.254709 0.001298 -0.000125 7 8 9 10 11 12 1 P -0.005901 -0.001213 0.000882 0.000024 -0.000032 0.000005 2 O -0.001063 0.000003 -0.000025 0.000000 0.000000 0.000000 3 O 0.003355 0.009066 0.000316 0.000003 -0.000000 -0.000000 4 O -0.001444 0.000039 -0.000044 0.000001 -0.000000 0.000000 5 C 0.629683 -0.036567 -0.050870 0.001226 0.001567 0.000247 6 H -0.047283 0.004037 -0.004995 0.000150 0.000028 0.000030 7 C 5.059739 0.382285 0.306612 -0.043466 -0.051476 0.004207 8 H 0.382285 0.478085 -0.039970 -0.000653 0.001408 -0.000252 9 C 0.306612 -0.039970 4.912516 0.404267 0.171719 -0.058078 10 H -0.043466 -0.000653 0.404267 0.479201 -0.034007 0.002272 11 O -0.051476 0.001408 0.171719 -0.034007 8.558868 0.222009 12 C 0.004207 -0.000252 -0.058078 0.002272 0.222009 4.705340 13 H -0.000279 0.000005 0.002790 0.000260 -0.041821 0.411203 14 C -0.000275 0.000003 0.003511 -0.000201 -0.056727 0.361624 15 C -0.043480 0.002961 0.374685 -0.032489 -0.044641 -0.073723 16 H 0.002566 -0.000015 -0.039675 0.000382 0.002645 0.006064 17 C -0.006128 -0.000175 -0.090094 0.005927 -0.053389 0.351974 18 H 0.002151 0.000034 0.000990 0.000035 0.001562 -0.037926 19 H -0.000045 0.000005 0.006115 -0.000060 0.002432 -0.030144 20 O 0.002625 -0.000041 -0.041480 -0.001656 0.001750 0.006314 21 H 0.000008 0.000003 -0.000159 0.000005 0.003547 -0.035430 22 H 0.000953 0.000072 0.000103 0.000019 0.002064 -0.029497 23 H 0.000034 0.000008 -0.000169 -0.000008 -0.000572 -0.035152 24 P 0.000224 -0.000012 -0.004855 0.000094 0.000581 -0.000188 25 O -0.000000 -0.000000 -0.000093 -0.000105 0.000000 -0.000006 26 O -0.000036 -0.000001 -0.003063 0.006691 0.000026 -0.000013 27 O -0.000000 -0.000000 0.000076 0.000012 -0.000000 0.000010 28 H 0.000000 -0.000000 -0.000008 0.000000 0.000000 -0.000000 29 H 0.000021 -0.000039 0.000001 -0.000000 0.000000 -0.000000 13 14 15 16 17 18 1 P 0.000000 0.000009 -0.000348 0.000026 0.000026 0.000067 2 O 0.000000 -0.000000 -0.000002 0.000001 0.000001 -0.000005 3 O -0.000000 0.000000 -0.000002 0.000000 -0.000000 -0.000001 4 O 0.000000 -0.000000 0.000001 -0.000001 -0.000000 0.000000 5 C 0.000010 -0.000177 -0.003989 -0.001408 -0.000540 0.002273 6 H 0.000001 -0.000004 0.001213 0.002588 -0.000505 0.000348 7 C -0.000279 -0.000275 -0.043480 0.002566 -0.006128 0.002151 8 H 0.000005 0.000003 0.002961 -0.000015 -0.000175 0.000034 9 C 0.002790 0.003511 0.374685 -0.039675 -0.090094 0.000990 10 H 0.000260 -0.000201 -0.032489 0.000382 0.005927 0.000035 11 O -0.041821 -0.056727 -0.044641 0.002645 -0.053389 0.001562 12 C 0.411203 0.361624 -0.073723 0.006064 0.351974 -0.037926 13 H 0.588835 -0.065220 -0.003926 -0.000038 -0.044586 0.004348 14 C -0.065220 5.154885 0.004919 -0.000011 -0.051931 -0.007211 15 C -0.003926 0.004919 4.842929 0.402181 0.355195 -0.037424 16 H -0.000038 -0.000011 0.402181 0.489344 -0.038483 -0.001499 17 C -0.044586 -0.051931 0.355195 -0.038483 5.254737 0.386387 18 H 0.004348 -0.007211 -0.037424 -0.001499 0.386387 0.525173 19 H -0.001897 0.000879 -0.026768 -0.000552 0.376143 -0.022995 20 O 0.002798 0.000137 0.153284 -0.028440 -0.066357 0.003171 21 H 0.002290 0.364980 -0.000030 -0.000005 -0.002748 0.000631 22 H 0.004357 0.384001 -0.000239 -0.000010 -0.004455 0.002946 23 H -0.003379 0.388181 -0.000161 0.000002 0.004841 0.000102 24 P 0.000016 0.000012 -0.007342 -0.000717 -0.000788 0.000190 25 O 0.000001 -0.000000 0.000390 -0.000074 -0.000034 0.000000 26 O 0.000001 0.000000 0.004552 0.001140 0.000201 0.000002 27 O -0.000000 0.000000 0.001184 0.005122 -0.000504 -0.000001 28 H -0.000000 -0.000000 -0.000134 -0.000207 0.000085 -0.000001 29 H 0.000000 0.000000 0.000000 0.000000 0.000000 -0.000000 19 20 21 22 23 24 1 P -0.000001 0.000000 -0.000000 0.000039 -0.000000 -0.000001 2 O -0.000000 -0.000000 -0.000000 -0.000001 -0.000000 -0.000000 3 O -0.000000 0.000000 -0.000000 -0.000001 -0.000000 0.000000 4 O 0.000000 0.000000 0.000000 0.000000 -0.000000 0.000000 5 C 0.000039 0.000006 0.000004 0.000281 0.000002 -0.000066 6 H 0.000012 -0.000036 0.000000 0.000003 0.000000 -0.000002 7 C -0.000045 0.002625 0.000008 0.000953 0.000034 0.000224 8 H 0.000005 -0.000041 0.000003 0.000072 0.000008 -0.000012 9 C 0.006115 -0.041480 -0.000159 0.000103 -0.000169 -0.004855 10 H -0.000060 -0.001656 0.000005 0.000019 -0.000008 0.000094 11 O 0.002432 0.001750 0.003547 0.002064 -0.000572 0.000581 12 C -0.030144 0.006314 -0.035430 -0.029497 -0.035152 -0.000188 13 H -0.001897 0.002798 0.002290 0.004357 -0.003379 0.000016 14 C 0.000879 0.000137 0.364980 0.384001 0.388181 0.000012 15 C -0.026768 0.153284 -0.000030 -0.000239 -0.000161 -0.007342 16 H -0.000552 -0.028440 -0.000005 -0.000010 0.000002 -0.000717 17 C 0.376143 -0.066357 -0.002748 -0.004455 0.004841 -0.000788 18 H -0.022995 0.003171 0.000631 0.002946 0.000102 0.000190 19 H 0.543789 0.000303 0.000333 0.000168 -0.000140 -0.000028 20 O 0.000303 8.598608 -0.000002 -0.000004 0.000003 0.247603 21 H 0.000333 -0.000002 0.611679 -0.024997 -0.033029 -0.000000 22 H 0.000168 -0.000004 -0.024997 0.507550 -0.026817 -0.000001 23 H -0.000140 0.000003 -0.033029 -0.026817 0.566403 0.000000 24 P -0.000028 0.247603 -0.000000 -0.000001 0.000000 11.798100 25 O -0.000025 -0.041804 -0.000000 0.000000 0.000000 0.603428 26 O -0.000001 -0.038079 -0.000000 -0.000000 0.000000 0.591019 27 O 0.000109 -0.038161 0.000000 -0.000000 -0.000000 0.255261 28 H -0.000010 0.000968 -0.000000 0.000000 -0.000000 -0.001222 29 H -0.000000 -0.000000 0.000000 0.000000 0.000000 -0.000000 25 26 27 28 29 1 P -0.000000 0.000000 0.000000 0.000000 0.000468 2 O -0.000000 -0.000000 -0.000000 0.000000 0.001088 3 O 0.000000 -0.000000 -0.000000 0.000000 0.003232 4 O -0.000000 -0.000000 -0.000000 -0.000000 0.254709 5 C -0.000000 0.000018 0.000001 -0.000000 0.001298 6 H -0.000000 -0.000001 -0.000009 0.000000 -0.000125 7 C -0.000000 -0.000036 -0.000000 0.000000 0.000021 8 H -0.000000 -0.000001 -0.000000 -0.000000 -0.000039 9 C -0.000093 -0.003063 0.000076 -0.000008 0.000001 10 H -0.000105 0.006691 0.000012 0.000000 -0.000000 11 O 0.000000 0.000026 -0.000000 0.000000 0.000000 12 C -0.000006 -0.000013 0.000010 -0.000000 -0.000000 13 H 0.000001 0.000001 -0.000000 -0.000000 0.000000 14 C -0.000000 0.000000 0.000000 -0.000000 0.000000 15 C 0.000390 0.004552 0.001184 -0.000134 0.000000 16 H -0.000074 0.001140 0.005122 -0.000207 0.000000 17 C -0.000034 0.000201 -0.000504 0.000085 0.000000 18 H 0.000000 0.000002 -0.000001 -0.000001 -0.000000 19 H -0.000025 -0.000001 0.000109 -0.000010 -0.000000 20 O -0.041804 -0.038079 -0.038161 0.000968 -0.000000 21 H -0.000000 -0.000000 0.000000 -0.000000 0.000000 22 H 0.000000 -0.000000 -0.000000 0.000000 0.000000 23 H 0.000000 0.000000 -0.000000 -0.000000 0.000000 24 P 0.603428 0.591019 0.255261 -0.001222 -0.000000 25 O 8.333632 -0.028470 -0.046261 0.003851 0.000000 26 O -0.028470 8.317968 -0.036829 0.001145 0.000000 27 O -0.046261 -0.036829 8.464520 0.255053 -0.000000 28 H 0.003851 0.001145 0.255053 0.306661 0.000000 29 H 0.000000 0.000000 -0.000000 0.000000 0.305939 Mulliken charges: 1 1 P 1.391093 2 O -0.814629 3 O -0.849500 4 O -0.857928 5 C -0.452445 6 H 0.165744 7 C -0.193585 8 H 0.200922 9 C 0.148995 10 H 0.212076 11 O -0.687541 12 C 0.229111 13 H 0.144232 14 C -0.481383 15 C 0.131205 16 H 0.199075 17 C -0.374799 18 H 0.176654 19 H 0.152338 20 O -0.761509 21 H 0.112919 22 H 0.183464 23 H 0.139851 24 P 1.518695 25 O -0.824430 26 O -0.816271 27 O -0.859582 28 H 0.433819 29 H 0.433409 Sum of Mulliken charges = -2.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 P 1.391093 2 O -0.814629 3 O -0.849500 4 O -0.424519 5 C -0.286701 7 C 0.007337 9 C 0.361071 11 O -0.687541 12 C 0.373343 14 C -0.045149 15 C 0.330280 17 C -0.045807 20 O -0.761509 24 P 1.518695 25 O -0.824430 26 O -0.816271 27 O -0.425763 DipInt: DoE/N= T F RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Entering OneElI... OneElI was handed 2147270382 working-precision words. Multipole integrals L=0 to 4 MinM= 0 MaxM= 0. Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.68D+01 NSMCal= 4465 NSMKep= 3572 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 1 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 0 NThAct= 1. PrsmSu: NPrtUS= 1 ThrOK=F IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 0. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 35. PRISM was handed 2146936899 working-precision words and 3572 shell-pairs IPart= 0 NShTot= 3572 NBatch= 60 AvBLen= 59.5 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 1 1 IThBeg= 0 IThEnd= 0 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 36. Electronic moments (au): -150.00000000 1.67437697 2.45392498 0.87851838 -4573.53062251 -1470.87600930 -452.10313104 8.80348669 17.27997271 3.08496873 4343.28595861 -3572.03181755 -231.77201557 -598.80020843 7031.99987846 -448.88818493 189.48239891 -1.58011565 -135.24087647 -73.89188768 -245727.41095829 -46705.00644638 -3681.21811758 -409.33438991 3977.79551415 -2227.99338085 -1824.16581783 -161.16144355 344.63299717 -25508.29266814 -13990.67909507 -3857.16598503 1246.72705120 -531.66548492 1123.48640725 Electronic spatial extent (au): = 6496.5098 DipInt: DoE/N= F T RetVal/Mat= T F Init=T NMatP= 1 IDeriv=0 Min/MaxMlt= 0 4 Nuclear moments (au): 148.00000000 -0.00000000 -0.00000000 -0.00000000 4372.75883071 1366.44323948 356.12812661 0.00000000 0.00000000 -0.00000000 -4148.33482844 3582.81417909 225.18116516 572.61310389 -6925.29600177 471.30946835 -129.51434414 -7.26574366 137.51627038 28.24418638 222791.57565878 41106.27357752 2152.10620807 648.49579390 -2840.68229691 2347.86372895 1843.00096369 372.29364201 -344.62161333 21726.94968713 10793.28355166 2695.77515296 -1150.17322958 707.19813630 -1054.64621189 Total moments (au): -2.00000000 1.67437697 2.45392498 0.87851838 -200.77179180 -104.43276982 -95.97500444 8.80348669 17.27997271 3.08496873 194.95113017 10.78236154 -6.59085040 -26.18710454 106.70387669 22.42128342 59.96805477 -8.84585931 2.27539391 -45.64770130 -22935.83529951 -5598.73286886 -1529.11190952 239.16140399 1137.11321724 119.87034810 18.83514586 211.13219846 0.01138384 -3781.34298101 -3197.39554341 -1161.39083207 96.55382162 175.53265138 68.84019535 Traceless Quadrup. (au): -67.04526978 29.29375220 37.75151758 8.80348669 17.27997271 3.08496873 Charge= -2.0000 electrons Dipole moment (field-independent basis, Debye): X= 4.2558 Y= 6.2373 Z= 2.2330 Tot= 7.8741 Quadrupole moment (field-independent basis, Debye-Ang): XX= -270.0449 YY= -140.4657 ZZ= -129.0897 XY= 11.8410 XZ= 23.2422 YZ= 4.1494 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -90.1782 YY= 39.4011 ZZ= 50.7771 XY= 11.8410 XZ= 23.2422 YZ= 4.1494 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 138.7587 YYY= 7.6745 ZZZ= -4.6911 XYY= -18.6390 XXY= 75.9477 XXZ= 15.9586 XZZ= 42.6830 YZZ= -6.2961 YYZ= 1.6195 XYZ= -32.4903 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -8638.7354 YYYY= -2108.7513 ZZZZ= -575.9369 XXXY= 90.0797 XXXZ= 428.2914 YYYX= 45.1489 YYYZ= 7.0942 ZZZX= 79.5225 ZZZY= 0.0043 XXYY= -1424.2351 XXZZ= -1204.2925 YYZZ= -437.4355 XXYZ= 36.3668 YYXZ= 66.1140 ZZXY= 25.9285 N-N= 1.600397086893D+03 E-N=-6.918107174365D+03 KE= 1.550350661259D+03 Entering OneElI... OneElI was handed 2147310669 working-precision words. Calculate electrostatic properties NBasis = 287 MinDer = 0 MaxDer = 0 NGrid = 29 NMatD = 1 Requested accuracy = 0.1000D-12 ShPair: Thresh= 1.00D-13 NBox= 0 BxSize= 0.00D+00 RnKept= 1.60D+01 NSMCal= 4465 NSMKep= 3200 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 77. PRISM was handed 178822412 working-precision words and 3200 shell-pairs PRISM was handed 178822412 working-precision words and 3200 shell-pairs PRISM was handed 178822412 working-precision words and 3200 shell-pairs PRISM was handed 178822412 working-precision words and 3200 shell-pairs PRISM was handed 178822412 working-precision words and 3200 shell-pairs PRISM was handed 178822412 working-precision words and 3200 shell-pairs PRISM was handed 178822412 working-precision words and 3200 shell-pairs PRISM was handed 178822412 working-precision words and 3200 shell-pairs PRISM was handed 178822412 working-precision words and 3200 shell-pairs PRISM was handed 178822412 working-precision words and 3200 shell-pairs PRISM was handed 178822412 working-precision words and 3200 shell-pairs PRISM was handed 178822412 working-precision words and 3200 shell-pairs IPart= 7 NShTot= 7482 NBatch= 258 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 0 NShTot= 8526 NBatch= 294 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 10 NShTot= 7221 NBatch= 249 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 9 NShTot= 7279 NBatch= 251 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 3 NShTot= 7975 NBatch= 275 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 2 NShTot= 8062 NBatch= 278 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 8 NShTot= 7424 NBatch= 256 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 4 NShTot= 7917 NBatch= 273 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 5 NShTot= 7743 NBatch= 267 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 6 NShTot= 7627 NBatch= 263 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 11 NShTot= 7163 NBatch= 247 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 1 NShTot= 8381 NBatch= 289 AvBLen= 29.0 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 925. -------------------------------------------------------- Center ---- EFG at Nuclei ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom -0.087853 -0.774085 0.861939 2 Atom 0.314366 0.315999 -0.630365 3 Atom 0.237892 0.199306 -0.437198 4 Atom 1.312086 -0.285498 -1.026589 5 Atom 0.201582 -0.169554 -0.032028 6 Atom 0.041231 0.060474 -0.101705 7 Atom 0.100138 -0.131606 0.031468 8 Atom 0.028430 0.065533 -0.093963 9 Atom 0.184672 -0.368536 0.183864 10 Atom 0.086426 0.037583 -0.124009 11 Atom 1.612172 -1.438151 -0.174020 12 Atom 0.128272 0.035832 -0.164104 13 Atom -0.238285 0.100856 0.137428 14 Atom 0.018998 0.012425 -0.031423 15 Atom -0.310681 0.188163 0.122518 16 Atom 0.110756 -0.151875 0.041118 17 Atom 0.025699 -0.011314 -0.014385 18 Atom -0.210014 0.152111 0.057902 19 Atom -0.075987 0.140909 -0.064922 20 Atom -1.336308 0.111951 1.224357 21 Atom 0.115945 0.025082 -0.141027 22 Atom -0.258126 0.109824 0.148302 23 Atom 0.158038 -0.019891 -0.138147 24 Atom 0.674651 -0.292839 -0.381812 25 Atom -0.752198 0.349607 0.402591 26 Atom 0.042068 -0.047143 0.005074 27 Atom -0.087220 0.801630 -0.714410 28 Atom -0.213323 0.147241 0.066082 29 Atom 0.288760 0.220759 -0.509519 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.211068 -0.032802 -0.162021 2 Atom 0.076195 0.371320 -0.228085 3 Atom 0.159579 -0.391697 0.400561 4 Atom -0.209513 -0.117484 -0.738172 5 Atom 0.093838 -0.019893 -0.233324 6 Atom 0.107136 -0.176437 0.173942 7 Atom 0.075291 -0.001229 -0.283743 8 Atom 0.111639 -0.177338 0.162934 9 Atom -0.068723 -0.011846 0.143368 10 Atom 0.086111 0.140255 -0.176623 11 Atom -0.683655 -0.656345 -0.620886 12 Atom -0.038951 -0.126358 -0.197061 13 Atom -0.145485 0.064620 0.020561 14 Atom -0.005616 -0.016343 -0.005947 15 Atom 0.031178 0.120948 -0.061069 16 Atom -0.098716 0.068568 0.197566 17 Atom -0.024790 -0.013000 0.014113 18 Atom -0.011919 0.189171 0.007857 19 Atom -0.065686 -0.233210 -0.059460 20 Atom 0.608443 0.620294 -0.143483 21 Atom -0.069855 -0.112154 -0.198670 22 Atom -0.132389 0.067170 0.022982 23 Atom -0.000341 0.005625 0.230608 24 Atom 0.733631 0.178092 0.406536 25 Atom -0.299971 0.184671 0.072717 26 Atom -0.418968 -0.388778 -0.439231 27 Atom -0.708063 -1.000488 0.057239 28 Atom -0.261806 -0.302779 -0.136649 29 Atom -0.013493 -0.031902 -0.129663 -------------------------------------------------------- --------------------------------------------------------------------------------- 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 Tue Apr 23 23:27:00 2024, MaxMem= 2147483648 cpu: 12.2 elap: 1.6 FitSet: NAtFit= 29 NAtPot= 29 NAtFrz= 0 MDM= 33 TotChg= -2.00000 Merz-Kollman atomic radii used. Atom Element Radius 1 15 1.80 2 8 1.40 3 8 1.40 4 8 1.40 5 6 1.50 6 1 1.20 7 6 1.50 8 1 1.20 9 6 1.50 10 1 1.20 11 8 1.40 12 6 1.50 13 1 1.20 14 6 1.50 15 6 1.50 16 1 1.20 17 6 1.50 18 1 1.20 19 1 1.20 20 8 1.40 21 1 1.20 22 1 1.20 23 1 1.20 24 15 1.80 25 8 1.40 26 8 1.40 27 8 1.40 28 1 1.20 29 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 -3.715501 -0.662715 0.138352 Atomic Center 2 is at -4.204328 -0.359090 1.499842 Atomic Center 3 is at -4.270490 -0.030547 -1.084828 Atomic Center 4 is at -3.858793 -2.295598 -0.078610 Atomic Center 5 is at -1.897561 -0.484527 0.130674 Atomic Center 6 is at -1.372762 -0.989461 0.927259 Atomic Center 7 is at -1.240077 0.241588 -0.758563 Atomic Center 8 is at -1.814392 0.725303 -1.531742 Atomic Center 9 is at 0.244168 0.529949 -0.862224 Atomic Center 10 is at 0.674557 -0.012122 -1.692333 Atomic Center 11 is at 0.398162 1.925571 -1.134338 Atomic Center 12 is at 0.813934 2.629364 0.014100 Atomic Center 13 is at 1.825989 2.984935 -0.159627 Atomic Center 14 is at -0.105507 3.819777 0.245023 Atomic Center 15 is at 1.089102 0.305774 0.392861 Atomic Center 16 is at 0.808641 -0.581371 0.939682 Atomic Center 17 is at 0.826910 1.601354 1.150836 Atomic Center 18 is at -0.139779 1.559324 1.641535 Atomic Center 19 is at 1.593883 1.800853 1.889789 Atomic Center 20 is at 2.458060 0.286237 0.073553 Atomic Center 21 is at 0.214428 4.392496 1.114422 Atomic Center 22 is at -1.124461 3.484149 0.404908 Atomic Center 23 is at -0.096935 4.479802 -0.617971 Atomic Center 24 is at 3.280184 -1.112551 -0.136390 Atomic Center 25 is at 4.675079 -0.722794 -0.418664 Atomic Center 26 is at 2.482565 -2.025632 -0.967145 Atomic Center 27 is at 3.254120 -1.693163 1.403127 Atomic Center 28 is at 3.997633 -1.311494 1.848665 Atomic Center 29 is at -3.897844 -2.442975 -1.013768 ESP Fit Center 30 is at -2.796717 -1.433666 2.354626 ESP Fit Center 31 is at -2.588446 -1.072929 2.354626 ESP Fit Center 32 is at -2.393017 0.141506 2.126986 ESP Fit Center 33 is at -3.821128 -2.206922 2.126986 ESP Fit Center 34 is at -3.400589 -2.178157 2.126986 ESP Fit Center 35 is at -3.003405 -2.036998 2.126986 ESP Fit Center 36 is at -2.659034 -1.793914 2.126986 ESP Fit Center 37 is at -2.608355 0.824441 1.845102 ESP Fit Center 38 is at -4.642513 -2.268347 1.845102 ESP Fit Center 39 is at -4.247241 -2.438850 1.845102 ESP Fit Center 40 is at -3.393553 -2.488572 1.845102 ESP Fit Center 41 is at -2.981160 -2.365110 1.845102 ESP Fit Center 42 is at -2.608355 -2.149871 1.845102 ESP Fit Center 43 is at -2.599567 1.127636 1.516662 ESP Fit Center 44 is at -2.982805 1.315623 1.516662 ESP Fit Center 45 is at -5.316222 -2.036889 1.516662 ESP Fit Center 46 is at -5.006836 -2.330982 1.516662 ESP Fit Center 47 is at -2.599567 -2.453065 1.516662 ESP Fit Center 48 is at -2.686849 1.403097 1.150625 ESP Fit Center 49 is at -3.083956 1.556937 1.150625 ESP Fit Center 50 is at -3.502569 1.635190 1.150625 ESP Fit Center 51 is at -3.928433 1.635190 1.150625 ESP Fit Center 52 is at -5.867413 -1.496370 1.150625 ESP Fit Center 53 is at -5.677589 -1.877588 1.150625 ESP Fit Center 54 is at -5.420948 -2.217435 1.150625 ESP Fit Center 55 is at -2.324772 -2.504338 1.150625 ESP Fit Center 56 is at -2.494057 1.452889 0.756976 ESP Fit Center 57 is at -2.879984 1.632850 0.756976 ESP Fit Center 58 is at -3.291298 1.743061 0.756976 ESP Fit Center 59 is at -3.715501 1.780174 0.756976 ESP Fit Center 60 is at -4.139704 1.743061 0.756976 ESP Fit Center 61 is at -4.551018 1.632850 0.756976 ESP Fit Center 62 is at -4.936945 1.452889 0.756976 ESP Fit Center 63 is at -5.285760 1.208647 0.756976 ESP Fit Center 64 is at -5.586862 0.907544 0.756976 ESP Fit Center 65 is at -5.831105 0.558730 0.756976 ESP Fit Center 66 is at -6.011066 0.172802 0.756976 ESP Fit Center 67 is at -6.121277 -0.238512 0.756976 ESP Fit Center 68 is at -6.158390 -0.662715 0.756976 ESP Fit Center 69 is at -6.121277 -1.086918 0.756976 ESP Fit Center 70 is at -6.011066 -1.498232 0.756976 ESP Fit Center 71 is at -5.831105 -1.884159 0.756976 ESP Fit Center 72 is at -2.779112 1.667579 0.346452 ESP Fit Center 73 is at -3.186403 1.792311 0.346452 ESP Fit Center 74 is at -3.608915 1.846415 0.346452 ESP Fit Center 75 is at -4.034493 1.828337 0.346452 ESP Fit Center 76 is at -4.450894 1.738596 0.346452 ESP Fit Center 77 is at -4.846140 1.579773 0.346452 ESP Fit Center 78 is at -5.208859 1.356438 0.346452 ESP Fit Center 79 is at -5.528617 1.075016 0.346452 ESP Fit Center 80 is at -5.796214 0.743602 0.346452 ESP Fit Center 81 is at -6.003954 0.371731 0.346452 ESP Fit Center 82 is at -6.145859 -0.029899 0.346452 ESP Fit Center 83 is at -6.217847 -0.449734 0.346452 ESP Fit Center 84 is at -6.217847 -0.875696 0.346452 ESP Fit Center 85 is at -6.145859 -1.295531 0.346452 ESP Fit Center 86 is at -6.003954 -1.697161 0.346452 ESP Fit Center 87 is at -5.796214 -2.069031 0.346452 ESP Fit Center 88 is at -2.779112 1.667579 -0.069748 ESP Fit Center 89 is at -3.186403 1.792311 -0.069748 ESP Fit Center 90 is at -3.608915 1.846415 -0.069748 ESP Fit Center 91 is at -4.034493 1.828337 -0.069748 ESP Fit Center 92 is at -4.450894 1.738596 -0.069748 ESP Fit Center 93 is at -4.846140 1.579773 -0.069748 ESP Fit Center 94 is at -5.796214 0.743602 -0.069748 ESP Fit Center 95 is at -6.003954 0.371731 -0.069748 ESP Fit Center 96 is at -6.145859 -0.029899 -0.069748 ESP Fit Center 97 is at -6.217847 -0.449734 -0.069748 ESP Fit Center 98 is at -6.217847 -0.875696 -0.069748 ESP Fit Center 99 is at -6.145859 -1.295531 -0.069748 ESP Fit Center 100 is at -6.003954 -1.697161 -0.069748 ESP Fit Center 101 is at -2.879984 1.632850 -0.480271 ESP Fit Center 102 is at -3.291298 1.743061 -0.480271 ESP Fit Center 103 is at -3.715501 1.780174 -0.480271 ESP Fit Center 104 is at -6.158390 -0.662715 -0.480271 ESP Fit Center 105 is at -6.121277 -1.086918 -0.480271 ESP Fit Center 106 is at -6.011066 -1.498232 -0.480271 ESP Fit Center 107 is at -5.831105 -1.884159 -0.480271 ESP Fit Center 108 is at -5.983956 -1.086762 -0.873920 ESP Fit Center 109 is at -5.867413 -1.496370 -0.873920 ESP Fit Center 110 is at -5.677589 -1.877588 -0.873920 ESP Fit Center 111 is at -5.560075 -1.686537 -1.239957 ESP Fit Center 112 is at -2.295236 -1.854459 -1.568397 ESP Fit Center 113 is at -2.393017 -1.466935 -1.850282 ESP Fit Center 114 is at -2.796717 -1.433666 -2.077922 ESP Fit Center 115 is at -2.588446 -1.072929 -2.077922 ESP Fit Center 116 is at -3.306380 -1.371334 -2.245107 ESP Fit Center 117 is at -3.006882 -1.071836 -2.245107 ESP Fit Center 118 is at -4.204328 -0.359090 3.459842 ESP Fit Center 119 is at -3.796821 -0.359090 3.417012 ESP Fit Center 120 is at -4.000575 -0.006178 3.417012 ESP Fit Center 121 is at -4.408082 -0.006178 3.417012 ESP Fit Center 122 is at -4.611835 -0.359090 3.417012 ESP Fit Center 123 is at -4.408082 -0.712001 3.417012 ESP Fit Center 124 is at -4.000575 -0.712001 3.417012 ESP Fit Center 125 is at -3.407124 -0.359090 3.290392 ESP Fit Center 126 is at -3.513929 0.039512 3.290392 ESP Fit Center 127 is at -3.805726 0.331309 3.290392 ESP Fit Center 128 is at -4.204328 0.438114 3.290392 ESP Fit Center 129 is at -4.602930 0.331309 3.290392 ESP Fit Center 130 is at -4.894727 0.039512 3.290392 ESP Fit Center 131 is at -5.001532 -0.359090 3.290392 ESP Fit Center 132 is at -4.894727 -0.757692 3.290392 ESP Fit Center 133 is at -4.602930 -1.049488 3.290392 ESP Fit Center 134 is at -4.204328 -1.156294 3.290392 ESP Fit Center 135 is at -3.805726 -1.049488 3.290392 ESP Fit Center 136 is at -3.513929 -0.757692 3.290392 ESP Fit Center 137 is at -3.052269 -0.359090 3.085516 ESP Fit Center 138 is at -3.130065 0.057082 3.085516 ESP Fit Center 139 is at -3.352946 0.417047 3.085516 ESP Fit Center 140 is at -3.690811 0.672191 3.085516 ESP Fit Center 141 is at -4.098029 0.788055 3.085516 ESP Fit Center 142 is at -4.519604 0.748990 3.085516 ESP Fit Center 143 is at -4.898599 0.560273 3.085516 ESP Fit Center 144 is at -5.183828 0.247391 3.085516 ESP Fit Center 145 is at -5.336771 -0.147399 3.085516 ESP Fit Center 146 is at -5.336771 -0.570780 3.085516 ESP Fit Center 147 is at -5.183828 -0.965571 3.085516 ESP Fit Center 148 is at -4.898599 -1.278453 3.085516 ESP Fit Center 149 is at -4.519604 -1.467170 3.085516 ESP Fit Center 150 is at -4.098029 -1.506234 3.085516 ESP Fit Center 151 is at -3.690811 -1.390371 3.085516 ESP Fit Center 152 is at -3.352946 -1.135227 3.085516 ESP Fit Center 153 is at -3.130065 -0.775261 3.085516 ESP Fit Center 154 is at -2.747764 -0.359090 2.811338 ESP Fit Center 155 is at -2.806765 0.051272 2.811338 ESP Fit Center 156 is at -2.978989 0.428388 2.811338 ESP Fit Center 157 is at -3.250482 0.741708 2.811338 ESP Fit Center 158 is at -3.599250 0.965847 2.811338 ESP Fit Center 159 is at -3.997037 1.082648 2.811338 ESP Fit Center 160 is at -4.411619 1.082648 2.811338 ESP Fit Center 161 is at -4.809407 0.965847 2.811338 ESP Fit Center 162 is at -5.158175 0.741708 2.811338 ESP Fit Center 163 is at -5.429668 0.428388 2.811338 ESP Fit Center 164 is at -5.601891 0.051272 2.811338 ESP Fit Center 165 is at -5.660892 -0.359090 2.811338 ESP Fit Center 166 is at -5.601891 -0.769451 2.811338 ESP Fit Center 167 is at -5.429668 -1.146568 2.811338 ESP Fit Center 168 is at -5.158175 -1.459887 2.811338 ESP Fit Center 169 is at -4.809407 -1.684027 2.811338 ESP Fit Center 170 is at -4.411619 -1.800828 2.811338 ESP Fit Center 171 is at -3.997037 -1.800828 2.811338 ESP Fit Center 172 is at -3.599250 -1.684027 2.811338 ESP Fit Center 173 is at -3.250482 -1.459887 2.811338 ESP Fit Center 174 is at -2.978989 -1.146568 2.811338 ESP Fit Center 175 is at -2.806765 -0.769451 2.811338 ESP Fit Center 176 is at -2.506918 -0.359090 2.479842 ESP Fit Center 177 is at -2.560246 0.063039 2.479842 ESP Fit Center 178 is at -2.716877 0.458644 2.479842 ESP Fit Center 179 is at -2.966970 0.802867 2.479842 ESP Fit Center 180 is at -3.294810 1.074081 2.479842 ESP Fit Center 181 is at -3.679800 1.255243 2.479842 ESP Fit Center 182 is at -4.097747 1.334971 2.479842 ESP Fit Center 183 is at -4.522391 1.308254 2.479842 ESP Fit Center 184 is at -4.927050 1.176773 2.479842 ESP Fit Center 185 is at -5.286298 0.948787 2.479842 ESP Fit Center 186 is at -5.577561 0.638623 2.479842 ESP Fit Center 187 is at -5.782540 0.265768 2.479842 ESP Fit Center 188 is at -5.888353 -0.146348 2.479842 ESP Fit Center 189 is at -5.888353 -0.571832 2.479842 ESP Fit Center 190 is at -5.782540 -0.983948 2.479842 ESP Fit Center 191 is at -5.577561 -1.356802 2.479842 ESP Fit Center 192 is at -5.286298 -1.666966 2.479842 ESP Fit Center 193 is at -4.927050 -1.894952 2.479842 ESP Fit Center 194 is at -4.522391 -2.026434 2.479842 ESP Fit Center 195 is at -4.097747 -2.053150 2.479842 ESP Fit Center 196 is at -3.679800 -1.973422 2.479842 ESP Fit Center 197 is at -3.294810 -1.792260 2.479842 ESP Fit Center 198 is at -2.966970 -1.521047 2.479842 ESP Fit Center 199 is at -2.716877 -1.176823 2.479842 ESP Fit Center 200 is at -2.560246 -0.781218 2.479842 ESP Fit Center 201 is at -2.524858 0.449700 2.105516 ESP Fit Center 202 is at -2.746939 0.803139 2.105516 ESP Fit Center 203 is at -3.042099 1.098299 2.105516 ESP Fit Center 204 is at -3.395538 1.320380 2.105516 ESP Fit Center 205 is at -3.789533 1.458245 2.105516 ESP Fit Center 206 is at -4.204328 1.504981 2.105516 ESP Fit Center 207 is at -4.619123 1.458245 2.105516 ESP Fit Center 208 is at -5.013118 1.320380 2.105516 ESP Fit Center 209 is at -5.366557 1.098299 2.105516 ESP Fit Center 210 is at -5.661717 0.803139 2.105516 ESP Fit Center 211 is at -5.883798 0.449700 2.105516 ESP Fit Center 212 is at -6.021663 0.055705 2.105516 ESP Fit Center 213 is at -6.068399 -0.359090 2.105516 ESP Fit Center 214 is at -6.021663 -0.773885 2.105516 ESP Fit Center 215 is at -5.883798 -1.167880 2.105516 ESP Fit Center 216 is at -5.661717 -1.521319 2.105516 ESP Fit Center 217 is at -5.366557 -1.816479 2.105516 ESP Fit Center 218 is at -5.013118 -2.038559 2.105516 ESP Fit Center 219 is at -4.619123 -2.176424 2.105516 ESP Fit Center 220 is at -4.204328 -2.223161 2.105516 ESP Fit Center 221 is at -3.291277 1.363108 1.704718 ESP Fit Center 222 is at -3.682845 1.519123 1.704718 ESP Fit Center 223 is at -4.098797 1.587314 1.704718 ESP Fit Center 224 is at -4.519684 1.564495 1.704718 ESP Fit Center 225 is at -4.925825 1.451730 1.704718 ESP Fit Center 226 is at -5.298229 1.254294 1.704718 ESP Fit Center 227 is at -5.619484 0.981417 1.704718 ESP Fit Center 228 is at -5.874568 0.645860 1.704718 ESP Fit Center 229 is at -6.051553 0.263313 1.704718 ESP Fit Center 230 is at -6.142164 -0.148337 1.704718 ESP Fit Center 231 is at -6.142164 -0.569842 1.704718 ESP Fit Center 232 is at -6.051553 -0.981492 1.704718 ESP Fit Center 233 is at -5.874568 -1.364040 1.704718 ESP Fit Center 234 is at -5.619484 -1.699597 1.704718 ESP 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ESP Fit Center 789 is at 3.448744 2.984935 0.275189 ESP Fit Center 790 is at 3.393450 3.404935 0.275189 ESP Fit Center 791 is at 3.231336 3.796313 0.275189 ESP Fit Center 792 is at 2.973450 4.132397 0.275189 ESP Fit Center 793 is at 2.637367 4.390283 0.275189 ESP Fit Center 794 is at 2.245989 4.552397 0.275189 ESP Fit Center 795 is at 3.231336 2.173558 0.275189 ESP Fit Center 796 is at 3.393450 2.564935 0.275189 ESP Fit Center 797 is at 3.505989 2.984935 -0.159627 ESP Fit Center 798 is at 3.453209 3.402734 -0.159627 ESP Fit Center 799 is at 3.298184 3.794282 -0.159627 ESP Fit Center 800 is at 3.050656 4.134975 -0.159627 ESP Fit Center 801 is at 2.726178 4.403406 -0.159627 ESP Fit Center 802 is at 2.345138 4.582710 -0.159627 ESP Fit Center 803 is at 1.931477 4.661620 -0.159627 ESP Fit Center 804 is at 3.298184 2.175589 -0.159627 ESP Fit Center 805 is at 3.453209 2.567136 -0.159627 ESP Fit Center 806 is at 3.448744 2.984935 -0.594443 ESP Fit Center 807 is at 3.393450 3.404935 -0.594443 ESP Fit Center 808 is at 3.231336 3.796313 -0.594443 ESP Fit Center 809 is at 2.973450 4.132397 -0.594443 ESP Fit Center 810 is at 2.637367 4.390283 -0.594443 ESP Fit Center 811 is at 2.245989 4.552397 -0.594443 ESP Fit Center 812 is at 1.825989 4.607691 -0.594443 ESP Fit Center 813 is at 3.231336 2.173558 -0.594443 ESP Fit Center 814 is at 3.393450 2.564935 -0.594443 ESP Fit Center 815 is at 3.280912 2.984935 -0.999627 ESP Fit Center 816 is at 3.216274 3.413781 -0.999627 ESP Fit Center 817 is at 3.028103 3.804522 -0.999627 ESP Fit Center 818 is at 2.733119 4.122440 -0.999627 ESP Fit Center 819 is at 2.357532 4.339285 -0.999627 ESP Fit Center 820 is at 1.934716 4.435790 -0.999627 ESP Fit Center 821 is at 3.028103 2.165348 -0.999627 ESP Fit Center 822 is at 3.216274 2.556089 -0.999627 ESP Fit Center 823 is at 3.013928 2.984935 -1.347566 ESP Fit Center 824 is at 2.933710 3.414069 -1.347566 ESP Fit Center 825 is at 2.703887 3.785245 -1.347566 ESP Fit Center 826 is at 2.355499 4.048335 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5.154015 1.048658 ESP Fit Center 846 is at -0.621764 5.813677 0.654713 ESP Fit Center 847 is at -1.012565 5.668940 0.654713 ESP Fit Center 848 is at -1.366231 5.448498 0.654713 ESP Fit Center 849 is at -1.668283 5.161376 0.654713 ESP Fit Center 850 is at 1.834640 4.623413 0.245023 ESP Fit Center 851 is at 1.640579 4.986475 0.245023 ESP Fit Center 852 is at 1.379417 5.304702 0.245023 ESP Fit Center 853 is at 1.061190 5.565864 0.245023 ESP Fit Center 854 is at 0.698128 5.759924 0.245023 ESP Fit Center 855 is at 0.304182 5.879426 0.245023 ESP Fit Center 856 is at -0.515197 5.879426 0.245023 ESP Fit Center 857 is at -0.909143 5.759924 0.245023 ESP Fit Center 858 is at -1.272205 5.565864 0.245023 ESP Fit Center 859 is at -1.590432 5.304702 0.245023 ESP Fit Center 860 is at 1.584977 4.996389 -0.164667 ESP Fit Center 861 is at 1.313523 5.312596 -0.164667 ESP Fit Center 862 is at -1.668283 5.161376 -0.164667 ESP Fit Center 863 is at 1.655322 4.634424 -0.558612 ESP Fit Center 864 is at -1.767936 4.820028 -0.558612 ESP Fit Center 865 is at -1.590432 3.819777 -1.239901 ESP Fit Center 866 is at -1.530282 3.401426 -1.239901 ESP Fit Center 867 is at -1.354705 3.016967 -1.239901 ESP Fit Center 868 is at -1.252340 3.605397 -1.501063 ESP Fit Center 869 is at -1.097453 3.205590 -1.501063 ESP Fit Center 870 is at 1.785071 -0.096043 2.333008 ESP Fit Center 871 is at 2.177015 -0.115685 2.138947 ESP Fit Center 872 is at 0.808641 -0.581371 2.619682 ESP Fit Center 873 is at 1.243457 -0.581371 2.562437 ESP Fit Center 874 is at 1.026049 -0.204809 2.562437 ESP Fit Center 875 is at 0.591233 -0.204809 2.562437 ESP Fit Center 876 is at 0.373825 -0.581371 2.562437 ESP Fit Center 877 is at 0.591233 -0.957933 2.562437 ESP Fit Center 878 is at 1.026049 -0.957933 2.562437 ESP Fit Center 879 is at 1.648641 -0.581371 2.394604 ESP Fit Center 880 is at 1.536102 -0.161371 2.394604 ESP Fit Center 881 is at 0.081180 -0.161371 2.394604 ESP Fit Center 882 is at -0.031359 -0.581371 2.394604 ESP Fit Center 883 is at 0.081180 -1.001371 2.394604 ESP Fit Center 884 is at 0.388641 -1.308832 2.394604 ESP Fit Center 885 is at 0.808641 -1.421371 2.394604 ESP Fit Center 886 is at 1.228641 -1.308832 2.394604 ESP Fit Center 887 is at 1.536102 -1.001371 2.394604 ESP Fit Center 888 is at -0.359071 -0.363088 2.127621 ESP Fit Center 889 is at -0.201365 -1.206740 2.127621 ESP Fit Center 890 is at 0.092748 -1.529367 2.127621 ESP Fit Center 891 is at 0.483546 -1.723962 2.127621 ESP Fit Center 892 is at 0.918250 -1.764243 2.127621 ESP Fit Center 893 is at 1.338151 -1.644771 2.127621 ESP Fit Center 894 is at 0.081180 -1.841371 1.779682 ESP Fit Center 895 is at 0.484890 -1.999816 1.779682 ESP Fit Center 896 is at 0.917368 -2.032225 1.779682 ESP Fit Center 897 is at 1.340184 -1.935720 1.779682 ESP Fit Center 898 is at -0.002737 -1.986718 1.374498 ESP Fit Center 899 is at 0.388641 -2.148832 1.374498 ESP Fit Center 900 is at 0.808641 -2.204126 1.374498 ESP Fit Center 901 is at 1.228641 -2.148832 1.374498 ESP Fit Center 902 is at 0.093332 -2.101480 0.939682 ESP Fit Center 903 is at 0.493840 -2.231614 0.939682 ESP Fit Center 904 is at 0.914129 -2.258056 0.939682 ESP Fit Center 905 is at -0.002737 -1.986718 0.504866 ESP Fit Center 906 is at 0.388641 -2.148832 0.504866 ESP Fit Center 907 is at 0.808641 -2.204126 0.504866 ESP Fit Center 908 is at 0.081180 -1.841371 0.099682 ESP Fit Center 909 is at 0.484890 -1.999816 0.099682 ESP Fit Center 910 is at 0.092748 -1.529367 -0.248258 ESP Fit Center 911 is at 0.483546 -1.723962 -0.248258 ESP Fit Center 912 is at 0.622065 1.246553 3.210485 ESP Fit Center 913 is at 0.425093 2.297323 3.090983 ESP Fit Center 914 is at 0.425093 0.905386 3.090983 ESP Fit Center 915 is at 0.826910 0.797719 3.090983 ESP Fit Center 916 is at 0.507628 2.723514 2.896922 ESP Fit Center 917 is at 0.507628 0.479195 2.896922 ESP Fit Center 918 is at 0.934559 0.439634 2.896922 ESP Fit Center 919 is at 0.615583 3.071164 2.635760 ESP Fit Center 920 is at 0.210050 2.952089 2.635760 ESP Fit Center 921 is at 0.210050 0.250620 2.635760 ESP Fit Center 922 is at 0.615583 0.131544 2.635760 ESP Fit Center 923 is at 1.038237 0.131544 2.635760 ESP Fit Center 924 is at 1.443770 0.250620 2.635760 ESP Fit Center 925 is at 1.037378 3.334710 2.317534 ESP Fit Center 926 is at 1.345954 3.470783 1.954471 ESP Fit Center 927 is at -0.139779 1.559324 3.321535 ESP Fit Center 928 is at 0.295037 1.559324 3.264290 ESP Fit Center 929 is at 0.077629 1.935885 3.264290 ESP Fit Center 930 is at -0.357187 1.935885 3.264290 ESP Fit Center 931 is at -0.574595 1.559324 3.264290 ESP Fit Center 932 is at -0.357187 1.182762 3.264290 ESP Fit Center 933 is at 0.077629 1.182762 3.264290 ESP Fit Center 934 is at 0.280221 2.286785 3.096458 ESP Fit Center 935 is at -0.139779 2.399324 3.096458 ESP Fit Center 936 is at -0.559779 2.286785 3.096458 ESP Fit Center 937 is at -0.867240 1.979324 3.096458 ESP Fit Center 938 is at -0.979779 1.559324 3.096458 ESP Fit Center 939 is at -0.867240 1.139324 3.096458 ESP Fit Center 940 is at -0.559779 0.831862 3.096458 ESP Fit Center 941 is at -0.139779 0.719324 3.096458 ESP Fit Center 942 is at 0.280221 0.831862 3.096458 ESP Fit Center 943 is at -0.030170 2.742195 2.829474 ESP Fit Center 944 is at -0.464874 2.701914 2.829474 ESP Fit Center 945 is at -0.855672 2.507320 2.829474 ESP Fit Center 946 is at -1.149785 2.184693 2.829474 ESP Fit Center 947 is at -1.307491 1.777607 2.829474 ESP Fit Center 948 is at -1.307491 1.341040 2.829474 ESP Fit Center 949 is at -1.149785 0.933954 2.829474 ESP Fit Center 950 is at -0.855672 0.611328 2.829474 ESP Fit Center 951 is at -0.464874 0.416733 2.829474 ESP Fit Center 952 is at -0.030170 0.376452 2.829474 ESP Fit Center 953 is at -0.031052 3.010178 2.481535 ESP Fit Center 954 is at -0.463530 2.977768 2.481535 ESP Fit Center 955 is at -0.867240 2.819324 2.481535 ESP Fit Center 956 is at -1.206313 2.548922 2.481535 ESP Fit Center 957 is at -1.450619 2.190591 2.481535 ESP Fit Center 958 is at -1.578451 1.776169 2.481535 ESP Fit Center 959 is at -1.578451 1.342479 2.481535 ESP Fit Center 960 is at -1.450619 0.928056 2.481535 ESP Fit Center 961 is at -1.206313 0.569725 2.481535 ESP Fit Center 962 is at -0.867240 0.299324 2.481535 ESP Fit Center 963 is at -0.463530 0.140879 2.481535 ESP Fit Center 964 is at -0.031052 0.108469 2.481535 ESP Fit Center 965 is at -0.951157 2.964671 2.076351 ESP Fit Center 966 is at -1.287240 2.706785 2.076351 ESP Fit Center 967 is at -1.545126 2.370701 2.076351 ESP Fit Center 968 is at -1.707240 1.979324 2.076351 ESP Fit Center 969 is at -1.762534 1.559324 2.076351 ESP Fit Center 970 is at -1.707240 1.139324 2.076351 ESP Fit Center 971 is at -1.545126 0.747946 2.076351 ESP Fit Center 972 is at -1.287240 0.411862 2.076351 ESP Fit Center 973 is at -0.559779 -0.008138 2.076351 ESP Fit Center 974 is at -1.701803 2.177773 1.641535 ESP Fit Center 975 is at -1.806532 1.769883 1.641535 ESP Fit Center 976 is at -1.806532 1.348764 1.641535 ESP Fit Center 977 is at -1.707240 1.979324 1.206719 ESP Fit Center 978 is at -1.762534 1.559324 1.206719 ESP Fit Center 979 is at -1.578451 1.776169 0.801535 ESP Fit Center 980 is at 1.593883 1.800853 3.569789 ESP Fit Center 981 is at 2.028699 1.800853 3.512544 ESP Fit Center 982 is at 1.811291 2.177415 3.512544 ESP Fit Center 983 is at 1.376475 2.177415 3.512544 ESP Fit Center 984 is at 1.159067 1.800853 3.512544 ESP Fit Center 985 is at 1.376475 1.424291 3.512544 ESP Fit Center 986 is at 1.811291 1.424291 3.512544 ESP Fit Center 987 is at 2.433883 1.800853 3.344711 ESP Fit Center 988 is at 2.321344 2.220853 3.344711 ESP Fit Center 989 is at 2.013883 2.528314 3.344711 ESP Fit Center 990 is at 1.593883 2.640853 3.344711 ESP Fit Center 991 is at 1.173883 2.528314 3.344711 ESP Fit Center 992 is at 0.866422 2.220853 3.344711 ESP Fit Center 993 is at 0.753883 1.800853 3.344711 ESP Fit Center 994 is at 0.866422 1.380853 3.344711 ESP Fit Center 995 is at 1.173883 1.073392 3.344711 ESP Fit Center 996 is at 1.593883 0.960853 3.344711 ESP Fit Center 997 is at 2.013883 1.073392 3.344711 ESP Fit Center 998 is at 2.321344 1.380853 3.344711 ESP Fit Center 999 is at 2.781822 1.800853 3.077728 ESP Fit Center 1000 is at 2.701604 2.229986 3.077728 ESP Fit Center 1001 is at 2.471781 2.601163 3.077728 ESP Fit Center 1002 is at 2.123393 2.864253 3.077728 ESP Fit Center 1003 is at 1.703492 2.983725 3.077728 ESP Fit Center 1004 is at 1.268788 2.943444 3.077728 ESP Fit Center 1005 is at 0.877990 2.748849 3.077728 ESP Fit Center 1006 is at 0.583877 2.426222 3.077728 ESP Fit Center 1007 is at 1.268788 0.658262 3.077728 ESP Fit Center 1008 is at 1.703492 0.617981 3.077728 ESP Fit Center 1009 is at 2.123393 0.737453 3.077728 ESP Fit Center 1010 is at 2.471781 1.000543 3.077728 ESP Fit Center 1011 is at 2.701604 1.371720 3.077728 ESP Fit Center 1012 is at 3.048806 1.800853 2.729789 ESP Fit Center 1013 is at 2.984168 2.229699 2.729789 ESP Fit Center 1014 is at 2.795997 2.620440 2.729789 ESP Fit Center 1015 is at 2.501013 2.938357 2.729789 ESP Fit Center 1016 is at 2.125426 3.155202 2.729789 ESP Fit Center 1017 is at 1.702610 3.251707 2.729789 ESP Fit Center 1018 is at 1.270132 3.219298 2.729789 ESP Fit Center 1019 is at 0.866422 3.060853 2.729789 ESP Fit Center 1020 is at 1.702610 0.349999 2.729789 ESP Fit Center 1021 is at 2.125426 0.446504 2.729789 ESP Fit Center 1022 is at 2.501013 0.663349 2.729789 ESP Fit Center 1023 is at 2.795997 0.981266 2.729789 ESP Fit Center 1024 is at 2.984168 1.372007 2.729789 ESP Fit Center 1025 is at 3.216638 1.800853 2.324605 ESP Fit Center 1026 is at 3.161344 2.220853 2.324605 ESP Fit Center 1027 is at 2.999230 2.612231 2.324605 ESP Fit Center 1028 is at 2.741344 2.948314 2.324605 ESP Fit Center 1029 is at 2.405261 3.206200 2.324605 ESP Fit Center 1030 is at 2.013883 3.368314 2.324605 ESP Fit Center 1031 is at 1.593883 3.423608 2.324605 ESP Fit Center 1032 is at 1.173883 3.368314 2.324605 ESP Fit Center 1033 is at 2.013883 0.233392 2.324605 ESP Fit Center 1034 is at 2.405261 0.395506 2.324605 ESP Fit Center 1035 is at 2.741344 0.653392 2.324605 ESP Fit Center 1036 is at 2.999230 0.989475 2.324605 ESP Fit Center 1037 is at 3.161344 1.380853 2.324605 ESP Fit Center 1038 is at 3.273883 1.800853 1.889789 ESP Fit Center 1039 is at 3.221103 2.218652 1.889789 ESP Fit Center 1040 is at 3.066078 2.610199 1.889789 ESP Fit Center 1041 is at 2.818550 2.950892 1.889789 ESP Fit Center 1042 is at 2.494072 3.219324 1.889789 ESP Fit Center 1043 is at 2.113032 3.398628 1.889789 ESP Fit Center 1044 is at 1.699371 3.477538 1.889789 ESP Fit Center 1045 is at 3.066078 0.991507 1.889789 ESP Fit Center 1046 is at 3.221103 1.383054 1.889789 ESP Fit Center 1047 is at 3.216638 1.800853 1.454973 ESP Fit Center 1048 is at 3.161344 2.220853 1.454973 ESP Fit Center 1049 is at 2.999230 2.612231 1.454973 ESP Fit Center 1050 is at 2.741344 2.948314 1.454973 ESP Fit Center 1051 is at 2.405261 3.206200 1.454973 ESP Fit Center 1052 is at 2.984168 2.229699 1.049789 ESP Fit Center 1053 is at 2.458060 0.286237 2.033553 ESP Fit Center 1054 is at 2.865567 0.286237 1.990723 ESP Fit Center 1055 is at 3.148459 0.684839 1.864103 ESP Fit Center 1056 is at 3.532323 0.702409 1.659227 ESP Fit Center 1057 is at 3.309442 1.062374 1.659227 ESP Fit Center 1058 is at 3.683399 1.073715 1.385049 ESP Fit Center 1059 is at 3.411906 1.387034 1.385049 ESP Fit Center 1060 is at 3.945511 1.103970 1.053553 ESP Fit Center 1061 is at 3.695418 1.448194 1.053553 ESP Fit Center 1062 is at 3.367577 1.719407 1.053553 ESP Fit Center 1063 is at 3.915449 1.448466 0.679227 ESP Fit Center 1064 is at 3.620289 1.743626 0.679227 ESP Fit Center 1065 is at 3.266850 1.965707 0.679227 ESP Fit Center 1066 is at 4.009855 1.465880 0.278429 ESP Fit Center 1067 is at 3.719986 1.771891 0.278429 ESP Fit Center 1068 is at 3.371111 2.008434 0.278429 ESP Fit Center 1069 is at 4.009855 1.465880 -0.131322 ESP Fit Center 1070 is at 3.719986 1.771891 -0.131322 ESP Fit Center 1071 is at 3.371111 2.008434 -0.131322 ESP Fit Center 1072 is at 3.915449 1.448466 -0.532120 ESP Fit Center 1073 is at 3.620289 1.743626 -0.532120 ESP Fit Center 1074 is at 3.266850 1.965707 -0.532120 ESP Fit Center 1075 is at 3.695418 1.448194 -0.906447 ESP Fit Center 1076 is at 3.367577 1.719407 -0.906447 ESP Fit Center 1077 is at 2.982588 1.900569 -0.906447 ESP Fit Center 1078 is at 3.411906 1.387034 -1.237943 ESP Fit Center 1079 is at 3.063138 1.611174 -1.237943 ESP Fit Center 1080 is at 2.665350 1.727975 -1.237943 ESP Fit Center 1081 is at 3.309442 1.062374 -1.512120 ESP Fit Center 1082 is at 2.971577 1.317518 -1.512120 ESP Fit Center 1083 is at 2.564358 1.433381 -1.512120 ESP Fit Center 1084 is at 2.856662 0.976636 -1.716996 ESP Fit Center 1085 is at 2.458060 1.083441 -1.716996 ESP Fit Center 1086 is at 2.661813 0.639148 -1.843616 ESP Fit Center 1087 is at 2.254306 0.639148 -1.843616 ESP Fit Center 1088 is at 0.214428 4.392496 2.794422 ESP Fit Center 1089 is at 0.649244 4.392496 2.737178 ESP Fit Center 1090 is at 0.431836 4.769058 2.737178 ESP Fit Center 1091 is at -0.002980 4.769058 2.737178 ESP Fit Center 1092 is at -0.220388 4.392496 2.737178 ESP Fit Center 1093 is at -0.002980 4.015934 2.737178 ESP Fit Center 1094 is at 0.431836 4.015934 2.737178 ESP Fit Center 1095 is at 1.054428 4.392496 2.569345 ESP Fit Center 1096 is at 0.941890 4.812496 2.569345 ESP Fit Center 1097 is at 0.634428 5.119957 2.569345 ESP Fit Center 1098 is at 0.214428 5.232496 2.569345 ESP Fit Center 1099 is at -0.205572 5.119957 2.569345 ESP Fit Center 1100 is at -0.513033 4.812496 2.569345 ESP Fit Center 1101 is at -0.625572 4.392496 2.569345 ESP Fit Center 1102 is at -0.513033 3.972496 2.569345 ESP Fit Center 1103 is at -0.205572 3.665034 2.569345 ESP Fit Center 1104 is at 0.214428 3.552496 2.569345 ESP Fit Center 1105 is at 0.634428 3.665034 2.569345 ESP Fit Center 1106 is at 0.941890 3.972496 2.569345 ESP Fit Center 1107 is at 1.402368 4.392496 2.302362 ESP Fit Center 1108 is at 1.322149 4.821629 2.302362 ESP Fit Center 1109 is at 1.092326 5.192805 2.302362 ESP Fit Center 1110 is at 0.743938 5.455896 2.302362 ESP Fit Center 1111 is at 0.324038 5.575368 2.302362 ESP Fit Center 1112 is at -0.110667 5.535086 2.302362 ESP Fit Center 1113 is at -0.501465 5.340492 2.302362 ESP Fit Center 1114 is at -0.795578 5.017865 2.302362 ESP Fit Center 1115 is at -0.953284 4.610779 2.302362 ESP Fit Center 1116 is at -0.953284 4.174213 2.302362 ESP Fit Center 1117 is at -0.795578 3.767126 2.302362 ESP Fit Center 1118 is at -0.501465 3.444500 2.302362 ESP Fit Center 1119 is at -0.110667 3.249905 2.302362 ESP Fit Center 1120 is at 1.092326 3.592186 2.302362 ESP Fit Center 1121 is at 1.322149 3.963363 2.302362 ESP Fit Center 1122 is at 1.669351 4.392496 1.954422 ESP Fit Center 1123 is at 1.604713 4.821342 1.954422 ESP Fit Center 1124 is at 1.416542 5.212083 1.954422 ESP Fit Center 1125 is at 1.121558 5.530000 1.954422 ESP Fit Center 1126 is at 0.745971 5.746845 1.954422 ESP Fit Center 1127 is at 0.323155 5.843350 1.954422 ESP Fit Center 1128 is at -0.109322 5.810941 1.954422 ESP Fit Center 1129 is at -0.513033 5.652496 1.954422 ESP Fit Center 1130 is at -0.852105 5.382095 1.954422 ESP Fit Center 1131 is at -1.096412 5.023763 1.954422 ESP Fit Center 1132 is at -1.224244 4.609341 1.954422 ESP Fit Center 1133 is at 1.416542 3.572909 1.954422 ESP Fit Center 1134 is at 1.604713 3.963650 1.954422 ESP Fit Center 1135 is at 1.837184 4.392496 1.549238 ESP Fit Center 1136 is at 1.781890 4.812496 1.549238 ESP Fit Center 1137 is at 1.619776 5.203874 1.549238 ESP Fit Center 1138 is at 1.361890 5.539957 1.549238 ESP Fit Center 1139 is at 1.025806 5.797843 1.549238 ESP Fit Center 1140 is at 0.634428 5.959957 1.549238 ESP Fit Center 1141 is at 0.214428 6.015251 1.549238 ESP Fit Center 1142 is at -0.205572 5.959957 1.549238 ESP Fit Center 1143 is at -0.596949 5.797843 1.549238 ESP Fit Center 1144 is at -0.933033 5.539957 1.549238 ESP Fit Center 1145 is at -1.190919 5.203874 1.549238 ESP Fit Center 1146 is at 1.781890 3.972496 1.549238 ESP Fit Center 1147 is at 1.894428 4.392496 1.114422 ESP Fit Center 1148 is at 1.841648 4.810295 1.114422 ESP Fit Center 1149 is at 1.686624 5.201842 1.114422 ESP Fit Center 1150 is at 1.439096 5.542535 1.114422 ESP Fit Center 1151 is at 1.114617 5.810967 1.114422 ESP Fit Center 1152 is at 0.733577 5.990271 1.114422 ESP Fit Center 1153 is at 0.319916 6.069181 1.114422 ESP Fit Center 1154 is at -0.100372 6.042738 1.114422 ESP Fit Center 1155 is at -0.500881 5.912605 1.114422 ESP Fit Center 1156 is at -0.856444 5.686958 1.114422 ESP Fit Center 1157 is at 1.781890 4.812496 0.679606 ESP Fit Center 1158 is at 1.619776 5.203874 0.679606 ESP Fit Center 1159 is at 1.361890 5.539957 0.679606 ESP Fit Center 1160 is at 1.025806 5.797843 0.679606 ESP Fit Center 1161 is at 0.634428 5.959957 0.679606 ESP Fit Center 1162 is at 0.214428 6.015251 0.679606 ESP Fit Center 1163 is at -0.205572 5.959957 0.679606 ESP Fit Center 1164 is at 1.121558 5.530000 0.274422 ESP Fit Center 1165 is at 0.745971 5.746845 0.274422 ESP Fit Center 1166 is at -1.124461 3.484149 2.084908 ESP Fit Center 1167 is at -1.341869 3.860710 2.027664 ESP Fit Center 1168 is at -1.559277 3.484149 2.027664 ESP Fit Center 1169 is at -1.341869 3.107587 2.027664 ESP Fit Center 1170 is at -1.544461 4.211610 1.859831 ESP Fit Center 1171 is at -1.851923 3.904149 1.859831 ESP Fit Center 1172 is at -1.964461 3.484149 1.859831 ESP Fit Center 1173 is at -1.851923 3.064149 1.859831 ESP Fit Center 1174 is at -1.544461 2.756687 1.859831 ESP Fit Center 1175 is at -1.840355 4.432145 1.592848 ESP Fit Center 1176 is at -2.134468 4.109518 1.592848 ESP Fit Center 1177 is at -2.292174 3.702432 1.592848 ESP Fit Center 1178 is at -2.292174 3.265865 1.592848 ESP Fit Center 1179 is at -2.134468 2.858779 1.592848 ESP Fit Center 1180 is at -1.840355 2.536153 1.592848 ESP Fit Center 1181 is at -1.851923 4.744149 1.244908 ESP Fit Center 1182 is at -2.190995 4.473748 1.244908 ESP Fit Center 1183 is at -2.435301 4.115416 1.244908 ESP Fit Center 1184 is at -2.563134 3.700994 1.244908 ESP Fit Center 1185 is at -2.563134 3.267304 1.244908 ESP Fit Center 1186 is at -2.435301 2.852881 1.244908 ESP Fit Center 1187 is at -2.190995 2.494550 1.244908 ESP Fit Center 1188 is at -1.851923 2.224149 1.244908 ESP Fit Center 1189 is at -1.935839 4.889496 0.839724 ESP Fit Center 1190 is at -2.271923 4.631610 0.839724 ESP Fit Center 1191 is at -2.529809 4.295526 0.839724 ESP Fit Center 1192 is at -2.691923 3.904149 0.839724 ESP Fit Center 1193 is at -2.747217 3.484149 0.839724 ESP Fit Center 1194 is at -2.691923 3.064149 0.839724 ESP Fit Center 1195 is at -2.529809 2.672771 0.839724 ESP Fit Center 1196 is at -2.271923 2.336687 0.839724 ESP Fit Center 1197 is at -1.935839 2.078801 0.839724 ESP Fit Center 1198 is at -1.839771 5.004258 0.404908 ESP Fit Center 1199 is at -2.195334 4.778611 0.404908 ESP Fit Center 1200 is at -2.483610 4.471628 0.404908 ESP Fit Center 1201 is at -2.686486 4.102598 0.404908 ESP Fit Center 1202 is at -2.791214 3.694709 0.404908 ESP Fit Center 1203 is at -2.791214 3.273589 0.404908 ESP Fit Center 1204 is at -2.686486 2.865700 0.404908 ESP Fit Center 1205 is at -2.483610 2.496670 0.404908 ESP Fit Center 1206 is at -2.195334 2.189687 0.404908 ESP Fit Center 1207 is at -1.839771 1.964039 0.404908 ESP Fit Center 1208 is at -1.935839 4.889496 -0.029908 ESP Fit Center 1209 is at -2.271923 4.631610 -0.029908 ESP Fit Center 1210 is at -2.529809 4.295526 -0.029908 ESP Fit Center 1211 is at -2.691923 3.904149 -0.029908 ESP Fit Center 1212 is at -2.747217 3.484149 -0.029908 ESP Fit Center 1213 is at -2.691923 3.064149 -0.029908 ESP Fit Center 1214 is at -2.529809 2.672771 -0.029908 ESP Fit Center 1215 is at -2.271923 2.336687 -0.029908 ESP Fit Center 1216 is at -2.190995 4.473748 -0.435092 ESP Fit Center 1217 is at -2.435301 4.115416 -0.435092 ESP Fit Center 1218 is at -2.563134 3.700994 -0.435092 ESP Fit Center 1219 is at -2.563134 3.267304 -0.435092 ESP Fit Center 1220 is at -2.435301 2.852881 -0.435092 ESP Fit Center 1221 is at -2.190995 2.494550 -0.435092 ESP Fit Center 1222 is at -1.840355 4.432145 -0.783031 ESP Fit Center 1223 is at -2.134468 4.109518 -0.783031 ESP Fit Center 1224 is at -2.292174 3.702432 -0.783031 ESP Fit Center 1225 is at -2.292174 3.265865 -0.783031 ESP Fit Center 1226 is at -2.134468 2.858779 -0.783031 ESP Fit Center 1227 is at -1.840355 2.536153 -0.783031 ESP Fit Center 1228 is at -1.851923 3.904149 -1.050014 ESP Fit Center 1229 is at -1.964461 3.484149 -1.050014 ESP Fit Center 1230 is at -1.851923 3.064149 -1.050014 ESP Fit Center 1231 is at -1.544461 2.756687 -1.050014 ESP Fit Center 1232 is at 0.011791 5.930656 0.222029 ESP Fit Center 1233 is at -0.420686 5.898247 0.222029 ESP Fit Center 1234 is at 1.050526 5.627263 -0.183156 ESP Fit Center 1235 is at 0.714443 5.885149 -0.183156 ESP Fit Center 1236 is at 0.323065 6.047263 -0.183156 ESP Fit Center 1237 is at -0.096935 6.102557 -0.183156 ESP Fit Center 1238 is at -0.516935 6.047263 -0.183156 ESP Fit Center 1239 is at -0.908313 5.885149 -0.183156 ESP Fit Center 1240 is at -1.244396 5.627263 -0.183156 ESP Fit Center 1241 is at 1.530285 4.897601 -0.617971 ESP Fit Center 1242 is at 1.375260 5.289148 -0.617971 ESP Fit Center 1243 is at 1.127732 5.629841 -0.617971 ESP Fit Center 1244 is at 0.803254 5.898273 -0.617971 ESP Fit Center 1245 is at 0.422214 6.077577 -0.617971 ESP Fit Center 1246 is at 0.008553 6.156487 -0.617971 ESP Fit Center 1247 is at -0.411736 6.130045 -0.617971 ESP Fit Center 1248 is at -0.812244 5.999911 -0.617971 ESP Fit Center 1249 is at -1.167807 5.774264 -0.617971 ESP Fit Center 1250 is at -1.456084 5.467281 -0.617971 ESP Fit Center 1251 is at -1.658960 5.098251 -0.617971 ESP Fit Center 1252 is at 1.525820 4.479802 -1.052787 ESP Fit Center 1253 is at 1.470526 4.899802 -1.052787 ESP Fit Center 1254 is at 1.308412 5.291180 -1.052787 ESP Fit Center 1255 is at 1.050526 5.627263 -1.052787 ESP Fit Center 1256 is at 0.714443 5.885149 -1.052787 ESP Fit Center 1257 is at 0.323065 6.047263 -1.052787 ESP Fit Center 1258 is at -0.096935 6.102557 -1.052787 ESP Fit Center 1259 is at -0.516935 6.047263 -1.052787 ESP Fit Center 1260 is at -0.908313 5.885149 -1.052787 ESP Fit Center 1261 is at -1.244396 5.627263 -1.052787 ESP Fit Center 1262 is at -1.502282 5.291180 -1.052787 ESP Fit Center 1263 is at -1.664396 4.899802 -1.052787 ESP Fit Center 1264 is at -1.719690 4.479802 -1.052787 ESP Fit Center 1265 is at 1.357988 4.479802 -1.457971 ESP Fit Center 1266 is at 1.293350 4.908648 -1.457971 ESP Fit Center 1267 is at 1.105179 5.299389 -1.457971 ESP Fit Center 1268 is at 0.810194 5.617306 -1.457971 ESP Fit Center 1269 is at 0.434608 5.834151 -1.457971 ESP Fit Center 1270 is at 0.011791 5.930656 -1.457971 ESP Fit Center 1271 is at -0.420686 5.898247 -1.457971 ESP Fit Center 1272 is at -0.824396 5.739802 -1.457971 ESP Fit Center 1273 is at -1.163469 5.469401 -1.457971 ESP Fit Center 1274 is at -1.407775 5.111069 -1.457971 ESP Fit Center 1275 is at -1.535607 4.696647 -1.457971 ESP Fit Center 1276 is at -1.535607 4.262957 -1.457971 ESP Fit Center 1277 is at -1.407775 3.848535 -1.457971 ESP Fit Center 1278 is at 1.293350 4.050956 -1.457971 ESP Fit Center 1279 is at 1.091004 4.479802 -1.805911 ESP Fit Center 1280 is at 1.010785 4.908935 -1.805911 ESP Fit Center 1281 is at 0.780963 5.280112 -1.805911 ESP Fit Center 1282 is at 0.432575 5.543202 -1.805911 ESP Fit Center 1283 is at 0.012674 5.662674 -1.805911 ESP Fit Center 1284 is at -0.422030 5.622393 -1.805911 ESP Fit Center 1285 is at -0.812828 5.427798 -1.805911 ESP Fit Center 1286 is at -1.106941 5.105172 -1.805911 ESP Fit Center 1287 is at -1.264647 4.698085 -1.805911 ESP Fit Center 1288 is at -1.264647 4.261519 -1.805911 ESP Fit Center 1289 is at -1.106941 3.854433 -1.805911 ESP Fit Center 1290 is at -0.812828 3.531806 -1.805911 ESP Fit Center 1291 is at 1.010785 4.050669 -1.805911 ESP Fit Center 1292 is at 0.743065 4.479802 -2.072894 ESP Fit Center 1293 is at 0.630526 4.899802 -2.072894 ESP Fit Center 1294 is at 0.323065 5.207263 -2.072894 ESP Fit Center 1295 is at -0.096935 5.319802 -2.072894 ESP Fit Center 1296 is at -0.516935 5.207263 -2.072894 ESP Fit Center 1297 is at -0.824396 4.899802 -2.072894 ESP Fit Center 1298 is at -0.936935 4.479802 -2.072894 ESP Fit Center 1299 is at -0.824396 4.059802 -2.072894 ESP Fit Center 1300 is at -0.516935 3.752341 -2.072894 ESP Fit Center 1301 is at -0.096935 3.639802 -2.072894 ESP Fit Center 1302 is at 0.323065 3.752341 -2.072894 ESP Fit Center 1303 is at 0.630526 4.059802 -2.072894 ESP Fit Center 1304 is at 0.337881 4.479802 -2.240727 ESP Fit Center 1305 is at 0.120473 4.856364 -2.240727 ESP Fit Center 1306 is at -0.314343 4.856364 -2.240727 ESP Fit Center 1307 is at -0.531751 4.479802 -2.240727 ESP Fit Center 1308 is at -0.314343 4.103240 -2.240727 ESP Fit Center 1309 is at 0.120473 4.103240 -2.240727 ESP Fit Center 1310 is at -0.096935 4.479802 -2.297971 ESP Fit Center 1311 is at 3.595097 0.402891 1.852244 ESP Fit Center 1312 is at 4.387331 0.374605 1.570360 ESP Fit Center 1313 is at 4.014526 0.589844 1.570360 ESP Fit Center 1314 is at 4.733670 0.416515 1.241920 ESP Fit Center 1315 is at 4.396118 0.677799 1.241920 ESP Fit Center 1316 is at 4.012880 0.865787 1.241920 ESP Fit Center 1317 is at 4.308836 0.953261 0.875883 ESP Fit Center 1318 is at 1.318096 -2.327424 0.875883 ESP Fit Center 1319 is at 1.574737 -2.667271 0.875883 ESP Fit Center 1320 is at 4.670913 -2.954174 0.875883 ESP Fit Center 1321 is at 4.985631 -2.667271 0.875883 ESP Fit Center 1322 is at 5.242272 -2.327424 0.875883 ESP Fit Center 1323 is at 1.164580 -2.333996 0.482234 ESP Fit Center 1324 is at 2.444667 -3.408116 0.482234 ESP Fit Center 1325 is at 2.855981 -3.518327 0.482234 ESP Fit Center 1326 is at 3.280184 -3.555440 0.482234 ESP Fit Center 1327 is at 3.704387 -3.518327 0.482234 ESP Fit Center 1328 is at 4.115701 -3.408116 0.482234 ESP Fit Center 1329 is at 4.501628 -3.228155 0.482234 ESP Fit Center 1330 is at 4.850443 -2.983912 0.482234 ESP Fit Center 1331 is at 5.151545 -2.682810 0.482234 ESP Fit Center 1332 is at 5.395788 -2.333996 0.482234 ESP Fit Center 1333 is at 4.216573 1.217743 0.071710 ESP Fit Center 1334 is at 3.386771 -3.621681 0.071710 ESP Fit Center 1335 is at 3.809282 -3.567577 0.071710 ESP Fit Center 1336 is at 4.216573 -3.442845 0.071710 ESP Fit Center 1337 is at 4.596926 -3.251075 0.071710 ESP Fit Center 1338 is at 4.939398 -2.997784 0.071710 ESP Fit Center 1339 is at 5.234138 -2.690258 0.071710 ESP Fit Center 1340 is at 4.216573 1.217743 -0.344490 ESP Fit Center 1341 is at 3.809282 -3.567577 -0.344490 ESP Fit Center 1342 is at 4.216573 -3.442845 -0.344490 ESP Fit Center 1343 is at 4.596926 -3.251075 -0.344490 ESP Fit Center 1344 is at 4.939398 -2.997784 -0.344490 ESP Fit Center 1345 is at 5.234138 -2.690258 -0.344490 ESP Fit Center 1346 is at 4.115701 1.183013 -0.755013 ESP Fit Center 1347 is at 4.115701 -3.408116 -0.755013 ESP Fit Center 1348 is at 4.501628 -3.228155 -0.755013 ESP Fit Center 1349 is at 4.850443 -2.983912 -0.755013 ESP Fit Center 1350 is at 5.151545 -2.682810 -0.755013 ESP Fit Center 1351 is at 3.911729 1.107101 -1.148662 ESP Fit Center 1352 is at 4.308836 -3.178363 -1.148662 ESP Fit Center 1353 is at 4.670913 -2.954174 -1.148662 ESP Fit Center 1354 is at 4.985631 -2.667271 -1.148662 ESP Fit Center 1355 is at 4.012880 0.865787 -1.514699 ESP Fit Center 1356 is at 3.599645 0.972780 -1.514699 ESP Fit Center 1357 is at 4.396118 -2.902902 -1.514699 ESP Fit Center 1358 is at 4.733670 -2.641617 -1.514699 ESP Fit Center 1359 is at 5.011715 -2.317733 -1.514699 ESP Fit Center 1360 is at 4.014526 0.589844 -1.843139 ESP Fit Center 1361 is at 3.602132 0.713306 -1.843139 ESP Fit Center 1362 is at 3.172382 0.738336 -1.843139 ESP Fit Center 1363 is at 2.748444 0.663585 -1.843139 ESP Fit Center 1364 is at 4.387331 -2.599707 -1.843139 ESP Fit Center 1365 is at 4.700449 -2.304295 -1.843139 ESP Fit Center 1366 is at 3.992280 0.261732 -2.125024 ESP Fit Center 1367 is at 3.595097 0.402891 -2.125024 ESP Fit Center 1368 is at 3.174557 0.431657 -2.125024 ESP Fit Center 1369 is at 2.761852 0.345895 -2.125024 ESP Fit Center 1370 is at 2.387589 0.151968 -2.125024 ESP Fit Center 1371 is at 4.336651 -2.243751 -2.125024 ESP Fit Center 1372 is at 4.602668 -1.916772 -2.125024 ESP Fit Center 1373 is at 4.479571 -1.112551 -2.352664 ESP Fit Center 1374 is at 4.198968 -0.341600 -2.352664 ESP Fit Center 1375 is at 3.879878 -0.073851 -2.352664 ESP Fit Center 1376 is at 3.488455 0.068615 -2.352664 ESP Fit Center 1377 is at 3.071913 0.068615 -2.352664 ESP Fit Center 1378 is at 2.680490 -0.073851 -2.352664 ESP Fit Center 1379 is at 2.361400 -0.341600 -2.352664 ESP Fit Center 1380 is at 3.879878 -2.151251 -2.352664 ESP Fit Center 1381 is at 4.198968 -1.883503 -2.352664 ESP Fit Center 1382 is at 4.407240 -1.522766 -2.352664 ESP Fit Center 1383 is at 4.098427 -1.112551 -2.519849 ESP Fit Center 1384 is at 3.988803 -0.703430 -2.519849 ESP Fit Center 1385 is at 3.689305 -0.403932 -2.519849 ESP Fit Center 1386 is at 3.280184 -0.294309 -2.519849 ESP Fit Center 1387 is at 2.871063 -0.403932 -2.519849 ESP Fit Center 1388 is at 2.571565 -0.703430 -2.519849 ESP Fit Center 1389 is at 3.689305 -1.821170 -2.519849 ESP Fit Center 1390 is at 3.988803 -1.521673 -2.519849 ESP Fit Center 1391 is at 3.694962 -1.112551 -2.622020 ESP Fit Center 1392 is at 3.487573 -0.753343 -2.622020 ESP Fit Center 1393 is at 3.072795 -0.753343 -2.622020 ESP Fit Center 1394 is at 3.487573 -1.471760 -2.622020 ESP Fit Center 1395 is at 3.280184 -1.112551 -2.656390 ESP Fit Center 1396 is at 5.365478 -0.324192 1.371885 ESP Fit Center 1397 is at 5.073681 -0.032396 1.371885 ESP Fit Center 1398 is at 5.827138 -0.722794 1.167009 ESP Fit Center 1399 is at 5.749342 -0.306623 1.167009 ESP Fit Center 1400 is at 5.526461 0.053343 1.167009 ESP Fit Center 1401 is at 5.188596 0.308487 1.167009 ESP Fit Center 1402 is at 5.526461 -1.498932 1.167009 ESP Fit Center 1403 is at 5.749342 -1.138966 1.167009 ESP Fit Center 1404 is at 6.131643 -0.722794 0.892832 ESP Fit Center 1405 is at 6.072642 -0.312433 0.892832 ESP Fit Center 1406 is at 5.900418 0.064683 0.892832 ESP Fit Center 1407 is at 5.628925 0.378003 0.892832 ESP Fit Center 1408 is at 5.280157 0.602143 0.892832 ESP Fit Center 1409 is at 4.882370 0.718944 0.892832 ESP Fit Center 1410 is at 5.628925 -1.823592 0.892832 ESP Fit Center 1411 is at 5.900418 -1.510272 0.892832 ESP Fit Center 1412 is at 6.072642 -1.133156 0.892832 ESP Fit Center 1413 is at 6.372489 -0.722794 0.561336 ESP Fit Center 1414 is at 6.319161 -0.300666 0.561336 ESP Fit Center 1415 is at 6.162530 0.094939 0.561336 ESP Fit Center 1416 is at 5.912437 0.439163 0.561336 ESP Fit Center 1417 is at 5.584597 0.710376 0.561336 ESP Fit Center 1418 is at 5.199607 0.891538 0.561336 ESP Fit Center 1419 is at 4.781660 0.971266 0.561336 ESP Fit Center 1420 is at 5.584597 -2.155965 0.561336 ESP Fit Center 1421 is at 5.912437 -1.884751 0.561336 ESP Fit Center 1422 is at 6.162530 -1.540528 0.561336 ESP Fit Center 1423 is at 6.319161 -1.144923 0.561336 ESP Fit Center 1424 is at 6.539150 -0.722794 0.187009 ESP Fit Center 1425 is at 6.492413 -0.308000 0.187009 ESP Fit Center 1426 is at 6.354549 0.085996 0.187009 ESP Fit Center 1427 is at 6.132468 0.439435 0.187009 ESP Fit Center 1428 is at 5.837308 0.734595 0.187009 ESP Fit Center 1429 is at 5.483869 0.956675 0.187009 ESP Fit Center 1430 is at 5.089874 1.094540 0.187009 ESP Fit Center 1431 is at 4.675079 1.141276 0.187009 ESP Fit Center 1432 is at 5.483869 -2.402264 0.187009 ESP Fit Center 1433 is at 5.837308 -2.180184 0.187009 ESP Fit Center 1434 is at 6.132468 -1.885024 0.187009 ESP Fit Center 1435 is at 6.354549 -1.531584 0.187009 ESP Fit Center 1436 is at 6.492413 -1.137589 0.187009 ESP Fit Center 1437 is at 6.624342 -0.722794 -0.213788 ESP Fit Center 1438 is at 6.578769 -0.303760 -0.213788 ESP Fit Center 1439 is at 6.444182 0.095680 -0.213788 ESP Fit Center 1440 is at 6.226874 0.456849 -0.213788 ESP Fit Center 1441 is at 5.937005 0.762860 -0.213788 ESP Fit Center 1442 is at 5.588130 0.999403 -0.213788 ESP Fit Center 1443 is at 5.196562 1.155418 -0.213788 ESP Fit Center 1444 is at 4.780610 1.223610 -0.213788 ESP Fit Center 1445 is at 4.359723 1.200790 -0.213788 ESP Fit Center 1446 is at 5.588130 -2.444992 -0.213788 ESP Fit Center 1447 is at 5.937005 -2.208449 -0.213788 ESP Fit Center 1448 is at 6.226874 -1.902438 -0.213788 ESP Fit Center 1449 is at 6.444182 -1.541269 -0.213788 ESP Fit Center 1450 is at 6.578769 -1.141828 -0.213788 ESP Fit Center 1451 is at 6.624342 -0.722794 -0.623540 ESP Fit Center 1452 is at 6.578769 -0.303760 -0.623540 ESP Fit Center 1453 is at 6.444182 0.095680 -0.623540 ESP Fit Center 1454 is at 6.226874 0.456849 -0.623540 ESP Fit Center 1455 is at 5.937005 0.762860 -0.623540 ESP Fit Center 1456 is at 5.588130 0.999403 -0.623540 ESP Fit Center 1457 is at 5.196562 1.155418 -0.623540 ESP Fit Center 1458 is at 4.780610 1.223610 -0.623540 ESP Fit Center 1459 is at 4.359723 1.200790 -0.623540 ESP Fit Center 1460 is at 5.588130 -2.444992 -0.623540 ESP Fit Center 1461 is at 5.937005 -2.208449 -0.623540 ESP Fit Center 1462 is at 6.226874 -1.902438 -0.623540 ESP Fit Center 1463 is at 6.444182 -1.541269 -0.623540 ESP Fit Center 1464 is at 6.578769 -1.141828 -0.623540 ESP Fit Center 1465 is at 6.539150 -0.722794 -1.024337 ESP Fit Center 1466 is at 6.492413 -0.308000 -1.024337 ESP Fit Center 1467 is at 6.354549 0.085996 -1.024337 ESP Fit Center 1468 is at 6.132468 0.439435 -1.024337 ESP Fit Center 1469 is at 5.837308 0.734595 -1.024337 ESP Fit Center 1470 is at 5.483869 0.956675 -1.024337 ESP Fit Center 1471 is at 5.089874 1.094540 -1.024337 ESP Fit Center 1472 is at 4.675079 1.141276 -1.024337 ESP Fit Center 1473 is at 4.260284 1.094540 -1.024337 ESP Fit Center 1474 is at 5.483869 -2.402264 -1.024337 ESP Fit Center 1475 is at 5.837308 -2.180184 -1.024337 ESP Fit Center 1476 is at 6.132468 -1.885024 -1.024337 ESP Fit Center 1477 is at 6.354549 -1.531584 -1.024337 ESP Fit Center 1478 is at 6.492413 -1.137589 -1.024337 ESP Fit Center 1479 is at 6.372489 -0.722794 -1.398664 ESP Fit Center 1480 is at 6.319161 -0.300666 -1.398664 ESP Fit Center 1481 is at 6.162530 0.094939 -1.398664 ESP Fit Center 1482 is at 5.912437 0.439163 -1.398664 ESP Fit Center 1483 is at 5.584597 0.710376 -1.398664 ESP Fit Center 1484 is at 5.199607 0.891538 -1.398664 ESP Fit Center 1485 is at 4.781660 0.971266 -1.398664 ESP Fit Center 1486 is at 4.357016 0.944550 -1.398664 ESP Fit Center 1487 is at 5.199607 -2.337127 -1.398664 ESP Fit Center 1488 is at 5.584597 -2.155965 -1.398664 ESP Fit Center 1489 is at 5.912437 -1.884751 -1.398664 ESP Fit Center 1490 is at 6.162530 -1.540528 -1.398664 ESP Fit Center 1491 is at 6.319161 -1.144923 -1.398664 ESP Fit Center 1492 is at 6.131643 -0.722794 -1.730160 ESP Fit Center 1493 is at 6.072642 -0.312433 -1.730160 ESP Fit Center 1494 is at 5.900418 0.064683 -1.730160 ESP Fit Center 1495 is at 5.628925 0.378003 -1.730160 ESP Fit Center 1496 is at 5.280157 0.602143 -1.730160 ESP Fit Center 1497 is at 4.882370 0.718944 -1.730160 ESP Fit Center 1498 is at 4.467788 0.718944 -1.730160 ESP Fit Center 1499 is at 5.280157 -2.047731 -1.730160 ESP Fit Center 1500 is at 5.628925 -1.823592 -1.730160 ESP Fit Center 1501 is at 5.900418 -1.510272 -1.730160 ESP Fit Center 1502 is at 6.072642 -1.133156 -1.730160 ESP Fit Center 1503 is at 5.827138 -0.722794 -2.004337 ESP Fit Center 1504 is at 5.749342 -0.306623 -2.004337 ESP Fit Center 1505 is at 5.526461 0.053343 -2.004337 ESP Fit Center 1506 is at 5.188596 0.308487 -2.004337 ESP Fit Center 1507 is at 4.781377 0.424350 -2.004337 ESP Fit Center 1508 is at 4.359803 0.385286 -2.004337 ESP Fit Center 1509 is at 5.188596 -1.754075 -2.004337 ESP Fit Center 1510 is at 5.526461 -1.498932 -2.004337 ESP Fit Center 1511 is at 5.749342 -1.138966 -2.004337 ESP Fit Center 1512 is at 5.472283 -0.722794 -2.209213 ESP Fit Center 1513 is at 5.365478 -0.324192 -2.209213 ESP Fit Center 1514 is at 5.073681 -0.032396 -2.209213 ESP Fit Center 1515 is at 4.675079 0.074409 -2.209213 ESP Fit Center 1516 is at 4.276477 -0.032396 -2.209213 ESP Fit Center 1517 is at 4.675079 -1.519998 -2.209213 ESP Fit Center 1518 is at 5.073681 -1.413193 -2.209213 ESP Fit Center 1519 is at 5.365478 -1.121396 -2.209213 ESP Fit Center 1520 is at 5.082586 -0.722794 -2.335833 ESP Fit Center 1521 is at 4.878832 -0.369883 -2.335833 ESP Fit Center 1522 is at 4.471325 -0.369883 -2.335833 ESP Fit Center 1523 is at 4.878832 -1.075706 -2.335833 ESP Fit Center 1524 is at 4.675079 -0.722794 -2.378664 ESP Fit Center 1525 is at 1.085002 -2.435994 0.344351 ESP Fit Center 1526 is at 1.257225 -2.813110 0.344351 ESP Fit Center 1527 is at 1.528718 -3.126430 0.344351 ESP Fit Center 1528 is at 1.877486 -3.350569 0.344351 ESP Fit Center 1529 is at 2.275274 -3.467371 0.344351 ESP Fit Center 1530 is at 0.798539 -2.238374 0.012855 ESP Fit Center 1531 is at 0.904353 -2.650491 0.012855 ESP Fit Center 1532 is at 1.109331 -3.023345 0.012855 ESP Fit Center 1533 is at 1.400595 -3.333509 0.012855 ESP Fit Center 1534 is at 1.759843 -3.561495 0.012855 ESP Fit Center 1535 is at 2.164502 -3.692976 0.012855 ESP Fit Center 1536 is at 2.589146 -3.719693 0.012855 ESP Fit Center 1537 is at 3.007093 -3.639965 0.012855 ESP Fit Center 1538 is at 0.618494 -2.025632 -0.361472 ESP Fit Center 1539 is at 0.665230 -2.440427 -0.361472 ESP Fit Center 1540 is at 0.803095 -2.834422 -0.361472 ESP Fit Center 1541 is at 1.025175 -3.187862 -0.361472 ESP Fit Center 1542 is at 1.320335 -3.483022 -0.361472 ESP Fit Center 1543 is at 1.673775 -3.705102 -0.361472 ESP Fit Center 1544 is at 2.067770 -3.842967 -0.361472 ESP Fit Center 1545 is at 2.482565 -3.889703 -0.361472 ESP Fit Center 1546 is at 2.897359 -3.842967 -0.361472 ESP Fit Center 1547 is at 3.291355 -3.705102 -0.361472 ESP Fit Center 1548 is at 0.544728 -1.814880 -0.762270 ESP Fit Center 1549 is at 0.544728 -2.236385 -0.762270 ESP Fit Center 1550 is at 0.635339 -2.648035 -0.762270 ESP Fit Center 1551 is at 0.812325 -3.030582 -0.762270 ESP Fit Center 1552 is at 1.067408 -3.366139 -0.762270 ESP Fit Center 1553 is at 1.388663 -3.639016 -0.762270 ESP Fit Center 1554 is at 1.761068 -3.836452 -0.762270 ESP Fit Center 1555 is at 2.167209 -3.949217 -0.762270 ESP Fit Center 1556 is at 2.588096 -3.972037 -0.762270 ESP Fit Center 1557 is at 3.004048 -3.903845 -0.762270 ESP Fit Center 1558 is at 3.395616 -3.747830 -0.762270 ESP Fit Center 1559 is at 3.744491 -3.511287 -0.762270 ESP Fit Center 1560 is at 0.544728 -1.814880 -1.172021 ESP Fit Center 1561 is at 0.544728 -2.236385 -1.172021 ESP Fit Center 1562 is at 0.635339 -2.648035 -1.172021 ESP Fit Center 1563 is at 0.812325 -3.030582 -1.172021 ESP Fit Center 1564 is at 1.067408 -3.366139 -1.172021 ESP Fit Center 1565 is at 1.388663 -3.639016 -1.172021 ESP Fit Center 1566 is at 1.761068 -3.836452 -1.172021 ESP Fit Center 1567 is at 2.167209 -3.949217 -1.172021 ESP Fit Center 1568 is at 2.588096 -3.972037 -1.172021 ESP Fit Center 1569 is at 3.004048 -3.903845 -1.172021 ESP Fit Center 1570 is at 3.395616 -3.747830 -1.172021 ESP Fit Center 1571 is at 3.744491 -3.511287 -1.172021 ESP Fit Center 1572 is at 0.618494 -2.025632 -1.572819 ESP Fit Center 1573 is at 0.665230 -2.440427 -1.572819 ESP Fit Center 1574 is at 0.803095 -2.834422 -1.572819 ESP Fit Center 1575 is at 1.025175 -3.187862 -1.572819 ESP Fit Center 1576 is at 1.320335 -3.483022 -1.572819 ESP Fit Center 1577 is at 1.673775 -3.705102 -1.572819 ESP Fit Center 1578 is at 2.067770 -3.842967 -1.572819 ESP Fit Center 1579 is at 2.482565 -3.889703 -1.572819 ESP Fit Center 1580 is at 2.897359 -3.842967 -1.572819 ESP Fit Center 1581 is at 3.291355 -3.705102 -1.572819 ESP Fit Center 1582 is at 3.644794 -3.483022 -1.572819 ESP Fit Center 1583 is at 3.939954 -3.187862 -1.572819 ESP Fit Center 1584 is at 0.798539 -1.812891 -1.947145 ESP Fit Center 1585 is at 0.798539 -2.238374 -1.947145 ESP Fit Center 1586 is at 0.904353 -2.650491 -1.947145 ESP Fit Center 1587 is at 1.109331 -3.023345 -1.947145 ESP Fit Center 1588 is at 1.400595 -3.333509 -1.947145 ESP Fit Center 1589 is at 1.759843 -3.561495 -1.947145 ESP Fit Center 1590 is at 2.164502 -3.692976 -1.947145 ESP Fit Center 1591 is at 2.589146 -3.719693 -1.947145 ESP Fit Center 1592 is at 3.007093 -3.639965 -1.947145 ESP Fit Center 1593 is at 3.392082 -3.458803 -1.947145 ESP Fit Center 1594 is at 3.719923 -3.187589 -1.947145 ESP Fit Center 1595 is at 3.970016 -2.843366 -1.947145 ESP Fit Center 1596 is at 1.085002 -1.615271 -2.278641 ESP Fit Center 1597 is at 1.026001 -2.025632 -2.278641 ESP Fit Center 1598 is at 1.085002 -2.435994 -2.278641 ESP Fit Center 1599 is at 1.257225 -2.813110 -2.278641 ESP Fit Center 1600 is at 1.528718 -3.126430 -2.278641 ESP Fit Center 1601 is at 1.877486 -3.350569 -2.278641 ESP Fit Center 1602 is at 2.275274 -3.467371 -2.278641 ESP Fit Center 1603 is at 2.689855 -3.467371 -2.278641 ESP Fit Center 1604 is at 3.087643 -3.350569 -2.278641 ESP Fit Center 1605 is at 3.436411 -3.126430 -2.278641 ESP Fit Center 1606 is at 3.707904 -2.813110 -2.278641 ESP Fit Center 1607 is at 3.880127 -2.435994 -2.278641 ESP Fit Center 1608 is at 3.634624 -2.025632 -2.552819 ESP Fit Center 1609 is at 2.588863 -0.878488 -2.552819 ESP Fit Center 1610 is at 2.167289 -0.917552 -2.552819 ESP Fit Center 1611 is at 1.788294 -1.106269 -2.552819 ESP Fit Center 1612 is at 1.503064 -1.419151 -2.552819 ESP Fit Center 1613 is at 1.350121 -1.813942 -2.552819 ESP Fit Center 1614 is at 1.350121 -2.237323 -2.552819 ESP Fit Center 1615 is at 1.503064 -2.632113 -2.552819 ESP Fit Center 1616 is at 1.788294 -2.944995 -2.552819 ESP Fit Center 1617 is at 2.167289 -3.133712 -2.552819 ESP Fit Center 1618 is at 2.588863 -3.172777 -2.552819 ESP Fit Center 1619 is at 2.996082 -3.056913 -2.552819 ESP Fit Center 1620 is at 3.333947 -2.801770 -2.552819 ESP Fit Center 1621 is at 3.556828 -2.441804 -2.552819 ESP Fit Center 1622 is at 3.279768 -2.025632 -2.757694 ESP Fit Center 1623 is at 3.172963 -1.627030 -2.757694 ESP Fit Center 1624 is at 2.881166 -1.335234 -2.757694 ESP Fit Center 1625 is at 2.482565 -1.228429 -2.757694 ESP Fit Center 1626 is at 2.083963 -1.335234 -2.757694 ESP Fit Center 1627 is at 1.792166 -1.627030 -2.757694 ESP Fit Center 1628 is at 1.685361 -2.025632 -2.757694 ESP Fit Center 1629 is at 1.792166 -2.424234 -2.757694 ESP Fit Center 1630 is at 2.083963 -2.716031 -2.757694 ESP Fit Center 1631 is at 2.482565 -2.822836 -2.757694 ESP Fit Center 1632 is at 2.881166 -2.716031 -2.757694 ESP Fit Center 1633 is at 3.172963 -2.424234 -2.757694 ESP Fit Center 1634 is at 2.890071 -2.025632 -2.884315 ESP Fit Center 1635 is at 2.686318 -1.672721 -2.884315 ESP Fit Center 1636 is at 2.278811 -1.672721 -2.884315 ESP Fit Center 1637 is at 2.075058 -2.025632 -2.884315 ESP Fit Center 1638 is at 2.278811 -2.378544 -2.884315 ESP Fit Center 1639 is at 2.686318 -2.378544 -2.884315 ESP Fit Center 1640 is at 2.482565 -2.025632 -2.927145 ESP Fit Center 1641 is at 3.254120 -1.693163 3.363127 ESP Fit Center 1642 is at 3.050366 -1.340251 3.320296 ESP Fit Center 1643 is at 2.846613 -1.693163 3.320296 ESP Fit Center 1644 is at 3.050366 -2.046074 3.320296 ESP Fit Center 1645 is at 3.457873 -2.046074 3.320296 ESP Fit Center 1646 is at 2.855518 -1.002764 3.193676 ESP Fit Center 1647 is at 2.563721 -1.294561 3.193676 ESP Fit Center 1648 is at 2.456916 -1.693163 3.193676 ESP Fit Center 1649 is at 2.563721 -2.091765 3.193676 ESP Fit Center 1650 is at 2.855518 -2.383561 3.193676 ESP Fit Center 1651 is at 3.254120 -2.490366 3.193676 ESP Fit Center 1652 is at 3.652722 -2.383561 3.193676 ESP Fit Center 1653 is at 2.938844 -0.585083 2.988800 ESP Fit Center 1654 is at 2.559849 -0.773800 2.988800 ESP Fit Center 1655 is at 2.274619 -1.086682 2.988800 ESP Fit Center 1656 is at 2.121677 -1.481472 2.988800 ESP Fit Center 1657 is at 2.121677 -1.904853 2.988800 ESP Fit Center 1658 is at 2.274619 -2.299644 2.988800 ESP Fit Center 1659 is at 2.559849 -2.612526 2.988800 ESP Fit Center 1660 is at 2.938844 -2.801243 2.988800 ESP Fit Center 1661 is at 3.360418 -2.840307 2.988800 ESP Fit Center 1662 is at 3.767637 -2.724444 2.988800 ESP Fit Center 1663 is at 2.649041 -0.368226 2.714623 ESP Fit Center 1664 is at 2.300273 -0.592365 2.714623 ESP Fit Center 1665 is at 2.028780 -0.905685 2.714623 ESP Fit Center 1666 is at 1.856557 -1.282801 2.714623 ESP Fit Center 1667 is at 1.797556 -1.693163 2.714623 ESP Fit Center 1668 is at 1.856557 -2.103524 2.714623 ESP Fit Center 1669 is at 2.028780 -2.480640 2.714623 ESP Fit Center 1670 is at 2.300273 -2.793960 2.714623 ESP Fit Center 1671 is at 2.649041 -3.018100 2.714623 ESP Fit Center 1672 is at 3.046829 -3.134901 2.714623 ESP Fit Center 1673 is at 3.461411 -3.134901 2.714623 ESP Fit Center 1674 is at 3.859198 -3.018100 2.714623 ESP Fit Center 1675 is at 4.207966 -2.793960 2.714623 ESP Fit Center 1676 is at 2.936057 -0.025819 2.383127 ESP Fit Center 1677 is at 2.531398 -0.157300 2.383127 ESP Fit Center 1678 is at 2.172150 -0.385286 2.383127 ESP Fit Center 1679 is at 1.880886 -0.695450 2.383127 ESP Fit Center 1680 is at 1.675908 -1.068304 2.383127 ESP Fit Center 1681 is at 1.570095 -1.480421 2.383127 ESP Fit Center 1682 is at 1.570095 -1.905904 2.383127 ESP Fit Center 1683 is at 1.675908 -2.318021 2.383127 ESP Fit Center 1684 is at 1.880886 -2.690875 2.383127 ESP Fit Center 1685 is at 2.172150 -3.001039 2.383127 ESP Fit Center 1686 is at 2.531398 -3.229025 2.383127 ESP Fit Center 1687 is at 2.936057 -3.360507 2.383127 ESP Fit Center 1688 is at 3.360701 -3.387223 2.383127 ESP Fit Center 1689 is at 3.778648 -3.307495 2.383127 ESP Fit Center 1690 is at 4.163638 -3.126333 2.383127 ESP Fit Center 1691 is at 4.491478 -2.855120 2.383127 ESP Fit Center 1692 is at 1.436785 -2.107957 2.008800 ESP Fit Center 1693 is at 1.574650 -2.501953 2.008800 ESP Fit Center 1694 is at 1.796731 -2.855392 2.008800 ESP Fit Center 1695 is at 2.091891 -3.150552 2.008800 ESP Fit Center 1696 is at 2.445330 -3.372632 2.008800 ESP Fit Center 1697 is at 2.839325 -3.510497 2.008800 ESP Fit Center 1698 is at 3.254120 -3.557233 2.008800 ESP Fit Center 1699 is at 3.668915 -3.510497 2.008800 ESP Fit Center 1700 is at 4.062910 -3.372632 2.008800 ESP Fit Center 1701 is at 4.416349 -3.150552 2.008800 ESP Fit Center 1702 is at 4.711509 -2.855392 2.008800 ESP Fit Center 1703 is at 1.406895 -2.315565 1.608002 ESP Fit Center 1704 is at 1.583880 -2.698113 1.608002 ESP Fit Center 1705 is at 1.838964 -3.033670 1.608002 ESP Fit Center 1706 is at 2.160219 -3.306546 1.608002 ESP Fit Center 1707 is at 2.532623 -3.503982 1.608002 ESP Fit Center 1708 is at 2.938764 -3.616747 1.608002 ESP Fit Center 1709 is at 3.359651 -3.639567 1.608002 ESP Fit Center 1710 is at 3.775603 -3.571375 1.608002 ESP Fit Center 1711 is at 4.167171 -3.415360 1.608002 ESP Fit Center 1712 is at 4.516046 -3.178817 1.608002 ESP Fit Center 1713 is at 4.805915 -2.872806 1.608002 ESP Fit Center 1714 is at 1.406895 -2.315565 1.198251 ESP Fit Center 1715 is at 1.583880 -2.698113 1.198251 ESP Fit Center 1716 is at 1.838964 -3.033670 1.198251 ESP Fit Center 1717 is at 2.160219 -3.306546 1.198251 ESP Fit Center 1718 is at 2.532623 -3.503982 1.198251 ESP Fit Center 1719 is at 2.938764 -3.616747 1.198251 ESP Fit Center 1720 is at 3.359651 -3.639567 1.198251 ESP Fit Center 1721 is at 3.775603 -3.571375 1.198251 ESP Fit Center 1722 is at 4.167171 -3.415360 1.198251 ESP Fit Center 1723 is at 4.516046 -3.178817 1.198251 ESP Fit Center 1724 is at 4.805915 -2.872806 1.198251 ESP Fit Center 1725 is at 5.023223 -2.511637 1.198251 ESP Fit Center 1726 is at 2.091891 -3.150552 0.797453 ESP Fit Center 1727 is at 2.445330 -3.372632 0.797453 ESP Fit Center 1728 is at 2.839325 -3.510497 0.797453 ESP Fit Center 1729 is at 3.254120 -3.557233 0.797453 ESP Fit Center 1730 is at 3.668915 -3.510497 0.797453 ESP Fit Center 1731 is at 4.062910 -3.372632 0.797453 ESP Fit Center 1732 is at 3.997633 -1.311494 3.528665 ESP Fit Center 1733 is at 4.432449 -1.311494 3.471420 ESP Fit Center 1734 is at 4.215041 -0.934932 3.471420 ESP Fit Center 1735 is at 3.780225 -0.934932 3.471420 ESP Fit Center 1736 is at 3.562817 -1.311494 3.471420 ESP Fit Center 1737 is at 3.780225 -1.688055 3.471420 ESP Fit Center 1738 is at 4.215041 -1.688055 3.471420 ESP Fit Center 1739 is at 4.837633 -1.311494 3.303588 ESP Fit Center 1740 is at 4.725095 -0.891494 3.303588 ESP Fit Center 1741 is at 4.417633 -0.584032 3.303588 ESP Fit Center 1742 is at 3.997633 -0.471494 3.303588 ESP Fit Center 1743 is at 3.577633 -0.584032 3.303588 ESP Fit Center 1744 is at 3.270172 -0.891494 3.303588 ESP Fit Center 1745 is at 3.997633 -2.151494 3.303588 ESP Fit Center 1746 is at 4.417633 -2.038955 3.303588 ESP Fit Center 1747 is at 4.725095 -1.731494 3.303588 ESP Fit Center 1748 is at 5.185573 -1.311494 3.036604 ESP Fit Center 1749 is at 5.105354 -0.882360 3.036604 ESP Fit Center 1750 is at 4.875531 -0.511184 3.036604 ESP Fit Center 1751 is at 4.527144 -0.248094 3.036604 ESP Fit Center 1752 is at 4.107243 -0.128622 3.036604 ESP Fit Center 1753 is at 3.672538 -0.168903 3.036604 ESP Fit Center 1754 is at 3.281740 -0.363498 3.036604 ESP Fit Center 1755 is at 4.107243 -2.494365 3.036604 ESP Fit Center 1756 is at 4.527144 -2.374893 3.036604 ESP Fit Center 1757 is at 4.875531 -2.111803 3.036604 ESP Fit Center 1758 is at 5.105354 -1.740627 3.036604 ESP Fit Center 1759 is at 5.452556 -1.311494 2.688665 ESP Fit Center 1760 is at 5.387918 -0.882648 2.688665 ESP Fit Center 1761 is at 5.199747 -0.491906 2.688665 ESP Fit Center 1762 is at 4.904763 -0.173989 2.688665 ESP Fit Center 1763 is at 4.529176 0.042856 2.688665 ESP Fit Center 1764 is at 4.106360 0.139361 2.688665 ESP Fit Center 1765 is at 3.673883 0.106951 2.688665 ESP Fit Center 1766 is at 3.270172 -0.051494 2.688665 ESP Fit Center 1767 is at 4.529176 -2.665843 2.688665 ESP Fit Center 1768 is at 4.904763 -2.448998 2.688665 ESP Fit Center 1769 is at 5.199747 -2.131081 2.688665 ESP Fit Center 1770 is at 5.387918 -1.740340 2.688665 ESP Fit Center 1771 is at 5.620389 -1.311494 2.283481 ESP Fit Center 1772 is at 5.565095 -0.891494 2.283481 ESP Fit Center 1773 is at 5.402981 -0.500116 2.283481 ESP Fit Center 1774 is at 5.145095 -0.164032 2.283481 ESP Fit Center 1775 is at 4.809011 0.093854 2.283481 ESP Fit Center 1776 is at 4.417633 0.255968 2.283481 ESP Fit Center 1777 is at 3.997633 0.311262 2.283481 ESP Fit Center 1778 is at 3.577633 0.255968 2.283481 ESP Fit Center 1779 is at 3.186256 0.093854 2.283481 ESP Fit Center 1780 is at 4.809011 -2.716841 2.283481 ESP Fit Center 1781 is at 5.145095 -2.458955 2.283481 ESP Fit Center 1782 is at 5.402981 -2.122871 2.283481 ESP Fit Center 1783 is at 5.565095 -1.731494 2.283481 ESP Fit Center 1784 is at 5.677633 -1.311494 1.848665 ESP Fit Center 1785 is at 5.624853 -0.893695 1.848665 ESP Fit Center 1786 is at 5.469829 -0.502147 1.848665 ESP Fit Center 1787 is at 5.222301 -0.161454 1.848665 ESP Fit Center 1788 is at 4.897822 0.106977 1.848665 ESP Fit Center 1789 is at 4.516782 0.286281 1.848665 ESP Fit Center 1790 is at 4.103122 0.365191 1.848665 ESP Fit Center 1791 is at 4.897822 -2.729965 1.848665 ESP Fit Center 1792 is at 5.222301 -2.461533 1.848665 ESP Fit Center 1793 is at 5.469829 -2.120840 1.848665 ESP Fit Center 1794 is at 5.624853 -1.729293 1.848665 ESP Fit Center 1795 is at 5.620389 -1.311494 1.413849 ESP Fit Center 1796 is at 5.565095 -0.891494 1.413849 ESP Fit Center 1797 is at 5.402981 -0.500116 1.413849 ESP Fit Center 1798 is at 5.145095 -0.164032 1.413849 ESP Fit Center 1799 is at 5.145095 -2.458955 1.413849 ESP Fit Center 1800 is at 5.402981 -2.122871 1.413849 ESP Fit Center 1801 is at 5.565095 -1.731494 1.413849 ESP Fit Center 1802 is at -5.564597 -2.653534 -1.013768 ESP Fit Center 1803 is at -5.459869 -3.061424 -1.013768 ESP Fit Center 1804 is at -5.256993 -3.430454 -1.013768 ESP Fit Center 1805 is at -4.968717 -3.737437 -1.013768 ESP Fit Center 1806 is at -4.613154 -3.963084 -1.013768 ESP Fit Center 1807 is at -4.212645 -4.093217 -1.013768 ESP Fit Center 1808 is at -3.792356 -4.119660 -1.013768 ESP Fit Center 1809 is at -3.378696 -4.040750 -1.013768 ESP Fit Center 1810 is at -2.997655 -3.861446 -1.013768 ESP Fit Center 1811 is at -2.673177 -3.593014 -1.013768 ESP Fit Center 1812 is at -2.425649 -3.252321 -1.013768 ESP Fit Center 1813 is at -2.275089 -2.442975 -1.448584 ESP Fit Center 1814 is at -5.465306 -2.022975 -1.448584 ESP Fit Center 1815 is at -5.520600 -2.442975 -1.448584 ESP Fit Center 1816 is at -5.465306 -2.862975 -1.448584 ESP Fit Center 1817 is at -5.303192 -3.254352 -1.448584 ESP Fit Center 1818 is at -5.045306 -3.590436 -1.448584 ESP Fit Center 1819 is at -4.709222 -3.848322 -1.448584 ESP Fit Center 1820 is at -4.317844 -4.010436 -1.448584 ESP Fit Center 1821 is at -3.897844 -4.065730 -1.448584 ESP Fit Center 1822 is at -3.477844 -4.010436 -1.448584 ESP Fit Center 1823 is at -3.086467 -3.848322 -1.448584 ESP Fit Center 1824 is at -2.750383 -3.590436 -1.448584 ESP Fit Center 1825 is at -2.492497 -3.254352 -1.448584 ESP Fit Center 1826 is at -2.330383 -2.862975 -1.448584 ESP Fit Center 1827 is at -2.442922 -2.442975 -1.853768 ESP Fit Center 1828 is at -2.507560 -2.014129 -1.853768 ESP Fit Center 1829 is at -5.208684 -1.811707 -1.853768 ESP Fit Center 1830 is at -5.336517 -2.226130 -1.853768 ESP Fit Center 1831 is at -5.336517 -2.659820 -1.853768 ESP Fit Center 1832 is at -5.208684 -3.074242 -1.853768 ESP Fit Center 1833 is at -4.964378 -3.432573 -1.853768 ESP Fit Center 1834 is at -4.625306 -3.702975 -1.853768 ESP Fit Center 1835 is at -4.221595 -3.861419 -1.853768 ESP Fit Center 1836 is at -3.789118 -3.893829 -1.853768 ESP Fit Center 1837 is at -3.366301 -3.797324 -1.853768 ESP Fit Center 1838 is at -2.990715 -3.580479 -1.853768 ESP Fit Center 1839 is at -2.695731 -3.262562 -1.853768 ESP Fit Center 1840 is at -2.507560 -2.871821 -1.853768 ESP Fit Center 1841 is at -2.709905 -2.442975 -2.201708 ESP Fit Center 1842 is at -2.790124 -2.013841 -2.201708 ESP Fit Center 1843 is at -3.019947 -1.642665 -2.201708 ESP Fit Center 1844 is at -4.907851 -1.817605 -2.201708 ESP Fit Center 1845 is at -5.065557 -2.224691 -2.201708 ESP Fit Center 1846 is at -5.065557 -2.661258 -2.201708 ESP Fit Center 1847 is at -4.907851 -3.068344 -2.201708 ESP Fit Center 1848 is at -4.613738 -3.390971 -2.201708 ESP Fit Center 1849 is at -4.222939 -3.585565 -2.201708 ESP Fit Center 1850 is at -3.788235 -3.625846 -2.201708 ESP Fit Center 1851 is at -3.368334 -3.506374 -2.201708 ESP Fit Center 1852 is at -3.019947 -3.243284 -2.201708 ESP Fit Center 1853 is at -2.790124 -2.872108 -2.201708 ESP Fit Center 1854 is at -3.057844 -2.442975 -2.468691 ESP Fit Center 1855 is at -3.170383 -2.022975 -2.468691 ESP Fit Center 1856 is at -3.477844 -1.715513 -2.468691 ESP Fit Center 1857 is at -3.897844 -1.602975 -2.468691 ESP Fit Center 1858 is at -4.317844 -1.715513 -2.468691 ESP Fit Center 1859 is at -4.625306 -2.022975 -2.468691 ESP Fit Center 1860 is at -4.737844 -2.442975 -2.468691 ESP Fit Center 1861 is at 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Fit Center 1916 is at -6.205184 0.536253 0.949742 ESP Fit Center 1917 is at -6.356073 0.151794 0.949742 ESP Fit Center 1918 is at -6.447977 -0.250860 0.949742 ESP Fit Center 1919 is at -6.478841 -0.662715 0.949742 ESP Fit Center 1920 is at -6.447977 -1.074569 0.949742 ESP Fit Center 1921 is at -6.356073 -1.477223 0.949742 ESP Fit Center 1922 is at -6.205184 -1.861683 0.949742 ESP Fit Center 1923 is at -5.998680 -2.219359 0.949742 ESP Fit Center 1924 is at -2.600584 1.960903 0.548219 ESP Fit Center 1925 is at -2.994468 2.095277 0.548219 ESP Fit Center 1926 is at -3.403718 2.170870 0.548219 ESP Fit Center 1927 is at -3.819614 2.186069 0.548219 ESP Fit Center 1928 is at -4.233291 2.140552 0.548219 ESP Fit Center 1929 is at -4.635932 2.035288 0.548219 ESP Fit Center 1930 is at -5.018955 1.872520 0.548219 ESP Fit Center 1931 is at -5.374198 1.655719 0.548219 ESP Fit Center 1932 is at -5.694089 1.389504 0.548219 ESP Fit Center 1933 is at -5.971809 1.079550 0.548219 ESP Fit Center 1934 is at 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3.588580 ESP Fit Center 2007 is at -3.503556 -0.763680 3.588580 ESP Fit Center 2008 is at -3.025120 -0.359090 3.404329 ESP Fit Center 2009 is at -3.104749 0.066889 3.404329 ESP Fit Center 2010 is at -3.332883 0.435338 3.404329 ESP Fit Center 2011 is at -3.678710 0.696494 3.404329 ESP Fit Center 2012 is at -4.095524 0.815088 3.404329 ESP Fit Center 2013 is at -4.527034 0.775103 3.404329 ESP Fit Center 2014 is at -4.914960 0.581939 3.404329 ESP Fit Center 2015 is at -5.206911 0.261683 3.404329 ESP Fit Center 2016 is at -5.363458 -0.142411 3.404329 ESP Fit Center 2017 is at -5.363458 -0.575769 3.404329 ESP Fit Center 2018 is at -5.206911 -0.979863 3.404329 ESP Fit Center 2019 is at -4.914960 -1.300118 3.404329 ESP Fit Center 2020 is at -4.527034 -1.493282 3.404329 ESP Fit Center 2021 is at -4.095524 -1.533267 3.404329 ESP Fit Center 2022 is at -3.678710 -1.414673 3.404329 ESP Fit Center 2023 is at -3.332883 -1.153517 3.404329 ESP Fit Center 2024 is at -3.104749 -0.785069 3.404329 ESP Fit Center 2025 is at -2.695250 -0.359090 3.155222 ESP Fit Center 2026 is at -2.756378 0.066067 3.155222 ESP Fit Center 2027 is at -2.934811 0.456780 3.155222 ESP Fit Center 2028 is at -3.216092 0.781396 3.155222 ESP Fit Center 2029 is at -3.577434 1.013616 3.155222 ESP Fit Center 2030 is at -3.989564 1.134628 3.155222 ESP Fit Center 2031 is at -4.419092 1.134628 3.155222 ESP Fit Center 2032 is at -4.831222 1.013616 3.155222 ESP Fit Center 2033 is at -5.192564 0.781396 3.155222 ESP Fit Center 2034 is at -5.473845 0.456780 3.155222 ESP Fit Center 2035 is at -5.652278 0.066067 3.155222 ESP Fit Center 2036 is at -5.713406 -0.359090 3.155222 ESP Fit Center 2037 is at -5.652278 -0.784246 3.155222 ESP Fit Center 2038 is at -5.473845 -1.174959 3.155222 ESP Fit Center 2039 is at -5.192564 -1.499575 3.155222 ESP Fit Center 2040 is at -4.831222 -1.731796 3.155222 ESP Fit Center 2041 is at -4.419092 -1.852808 3.155222 ESP Fit Center 2042 is at -3.989564 -1.852808 3.155222 ESP Fit Center 2043 is at 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Center 2080 is at -4.413925 1.635092 2.498296 ESP Fit Center 2081 is at -4.823958 1.547936 2.498296 ESP Fit Center 2082 is at -5.206911 1.377435 2.498296 ESP Fit Center 2083 is at -5.546046 1.131039 2.498296 ESP Fit Center 2084 is at -5.826541 0.819517 2.498296 ESP Fit Center 2085 is at -6.036138 0.456485 2.498296 ESP Fit Center 2086 is at -6.165676 0.057808 2.498296 ESP Fit Center 2087 is at -6.209494 -0.359090 2.498296 ESP Fit Center 2088 is at -6.165676 -0.775987 2.498296 ESP Fit Center 2089 is at -6.036138 -1.174664 2.498296 ESP Fit Center 2090 is at -5.826541 -1.537697 2.498296 ESP Fit Center 2091 is at -5.546046 -1.849218 2.498296 ESP Fit Center 2092 is at -5.206911 -2.095614 2.498296 ESP Fit Center 2093 is at -4.823958 -2.266116 2.498296 ESP Fit Center 2094 is at -4.413925 -2.353271 2.498296 ESP Fit Center 2095 is at -3.994731 -2.353271 2.498296 ESP Fit Center 2096 is at -2.680874 1.164364 2.112848 ESP Fit Center 2097 is at -3.007358 1.432303 2.112848 ESP Fit Center 2098 is at 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Center 2460 is at -0.509704 -2.006271 -1.175318 ESP Fit Center 2461 is at -0.120070 -1.839734 -1.175318 ESP Fit Center 2462 is at -1.132768 -2.011120 -1.579411 ESP Fit Center 2463 is at -0.708379 -1.950102 -1.579411 ESP Fit Center 2464 is at -0.303208 -1.809871 -1.579411 ESP Fit Center 2465 is at -1.761049 -1.770523 -1.958563 ESP Fit Center 2466 is at -1.345350 -1.834206 -1.958563 ESP Fit Center 2467 is at -0.925341 -1.812905 -1.958563 ESP Fit Center 2468 is at -0.518217 -1.707494 -1.958563 ESP Fit Center 2469 is at -2.159331 -1.350606 -2.301253 ESP Fit Center 2470 is at -1.767367 -1.519683 -2.301253 ESP Fit Center 2471 is at -1.346977 -1.593809 -2.301253 ESP Fit Center 2472 is at -0.920824 -1.568988 -2.301253 ESP Fit Center 2473 is at -0.511882 -1.446559 -2.301253 ESP Fit Center 2474 is at -2.129716 -1.018744 -2.597070 ESP Fit Center 2475 is at -1.756693 -1.212029 -2.597070 ESP Fit Center 2476 is at -1.345354 -1.297506 -2.597070 ESP Fit Center 2477 is at -0.926208 -1.268836 -2.597070 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Fit Center 2496 is at -2.230920 2.550233 -1.958982 ESP Fit Center 2497 is at -2.626562 2.411792 -1.958982 ESP Fit Center 2498 is at -2.981479 2.188783 -1.958982 ESP Fit Center 2499 is at -3.277872 1.892389 -1.958982 ESP Fit Center 2500 is at -1.605880 2.442550 -2.364799 ESP Fit Center 2501 is at -2.022904 2.442550 -2.364799 ESP Fit Center 2502 is at -2.427809 2.342750 -2.364799 ESP Fit Center 2503 is at -2.797065 2.148950 -2.364799 ESP Fit Center 2504 is at -3.109211 1.872412 -2.364799 ESP Fit Center 2505 is at -1.190806 2.090766 -2.728842 ESP Fit Center 2506 is at -1.600761 2.211140 -2.728842 ESP Fit Center 2507 is at -2.028023 2.211140 -2.728842 ESP Fit Center 2508 is at -2.437978 2.090766 -2.728842 ESP Fit Center 2509 is at -2.797414 1.859771 -2.728842 ESP Fit Center 2510 is at -3.077212 1.536868 -2.728842 ESP Fit Center 2511 is at -3.254703 1.148216 -2.728842 ESP Fit Center 2512 is at -2.437978 -0.640161 -2.728842 ESP Fit Center 2513 is at -0.689486 1.134735 -3.032858 ESP Fit Center 2514 is at -0.897360 1.494784 -3.032858 ESP Fit Center 2515 is at -1.215842 1.762022 -3.032858 ESP Fit Center 2516 is at -1.606518 1.904217 -3.032858 ESP Fit Center 2517 is at -2.022266 1.904217 -3.032858 ESP Fit Center 2518 is at -2.412942 1.762022 -3.032858 ESP Fit Center 2519 is at -2.731424 1.494784 -3.032858 ESP Fit Center 2520 is at -2.939298 1.134735 -3.032858 ESP Fit Center 2521 is at -3.011492 0.725303 -3.032858 ESP Fit Center 2522 is at -2.939298 0.315870 -3.032858 ESP Fit Center 2523 is at -2.731424 -0.044178 -3.032858 ESP Fit Center 2524 is at -2.412942 -0.311417 -3.032858 ESP Fit Center 2525 is at -2.022266 -0.453611 -3.032858 ESP Fit Center 2526 is at -1.606518 -0.453611 -3.032858 ESP Fit Center 2527 is at -0.981335 0.725303 -3.261602 ESP Fit Center 2528 is at -1.092944 1.141831 -3.261602 ESP Fit Center 2529 is at -1.397864 1.446751 -3.261602 ESP Fit Center 2530 is at -1.814392 1.558360 -3.261602 ESP Fit Center 2531 is at -2.230920 1.446751 -3.261602 ESP Fit Center 2532 is at -2.535840 1.141831 -3.261602 ESP Fit Center 2533 is at -2.647449 0.725303 -3.261602 ESP Fit Center 2534 is at -2.535840 0.308774 -3.261602 ESP Fit Center 2535 is at -2.230920 0.003855 -3.261602 ESP Fit Center 2536 is at -1.814392 -0.107754 -3.261602 ESP Fit Center 2537 is at -1.397864 0.003855 -3.261602 ESP Fit Center 2538 is at -1.092944 0.308774 -3.261602 ESP Fit Center 2539 is at -1.387152 0.725303 -3.403603 ESP Fit Center 2540 is at -1.600772 1.095304 -3.403603 ESP Fit Center 2541 is at -2.028012 1.095304 -3.403603 ESP Fit Center 2542 is at -2.241632 0.725303 -3.403603 ESP Fit Center 2543 is at -2.028012 0.355302 -3.403603 ESP Fit Center 2544 is at -1.600772 0.355302 -3.403603 ESP Fit Center 2545 is at -1.814392 0.725303 -3.451742 ESP Fit Center 2546 is at 0.138128 -1.831210 -0.445468 ESP Fit Center 2547 is at 0.244168 -1.870051 -0.862224 ESP Fit Center 2548 is at 0.138128 -1.831210 -1.278979 ESP Fit Center 2549 is at -0.466707 0.940373 -3.117486 ESP Fit Center 2550 is 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-0.823686 -2.889433 ESP Fit Center 2569 is at -0.308465 -1.146590 -2.889433 ESP Fit Center 2570 is at 0.050971 -1.377585 -2.889433 ESP Fit Center 2571 is at 0.460926 -1.497959 -2.889433 ESP Fit Center 2572 is at 0.888188 -1.497959 -2.889433 ESP Fit Center 2573 is at 1.298144 -1.377585 -2.889433 ESP Fit Center 2574 is at 1.657580 -1.146590 -2.889433 ESP Fit Center 2575 is at 1.937377 -0.823686 -2.889433 ESP Fit Center 2576 is at 2.114868 -0.435035 -2.889433 ESP Fit Center 2577 is at 1.871658 -0.012122 -3.193449 ESP Fit Center 2578 is at 1.799464 0.397311 -3.193449 ESP Fit Center 2579 is at 1.591589 0.757360 -3.193449 ESP Fit Center 2580 is at 1.273108 1.024598 -3.193449 ESP Fit Center 2581 is at 0.882432 1.166792 -3.193449 ESP Fit Center 2582 is at -0.450349 0.397311 -3.193449 ESP Fit Center 2583 is at -0.522543 -0.012122 -3.193449 ESP Fit Center 2584 is at -0.450349 -0.421554 -3.193449 ESP Fit Center 2585 is at -0.242475 -0.781603 -3.193449 ESP Fit Center 2586 is at 0.076007 -1.048841 -3.193449 ESP Fit Center 2587 is at 0.466683 -1.191035 -3.193449 ESP Fit Center 2588 is at 0.882432 -1.191035 -3.193449 ESP Fit Center 2589 is at 1.273108 -1.048841 -3.193449 ESP Fit Center 2590 is at 1.591589 -0.781603 -3.193449 ESP Fit Center 2591 is at 1.799464 -0.421554 -3.193449 ESP Fit Center 2592 is at 1.507614 -0.012122 -3.422193 ESP Fit Center 2593 is at 1.396006 0.404407 -3.422193 ESP Fit Center 2594 is at 1.091086 0.709327 -3.422193 ESP Fit Center 2595 is at 0.674557 0.820935 -3.422193 ESP Fit Center 2596 is at 0.258029 0.709327 -3.422193 ESP Fit Center 2597 is at -0.046891 0.404407 -3.422193 ESP Fit Center 2598 is at -0.158499 -0.012122 -3.422193 ESP Fit Center 2599 is at -0.046891 -0.428650 -3.422193 ESP Fit Center 2600 is at 0.258029 -0.733570 -3.422193 ESP Fit Center 2601 is at 0.674557 -0.845178 -3.422193 ESP Fit Center 2602 is at 1.091086 -0.733570 -3.422193 ESP Fit Center 2603 is at 1.396006 -0.428650 -3.422193 ESP Fit Center 2604 is at 1.101797 -0.012122 -3.564194 ESP Fit Center 2605 is at 0.888177 0.357879 -3.564194 ESP Fit Center 2606 is at 0.460937 0.357879 -3.564194 ESP Fit Center 2607 is at 0.247317 -0.012122 -3.564194 ESP Fit Center 2608 is at 0.460937 -0.382122 -3.564194 ESP Fit Center 2609 is at 0.888177 -0.382122 -3.564194 ESP Fit Center 2610 is at 0.674557 -0.012122 -3.612333 ESP Fit Center 2611 is at 2.552651 1.925571 -1.747343 ESP Fit Center 2612 is at -1.393231 3.122541 -1.747343 ESP Fit Center 2613 is at -1.592327 2.750058 -1.747343 ESP Fit Center 2614 is at 2.403328 1.925571 -2.132791 ESP Fit Center 2615 is at 2.359510 2.342468 -2.132791 ESP Fit Center 2616 is at 2.229972 2.741145 -2.132791 ESP Fit Center 2617 is at 2.020375 3.104178 -2.132791 ESP Fit Center 2618 is at 1.739880 3.415699 -2.132791 ESP Fit Center 2619 is at 1.400745 3.662095 -2.132791 ESP Fit Center 2620 is at 1.017792 3.832597 -2.132791 ESP Fit Center 2621 is at -0.943556 3.415699 -2.132791 ESP Fit Center 2622 is at -1.224051 3.104178 -2.132791 ESP Fit Center 2623 is at -1.433648 2.741145 -2.132791 ESP Fit Center 2624 is at 2.229972 1.109996 -2.132791 ESP Fit Center 2625 is at 2.359510 1.508673 -2.132791 ESP Fit Center 2626 is at 2.185721 1.925571 -2.484239 ESP Fit Center 2627 is at 2.137537 2.337810 -2.484239 ESP Fit Center 2628 is at 1.995583 2.727826 -2.484239 ESP Fit Center 2629 is at 1.767511 3.074591 -2.484239 ESP Fit Center 2630 is at 1.465618 3.359413 -2.484239 ESP Fit Center 2631 is at 1.106178 3.566936 -2.484239 ESP Fit Center 2632 is at 0.708568 3.685972 -2.484239 ESP Fit Center 2633 is at 0.294225 3.710105 -2.484239 ESP Fit Center 2634 is at -0.114516 3.638033 -2.484239 ESP Fit Center 2635 is at -0.495617 3.473642 -2.484239 ESP Fit Center 2636 is at -0.828535 3.225794 -2.484239 ESP Fit Center 2637 is at -1.095321 2.907850 -2.484239 ESP Fit Center 2638 is at -1.281594 2.536952 -2.484239 ESP Fit Center 2639 is at 2.137537 1.513331 -2.484239 ESP Fit Center 2640 is at 1.907240 1.925571 -2.789718 ESP Fit Center 2641 is at 1.846112 2.350727 -2.789718 ESP Fit Center 2642 is at 1.667679 2.741440 -2.789718 ESP Fit Center 2643 is at 1.386398 3.066056 -2.789718 ESP Fit Center 2644 is at 1.025056 3.298277 -2.789718 ESP Fit Center 2645 is at 0.612926 3.419289 -2.789718 ESP Fit Center 2646 is at 0.183398 3.419289 -2.789718 ESP Fit Center 2647 is at -0.228732 3.298277 -2.789718 ESP Fit Center 2648 is at -0.590074 3.066056 -2.789718 ESP Fit Center 2649 is at -0.871355 2.741440 -2.789718 ESP Fit Center 2650 is at -1.049788 2.350727 -2.789718 ESP Fit Center 2651 is at 1.846112 1.500414 -2.789718 ESP Fit Center 2652 is at 1.577370 1.925571 -3.038824 ESP Fit Center 2653 is at 1.497741 2.351550 -3.038824 ESP Fit Center 2654 is at 1.269607 2.719998 -3.038824 ESP Fit Center 2655 is at 0.923780 2.981155 -3.038824 ESP Fit Center 2656 is at 0.506966 3.099749 -3.038824 ESP Fit Center 2657 is at 0.075456 3.059763 -3.038824 ESP Fit Center 2658 is at -0.312470 2.866599 -3.038824 ESP Fit Center 2659 is at -0.604421 2.546344 -3.038824 ESP Fit Center 2660 is at -0.760968 2.142250 -3.038824 ESP Fit Center 2661 is at -0.760968 1.708892 -3.038824 ESP Fit Center 2662 is at -0.604421 1.304798 -3.038824 ESP Fit Center 2663 is at 1.497741 1.499592 -3.038824 ESP Fit Center 2664 is at 1.207343 1.925571 -3.223075 ESP Fit Center 2665 is at 1.098934 2.330161 -3.223075 ESP Fit Center 2666 is at 0.802753 2.626342 -3.223075 ESP Fit Center 2667 is at 0.398162 2.734752 -3.223075 ESP Fit Center 2668 is at -0.006429 2.626342 -3.223075 ESP Fit Center 2669 is at -0.302610 2.330161 -3.223075 ESP Fit Center 2670 is at -0.411019 1.925571 -3.223075 ESP Fit Center 2671 is at -0.302610 1.520980 -3.223075 ESP Fit Center 2672 is at -0.006429 1.224799 -3.223075 ESP Fit Center 2673 is at 0.398162 1.116390 -3.223075 ESP Fit Center 2674 is at 0.802753 1.224799 -3.223075 ESP Fit Center 2675 is at 1.098934 1.520980 -3.223075 ESP Fit Center 2676 is at 0.809761 1.925571 -3.336197 ESP Fit Center 2677 is at 0.603961 2.282026 -3.336197 ESP Fit Center 2678 is 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Center 2697 is at 3.357704 3.788842 0.673430 ESP Fit Center 2698 is at 3.120808 4.132045 0.673430 ESP Fit Center 2699 is at 2.808662 4.408582 0.673430 ESP Fit Center 2700 is at 2.439406 4.602383 0.673430 ESP Fit Center 2701 is at 3.505583 2.570953 0.673430 ESP Fit Center 2702 is at 3.697851 2.984935 0.267614 ESP Fit Center 2703 is at 3.650919 3.401464 0.267614 ESP Fit Center 2704 is at 3.512478 3.797106 0.267614 ESP Fit Center 2705 is at 3.289469 4.152022 0.267614 ESP Fit Center 2706 is at 2.993076 4.448416 0.267614 ESP Fit Center 2707 is at 2.638159 4.671424 0.267614 ESP Fit Center 2708 is at 2.242517 4.809865 0.267614 ESP Fit Center 2709 is at 3.650919 2.568407 0.267614 ESP Fit Center 2710 is at 3.745989 2.984935 -0.159627 ESP Fit Center 2711 is at 3.701101 3.397679 -0.159627 ESP Fit Center 2712 is at 3.568534 3.791122 -0.159627 ESP Fit Center 2713 is at 3.354488 4.146870 -0.159627 ESP Fit Center 2714 is at 3.068971 4.448287 -0.159627 ESP Fit Center 2715 is at 2.725333 4.681278 -0.159627 ESP Fit Center 2716 is at 2.339644 4.834951 -0.159627 ESP Fit Center 2717 is at 3.701101 2.572192 -0.159627 ESP Fit Center 2718 is at 3.697851 2.984935 -0.586867 ESP Fit Center 2719 is at 3.650919 3.401464 -0.586867 ESP Fit Center 2720 is at 3.512478 3.797106 -0.586867 ESP Fit Center 2721 is at 3.289469 4.152022 -0.586867 ESP Fit Center 2722 is at 2.993076 4.448416 -0.586867 ESP Fit Center 2723 is at 2.638159 4.671424 -0.586867 ESP Fit Center 2724 is at 2.242517 4.809865 -0.586867 ESP Fit Center 2725 is at 3.512478 2.172765 -0.586867 ESP Fit Center 2726 is at 3.650919 2.568407 -0.586867 ESP Fit Center 2727 is at 3.555849 2.984935 -0.992683 ESP Fit Center 2728 is at 3.505583 3.398918 -0.992683 ESP Fit Center 2729 is at 3.357704 3.788842 -0.992683 ESP Fit Center 2730 is at 3.120808 4.132045 -0.992683 ESP Fit Center 2731 is at 2.808662 4.408582 -0.992683 ESP Fit Center 2732 is at 2.439406 4.602383 -0.992683 ESP Fit Center 2733 is at 2.034501 4.702183 -0.992683 ESP Fit Center 2734 is at 3.357704 2.181029 -0.992683 ESP Fit Center 2735 is at 3.505583 2.570953 -0.992683 ESP Fit Center 2736 is at 3.327106 2.984935 -1.356727 ESP Fit Center 2737 is at 3.266300 3.407849 -1.356727 ESP Fit Center 2738 is at 3.088809 3.796500 -1.356727 ESP Fit Center 2739 is at 2.809011 4.119403 -1.356727 ESP Fit Center 2740 is at 2.449575 4.350399 -1.356727 ESP Fit Center 2741 is at 2.039620 4.470773 -1.356727 ESP Fit Center 2742 is at 3.088809 2.173371 -1.356727 ESP Fit Center 2743 is at 3.266300 2.562022 -1.356727 ESP Fit Center 2744 is at 3.023090 2.984935 -1.660743 ESP Fit Center 2745 is at 2.950896 3.394368 -1.660743 ESP Fit Center 2746 is at 2.743021 3.754417 -1.660743 ESP Fit Center 2747 is at 2.424539 4.021655 -1.660743 ESP Fit Center 2748 is at 2.033863 4.163849 -1.660743 ESP Fit Center 2749 is at 1.618115 4.163849 -1.660743 ESP Fit Center 2750 is at 2.743021 2.215454 -1.660743 ESP Fit Center 2751 is at 2.950896 2.575503 -1.660743 ESP Fit Center 2752 is at 2.659046 2.984935 -1.889487 ESP Fit Center 2753 is at 2.547437 3.401464 -1.889487 ESP Fit Center 2754 is at 2.242517 3.706384 -1.889487 ESP Fit Center 2755 is at 1.825989 3.817992 -1.889487 ESP Fit Center 2756 is at 2.547437 2.568407 -1.889487 ESP Fit Center 2757 is at 2.253229 2.984935 -2.031488 ESP Fit Center 2758 is at 2.039609 3.354936 -2.031488 ESP Fit Center 2759 is at -0.816383 3.409353 2.500285 ESP Fit Center 2760 is at -1.305507 3.819777 2.323484 ESP Fit Center 2761 is at -1.233138 3.409353 2.323484 ESP Fit Center 2762 is at -1.520480 4.434387 2.083530 ESP Fit Center 2763 is at -1.641557 4.830053 1.787713 ESP Fit Center 2764 is at -1.377746 5.463374 1.445023 ESP Fit Center 2765 is at -1.682556 5.173630 1.445023 ESP Fit Center 2766 is at -1.233138 5.772892 1.065871 ESP Fit Center 2767 is at -1.582390 5.524191 1.065871 ESP Fit Center 2768 is at -1.878263 5.213888 1.065871 ESP Fit Center 2769 is at -0.631444 6.124057 0.661779 ESP Fit Center 2770 is at -1.034437 5.993117 0.661779 ESP Fit Center 2771 is at -1.407574 5.792323 0.661779 ESP Fit Center 2772 is at -1.738861 5.528131 0.661779 ESP Fit Center 2773 is at -2.017650 5.209031 0.661779 ESP Fit Center 2774 is at 1.972954 5.019777 0.245023 ESP Fit Center 2775 is at 1.732999 5.362468 0.245023 ESP Fit Center 2776 is at 1.437183 5.658284 0.245023 ESP Fit Center 2777 is at 1.094493 5.898238 0.245023 ESP Fit Center 2778 is at 0.715341 6.075040 0.245023 ESP Fit Center 2779 is at 0.311248 6.183316 0.245023 ESP Fit Center 2780 is at -0.105507 6.219777 0.245023 ESP Fit Center 2781 is at -0.522263 6.183316 0.245023 ESP Fit Center 2782 is at -0.926356 6.075040 0.245023 ESP Fit Center 2783 is at -1.305507 5.898238 0.245023 ESP Fit Center 2784 is at -1.648198 5.658284 0.245023 ESP Fit Center 2785 is at -1.944014 5.362468 0.245023 ESP Fit Center 2786 is at 1.923470 5.032035 -0.171733 ESP Fit Center 2787 is at 1.674406 5.374841 -0.171733 ESP Fit Center 2788 is at 1.368135 5.667666 -0.171733 ESP Fit Center 2789 is at -1.738861 5.528131 -0.171733 ESP Fit Center 2790 is at -2.017650 5.209031 -0.171733 ESP Fit Center 2791 is at 1.791740 5.039064 -0.575825 ESP Fit Center 2792 is at -1.878263 5.213888 -0.575825 ESP Fit Center 2793 is at -2.110064 4.853198 -0.575825 ESP Fit Center 2794 is at -2.088649 4.441992 -0.954977 ESP Fit Center 2795 is at -1.931583 4.033215 -1.297667 ESP Fit Center 2796 is at -1.633829 3.609714 -1.593484 ESP Fit Center 2797 is at -1.520480 3.205168 -1.593484 ESP Fit Center 2798 is at -1.233138 3.409353 -1.833438 ESP Fit Center 2799 is at 1.799978 -0.104650 2.648123 ESP Fit Center 2800 is at 0.808641 -0.581371 2.859682 ESP Fit Center 2801 is at 1.235881 -0.581371 2.811543 ESP Fit Center 2802 is at 1.022261 -0.211370 2.811543 ESP Fit Center 2803 is at 0.595021 -0.211370 2.811543 ESP Fit Center 2804 is at 0.381401 -0.581371 2.811543 ESP Fit Center 2805 is at 0.595021 -0.951372 2.811543 ESP Fit Center 2806 is at 1.022261 -0.951372 2.811543 ESP Fit Center 2807 is at 1.641698 -0.581371 2.669542 ESP Fit Center 2808 is at 0.087193 -0.164843 2.669542 ESP Fit Center 2809 is at -0.024416 -0.581371 2.669542 ESP Fit Center 2810 is at 0.087193 -0.997899 2.669542 ESP Fit Center 2811 is at 0.392113 -1.302819 2.669542 ESP Fit Center 2812 is at 0.808641 -1.414428 2.669542 ESP Fit Center 2813 is at 1.225169 -1.302819 2.669542 ESP Fit Center 2814 is at 1.530089 -0.997899 2.669542 ESP Fit Center 2815 is at -0.108391 -1.350852 2.440798 ESP Fit Center 2816 is at 0.210091 -1.618090 2.440798 ESP Fit Center 2817 is at 0.600767 -1.760285 2.440798 ESP Fit Center 2818 is at 1.016515 -1.760285 2.440798 ESP Fit Center 2819 is at 0.185055 -1.946835 2.136782 ESP Fit Center 2820 is at 0.595010 -2.067208 2.136782 ESP Fit Center 2821 is at 1.022272 -2.067208 2.136782 ESP Fit Center 2822 is at 0.195224 -2.198818 1.772739 ESP Fit Center 2823 is at 0.600129 -2.298619 1.772739 ESP Fit Center 2824 is at 1.017153 -2.298619 1.772739 ESP Fit Center 2825 is at -0.003529 -2.267860 1.366922 ESP Fit Center 2826 is at 0.392113 -2.406301 1.366922 ESP Fit Center 2827 is at 0.808641 -2.453233 1.366922 ESP Fit Center 2828 is at 0.097976 -2.365006 0.939682 ESP Fit Center 2829 is at 0.498020 -2.476078 0.939682 ESP Fit Center 2830 is at 0.912588 -2.498555 0.939682 ESP Fit Center 2831 is at 0.392113 -2.406301 0.512442 ESP Fit Center 2832 is at 0.808641 -2.453233 0.512442 ESP Fit Center 2833 is at 0.195224 -2.198818 0.106625 ESP Fit Center 2834 is at 0.185055 -1.946835 -0.257419 ESP Fit Center 2835 is at 0.410155 1.601354 3.514375 ESP Fit Center 2836 is at 0.618532 1.240433 3.514375 ESP Fit Center 2837 is at 0.416486 2.312230 3.406098 ESP Fit Center 2838 is at 0.416486 0.890479 3.406098 ESP Fit Center 2839 is at 0.826910 0.780506 3.406098 ESP Fit Center 2840 is at 0.618532 2.783124 3.229297 ESP Fit Center 2841 is at 0.226910 2.640585 3.229297 ESP Fit Center 2842 is at 0.618532 0.419585 3.229297 ESP Fit Center 2843 is at 1.035288 0.419585 3.229297 ESP Fit Center 2844 is at 0.721633 3.140448 2.989343 ESP Fit Center 2845 is at 0.310295 3.054971 2.989343 ESP Fit Center 2846 is at 0.310295 0.147738 2.989343 ESP Fit Center 2847 is at 0.721633 0.062260 2.989343 ESP Fit Center 2848 is at 1.140780 0.090931 2.989343 ESP Fit Center 2849 is at -0.092343 3.193548 2.693526 ESP Fit Center 2850 is at -0.139779 1.559324 3.561535 ESP Fit Center 2851 is at 0.287461 1.559324 3.513397 ESP Fit Center 2852 is at 0.073841 1.929324 3.513397 ESP Fit Center 2853 is at -0.353399 1.929324 3.513397 ESP Fit Center 2854 is at -0.567019 1.559324 3.513397 ESP Fit Center 2855 is at -0.353399 1.189323 3.513397 ESP Fit Center 2856 is at 0.073841 1.189323 3.513397 ESP Fit Center 2857 is at -0.139779 2.392380 3.371395 ESP Fit Center 2858 is at -0.556307 2.280772 3.371395 ESP Fit Center 2859 is at -0.861227 1.975852 3.371395 ESP Fit Center 2860 is at -0.972836 1.559324 3.371395 ESP Fit Center 2861 is at -0.861227 1.142795 3.371395 ESP Fit Center 2862 is at -0.556307 0.837875 3.371395 ESP Fit Center 2863 is at -0.139779 0.726267 3.371395 ESP Fit Center 2864 is at 0.276750 0.837875 3.371395 ESP Fit Center 2865 is at 0.068095 2.738237 3.142651 ESP Fit Center 2866 is at -0.347653 2.738237 3.142651 ESP Fit Center 2867 is at -0.738329 2.596043 3.142651 ESP Fit Center 2868 is at -1.056811 2.328805 3.142651 ESP Fit Center 2869 is at -1.264685 1.968756 3.142651 ESP Fit Center 2870 is at -1.336879 1.559324 3.142651 ESP Fit Center 2871 is at -1.264685 1.149891 3.142651 ESP Fit Center 2872 is at -1.056811 0.789842 3.142651 ESP Fit Center 2873 is at -0.738329 0.522604 3.142651 ESP Fit Center 2874 is at -0.347653 0.380410 3.142651 ESP Fit Center 2875 is at 0.068095 0.380410 3.142651 ESP Fit Center 2876 is at -0.353410 3.045161 2.838635 ESP Fit Center 2877 is at -0.763365 2.924787 2.838635 ESP Fit Center 2878 is at -1.122801 2.693792 2.838635 ESP Fit Center 2879 is at -1.402598 2.370888 2.838635 ESP Fit Center 2880 is at -1.580090 1.982237 2.838635 ESP Fit Center 2881 is at -1.640895 1.559324 2.838635 ESP Fit Center 2882 is at -1.580090 1.136410 2.838635 ESP Fit Center 2883 is at -1.402598 0.747759 2.838635 ESP Fit Center 2884 is at -1.122801 0.424855 2.838635 ESP Fit Center 2885 is at -0.763365 0.193860 2.838635 ESP Fit Center 2886 is at -0.353410 0.073486 2.838635 ESP Fit Center 2887 is at -0.753196 3.176771 2.474592 ESP Fit Center 2888 is at -1.122451 2.982971 2.474592 ESP Fit Center 2889 is at -1.434598 2.706433 2.474592 ESP Fit Center 2890 is at -1.671494 2.363230 2.474592 ESP Fit Center 2891 is at -1.819373 1.973306 2.474592 ESP Fit Center 2892 is at -1.869639 1.559324 2.474592 ESP Fit Center 2893 is at -1.819373 1.145341 2.474592 ESP Fit Center 2894 is at -1.671494 0.755417 2.474592 ESP Fit Center 2895 is at -1.434598 0.412214 2.474592 ESP Fit Center 2896 is at -1.122451 0.135677 2.474592 ESP Fit Center 2897 is at -0.348290 -0.157924 2.474592 ESP Fit Center 2898 is at -1.826268 2.371494 2.068775 ESP Fit Center 2899 is at -1.964709 1.975852 2.068775 ESP Fit Center 2900 is at -2.011640 1.559324 2.068775 ESP Fit Center 2901 is at -1.964709 1.142795 2.068775 ESP Fit Center 2902 is at -1.959273 2.172383 1.641535 ESP Fit Center 2903 is at -2.048524 1.766912 1.641535 ESP Fit Center 2904 is at 1.593883 1.800853 3.809789 ESP Fit Center 2905 is at 2.021123 1.800853 3.761650 ESP Fit Center 2906 is at 1.807503 2.170854 3.761650 ESP Fit Center 2907 is at 1.380263 2.170854 3.761650 ESP Fit Center 2908 is at 1.166643 1.800853 3.761650 ESP Fit Center 2909 is at 1.380263 1.430852 3.761650 ESP Fit Center 2910 is at 1.807503 1.430852 3.761650 ESP Fit Center 2911 is at 2.426940 1.800853 3.619649 ESP Fit Center 2912 is at 2.315331 2.217381 3.619649 ESP Fit Center 2913 is at 2.010411 2.522301 3.619649 ESP Fit Center 2914 is at 1.593883 2.633910 3.619649 ESP Fit Center 2915 is at 1.177355 2.522301 3.619649 ESP Fit Center 2916 is at 0.872435 2.217381 3.619649 ESP Fit Center 2917 is at 0.760826 1.800853 3.619649 ESP Fit Center 2918 is at 0.872435 1.384325 3.619649 ESP Fit Center 2919 is at 1.177355 1.079405 3.619649 ESP Fit Center 2920 is at 1.593883 0.967796 3.619649 ESP Fit Center 2921 is at 2.010411 1.079405 3.619649 ESP Fit Center 2922 is at 2.315331 1.384325 3.619649 ESP Fit Center 2923 is at 2.790984 1.800853 3.390905 ESP Fit Center 2924 is at 2.718790 2.210285 3.390905 ESP Fit Center 2925 is at 2.510915 2.570334 3.390905 ESP Fit Center 2926 is at 2.192433 2.837572 3.390905 ESP Fit Center 2927 is at 1.801757 2.979767 3.390905 ESP Fit Center 2928 is at 1.386009 2.979767 3.390905 ESP Fit Center 2929 is at 0.995333 2.837572 3.390905 ESP Fit Center 2930 is at 0.676851 2.570334 3.390905 ESP Fit Center 2931 is at 1.386009 0.621939 3.390905 ESP Fit Center 2932 is at 1.801757 0.621939 3.390905 ESP Fit Center 2933 is at 2.192433 0.764134 3.390905 ESP Fit Center 2934 is at 2.510915 1.031372 3.390905 ESP Fit Center 2935 is at 2.718790 1.391420 3.390905 ESP Fit Center 2936 is at 3.095000 1.800853 3.086889 ESP Fit Center 2937 is at 3.034194 2.223766 3.086889 ESP Fit Center 2938 is at 2.856703 2.612418 3.086889 ESP Fit Center 2939 is at 2.576905 2.935321 3.086889 ESP Fit Center 2940 is at 2.217469 3.166316 3.086889 ESP Fit Center 2941 is at 1.807514 3.286690 3.086889 ESP Fit Center 2942 is at 1.380252 3.286690 3.086889 ESP Fit Center 2943 is at 0.970297 3.166316 3.086889 ESP Fit Center 2944 is at 1.807514 0.315016 3.086889 ESP Fit Center 2945 is at 2.217469 0.435389 3.086889 ESP Fit Center 2946 is at 2.576905 0.666385 3.086889 ESP Fit Center 2947 is at 2.856703 0.989288 3.086889 ESP Fit Center 2948 is at 3.034194 1.377940 3.086889 ESP Fit Center 2949 is at 3.323743 1.800853 2.722846 ESP Fit Center 2950 is at 3.273477 2.214836 2.722846 ESP Fit Center 2951 is at 3.125598 2.604759 2.722846 ESP Fit Center 2952 is at 2.888702 2.947962 2.722846 ESP Fit Center 2953 is at 2.576556 3.224500 2.722846 ESP Fit Center 2954 is at 2.207300 3.418300 2.722846 ESP Fit Center 2955 is at 1.802395 3.518101 2.722846 ESP Fit Center 2956 is at 1.385371 3.518101 2.722846 ESP Fit Center 2957 is at 0.980466 3.418300 2.722846 ESP Fit Center 2958 is at 2.207300 0.183406 2.722846 ESP Fit Center 2959 is at 2.576556 0.377206 2.722846 ESP Fit Center 2960 is at 2.888702 0.653743 2.722846 ESP Fit Center 2961 is at 3.125598 0.996947 2.722846 ESP Fit Center 2962 is at 3.273477 1.386870 2.722846 ESP Fit Center 2963 is at 3.465745 1.800853 2.317029 ESP Fit Center 2964 is at 3.418813 2.217381 2.317029 ESP Fit Center 2965 is at 3.280372 2.613023 2.317029 ESP Fit Center 2966 is at 3.057363 2.967940 2.317029 ESP Fit Center 2967 is at 2.760970 3.264333 2.317029 ESP Fit Center 2968 is at 2.406053 3.487342 2.317029 ESP Fit Center 2969 is at 2.010411 3.625783 2.317029 ESP Fit Center 2970 is at 1.593883 3.672715 2.317029 ESP Fit Center 2971 is at 2.760970 0.337373 2.317029 ESP Fit Center 2972 is at 3.057363 0.633766 2.317029 ESP Fit Center 2973 is at 3.280372 0.988683 2.317029 ESP Fit Center 2974 is at 3.418813 1.384325 2.317029 ESP Fit Center 2975 is at 3.513883 1.800853 1.889789 ESP Fit Center 2976 is at 3.468995 2.213596 1.889789 ESP Fit Center 2977 is at 3.336428 2.607040 1.889789 ESP Fit Center 2978 is at 3.122382 2.962787 1.889789 ESP Fit Center 2979 is at 2.836865 3.264204 1.889789 ESP Fit Center 2980 is at 2.493227 3.497196 1.889789 ESP Fit Center 2981 is at 2.107537 3.650869 1.889789 ESP Fit Center 2982 is at 3.468995 1.388110 1.889789 ESP Fit Center 2983 is at 3.465745 1.800853 1.462549 ESP Fit Center 2984 is at 3.418813 2.217381 1.462549 ESP Fit Center 2985 is at 3.280372 2.613023 1.462549 ESP Fit Center 2986 is at 3.057363 2.967940 1.462549 ESP Fit Center 2987 is at 3.273477 2.214836 1.056732 ESP Fit Center 2988 is at 3.158831 0.690827 2.162291 ESP Fit Center 2989 is at 3.727577 1.102106 1.728933 ESP Fit Center 2990 is at 3.827409 1.435257 1.423455 ESP Fit Center 2991 is at 3.525516 1.720079 1.423455 ESP Fit Center 2992 is at 4.080273 1.464844 1.072007 ESP Fit Center 2993 is at 3.799778 1.776365 1.072007 ESP Fit Center 2994 is at 3.460643 2.022761 1.072007 ESP Fit Center 2995 is at 4.249452 1.483207 0.686559 ESP Fit Center 2996 is at 3.981514 1.809691 0.686559 ESP Fit Center 2997 is at 3.655030 2.077629 0.686559 ESP Fit Center 2998 is at 4.072308 1.825420 0.280235 ESP Fit Center 2999 is at 3.751845 2.103103 0.280235 ESP Fit Center 3000 is at 4.072308 1.825420 -0.133128 ESP Fit Center 3001 is at 3.751845 2.103103 -0.133128 ESP Fit Center 3002 is at 3.981514 1.809691 -0.539452 ESP Fit Center 3003 is at 3.655030 2.077629 -0.539452 ESP Fit Center 3004 is at 3.799778 1.776365 -0.924900 ESP Fit Center 3005 is at 3.460643 2.022761 -0.924900 ESP Fit Center 3006 is at 3.525516 1.720079 -1.276348 ESP Fit Center 3007 is at 3.166076 1.927602 -1.276348 ESP Fit Center 3008 is at 3.446296 1.426722 -1.581827 ESP Fit Center 3009 is at 3.084954 1.658943 -1.581827 ESP Fit Center 3010 is at 2.672824 1.779955 -1.581827 ESP Fit Center 3011 is at 2.983678 1.341821 -1.830933 ESP Fit Center 3012 is at 2.566863 1.460415 -1.830933 ESP Fit Center 3013 is at 2.458060 1.095418 -2.015184 ESP Fit Center 3014 is at 0.214428 4.392496 3.034422 ESP Fit Center 3015 is at 0.641668 4.392496 2.986284 ESP Fit Center 3016 is at 0.428048 4.762497 2.986284 ESP Fit Center 3017 is at 0.000808 4.762497 2.986284 ESP Fit Center 3018 is at -0.212812 4.392496 2.986284 ESP Fit Center 3019 is at 0.000808 4.022495 2.986284 ESP Fit Center 3020 is at 0.428048 4.022495 2.986284 ESP Fit Center 3021 is at 1.047485 4.392496 2.844283 ESP Fit Center 3022 is at 0.935877 4.809024 2.844283 ESP Fit Center 3023 is at 0.630957 5.113944 2.844283 ESP Fit Center 3024 is at 0.214428 5.225553 2.844283 ESP Fit Center 3025 is at -0.202100 5.113944 2.844283 ESP Fit Center 3026 is at -0.507020 4.809024 2.844283 ESP Fit Center 3027 is at -0.618628 4.392496 2.844283 ESP Fit Center 3028 is at -0.507020 3.975967 2.844283 ESP Fit Center 3029 is at -0.202100 3.671048 2.844283 ESP Fit Center 3030 is at 0.214428 3.559439 2.844283 ESP Fit Center 3031 is at 0.630957 3.671048 2.844283 ESP Fit Center 3032 is at 0.935877 3.975967 2.844283 ESP Fit Center 3033 is at 1.411529 4.392496 2.615539 ESP Fit Center 3034 is at 1.339335 4.801928 2.615539 ESP Fit Center 3035 is at 1.131460 5.161977 2.615539 ESP Fit Center 3036 is at 0.812979 5.429215 2.615539 ESP Fit Center 3037 is at 0.422303 5.571410 2.615539 ESP Fit Center 3038 is at 0.006554 5.571410 2.615539 ESP Fit Center 3039 is at -0.384122 5.429215 2.615539 ESP Fit Center 3040 is at -0.702604 5.161977 2.615539 ESP Fit Center 3041 is at -0.910478 4.801928 2.615539 ESP Fit Center 3042 is at -0.982672 4.392496 2.615539 ESP Fit Center 3043 is at -0.910478 3.983063 2.615539 ESP Fit Center 3044 is at -0.702604 3.623015 2.615539 ESP Fit Center 3045 is at -0.384122 3.355776 2.615539 ESP Fit Center 3046 is at 1.131460 3.623015 2.615539 ESP Fit Center 3047 is at 1.339335 3.983063 2.615539 ESP Fit Center 3048 is at 1.715545 4.392496 2.311523 ESP Fit Center 3049 is at 1.654739 4.815409 2.311523 ESP Fit Center 3050 is at 1.477248 5.204061 2.311523 ESP Fit Center 3051 is at 1.197451 5.526964 2.311523 ESP Fit Center 3052 is at 0.838015 5.757959 2.311523 ESP Fit Center 3053 is at 0.428059 5.878333 2.311523 ESP Fit Center 3054 is at 0.000797 5.878333 2.311523 ESP Fit Center 3055 is at -0.409158 5.757959 2.311523 ESP Fit Center 3056 is at -0.768594 5.526964 2.311523 ESP Fit Center 3057 is at -1.048391 5.204061 2.311523 ESP Fit Center 3058 is at -1.225882 4.815409 2.311523 ESP Fit Center 3059 is at -1.286688 4.392496 2.311523 ESP Fit Center 3060 is at 1.654739 3.969582 2.311523 ESP Fit Center 3061 is at 1.944289 4.392496 1.947479 ESP Fit Center 3062 is at 1.894022 4.806478 1.947479 ESP Fit Center 3063 is at 1.746143 5.196402 1.947479 ESP Fit Center 3064 is at 1.509247 5.539605 1.947479 ESP Fit Center 3065 is at 1.197101 5.816143 1.947479 ESP Fit Center 3066 is at 0.827845 6.009943 1.947479 ESP Fit Center 3067 is at 0.422940 6.109743 1.947479 ESP Fit Center 3068 is at 0.005917 6.109743 1.947479 ESP Fit Center 3069 is at -0.398989 6.009943 1.947479 ESP Fit Center 3070 is at -0.768244 5.816143 1.947479 ESP Fit Center 3071 is at -1.080391 5.539605 1.947479 ESP Fit Center 3072 is at -1.317287 5.196402 1.947479 ESP Fit Center 3073 is at 1.894022 3.978513 1.947479 ESP Fit Center 3074 is at 2.086290 4.392496 1.541662 ESP Fit Center 3075 is at 2.039358 4.809024 1.541662 ESP Fit Center 3076 is at 1.900917 5.204666 1.541662 ESP Fit Center 3077 is at 1.677909 5.559582 1.541662 ESP Fit Center 3078 is at 1.381515 5.855976 1.541662 ESP Fit Center 3079 is at 1.026599 6.078985 1.541662 ESP Fit Center 3080 is at 0.630957 6.217426 1.541662 ESP Fit Center 3081 is at 0.214428 6.264357 1.541662 ESP Fit Center 3082 is at -0.202100 6.217426 1.541662 ESP Fit Center 3083 is at -0.597742 6.078985 1.541662 ESP Fit Center 3084 is at -0.952658 5.855976 1.541662 ESP Fit Center 3085 is at -1.249052 5.559582 1.541662 ESP Fit Center 3086 is at 2.134428 4.392496 1.114422 ESP Fit Center 3087 is at 2.089540 4.805239 1.114422 ESP Fit Center 3088 is at 1.956973 5.198683 1.114422 ESP Fit Center 3089 is at 1.742927 5.554430 1.114422 ESP Fit Center 3090 is at 1.457410 5.855847 1.114422 ESP Fit Center 3091 is at 1.113773 6.088839 1.114422 ESP Fit Center 3092 is at 0.728083 6.242512 1.114422 ESP Fit Center 3093 is at 0.318375 6.309680 1.114422 ESP Fit Center 3094 is at -0.096193 6.287203 1.114422 ESP Fit Center 3095 is at -0.496237 6.176131 1.114422 ESP Fit Center 3096 is at -0.863051 5.981659 1.114422 ESP Fit Center 3097 is at 2.039358 4.809024 0.687182 ESP Fit Center 3098 is at 1.900917 5.204666 0.687182 ESP Fit Center 3099 is at 1.677909 5.559582 0.687182 ESP Fit Center 3100 is at 1.381515 5.855976 0.687182 ESP Fit Center 3101 is at 1.026599 6.078985 0.687182 ESP Fit Center 3102 is at 0.630957 6.217426 0.687182 ESP Fit Center 3103 is at 0.214428 6.264357 0.687182 ESP Fit Center 3104 is at -0.202100 6.217426 0.687182 ESP Fit Center 3105 is at -1.551702 3.484149 2.276770 ESP Fit Center 3106 is at -1.338082 3.114148 2.276770 ESP Fit Center 3107 is at -1.540990 4.205597 2.134768 ESP Fit Center 3108 is at -1.845910 3.900677 2.134768 ESP Fit Center 3109 is at -1.957518 3.484149 2.134768 ESP Fit Center 3110 is at -1.845910 3.067620 2.134768 ESP Fit Center 3111 is at -1.723012 4.520868 1.906025 ESP Fit Center 3112 is at -2.041494 4.253630 1.906025 ESP Fit Center 3113 is at -2.249368 3.893581 1.906025 ESP Fit Center 3114 is at -2.321562 3.484149 1.906025 ESP Fit Center 3115 is at -2.249368 3.074716 1.906025 ESP Fit Center 3116 is at -2.041494 2.714667 1.906025 ESP Fit Center 3117 is at -2.107484 4.618617 1.602009 ESP Fit Center 3118 is at -2.387281 4.295714 1.602009 ESP Fit Center 3119 is at -2.564772 3.907062 1.602009 ESP Fit Center 3120 is at -2.625578 3.484149 1.602009 ESP Fit Center 3121 is at -2.564772 3.061235 1.602009 ESP Fit Center 3122 is at -2.387281 2.672584 1.602009 ESP Fit Center 3123 is at -2.107484 2.349681 1.602009 ESP Fit Center 3124 is at -2.107134 4.907796 1.237965 ESP Fit Center 3125 is at -2.419280 4.631258 1.237965 ESP Fit Center 3126 is at -2.656177 4.288055 1.237965 ESP Fit Center 3127 is at -2.804055 3.898131 1.237965 ESP Fit Center 3128 is at -2.854322 3.484149 1.237965 ESP Fit Center 3129 is at -2.804055 3.070166 1.237965 ESP Fit Center 3130 is at -2.656177 2.680243 1.237965 ESP Fit Center 3131 is at -2.419280 2.337039 1.237965 ESP Fit Center 3132 is at -2.107134 2.060502 1.237965 ESP Fit Center 3133 is at -2.291548 4.947629 0.832148 ESP Fit Center 3134 is at -2.587942 4.651235 0.832148 ESP Fit Center 3135 is at -2.810950 4.296319 0.832148 ESP Fit Center 3136 is at -2.949392 3.900677 0.832148 ESP Fit Center 3137 is at -2.996323 3.484149 0.832148 ESP Fit Center 3138 is at -2.949392 3.067620 0.832148 ESP Fit Center 3139 is at -2.810950 2.671978 0.832148 ESP Fit Center 3140 is at -2.587942 2.317062 0.832148 ESP Fit Center 3141 is at -2.291548 2.020668 0.832148 ESP Fit Center 3142 is at -2.201941 5.073312 0.404908 ESP Fit Center 3143 is at -2.518373 4.804532 0.404908 ESP Fit Center 3144 is at -2.769627 4.474012 0.404908 ESP Fit Center 3145 is at -2.943956 4.097208 0.404908 ESP Fit Center 3146 is at -3.033206 3.691737 0.404908 ESP Fit Center 3147 is at -3.033206 3.276560 0.404908 ESP Fit Center 3148 is at -2.943956 2.871090 0.404908 ESP Fit Center 3149 is at -2.769627 2.494285 0.404908 ESP Fit Center 3150 is at -2.518373 2.163766 0.404908 ESP Fit Center 3151 is at -2.291548 4.947629 -0.022332 ESP Fit Center 3152 is at -2.587942 4.651235 -0.022332 ESP Fit Center 3153 is at -2.810950 4.296319 -0.022332 ESP Fit Center 3154 is at -2.949392 3.900677 -0.022332 ESP Fit Center 3155 is at -2.996323 3.484149 -0.022332 ESP Fit Center 3156 is at -2.949392 3.067620 -0.022332 ESP Fit Center 3157 is at -2.810950 2.671978 -0.022332 ESP Fit Center 3158 is at -2.587942 2.317062 -0.022332 ESP Fit Center 3159 is at -2.419280 4.631258 -0.428149 ESP Fit Center 3160 is at -2.656177 4.288055 -0.428149 ESP Fit Center 3161 is at -2.804055 3.898131 -0.428149 ESP Fit Center 3162 is at -2.854322 3.484149 -0.428149 ESP Fit Center 3163 is at -2.804055 3.070166 -0.428149 ESP Fit Center 3164 is at -2.656177 2.680243 -0.428149 ESP Fit Center 3165 is at -2.419280 2.337039 -0.428149 ESP Fit Center 3166 is at -2.387281 4.295714 -0.792192 ESP Fit Center 3167 is at -2.564772 3.907062 -0.792192 ESP Fit Center 3168 is at -2.625578 3.484149 -0.792192 ESP Fit Center 3169 is at -2.564772 3.061235 -0.792192 ESP Fit Center 3170 is at -2.387281 2.672584 -0.792192 ESP Fit Center 3171 is at -2.249368 3.893581 -1.096208 ESP Fit Center 3172 is at -2.321562 3.484149 -1.096208 ESP Fit Center 3173 is at -2.249368 3.074716 -1.096208 ESP Fit Center 3174 is at -2.041494 2.714667 -1.096208 ESP Fit Center 3175 is at -1.957518 3.484149 -1.324952 ESP Fit Center 3176 is at -1.845910 3.067620 -1.324952 ESP Fit Center 3177 is at 1.070152 5.943282 -0.190731 ESP Fit Center 3178 is at 0.715235 6.166291 -0.190731 ESP Fit Center 3179 is at 0.319593 6.304732 -0.190731 ESP Fit Center 3180 is at -0.096935 6.351664 -0.190731 ESP Fit Center 3181 is at -0.513463 6.304732 -0.190731 ESP Fit Center 3182 is at -0.909105 6.166291 -0.190731 ESP Fit Center 3183 is at -1.264022 5.943282 -0.190731 ESP Fit Center 3184 is at 1.645610 5.285989 -0.617971 ESP Fit Center 3185 is at 1.431564 5.641737 -0.617971 ESP Fit Center 3186 is at 1.146047 5.943153 -0.617971 ESP Fit Center 3187 is at 0.802409 6.176145 -0.617971 ESP Fit Center 3188 is at 0.416719 6.329818 -0.617971 ESP Fit Center 3189 is at 0.007012 6.396986 -0.617971 ESP Fit Center 3190 is at -0.407556 6.374509 -0.617971 ESP Fit Center 3191 is at -0.807600 6.263437 -0.617971 ESP Fit Center 3192 is at -1.174414 6.068965 -0.617971 ESP Fit Center 3193 is at -1.490846 5.800185 -0.617971 ESP Fit Center 3194 is at -1.742101 5.469665 -0.617971 ESP Fit Center 3195 is at 1.727995 4.896330 -1.045212 ESP Fit Center 3196 is at 1.589554 5.291972 -1.045212 ESP Fit Center 3197 is at 1.366545 5.646889 -1.045212 ESP Fit Center 3198 is at 1.070152 5.943282 -1.045212 ESP Fit Center 3199 is at 0.715235 6.166291 -1.045212 ESP Fit Center 3200 is at 0.319593 6.304732 -1.045212 ESP Fit Center 3201 is at -0.096935 6.351664 -1.045212 ESP Fit Center 3202 is at -0.513463 6.304732 -1.045212 ESP Fit Center 3203 is at -0.909105 6.166291 -1.045212 ESP Fit Center 3204 is at -1.264022 5.943282 -1.045212 ESP Fit Center 3205 is at -1.560415 5.646889 -1.045212 ESP Fit Center 3206 is at -1.783424 5.291972 -1.045212 ESP Fit Center 3207 is at -1.921865 4.896330 -1.045212 ESP Fit Center 3208 is at 1.632925 4.479802 -1.451028 ESP Fit Center 3209 is at 1.582659 4.893785 -1.451028 ESP Fit Center 3210 is at 1.434780 5.283708 -1.451028 ESP Fit Center 3211 is at 1.197884 5.626912 -1.451028 ESP Fit Center 3212 is at 0.885738 5.903449 -1.451028 ESP Fit Center 3213 is at 0.516482 6.097249 -1.451028 ESP Fit Center 3214 is at 0.111577 6.197050 -1.451028 ESP Fit Center 3215 is at -0.305447 6.197050 -1.451028 ESP Fit Center 3216 is at -0.710352 6.097249 -1.451028 ESP Fit Center 3217 is at -1.079608 5.903449 -1.451028 ESP Fit Center 3218 is at -1.391754 5.626912 -1.451028 ESP Fit Center 3219 is at -1.628650 5.283708 -1.451028 ESP Fit Center 3220 is at -1.776529 4.893785 -1.451028 ESP Fit Center 3221 is at -1.826795 4.479802 -1.451028 ESP Fit Center 3222 is at 1.404181 4.479802 -1.815072 ESP Fit Center 3223 is at 1.343376 4.902715 -1.815072 ESP Fit Center 3224 is at 1.165884 5.291367 -1.815072 ESP Fit Center 3225 is at 0.886087 5.614270 -1.815072 ESP Fit Center 3226 is at 0.526651 5.845266 -1.815072 ESP Fit Center 3227 is at 0.116696 5.965639 -1.815072 ESP Fit Center 3228 is at -0.310566 5.965639 -1.815072 ESP Fit Center 3229 is at -0.720521 5.845266 -1.815072 ESP Fit Center 3230 is at -1.079957 5.614270 -1.815072 ESP Fit Center 3231 is at -1.359755 5.291367 -1.815072 ESP Fit Center 3232 is at -1.537246 4.902715 -1.815072 ESP Fit Center 3233 is at -1.598051 4.479802 -1.815072 ESP Fit Center 3234 is at -1.537246 4.056889 -1.815072 ESP Fit Center 3235 is at -1.359755 3.668237 -1.815072 ESP Fit Center 3236 is at 1.100165 4.479802 -2.119088 ESP Fit Center 3237 is at 1.027971 4.889234 -2.119088 ESP Fit Center 3238 is at 0.820097 5.249283 -2.119088 ESP Fit Center 3239 is at 0.501615 5.516521 -2.119088 ESP Fit Center 3240 is at 0.110939 5.658716 -2.119088 ESP Fit Center 3241 is at -0.304809 5.658716 -2.119088 ESP Fit Center 3242 is at -0.695485 5.516521 -2.119088 ESP Fit Center 3243 is at -1.013967 5.249283 -2.119088 ESP Fit Center 3244 is at -1.221841 4.889234 -2.119088 ESP Fit Center 3245 is at -1.294035 4.479802 -2.119088 ESP Fit Center 3246 is at -1.221841 4.070370 -2.119088 ESP Fit Center 3247 is at -1.013967 3.710321 -2.119088 ESP Fit Center 3248 is at 1.027971 4.070370 -2.119088 ESP Fit Center 3249 is at 0.736122 4.479802 -2.347832 ESP Fit Center 3250 is at 0.624513 4.896330 -2.347832 ESP Fit Center 3251 is at 0.319593 5.201250 -2.347832 ESP Fit Center 3252 is at -0.096935 5.312859 -2.347832 ESP Fit Center 3253 is at -0.513463 5.201250 -2.347832 ESP Fit Center 3254 is at -0.818383 4.896330 -2.347832 ESP Fit Center 3255 is at -0.929992 4.479802 -2.347832 ESP Fit Center 3256 is at -0.818383 4.063274 -2.347832 ESP Fit Center 3257 is at -0.513463 3.758354 -2.347832 ESP Fit Center 3258 is at 0.624513 4.063274 -2.347832 ESP Fit Center 3259 is at 0.330305 4.479802 -2.489833 ESP Fit Center 3260 is at 0.116685 4.849803 -2.489833 ESP Fit Center 3261 is at -0.310555 4.849803 -2.489833 ESP Fit Center 3262 is at -0.524175 4.479802 -2.489833 ESP Fit Center 3263 is at -0.310555 4.109801 -2.489833 ESP Fit Center 3264 is at 0.116685 4.109801 -2.489833 ESP Fit Center 3265 is at -0.096935 4.479802 -2.537971 ESP Fit Center 3266 is at 3.173927 0.440865 2.286420 ESP Fit Center 3267 is at 3.699858 0.726162 2.040169 ESP Fit Center 3268 is at 4.542712 0.660421 1.749609 ESP Fit Center 3269 is at 4.184359 0.867316 1.749609 ESP Fit Center 3270 is at 3.793327 1.002654 1.749609 ESP Fit Center 3271 is at 4.880873 0.706185 1.420656 ESP Fit Center 3272 is at 4.550481 0.950542 1.420656 ESP Fit Center 3273 is at 4.183545 1.135548 1.420656 ESP Fit Center 3274 is at 4.820029 1.006863 1.060005 ESP Fit Center 3275 is at 4.469521 1.221654 1.060005 ESP Fit Center 3276 is at 1.160770 -2.652396 1.060005 ESP Fit Center 3277 is at 1.427748 -2.964987 1.060005 ESP Fit Center 3278 is at 5.132620 -2.964987 1.060005 ESP Fit Center 3279 is at 5.399598 -2.652396 1.060005 ESP Fit Center 3280 is at 5.614390 -2.301888 1.060005 ESP Fit Center 3281 is at 4.661854 1.280571 0.675000 ESP Fit Center 3282 is at 4.289745 1.459769 0.675000 ESP Fit Center 3283 is at 0.997006 -2.669196 0.675000 ESP Fit Center 3284 is at 1.254513 -2.992100 0.675000 ESP Fit Center 3285 is at 1.557270 -3.273017 0.675000 ESP Fit Center 3286 is at 1.898514 -3.505674 0.675000 ESP Fit Center 3287 is at 2.270623 -3.684872 0.675000 ESP Fit Center 3288 is at 2.665283 -3.806608 0.675000 ESP Fit Center 3289 is at 3.073679 -3.868164 0.675000 ESP Fit Center 3290 is at 3.486689 -3.868164 0.675000 ESP Fit Center 3291 is at 3.895085 -3.806608 0.675000 ESP Fit Center 3292 is at 4.289745 -3.684872 0.675000 ESP Fit Center 3293 is at 4.661854 -3.505674 0.675000 ESP Fit Center 3294 is at 5.003098 -3.273017 0.675000 ESP Fit Center 3295 is at 5.305855 -2.992100 0.675000 ESP Fit Center 3296 is at 5.563362 -2.669196 0.675000 ESP Fit Center 3297 is at 4.395101 1.511067 0.273477 ESP Fit Center 3298 is at 2.762394 -3.915818 0.273477 ESP Fit Center 3299 is at 3.176071 -3.961335 0.273477 ESP Fit Center 3300 is at 3.591967 -3.946136 0.273477 ESP Fit Center 3301 is at 4.001218 -3.870543 0.273477 ESP Fit Center 3302 is at 4.395101 -3.736169 0.273477 ESP Fit Center 3303 is at 4.765221 -3.545877 0.273477 ESP Fit Center 3304 is at 5.103691 -3.303723 0.273477 ESP Fit Center 3305 is at 5.403295 -3.014867 0.273477 ESP Fit Center 3306 is at 5.657650 -2.685468 0.273477 ESP Fit Center 3307 is at 4.476579 1.507189 -0.136390 ESP Fit Center 3308 is at 3.280184 -3.992551 -0.136390 ESP Fit Center 3309 is at 3.690051 -3.963237 -0.136390 ESP Fit Center 3310 is at 4.091574 -3.875891 -0.136390 ESP Fit Center 3311 is at 4.476579 -3.732291 -0.136390 ESP Fit Center 3312 is at 4.837230 -3.535361 -0.136390 ESP Fit Center 3313 is at 5.166183 -3.289110 -0.136390 ESP Fit Center 3314 is at 5.456743 -2.998550 -0.136390 ESP Fit Center 3315 is at 4.395101 1.511067 -0.546257 ESP Fit Center 3316 is at 3.591967 -3.946136 -0.546257 ESP Fit Center 3317 is at 4.001218 -3.870543 -0.546257 ESP Fit Center 3318 is at 4.395101 -3.736169 -0.546257 ESP Fit Center 3319 is at 4.765221 -3.545877 -0.546257 ESP Fit Center 3320 is at 5.103691 -3.303723 -0.546257 ESP Fit Center 3321 is at 5.403295 -3.014867 -0.546257 ESP Fit Center 3322 is at 4.289745 1.459769 -0.947780 ESP Fit Center 3323 is at 3.895085 -3.806608 -0.947780 ESP Fit Center 3324 is at 4.289745 -3.684872 -0.947780 ESP Fit Center 3325 is at 4.661854 -3.505674 -0.947780 ESP Fit Center 3326 is at 5.003098 -3.273017 -0.947780 ESP Fit Center 3327 is at 5.305855 -2.992100 -0.947780 ESP Fit Center 3328 is at 4.089728 1.378970 -1.332785 ESP Fit Center 3329 is at 4.089728 -3.604072 -1.332785 ESP Fit Center 3330 is at 4.469521 -3.446757 -1.332785 ESP Fit Center 3331 is at 4.820029 -3.231965 -1.332785 ESP Fit Center 3332 is at 5.132620 -2.964987 -1.332785 ESP Fit Center 3333 is at 5.399598 -2.652396 -1.332785 ESP Fit Center 3334 is at 4.183545 1.135548 -1.693435 ESP Fit Center 3335 is at 3.790620 1.255880 -1.693435 ESP Fit Center 3336 is at 3.383011 1.308076 -1.693435 ESP Fit Center 3337 is at 4.183545 -3.360650 -1.693435 ESP Fit Center 3338 is at 4.550481 -3.175645 -1.693435 ESP Fit Center 3339 is at 4.880873 -2.931288 -1.693435 ESP Fit Center 3340 is at 5.165217 -2.634609 -1.693435 ESP Fit Center 3341 is at 4.184359 0.867316 -2.022389 ESP Fit Center 3342 is at 3.793327 1.002654 -2.022389 ESP Fit Center 3343 is at 3.383749 1.061542 -2.022389 ESP Fit Center 3344 is at 2.970427 1.041853 -2.022389 ESP Fit Center 3345 is at 4.184359 -3.092419 -2.022389 ESP Fit Center 3346 is at 4.542712 -2.885524 -2.022389 ESP Fit Center 3347 is at 4.855434 -2.614549 -2.022389 ESP Fit Center 3348 is at 5.111222 -2.289288 -2.022389 ESP Fit Center 3349 is at 4.098488 0.586675 -2.312949 ESP Fit Center 3350 is at 3.699858 0.726162 -2.312949 ESP Fit Center 3351 is at 3.280184 0.773448 -2.312949 ESP Fit Center 3352 is at 2.860510 0.726162 -2.312949 ESP Fit Center 3353 is at 2.461880 0.586675 -2.312949 ESP Fit Center 3354 is at 4.098488 -2.811777 -2.312949 ESP Fit Center 3355 is at 4.456085 -2.587085 -2.312949 ESP Fit Center 3356 is at 4.754717 -2.288452 -2.312949 ESP Fit Center 3357 is at 4.979410 -1.930855 -2.312949 ESP Fit Center 3358 is at 4.342950 0.025394 -2.559200 ESP Fit Center 3359 is at 3.996526 0.269927 -2.559200 ESP Fit Center 3360 is at 3.596974 0.411927 -2.559200 ESP Fit Center 3361 is at 3.173927 0.440865 -2.559200 ESP Fit Center 3362 is at 2.758761 0.354592 -2.559200 ESP Fit Center 3363 is at 2.382267 0.159508 -2.559200 ESP Fit Center 3364 is at 3.996526 -2.495029 -2.559200 ESP Fit Center 3365 is at 4.342950 -2.250496 -2.559200 ESP Fit Center 3366 is at 4.610554 -1.921567 -2.559200 ESP Fit Center 3367 is at 4.779490 -1.532637 -2.559200 ESP Fit Center 3368 is at 4.476579 -1.112551 -2.756130 ESP Fit Center 3369 is at 4.404428 -0.703360 -2.756130 ESP Fit Center 3370 is at 4.196676 -0.343523 -2.756130 ESP Fit Center 3371 is at 3.878382 -0.076443 -2.756130 ESP Fit Center 3372 is at 3.487936 0.065668 -2.756130 ESP Fit Center 3373 is at 3.072432 0.065668 -2.756130 ESP Fit Center 3374 is at 2.681986 -0.076443 -2.756130 ESP Fit Center 3375 is at 2.363692 -0.343523 -2.756130 ESP Fit Center 3376 is at 2.155940 -0.703360 -2.756130 ESP Fit Center 3377 is at 3.878382 -2.148660 -2.756130 ESP Fit Center 3378 is at 4.196676 -1.881579 -2.756130 ESP Fit Center 3379 is at 4.404428 -1.521742 -2.756130 ESP Fit Center 3380 is at 4.091574 -1.112551 -2.899730 ESP Fit Center 3381 is at 3.982868 -0.706856 -2.899730 ESP Fit Center 3382 is at 3.685879 -0.409867 -2.899730 ESP Fit Center 3383 is at 3.280184 -0.301161 -2.899730 ESP Fit Center 3384 is at 2.874489 -0.409867 -2.899730 ESP Fit Center 3385 is at 2.577500 -0.706856 -2.899730 ESP Fit Center 3386 is at 3.685879 -1.815235 -2.899730 ESP Fit Center 3387 is at 3.982868 -1.518246 -2.899730 ESP Fit Center 3388 is at 3.690051 -1.112551 -2.987076 ESP Fit Center 3389 is at 3.485117 -0.757596 -2.987076 ESP Fit Center 3390 is at 3.075251 -0.757596 -2.987076 ESP Fit Center 3391 is at 2.870317 -1.112551 -2.987076 ESP Fit Center 3392 is at 3.485117 -1.467506 -2.987076 ESP Fit Center 3393 is at 3.280184 -1.112551 -3.016390 ESP Fit Center 3394 is at 5.854287 -0.722794 1.485822 ESP Fit Center 3395 is at 5.774658 -0.296815 1.485822 ESP Fit Center 3396 is at 5.546524 0.071633 1.485822 ESP Fit Center 3397 is at 5.200697 0.332789 1.485822 ESP Fit Center 3398 is at 6.184157 -0.722794 1.236716 ESP Fit Center 3399 is at 6.123029 -0.297638 1.236716 ESP Fit Center 3400 is at 5.944596 0.093075 1.236716 ESP Fit Center 3401 is at 5.663315 0.417691 1.236716 ESP Fit Center 3402 is at 5.301973 0.649911 1.236716 ESP Fit Center 3403 is at 5.944596 -1.538664 1.236716 ESP Fit Center 3404 is at 6.123029 -1.147951 1.236716 ESP Fit Center 3405 is at 6.462637 -0.722794 0.931238 ESP Fit Center 3406 is at 6.414454 -0.310555 0.931238 ESP Fit Center 3407 is at 6.272500 0.079460 0.931238 ESP Fit Center 3408 is at 6.044428 0.426226 0.931238 ESP Fit Center 3409 is at 5.742535 0.711048 0.931238 ESP Fit Center 3410 is at 5.383095 0.918571 0.931238 ESP Fit Center 3411 is at 4.985485 1.037607 0.931238 ESP Fit Center 3412 is at 6.044428 -1.871815 0.931238 ESP Fit Center 3413 is at 6.272500 -1.525049 0.931238 ESP Fit Center 3414 is at 6.414454 -1.135034 0.931238 ESP Fit Center 3415 is at 6.680245 -0.722794 0.579790 ESP Fit Center 3416 is at 6.636427 -0.305897 0.579790 ESP Fit Center 3417 is at 6.506889 0.092780 0.579790 ESP Fit Center 3418 is at 6.297292 0.455812 0.579790 ESP Fit Center 3419 is at 6.016797 0.767334 0.579790 ESP Fit Center 3420 is at 5.677662 1.013730 0.579790 ESP Fit Center 3421 is at 5.294709 1.184232 0.579790 ESP Fit Center 3422 is at 4.884676 1.271387 0.579790 ESP Fit Center 3423 is at 6.016797 -2.212923 0.579790 ESP Fit Center 3424 is at 6.297292 -1.901401 0.579790 ESP Fit Center 3425 is at 6.506889 -1.538369 0.579790 ESP Fit Center 3426 is at 6.636427 -1.139692 0.579790 ESP Fit Center 3427 is at 6.829568 -0.722794 0.194341 ESP Fit Center 3428 is at 6.788170 -0.302474 0.194341 ESP Fit Center 3429 is at 6.665568 0.101693 0.194341 ESP Fit Center 3430 is at 6.466471 0.474176 0.194341 ESP Fit Center 3431 is at 6.198533 0.800660 0.194341 ESP Fit Center 3432 is at 5.872049 1.068598 0.194341 ESP Fit Center 3433 is at 5.499566 1.267694 0.194341 ESP Fit Center 3434 is at 5.095399 1.390297 0.194341 ESP Fit Center 3435 is at 4.675079 1.431695 0.194341 ESP Fit Center 3436 is at 5.872049 -2.514187 0.194341 ESP Fit Center 3437 is at 6.198533 -2.246248 0.194341 ESP Fit Center 3438 is at 6.466471 -1.919765 0.194341 ESP Fit Center 3439 is at 6.665568 -1.547282 0.194341 ESP Fit Center 3440 is at 6.788170 -1.143114 0.194341 ESP Fit Center 3441 is at 6.905523 -0.722794 -0.211983 ESP Fit Center 3442 is at 6.865216 -0.300680 -0.211983 ESP Fit Center 3443 is at 6.745752 0.106178 -0.211983 ESP Fit Center 3444 is at 6.551448 0.483075 -0.211983 ESP Fit Center 3445 is at 6.289328 0.816389 -0.211983 ESP Fit Center 3446 is at 5.968864 1.094072 -0.211983 ESP Fit Center 3447 is at 5.601639 1.306089 -0.211983 ESP Fit Center 3448 is at 5.200926 1.444777 -0.211983 ESP Fit Center 3449 is at 4.781208 1.505124 -0.211983 ESP Fit Center 3450 is at 5.968864 -2.539661 -0.211983 ESP Fit Center 3451 is at 6.289328 -2.261977 -0.211983 ESP Fit Center 3452 is at 6.551448 -1.928664 -0.211983 ESP Fit Center 3453 is at 6.745752 -1.551767 -0.211983 ESP Fit Center 3454 is at 6.865216 -1.144909 -0.211983 ESP Fit Center 3455 is at 6.905523 -0.722794 -0.625345 ESP Fit Center 3456 is at 6.865216 -0.300680 -0.625345 ESP Fit Center 3457 is at 6.745752 0.106178 -0.625345 ESP Fit Center 3458 is at 6.551448 0.483075 -0.625345 ESP Fit Center 3459 is at 6.289328 0.816389 -0.625345 ESP Fit Center 3460 is at 5.968864 1.094072 -0.625345 ESP Fit Center 3461 is at 5.601639 1.306089 -0.625345 ESP Fit Center 3462 is at 5.200926 1.444777 -0.625345 ESP Fit Center 3463 is at 4.781208 1.505124 -0.625345 ESP Fit Center 3464 is at 5.601639 -2.751678 -0.625345 ESP Fit Center 3465 is at 5.968864 -2.539661 -0.625345 ESP Fit Center 3466 is at 6.289328 -2.261977 -0.625345 ESP Fit Center 3467 is at 6.551448 -1.928664 -0.625345 ESP Fit Center 3468 is at 6.745752 -1.551767 -0.625345 ESP Fit Center 3469 is at 6.865216 -1.144909 -0.625345 ESP Fit Center 3470 is at 6.829568 -0.722794 -1.031669 ESP Fit Center 3471 is at 6.788170 -0.302474 -1.031669 ESP Fit Center 3472 is at 6.665568 0.101693 -1.031669 ESP Fit Center 3473 is at 6.466471 0.474176 -1.031669 ESP Fit Center 3474 is at 6.198533 0.800660 -1.031669 ESP Fit Center 3475 is at 5.872049 1.068598 -1.031669 ESP Fit Center 3476 is at 5.499566 1.267694 -1.031669 ESP Fit Center 3477 is at 5.095399 1.390297 -1.031669 ESP Fit Center 3478 is at 4.675079 1.431695 -1.031669 ESP Fit Center 3479 is at 5.872049 -2.514187 -1.031669 ESP Fit Center 3480 is at 6.198533 -2.246248 -1.031669 ESP Fit Center 3481 is at 6.466471 -1.919765 -1.031669 ESP Fit Center 3482 is at 6.665568 -1.547282 -1.031669 ESP Fit Center 3483 is at 6.788170 -1.143114 -1.031669 ESP Fit Center 3484 is at 6.680245 -0.722794 -1.417118 ESP Fit Center 3485 is at 6.636427 -0.305897 -1.417118 ESP Fit Center 3486 is at 6.506889 0.092780 -1.417118 ESP Fit Center 3487 is at 6.297292 0.455812 -1.417118 ESP Fit Center 3488 is at 6.016797 0.767334 -1.417118 ESP Fit Center 3489 is at 5.677662 1.013730 -1.417118 ESP Fit Center 3490 is at 5.294709 1.184232 -1.417118 ESP Fit Center 3491 is at 4.884676 1.271387 -1.417118 ESP Fit Center 3492 is at 4.465482 1.271387 -1.417118 ESP Fit Center 3493 is at 5.677662 -2.459319 -1.417118 ESP Fit Center 3494 is at 6.016797 -2.212923 -1.417118 ESP Fit Center 3495 is at 6.297292 -1.901401 -1.417118 ESP Fit Center 3496 is at 6.506889 -1.538369 -1.417118 ESP Fit Center 3497 is at 6.636427 -1.139692 -1.417118 ESP Fit Center 3498 is at 6.462637 -0.722794 -1.768566 ESP Fit Center 3499 is at 6.414454 -0.310555 -1.768566 ESP Fit Center 3500 is at 6.272500 0.079460 -1.768566 ESP Fit Center 3501 is at 6.044428 0.426226 -1.768566 ESP Fit Center 3502 is at 5.742535 0.711048 -1.768566 ESP Fit Center 3503 is at 5.383095 0.918571 -1.768566 ESP Fit Center 3504 is at 4.985485 1.037607 -1.768566 ESP Fit Center 3505 is at 4.571142 1.061740 -1.768566 ESP Fit Center 3506 is at 5.383095 -2.364159 -1.768566 ESP Fit Center 3507 is at 5.742535 -2.156637 -1.768566 ESP Fit Center 3508 is at 6.044428 -1.871815 -1.768566 ESP Fit Center 3509 is at 6.272500 -1.525049 -1.768566 ESP Fit Center 3510 is at 6.414454 -1.135034 -1.768566 ESP Fit Center 3511 is at 6.184157 -0.722794 -2.074044 ESP Fit Center 3512 is at 6.123029 -0.297638 -2.074044 ESP Fit Center 3513 is at 5.944596 0.093075 -2.074044 ESP Fit Center 3514 is at 5.663315 0.417691 -2.074044 ESP Fit Center 3515 is at 5.301973 0.649911 -2.074044 ESP Fit Center 3516 is at 4.889843 0.770924 -2.074044 ESP Fit Center 3517 is at 4.460315 0.770924 -2.074044 ESP Fit Center 3518 is at 5.301973 -2.095500 -2.074044 ESP Fit Center 3519 is at 5.663315 -1.863280 -2.074044 ESP Fit Center 3520 is at 5.944596 -1.538664 -2.074044 ESP Fit Center 3521 is at 6.123029 -1.147951 -2.074044 ESP Fit Center 3522 is at 5.854287 -0.722794 -2.323150 ESP Fit Center 3523 is at 5.774658 -0.296815 -2.323150 ESP Fit Center 3524 is at 5.546524 0.071633 -2.323150 ESP Fit Center 3525 is at 5.200697 0.332789 -2.323150 ESP Fit Center 3526 is at 4.783882 0.451383 -2.323150 ESP Fit Center 3527 is at 5.200697 -1.778378 -2.323150 ESP Fit Center 3528 is at 5.546524 -1.517222 -2.323150 ESP Fit Center 3529 is at 5.774658 -1.148773 -2.323150 ESP Fit Center 3530 is at 5.484260 -0.722794 -2.507402 ESP Fit Center 3531 is at 5.375850 -0.318204 -2.507402 ESP Fit Center 3532 is at 5.079670 -0.022023 -2.507402 ESP Fit Center 3533 is at 4.675079 0.086387 -2.507402 ESP Fit Center 3534 is at 5.079670 -1.423566 -2.507402 ESP Fit Center 3535 is at 5.375850 -1.127385 -2.507402 ESP Fit Center 3536 is at 5.086678 -0.722794 -2.620524 ESP Fit Center 3537 is at 4.880878 -0.366339 -2.620524 ESP Fit Center 3538 is at 4.880878 -1.079250 -2.620524 ESP Fit Center 3539 is at 4.675079 -0.722794 -2.658664 ESP Fit Center 3540 is at 0.802809 -2.637013 0.382756 ESP Fit Center 3541 is at 0.989081 -3.007912 0.382756 ESP Fit Center 3542 is at 1.255867 -3.325855 0.382756 ESP Fit Center 3543 is at 1.588785 -3.573704 0.382756 ESP Fit Center 3544 is at 1.969887 -3.738095 0.382756 ESP Fit Center 3545 is at 2.378627 -3.810167 0.382756 ESP Fit Center 3546 is at 0.521216 -2.442530 0.031309 ESP Fit Center 3547 is at 0.650754 -2.841207 0.031309 ESP Fit Center 3548 is at 0.860351 -3.204239 0.031309 ESP Fit Center 3549 is at 1.140847 -3.515761 0.031309 ESP Fit Center 3550 is at 1.479982 -3.762157 0.031309 ESP Fit Center 3551 is at 1.862934 -3.932658 0.031309 ESP Fit Center 3552 is at 2.272968 -4.019814 0.031309 ESP Fit Center 3553 is at 2.692161 -4.019814 0.031309 ESP Fit Center 3554 is at 0.328075 -2.025632 -0.354140 ESP Fit Center 3555 is at 0.369473 -2.445952 -0.354140 ESP Fit Center 3556 is at 0.492076 -2.850120 -0.354140 ESP Fit Center 3557 is at 0.691172 -3.222603 -0.354140 ESP Fit Center 3558 is at 0.959110 -3.549086 -0.354140 ESP Fit Center 3559 is at 1.285594 -3.817025 -0.354140 ESP Fit Center 3560 is at 1.658077 -4.016121 -0.354140 ESP Fit Center 3561 is at 2.062245 -4.138724 -0.354140 ESP Fit Center 3562 is at 2.482565 -4.180122 -0.354140 ESP Fit Center 3563 is at 2.902885 -4.138724 -0.354140 ESP Fit Center 3564 is at 3.307052 -4.016121 -0.354140 ESP Fit Center 3565 is at 0.262220 -2.237650 -0.760464 ESP Fit Center 3566 is at 0.342469 -2.654021 -0.760464 ESP Fit Center 3567 is at 0.500066 -3.047681 -0.760464 ESP Fit Center 3568 is at 0.729317 -3.404402 -0.760464 ESP Fit Center 3569 is at 1.021934 -3.711290 -0.760464 ESP Fit Center 3570 is at 1.367342 -3.957254 -0.760464 ESP Fit Center 3571 is at 1.753058 -4.133404 -0.760464 ESP Fit Center 3572 is at 2.165139 -4.233374 -0.760464 ESP Fit Center 3573 is at 2.588693 -4.253551 -0.760464 ESP Fit Center 3574 is at 3.008412 -4.193204 -0.760464 ESP Fit Center 3575 is at 3.409125 -4.054516 -0.760464 ESP Fit Center 3576 is at 0.262220 -2.237650 -1.173827 ESP Fit Center 3577 is at 0.342469 -2.654021 -1.173827 ESP Fit Center 3578 is at 0.500066 -3.047681 -1.173827 ESP Fit Center 3579 is at 0.729317 -3.404402 -1.173827 ESP Fit Center 3580 is at 1.021934 -3.711290 -1.173827 ESP Fit Center 3581 is at 1.367342 -3.957254 -1.173827 ESP Fit Center 3582 is at 1.753058 -4.133404 -1.173827 ESP Fit Center 3583 is at 2.165139 -4.233374 -1.173827 ESP Fit Center 3584 is at 2.588693 -4.253551 -1.173827 ESP Fit Center 3585 is at 3.008412 -4.193204 -1.173827 ESP Fit Center 3586 is at 3.409125 -4.054516 -1.173827 ESP Fit Center 3587 is at 3.776349 -3.842499 -1.173827 ESP Fit Center 3588 is at 0.328075 -2.025632 -1.580150 ESP Fit Center 3589 is at 0.369473 -2.445952 -1.580150 ESP Fit Center 3590 is at 0.492076 -2.850120 -1.580150 ESP Fit Center 3591 is at 0.691172 -3.222603 -1.580150 ESP Fit Center 3592 is at 0.959110 -3.549086 -1.580150 ESP Fit Center 3593 is at 1.285594 -3.817025 -1.580150 ESP Fit Center 3594 is at 1.658077 -4.016121 -1.580150 ESP Fit Center 3595 is at 2.062245 -4.138724 -1.580150 ESP Fit Center 3596 is at 2.482565 -4.180122 -1.580150 ESP Fit Center 3597 is at 2.902885 -4.138724 -1.580150 ESP Fit Center 3598 is at 3.307052 -4.016121 -1.580150 ESP Fit Center 3599 is at 3.679535 -3.817025 -1.580150 ESP Fit Center 3600 is at 4.006019 -3.549086 -1.580150 ESP Fit Center 3601 is at 0.477399 -2.025632 -1.965599 ESP Fit Center 3602 is at 0.521216 -2.442530 -1.965599 ESP Fit Center 3603 is at 0.650754 -2.841207 -1.965599 ESP Fit Center 3604 is at 0.860351 -3.204239 -1.965599 ESP Fit Center 3605 is at 1.140847 -3.515761 -1.965599 ESP Fit Center 3606 is at 1.479982 -3.762157 -1.965599 ESP Fit Center 3607 is at 1.862934 -3.932658 -1.965599 ESP Fit Center 3608 is at 2.272968 -4.019814 -1.965599 ESP Fit Center 3609 is at 2.692161 -4.019814 -1.965599 ESP Fit Center 3610 is at 3.102195 -3.932658 -1.965599 ESP Fit Center 3611 is at 3.485147 -3.762157 -1.965599 ESP Fit Center 3612 is at 3.824282 -3.515761 -1.965599 ESP Fit Center 3613 is at 4.104778 -3.204239 -1.965599 ESP Fit Center 3614 is at 0.707093 -2.233155 -2.317047 ESP Fit Center 3615 is at 0.802809 -2.637013 -2.317047 ESP Fit Center 3616 is at 0.989081 -3.007912 -2.317047 ESP Fit Center 3617 is at 1.255867 -3.325855 -2.317047 ESP Fit Center 3618 is at 1.588785 -3.573704 -2.317047 ESP Fit Center 3619 is at 1.969887 -3.738095 -2.317047 ESP Fit Center 3620 is at 2.378627 -3.810167 -2.317047 ESP Fit Center 3621 is at 2.792971 -3.786034 -2.317047 ESP Fit Center 3622 is at 3.190580 -3.666997 -2.317047 ESP Fit Center 3623 is at 3.550021 -3.459475 -2.317047 ESP Fit Center 3624 is at 3.851914 -3.174653 -2.317047 ESP Fit Center 3625 is at 4.079985 -2.827887 -2.317047 ESP Fit Center 3626 is at 0.973486 -2.025632 -2.622525 ESP Fit Center 3627 is at 1.034615 -2.450789 -2.622525 ESP Fit Center 3628 is at 1.213047 -2.841502 -2.622525 ESP Fit Center 3629 is at 1.494328 -3.166118 -2.622525 ESP Fit Center 3630 is at 1.855671 -3.398338 -2.622525 ESP Fit Center 3631 is at 2.267800 -3.519350 -2.622525 ESP Fit Center 3632 is at 2.697329 -3.519350 -2.622525 ESP Fit Center 3633 is at 3.109458 -3.398338 -2.622525 ESP Fit Center 3634 is at 3.470801 -3.166118 -2.622525 ESP Fit Center 3635 is at 3.752082 -2.841502 -2.622525 ESP Fit Center 3636 is at 3.930515 -2.450789 -2.622525 ESP Fit Center 3637 is at 3.661773 -2.025632 -2.871632 ESP Fit Center 3638 is at 2.159859 -0.891440 -2.871632 ESP Fit Center 3639 is at 1.771933 -1.084604 -2.871632 ESP Fit Center 3640 is at 1.479982 -1.404859 -2.871632 ESP Fit Center 3641 is at 1.323435 -1.808953 -2.871632 ESP Fit Center 3642 is at 1.323435 -2.242311 -2.871632 ESP Fit Center 3643 is at 1.479982 -2.646405 -2.871632 ESP Fit Center 3644 is at 1.771933 -2.966661 -2.871632 ESP Fit Center 3645 is at 2.159859 -3.159825 -2.871632 ESP Fit Center 3646 is at 2.591368 -3.199810 -2.871632 ESP Fit Center 3647 is at 3.008183 -3.081216 -2.871632 ESP Fit Center 3648 is at 3.354010 -2.820060 -2.871632 ESP Fit Center 3649 is at 3.582143 -2.451611 -2.871632 ESP Fit Center 3650 is at 3.291746 -2.025632 -3.055883 ESP Fit Center 3651 is at 3.183336 -1.621042 -3.055883 ESP Fit Center 3652 is at 2.887155 -1.324861 -3.055883 ESP Fit Center 3653 is at 2.482565 -1.216451 -3.055883 ESP Fit Center 3654 is at 2.077974 -1.324861 -3.055883 ESP Fit Center 3655 is at 1.781793 -1.621042 -3.055883 ESP Fit Center 3656 is at 1.673383 -2.025632 -3.055883 ESP Fit Center 3657 is at 1.781793 -2.430223 -3.055883 ESP Fit Center 3658 is at 2.077974 -2.726404 -3.055883 ESP Fit Center 3659 is at 2.482565 -2.834814 -3.055883 ESP Fit Center 3660 is at 2.887155 -2.726404 -3.055883 ESP Fit Center 3661 is at 3.183336 -2.430223 -3.055883 ESP Fit Center 3662 is at 2.894163 -2.025632 -3.169005 ESP Fit Center 3663 is at 2.688364 -1.669177 -3.169005 ESP Fit Center 3664 is at 2.276765 -1.669177 -3.169005 ESP Fit Center 3665 is at 2.070966 -2.025632 -3.169005 ESP Fit Center 3666 is at 2.276765 -2.382088 -3.169005 ESP Fit Center 3667 is at 2.688364 -2.382088 -3.169005 ESP Fit Center 3668 is at 2.482565 -2.025632 -3.207145 ESP Fit Center 3669 is at 3.254120 -1.693163 3.643127 ESP Fit Center 3670 is at 3.048320 -1.336708 3.604986 ESP Fit Center 3671 is at 2.842521 -1.693163 3.604986 ESP Fit Center 3672 is at 3.048320 -2.049618 3.604986 ESP Fit Center 3673 is at 3.459919 -2.049618 3.604986 ESP Fit Center 3674 is at 2.849529 -0.992391 3.491864 ESP Fit Center 3675 is at 2.553348 -1.288572 3.491864 ESP Fit Center 3676 is at 2.444939 -1.693163 3.491864 ESP Fit Center 3677 is at 2.553348 -2.097753 3.491864 ESP Fit Center 3678 is at 2.849529 -2.393934 3.491864 ESP Fit Center 3679 is at 3.254120 -2.502344 3.491864 ESP Fit Center 3680 is at 3.658711 -2.393934 3.491864 ESP Fit Center 3681 is at 2.931414 -0.558970 3.307613 ESP Fit Center 3682 is at 2.543488 -0.752134 3.307613 ESP Fit Center 3683 is at 2.251537 -1.072390 3.307613 ESP Fit Center 3684 is at 2.094990 -1.476484 3.307613 ESP Fit Center 3685 is at 2.094990 -1.909842 3.307613 ESP Fit Center 3686 is at 2.251537 -2.313936 3.307613 ESP Fit Center 3687 is at 2.543488 -2.634191 3.307613 ESP Fit Center 3688 is at 2.931414 -2.827355 3.307613 ESP Fit Center 3689 is at 3.362923 -2.867340 3.307613 ESP Fit Center 3690 is at 3.779738 -2.748746 3.307613 ESP Fit Center 3691 is at 2.627226 -0.320457 3.058507 ESP Fit Center 3692 is at 2.265884 -0.552677 3.058507 ESP Fit Center 3693 is at 1.984602 -0.877293 3.058507 ESP Fit Center 3694 is at 1.806170 -1.268006 3.058507 ESP Fit Center 3695 is at 1.745042 -1.693163 3.058507 ESP Fit Center 3696 is at 1.806170 -2.118319 3.058507 ESP Fit Center 3697 is at 1.984602 -2.509032 3.058507 ESP Fit Center 3698 is at 2.265884 -2.833648 3.058507 ESP Fit Center 3699 is at 2.627226 -3.065868 3.058507 ESP Fit Center 3700 is at 3.039356 -3.186881 3.058507 ESP Fit Center 3701 is at 3.468884 -3.186881 3.058507 ESP Fit Center 3702 is at 3.881014 -3.065868 3.058507 ESP Fit Center 3703 is at 4.242356 -2.833648 3.058507 ESP Fit Center 3704 is at 2.741442 0.019300 2.753028 ESP Fit Center 3705 is at 2.360341 -0.145091 2.753028 ESP Fit Center 3706 is at 2.027423 -0.392940 2.753028 ESP Fit Center 3707 is at 1.760636 -0.710883 2.753028 ESP Fit Center 3708 is at 1.574364 -1.081782 2.753028 ESP Fit Center 3709 is at 1.478648 -1.485640 2.753028 ESP Fit Center 3710 is at 1.478648 -1.900686 2.753028 ESP Fit Center 3711 is at 1.574364 -2.304544 2.753028 ESP Fit Center 3712 is at 1.760636 -2.675442 2.753028 ESP Fit Center 3713 is at 2.027423 -2.993386 2.753028 ESP Fit Center 3714 is at 2.360341 -3.241234 2.753028 ESP Fit Center 3715 is at 2.741442 -3.405625 2.753028 ESP Fit Center 3716 is at 3.150183 -3.477697 2.753028 ESP Fit Center 3717 is at 3.564526 -3.453564 2.753028 ESP Fit Center 3718 is at 3.962136 -3.334528 2.753028 ESP Fit Center 3719 is at 4.321576 -3.127005 2.753028 ESP Fit Center 3720 is at 3.044523 0.301019 2.401580 ESP Fit Center 3721 is at 2.634490 0.213863 2.401580 ESP Fit Center 3722 is at 1.292772 -2.110060 2.401580 ESP Fit Center 3723 is at 1.422310 -2.508737 2.401580 ESP Fit Center 3724 is at 1.631907 -2.871769 2.401580 ESP Fit Center 3725 is at 1.912402 -3.183291 2.401580 ESP Fit Center 3726 is at 2.251537 -3.429687 2.401580 ESP Fit Center 3727 is at 2.634490 -3.600189 2.401580 ESP Fit Center 3728 is at 3.044523 -3.687344 2.401580 ESP Fit Center 3729 is at 3.463717 -3.687344 2.401580 ESP Fit Center 3730 is at 3.873750 -3.600189 2.401580 ESP Fit Center 3731 is at 4.256703 -3.429687 2.401580 ESP Fit Center 3732 is at 4.595838 -3.183291 2.401580 ESP Fit Center 3733 is at 1.263631 -2.517650 2.016132 ESP Fit Center 3734 is at 1.462727 -2.890133 2.016132 ESP Fit Center 3735 is at 1.730666 -3.216617 2.016132 ESP Fit Center 3736 is at 2.057150 -3.484555 2.016132 ESP Fit Center 3737 is at 2.429632 -3.683651 2.016132 ESP Fit Center 3738 is at 2.833800 -3.806254 2.016132 ESP Fit Center 3739 is at 3.254120 -3.847652 2.016132 ESP Fit Center 3740 is at 3.674440 -3.806254 2.016132 ESP Fit Center 3741 is at 4.078607 -3.683651 2.016132 ESP Fit Center 3742 is at 4.451090 -3.484555 2.016132 ESP Fit Center 3743 is at 4.777574 -3.216617 2.016132 ESP Fit Center 3744 is at 1.271622 -2.715211 1.609808 ESP Fit Center 3745 is at 1.500872 -3.071932 1.609808 ESP Fit Center 3746 is at 1.793489 -3.378820 1.609808 ESP Fit Center 3747 is at 2.138898 -3.624784 1.609808 ESP Fit Center 3748 is at 2.524613 -3.800935 1.609808 ESP Fit Center 3749 is at 2.936694 -3.900904 1.609808 ESP Fit Center 3750 is at 3.360249 -3.921081 1.609808 ESP Fit Center 3751 is at 3.779967 -3.860734 1.609808 ESP Fit Center 3752 is at 4.180680 -3.722046 1.609808 ESP Fit Center 3753 is at 4.547905 -3.510029 1.609808 ESP Fit Center 3754 is at 4.868368 -3.232346 1.609808 ESP Fit Center 3755 is at 5.130489 -2.899032 1.609808 ESP Fit Center 3756 is at 1.271622 -2.715211 1.196445 ESP Fit Center 3757 is at 1.500872 -3.071932 1.196445 ESP Fit Center 3758 is at 1.793489 -3.378820 1.196445 ESP Fit Center 3759 is at 2.138898 -3.624784 1.196445 ESP Fit Center 3760 is at 2.524613 -3.800935 1.196445 ESP Fit Center 3761 is at 2.936694 -3.900904 1.196445 ESP Fit Center 3762 is at 3.360249 -3.921081 1.196445 ESP Fit Center 3763 is at 3.779967 -3.860734 1.196445 ESP Fit Center 3764 is at 4.180680 -3.722046 1.196445 ESP Fit Center 3765 is at 4.547905 -3.510029 1.196445 ESP Fit Center 3766 is at 4.868368 -3.232346 1.196445 ESP Fit Center 3767 is at 5.130489 -2.899032 1.196445 ESP Fit Center 3768 is at 2.833800 -3.806254 0.790121 ESP Fit Center 3769 is at 3.254120 -3.847652 0.790121 ESP Fit Center 3770 is at 3.997633 -1.311494 3.768665 ESP Fit Center 3771 is at 4.424874 -1.311494 3.720526 ESP Fit Center 3772 is at 4.211254 -0.941493 3.720526 ESP Fit Center 3773 is at 3.784013 -0.941493 3.720526 ESP Fit Center 3774 is at 3.570393 -1.311494 3.720526 ESP Fit Center 3775 is at 3.784013 -1.681494 3.720526 ESP Fit Center 3776 is at 4.211254 -1.681494 3.720526 ESP Fit Center 3777 is at 4.830690 -1.311494 3.578525 ESP Fit Center 3778 is at 4.719082 -0.894965 3.578525 ESP Fit Center 3779 is at 4.414162 -0.590045 3.578525 ESP Fit Center 3780 is at 3.997633 -0.478437 3.578525 ESP Fit Center 3781 is at 3.581105 -0.590045 3.578525 ESP Fit Center 3782 is at 3.276185 -0.894965 3.578525 ESP Fit Center 3783 is at 3.997633 -2.144550 3.578525 ESP Fit Center 3784 is at 4.414162 -2.032942 3.578525 ESP Fit Center 3785 is at 4.719082 -1.728022 3.578525 ESP Fit Center 3786 is at 5.194734 -1.311494 3.349781 ESP Fit Center 3787 is at 5.122540 -0.902061 3.349781 ESP Fit Center 3788 is at 4.914666 -0.542012 3.349781 ESP Fit Center 3789 is at 4.596184 -0.274774 3.349781 ESP Fit Center 3790 is at 4.205508 -0.132580 3.349781 ESP Fit Center 3791 is at 3.789759 -0.132580 3.349781 ESP Fit Center 3792 is at 3.399083 -0.274774 3.349781 ESP Fit Center 3793 is at 3.080601 -0.542012 3.349781 ESP Fit Center 3794 is at 4.205508 -2.490407 3.349781 ESP Fit Center 3795 is at 4.596184 -2.348213 3.349781 ESP Fit Center 3796 is at 4.914666 -2.080975 3.349781 ESP Fit Center 3797 is at 5.122540 -1.720926 3.349781 ESP Fit Center 3798 is at 5.498750 -1.311494 3.045765 ESP Fit Center 3799 is at 5.437944 -0.888580 3.045765 ESP Fit Center 3800 is at 5.260453 -0.499929 3.045765 ESP Fit Center 3801 is at 4.980656 -0.177025 3.045765 ESP Fit Center 3802 is at 4.621220 0.053970 3.045765 ESP Fit Center 3803 is at 4.211265 0.174344 3.045765 ESP Fit Center 3804 is at 3.784002 0.174344 3.045765 ESP Fit Center 3805 is at 3.374047 0.053970 3.045765 ESP Fit Center 3806 is at 3.014611 -0.177025 3.045765 ESP Fit Center 3807 is at 4.621220 -2.676957 3.045765 ESP Fit Center 3808 is at 4.980656 -2.445962 3.045765 ESP Fit Center 3809 is at 5.260453 -2.123058 3.045765 ESP Fit Center 3810 is at 5.437944 -1.734407 3.045765 ESP Fit Center 3811 is at 5.727494 -1.311494 2.681722 ESP Fit Center 3812 is at 5.677227 -0.897511 2.681722 ESP Fit Center 3813 is at 5.529349 -0.507587 2.681722 ESP Fit Center 3814 is at 5.292452 -0.164384 2.681722 ESP Fit Center 3815 is at 4.980306 0.112153 2.681722 ESP Fit Center 3816 is at 4.611050 0.305954 2.681722 ESP Fit Center 3817 is at 4.206145 0.405754 2.681722 ESP Fit Center 3818 is at 3.789122 0.405754 2.681722 ESP Fit Center 3819 is at 3.384217 0.305954 2.681722 ESP Fit Center 3820 is at 4.980306 -2.735141 2.681722 ESP Fit Center 3821 is at 5.292452 -2.458603 2.681722 ESP Fit Center 3822 is at 5.529349 -2.115400 2.681722 ESP Fit Center 3823 is at 5.677227 -1.725476 2.681722 ESP Fit Center 3824 is at 5.869495 -1.311494 2.275905 ESP Fit Center 3825 is at 5.822564 -0.894965 2.275905 ESP Fit Center 3826 is at 5.684122 -0.499323 2.275905 ESP Fit Center 3827 is at 5.461114 -0.144407 2.275905 ESP Fit Center 3828 is at 5.164720 0.151987 2.275905 ESP Fit Center 3829 is at 4.809804 0.374995 2.275905 ESP Fit Center 3830 is at 4.414162 0.513437 2.275905 ESP Fit Center 3831 is at 3.997633 0.560368 2.275905 ESP Fit Center 3832 is at 3.581105 0.513437 2.275905 ESP Fit Center 3833 is at 5.164720 -2.774974 2.275905 ESP Fit Center 3834 is at 5.461114 -2.478580 2.275905 ESP Fit Center 3835 is at 5.684122 -2.123664 2.275905 ESP Fit Center 3836 is at 5.822564 -1.728022 2.275905 ESP Fit Center 3837 is at 5.917633 -1.311494 1.848665 ESP Fit Center 3838 is at 5.872745 -0.898750 1.848665 ESP Fit Center 3839 is at 5.740178 -0.505307 1.848665 ESP Fit Center 3840 is at 5.526132 -0.149559 1.848665 ESP Fit Center 3841 is at 5.240615 0.151858 1.848665 ESP Fit Center 3842 is at 4.896978 0.384850 1.848665 ESP Fit Center 3843 is at 5.240615 -2.774845 1.848665 ESP Fit Center 3844 is at 5.526132 -2.473428 1.848665 ESP Fit Center 3845 is at 5.740178 -2.117681 1.848665 ESP Fit Center 3846 is at 5.872745 -1.724237 1.848665 ESP Fit Center 3847 is at 5.869495 -1.311494 1.421425 ESP Fit Center 3848 is at 5.461114 -2.478580 1.421425 ESP Fit Center 3849 is at 5.684122 -2.123664 1.421425 ESP Fit Center 3850 is at 5.822564 -1.728022 1.421425 ESP Fit Center 3851 is at -5.291756 -3.763358 -1.013768 ESP Fit Center 3852 is at -4.975324 -4.032138 -1.013768 ESP Fit Center 3853 is at -4.608510 -4.226610 -1.013768 ESP Fit Center 3854 is at -4.208466 -4.337682 -1.013768 ESP Fit Center 3855 is at -3.793898 -4.360159 -1.013768 ESP Fit Center 3856 is at -3.384190 -4.292991 -1.013768 ESP Fit Center 3857 is at -2.025983 -2.442975 -1.441008 ESP Fit Center 3858 is at -5.722775 -2.026446 -1.441008 ESP Fit Center 3859 is at -5.769706 -2.442975 -1.441008 ESP Fit Center 3860 is at -5.722775 -2.859503 -1.441008 ESP Fit Center 3861 is at -5.584333 -3.255145 -1.441008 ESP Fit Center 3862 is at -5.361325 -3.610061 -1.441008 ESP Fit Center 3863 is at -5.064931 -3.906455 -1.441008 ESP Fit Center 3864 is at -4.710015 -4.129464 -1.441008 ESP Fit Center 3865 is at -4.314373 -4.267905 -1.441008 ESP Fit Center 3866 is at -3.897844 -4.314836 -1.441008 ESP Fit Center 3867 is at -3.481316 -4.267905 -1.441008 ESP Fit Center 3868 is at -3.085674 -4.129464 -1.441008 ESP Fit Center 3869 is at -2.730758 -3.906455 -1.441008 ESP Fit Center 3870 is at -2.434364 -3.610061 -1.441008 ESP Fit Center 3871 is at -2.211355 -3.255145 -1.441008 ESP Fit Center 3872 is at -2.072914 -2.859503 -1.441008 ESP Fit Center 3873 is at -2.167984 -2.442975 -1.846825 ESP Fit Center 3874 is at -5.577438 -2.028992 -1.846825 ESP Fit Center 3875 is at -5.627705 -2.442975 -1.846825 ESP Fit Center 3876 is at -5.577438 -2.856957 -1.846825 ESP Fit Center 3877 is at -5.429560 -3.246881 -1.846825 ESP Fit Center 3878 is at -5.192663 -3.590084 -1.846825 ESP Fit Center 3879 is at -4.880517 -3.866622 -1.846825 ESP Fit Center 3880 is at -4.511261 -4.060422 -1.846825 ESP Fit Center 3881 is at -4.106356 -4.160222 -1.846825 ESP Fit Center 3882 is at -3.689333 -4.160222 -1.846825 ESP Fit Center 3883 is at -3.284428 -4.060422 -1.846825 ESP Fit Center 3884 is at -2.915172 -3.866622 -1.846825 ESP Fit Center 3885 is at -2.603025 -3.590084 -1.846825 ESP Fit Center 3886 is at -2.366129 -3.246881 -1.846825 ESP Fit Center 3887 is at -2.218251 -2.856957 -1.846825 ESP Fit Center 3888 is at -2.396728 -2.442975 -2.210869 ESP Fit Center 3889 is at -2.457534 -2.020061 -2.210869 ESP Fit Center 3890 is at -5.338155 -2.020061 -2.210869 ESP Fit Center 3891 is at -5.398961 -2.442975 -2.210869 ESP Fit Center 3892 is at -5.338155 -2.865888 -2.210869 ESP Fit Center 3893 is at -5.160664 -3.254539 -2.210869 ESP Fit Center 3894 is at -4.880867 -3.577443 -2.210869 ESP Fit Center 3895 is at -4.521431 -3.808438 -2.210869 ESP Fit Center 3896 is at -4.111476 -3.928812 -2.210869 ESP Fit Center 3897 is at -3.684213 -3.928812 -2.210869 ESP Fit Center 3898 is at -3.274258 -3.808438 -2.210869 ESP Fit Center 3899 is at -2.914822 -3.577443 -2.210869 ESP Fit Center 3900 is at -2.635025 -3.254539 -2.210869 ESP Fit Center 3901 is at -2.457534 -2.865888 -2.210869 ESP Fit Center 3902 is at -2.700744 -2.442975 -2.514885 ESP Fit Center 3903 is at -2.772938 -2.033542 -2.514885 ESP Fit Center 3904 is at -2.980812 -1.673493 -2.514885 ESP Fit Center 3905 is at -4.814877 -1.673493 -2.514885 ESP Fit Center 3906 is at -5.022751 -2.033542 -2.514885 ESP Fit Center 3907 is at -5.094945 -2.442975 -2.514885 ESP Fit Center 3908 is at -5.022751 -2.852407 -2.514885 ESP Fit Center 3909 is at -4.814877 -3.212456 -2.514885 ESP Fit Center 3910 is at -4.496395 -3.479694 -2.514885 ESP Fit Center 3911 is at -4.105719 -3.621888 -2.514885 ESP Fit Center 3912 is at -3.689970 -3.621888 -2.514885 ESP Fit Center 3913 is at -3.299294 -3.479694 -2.514885 ESP Fit Center 3914 is at -2.980812 -3.212456 -2.514885 ESP Fit Center 3915 is at -2.772938 -2.852407 -2.514885 ESP Fit Center 3916 is at -3.064788 -2.442975 -2.743628 ESP Fit Center 3917 is at -3.176396 -2.026446 -2.743628 ESP Fit Center 3918 is at -3.481316 -1.721526 -2.743628 ESP Fit Center 3919 is at -3.897844 -1.609918 -2.743628 ESP Fit Center 3920 is at -4.314373 -1.721526 -2.743628 ESP Fit Center 3921 is at -4.619293 -2.026446 -2.743628 ESP Fit Center 3922 is at -4.730901 -2.442975 -2.743628 ESP Fit Center 3923 is at -4.619293 -2.859503 -2.743628 ESP Fit Center 3924 is at -4.314373 -3.164423 -2.743628 ESP Fit Center 3925 is at -3.897844 -3.276031 -2.743628 ESP Fit Center 3926 is at -3.481316 -3.164423 -2.743628 ESP Fit Center 3927 is at -3.176396 -2.859503 -2.743628 ESP Fit Center 3928 is at -3.470604 -2.442975 -2.885630 ESP Fit Center 3929 is at -3.684224 -2.072974 -2.885630 ESP Fit Center 3930 is at -4.111465 -2.072974 -2.885630 ESP Fit Center 3931 is at -4.325085 -2.442975 -2.885630 ESP Fit Center 3932 is at -4.111465 -2.812976 -2.885630 ESP Fit Center 3933 is at -3.684224 -2.812976 -2.885630 ESP Fit Center 3934 is at -3.897844 -2.442975 -2.933768 ESP Fit Center 3935 is at -2.095501 -0.662715 2.944275 ESP Fit Center 3936 is at -3.296214 -2.227515 2.944275 ESP Fit Center 3937 is at -2.905501 -2.065676 2.944275 ESP Fit Center 3938 is at -2.569988 -1.808228 2.944275 ESP Fit Center 3939 is at -2.312540 -1.472715 2.944275 ESP Fit Center 3940 is at -2.150701 -1.082002 2.944275 ESP Fit Center 3941 is at -2.145297 0.530923 2.708817 ESP Fit Center 3942 is at -4.034598 -2.609119 2.708817 ESP Fit Center 3943 is at -3.608718 -2.632209 2.708817 ESP Fit Center 3944 is at -3.187832 -2.563208 2.708817 ESP Fit Center 3945 is at -2.791618 -2.405342 2.708817 ESP Fit Center 3946 is at -2.438605 -2.165993 2.708817 ESP Fit Center 3947 is at -2.334849 1.165563 2.429378 ESP Fit Center 3948 is at -4.736699 -2.713557 2.429378 ESP Fit Center 3949 is at -4.342470 -2.866282 2.429378 ESP Fit Center 3950 is at -3.926890 -2.943968 2.429378 ESP Fit Center 3951 is at -3.504112 -2.943968 2.429378 ESP Fit Center 3952 is at -3.088532 -2.866282 2.429378 ESP Fit Center 3953 is at -2.694303 -2.713557 2.429378 ESP Fit Center 3954 is at -2.334849 -2.490993 2.429378 ESP Fit Center 3955 is at -2.309590 1.489192 2.110739 ESP Fit Center 3956 is at -2.682957 1.691248 2.110739 ESP Fit Center 3957 is at -3.084489 1.829095 2.110739 ESP Fit Center 3958 is at -5.456430 -2.553867 2.110739 ESP Fit Center 3959 is at -5.121412 -2.814622 2.110739 ESP Fit Center 3960 is at -2.682957 -3.016678 2.110739 ESP Fit Center 3961 is at -2.309590 -2.814622 2.110739 ESP Fit Center 3962 is at -2.312540 1.767285 1.758352 ESP Fit Center 3963 is at -2.690383 1.949245 1.758352 ESP Fit Center 3964 is at -3.091125 2.072857 1.758352 ESP Fit Center 3965 is at -3.505814 2.135362 1.758352 ESP Fit Center 3966 is at -3.925188 2.135362 1.758352 ESP Fit Center 3967 is at -6.243550 -1.880159 1.758352 ESP Fit Center 3968 is at -6.033863 -2.243347 1.758352 ESP Fit Center 3969 is at -5.772388 -2.571227 1.758352 ESP Fit Center 3970 is at -2.312540 -3.092715 1.758352 ESP Fit Center 3971 is at -2.403294 2.027708 1.378247 ESP Fit Center 3972 is at -2.790499 2.184149 1.378247 ESP Fit Center 3973 is at -3.195708 2.285179 1.378247 ESP Fit Center 3974 is at -3.611034 2.328832 1.378247 ESP Fit Center 3975 is at -4.028393 2.314257 1.378247 ESP Fit Center 3976 is at -4.439663 2.241739 1.378247 ESP Fit Center 3977 is at -4.836837 2.112689 1.378247 ESP Fit Center 3978 is at -6.701579 -0.871522 1.378247 ESP Fit Center 3979 is at -6.643458 -1.285071 1.378247 ESP Fit Center 3980 is at -6.528349 -1.686507 1.378247 ESP Fit Center 3981 is at -6.358490 -2.068017 1.378247 ESP Fit Center 3982 is at -6.137188 -2.422173 1.378247 ESP Fit Center 3983 is at -5.868751 -2.742084 1.378247 ESP Fit Center 3984 is at -2.989997 2.381631 0.976926 ESP Fit Center 3985 is at -3.402242 2.451168 0.976926 ESP Fit Center 3986 is at -3.820077 2.465137 0.976926 ESP Fit Center 3987 is at -4.236045 2.423290 0.976926 ESP Fit Center 3988 is at -4.642725 2.326374 0.976926 ESP Fit Center 3989 is at -5.032858 2.176117 0.976926 ESP Fit Center 3990 is at -5.399483 1.975201 0.976926 ESP Fit Center 3991 is at -5.736058 1.727211 0.976926 ESP Fit Center 3992 is at -6.036575 1.436573 0.976926 ESP Fit Center 3993 is at -6.295673 1.108473 0.976926 ESP Fit Center 3994 is at -6.508728 0.748766 0.976926 ESP Fit Center 3995 is at -6.671937 0.363872 0.976926 ESP Fit Center 3996 is at -6.782389 -0.039342 0.976926 ESP Fit Center 3997 is at -6.838112 -0.453680 0.976926 ESP Fit Center 3998 is at -6.838112 -0.871749 0.976926 ESP Fit Center 3999 is at -6.782389 -1.286087 0.976926 ESP Fit Center 4000 is at -6.671937 -1.689301 0.976926 ESP Fit Center 4001 is at -6.508728 -2.074196 0.976926 ESP Fit Center 4002 is at -6.295673 -2.433903 0.976926 ESP Fit Center 4003 is at -3.296214 2.522085 0.561257 ESP Fit Center 4004 is at -3.715501 2.549567 0.561257 ESP Fit Center 4005 is at -4.134788 2.522085 0.561257 ESP Fit Center 4006 is at -4.546901 2.440111 0.561257 ESP Fit Center 4007 is at -4.944788 2.305046 0.561257 ESP Fit Center 4008 is at -5.321642 2.119203 0.561257 ESP Fit Center 4009 is at -5.671014 1.885759 0.561257 ESP Fit Center 4010 is at -5.986927 1.608711 0.561257 ESP Fit Center 4011 is at -6.263975 1.292798 0.561257 ESP Fit Center 4012 is at -6.497418 0.943426 0.561257 ESP Fit Center 4013 is at -6.683262 0.566572 0.561257 ESP Fit Center 4014 is at -6.818327 0.168685 0.561257 ESP Fit Center 4015 is at -6.900301 -0.243428 0.561257 ESP Fit Center 4016 is at -6.927782 -0.662715 0.561257 ESP Fit Center 4017 is at -6.900301 -1.082002 0.561257 ESP Fit Center 4018 is at -6.818327 -1.494114 0.561257 ESP Fit Center 4019 is at -6.683262 -1.892002 0.561257 ESP Fit Center 4020 is at -6.497418 -2.268855 0.561257 ESP Fit Center 4021 is at -3.198397 2.535754 0.138352 ESP Fit Center 4022 is at -3.611654 2.575621 0.138352 ESP Fit Center 4023 is at -4.026616 2.562314 0.138352 ESP Fit Center 4024 is at -4.436469 2.496052 0.138352 ESP Fit Center 4025 is at -4.834484 2.377923 0.138352 ESP Fit Center 4026 is at -5.214125 2.209867 0.138352 ESP Fit Center 4027 is at -5.569159 1.994643 0.138352 ESP Fit Center 4028 is at -5.893756 1.735786 0.138352 ESP Fit Center 4029 is at -6.182586 1.437545 0.138352 ESP Fit Center 4030 is at -6.430907 1.104818 0.138352 ESP Fit Center 4031 is at -6.634640 0.743069 0.138352 ESP Fit Center 4032 is at -6.790442 0.358236 0.138352 ESP Fit Center 4033 is at -6.895753 -0.043361 0.138352 ESP Fit Center 4034 is at -6.948844 -0.455127 0.138352 ESP Fit Center 4035 is at -6.948844 -0.870302 0.138352 ESP Fit Center 4036 is at -6.895753 -1.282069 0.138352 ESP Fit Center 4037 is at -6.790442 -1.683665 0.138352 ESP Fit Center 4038 is at -6.634640 -2.068498 0.138352 ESP Fit Center 4039 is at -6.430907 -2.430248 0.138352 ESP Fit Center 4040 is at -3.296214 2.522085 -0.284553 ESP Fit Center 4041 is at -3.715501 2.549567 -0.284553 ESP Fit Center 4042 is at -4.134788 2.522085 -0.284553 ESP Fit Center 4043 is at -4.546901 2.440111 -0.284553 ESP Fit Center 4044 is at -4.944788 2.305046 -0.284553 ESP Fit Center 4045 is at -5.321642 2.119203 -0.284553 ESP Fit Center 4046 is at -6.263975 1.292798 -0.284553 ESP Fit Center 4047 is at -6.497418 0.943426 -0.284553 ESP Fit Center 4048 is at -6.683262 0.566572 -0.284553 ESP Fit Center 4049 is at -6.818327 0.168685 -0.284553 ESP Fit Center 4050 is at -6.900301 -0.243428 -0.284553 ESP Fit Center 4051 is at -6.927782 -0.662715 -0.284553 ESP Fit Center 4052 is at -6.900301 -1.082002 -0.284553 ESP Fit Center 4053 is at -6.818327 -1.494114 -0.284553 ESP Fit Center 4054 is at -6.683262 -1.892002 -0.284553 ESP Fit Center 4055 is at -6.497418 -2.268855 -0.284553 ESP Fit Center 4056 is at -2.989997 2.381631 -0.700221 ESP Fit Center 4057 is at -3.402242 2.451168 -0.700221 ESP Fit Center 4058 is at -3.820077 2.465137 -0.700221 ESP Fit Center 4059 is at -6.782389 -0.039342 -0.700221 ESP Fit Center 4060 is at -6.838112 -0.453680 -0.700221 ESP Fit Center 4061 is at -6.838112 -0.871749 -0.700221 ESP Fit Center 4062 is at -6.782389 -1.286087 -0.700221 ESP Fit Center 4063 is at -6.671937 -1.689301 -0.700221 ESP Fit Center 4064 is at -6.508728 -2.074196 -0.700221 ESP Fit Center 4065 is at -6.701579 -0.871522 -1.101542 ESP Fit Center 4066 is at -6.643458 -1.285071 -1.101542 ESP Fit Center 4067 is at -6.528349 -1.686507 -1.101542 ESP Fit Center 4068 is at -6.358490 -2.068017 -1.101542 ESP Fit Center 4069 is at -6.396764 -1.489775 -1.481648 ESP Fit Center 4070 is at -6.243550 -1.880159 -1.481648 ESP Fit Center 4071 is at -6.033863 -2.243347 -1.481648 ESP Fit Center 4072 is at -5.976157 -1.886121 -1.834035 ESP Fit Center 4073 is at -5.663371 -1.868784 -2.152674 ESP Fit Center 4074 is at -2.022412 -2.206169 -2.152674 ESP Fit Center 4075 is at -2.145297 -1.856352 -2.432113 ESP Fit Center 4076 is at -2.569988 -1.808228 -2.667570 ESP Fit Center 4077 is at -2.312540 -1.472715 -2.667570 ESP Fit Center 4078 is at -2.765687 -1.459703 -2.855017 ESP Fit Center 4079 is at -2.550382 -1.086784 -2.855017 ESP Fit Center 4080 is at -3.296214 -1.388941 -2.991247 ESP Fit Center 4081 is at -2.989275 -1.082002 -2.991247 ESP Fit Center 4082 is at -4.204328 -0.359090 4.019842 ESP Fit Center 4083 is at -3.789550 -0.359090 3.985473 ESP Fit Center 4084 is at -3.996939 0.000119 3.985473 ESP Fit Center 4085 is at -4.411717 0.000119 3.985473 ESP Fit Center 4086 is at -4.619106 -0.359090 3.985473 ESP Fit Center 4087 is at -4.411717 -0.718298 3.985473 ESP Fit Center 4088 is at -3.996939 -0.718298 3.985473 ESP Fit Center 4089 is at -3.386085 -0.359090 3.883302 ESP Fit Center 4090 is at -3.495709 0.050032 3.883302 ESP Fit Center 4091 is at -3.795207 0.349529 3.883302 ESP Fit Center 4092 is at -4.204328 0.459153 3.883302 ESP Fit Center 4093 is at -4.613449 0.349529 3.883302 ESP Fit Center 4094 is at 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2.803093 -1.953137 ESP Fit Center 4638 is at -2.625105 2.682538 -1.953137 ESP Fit Center 4639 is at -2.991365 2.486768 -1.953137 ESP Fit Center 4640 is at -3.312395 2.223306 -1.953137 ESP Fit Center 4641 is at -2.022987 2.709951 -2.358338 ESP Fit Center 4642 is at -2.431060 2.623212 -2.358338 ESP Fit Center 4643 is at -2.812182 2.453526 -2.358338 ESP Fit Center 4644 is at -3.149696 2.208308 -2.358338 ESP Fit Center 4645 is at -1.502524 2.493992 -2.731773 ESP Fit Center 4646 is at -1.918819 2.518239 -2.731773 ESP Fit Center 4647 is at -2.329483 2.445827 -2.731773 ESP Fit Center 4648 is at -2.712379 2.280662 -2.731773 ESP Fit Center 4649 is at -3.046864 2.031647 -2.731773 ESP Fit Center 4650 is at -3.314907 1.712207 -2.731773 ESP Fit Center 4651 is at -1.503643 2.220708 -3.059092 ESP Fit Center 4652 is at -1.918622 2.249093 -3.059092 ESP Fit Center 4653 is at -2.325871 2.164466 -3.059092 ESP Fit Center 4654 is at -2.695185 1.973102 -3.059092 ESP Fit Center 4655 is at -2.999175 1.689195 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ESP Fit Center 4692 is at -0.590178 0.529949 -3.430076 ESP Fit Center 4693 is at -0.031910 -2.053323 -1.692333 ESP Fit Center 4694 is at -0.136156 -1.969357 -2.113728 ESP Fit Center 4695 is at -0.323233 -1.740344 -2.518929 ESP Fit Center 4696 is at 0.057889 -1.910031 -2.518929 ESP Fit Center 4697 is at 0.465962 -1.996769 -2.518929 ESP Fit Center 4698 is at 2.422121 0.402059 -2.892365 ESP Fit Center 4699 is at 2.279499 0.793910 -2.892365 ESP Fit Center 4700 is at 2.050353 1.142308 -2.892365 ESP Fit Center 4701 is at -0.557915 -1.318466 -2.892365 ESP Fit Center 4702 is at -0.223430 -1.567481 -2.892365 ESP Fit Center 4703 is at 0.159466 -1.732646 -2.892365 ESP Fit Center 4704 is at 0.570131 -1.805057 -2.892365 ESP Fit Center 4705 is at 2.201908 -0.012122 -3.219683 ESP Fit Center 4706 is at 2.145270 0.399953 -3.219683 ESP Fit Center 4707 is at 1.979555 0.781465 -3.219683 ESP Fit Center 4708 is at 1.717055 1.104121 -3.219683 ESP Fit Center 4709 is at -0.510226 -0.976014 -3.219683 ESP Fit Center 4710 is at -0.206236 -1.259921 -3.219683 ESP Fit Center 4711 is at 0.163079 -1.451284 -3.219683 ESP Fit Center 4712 is at 0.570327 -1.535912 -3.219683 ESP Fit Center 4713 is at 0.985306 -1.507526 -3.219683 ESP Fit Center 4714 is at 1.377238 -1.368234 -3.219683 ESP Fit Center 4715 is at 1.717055 -1.128364 -3.219683 ESP Fit Center 4716 is at 1.979555 -0.805708 -3.219683 ESP Fit Center 4717 is at 2.145270 -0.424196 -3.219683 ESP Fit Center 4718 is at 1.874589 -0.012122 -3.488307 ESP Fit Center 4719 is at 1.802218 0.398313 -3.488307 ESP Fit Center 4720 is at 1.593835 0.759244 -3.488307 ESP Fit Center 4721 is at 1.274573 1.027136 -3.488307 ESP Fit Center 4722 is at -0.453104 0.398313 -3.488307 ESP Fit Center 4723 is at -0.525474 -0.012122 -3.488307 ESP Fit Center 4724 is at -0.453104 -0.422557 -3.488307 ESP Fit Center 4725 is at -0.244720 -0.783487 -3.488307 ESP Fit Center 4726 is at 0.074541 -1.051380 -3.488307 ESP Fit Center 4727 is at 0.466174 -1.193922 -3.488307 ESP Fit Center 4728 is at 0.882941 -1.193922 -3.488307 ESP Fit Center 4729 is at 1.274573 -1.051380 -3.488307 ESP Fit Center 4730 is at 1.593835 -0.783487 -3.488307 ESP Fit Center 4731 is at 1.802218 -0.422557 -3.488307 ESP Fit Center 4732 is at 1.501154 -0.012122 -3.687913 ESP Fit Center 4733 is at 1.390411 0.401176 -3.687913 ESP Fit Center 4734 is at 1.087855 0.703732 -3.687913 ESP Fit Center 4735 is at 0.674557 0.814475 -3.687913 ESP Fit Center 4736 is at 0.261259 0.703732 -3.687913 ESP Fit Center 4737 is at -0.041296 0.401176 -3.687913 ESP Fit Center 4738 is at -0.152039 -0.012122 -3.687913 ESP Fit Center 4739 is at -0.041296 -0.425420 -3.687913 ESP Fit Center 4740 is at 0.261259 -0.727975 -3.687913 ESP Fit Center 4741 is at 0.674557 -0.838718 -3.687913 ESP Fit Center 4742 is at 1.087855 -0.727975 -3.687913 ESP Fit Center 4743 is at 1.390411 -0.425420 -3.687913 ESP Fit Center 4744 is at 1.095952 -0.012122 -3.810829 ESP Fit Center 4745 is at 0.885255 0.352817 -3.810829 ESP Fit Center 4746 is at 0.463860 0.352817 -3.810829 ESP Fit Center 4747 is at 0.253162 -0.012122 -3.810829 ESP Fit Center 4748 is at 0.463860 -0.377060 -3.810829 ESP Fit Center 4749 is at 0.885255 -0.377060 -3.810829 ESP Fit Center 4750 is at 0.674557 -0.012122 -3.852333 ESP Fit Center 4751 is at 2.705911 1.925571 -2.146610 ESP Fit Center 4752 is at 2.666617 2.349619 -2.146610 ESP Fit Center 4753 is at -1.563926 3.140444 -2.146610 ESP Fit Center 4754 is at 2.666617 1.501523 -2.146610 ESP Fit Center 4755 is at 2.507821 1.925571 -2.512647 ESP Fit Center 4756 is at 2.464637 2.350242 -2.512647 ESP Fit Center 4757 is at 2.336850 2.757527 -2.512647 ESP Fit Center 4758 is at 2.129693 3.130752 -2.512647 ESP Fit Center 4759 is at 1.851648 3.454637 -2.512647 ESP Fit Center 4760 is at 1.514096 3.715921 -2.512647 ESP Fit Center 4761 is at 1.130858 3.903909 -2.512647 ESP Fit Center 4762 is at -0.893173 3.593838 -2.512647 ESP Fit Center 4763 is at -1.202559 3.299745 -2.512647 ESP Fit Center 4764 is at -1.446412 2.949393 -2.512647 ESP Fit Center 4765 is at 2.464637 1.500899 -2.512647 ESP Fit Center 4766 is at 2.252186 1.925571 -2.841087 ESP Fit Center 4767 is at 2.202211 2.353138 -2.841087 ESP Fit Center 4768 is at 2.054979 2.757655 -2.841087 ESP Fit Center 4769 is at 1.818427 3.117315 -2.841087 ESP Fit Center 4770 is at 1.505308 3.412727 -2.841087 ESP Fit Center 4771 is at 1.132503 3.627966 -2.841087 ESP Fit Center 4772 is at 0.720110 3.751428 -2.841087 ESP Fit Center 4773 is at 0.290360 3.776458 -2.841087 ESP Fit Center 4774 is at -0.133578 3.701707 -2.841087 ESP Fit Center 4775 is at -0.528850 3.531203 -2.841087 ESP Fit Center 4776 is at -0.874147 3.274139 -2.841087 ESP Fit Center 4777 is at -1.150853 2.944374 -2.841087 ESP Fit Center 4778 is at -1.344051 2.559684 -2.841087 ESP Fit Center 4779 is at 2.202211 1.498003 -2.841087 ESP Fit Center 4780 is at 1.945978 1.925571 -3.122972 ESP Fit Center 4781 is at 1.888581 2.343167 -3.122972 ESP Fit Center 4782 is at 1.720646 2.729791 -3.122972 ESP Fit Center 4783 is at 1.454629 3.056770 -3.122972 ESP Fit Center 4784 is at 1.110258 3.299854 -3.122972 ESP Fit Center 4785 is at 0.713074 3.441013 -3.122972 ESP Fit Center 4786 is at 0.292535 3.469779 -3.122972 ESP Fit Center 4787 is at -0.120170 3.384017 -3.122972 ESP Fit Center 4788 is at -0.494433 3.190090 -3.122972 ESP Fit Center 4789 is at -0.802496 2.902379 -3.122972 ESP Fit Center 4790 is at -1.021512 2.542222 -3.122972 ESP Fit Center 4791 is at -1.135238 2.136332 -3.122972 ESP Fit Center 4792 is at 1.888581 1.507975 -3.122972 ESP Fit Center 4793 is at 1.597549 1.925571 -3.350611 ESP Fit Center 4794 is at 1.525217 2.335785 -3.350611 ESP Fit Center 4795 is at 1.316946 2.696522 -3.350611 ESP Fit Center 4796 is at 0.997856 2.964271 -3.350611 ESP Fit Center 4797 is at 0.606433 3.106737 -3.350611 ESP Fit Center 4798 is at 0.189890 3.106737 -3.350611 ESP Fit Center 4799 is at -0.201532 2.964271 -3.350611 ESP Fit Center 4800 is at -0.520622 2.696522 -3.350611 ESP Fit Center 4801 is at -0.728894 2.335785 -3.350611 ESP Fit Center 4802 is at -0.801225 1.925571 -3.350611 ESP Fit Center 4803 is at -0.728894 1.515356 -3.350611 ESP Fit Center 4804 is at 1.525217 1.515356 -3.350611 ESP Fit Center 4805 is at 1.216405 1.925571 -3.517797 ESP Fit Center 4806 is at 1.106781 2.334692 -3.517797 ESP Fit Center 4807 is at 0.807283 2.634190 -3.517797 ESP Fit Center 4808 is at 0.398162 2.743813 -3.517797 ESP Fit Center 4809 is at -0.010959 2.634190 -3.517797 ESP Fit Center 4810 is at -0.310457 2.334692 -3.517797 ESP Fit Center 4811 is at -0.420081 1.925571 -3.517797 ESP Fit Center 4812 is at -0.310457 1.516450 -3.517797 ESP Fit Center 4813 is at -0.010959 1.216952 -3.517797 ESP Fit Center 4814 is at 0.807283 1.216952 -3.517797 ESP Fit Center 4815 is at 1.106781 1.516450 -3.517797 ESP Fit Center 4816 is at 0.812940 1.925571 -3.619968 ESP Fit Center 4817 is at 0.605551 2.284779 -3.619968 ESP Fit Center 4818 is at 0.190773 2.284779 -3.619968 ESP Fit Center 4819 is at -0.016616 1.925571 -3.619968 ESP Fit Center 4820 is at 0.190773 1.566362 -3.619968 ESP Fit Center 4821 is at 0.605551 1.566362 -3.619968 ESP Fit Center 4822 is at 0.398162 1.925571 -3.654338 ESP Fit Center 4823 is at 2.394819 4.136735 1.601121 ESP Fit Center 4824 is at 1.642299 4.349483 -1.895088 ESP Fit Center 4825 is at 1.607444 4.003764 -2.170246 ESP Fit Center 4826 is at 2.745267 3.756301 1.636348 ESP Fit Center 4827 is at 3.353340 2.984935 1.367724 ESP Fit Center 4828 is at 3.296701 3.397010 1.367724 ESP Fit Center 4829 is at 3.130987 3.778522 1.367724 ESP Fit Center 4830 is at 2.868487 4.101178 1.367724 ESP Fit Center 4831 is at 2.528670 4.341047 1.367724 ESP Fit Center 4832 is at 3.621963 2.984935 1.040405 ESP Fit Center 4833 is at 3.573553 3.399116 1.040405 ESP Fit Center 4834 is at 3.430930 3.790967 1.040405 ESP Fit Center 4835 is at 3.201785 4.139365 1.040405 ESP Fit Center 4836 is at 2.898471 4.425528 1.040405 ESP Fit Center 4837 is at 2.537338 4.634028 1.040405 ESP Fit Center 4838 is at 3.573553 2.570755 1.040405 ESP Fit Center 4839 is at 3.821569 2.984935 0.666970 ESP Fit Center 4840 is at 3.777961 3.399840 0.666970 ESP Fit Center 4841 is at 3.649042 3.796611 0.666970 ESP Fit Center 4842 is at 3.440447 4.157908 0.666970 ESP Fit Center 4843 is at 3.161293 4.467940 0.666970 ESP Fit Center 4844 is at 2.823779 4.713158 0.666970 ESP Fit Center 4845 is at 2.442657 4.882845 0.666970 ESP Fit Center 4846 is at 3.777961 2.570031 0.666970 ESP Fit Center 4847 is at 3.944485 2.984935 0.261769 ESP Fit Center 4848 is at 3.903779 3.398233 0.261769 ESP Fit Center 4849 is at 3.783224 3.795649 0.261769 ESP Fit Center 4850 is at 3.587454 4.161909 0.261769 ESP Fit Center 4851 is at 3.323992 4.482938 0.261769 ESP Fit Center 4852 is at 3.002963 4.746401 0.261769 ESP Fit Center 4853 is at 2.636702 4.942171 0.261769 ESP Fit Center 4854 is at 3.903779 2.571637 0.261769 ESP Fit Center 4855 is at 3.985989 2.984935 -0.159627 ESP Fit Center 4856 is at 3.946955 3.393718 -0.159627 ESP Fit Center 4857 is at 3.831264 3.787726 -0.159627 ESP Fit Center 4858 is at 3.643097 4.152720 -0.159627 ESP Fit Center 4859 is at 3.389255 4.475506 -0.159627 ESP Fit Center 4860 is at 3.078912 4.744419 -0.159627 ESP Fit Center 4861 is at 2.723286 4.949740 -0.159627 ESP Fit Center 4862 is at 2.335228 5.084048 -0.159627 ESP Fit Center 4863 is at 3.946955 2.576153 -0.159627 ESP Fit Center 4864 is at 3.944485 2.984935 -0.581022 ESP Fit Center 4865 is at 3.903779 3.398233 -0.581022 ESP Fit Center 4866 is at 3.783224 3.795649 -0.581022 ESP Fit Center 4867 is at 3.587454 4.161909 -0.581022 ESP Fit Center 4868 is at 3.323992 4.482938 -0.581022 ESP Fit Center 4869 is at 3.002963 4.746401 -0.581022 ESP Fit Center 4870 is at 2.636702 4.942171 -0.581022 ESP Fit Center 4871 is at 2.239287 5.062725 -0.581022 ESP Fit Center 4872 is at 3.903779 2.571637 -0.581022 ESP Fit Center 4873 is at 3.821569 2.984935 -0.986223 ESP Fit Center 4874 is at 3.777961 3.399840 -0.986223 ESP Fit Center 4875 is at 3.649042 3.796611 -0.986223 ESP Fit Center 4876 is at 3.440447 4.157908 -0.986223 ESP Fit Center 4877 is at 3.161293 4.467940 -0.986223 ESP Fit Center 4878 is at 2.823779 4.713158 -0.986223 ESP Fit Center 4879 is at 2.442657 4.882845 -0.986223 ESP Fit Center 4880 is at 2.034584 4.969583 -0.986223 ESP Fit Center 4881 is at 3.777961 2.570031 -0.986223 ESP Fit Center 4882 is at 3.621963 2.984935 -1.359658 ESP Fit Center 4883 is at 3.573553 3.399116 -1.359658 ESP Fit Center 4884 is at 3.430930 3.790967 -1.359658 ESP Fit Center 4885 is at 3.201785 4.139365 -1.359658 ESP Fit Center 4886 is at 2.898471 4.425528 -1.359658 ESP Fit Center 4887 is at 2.537338 4.634028 -1.359658 ESP Fit Center 4888 is at 2.137857 4.753625 -1.359658 ESP Fit Center 4889 is at 3.430930 2.178904 -1.359658 ESP Fit Center 4890 is at 3.573553 2.570755 -1.359658 ESP Fit Center 4891 is at 3.353340 2.984935 -1.686977 ESP Fit Center 4892 is at 3.296701 3.397010 -1.686977 ESP Fit Center 4893 is at 3.130987 3.778522 -1.686977 ESP Fit Center 4894 is at 2.868487 4.101178 -1.686977 ESP Fit Center 4895 is at 2.528670 4.341047 -1.686977 ESP Fit Center 4896 is at 2.136738 4.480340 -1.686977 ESP Fit Center 4897 is at 3.130987 2.191348 -1.686977 ESP Fit Center 4898 is at 3.296701 2.572861 -1.686977 ESP Fit Center 4899 is at 3.026021 2.984935 -1.955601 ESP Fit Center 4900 is at 2.953650 3.395370 -1.955601 ESP Fit Center 4901 is at 2.745267 3.756301 -1.955601 ESP Fit Center 4902 is at 2.426005 4.024193 -1.955601 ESP Fit Center 4903 is at 2.034372 4.166736 -1.955601 ESP Fit Center 4904 is at 2.953650 2.574500 -1.955601 ESP Fit Center 4905 is at 2.652585 2.984935 -2.155206 ESP Fit Center 4906 is at 2.541842 3.398233 -2.155206 ESP Fit Center 4907 is at 2.239287 3.700789 -2.155206 ESP Fit Center 4908 is at -0.828072 3.402604 2.812876 ESP Fit Center 4909 is at -1.331282 3.819777 2.650741 ESP Fit Center 4910 is at -1.257358 3.400538 2.650741 ESP Fit Center 4911 is at -1.638451 4.230528 2.429369 ESP Fit Center 4912 is at -1.598171 5.010137 2.154211 ESP Fit Center 4913 is at -1.825627 4.648143 2.154211 ESP Fit Center 4914 is at -1.535950 5.470596 1.832043 ESP Fit Center 4915 is at -1.822519 5.170050 1.832043 ESP Fit Center 4916 is at -2.047031 4.820703 1.832043 ESP Fit Center 4917 is at -1.308366 5.903190 1.470797 ESP Fit Center 4918 is at -1.651873 5.662664 1.470797 ESP Fit Center 4919 is at -1.948394 5.366143 1.470797 ESP Fit Center 4920 is at -1.137002 6.171348 1.079369 ESP Fit Center 4921 is at -1.509990 5.969497 1.079369 ESP Fit Center 4922 is at -1.844667 5.709008 1.079369 ESP Fit Center 4923 is at -2.131904 5.396985 1.079369 ESP Fit Center 4924 is at 2.270592 5.030460 0.667396 ESP Fit Center 4925 is at -0.105507 6.486536 0.667396 ESP Fit Center 4926 is at -0.522680 6.453704 0.667396 ESP Fit Center 4927 is at -0.929581 6.356015 0.667396 ESP Fit Center 4928 is at -1.316190 6.195877 0.667396 ESP Fit Center 4929 is at -1.672989 5.977230 0.667396 ESP Fit Center 4930 is at -1.991190 5.705460 0.667396 ESP Fit Center 4931 is at -2.262960 5.387259 0.667396 ESP Fit Center 4932 is at 2.102902 5.373138 0.245023 ESP Fit Center 4933 is at 1.839901 5.692045 0.245023 ESP Fit Center 4934 is at 1.531301 5.967068 0.245023 ESP Fit Center 4935 is at 1.184336 6.191760 0.245023 ESP Fit Center 4936 is at 0.807138 6.360856 0.245023 ESP Fit Center 4937 is at 0.408549 6.470390 0.245023 ESP Fit Center 4938 is at -0.002090 6.517796 0.245023 ESP Fit Center 4939 is at -0.415153 6.501963 0.245023 ESP Fit Center 4940 is at -0.820957 6.423262 0.245023 ESP Fit Center 4941 is at -1.209993 6.283537 0.245023 ESP Fit Center 4942 is at -1.573140 6.086064 0.245023 ESP Fit Center 4943 is at -1.901887 5.835471 0.245023 ESP Fit Center 4944 is at -2.188528 5.537632 0.245023 ESP Fit Center 4945 is at 2.051946 5.387259 -0.177350 ESP Fit Center 4946 is at 1.780176 5.705460 -0.177350 ESP Fit Center 4947 is at 1.461974 5.977230 -0.177350 ESP Fit Center 4948 is at -1.672989 5.977230 -0.177350 ESP Fit Center 4949 is at -1.991190 5.705460 -0.177350 ESP Fit Center 4950 is at -2.262960 5.387259 -0.177350 ESP Fit Center 4951 is at 1.920889 5.396985 -0.589323 ESP Fit Center 4952 is at -2.131904 5.396985 -0.589323 ESP Fit Center 4953 is at -2.363866 5.041940 -0.589323 ESP Fit Center 4954 is at 1.977905 5.022636 -0.980751 ESP Fit Center 4955 is at -2.188920 5.022636 -0.980751 ESP Fit Center 4956 is at -2.366142 4.642581 -0.980751 ESP Fit Center 4957 is at -2.201372 4.435179 -1.341997 ESP Fit Center 4958 is at -2.279962 4.027413 -1.341997 ESP Fit Center 4959 is at -2.014696 3.819777 -1.664165 ESP Fit Center 4960 is at -1.966828 3.394943 -1.664165 ESP Fit Center 4961 is at -1.825627 2.991412 -1.664165 ESP Fit Center 4962 is at -1.692527 3.819777 -1.939323 ESP Fit Center 4963 is at -1.638451 3.409026 -1.939323 ESP Fit Center 4964 is at 0.808641 -0.581371 3.099682 ESP Fit Center 4965 is at 1.230036 -0.581371 3.058178 ESP Fit Center 4966 is at 0.387246 -0.581371 3.058178 ESP Fit Center 4967 is at 0.597944 -0.946310 3.058178 ESP Fit Center 4968 is at 1.019339 -0.946310 3.058178 ESP Fit Center 4969 is at -0.017955 -0.581371 2.935262 ESP Fit Center 4970 is at 0.092788 -0.994669 2.935262 ESP Fit Center 4971 is at 0.395343 -1.297224 2.935262 ESP Fit Center 4972 is at 0.808641 -1.407967 2.935262 ESP Fit Center 4973 is at 1.221939 -1.297224 2.935262 ESP Fit Center 4974 is at -0.110637 -1.352736 2.735656 ESP Fit Center 4975 is at 0.208625 -1.620629 2.735656 ESP Fit Center 4976 is at 0.600258 -1.763171 2.735656 ESP Fit Center 4977 is at 1.017024 -1.763171 2.735656 ESP Fit Center 4978 is at -0.072152 -1.829170 2.467032 ESP Fit Center 4979 is at 0.297162 -2.020534 2.467032 ESP Fit Center 4980 is at 0.704411 -2.105161 2.467032 ESP Fit Center 4981 is at 0.293550 -2.301896 2.139713 ESP Fit Center 4982 is at 0.704214 -2.374307 2.139713 ESP Fit Center 4983 is at 0.191973 -2.479280 1.766278 ESP Fit Center 4984 is at 0.600046 -2.566019 1.766278 ESP Fit Center 4985 is at 0.395343 -2.659161 1.361077 ESP Fit Center 4986 is at 0.808641 -2.699867 1.361077 ESP Fit Center 4987 is at 0.102174 -2.622573 0.939682 ESP Fit Center 4988 is at 0.501241 -2.719385 0.939682 ESP Fit Center 4989 is at 0.395343 -2.659161 0.518287 ESP Fit Center 4990 is at 0.191973 -2.479280 0.113086 ESP Fit Center 4991 is at 0.615724 1.967140 3.817595 ESP Fit Center 4992 is at 0.404537 1.601354 3.817595 ESP Fit Center 4993 is at 0.615724 1.235568 3.817595 ESP Fit Center 4994 is at 0.409737 2.323919 3.718689 ESP Fit Center 4995 is at 0.409737 0.878790 3.718689 ESP Fit Center 4996 is at 0.826910 0.767008 3.718689 ESP Fit Center 4997 is at 0.614057 2.808506 3.556554 ESP Fit Center 4998 is at 0.214023 2.662906 3.556554 ESP Fit Center 4999 is at 0.214023 0.539803 3.556554 ESP Fit Center 5000 is at 0.614057 0.394202 3.556554 ESP Fit Center 5001 is at 1.039764 0.394202 3.556554 ESP Fit Center 5002 is at 0.416159 3.134298 3.335182 ESP Fit Center 5003 is at 0.033400 2.975754 3.335182 ESP Fit Center 5004 is at 0.033400 0.226954 3.335182 ESP Fit Center 5005 is at 0.416159 0.068411 3.335182 ESP Fit Center 5006 is at 0.826910 0.014334 3.335182 ESP Fit Center 5007 is at 1.237661 0.068411 3.335182 ESP Fit Center 5008 is at 0.826910 3.510543 3.060024 ESP Fit Center 5009 is at 0.402076 3.462675 3.060024 ESP Fit Center 5010 is at -0.001456 3.321474 3.060024 ESP Fit Center 5011 is at -0.001456 -0.118765 3.060024 ESP Fit Center 5012 is at 0.402076 -0.259967 3.060024 ESP Fit Center 5013 is at 1.251745 -0.259967 3.060024 ESP Fit Center 5014 is at 1.655276 -0.118765 3.060024 ESP Fit Center 5015 is at -0.139779 1.559324 3.801535 ESP Fit Center 5016 is at 0.070919 1.924262 3.760031 ESP Fit Center 5017 is at -0.350476 1.924262 3.760031 ESP Fit Center 5018 is at -0.561174 1.559324 3.760031 ESP Fit Center 5019 is at -0.350476 1.194385 3.760031 ESP Fit Center 5020 is at 0.070919 1.194385 3.760031 ESP Fit Center 5021 is at -0.139779 2.385920 3.637115 ESP Fit Center 5022 is at -0.553077 2.275177 3.637115 ESP Fit Center 5023 is at -0.855632 1.972622 3.637115 ESP Fit Center 5024 is at -0.966375 1.559324 3.637115 ESP Fit Center 5025 is at -0.855632 1.146025 3.637115 ESP Fit Center 5026 is at -0.553077 0.843470 3.637115 ESP Fit Center 5027 is at -0.139779 0.732727 3.637115 ESP Fit Center 5028 is at -0.348162 2.741124 3.437509 ESP Fit Center 5029 is at -0.739795 2.598582 3.437509 ESP Fit Center 5030 is at -1.059057 2.330689 3.437509 ESP Fit Center 5031 is at -1.267440 1.969759 3.437509 ESP Fit Center 5032 is at -1.339811 1.559324 3.437509 ESP Fit Center 5033 is at -1.267440 1.148889 3.437509 ESP Fit Center 5034 is at -1.059057 0.787958 3.437509 ESP Fit Center 5035 is at -0.739795 0.520066 3.437509 ESP Fit Center 5036 is at -0.348162 0.377523 3.437509 ESP Fit Center 5037 is at 0.068604 0.377523 3.437509 ESP Fit Center 5038 is at -0.244009 3.083114 3.168886 ESP Fit Center 5039 is at -0.651257 2.998486 3.168886 ESP Fit Center 5040 is at -1.020572 2.807123 3.168886 ESP Fit Center 5041 is at -1.324562 2.523216 3.168886 ESP Fit Center 5042 is at -1.540682 2.167822 3.168886 ESP Fit Center 5043 is at -1.652904 1.767298 3.168886 ESP Fit Center 5044 is at -1.652904 1.351349 3.168886 ESP Fit Center 5045 is at -1.540682 0.950825 3.168886 ESP Fit Center 5046 is at -1.324562 0.595431 3.168886 ESP Fit Center 5047 is at -1.020572 0.311524 3.168886 ESP Fit Center 5048 is at -0.651257 0.120161 3.168886 ESP Fit Center 5049 is at -0.244009 0.035534 3.168886 ESP Fit Center 5050 is at -0.654870 3.279848 2.841567 ESP Fit Center 5051 is at -1.037766 3.114683 2.841567 ESP Fit Center 5052 is at -1.372251 2.865668 2.841567 ESP Fit Center 5053 is at -1.640294 2.546228 2.841567 ESP Fit Center 5054 is at -1.827443 2.173583 2.841567 ESP Fit Center 5055 is at -1.923610 1.767824 2.841567 ESP Fit Center 5056 is at -1.923610 1.350824 2.841567 ESP Fit Center 5057 is at -1.827443 0.945064 2.841567 ESP Fit Center 5058 is at -1.640294 0.572420 2.841567 ESP Fit Center 5059 is at -1.372251 0.252979 2.841567 ESP Fit Center 5060 is at -1.037766 0.003964 2.841567 ESP Fit Center 5061 is at -0.654870 -0.161201 2.841567 ESP Fit Center 5062 is at -0.244206 -0.233612 2.841567 ESP Fit Center 5063 is at -1.754237 2.732296 2.468131 ESP Fit Center 5064 is at -1.962832 2.370999 2.468131 ESP Fit Center 5065 is at -2.091750 1.974228 2.468131 ESP Fit Center 5066 is at -2.135359 1.559324 2.468131 ESP Fit Center 5067 is at -2.091750 1.144419 2.468131 ESP Fit Center 5068 is at -2.097014 2.370037 2.062930 ESP Fit Center 5069 is at -2.217569 1.972622 2.062930 ESP Fit Center 5070 is at -2.258275 1.559324 2.062930 ESP Fit Center 5071 is at 1.593883 1.800853 4.049789 ESP Fit Center 5072 is at 2.015278 1.800853 4.008285 ESP Fit Center 5073 is at 1.804581 2.165792 4.008285 ESP Fit Center 5074 is at 1.383186 2.165792 4.008285 ESP Fit Center 5075 is at 1.172488 1.800853 4.008285 ESP Fit Center 5076 is at 1.383186 1.435914 4.008285 ESP Fit Center 5077 is at 1.804581 1.435914 4.008285 ESP Fit Center 5078 is at 2.420479 1.800853 3.885369 ESP Fit Center 5079 is at 2.309736 2.214151 3.885369 ESP Fit Center 5080 is at 2.007181 2.516706 3.885369 ESP Fit Center 5081 is at 1.593883 2.627449 3.885369 ESP Fit Center 5082 is at 1.180585 2.516706 3.885369 ESP Fit Center 5083 is at 0.878030 2.214151 3.885369 ESP Fit Center 5084 is at 0.767287 1.800853 3.885369 ESP Fit Center 5085 is at 0.878030 1.387555 3.885369 ESP Fit Center 5086 is at 1.180585 1.085000 3.885369 ESP Fit Center 5087 is at 1.593883 0.974257 3.885369 ESP Fit Center 5088 is at 2.007181 1.085000 3.885369 ESP Fit Center 5089 is at 2.309736 1.387555 3.885369 ESP Fit Center 5090 is at 2.793915 1.800853 3.685763 ESP Fit Center 5091 is at 2.721544 2.211288 3.685763 ESP Fit Center 5092 is at 2.513161 2.572218 3.685763 ESP Fit Center 5093 is at 2.193899 2.840111 3.685763 ESP Fit Center 5094 is at 1.802266 2.982653 3.685763 ESP Fit Center 5095 is at 1.385500 2.982653 3.685763 ESP Fit Center 5096 is at 0.993867 2.840111 3.685763 ESP Fit Center 5097 is at 0.674605 2.572218 3.685763 ESP Fit Center 5098 is at 1.385500 0.619052 3.685763 ESP Fit Center 5099 is at 1.802266 0.619052 3.685763 ESP Fit Center 5100 is at 2.193899 0.761595 3.685763 ESP Fit Center 5101 is at 2.513161 1.029487 3.685763 ESP Fit Center 5102 is at 2.721544 1.390418 3.685763 ESP Fit Center 5103 is at 3.121234 1.800853 3.417139 ESP Fit Center 5104 is at 3.064595 2.212927 3.417139 ESP Fit Center 5105 is at 2.898881 2.594440 3.417139 ESP Fit Center 5106 is at 2.636381 2.917096 3.417139 ESP Fit Center 5107 is at 2.296564 3.156965 3.417139 ESP Fit Center 5108 is at 1.904632 3.296258 3.417139 ESP Fit Center 5109 is at 1.489653 3.324643 3.417139 ESP Fit Center 5110 is at 1.082404 3.240016 3.417139 ESP Fit Center 5111 is at 1.489653 0.277063 3.417139 ESP Fit Center 5112 is at 1.904632 0.305448 3.417139 ESP Fit Center 5113 is at 2.296564 0.444741 3.417139 ESP Fit Center 5114 is at 2.636381 0.684610 3.417139 ESP Fit Center 5115 is at 2.898881 1.007266 3.417139 ESP Fit Center 5116 is at 3.064595 1.388779 3.417139 ESP Fit Center 5117 is at 3.389857 1.800853 3.089820 ESP Fit Center 5118 is at 3.341447 2.215033 3.089820 ESP Fit Center 5119 is at 3.198824 2.606885 3.089820 ESP Fit Center 5120 is at 2.969679 2.955283 3.089820 ESP Fit Center 5121 is at 2.666365 3.241446 3.089820 ESP Fit Center 5122 is at 2.305232 3.449946 3.089820 ESP Fit Center 5123 is at 1.905751 3.569542 3.089820 ESP Fit Center 5124 is at 1.489456 3.593789 3.089820 ESP Fit Center 5125 is at 1.078792 3.521378 3.089820 ESP Fit Center 5126 is at 1.905751 0.032163 3.089820 ESP Fit Center 5127 is at 2.305232 0.151760 3.089820 ESP Fit Center 5128 is at 2.666365 0.360260 3.089820 ESP Fit Center 5129 is at 2.969679 0.646423 3.089820 ESP Fit Center 5130 is at 3.198824 0.994821 3.089820 ESP Fit Center 5131 is at 3.341447 1.386673 3.089820 ESP Fit Center 5132 is at 3.589463 1.800853 2.716385 ESP Fit Center 5133 is at 3.545855 2.215757 2.716385 ESP Fit Center 5134 is at 3.416936 2.612528 2.716385 ESP Fit Center 5135 is at 3.208341 2.973825 2.716385 ESP Fit Center 5136 is at 2.929187 3.283858 2.716385 ESP Fit Center 5137 is at 2.591673 3.529076 2.716385 ESP Fit Center 5138 is at 2.210551 3.698762 2.716385 ESP Fit Center 5139 is at 1.802478 3.785501 2.716385 ESP Fit Center 5140 is at 3.208341 0.627881 2.716385 ESP Fit Center 5141 is at 3.416936 0.989178 2.716385 ESP Fit Center 5142 is at 3.545855 1.385949 2.716385 ESP Fit Center 5143 is at 3.712379 1.800853 2.311184 ESP Fit Center 5144 is at 3.671673 2.214151 2.311184 ESP Fit Center 5145 is at 3.551118 2.611566 2.311184 ESP Fit Center 5146 is at 3.355348 2.977826 2.311184 ESP Fit Center 5147 is at 3.091886 3.298856 2.311184 ESP Fit Center 5148 is at 2.770857 3.562318 2.311184 ESP Fit Center 5149 is at 2.404596 3.758088 2.311184 ESP Fit Center 5150 is at 2.007181 3.878643 2.311184 ESP Fit Center 5151 is at 3.671673 1.387555 2.311184 ESP Fit Center 5152 is at 3.753883 1.800853 1.889789 ESP Fit Center 5153 is at 3.714849 2.209636 1.889789 ESP Fit Center 5154 is at 3.599158 2.603644 1.889789 ESP Fit Center 5155 is at 3.410991 2.968637 1.889789 ESP Fit Center 5156 is at 3.157149 3.291424 1.889789 ESP Fit Center 5157 is at 2.846806 3.560337 1.889789 ESP Fit Center 5158 is at 2.491180 3.765658 1.889789 ESP Fit Center 5159 is at 3.671673 2.214151 1.468394 ESP Fit Center 5160 is at 3.551118 2.611566 1.468394 ESP Fit Center 5161 is at 3.355348 2.977826 1.468394 ESP Fit Center 5162 is at 3.878325 1.477981 1.780303 ESP Fit Center 5163 is at 3.911545 1.815303 1.451863 ESP Fit Center 5164 is at 4.163507 1.840957 1.085826 ESP Fit Center 5165 is at 3.848789 2.127860 1.085826 ESP Fit Center 5166 is at 4.329421 1.856495 0.692177 ESP Fit Center 5167 is at 4.028318 2.157598 0.692177 ESP Fit Center 5168 is at 4.117274 2.171470 0.281653 ESP Fit Center 5169 is at 4.117274 2.171470 -0.134547 ESP Fit Center 5170 is at 4.028318 2.157598 -0.545070 ESP Fit Center 5171 is at 3.848789 2.127860 -0.938719 ESP Fit Center 5172 is at 3.573994 2.076587 -1.304756 ESP Fit Center 5173 is at 3.565206 1.773393 -1.633196 ESP Fit Center 5174 is at 3.192401 1.988632 -1.633196 ESP Fit Center 5175 is at 3.170156 1.660520 -1.915081 ESP Fit Center 5176 is at 2.666331 1.467403 -2.142720 ESP Fit Center 5177 is at 0.214428 4.392496 3.274422 ESP Fit Center 5178 is at 0.635823 4.392496 3.232918 ESP Fit Center 5179 is at 0.425126 4.757435 3.232918 ESP Fit Center 5180 is at 0.003731 4.757435 3.232918 ESP Fit Center 5181 is at -0.206967 4.392496 3.232918 ESP Fit Center 5182 is at 0.003731 4.027557 3.232918 ESP Fit Center 5183 is at 0.425126 4.027557 3.232918 ESP Fit Center 5184 is at 1.041025 4.392496 3.110002 ESP Fit Center 5185 is at 0.930282 4.805794 3.110002 ESP Fit Center 5186 is at 0.627726 5.108349 3.110002 ESP Fit Center 5187 is at 0.214428 5.219092 3.110002 ESP Fit Center 5188 is at -0.198870 5.108349 3.110002 ESP Fit Center 5189 is at -0.501425 4.805794 3.110002 ESP Fit Center 5190 is at -0.612168 4.392496 3.110002 ESP Fit Center 5191 is at -0.501425 3.979198 3.110002 ESP Fit Center 5192 is at -0.198870 3.676643 3.110002 ESP Fit Center 5193 is at 0.214428 3.565900 3.110002 ESP Fit Center 5194 is at 0.627726 3.676643 3.110002 ESP Fit Center 5195 is at 0.930282 3.979198 3.110002 ESP Fit Center 5196 is at 1.414460 4.392496 2.910397 ESP Fit Center 5197 is at 1.342089 4.802931 2.910397 ESP Fit Center 5198 is at 1.133706 5.163861 2.910397 ESP Fit Center 5199 is at 0.814444 5.431754 2.910397 ESP Fit Center 5200 is at 0.422812 5.574296 2.910397 ESP Fit Center 5201 is at 0.006045 5.574296 2.910397 ESP Fit Center 5202 is at -0.385588 5.431754 2.910397 ESP Fit Center 5203 is at -0.704849 5.163861 2.910397 ESP Fit Center 5204 is at -0.913233 4.802931 2.910397 ESP Fit Center 5205 is at -0.985603 4.392496 2.910397 ESP Fit Center 5206 is at -0.913233 3.982061 2.910397 ESP Fit Center 5207 is at -0.704849 3.621130 2.910397 ESP Fit Center 5208 is at -0.385588 3.353238 2.910397 ESP Fit Center 5209 is at 1.342089 3.982061 2.910397 ESP Fit Center 5210 is at 1.741779 4.392496 2.641773 ESP Fit Center 5211 is at 1.685141 4.804570 2.641773 ESP Fit Center 5212 is at 1.519426 5.186083 2.641773 ESP Fit Center 5213 is at 1.256926 5.508739 2.641773 ESP Fit Center 5214 is at 0.917109 5.748608 2.641773 ESP Fit Center 5215 is at 0.525177 5.887901 2.641773 ESP Fit Center 5216 is at 0.110198 5.916286 2.641773 ESP Fit Center 5217 is at -0.297050 5.831659 2.641773 ESP Fit Center 5218 is at -0.666365 5.640295 2.641773 ESP Fit Center 5219 is at -0.970355 5.356388 2.641773 ESP Fit Center 5220 is at -1.186475 5.000994 2.641773 ESP Fit Center 5221 is at -1.298697 4.600470 2.641773 ESP Fit Center 5222 is at -1.298697 4.184522 2.641773 ESP Fit Center 5223 is at 1.685141 3.980422 2.641773 ESP Fit Center 5224 is at 2.010403 4.392496 2.314454 ESP Fit Center 5225 is at 1.961992 4.806676 2.314454 ESP Fit Center 5226 is at 1.819370 5.198528 2.314454 ESP Fit Center 5227 is at 1.590224 5.546926 2.314454 ESP Fit Center 5228 is at 1.286910 5.833089 2.314454 ESP Fit Center 5229 is at 0.925777 6.041588 2.314454 ESP Fit Center 5230 is at 0.526296 6.161185 2.314454 ESP Fit Center 5231 is at 0.110002 6.185432 2.314454 ESP Fit Center 5232 is at -0.300663 6.113020 2.314454 ESP Fit Center 5233 is at -0.683559 5.947855 2.314454 ESP Fit Center 5234 is at -1.018044 5.698840 2.314454 ESP Fit Center 5235 is at -1.286086 5.379400 2.314454 ESP Fit Center 5236 is at -1.473236 5.006755 2.314454 ESP Fit Center 5237 is at 1.961992 3.978316 2.314454 ESP Fit Center 5238 is at 2.210008 4.392496 1.941018 ESP Fit Center 5239 is at 2.166400 4.807400 1.941018 ESP Fit Center 5240 is at 2.037481 5.204171 1.941018 ESP Fit Center 5241 is at 1.828886 5.565468 1.941018 ESP Fit Center 5242 is at 1.549732 5.875501 1.941018 ESP Fit Center 5243 is at 1.212218 6.120719 1.941018 ESP Fit Center 5244 is at 0.831096 6.290405 1.941018 ESP Fit Center 5245 is at 0.423023 6.377144 1.941018 ESP Fit Center 5246 is at 0.005833 6.377144 1.941018 ESP Fit Center 5247 is at -0.402240 6.290405 1.941018 ESP Fit Center 5248 is at -0.783362 6.120719 1.941018 ESP Fit Center 5249 is at -1.120875 5.875501 1.941018 ESP Fit Center 5250 is at -1.400030 5.565468 1.941018 ESP Fit Center 5251 is at 2.166400 3.977591 1.941018 ESP Fit Center 5252 is at 2.332925 4.392496 1.535817 ESP Fit Center 5253 is at 2.292218 4.805794 1.535817 ESP Fit Center 5254 is at 2.171664 5.203209 1.535817 ESP Fit Center 5255 is at 1.975894 5.569469 1.535817 ESP Fit Center 5256 is at 1.712431 5.890499 1.535817 ESP Fit Center 5257 is at 1.391402 6.153961 1.535817 ESP Fit Center 5258 is at 1.025142 6.349731 1.535817 ESP Fit Center 5259 is at 0.627726 6.470286 1.535817 ESP Fit Center 5260 is at 0.214428 6.510992 1.535817 ESP Fit Center 5261 is at -0.198870 6.470286 1.535817 ESP Fit Center 5262 is at -0.596285 6.349731 1.535817 ESP Fit Center 5263 is at -0.962545 6.153961 1.535817 ESP Fit Center 5264 is at -1.283575 5.890499 1.535817 ESP Fit Center 5265 is at 2.335394 4.801279 1.114422 ESP Fit Center 5266 is at 2.219703 5.195287 1.114422 ESP Fit Center 5267 is at 2.031536 5.560280 1.114422 ESP Fit Center 5268 is at 1.777694 5.883067 1.114422 ESP Fit Center 5269 is at 1.467351 6.151980 1.114422 ESP Fit Center 5270 is at 1.111725 6.357301 1.114422 ESP Fit Center 5271 is at 0.723668 6.491609 1.114422 ESP Fit Center 5272 is at 0.317205 6.550049 1.114422 ESP Fit Center 5273 is at -0.092972 6.530510 1.114422 ESP Fit Center 5274 is at -0.492038 6.433698 1.114422 ESP Fit Center 5275 is at -0.865572 6.263111 1.114422 ESP Fit Center 5276 is at 2.171664 5.203209 0.693027 ESP Fit Center 5277 is at 1.975894 5.569469 0.693027 ESP Fit Center 5278 is at 1.712431 5.890499 0.693027 ESP Fit Center 5279 is at 1.391402 6.153961 0.693027 ESP Fit Center 5280 is at 1.025142 6.349731 0.693027 ESP Fit Center 5281 is at 0.627726 6.470286 0.693027 ESP Fit Center 5282 is at 0.214428 6.510992 0.693027 ESP Fit Center 5283 is at -1.545857 3.484149 2.523404 ESP Fit Center 5284 is at -1.840315 3.897447 2.400488 ESP Fit Center 5285 is at -1.951058 3.484149 2.400488 ESP Fit Center 5286 is at -1.840315 3.070851 2.400488 ESP Fit Center 5287 is at -2.043739 4.255514 2.200883 ESP Fit Center 5288 is at -2.252122 3.894584 2.200883 ESP Fit Center 5289 is at -2.324493 3.484149 2.200883 ESP Fit Center 5290 is at -2.252122 3.073714 2.200883 ESP Fit Center 5291 is at -2.043739 2.712783 2.200883 ESP Fit Center 5292 is at -2.309245 4.448041 1.932259 ESP Fit Center 5293 is at -2.525365 4.092647 1.932259 ESP Fit Center 5294 is at -2.637586 3.692123 1.932259 ESP Fit Center 5295 is at -2.637586 3.276175 1.932259 ESP Fit Center 5296 is at -2.525365 2.875651 1.932259 ESP Fit Center 5297 is at -2.309245 2.520256 1.932259 ESP Fit Center 5298 is at -2.356934 4.790493 1.604940 ESP Fit Center 5299 is at -2.624976 4.471053 1.604940 ESP Fit Center 5300 is at -2.812125 4.098408 1.604940 ESP Fit Center 5301 is at -2.908292 3.692649 1.604940 ESP Fit Center 5302 is at -2.908292 3.275649 1.604940 ESP Fit Center 5303 is at -2.812125 2.869889 1.604940 ESP Fit Center 5304 is at -2.624976 2.497245 1.604940 ESP Fit Center 5305 is at -2.356934 2.177804 1.604940 ESP Fit Center 5306 is at -2.459765 4.967154 1.231504 ESP Fit Center 5307 is at -2.738919 4.657121 1.231504 ESP Fit Center 5308 is at -2.947514 4.295824 1.231504 ESP Fit Center 5309 is at -3.076433 3.899053 1.231504 ESP Fit Center 5310 is at -3.120041 3.484149 1.231504 ESP Fit Center 5311 is at -3.076433 3.069244 1.231504 ESP Fit Center 5312 is at -2.947514 2.672473 1.231504 ESP Fit Center 5313 is at -2.738919 2.311176 1.231504 ESP Fit Center 5314 is at -2.622464 4.982152 0.826303 ESP Fit Center 5315 is at -2.885927 4.661122 0.826303 ESP Fit Center 5316 is at -3.081697 4.294862 0.826303 ESP Fit Center 5317 is at -3.202251 3.897447 0.826303 ESP Fit Center 5318 is at -3.242958 3.484149 0.826303 ESP Fit Center 5319 is at -3.202251 3.070851 0.826303 ESP Fit Center 5320 is at -3.081697 2.673435 0.826303 ESP Fit Center 5321 is at -2.538961 5.116568 0.404908 ESP Fit Center 5322 is at -2.822336 4.819372 0.404908 ESP Fit Center 5323 is at -3.044346 4.473918 0.404908 ESP Fit Center 5324 is at -3.196966 4.092691 0.404908 ESP Fit Center 5325 is at -3.274681 3.689470 0.404908 ESP Fit Center 5326 is at -3.274681 3.278828 0.404908 ESP Fit Center 5327 is at -3.196966 2.875606 0.404908 ESP Fit Center 5328 is at -2.622464 4.982152 -0.016487 ESP Fit Center 5329 is at -2.885927 4.661122 -0.016487 ESP Fit Center 5330 is at -3.081697 4.294862 -0.016487 ESP Fit Center 5331 is at -3.202251 3.897447 -0.016487 ESP Fit Center 5332 is at -3.242958 3.484149 -0.016487 ESP Fit Center 5333 is at -3.202251 3.070851 -0.016487 ESP Fit Center 5334 is at -3.081697 2.673435 -0.016487 ESP Fit Center 5335 is at -2.459765 4.967154 -0.421688 ESP Fit Center 5336 is at -2.738919 4.657121 -0.421688 ESP Fit Center 5337 is at -2.947514 4.295824 -0.421688 ESP Fit Center 5338 is at -3.076433 3.899053 -0.421688 ESP Fit Center 5339 is at -3.120041 3.484149 -0.421688 ESP Fit Center 5340 is at -3.076433 3.069244 -0.421688 ESP Fit Center 5341 is at -2.947514 2.672473 -0.421688 ESP Fit Center 5342 is at -2.624976 4.471053 -0.795123 ESP Fit Center 5343 is at -2.812125 4.098408 -0.795123 ESP Fit Center 5344 is at -2.908292 3.692649 -0.795123 ESP Fit Center 5345 is at -2.908292 3.275649 -0.795123 ESP Fit Center 5346 is at -2.812125 2.869889 -0.795123 ESP Fit Center 5347 is at -2.525365 4.092647 -1.122442 ESP Fit Center 5348 is at -2.637586 3.692123 -1.122442 ESP Fit Center 5349 is at -2.637586 3.276175 -1.122442 ESP Fit Center 5350 is at -2.525365 2.875651 -1.122442 ESP Fit Center 5351 is at -2.252122 3.894584 -1.391066 ESP Fit Center 5352 is at -2.324493 3.484149 -1.391066 ESP Fit Center 5353 is at -2.252122 3.073714 -1.391066 ESP Fit Center 5354 is at 1.080038 6.241267 -0.196576 ESP Fit Center 5355 is at 0.713778 6.437037 -0.196576 ESP Fit Center 5356 is at 0.316363 6.557592 -0.196576 ESP Fit Center 5357 is at -0.096935 6.598298 -0.196576 ESP Fit Center 5358 is at -0.510233 6.557592 -0.196576 ESP Fit Center 5359 is at -0.907648 6.437037 -0.196576 ESP Fit Center 5360 is at -1.273908 6.241267 -0.196576 ESP Fit Center 5361 is at 1.720173 5.647586 -0.617971 ESP Fit Center 5362 is at 1.466331 5.970373 -0.617971 ESP Fit Center 5363 is at 1.155988 6.239286 -0.617971 ESP Fit Center 5364 is at 0.800361 6.444607 -0.617971 ESP Fit Center 5365 is at 0.412304 6.578915 -0.617971 ESP Fit Center 5366 is at 0.005842 6.637355 -0.617971 ESP Fit Center 5367 is at -0.404335 6.617816 -0.617971 ESP Fit Center 5368 is at -0.803402 6.521004 -0.617971 ESP Fit Center 5369 is at -1.176935 6.350417 -0.617971 ESP Fit Center 5370 is at -1.511434 6.112221 -0.617971 ESP Fit Center 5371 is at -1.794810 5.815025 -0.617971 ESP Fit Center 5372 is at 1.860300 5.290515 -1.039367 ESP Fit Center 5373 is at 1.664530 5.656775 -1.039367 ESP Fit Center 5374 is at 1.401068 5.977805 -1.039367 ESP Fit Center 5375 is at 1.080038 6.241267 -1.039367 ESP Fit Center 5376 is at 0.713778 6.437037 -1.039367 ESP Fit Center 5377 is at 0.316363 6.557592 -1.039367 ESP Fit Center 5378 is at -0.096935 6.598298 -1.039367 ESP Fit Center 5379 is at -0.510233 6.557592 -1.039367 ESP Fit Center 5380 is at -0.907648 6.437037 -1.039367 ESP Fit Center 5381 is at -1.273908 6.241267 -1.039367 ESP Fit Center 5382 is at -1.594938 5.977805 -1.039367 ESP Fit Center 5383 is at -1.858400 5.656775 -1.039367 ESP Fit Center 5384 is at -2.054170 5.290515 -1.039367 ESP Fit Center 5385 is at 1.855037 4.894706 -1.444568 ESP Fit Center 5386 is at 1.726118 5.291477 -1.444568 ESP Fit Center 5387 is at 1.517523 5.652774 -1.444568 ESP Fit Center 5388 is at 1.238368 5.962807 -1.444568 ESP Fit Center 5389 is at 0.900855 6.208025 -1.444568 ESP Fit Center 5390 is at 0.519733 6.377711 -1.444568 ESP Fit Center 5391 is at 0.111660 6.464450 -1.444568 ESP Fit Center 5392 is at -0.305530 6.464450 -1.444568 ESP Fit Center 5393 is at -0.713603 6.377711 -1.444568 ESP Fit Center 5394 is at -1.094725 6.208025 -1.444568 ESP Fit Center 5395 is at -1.432239 5.962807 -1.444568 ESP Fit Center 5396 is at -1.711393 5.652774 -1.444568 ESP Fit Center 5397 is at -1.919988 5.291477 -1.444568 ESP Fit Center 5398 is at -2.048907 4.894706 -1.444568 ESP Fit Center 5399 is at 1.699039 4.479802 -1.818003 ESP Fit Center 5400 is at 1.650629 4.893982 -1.818003 ESP Fit Center 5401 is at 1.508006 5.285834 -1.818003 ESP Fit Center 5402 is at 1.278861 5.634232 -1.818003 ESP Fit Center 5403 is at 0.975547 5.920395 -1.818003 ESP Fit Center 5404 is at 0.614414 6.128895 -1.818003 ESP Fit Center 5405 is at 0.214933 6.248492 -1.818003 ESP Fit Center 5406 is at -0.201362 6.272738 -1.818003 ESP Fit Center 5407 is at -0.612026 6.200327 -1.818003 ESP Fit Center 5408 is at -0.994922 6.035161 -1.818003 ESP Fit Center 5409 is at -1.329407 5.786146 -1.818003 ESP Fit Center 5410 is at -1.597450 5.466706 -1.818003 ESP Fit Center 5411 is at -1.784599 5.094061 -1.818003 ESP Fit Center 5412 is at -1.880766 4.688302 -1.818003 ESP Fit Center 5413 is at -1.880766 4.271302 -1.818003 ESP Fit Center 5414 is at 1.430416 4.479802 -2.145322 ESP Fit Center 5415 is at 1.373777 4.891876 -2.145322 ESP Fit Center 5416 is at 1.208063 5.273389 -2.145322 ESP Fit Center 5417 is at 0.945563 5.596045 -2.145322 ESP Fit Center 5418 is at 0.605746 5.835914 -2.145322 ESP Fit Center 5419 is at 0.213814 5.975207 -2.145322 ESP Fit Center 5420 is at -0.201165 6.003592 -2.145322 ESP Fit Center 5421 is at -0.608414 5.918965 -2.145322 ESP Fit Center 5422 is at -0.977728 5.727602 -2.145322 ESP Fit Center 5423 is at -1.281718 5.443695 -2.145322 ESP Fit Center 5424 is at -1.497838 5.088300 -2.145322 ESP Fit Center 5425 is at -1.610060 4.687776 -2.145322 ESP Fit Center 5426 is at -1.610060 4.271828 -2.145322 ESP Fit Center 5427 is at -1.497838 3.871304 -2.145322 ESP Fit Center 5428 is at 1.103097 4.479802 -2.413946 ESP Fit Center 5429 is at 1.030726 4.890237 -2.413946 ESP Fit Center 5430 is at 0.822343 5.251168 -2.413946 ESP Fit Center 5431 is at 0.503081 5.519060 -2.413946 ESP Fit Center 5432 is at 0.111448 5.661603 -2.413946 ESP Fit Center 5433 is at -0.305318 5.661603 -2.413946 ESP Fit Center 5434 is at -0.696951 5.519060 -2.413946 ESP Fit Center 5435 is at -1.016213 5.251168 -2.413946 ESP Fit Center 5436 is at -1.224596 4.890237 -2.413946 ESP Fit Center 5437 is at -1.296967 4.479802 -2.413946 ESP Fit Center 5438 is at -1.224596 4.069367 -2.413946 ESP Fit Center 5439 is at -1.016213 3.708437 -2.413946 ESP Fit Center 5440 is at 1.030726 4.069367 -2.413946 ESP Fit Center 5441 is at 0.729661 4.479802 -2.613551 ESP Fit Center 5442 is at 0.618918 4.893100 -2.613551 ESP Fit Center 5443 is at 0.316363 5.195655 -2.613551 ESP Fit Center 5444 is at -0.096935 5.306398 -2.613551 ESP Fit Center 5445 is at -0.510233 5.195655 -2.613551 ESP Fit Center 5446 is at -0.812788 4.893100 -2.613551 ESP Fit Center 5447 is at -0.923531 4.479802 -2.613551 ESP Fit Center 5448 is at -0.812788 4.066504 -2.613551 ESP Fit Center 5449 is at -0.510233 3.763949 -2.613551 ESP Fit Center 5450 is at 0.618918 4.066504 -2.613551 ESP Fit Center 5451 is at 0.324460 4.479802 -2.736468 ESP Fit Center 5452 is at 0.113763 4.844741 -2.736468 ESP Fit Center 5453 is at -0.307633 4.844741 -2.736468 ESP Fit Center 5454 is at -0.518330 4.479802 -2.736468 ESP Fit Center 5455 is at -0.307633 4.114863 -2.736468 ESP Fit Center 5456 is at 0.113763 4.114863 -2.736468 ESP Fit Center 5457 is at -0.096935 4.479802 -2.777971 ESP Fit Center 5458 is at 3.807853 0.787942 2.434075 ESP Fit Center 5459 is at 4.301382 0.938291 2.154636 ESP Fit Center 5460 is at 3.907153 1.091016 2.154636 ESP Fit Center 5461 is at 5.308642 0.466261 1.835997 ESP Fit Center 5462 is at 5.021112 0.778601 1.835997 ESP Fit Center 5463 is at 4.686095 1.039356 1.835997 ESP Fit Center 5464 is at 4.312728 1.241412 1.835997 ESP Fit Center 5465 is at 3.911196 1.379258 1.835997 ESP Fit Center 5466 is at 5.337071 0.795961 1.483610 ESP Fit Center 5467 is at 5.029648 1.081207 1.483610 ESP Fit Center 5468 is at 4.683145 1.317449 1.483610 ESP Fit Center 5469 is at 4.305303 1.499408 1.483610 ESP Fit Center 5470 is at 4.954055 1.369065 1.103505 ESP Fit Center 5471 is at 4.592391 1.577872 1.103505 ESP Fit Center 5472 is at 0.858497 -2.872010 1.103505 ESP Fit Center 5473 is at 1.126934 -3.191921 1.103505 ESP Fit Center 5474 is at 1.437282 -3.471359 1.103505 ESP Fit Center 5475 is at 4.954055 -3.594167 1.103505 ESP Fit Center 5476 is at 5.283139 -3.337058 1.103505 ESP Fit Center 5477 is at 5.573238 -3.036652 1.103505 ESP Fit Center 5478 is at 5.818706 -2.698795 1.103505 ESP Fit Center 5479 is at 6.014763 -2.330064 1.103505 ESP Fit Center 5480 is at 4.784213 1.631951 0.702184 ESP Fit Center 5481 is at 4.404986 1.807931 0.702184 ESP Fit Center 5482 is at 0.700012 -2.883739 0.702184 ESP Fit Center 5483 is at 0.959110 -3.211839 0.702184 ESP Fit Center 5484 is at 1.259627 -3.502477 0.702184 ESP Fit Center 5485 is at 1.596202 -3.750467 0.702184 ESP Fit Center 5486 is at 1.962827 -3.951383 0.702184 ESP Fit Center 5487 is at 2.352960 -4.101640 0.702184 ESP Fit Center 5488 is at 2.759640 -4.198556 0.702184 ESP Fit Center 5489 is at 3.175609 -4.240403 0.702184 ESP Fit Center 5490 is at 3.593443 -4.226433 0.702184 ESP Fit Center 5491 is at 4.005688 -4.156896 0.702184 ESP Fit Center 5492 is at 4.404986 -4.033033 0.702184 ESP Fit Center 5493 is at 4.784213 -3.857053 0.702184 ESP Fit Center 5494 is at 5.136599 -3.632098 0.702184 ESP Fit Center 5495 is at 5.455858 -3.362182 0.702184 ESP Fit Center 5496 is at 5.736292 -3.052120 0.702184 ESP Fit Center 5497 is at 5.972897 -2.707447 0.702184 ESP Fit Center 5498 is at 4.509471 1.855210 0.286515 ESP Fit Center 5499 is at 2.448784 -4.215377 0.286515 ESP Fit Center 5500 is at 2.860897 -4.297351 0.286515 ESP Fit Center 5501 is at 3.280184 -4.324833 0.286515 ESP Fit Center 5502 is at 3.699471 -4.297351 0.286515 ESP Fit Center 5503 is at 4.111584 -4.215377 0.286515 ESP Fit Center 5504 is at 4.509471 -4.080312 0.286515 ESP Fit Center 5505 is at 4.886325 -3.894468 0.286515 ESP Fit Center 5506 is at 5.235697 -3.661025 0.286515 ESP Fit Center 5507 is at 5.551610 -3.383977 0.286515 ESP Fit Center 5508 is at 5.828658 -3.068064 0.286515 ESP Fit Center 5509 is at 6.062101 -2.718692 0.286515 ESP Fit Center 5510 is at 4.591682 1.850146 -0.136390 ESP Fit Center 5511 is at 3.384031 -4.350887 -0.136390 ESP Fit Center 5512 is at 3.797288 -4.311020 -0.136390 ESP Fit Center 5513 is at 4.202053 -4.218635 -0.136390 ESP Fit Center 5514 is at 4.591682 -4.075248 -0.136390 ESP Fit Center 5515 is at 4.959776 -3.883214 -0.136390 ESP Fit Center 5516 is at 5.300291 -3.645685 -0.136390 ESP Fit Center 5517 is at 5.607636 -3.366563 -0.136390 ESP Fit Center 5518 is at 5.876764 -3.050429 -0.136390 ESP Fit Center 5519 is at 4.509471 1.855210 -0.559295 ESP Fit Center 5520 is at 3.699471 -4.297351 -0.559295 ESP Fit Center 5521 is at 4.111584 -4.215377 -0.559295 ESP Fit Center 5522 is at 4.509471 -4.080312 -0.559295 ESP Fit Center 5523 is at 4.886325 -3.894468 -0.559295 ESP Fit Center 5524 is at 5.235697 -3.661025 -0.559295 ESP Fit Center 5525 is at 5.551610 -3.383977 -0.559295 ESP Fit Center 5526 is at 5.828658 -3.068064 -0.559295 ESP Fit Center 5527 is at 4.404986 1.807931 -0.974964 ESP Fit Center 5528 is at 4.005688 -4.156896 -0.974964 ESP Fit Center 5529 is at 4.404986 -4.033033 -0.974964 ESP Fit Center 5530 is at 4.784213 -3.857053 -0.974964 ESP Fit Center 5531 is at 5.136599 -3.632098 -0.974964 ESP Fit Center 5532 is at 5.455858 -3.362182 -0.974964 ESP Fit Center 5533 is at 5.736292 -3.052120 -0.974964 ESP Fit Center 5534 is at 4.205186 1.734313 -1.376284 ESP Fit Center 5535 is at 4.205186 -3.959415 -1.376284 ESP Fit Center 5536 is at 4.592391 -3.802974 -1.376284 ESP Fit Center 5537 is at 4.954055 -3.594167 -1.376284 ESP Fit Center 5538 is at 5.283139 -3.337058 -1.376284 ESP Fit Center 5539 is at 5.573238 -3.036652 -1.376284 ESP Fit Center 5540 is at 4.305303 1.499408 -1.756390 ESP Fit Center 5541 is at 3.904560 1.623021 -1.756390 ESP Fit Center 5542 is at 3.489871 1.685525 -1.756390 ESP Fit Center 5543 is at 4.305303 -3.724511 -1.756390 ESP Fit Center 5544 is at 4.683145 -3.542551 -1.756390 ESP Fit Center 5545 is at 5.029648 -3.306310 -1.756390 ESP Fit Center 5546 is at 5.337071 -3.021063 -1.756390 ESP Fit Center 5547 is at 5.598546 -2.693184 -1.756390 ESP Fit Center 5548 is at 4.312728 1.241412 -2.108777 ESP Fit Center 5549 is at 3.911196 1.379258 -2.108777 ESP Fit Center 5550 is at 3.492451 1.449134 -2.108777 ESP Fit Center 5551 is at 3.067917 1.449134 -2.108777 ESP Fit Center 5552 is at 4.312728 -3.466514 -2.108777 ESP Fit Center 5553 is at 4.686095 -3.264458 -2.108777 ESP Fit Center 5554 is at 5.021112 -3.003704 -2.108777 ESP Fit Center 5555 is at 5.308642 -2.691363 -2.108777 ESP Fit Center 5556 is at 4.301382 0.938291 -2.427416 ESP Fit Center 5557 is at 3.907153 1.091016 -2.427416 ESP Fit Center 5558 is at 3.491573 1.168702 -2.427416 ESP Fit Center 5559 is at 3.068795 1.168702 -2.427416 ESP Fit Center 5560 is at 2.653215 1.091016 -2.427416 ESP Fit Center 5561 is at 4.301382 -3.163394 -2.427416 ESP Fit Center 5562 is at 4.660836 -2.940829 -2.427416 ESP Fit Center 5563 is at 4.973273 -2.656005 -2.427416 ESP Fit Center 5564 is at 5.228054 -2.318621 -2.427416 ESP Fit Center 5565 is at 4.557080 0.390727 -2.706855 ESP Fit Center 5566 is at 4.204067 0.630077 -2.706855 ESP Fit Center 5567 is at 3.807853 0.787942 -2.706855 ESP Fit Center 5568 is at 3.386967 0.856943 -2.706855 ESP Fit Center 5569 is at 2.961087 0.833853 -2.706855 ESP Fit Center 5570 is at 2.550128 0.719750 -2.706855 ESP Fit Center 5571 is at 4.204067 -2.855179 -2.706855 ESP Fit Center 5572 is at 4.557080 -2.615830 -2.706855 ESP Fit Center 5573 is at 4.850388 -2.306189 -2.706855 ESP Fit Center 5574 is at 5.070274 -1.940735 -2.706855 ESP Fit Center 5575 is at 4.900184 -1.112551 -2.942312 ESP Fit Center 5576 is at 4.844984 -0.693264 -2.942312 ESP Fit Center 5577 is at 4.683145 -0.302551 -2.942312 ESP Fit Center 5578 is at 4.425697 0.032962 -2.942312 ESP Fit Center 5579 is at 4.090184 0.290410 -2.942312 ESP Fit Center 5580 is at 3.699471 0.452249 -2.942312 ESP Fit Center 5581 is at 3.280184 0.507449 -2.942312 ESP Fit Center 5582 is at 2.860897 0.452249 -2.942312 ESP Fit Center 5583 is at 2.470184 0.290410 -2.942312 ESP Fit Center 5584 is at 4.090184 -2.515512 -2.942312 ESP Fit Center 5585 is at 4.425697 -2.258064 -2.942312 ESP Fit Center 5586 is at 4.683145 -1.922551 -2.942312 ESP Fit Center 5587 is at 4.844984 -1.531838 -2.942312 ESP Fit Center 5588 is at 4.520078 -1.112551 -3.129759 ESP Fit Center 5589 is at 4.445304 -0.688482 -3.129759 ESP Fit Center 5590 is at 4.229998 -0.315562 -3.129759 ESP Fit Center 5591 is at 3.900131 -0.038771 -3.129759 ESP Fit Center 5592 is at 3.495489 0.108506 -3.129759 ESP Fit Center 5593 is at 3.064879 0.108506 -3.129759 ESP Fit Center 5594 is at 2.660237 -0.038771 -3.129759 ESP Fit Center 5595 is at 2.330370 -0.315562 -3.129759 ESP Fit Center 5596 is at 3.900131 -2.186331 -3.129759 ESP Fit Center 5597 is at 4.229998 -1.909540 -3.129759 ESP Fit Center 5598 is at 4.445304 -1.536620 -3.129759 ESP Fit Center 5599 is at 4.118758 -1.112551 -3.265989 ESP Fit Center 5600 is at 4.006410 -0.693264 -3.265989 ESP Fit Center 5601 is at 3.699471 -0.386325 -3.265989 ESP Fit Center 5602 is at 3.280184 -0.273977 -3.265989 ESP Fit Center 5603 is at 2.860897 -0.386325 -3.265989 ESP Fit Center 5604 is at 2.553958 -0.693264 -3.265989 ESP Fit Center 5605 is at 3.699471 -1.838777 -3.265989 ESP Fit Center 5606 is at 4.006410 -1.531838 -3.265989 ESP Fit Center 5607 is at 3.703089 -1.112551 -3.348671 ESP Fit Center 5608 is at 3.491636 -0.746305 -3.348671 ESP Fit Center 5609 is at 3.068732 -0.746305 -3.348671 ESP Fit Center 5610 is at 2.857279 -1.112551 -3.348671 ESP Fit Center 5611 is at 3.491636 -1.478798 -3.348671 ESP Fit Center 5612 is at 3.280184 -1.112551 -3.376390 ESP Fit Center 5613 is at 6.222895 -0.722794 1.569970 ESP Fit Center 5614 is at 6.165498 -0.305199 1.569970 ESP Fit Center 5615 is at 5.997563 0.081426 1.569970 ESP Fit Center 5616 is at 5.731546 0.408405 1.569970 ESP Fit Center 5617 is at 6.165498 -1.140390 1.569970 ESP Fit Center 5618 is at 6.529103 -0.722794 1.288086 ESP Fit Center 5619 is at 6.479128 -0.295227 1.288086 ESP Fit Center 5620 is at 6.331895 0.109290 1.288086 ESP Fit Center 5621 is at 6.095344 0.468949 1.288086 ESP Fit Center 5622 is at 5.782225 0.764361 1.288086 ESP Fit Center 5623 is at 5.409420 0.979601 1.288086 ESP Fit Center 5624 is at 6.095344 -1.914538 1.288086 ESP Fit Center 5625 is at 6.331895 -1.554879 1.288086 ESP Fit Center 5626 is at 6.479128 -1.150362 1.288086 ESP Fit Center 5627 is at 6.784738 -0.722794 0.959645 ESP Fit Center 5628 is at 6.741554 -0.298123 0.959645 ESP Fit Center 5629 is at 6.613767 0.109162 0.959645 ESP Fit Center 5630 is at 6.406610 0.482387 0.959645 ESP Fit Center 5631 is at 6.128564 0.806272 0.959645 ESP Fit Center 5632 is at 5.791013 1.067556 0.959645 ESP Fit Center 5633 is at 5.407775 1.255543 0.959645 ESP Fit Center 5634 is at 6.128564 -2.251860 0.959645 ESP Fit Center 5635 is at 6.406610 -1.927976 0.959645 ESP Fit Center 5636 is at 6.613767 -1.554751 0.959645 ESP Fit Center 5637 is at 6.741554 -1.147466 0.959645 ESP Fit Center 5638 is at 6.982828 -0.722794 0.593608 ESP Fit Center 5639 is at 6.943534 -0.298747 0.593608 ESP Fit Center 5640 is at 6.826991 0.110861 0.593608 ESP Fit Center 5641 is at 6.637166 0.492079 0.593608 ESP Fit Center 5642 is at 6.380526 0.831926 0.593608 ESP Fit Center 5643 is at 6.065808 1.118829 0.593608 ESP Fit Center 5644 is at 5.703731 1.343018 0.593608 ESP Fit Center 5645 is at 5.306624 1.496858 0.593608 ESP Fit Center 5646 is at 6.380526 -2.277515 0.593608 ESP Fit Center 5647 is at 6.637166 -1.937668 0.593608 ESP Fit Center 5648 is at 6.826991 -1.556449 0.593608 ESP Fit Center 5649 is at 6.943534 -1.146842 0.593608 ESP Fit Center 5650 is at 7.117968 -0.722794 0.199959 ESP Fit Center 5651 is at 7.080855 -0.298591 0.199959 ESP Fit Center 5652 is at 6.970643 0.112723 0.199959 ESP Fit Center 5653 is at 6.790683 0.498650 0.199959 ESP Fit Center 5654 is at 6.546440 0.847464 0.199959 ESP Fit Center 5655 is at 6.245337 1.148567 0.199959 ESP Fit Center 5656 is at 5.896523 1.392809 0.199959 ESP Fit Center 5657 is at 5.510596 1.572770 0.199959 ESP Fit Center 5658 is at 5.099282 1.682981 0.199959 ESP Fit Center 5659 is at 6.245337 -2.594156 0.199959 ESP Fit Center 5660 is at 6.546440 -2.293053 0.199959 ESP Fit Center 5661 is at 6.790683 -1.944239 0.199959 ESP Fit Center 5662 is at 6.970643 -1.558312 0.199959 ESP Fit Center 5663 is at 7.080855 -1.146998 0.199959 ESP Fit Center 5664 is at 7.186472 -0.722794 -0.210564 ESP Fit Center 5665 is at 7.150348 -0.298367 -0.210564 ESP Fit Center 5666 is at 7.043015 0.113851 -0.210564 ESP Fit Center 5667 is at 6.867560 0.501999 -0.210564 ESP Fit Center 5668 is at 6.629032 0.854913 -0.210564 ESP Fit Center 5669 is at 6.334293 1.162439 -0.210564 ESP Fit Center 5670 is at 5.991820 1.415730 -0.210564 ESP Fit Center 5671 is at 5.611468 1.607500 -0.210564 ESP Fit Center 5672 is at 5.204177 1.732231 -0.210564 ESP Fit Center 5673 is at 4.781665 1.786336 -0.210564 ESP Fit Center 5674 is at 6.334293 -2.608027 -0.210564 ESP Fit Center 5675 is at 6.629032 -2.300502 -0.210564 ESP Fit Center 5676 is at 6.867560 -1.947588 -0.210564 ESP Fit Center 5677 is at 7.043015 -1.559439 -0.210564 ESP Fit Center 5678 is at 7.150348 -1.147222 -0.210564 ESP Fit Center 5679 is at 7.186472 -0.722794 -0.626764 ESP Fit Center 5680 is at 7.150348 -0.298367 -0.626764 ESP Fit Center 5681 is at 7.043015 0.113851 -0.626764 ESP Fit Center 5682 is at 6.867560 0.501999 -0.626764 ESP Fit Center 5683 is at 6.629032 0.854913 -0.626764 ESP Fit Center 5684 is at 6.334293 1.162439 -0.626764 ESP Fit Center 5685 is at 5.991820 1.415730 -0.626764 ESP Fit Center 5686 is at 5.611468 1.607500 -0.626764 ESP Fit Center 5687 is at 5.204177 1.732231 -0.626764 ESP Fit Center 5688 is at 4.781665 1.786336 -0.626764 ESP Fit Center 5689 is at 5.991820 -2.861319 -0.626764 ESP Fit Center 5690 is at 6.334293 -2.608027 -0.626764 ESP Fit Center 5691 is at 6.629032 -2.300502 -0.626764 ESP Fit Center 5692 is at 6.867560 -1.947588 -0.626764 ESP Fit Center 5693 is at 7.043015 -1.559439 -0.626764 ESP Fit Center 5694 is at 7.150348 -1.147222 -0.626764 ESP Fit Center 5695 is at 7.117968 -0.722794 -1.037287 ESP Fit Center 5696 is at 7.080855 -0.298591 -1.037287 ESP Fit Center 5697 is at 6.970643 0.112723 -1.037287 ESP Fit Center 5698 is at 6.790683 0.498650 -1.037287 ESP Fit Center 5699 is at 6.546440 0.847464 -1.037287 ESP Fit Center 5700 is at 6.245337 1.148567 -1.037287 ESP Fit Center 5701 is at 5.896523 1.392809 -1.037287 ESP Fit Center 5702 is at 5.510596 1.572770 -1.037287 ESP Fit Center 5703 is at 5.099282 1.682981 -1.037287 ESP Fit Center 5704 is at 4.675079 1.720094 -1.037287 ESP Fit Center 5705 is at 5.896523 -2.838398 -1.037287 ESP Fit Center 5706 is at 6.245337 -2.594156 -1.037287 ESP Fit Center 5707 is at 6.546440 -2.293053 -1.037287 ESP Fit Center 5708 is at 6.790683 -1.944239 -1.037287 ESP Fit Center 5709 is at 6.970643 -1.558312 -1.037287 ESP Fit Center 5710 is at 7.080855 -1.146998 -1.037287 ESP Fit Center 5711 is at 6.982828 -0.722794 -1.430936 ESP Fit Center 5712 is at 6.943534 -0.298747 -1.430936 ESP Fit Center 5713 is at 6.826991 0.110861 -1.430936 ESP Fit Center 5714 is at 6.637166 0.492079 -1.430936 ESP Fit Center 5715 is at 6.380526 0.831926 -1.430936 ESP Fit Center 5716 is at 6.065808 1.118829 -1.430936 ESP Fit Center 5717 is at 5.703731 1.343018 -1.430936 ESP Fit Center 5718 is at 5.306624 1.496858 -1.430936 ESP Fit Center 5719 is at 4.888011 1.575110 -1.430936 ESP Fit Center 5720 is at 6.065808 -2.564418 -1.430936 ESP Fit Center 5721 is at 6.380526 -2.277515 -1.430936 ESP Fit Center 5722 is at 6.637166 -1.937668 -1.430936 ESP Fit Center 5723 is at 6.826991 -1.556449 -1.430936 ESP Fit Center 5724 is at 6.943534 -1.146842 -1.430936 ESP Fit Center 5725 is at 6.784738 -0.722794 -1.796973 ESP Fit Center 5726 is at 6.741554 -0.298123 -1.796973 ESP Fit Center 5727 is at 6.613767 0.109162 -1.796973 ESP Fit Center 5728 is at 6.406610 0.482387 -1.796973 ESP Fit Center 5729 is at 6.128564 0.806272 -1.796973 ESP Fit Center 5730 is at 5.791013 1.067556 -1.796973 ESP Fit Center 5731 is at 5.407775 1.255543 -1.796973 ESP Fit Center 5732 is at 4.994540 1.362537 -1.796973 ESP Fit Center 5733 is at 4.568226 1.384157 -1.796973 ESP Fit Center 5734 is at 5.791013 -2.513145 -1.796973 ESP Fit Center 5735 is at 6.128564 -2.251860 -1.796973 ESP Fit Center 5736 is at 6.406610 -1.927976 -1.796973 ESP Fit Center 5737 is at 6.613767 -1.554751 -1.796973 ESP Fit Center 5738 is at 6.741554 -1.147466 -1.796973 ESP Fit Center 5739 is at 6.529103 -0.722794 -2.125414 ESP Fit Center 5740 is at 6.479128 -0.295227 -2.125414 ESP Fit Center 5741 is at 6.331895 0.109290 -2.125414 ESP Fit Center 5742 is at 6.095344 0.468949 -2.125414 ESP Fit Center 5743 is at 5.782225 0.764361 -2.125414 ESP Fit Center 5744 is at 5.409420 0.979601 -2.125414 ESP Fit Center 5745 is at 4.997027 1.103063 -2.125414 ESP Fit Center 5746 is at 4.567277 1.128093 -2.125414 ESP Fit Center 5747 is at 5.782225 -2.209950 -2.125414 ESP Fit Center 5748 is at 6.095344 -1.914538 -2.125414 ESP Fit Center 5749 is at 6.331895 -1.554879 -2.125414 ESP Fit Center 5750 is at 6.479128 -1.150362 -2.125414 ESP Fit Center 5751 is at 6.222895 -0.722794 -2.407298 ESP Fit Center 5752 is at 6.165498 -0.305199 -2.407298 ESP Fit Center 5753 is at 5.997563 0.081426 -2.407298 ESP Fit Center 5754 is at 5.731546 0.408405 -2.407298 ESP Fit Center 5755 is at 5.387175 0.651489 -2.407298 ESP Fit Center 5756 is at 4.989991 0.792648 -2.407298 ESP Fit Center 5757 is at 4.569452 0.821413 -2.407298 ESP Fit Center 5758 is at 5.387175 -2.097077 -2.407298 ESP Fit Center 5759 is at 5.731546 -1.853994 -2.407298 ESP Fit Center 5760 is at 5.997563 -1.527015 -2.407298 ESP Fit Center 5761 is at 6.165498 -1.140390 -2.407298 ESP Fit Center 5762 is at 5.874466 -0.722794 -2.634938 ESP Fit Center 5763 is at 5.802134 -0.312580 -2.634938 ESP Fit Center 5764 is at 5.593863 0.048157 -2.634938 ESP Fit Center 5765 is at 5.274773 0.315906 -2.634938 ESP Fit Center 5766 is at 4.883350 0.458372 -2.634938 ESP Fit Center 5767 is at 5.274773 -1.761494 -2.634938 ESP Fit Center 5768 is at 5.593863 -1.493746 -2.634938 ESP Fit Center 5769 is at 5.802134 -1.133009 -2.634938 ESP Fit Center 5770 is at 5.493322 -0.722794 -2.802123 ESP Fit Center 5771 is at 5.383698 -0.313673 -2.802123 ESP Fit Center 5772 is at 5.084200 -0.014175 -2.802123 ESP Fit Center 5773 is at 4.675079 0.095448 -2.802123 ESP Fit Center 5774 is at 5.383698 -1.131916 -2.802123 ESP Fit Center 5775 is at 5.089857 -0.722794 -2.904294 ESP Fit Center 5776 is at 4.882468 -0.363586 -2.904294 ESP Fit Center 5777 is at 0.469656 -2.657187 0.411164 ESP Fit Center 5778 is at 0.637991 -3.049454 0.411164 ESP Fit Center 5779 is at 0.881843 -3.399807 0.411164 ESP Fit Center 5780 is at 1.191229 -3.693900 0.411164 ESP Fit Center 5781 is at 1.553483 -3.919694 0.411164 ESP Fit Center 5782 is at 1.953773 -4.067946 0.411164 ESP Fit Center 5783 is at 0.330653 -2.859287 0.045127 ESP Fit Center 5784 is at 0.520477 -3.240506 0.045127 ESP Fit Center 5785 is at 0.777118 -3.580353 0.045127 ESP Fit Center 5786 is at 1.091835 -3.867256 0.045127 ESP Fit Center 5787 is at 1.453912 -4.091444 0.045127 ESP Fit Center 5788 is at 1.851019 -4.245284 0.045127 ESP Fit Center 5789 is at 2.269632 -4.323537 0.045127 ESP Fit Center 5790 is at 2.695497 -4.323537 0.045127 ESP Fit Center 5791 is at 0.076789 -2.449836 -0.348522 ESP Fit Center 5792 is at 0.187000 -2.861150 -0.348522 ESP Fit Center 5793 is at 0.366961 -3.247077 -0.348522 ESP Fit Center 5794 is at 0.611203 -3.595891 -0.348522 ESP Fit Center 5795 is at 0.912306 -3.896994 -0.348522 ESP Fit Center 5796 is at 1.261120 -4.141236 -0.348522 ESP Fit Center 5797 is at 1.647047 -4.321197 -0.348522 ESP Fit Center 5798 is at 2.058361 -4.431408 -0.348522 ESP Fit Center 5799 is at 2.482565 -4.468521 -0.348522 ESP Fit Center 5800 is at 2.906768 -4.431408 -0.348522 ESP Fit Center 5801 is at -0.019781 -2.238613 -0.759045 ESP Fit Center 5802 is at 0.052207 -2.658448 -0.759045 ESP Fit Center 5803 is at 0.194112 -3.060078 -0.759045 ESP Fit Center 5804 is at 0.401851 -3.431949 -0.759045 ESP Fit Center 5805 is at 0.669449 -3.763363 -0.759045 ESP Fit Center 5806 is at 0.989207 -4.044785 -0.759045 ESP Fit Center 5807 is at 1.351926 -4.268120 -0.759045 ESP Fit Center 5808 is at 1.747172 -4.426943 -0.759045 ESP Fit Center 5809 is at 2.163573 -4.516684 -0.759045 ESP Fit Center 5810 is at 2.589151 -4.534762 -0.759045 ESP Fit Center 5811 is at 3.011663 -4.480658 -0.759045 ESP Fit Center 5812 is at 3.418954 -4.355926 -0.759045 ESP Fit Center 5813 is at -0.019781 -2.238613 -1.175245 ESP Fit Center 5814 is at 0.052207 -2.658448 -1.175245 ESP Fit Center 5815 is at 0.194112 -3.060078 -1.175245 ESP Fit Center 5816 is at 0.401851 -3.431949 -1.175245 ESP Fit Center 5817 is at 0.669449 -3.763363 -1.175245 ESP Fit Center 5818 is at 0.989207 -4.044785 -1.175245 ESP Fit Center 5819 is at 1.351926 -4.268120 -1.175245 ESP Fit Center 5820 is at 1.747172 -4.426943 -1.175245 ESP Fit Center 5821 is at 2.163573 -4.516684 -1.175245 ESP Fit Center 5822 is at 2.589151 -4.534762 -1.175245 ESP Fit Center 5823 is at 3.011663 -4.480658 -1.175245 ESP Fit Center 5824 is at 3.418954 -4.355926 -1.175245 ESP Fit Center 5825 is at 3.799306 -4.164157 -1.175245 ESP Fit Center 5826 is at 0.076789 -2.449836 -1.585769 ESP Fit Center 5827 is at 0.187000 -2.861150 -1.585769 ESP Fit Center 5828 is at 0.366961 -3.247077 -1.585769 ESP Fit Center 5829 is at 0.611203 -3.595891 -1.585769 ESP Fit Center 5830 is at 0.912306 -3.896994 -1.585769 ESP Fit Center 5831 is at 1.261120 -4.141236 -1.585769 ESP Fit Center 5832 is at 1.647047 -4.321197 -1.585769 ESP Fit Center 5833 is at 2.058361 -4.431408 -1.585769 ESP Fit Center 5834 is at 2.482565 -4.468521 -1.585769 ESP Fit Center 5835 is at 2.906768 -4.431408 -1.585769 ESP Fit Center 5836 is at 3.318082 -4.321197 -1.585769 ESP Fit Center 5837 is at 3.704009 -4.141236 -1.585769 ESP Fit Center 5838 is at 0.214110 -2.449680 -1.979418 ESP Fit Center 5839 is at 0.330653 -2.859287 -1.979418 ESP Fit Center 5840 is at 0.520477 -3.240506 -1.979418 ESP Fit Center 5841 is at 0.777118 -3.580353 -1.979418 ESP Fit Center 5842 is at 1.091835 -3.867256 -1.979418 ESP Fit Center 5843 is at 1.453912 -4.091444 -1.979418 ESP Fit Center 5844 is at 1.851019 -4.245284 -1.979418 ESP Fit Center 5845 is at 2.269632 -4.323537 -1.979418 ESP Fit Center 5846 is at 2.695497 -4.323537 -1.979418 ESP Fit Center 5847 is at 3.114110 -4.245284 -1.979418 ESP Fit Center 5848 is at 3.511217 -4.091444 -1.979418 ESP Fit Center 5849 is at 3.873294 -3.867256 -1.979418 ESP Fit Center 5850 is at 0.383729 -2.239063 -2.345455 ESP Fit Center 5851 is at 0.469656 -2.657187 -2.345455 ESP Fit Center 5852 is at 0.637991 -3.049454 -2.345455 ESP Fit Center 5853 is at 0.881843 -3.399807 -2.345455 ESP Fit Center 5854 is at 1.191229 -3.693900 -2.345455 ESP Fit Center 5855 is at 1.553483 -3.919694 -2.345455 ESP Fit Center 5856 is at 1.953773 -4.067946 -2.345455 ESP Fit Center 5857 is at 2.375712 -4.132584 -2.345455 ESP Fit Center 5858 is at 2.802026 -4.110964 -2.345455 ESP Fit Center 5859 is at 3.215260 -4.003970 -2.345455 ESP Fit Center 5860 is at 3.598499 -3.815983 -2.345455 ESP Fit Center 5861 is at 3.936050 -3.554698 -2.345455 ESP Fit Center 5862 is at 0.641077 -2.240871 -2.673895 ESP Fit Center 5863 is at 0.740352 -2.659746 -2.673895 ESP Fit Center 5864 is at 0.933550 -3.044435 -2.673895 ESP Fit Center 5865 is at 1.210256 -3.374201 -2.673895 ESP Fit Center 5866 is at 1.555552 -3.631264 -2.673895 ESP Fit Center 5867 is at 1.950824 -3.801768 -2.673895 ESP Fit Center 5868 is at 2.374763 -3.876520 -2.673895 ESP Fit Center 5869 is at 2.804513 -3.851490 -2.673895 ESP Fit Center 5870 is at 3.216906 -3.728027 -2.673895 ESP Fit Center 5871 is at 3.589711 -3.512788 -2.673895 ESP Fit Center 5872 is at 3.902830 -3.217376 -2.673895 ESP Fit Center 5873 is at 0.949165 -1.814871 -2.955779 ESP Fit Center 5874 is at 0.949165 -2.236393 -2.955779 ESP Fit Center 5875 is at 1.062890 -2.642284 -2.955779 ESP Fit Center 5876 is at 1.281906 -3.002440 -2.955779 ESP Fit Center 5877 is at 1.589970 -3.290151 -2.955779 ESP Fit Center 5878 is at 1.964233 -3.484079 -2.955779 ESP Fit Center 5879 is at 2.376938 -3.569840 -2.955779 ESP Fit Center 5880 is at 2.797477 -3.541074 -2.955779 ESP Fit Center 5881 is at 3.194661 -3.399915 -2.955779 ESP Fit Center 5882 is at 3.539031 -3.156832 -2.955779 ESP Fit Center 5883 is at 3.805049 -2.829853 -2.955779 ESP Fit Center 5884 is at 1.355509 -1.615418 -3.183419 ESP Fit Center 5885 is at 1.283177 -2.025632 -3.183419 ESP Fit Center 5886 is at 1.355509 -2.435847 -3.183419 ESP Fit Center 5887 is at 1.563780 -2.796584 -3.183419 ESP Fit Center 5888 is at 1.882871 -3.064332 -3.183419 ESP Fit Center 5889 is at 2.274293 -3.206798 -3.183419 ESP Fit Center 5890 is at 2.690836 -3.206798 -3.183419 ESP Fit Center 5891 is at 3.082258 -3.064332 -3.183419 ESP Fit Center 5892 is at 3.401349 -2.796584 -3.183419 ESP Fit Center 5893 is at 3.609620 -2.435847 -3.183419 ESP Fit Center 5894 is at 3.300807 -2.025632 -3.350605 ESP Fit Center 5895 is at 3.191184 -1.616511 -3.350605 ESP Fit Center 5896 is at 2.891686 -1.317013 -3.350605 ESP Fit Center 5897 is at 2.482565 -1.207390 -3.350605 ESP Fit Center 5898 is at 2.073443 -1.317013 -3.350605 ESP Fit Center 5899 is at 1.773946 -1.616511 -3.350605 ESP Fit Center 5900 is at 1.664322 -2.025632 -3.350605 ESP Fit Center 5901 is at 1.773946 -2.434754 -3.350605 ESP Fit Center 5902 is at 2.073443 -2.734251 -3.350605 ESP Fit Center 5903 is at 2.482565 -2.843875 -3.350605 ESP Fit Center 5904 is at 2.891686 -2.734251 -3.350605 ESP Fit Center 5905 is at 3.191184 -2.434754 -3.350605 ESP Fit Center 5906 is at 2.897343 -2.025632 -3.452776 ESP Fit Center 5907 is at 2.689954 -1.666424 -3.452776 ESP Fit Center 5908 is at 2.275175 -1.666424 -3.452776 ESP Fit Center 5909 is at 2.067786 -2.025632 -3.452776 ESP Fit Center 5910 is at 2.275175 -2.384841 -3.452776 ESP Fit Center 5911 is at 2.689954 -2.384841 -3.452776 ESP Fit Center 5912 is at 2.482565 -2.025632 -3.487145 ESP Fit Center 5913 is at 3.254120 -1.693163 3.923127 ESP Fit Center 5914 is at 3.046731 -1.333954 3.888757 ESP Fit Center 5915 is at 2.839341 -1.693163 3.888757 ESP Fit Center 5916 is at 3.046731 -2.052371 3.888757 ESP Fit Center 5917 is at 3.461509 -2.052371 3.888757 ESP Fit Center 5918 is at 2.844999 -0.984544 3.786586 ESP Fit Center 5919 is at 2.545501 -1.284041 3.786586 ESP Fit Center 5920 is at 2.435877 -1.693163 3.786586 ESP Fit Center 5921 is at 2.545501 -2.102284 3.786586 ESP Fit Center 5922 is at 2.844999 -2.401782 3.786586 ESP Fit Center 5923 is at 3.254120 -2.511405 3.786586 ESP Fit Center 5924 is at 3.663241 -2.401782 3.786586 ESP Fit Center 5925 is at 3.045848 -0.511997 3.619400 ESP Fit Center 5926 is at 2.654426 -0.654463 3.619400 ESP Fit Center 5927 is at 2.335336 -0.922211 3.619400 ESP Fit Center 5928 is at 2.127064 -1.282948 3.619400 ESP Fit Center 5929 is at 2.054732 -1.693163 3.619400 ESP Fit Center 5930 is at 2.127064 -2.103377 3.619400 ESP Fit Center 5931 is at 2.335336 -2.464114 3.619400 ESP Fit Center 5932 is at 2.654426 -2.731863 3.619400 ESP Fit Center 5933 is at 3.045848 -2.874329 3.619400 ESP Fit Center 5934 is at 3.462391 -2.874329 3.619400 ESP Fit Center 5935 is at 3.853814 -2.731863 3.619400 ESP Fit Center 5936 is at 2.735788 -0.234716 3.391761 ESP Fit Center 5937 is at 2.361525 -0.428644 3.391761 ESP Fit Center 5938 is at 2.053461 -0.716355 3.391761 ESP Fit Center 5939 is at 1.834445 -1.076511 3.391761 ESP Fit Center 5940 is at 1.720720 -1.482402 3.391761 ESP Fit Center 5941 is at 1.720720 -1.903924 3.391761 ESP Fit Center 5942 is at 1.834445 -2.309814 3.391761 ESP Fit Center 5943 is at 2.053461 -2.669971 3.391761 ESP Fit Center 5944 is at 2.361525 -2.957682 3.391761 ESP Fit Center 5945 is at 2.735788 -3.151609 3.391761 ESP Fit Center 5946 is at 3.148493 -3.237370 3.391761 ESP Fit Center 5947 is at 3.569032 -3.208605 3.391761 ESP Fit Center 5948 is at 3.966216 -3.067446 3.391761 ESP Fit Center 5949 is at 4.310587 -2.824362 3.391761 ESP Fit Center 5950 is at 2.722380 0.082973 3.109876 ESP Fit Center 5951 is at 2.327108 -0.087531 3.109876 ESP Fit Center 5952 is at 1.981811 -0.344594 3.109876 ESP Fit Center 5953 is at 1.705105 -0.674360 3.109876 ESP Fit Center 5954 is at 1.511907 -1.059049 3.109876 ESP Fit Center 5955 is at 1.412632 -1.477924 3.109876 ESP Fit Center 5956 is at 1.412632 -1.908402 3.109876 ESP Fit Center 5957 is at 1.511907 -2.327276 3.109876 ESP Fit Center 5958 is at 1.705105 -2.711966 3.109876 ESP Fit Center 5959 is at 1.981811 -3.041731 3.109876 ESP Fit Center 5960 is at 2.327108 -3.298795 3.109876 ESP Fit Center 5961 is at 2.722380 -3.469298 3.109876 ESP Fit Center 5962 is at 3.146318 -3.544050 3.109876 ESP Fit Center 5963 is at 3.576068 -3.519020 3.109876 ESP Fit Center 5964 is at 3.988461 -3.395558 3.109876 ESP Fit Center 5965 is at 4.361266 -3.180318 3.109876 ESP Fit Center 5966 is at 1.155284 -1.906593 2.781436 ESP Fit Center 5967 is at 1.241211 -2.324717 2.781436 ESP Fit Center 5968 is at 1.409546 -2.716985 2.781436 ESP Fit Center 5969 is at 1.653399 -3.067337 2.781436 ESP Fit Center 5970 is at 1.962785 -3.361430 2.781436 ESP Fit Center 5971 is at 2.325038 -3.587225 2.781436 ESP Fit Center 5972 is at 2.725328 -3.735476 2.781436 ESP Fit Center 5973 is at 3.147267 -3.800114 2.781436 ESP Fit Center 5974 is at 3.573581 -3.778494 2.781436 ESP Fit Center 5975 is at 3.986816 -3.671500 2.781436 ESP Fit Center 5976 is at 4.370054 -3.483513 2.781436 ESP Fit Center 5977 is at 4.707605 -3.222229 2.781436 ESP Fit Center 5978 is at 1.102208 -2.526818 2.415399 ESP Fit Center 5979 is at 1.292032 -2.908036 2.415399 ESP Fit Center 5980 is at 1.548673 -3.247883 2.415399 ESP Fit Center 5981 is at 1.863391 -3.534786 2.415399 ESP Fit Center 5982 is at 2.225468 -3.758975 2.415399 ESP Fit Center 5983 is at 2.622574 -3.912815 2.415399 ESP Fit Center 5984 is at 3.041188 -3.991067 2.415399 ESP Fit Center 5985 is at 3.467052 -3.991067 2.415399 ESP Fit Center 5986 is at 3.885665 -3.912815 2.415399 ESP Fit Center 5987 is at 4.282772 -3.758975 2.415399 ESP Fit Center 5988 is at 4.644849 -3.534786 2.415399 ESP Fit Center 5989 is at 4.959567 -3.247883 2.415399 ESP Fit Center 5990 is at 0.958555 -2.528680 2.021750 ESP Fit Center 5991 is at 1.138516 -2.914607 2.021750 ESP Fit Center 5992 is at 1.382759 -3.263421 2.021750 ESP Fit Center 5993 is at 1.683861 -3.564524 2.021750 ESP Fit Center 5994 is at 2.032676 -3.808766 2.021750 ESP Fit Center 5995 is at 2.418603 -3.988727 2.021750 ESP Fit Center 5996 is at 2.829917 -4.098938 2.021750 ESP Fit Center 5997 is at 3.254120 -4.136051 2.021750 ESP Fit Center 5998 is at 3.678323 -4.098938 2.021750 ESP Fit Center 5999 is at 4.089637 -3.988727 2.021750 ESP Fit Center 6000 is at 4.475564 -3.808766 2.021750 ESP Fit Center 6001 is at 4.824378 -3.564524 2.021750 ESP Fit Center 6002 is at 5.125481 -3.263421 2.021750 ESP Fit Center 6003 is at 0.965667 -2.727609 1.611227 ESP Fit Center 6004 is at 1.173407 -3.099479 1.611227 ESP Fit Center 6005 is at 1.441004 -3.430893 1.611227 ESP Fit Center 6006 is at 1.760762 -3.712315 1.611227 ESP Fit Center 6007 is at 2.123481 -3.935650 1.611227 ESP Fit Center 6008 is at 2.518727 -4.094473 1.611227 ESP Fit Center 6009 is at 2.935128 -4.184214 1.611227 ESP Fit Center 6010 is at 3.360706 -4.202293 1.611227 ESP Fit Center 6011 is at 3.783218 -4.148188 1.611227 ESP Fit Center 6012 is at 4.190509 -4.023457 1.611227 ESP Fit Center 6013 is at 4.570861 -3.831687 1.611227 ESP Fit Center 6014 is at 4.913334 -3.578396 1.611227 ESP Fit Center 6015 is at 5.208073 -3.270870 1.611227 ESP Fit Center 6016 is at 5.446601 -2.917956 1.611227 ESP Fit Center 6017 is at 1.441004 -3.430893 1.195027 ESP Fit Center 6018 is at 1.760762 -3.712315 1.195027 ESP Fit Center 6019 is at 2.123481 -3.935650 1.195027 ESP Fit Center 6020 is at 2.518727 -4.094473 1.195027 ESP Fit Center 6021 is at 2.935128 -4.184214 1.195027 ESP Fit Center 6022 is at 3.360706 -4.202293 1.195027 ESP Fit Center 6023 is at 3.783218 -4.148188 1.195027 ESP Fit Center 6024 is at 4.190509 -4.023457 1.195027 ESP Fit Center 6025 is at 4.570861 -3.831687 1.195027 ESP Fit Center 6026 is at 4.913334 -3.578396 1.195027 ESP Fit Center 6027 is at 3.997633 -1.311494 4.008665 ESP Fit Center 6028 is at 4.419029 -1.311494 3.967161 ESP Fit Center 6029 is at 4.208331 -0.946555 3.967161 ESP Fit Center 6030 is at 3.786936 -0.946555 3.967161 ESP Fit Center 6031 is at 3.576238 -1.311494 3.967161 ESP Fit Center 6032 is at 3.786936 -1.676432 3.967161 ESP Fit Center 6033 is at 4.208331 -1.676432 3.967161 ESP Fit Center 6034 is at 4.824230 -1.311494 3.844245 ESP Fit Center 6035 is at 4.713487 -0.898195 3.844245 ESP Fit Center 6036 is at 4.410932 -0.595640 3.844245 ESP Fit Center 6037 is at 3.997633 -0.484897 3.844245 ESP Fit Center 6038 is at 3.584335 -0.595640 3.844245 ESP Fit Center 6039 is at 3.281780 -0.898195 3.844245 ESP Fit Center 6040 is at 3.997633 -2.138090 3.844245 ESP Fit Center 6041 is at 4.410932 -2.027347 3.844245 ESP Fit Center 6042 is at 4.713487 -1.724792 3.844245 ESP Fit Center 6043 is at 5.197665 -1.311494 3.644639 ESP Fit Center 6044 is at 5.125294 -0.901059 3.644639 ESP Fit Center 6045 is at 4.916911 -0.540128 3.644639 ESP Fit Center 6046 is at 4.597649 -0.272236 3.644639 ESP Fit Center 6047 is at 4.206017 -0.129693 3.644639 ESP Fit Center 6048 is at 3.789250 -0.129693 3.644639 ESP Fit Center 6049 is at 3.397618 -0.272236 3.644639 ESP Fit Center 6050 is at 3.078356 -0.540128 3.644639 ESP Fit Center 6051 is at 4.206017 -2.493294 3.644639 ESP Fit Center 6052 is at 4.597649 -2.350752 3.644639 ESP Fit Center 6053 is at 4.916911 -2.082859 3.644639 ESP Fit Center 6054 is at 5.125294 -1.721929 3.644639 ESP Fit Center 6055 is at 5.524984 -1.311494 3.376016 ESP Fit Center 6056 is at 5.468346 -0.899419 3.376016 ESP Fit Center 6057 is at 5.302631 -0.517907 3.376016 ESP Fit Center 6058 is at 5.040131 -0.195251 3.376016 ESP Fit Center 6059 is at 4.700314 0.044618 3.376016 ESP Fit Center 6060 is at 4.308382 0.183911 3.376016 ESP Fit Center 6061 is at 3.893403 0.212296 3.376016 ESP Fit Center 6062 is at 3.486155 0.127669 3.376016 ESP Fit Center 6063 is at 3.116840 -0.063694 3.376016 ESP Fit Center 6064 is at 4.700314 -2.667606 3.376016 ESP Fit Center 6065 is at 5.040131 -2.427736 3.376016 ESP Fit Center 6066 is at 5.302631 -2.105080 3.376016 ESP Fit Center 6067 is at 5.468346 -1.723568 3.376016 ESP Fit Center 6068 is at 5.793608 -1.311494 3.048697 ESP Fit Center 6069 is at 5.745197 -0.897313 3.048697 ESP Fit Center 6070 is at 5.602575 -0.505462 3.048697 ESP Fit Center 6071 is at 5.373430 -0.157064 3.048697 ESP Fit Center 6072 is at 5.070115 0.129099 3.048697 ESP Fit Center 6073 is at 4.708983 0.337599 3.048697 ESP Fit Center 6074 is at 4.309501 0.457196 3.048697 ESP Fit Center 6075 is at 3.893207 0.481442 3.048697 ESP Fit Center 6076 is at 3.482542 0.409031 3.048697 ESP Fit Center 6077 is at 3.099646 0.243866 3.048697 ESP Fit Center 6078 is at 4.708983 -2.960586 3.048697 ESP Fit Center 6079 is at 5.070115 -2.752086 3.048697 ESP Fit Center 6080 is at 5.373430 -2.465924 3.048697 ESP Fit Center 6081 is at 5.602575 -2.117525 3.048697 ESP Fit Center 6082 is at 5.745197 -1.725674 3.048697 ESP Fit Center 6083 is at 5.993213 -1.311494 2.675261 ESP Fit Center 6084 is at 5.949605 -0.896589 2.675261 ESP Fit Center 6085 is at 5.820686 -0.499818 2.675261 ESP Fit Center 6086 is at 5.612091 -0.138521 2.675261 ESP Fit Center 6087 is at 5.332937 0.171511 2.675261 ESP Fit Center 6088 is at 4.995423 0.416729 2.675261 ESP Fit Center 6089 is at 4.614302 0.586416 2.675261 ESP Fit Center 6090 is at 4.206228 0.673154 2.675261 ESP Fit Center 6091 is at 3.789039 0.673154 2.675261 ESP Fit Center 6092 is at 3.380965 0.586416 2.675261 ESP Fit Center 6093 is at 4.995423 -3.039716 2.675261 ESP Fit Center 6094 is at 5.332937 -2.794498 2.675261 ESP Fit Center 6095 is at 5.612091 -2.484466 2.675261 ESP Fit Center 6096 is at 5.820686 -2.123169 2.675261 ESP Fit Center 6097 is at 5.949605 -1.726398 2.675261 ESP Fit Center 6098 is at 6.116130 -1.311494 2.270060 ESP Fit Center 6099 is at 6.075423 -0.898195 2.270060 ESP Fit Center 6100 is at 5.954869 -0.500780 2.270060 ESP Fit Center 6101 is at 5.759099 -0.134520 2.270060 ESP Fit Center 6102 is at 5.495636 0.186509 2.270060 ESP Fit Center 6103 is at 5.174607 0.449972 2.270060 ESP Fit Center 6104 is at 4.808347 0.645742 2.270060 ESP Fit Center 6105 is at 4.410932 0.766296 2.270060 ESP Fit Center 6106 is at 5.495636 -2.809497 2.270060 ESP Fit Center 6107 is at 5.759099 -2.488467 2.270060 ESP Fit Center 6108 is at 5.954869 -2.122207 2.270060 ESP Fit Center 6109 is at 6.075423 -1.724792 2.270060 ESP Fit Center 6110 is at 6.157633 -1.311494 1.848665 ESP Fit Center 6111 is at 6.118599 -0.902711 1.848665 ESP Fit Center 6112 is at 6.002908 -0.508703 1.848665 ESP Fit Center 6113 is at 5.814741 -0.143709 1.848665 ESP Fit Center 6114 is at 5.560899 0.179077 1.848665 ESP Fit Center 6115 is at 5.560899 -2.802064 1.848665 ESP Fit Center 6116 is at 5.814741 -2.479278 1.848665 ESP Fit Center 6117 is at 6.002908 -2.114285 1.848665 ESP Fit Center 6118 is at 6.118599 -1.720276 1.848665 ESP Fit Center 6119 is at 5.954869 -2.122207 1.427270 ESP Fit Center 6120 is at 6.075423 -1.724792 1.427270 ESP Fit Center 6121 is at -6.016341 -2.442975 -1.435163 ESP Fit Center 6122 is at -5.975634 -2.856273 -1.435163 ESP Fit Center 6123 is at -5.855080 -3.253688 -1.435163 ESP Fit Center 6124 is at -5.659310 -3.619948 -1.435163 ESP Fit Center 6125 is at -5.395847 -3.940978 -1.435163 ESP Fit Center 6126 is at -5.074818 -4.204440 -1.435163 ESP Fit Center 6127 is at -4.708558 -4.400210 -1.435163 ESP Fit Center 6128 is at -4.311143 -4.520765 -1.435163 ESP Fit Center 6129 is at -3.897844 -4.561471 -1.435163 ESP Fit Center 6130 is at -3.484546 -4.520765 -1.435163 ESP Fit Center 6131 is at -3.087131 -4.400210 -1.435163 ESP Fit Center 6132 is at -2.720871 -4.204440 -1.435163 ESP Fit Center 6133 is at -2.399841 -3.940978 -1.435163 ESP Fit Center 6134 is at -2.136379 -3.619948 -1.435163 ESP Fit Center 6135 is at -1.940609 -3.253688 -1.435163 ESP Fit Center 6136 is at -5.893424 -2.442975 -1.840364 ESP Fit Center 6137 is at -5.849816 -2.857879 -1.840364 ESP Fit Center 6138 is at -5.720897 -3.254650 -1.840364 ESP Fit Center 6139 is at -5.512302 -3.615947 -1.840364 ESP Fit Center 6140 is at -5.233148 -3.925979 -1.840364 ESP Fit Center 6141 is at -4.895634 -4.171197 -1.840364 ESP Fit Center 6142 is at -4.514512 -4.340884 -1.840364 ESP Fit Center 6143 is at -4.106439 -4.427622 -1.840364 ESP Fit Center 6144 is at -3.689250 -4.427622 -1.840364 ESP Fit Center 6145 is at -3.281176 -4.340884 -1.840364 ESP Fit Center 6146 is at -2.900055 -4.171197 -1.840364 ESP Fit Center 6147 is at -2.562541 -3.925979 -1.840364 ESP Fit Center 6148 is at -2.283386 -3.615947 -1.840364 ESP Fit Center 6149 is at -2.074792 -3.254650 -1.840364 ESP Fit Center 6150 is at -1.945873 -2.857879 -1.840364 ESP Fit Center 6151 is at -2.101870 -2.442975 -2.213800 ESP Fit Center 6152 is at -5.681675 -2.234475 -2.213800 ESP Fit Center 6153 is at -5.681675 -2.651475 -2.213800 ESP Fit Center 6154 is at -5.585508 -3.057234 -2.213800 ESP Fit Center 6155 is at -5.398359 -3.429879 -2.213800 ESP Fit Center 6156 is at -5.130317 -3.749319 -2.213800 ESP Fit Center 6157 is at -4.795832 -3.998334 -2.213800 ESP Fit Center 6158 is at -4.412936 -4.163499 -2.213800 ESP Fit Center 6159 is at -4.002271 -4.235910 -2.213800 ESP Fit Center 6160 is at -3.585977 -4.211664 -2.213800 ESP Fit Center 6161 is at -3.186495 -4.092067 -2.213800 ESP Fit Center 6162 is at -2.825363 -3.883567 -2.213800 ESP Fit Center 6163 is at -2.522048 -3.597405 -2.213800 ESP Fit Center 6164 is at -2.292903 -3.249006 -2.213800 ESP Fit Center 6165 is at -2.150281 -2.857155 -2.213800 ESP Fit Center 6166 is at -2.370494 -2.442975 -2.541119 ESP Fit Center 6167 is at -2.427132 -2.030900 -2.541119 ESP Fit Center 6168 is at -5.298748 -1.834476 -2.541119 ESP Fit Center 6169 is at -5.410969 -2.235000 -2.541119 ESP Fit Center 6170 is at -5.410969 -2.650949 -2.541119 ESP Fit Center 6171 is at -5.298748 -3.051473 -2.541119 ESP Fit Center 6172 is at -5.082628 -3.406867 -2.541119 ESP Fit Center 6173 is at -4.778637 -3.690774 -2.541119 ESP Fit Center 6174 is at -4.409323 -3.882137 -2.541119 ESP Fit Center 6175 is at -4.002075 -3.966765 -2.541119 ESP Fit Center 6176 is at -3.587096 -3.938379 -2.541119 ESP Fit Center 6177 is at -3.195164 -3.799087 -2.541119 ESP Fit Center 6178 is at -2.855346 -3.559217 -2.541119 ESP Fit Center 6179 is at -2.592846 -3.236562 -2.541119 ESP Fit Center 6180 is at -2.427132 -2.855049 -2.541119 ESP Fit Center 6181 is at -2.697813 -2.442975 -2.809743 ESP Fit Center 6182 is at -2.770183 -2.032540 -2.809743 ESP Fit Center 6183 is at -5.025505 -2.032540 -2.809743 ESP Fit Center 6184 is at -5.097876 -2.442975 -2.809743 ESP Fit Center 6185 is at -5.025505 -2.853410 -2.809743 ESP Fit Center 6186 is at -4.817122 -3.214340 -2.809743 ESP Fit Center 6187 is at -4.497860 -3.482233 -2.809743 ESP Fit Center 6188 is at -4.106228 -3.624775 -2.809743 ESP Fit Center 6189 is at -3.689461 -3.624775 -2.809743 ESP Fit Center 6190 is at -3.297829 -3.482233 -2.809743 ESP Fit Center 6191 is at -2.978567 -3.214340 -2.809743 ESP Fit Center 6192 is at -2.770183 -2.853410 -2.809743 ESP Fit Center 6193 is at -3.071248 -2.442975 -3.009348 ESP Fit Center 6194 is at -3.181991 -2.029677 -3.009348 ESP Fit Center 6195 is at -3.484546 -1.727121 -3.009348 ESP Fit Center 6196 is at -3.897844 -1.616378 -3.009348 ESP Fit Center 6197 is at -4.311143 -1.727121 -3.009348 ESP Fit Center 6198 is at -4.613698 -2.029677 -3.009348 ESP Fit Center 6199 is at -4.724441 -2.442975 -3.009348 ESP Fit Center 6200 is at -4.613698 -2.856273 -3.009348 ESP Fit Center 6201 is at -4.311143 -3.158828 -3.009348 ESP Fit Center 6202 is at -3.897844 -3.269571 -3.009348 ESP Fit Center 6203 is at -3.484546 -3.158828 -3.009348 ESP Fit Center 6204 is at -3.181991 -2.856273 -3.009348 ESP Fit Center 6205 is at -3.476449 -2.442975 -3.132264 ESP Fit Center 6206 is at -3.687147 -2.078036 -3.132264 ESP Fit Center 6207 is at -4.108542 -2.078036 -3.132264 ESP Fit Center 6208 is at -4.319240 -2.442975 -3.132264 ESP Fit Center 6209 is at -4.108542 -2.807913 -3.132264 ESP Fit Center 6210 is at -3.687147 -2.807913 -3.132264 ESP Fit Center 6211 is at -3.897844 -2.442975 -3.173768 ESP Fit Center 6212 is at -2.099824 -0.662715 3.355430 ESP Fit Center 6213 is at -2.907663 -2.061932 3.355430 ESP Fit Center 6214 is at -2.573045 -1.805171 3.355430 ESP Fit Center 6215 is at -2.316284 -1.470553 3.355430 ESP Fit Center 6216 is at -2.154877 -1.080883 3.355430 ESP Fit Center 6217 is at -1.908296 0.141905 3.146108 ESP Fit Center 6218 is at -3.922283 -2.630110 3.146108 ESP Fit Center 6219 is at -3.508720 -2.630110 3.146108 ESP Fit Center 6220 is at -3.104194 -2.544125 3.146108 ESP Fit Center 6221 is at -2.726385 -2.375914 3.146108 ESP Fit Center 6222 is at -2.391805 -2.132828 3.146108 ESP Fit Center 6223 is at -2.115078 -1.825490 3.146108 ESP Fit Center 6224 is at -2.272724 1.146471 2.896112 ESP Fit Center 6225 is at -4.624975 -2.790535 2.896112 ESP Fit Center 6226 is at -4.230422 -2.918732 2.896112 ESP Fit Center 6227 is at -3.819320 -2.974420 2.896112 ESP Fit Center 6228 is at -3.404881 -2.955808 2.896112 ESP Fit Center 6229 is at -3.000425 -2.863493 2.896112 ESP Fit Center 6230 is at -2.618952 -2.700444 2.896112 ESP Fit Center 6231 is at -2.272724 -2.471900 2.896112 ESP Fit Center 6232 is at -2.526706 1.670426 2.608822 ESP Fit Center 6233 is at -5.254643 -2.781162 2.608822 ESP Fit Center 6234 is at -4.904296 -2.995855 2.608822 ESP Fit Center 6235 is at -4.524676 -3.153099 2.608822 ESP Fit Center 6236 is at -4.125132 -3.249021 2.608822 ESP Fit Center 6237 is at -3.715501 -3.281260 2.608822 ESP Fit Center 6238 is at -3.305870 -3.249021 2.608822 ESP Fit Center 6239 is at -2.906326 -3.153099 2.608822 ESP Fit Center 6240 is at -2.526706 -2.995855 2.608822 ESP Fit Center 6241 is at -2.176359 -2.781162 2.608822 ESP Fit Center 6242 is at -2.515931 1.963978 2.288123 ESP Fit Center 6243 is at -2.901958 2.107959 2.288123 ESP Fit Center 6244 is at -3.304547 2.195537 2.288123 ESP Fit Center 6245 is at -6.144741 -2.223893 2.288123 ESP Fit Center 6246 is at -5.897836 -2.553719 2.288123 ESP Fit Center 6247 is at -5.606505 -2.845050 2.288123 ESP Fit Center 6248 is at -5.276679 -3.091955 2.288123 ESP Fit Center 6249 is at -2.515931 -3.289408 2.288123 ESP Fit Center 6250 is at -2.154323 -3.091955 2.288123 ESP Fit Center 6251 is at -2.594979 2.246655 1.938352 ESP Fit Center 6252 is at -2.992757 2.370047 1.938352 ESP Fit Center 6253 is at -3.403434 2.439319 1.938352 ESP Fit Center 6254 is at -3.819679 2.453236 1.938352 ESP Fit Center 6255 is at -4.234065 2.411548 1.938352 ESP Fit Center 6256 is at -6.660688 -1.685395 1.938352 ESP Fit Center 6257 is at -6.498099 -2.068825 1.938352 ESP Fit Center 6258 is at -6.285856 -2.427163 1.938352 ESP Fit Center 6259 is at -6.027744 -2.754015 1.938352 ESP Fit Center 6260 is at -5.728370 -3.043547 1.938352 ESP Fit Center 6261 is at -2.217195 -3.396774 1.938352 ESP Fit Center 6262 is at -1.866150 -3.172675 1.938352 ESP Fit Center 6263 is at -3.096098 2.584312 1.564239 ESP Fit Center 6264 is at -3.507942 2.636340 1.564239 ESP Fit Center 6265 is at -3.923060 2.636340 1.564239 ESP Fit Center 6266 is at -4.334905 2.584312 1.564239 ESP Fit Center 6267 is at -4.736981 2.481077 1.564239 ESP Fit Center 6268 is at -5.122948 2.328262 1.564239 ESP Fit Center 6269 is at -7.021079 -0.662715 1.564239 ESP Fit Center 6270 is at -6.995014 -1.077013 1.564239 ESP Fit Center 6271 is at -6.917228 -1.484779 1.564239 ESP Fit Center 6272 is at -6.788950 -1.879579 1.564239 ESP Fit Center 6273 is at -6.612201 -2.255189 1.564239 ESP Fit Center 6274 is at -6.389770 -2.605685 1.564239 ESP Fit Center 6275 is at -6.125164 -2.925539 1.564239 ESP Fit Center 6276 is at -3.299799 2.760902 1.170844 ESP Fit Center 6277 is at -3.715501 2.786048 1.170844 ESP Fit Center 6278 is at -4.131203 2.760902 1.170844 ESP Fit Center 6279 is at -4.540844 2.685833 1.170844 ESP Fit Center 6280 is at -4.938449 2.561934 1.170844 ESP Fit Center 6281 is at -5.318221 2.391013 1.170844 ESP Fit Center 6282 is at -5.674621 2.175561 1.170844 ESP Fit Center 6283 is at -6.002453 1.918721 1.170844 ESP Fit Center 6284 is at -6.296937 1.624238 1.170844 ESP Fit Center 6285 is at -6.553777 1.296406 1.170844 ESP Fit Center 6286 is at -6.769228 0.940005 1.170844 ESP Fit Center 6287 is at -6.940150 0.560233 1.170844 ESP Fit Center 6288 is at -7.064049 0.162628 1.170844 ESP Fit Center 6289 is at -7.139118 -0.247012 1.170844 ESP Fit Center 6290 is at -7.164263 -0.662715 1.170844 ESP Fit Center 6291 is at -7.139118 -1.078417 1.170844 ESP Fit Center 6292 is at -7.064049 -1.488058 1.170844 ESP Fit Center 6293 is at -6.940150 -1.885663 1.170844 ESP Fit Center 6294 is at -6.769228 -2.265434 1.170844 ESP Fit Center 6295 is at -6.553777 -2.621835 1.170844 ESP Fit Center 6296 is at -6.296937 -2.949667 1.170844 ESP Fit Center 6297 is at -3.509360 2.876595 0.763486 ESP Fit Center 6298 is at -3.921642 2.876595 0.763486 ESP Fit Center 6299 is at -4.331137 2.828732 0.763486 ESP Fit Center 6300 is at -4.732307 2.733653 0.763486 ESP Fit Center 6301 is at -5.119726 2.592644 0.763486 ESP Fit Center 6302 is at -5.488155 2.407612 0.763486 ESP Fit Center 6303 is at -5.832612 2.181059 0.763486 ESP Fit Center 6304 is at -6.148439 1.916049 0.763486 ESP Fit Center 6305 is at -6.431365 1.616165 0.763486 ESP Fit Center 6306 is at -6.677563 1.285464 0.763486 ESP Fit Center 6307 is at -6.883704 0.928417 0.763486 ESP Fit Center 6308 is at -7.047001 0.549852 0.763486 ESP Fit Center 6309 is at -7.165245 0.154890 0.763486 ESP Fit Center 6310 is at -7.236837 -0.251130 0.763486 ESP Fit Center 6311 is at -7.260809 -0.662715 0.763486 ESP Fit Center 6312 is at -7.236837 -1.074300 0.763486 ESP Fit Center 6313 is at -7.165245 -1.480319 0.763486 ESP Fit Center 6314 is at -7.047001 -1.875281 0.763486 ESP Fit Center 6315 is at -6.883704 -2.253846 0.763486 ESP Fit Center 6316 is at -6.677563 -2.610893 0.763486 ESP Fit Center 6317 is at -3.506534 2.925114 0.347674 ESP Fit Center 6318 is at -3.924468 2.925114 0.347674 ESP Fit Center 6319 is at -4.339577 2.876595 0.347674 ESP Fit Center 6320 is at -4.746246 2.780213 0.347674 ESP Fit Center 6321 is at -5.138976 2.637271 0.347674 ESP Fit Center 6322 is at -5.512456 2.449702 0.347674 ESP Fit Center 6323 is at -5.861635 2.220043 0.347674 ESP Fit Center 6324 is at -6.181791 1.951400 0.347674 ESP Fit Center 6325 is at -6.468595 1.647406 0.347674 ESP Fit Center 6326 is at -6.718169 1.312171 0.347674 ESP Fit Center 6327 is at -6.927136 0.950229 0.347674 ESP Fit Center 6328 is at -7.092671 0.566475 0.347674 ESP Fit Center 6329 is at -7.212536 0.166098 0.347674 ESP Fit Center 6330 is at -7.285110 -0.245487 0.347674 ESP Fit Center 6331 is at -7.309410 -0.662715 0.347674 ESP Fit Center 6332 is at -7.285110 -1.079942 0.347674 ESP Fit Center 6333 is at -7.212536 -1.491527 0.347674 ESP Fit Center 6334 is at -7.092671 -1.891904 0.347674 ESP Fit Center 6335 is at -6.927136 -2.275658 0.347674 ESP Fit Center 6336 is at -6.718169 -2.637600 0.347674 ESP Fit Center 6337 is at -3.506534 2.925114 -0.070969 ESP Fit Center 6338 is at -3.924468 2.925114 -0.070969 ESP Fit Center 6339 is at -4.339577 2.876595 -0.070969 ESP Fit Center 6340 is at -4.746246 2.780213 -0.070969 ESP Fit Center 6341 is at -5.138976 2.637271 -0.070969 ESP Fit Center 6342 is at -5.512456 2.449702 -0.070969 ESP Fit Center 6343 is at -5.861635 2.220043 -0.070969 ESP Fit Center 6344 is at -6.181791 1.951400 -0.070969 ESP Fit Center 6345 is at -6.468595 1.647406 -0.070969 ESP Fit Center 6346 is at -6.718169 1.312171 -0.070969 ESP Fit Center 6347 is at -6.927136 0.950229 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4.022555 ESP Fit Center 6438 is at -5.345937 0.056422 4.022555 ESP Fit Center 6439 is at -5.419203 -0.359090 4.022555 ESP Fit Center 6440 is at -5.345937 -0.774601 4.022555 ESP Fit Center 6441 is at -5.134976 -1.139996 4.022555 ESP Fit Center 6442 is at -4.811765 -1.411202 4.022555 ESP Fit Center 6443 is at -4.415289 -1.555508 4.022555 ESP Fit Center 6444 is at -3.993367 -1.555508 4.022555 ESP Fit Center 6445 is at -3.596891 -1.411202 4.022555 ESP Fit Center 6446 is at -3.273680 -1.139996 4.022555 ESP Fit Center 6447 is at -3.062719 -0.774601 4.022555 ESP Fit Center 6448 is at -2.627032 -0.359090 3.813311 ESP Fit Center 6449 is at -2.680777 0.049145 3.813311 ESP Fit Center 6450 is at -2.838350 0.429558 3.813311 ESP Fit Center 6451 is at -3.089011 0.756227 3.813311 ESP Fit Center 6452 is at -3.415680 1.006889 3.813311 ESP Fit Center 6453 is at -3.796094 1.164461 3.813311 ESP Fit Center 6454 is at -4.204328 1.218206 3.813311 ESP Fit Center 6455 is at -4.612562 1.164461 3.813311 ESP Fit Center 6456 is at -4.992976 1.006889 3.813311 ESP Fit Center 6457 is at -5.319645 0.756227 3.813311 ESP Fit Center 6458 is at -5.570307 0.429558 3.813311 ESP Fit Center 6459 is at -5.727879 0.049145 3.813311 ESP Fit Center 6460 is at -5.781624 -0.359090 3.813311 ESP Fit Center 6461 is at -5.727879 -0.767324 3.813311 ESP Fit Center 6462 is at -5.570307 -1.147738 3.813311 ESP Fit Center 6463 is at -5.319645 -1.474407 3.813311 ESP Fit Center 6464 is at -4.992976 -1.725068 3.813311 ESP Fit Center 6465 is at -4.612562 -1.882641 3.813311 ESP Fit Center 6466 is at -4.204328 -1.936386 3.813311 ESP Fit Center 6467 is at -3.796094 -1.882641 3.813311 ESP Fit Center 6468 is at -3.415680 -1.725068 3.813311 ESP Fit Center 6469 is at -3.089011 -1.474407 3.813311 ESP Fit Center 6470 is at -2.838350 -1.147738 3.813311 ESP Fit Center 6471 is at -2.680777 -0.767324 3.813311 ESP Fit Center 6472 is at -2.299844 -0.359090 3.552388 ESP Fit Center 6473 is at -2.344370 0.050318 3.552388 ESP Fit Center 6474 is 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Center 6511 is at -5.637902 1.295343 3.245614 ESP Fit Center 6512 is at -5.925099 0.994140 3.245614 ESP Fit Center 6513 is at -6.150103 0.644027 3.245614 ESP Fit Center 6514 is at -6.304781 0.257659 3.245614 ESP Fit Center 6515 is at -6.383544 -0.151000 3.245614 ESP Fit Center 6516 is at -6.383544 -0.567180 3.245614 ESP Fit Center 6517 is at -6.304781 -0.975838 3.245614 ESP Fit Center 6518 is at -6.150103 -1.362206 3.245614 ESP Fit Center 6519 is at -5.925099 -1.712319 3.245614 ESP Fit Center 6520 is at -5.637902 -2.013522 3.245614 ESP Fit Center 6521 is at -5.298892 -2.254930 3.245614 ESP Fit Center 6522 is at -4.920322 -2.427818 3.245614 ESP Fit Center 6523 is at -4.515873 -2.525936 3.245614 ESP Fit Center 6524 is at -4.100165 -2.545738 3.245614 ESP Fit Center 6525 is at -3.688222 -2.486510 3.245614 ESP Fit Center 6526 is at -2.602277 1.461194 2.899842 ESP Fit Center 6527 is at -2.932950 1.705759 2.899842 ESP Fit Center 6528 is at -3.300199 1.890922 2.899842 ESP Fit Center 6529 is at 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2.899842 ESP Fit Center 6548 is at -3.021026 1.963271 2.522797 ESP Fit Center 6549 is at -3.398892 2.119788 2.522797 ESP Fit Center 6550 is at -3.796590 2.215267 2.522797 ESP Fit Center 6551 is at -4.204328 2.247357 2.522797 ESP Fit Center 6552 is at -4.612066 2.215267 2.522797 ESP Fit Center 6553 is at -5.009764 2.119788 2.522797 ESP Fit Center 6554 is at -5.387630 1.963271 2.522797 ESP Fit Center 6555 is at -5.736359 1.749570 2.522797 ESP Fit Center 6556 is at -6.047364 1.483946 2.522797 ESP Fit Center 6557 is at -6.312988 1.172941 2.522797 ESP Fit Center 6558 is at -6.526689 0.824212 2.522797 ESP Fit Center 6559 is at -6.683206 0.446347 2.522797 ESP Fit Center 6560 is at -6.778685 0.048648 2.522797 ESP Fit Center 6561 is at -6.810775 -0.359090 2.522797 ESP Fit Center 6562 is at -6.778685 -0.766828 2.522797 ESP Fit Center 6563 is at -6.683206 -1.164526 2.522797 ESP Fit Center 6564 is at -6.526689 -1.542392 2.522797 ESP Fit Center 6565 is at -6.312988 -1.891121 2.522797 ESP Fit Center 6566 is at -6.047364 -2.202126 2.522797 ESP Fit Center 6567 is at -5.736359 -2.467749 2.522797 ESP Fit Center 6568 is at -4.099769 2.368705 2.122901 ESP Fit Center 6569 is at -4.517391 2.352697 2.122901 ESP Fit Center 6570 is at -4.927674 2.273128 2.122901 ESP Fit Center 6571 is at -5.321003 2.131861 2.122901 ESP Fit Center 6572 is at -5.688158 1.932208 2.122901 ESP Fit Center 6573 is at -6.020533 1.678850 2.122901 ESP Fit Center 6574 is at -6.310338 1.377724 2.122901 ESP Fit Center 6575 is at -6.550780 1.035888 2.122901 ESP Fit Center 6576 is at -6.736223 0.661355 2.122901 ESP Fit Center 6577 is at -6.862320 0.262904 2.122901 ESP Fit Center 6578 is at -6.926116 -0.150126 2.122901 ESP Fit Center 6579 is at -6.926116 -0.568054 2.122901 ESP Fit Center 6580 is at -6.862320 -0.981084 2.122901 ESP Fit Center 6581 is at -6.736223 -1.379535 2.122901 ESP Fit Center 6582 is at -6.550780 -1.754068 2.122901 ESP Fit Center 6583 is at -5.224423 2.240069 1.709087 ESP Fit Center 6584 is at -5.600413 2.059001 1.709087 ESP Fit Center 6585 is at -5.945218 1.823917 1.709087 ESP Fit Center 6586 is at -6.251134 1.540069 1.709087 ESP Fit Center 6587 is at -6.511328 1.213796 1.709087 ESP Fit Center 6588 is at -6.719987 0.852388 1.709087 ESP Fit Center 6589 is at -6.872450 0.463917 1.709087 ESP Fit Center 6590 is at -6.965312 0.057062 1.709087 ESP Fit Center 6591 is at -6.996499 -0.359090 1.709087 ESP Fit Center 6592 is at -6.965312 -0.775241 1.709087 ESP Fit Center 6593 is at -5.754320 2.260751 -0.461769 ESP Fit Center 6594 is at -6.086695 2.007393 -0.461769 ESP Fit Center 6595 is at -6.376500 1.706267 -0.461769 ESP Fit Center 6596 is at -4.479150 2.753816 -0.875584 ESP Fit Center 6597 is at -4.891807 2.691618 -0.875584 ESP Fit Center 6598 is at -5.290585 2.568612 -0.875584 ESP Fit Center 6599 is at -5.666576 2.387544 -0.875584 ESP Fit Center 6600 is at -6.011380 2.152460 -0.875584 ESP Fit Center 6601 is at -6.317296 1.868612 -0.875584 ESP Fit Center 6602 is at -6.577490 1.542339 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ESP Fit Center 6963 is at -0.642389 -3.237320 1.344014 ESP Fit Center 6964 is at -0.252755 -3.070783 1.344014 ESP Fit Center 6965 is at -1.372762 -3.389461 0.927259 ESP Fit Center 6966 is at -0.956007 -3.353000 0.927259 ESP Fit Center 6967 is at -0.551914 -3.244724 0.927259 ESP Fit Center 6968 is at -0.172762 -3.067922 0.927259 ESP Fit Center 6969 is at -0.642389 -3.237320 0.510503 ESP Fit Center 6970 is at -0.252755 -3.070783 0.510503 ESP Fit Center 6971 is at 0.100880 -2.837350 0.510503 ESP Fit Center 6972 is at -0.525090 -2.493279 -1.763202 ESP Fit Center 6973 is at -1.240077 -2.422068 -2.138758 ESP Fit Center 6974 is at -0.823390 -2.389274 -2.138758 ESP Fit Center 6975 is at -0.416962 -2.291700 -2.138758 ESP Fit Center 6976 is at -1.551387 -2.189471 -2.488604 ESP Fit Center 6977 is at -1.136058 -2.207114 -2.488604 ESP Fit Center 6978 is at -0.723721 -2.154312 -2.488604 ESP Fit Center 6979 is at -1.957176 -1.830334 -2.806222 ESP Fit Center 6980 is at -1.552104 -1.928604 -2.806222 ESP Fit Center 6981 is at -1.135754 -1.948437 -2.806222 ESP Fit Center 6982 is at -0.723174 -1.889117 -2.806222 ESP Fit Center 6983 is at -1.940847 -1.517211 -3.085697 ESP Fit Center 6984 is at -1.546373 -1.626735 -3.085697 ESP Fit Center 6985 is at -1.137578 -1.648900 -3.085697 ESP Fit Center 6986 is at -0.733576 -1.582667 -3.085697 ESP Fit Center 6987 is at -2.449219 -0.742122 -3.321821 ESP Fit Center 6988 is at -2.138979 -1.031866 -3.321821 ESP Fit Center 6989 is at -1.762072 -1.227163 -3.321821 ESP Fit Center 6990 is at -1.346450 -1.313531 -3.321821 ESP Fit Center 6991 is at -0.922940 -1.284562 -3.321821 ESP Fit Center 6992 is at -1.837679 -0.793489 -3.510197 ESP Fit Center 6993 is at -1.447622 -0.935458 -3.510197 ESP Fit Center 6994 is at -1.032532 -0.935458 -3.510197 ESP Fit Center 6995 is at -1.644772 -0.459365 -3.647315 ESP Fit Center 6996 is at -1.240077 -0.567803 -3.647315 ESP Fit Center 6997 is at -0.835382 -0.459365 -3.647315 ESP Fit Center 6998 is at -0.831577 0.241588 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ESP Fit Center 7017 is at -2.733645 2.317496 -3.074432 ESP Fit Center 7018 is at -3.076052 2.062584 -3.074432 ESP Fit Center 7019 is at -3.350442 1.735579 -3.074432 ESP Fit Center 7020 is at -1.500522 2.235726 -3.370248 ESP Fit Center 7021 is at -1.919669 2.264397 -3.370248 ESP Fit Center 7022 is at -2.331008 2.178920 -3.370248 ESP Fit Center 7023 is at -2.704031 1.985634 -3.370248 ESP Fit Center 7024 is at -3.011074 1.698876 -3.370248 ESP Fit Center 7025 is at -3.229365 1.339912 -3.370248 ESP Fit Center 7026 is at -2.704031 -0.535029 -3.370248 ESP Fit Center 7027 is at -0.895139 1.496648 -3.610203 ESP Fit Center 7028 is at -1.214392 1.764533 -3.610203 ESP Fit Center 7029 is at -1.606014 1.907072 -3.610203 ESP Fit Center 7030 is at -2.022770 1.907072 -3.610203 ESP Fit Center 7031 is at -2.414392 1.764533 -3.610203 ESP Fit Center 7032 is at -2.733645 1.496648 -3.610203 ESP Fit Center 7033 is at -2.942023 1.135727 -3.610203 ESP Fit Center 7034 is at -3.014392 0.725303 -3.610203 ESP Fit Center 7035 is at -2.942023 0.314879 -3.610203 ESP Fit Center 7036 is at -2.733645 -0.046042 -3.610203 ESP Fit Center 7037 is at -2.414392 -0.313928 -3.610203 ESP Fit Center 7038 is at -2.022770 -0.456466 -3.610203 ESP Fit Center 7039 is at -0.993544 0.725303 -3.787004 ESP Fit Center 7040 is at -1.103517 1.135727 -3.787004 ESP Fit Center 7041 is at -1.403968 1.436178 -3.787004 ESP Fit Center 7042 is at -1.814392 1.546151 -3.787004 ESP Fit Center 7043 is at -2.224816 1.436178 -3.787004 ESP Fit Center 7044 is at -2.525268 1.135727 -3.787004 ESP Fit Center 7045 is at -2.635240 0.725303 -3.787004 ESP Fit Center 7046 is at -2.525268 0.314879 -3.787004 ESP Fit Center 7047 is at -2.224816 0.014427 -3.787004 ESP Fit Center 7048 is at -1.814392 -0.095546 -3.787004 ESP Fit Center 7049 is at -1.403968 0.014427 -3.787004 ESP Fit Center 7050 is at -1.103517 0.314879 -3.787004 ESP Fit Center 7051 is at -1.397636 0.725303 -3.895280 ESP Fit Center 7052 is at -1.606014 1.086224 -3.895280 ESP Fit Center 7053 is at -2.022770 1.086224 -3.895280 ESP Fit Center 7054 is at -2.231148 0.725303 -3.895280 ESP Fit Center 7055 is at -2.022770 0.364382 -3.895280 ESP Fit Center 7056 is at -1.606014 0.364382 -3.895280 ESP Fit Center 7057 is at -1.814392 0.725303 -3.931742 ESP Fit Center 7058 is at -0.456784 0.934644 -3.750976 ESP Fit Center 7059 is at -0.565222 0.529949 -3.750976 ESP Fit Center 7060 is at 0.039918 0.883720 -3.834282 ESP Fit Center 7061 is at -0.063067 -2.143346 -2.513181 ESP Fit Center 7062 is at -0.240785 -1.878173 -2.892333 ESP Fit Center 7063 is at 0.153586 -2.024232 -2.892333 ESP Fit Center 7064 is at 2.317507 0.812999 -3.235023 ESP Fit Center 7065 is at -0.587103 -1.349403 -3.235023 ESP Fit Center 7066 is at -0.244696 -1.604315 -3.235023 ESP Fit Center 7067 is at 0.147268 -1.773392 -3.235023 ESP Fit Center 7068 is at 0.567658 -1.847518 -3.235023 ESP Fit Center 7069 is at 2.217248 -0.012122 -3.530839 ESP Fit Center 7070 is at 2.160040 0.404091 -3.530839 ESP Fit Center 7071 is 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-0.012122 -4.055871 ESP Fit Center 7108 is at 0.882935 0.348799 -4.055871 ESP Fit Center 7109 is at 0.466179 0.348799 -4.055871 ESP Fit Center 7110 is at 0.257802 -0.012122 -4.055871 ESP Fit Center 7111 is at 0.466179 -0.373043 -4.055871 ESP Fit Center 7112 is at 0.882935 -0.373043 -4.055871 ESP Fit Center 7113 is at 0.674557 -0.012122 -4.092333 ESP Fit Center 7114 is at 3.004608 1.925571 -2.157292 ESP Fit Center 7115 is at -1.924199 3.108873 -2.157292 ESP Fit Center 7116 is at 2.823033 1.925571 -2.534338 ESP Fit Center 7117 is at 2.788153 2.335376 -2.534338 ESP Fit Center 7118 is at 2.684518 2.733392 -2.534338 ESP Fit Center 7119 is at 2.515109 3.108168 -2.534338 ESP Fit Center 7120 is at 2.284798 3.448923 -2.534338 ESP Fit Center 7121 is at 2.000213 3.745854 -2.534338 ESP Fit Center 7122 is at 1.669540 3.990419 -2.534338 ESP Fit Center 7123 is at -1.352489 3.603433 -2.534338 ESP Fit Center 7124 is at -1.610867 3.283438 -2.534338 ESP Fit Center 7125 is at -1.811450 2.924378 -2.534338 ESP Fit Center 7126 is at 2.587290 1.925571 -2.880109 ESP Fit Center 7127 is at 2.547730 2.339866 -2.880109 ESP Fit Center 7128 is at 2.430478 2.739188 -2.880109 ESP Fit Center 7129 is at 2.239774 3.109103 -2.880109 ESP Fit Center 7130 is at 1.982508 3.436242 -2.880109 ESP Fit Center 7131 is at 1.667981 3.708782 -2.880109 ESP Fit Center 7132 is at 1.307559 3.916872 -2.880109 ESP Fit Center 7133 is at 0.914268 4.052991 -2.880109 ESP Fit Center 7134 is at -0.696402 3.821411 -2.880109 ESP Fit Center 7135 is at -1.035412 3.580004 -2.880109 ESP Fit Center 7136 is at -1.322609 3.278800 -2.880109 ESP Fit Center 7137 is at -1.547613 2.928687 -2.880109 ESP Fit Center 7138 is at 2.547730 1.511276 -2.880109 ESP Fit Center 7139 is at 2.302646 1.925571 -3.186883 ESP Fit Center 7140 is at 2.258120 2.334979 -3.186883 ESP Fit Center 7141 is at 2.126624 2.725243 -3.186883 ESP Fit Center 7142 is at 1.914308 3.078115 -3.186883 ESP Fit Center 7143 is at 1.631099 3.377096 -3.186883 ESP Fit Center 7144 is 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-3.447806 ESP Fit Center 7163 is at -0.717155 3.040888 -3.447806 ESP Fit Center 7164 is at -0.967817 2.714219 -3.447806 ESP Fit Center 7165 is at -1.125389 2.333805 -3.447806 ESP Fit Center 7166 is at 1.921713 1.517337 -3.447806 ESP Fit Center 7167 is at 1.613036 1.925571 -3.657050 ESP Fit Center 7168 is at 1.539771 2.341082 -3.657050 ESP Fit Center 7169 is at 1.328810 2.706477 -3.657050 ESP Fit Center 7170 is at 1.005599 2.977683 -3.657050 ESP Fit Center 7171 is at 0.609123 3.121989 -3.657050 ESP Fit Center 7172 is at 0.187201 3.121989 -3.657050 ESP Fit Center 7173 is at -0.209275 2.977683 -3.657050 ESP Fit Center 7174 is at -0.532486 2.706477 -3.657050 ESP Fit Center 7175 is at -0.743447 2.341082 -3.657050 ESP Fit Center 7176 is at -0.816713 1.925571 -3.657050 ESP Fit Center 7177 is at -0.743447 1.510059 -3.657050 ESP Fit Center 7178 is at 1.539771 1.510059 -3.657050 ESP Fit Center 7179 is at 1.223476 1.925571 -3.809941 ESP Fit Center 7180 is at 1.112905 2.338228 -3.809941 ESP Fit Center 7181 is at 0.810819 2.640314 -3.809941 ESP Fit Center 7182 is at 0.398162 2.750885 -3.809941 ESP Fit Center 7183 is at -0.014495 2.640314 -3.809941 ESP Fit Center 7184 is at -0.316581 2.338228 -3.809941 ESP Fit Center 7185 is at -0.427153 1.925571 -3.809941 ESP Fit Center 7186 is at -0.316581 1.512914 -3.809941 ESP Fit Center 7187 is at -0.014495 1.210828 -3.809941 ESP Fit Center 7188 is at 0.398162 1.100256 -3.809941 ESP Fit Center 7189 is at 0.810819 1.210828 -3.809941 ESP Fit Center 7190 is at 1.112905 1.512914 -3.809941 ESP Fit Center 7191 is at 0.815480 1.925571 -3.903064 ESP Fit Center 7192 is at 0.606821 2.286979 -3.903064 ESP Fit Center 7193 is at 0.189503 2.286979 -3.903064 ESP Fit Center 7194 is at -0.019156 1.925571 -3.903064 ESP Fit Center 7195 is at 0.189503 1.564163 -3.903064 ESP Fit Center 7196 is at 0.606821 1.564163 -3.903064 ESP Fit Center 7197 is at 0.398162 1.925571 -3.934338 ESP Fit Center 7198 is at 2.720829 4.169075 1.744141 ESP Fit Center 7199 is at 2.039607 4.072338 -2.313034 ESP Fit Center 7200 is at 1.700754 4.302086 -2.313034 ESP Fit Center 7201 is at 3.144094 3.786492 1.678880 ESP Fit Center 7202 is at 2.878957 4.112389 1.678880 ESP Fit Center 7203 is at 3.664496 2.984935 1.383064 ESP Fit Center 7204 is at 3.614939 3.408924 1.383064 ESP Fit Center 7205 is at 3.468939 3.810056 1.383064 ESP Fit Center 7206 is at 3.234367 4.166705 1.383064 ESP Fit Center 7207 is at 2.923869 4.459644 1.383064 ESP Fit Center 7208 is at 3.904450 2.984935 1.040373 ESP Fit Center 7209 is at 3.861904 3.403326 1.040373 ESP Fit Center 7210 is at 3.736007 3.804589 1.040373 ESP Fit Center 7211 is at 3.531914 4.172294 1.040373 ESP Fit Center 7212 is at 3.257980 4.491389 1.040373 ESP Fit Center 7213 is at 2.925420 4.748809 1.040373 ESP Fit Center 7214 is at 3.861904 2.566544 1.040373 ESP Fit Center 7215 is at 4.081251 2.984935 0.661222 ESP Fit Center 7216 is at 4.040496 3.411747 0.661222 ESP Fit Center 7217 is at 3.919702 3.823132 0.661222 ESP Fit Center 7218 is at 3.723236 4.204222 0.661222 ESP Fit Center 7219 is at 3.458199 4.541245 0.661222 ESP Fit Center 7220 is at 3.134170 4.822018 0.661222 ESP Fit Center 7221 is at 2.762859 5.036394 0.661222 ESP Fit Center 7222 is at 4.040496 2.558124 0.661222 ESP Fit Center 7223 is at 4.189528 2.984935 0.257129 ESP Fit Center 7224 is at 4.151545 3.406961 0.257129 ESP Fit Center 7225 is at 4.038816 3.815423 0.257129 ESP Fit Center 7226 is at 3.854966 4.197193 0.257129 ESP Fit Center 7227 is at 3.605903 4.539999 0.257129 ESP Fit Center 7228 is at 3.299631 4.832824 0.257129 ESP Fit Center 7229 is at 2.945996 5.066257 0.257129 ESP Fit Center 7230 is at 2.556363 5.232794 0.257129 ESP Fit Center 7231 is at 4.151545 2.562909 0.257129 ESP Fit Center 7232 is at 4.225989 2.984935 -0.159627 ESP Fit Center 7233 is at 4.189528 3.401691 -0.159627 ESP Fit Center 7234 is at 4.081251 3.805784 -0.159627 ESP Fit Center 7235 is at 3.904450 4.184935 -0.159627 ESP Fit Center 7236 is at 3.664496 4.527626 -0.159627 ESP Fit Center 7237 is at 3.368679 4.823442 -0.159627 ESP Fit Center 7238 is at 3.025989 5.063396 -0.159627 ESP Fit Center 7239 is at 2.646837 5.240198 -0.159627 ESP Fit Center 7240 is at 4.189528 2.568180 -0.159627 ESP Fit Center 7241 is at 4.189528 2.984935 -0.576382 ESP Fit Center 7242 is at 4.151545 3.406961 -0.576382 ESP Fit Center 7243 is at 4.038816 3.815423 -0.576382 ESP Fit Center 7244 is at 3.854966 4.197193 -0.576382 ESP Fit Center 7245 is at 3.605903 4.539999 -0.576382 ESP Fit Center 7246 is at 3.299631 4.832824 -0.576382 ESP Fit Center 7247 is at 2.945996 5.066257 -0.576382 ESP Fit Center 7248 is at 2.556363 5.232794 -0.576382 ESP Fit Center 7249 is at 4.151545 2.562909 -0.576382 ESP Fit Center 7250 is at 4.081251 2.984935 -0.980475 ESP Fit Center 7251 is at 4.040496 3.411747 -0.980475 ESP Fit Center 7252 is at 3.919702 3.823132 -0.980475 ESP Fit Center 7253 is at 3.723236 4.204222 -0.980475 ESP Fit Center 7254 is at 3.458199 4.541245 -0.980475 ESP Fit Center 7255 is at 3.134170 4.822018 -0.980475 ESP Fit Center 7256 is at 2.762859 5.036394 -0.980475 ESP Fit Center 7257 is at 2.357687 5.176625 -0.980475 ESP Fit Center 7258 is at 4.040496 2.558124 -0.980475 ESP Fit Center 7259 is at 3.904450 2.984935 -1.359627 ESP Fit Center 7260 is at 3.861904 3.403326 -1.359627 ESP Fit Center 7261 is at 3.736007 3.804589 -1.359627 ESP Fit Center 7262 is at 3.531914 4.172294 -1.359627 ESP Fit Center 7263 is at 3.257980 4.491389 -1.359627 ESP Fit Center 7264 is at 2.925420 4.748809 -1.359627 ESP Fit Center 7265 is at 2.547850 4.934017 -1.359627 ESP Fit Center 7266 is at 2.140726 5.039428 -1.359627 ESP Fit Center 7267 is at 3.861904 2.566544 -1.359627 ESP Fit Center 7268 is at 3.664496 2.984935 -1.702317 ESP Fit Center 7269 is at 3.614939 3.408924 -1.702317 ESP Fit Center 7270 is at 3.468939 3.810056 -1.702317 ESP Fit Center 7271 is at 3.234367 4.166705 -1.702317 ESP Fit Center 7272 is at 2.923869 4.459644 -1.702317 ESP Fit Center 7273 is at 2.554184 4.673082 -1.702317 ESP Fit Center 7274 is at 2.145242 4.795511 -1.702317 ESP Fit Center 7275 is at 3.614939 2.560947 -1.702317 ESP Fit Center 7276 is at 3.368679 2.984935 -1.998133 ESP Fit Center 7277 is at 3.311472 3.401148 -1.998133 ESP Fit Center 7278 is at 3.144094 3.786492 -1.998133 ESP Fit Center 7279 is at 2.878957 4.112389 -1.998133 ESP Fit Center 7280 is at 2.535727 4.354667 -1.998133 ESP Fit Center 7281 is at 2.139859 4.495359 -1.998133 ESP Fit Center 7282 is at 3.144094 2.183378 -1.998133 ESP Fit Center 7283 is at 3.311472 2.568723 -1.998133 ESP Fit Center 7284 is at 3.025989 2.984935 -2.238088 ESP Fit Center 7285 is at 2.953620 3.395360 -2.238088 ESP Fit Center 7286 is at 2.745242 3.756281 -2.238088 ESP Fit Center 7287 is at 2.425989 4.024166 -2.238088 ESP Fit Center 7288 is at 2.953620 2.574511 -2.238088 ESP Fit Center 7289 is at 2.536865 3.395360 -2.414889 ESP Fit Center 7290 is at 2.236413 3.695811 -2.414889 ESP Fit Center 7291 is at -0.806460 3.415082 3.133775 ESP Fit Center 7292 is at -1.300711 3.819777 2.996657 ESP Fit Center 7293 is at -1.228631 3.410994 2.996657 ESP Fit Center 7294 is at -1.535212 4.440786 2.808281 ESP Fit Center 7295 is at -1.649741 4.032027 2.808281 ESP Fit Center 7296 is at -1.649741 3.607527 2.808281 ESP Fit Center 7297 is at -1.535212 3.198769 2.808281 ESP Fit Center 7298 is at -1.727764 4.795857 2.572157 ESP Fit Center 7299 is at -1.899665 4.424299 2.572157 ESP Fit Center 7300 is at -1.828935 5.175096 2.292682 ESP Fit Center 7301 is at -2.054286 4.824443 2.292682 ESP Fit Center 7302 is at -1.562900 5.790302 1.975064 ESP Fit Center 7303 is at -1.874956 5.515657 1.975064 ESP Fit Center 7304 is at -2.136110 5.192225 1.975064 ESP Fit Center 7305 is at -1.314782 6.193112 1.625218 ESP Fit Center 7306 is at -1.671165 5.974720 1.625218 ESP Fit Center 7307 is at -1.988996 5.703266 1.625218 ESP Fit Center 7308 is at -2.260450 5.385435 1.625218 ESP Fit Center 7309 is at -1.018220 6.495157 1.249662 ESP Fit Center 7310 is at -1.398032 6.333754 1.249662 ESP Fit Center 7311 is at -1.750296 6.118771 1.249662 ESP Fit Center 7312 is at -2.067504 5.854788 1.249662 ESP Fit Center 7313 is at -2.342896 5.547433 1.249662 ESP Fit Center 7314 is at -2.570602 5.203255 1.249662 ESP Fit Center 7315 is at -0.412534 6.740939 0.855391 ESP Fit Center 7316 is at -0.816093 6.669781 0.855391 ESP Fit Center 7317 is at -1.205821 6.543150 0.855391 ESP Fit Center 7318 is at -1.574133 6.363512 0.855391 ESP Fit Center 7319 is at -1.913860 6.134364 0.855391 ESP Fit Center 7320 is at -2.218390 5.860164 0.855391 ESP Fit Center 7321 is at -2.481794 5.546251 0.855391 ESP Fit Center 7322 is at 2.432706 5.405829 0.449750 ESP Fit Center 7323 is at 2.187269 5.743645 0.449750 ESP Fit Center 7324 is at 1.897205 6.044015 0.449750 ESP Fit Center 7325 is at 1.568161 6.301092 0.449750 ESP Fit Center 7326 is at 1.206540 6.509874 0.449750 ESP Fit Center 7327 is at 0.819383 6.666296 0.449750 ESP Fit Center 7328 is at 0.414223 6.767313 0.449750 ESP Fit Center 7329 is at -0.001053 6.810960 0.449750 ESP Fit Center 7330 is at -0.418362 6.796388 0.449750 ESP Fit Center 7331 is at -0.829581 6.723879 0.449750 ESP Fit Center 7332 is at -1.226707 6.594845 0.449750 ESP Fit Center 7333 is at -1.602010 6.411797 0.449750 ESP Fit Center 7334 is at -1.948186 6.178299 0.449750 ESP Fit Center 7335 is at -2.258496 5.898894 0.449750 ESP Fit Center 7336 is at -2.526900 5.579022 0.449750 ESP Fit Center 7337 is at 2.432706 5.405829 0.040296 ESP Fit Center 7338 is at 2.187269 5.743645 0.040296 ESP Fit Center 7339 is at 1.897205 6.044015 0.040296 ESP Fit Center 7340 is at 1.568161 6.301092 0.040296 ESP Fit Center 7341 is at 1.206540 6.509874 0.040296 ESP Fit Center 7342 is at 0.819383 6.666296 0.040296 ESP Fit Center 7343 is at 0.414223 6.767313 0.040296 ESP Fit Center 7344 is at -0.001053 6.810960 0.040296 ESP Fit Center 7345 is at -0.418362 6.796388 0.040296 ESP Fit Center 7346 is at -0.829581 6.723879 0.040296 ESP Fit Center 7347 is at -1.226707 6.594845 0.040296 ESP Fit Center 7348 is at -1.602010 6.411797 0.040296 ESP Fit Center 7349 is at -1.948186 6.178299 0.040296 ESP Fit Center 7350 is at -2.258496 5.898894 0.040296 ESP Fit Center 7351 is at -2.526900 5.579022 0.040296 ESP Fit Center 7352 is at -2.748175 5.224909 0.040296 ESP Fit Center 7353 is at 2.385424 5.376284 -0.365345 ESP Fit Center 7354 is at 2.144558 5.707807 -0.365345 ESP Fit Center 7355 is at 1.859898 6.002581 -0.365345 ESP Fit Center 7356 is at 1.536983 6.254870 -0.365345 ESP Fit Center 7357 is at -1.574133 6.363512 -0.365345 ESP Fit Center 7358 is at -1.913860 6.134364 -0.365345 ESP Fit Center 7359 is at -2.218390 5.860164 -0.365345 ESP Fit Center 7360 is at -2.481794 5.546251 -0.365345 ESP Fit Center 7361 is at -2.698947 5.198734 -0.365345 ESP Fit Center 7362 is at 2.252023 5.379505 -0.759616 ESP Fit Center 7363 is at 1.999802 5.706143 -0.759616 ESP Fit Center 7364 is at -2.067504 5.854788 -0.759616 ESP Fit Center 7365 is at -2.342896 5.547433 -0.759616 ESP Fit Center 7366 is at -2.570602 5.203255 -0.759616 ESP Fit Center 7367 is at -2.745768 4.829592 -0.759616 ESP Fit Center 7368 is at -2.260450 5.385435 -1.135172 ESP Fit Center 7369 is at -2.478842 5.029052 -1.135172 ESP Fit Center 7370 is at -2.638794 4.642892 -1.135172 ESP Fit Center 7371 is at -2.338846 4.829310 -1.485018 ESP Fit Center 7372 is at -2.477333 4.437353 -1.485018 ESP Fit Center 7373 is at -2.547588 4.027629 -1.485018 ESP Fit Center 7374 is at -2.209203 4.437478 -1.802636 ESP Fit Center 7375 is at -2.288087 4.028189 -1.802636 ESP Fit Center 7376 is at -2.288087 3.611366 -1.802636 ESP Fit Center 7377 is at -2.209203 3.202077 -1.802636 ESP Fit Center 7378 is at -1.987673 4.024475 -2.082111 ESP Fit Center 7379 is at -1.987673 3.615080 -2.082111 ESP Fit Center 7380 is at -1.899665 3.215255 -2.082111 ESP Fit Center 7381 is at -1.649741 3.607527 -2.318235 ESP Fit Center 7382 is at 0.808641 -0.581371 3.339682 ESP Fit Center 7383 is at 1.225397 -0.581371 3.303220 ESP Fit Center 7384 is at 0.391885 -0.581371 3.303220 ESP Fit Center 7385 is at 0.600263 -0.942292 3.303220 ESP Fit Center 7386 is at 1.017019 -0.942292 3.303220 ESP Fit Center 7387 is at -0.012207 -0.581371 3.194944 ESP Fit Center 7388 is at 0.097766 -0.991795 3.194944 ESP Fit Center 7389 is at 0.398217 -1.292246 3.194944 ESP Fit Center 7390 is at 0.808641 -1.402219 3.194944 ESP Fit Center 7391 is at -0.110612 -1.352716 3.018143 ESP Fit Center 7392 is at 0.208641 -1.620601 3.018143 ESP Fit Center 7393 is at 0.600263 -1.763140 3.018143 ESP Fit Center 7394 is at -0.080998 -1.841702 2.778188 ESP Fit Center 7395 is at 0.292026 -2.034988 2.778188 ESP Fit Center 7396 is at 0.703364 -2.120465 2.778188 ESP Fit Center 7397 is at 0.281351 -2.342641 2.482372 ESP Fit Center 7398 is at 0.701741 -2.416767 2.482372 ESP Fit Center 7399 is at 0.287670 -2.593481 2.139682 ESP Fit Center 7400 is at 0.703369 -2.657164 2.139682 ESP Fit Center 7401 is at 0.487684 -2.813678 1.760530 ESP Fit Center 7402 is at 0.282704 -2.885651 1.356437 ESP Fit Center 7403 is at 0.622660 1.955126 4.122894 ESP Fit Center 7404 is at 0.418410 1.601354 4.122894 ESP Fit Center 7405 is at 0.622660 1.247583 4.122894 ESP Fit Center 7406 is at 0.422215 2.302307 4.039588 ESP Fit Center 7407 is at 0.125958 2.006049 4.039588 ESP Fit Center 7408 is at 0.017520 1.601354 4.039588 ESP Fit Center 7409 is at 0.125958 1.196659 4.039588 ESP Fit Center 7410 is at 0.422215 0.900402 4.039588 ESP Fit Center 7411 is at 0.826910 0.791964 4.039588 ESP Fit Center 7412 is at 0.619365 2.778400 3.902470 ESP Fit Center 7413 is at 0.229309 2.636431 3.902470 ESP Fit Center 7414 is at -0.088669 2.369616 3.902470 ESP Fit Center 7415 is at 0.229309 0.566278 3.902470 ESP Fit Center 7416 is at 0.619365 0.424309 3.902470 ESP Fit Center 7417 is at 1.034455 0.424309 3.902470 ESP Fit Center 7418 is at 0.720537 3.156472 3.714094 ESP Fit Center 7419 is at 0.304916 3.070105 3.714094 ESP Fit Center 7420 is at -0.071991 2.874808 3.714094 ESP Fit Center 7421 is at -0.071991 0.327901 3.714094 ESP Fit Center 7422 is at 0.304916 0.132603 3.714094 ESP Fit Center 7423 is at 0.720537 0.046236 3.714094 ESP Fit Center 7424 is at 1.144048 0.075205 3.714094 ESP Fit Center 7425 is at 1.544037 0.217362 3.714094 ESP Fit Center 7426 is at 0.929409 3.491841 3.477970 ESP Fit Center 7427 is at 0.520614 3.469677 3.477970 ESP Fit Center 7428 is at 0.126141 3.360152 3.477970 ESP Fit Center 7429 is at -0.235565 3.168388 3.477970 ESP Fit Center 7430 is at 0.126141 -0.157444 3.477970 ESP Fit Center 7431 is at 0.520614 -0.266969 3.477970 ESP Fit Center 7432 is at 0.929409 -0.289133 3.477970 ESP Fit Center 7433 is at 1.333412 -0.222900 3.477970 ESP Fit Center 7434 is at 1.713731 -0.071367 3.477970 ESP Fit Center 7435 is at -0.269344 -0.297413 3.198495 ESP Fit Center 7436 is at -0.139779 1.559324 4.041535 ESP Fit Center 7437 is at -0.348157 1.920245 4.005074 ESP Fit Center 7438 is at -0.556535 1.559324 4.005074 ESP Fit Center 7439 is at -0.348157 1.198403 4.005074 ESP Fit Center 7440 is at -0.139779 2.380172 3.896797 ESP Fit Center 7441 is at -0.550203 2.270199 3.896797 ESP Fit Center 7442 is at -0.850654 1.969748 3.896797 ESP Fit Center 7443 is at -0.960627 1.559324 3.896797 ESP Fit Center 7444 is at -0.850654 1.148899 3.896797 ESP Fit Center 7445 is at -0.550203 0.848448 3.896797 ESP Fit Center 7446 is at -0.139779 0.738475 3.896797 ESP Fit Center 7447 is at -0.348157 2.741093 3.719996 ESP Fit Center 7448 is at -0.739779 2.598554 3.719996 ESP Fit Center 7449 is at -1.059032 2.330669 3.719996 ESP Fit Center 7450 is at -1.267410 1.969748 3.719996 ESP Fit Center 7451 is at -1.339779 1.559324 3.719996 ESP Fit Center 7452 is at -1.267410 1.148899 3.719996 ESP Fit Center 7453 is at -1.059032 0.787978 3.719996 ESP Fit Center 7454 is at -0.739779 0.520093 3.719996 ESP Fit Center 7455 is at -0.348157 0.377554 3.719996 ESP Fit Center 7456 is at -0.656394 3.012940 3.480042 ESP Fit Center 7457 is at -1.029418 2.819655 3.480042 ESP Fit Center 7458 is at -1.336461 2.532897 3.480042 ESP Fit Center 7459 is at -1.554752 2.173933 3.480042 ESP Fit Center 7460 is at -1.668100 1.769387 3.480042 ESP Fit Center 7461 is at -1.668100 1.349261 3.480042 ESP Fit Center 7462 is at -1.554752 0.944714 3.480042 ESP Fit Center 7463 is at -1.336461 0.585750 3.480042 ESP Fit Center 7464 is at -1.029418 0.298992 3.480042 ESP Fit Center 7465 is at -0.656394 0.105707 3.480042 ESP Fit Center 7466 is at -0.245056 0.020230 3.480042 ESP Fit Center 7467 is at -0.667069 3.320594 3.184225 ESP Fit Center 7468 is at -1.059032 3.151517 3.184225 ESP Fit Center 7469 is at -1.401439 2.896605 3.184225 ESP Fit Center 7470 is at -1.675829 2.569600 3.184225 ESP Fit Center 7471 is at -1.867410 2.188130 3.184225 ESP Fit Center 7472 is at -1.965854 1.772761 3.184225 ESP Fit Center 7473 is at -1.965854 1.345886 3.184225 ESP Fit Center 7474 is at -1.867410 0.930517 3.184225 ESP Fit Center 7475 is at -1.675829 0.549048 3.184225 ESP Fit Center 7476 is at -1.401439 0.222042 3.184225 ESP Fit Center 7477 is at -1.059032 -0.032870 3.184225 ESP Fit Center 7478 is at -0.667069 -0.201946 3.184225 ESP Fit Center 7479 is at -1.716828 2.913176 2.841535 ESP Fit Center 7480 is at -1.957074 2.568005 2.841535 ESP Fit Center 7481 is at -2.122920 2.181538 2.841535 ESP Fit Center 7482 is at -2.207576 1.769598 2.841535 ESP Fit Center 7483 is at -2.207576 1.349049 2.841535 ESP Fit Center 7484 is at -2.144336 2.592745 2.462383 ESP Fit Center 7485 is at -2.303687 2.194704 2.462383 ESP Fit Center 7486 is at -2.384829 1.773700 2.462383 ESP Fit Center 7487 is at -2.418142 2.188112 2.058291 ESP Fit Center 7488 is at 1.593883 1.800853 4.289789 ESP Fit Center 7489 is at 2.010639 1.800853 4.253327 ESP Fit Center 7490 is at 1.802261 2.161774 4.253327 ESP Fit Center 7491 is at 1.385505 2.161774 4.253327 ESP Fit Center 7492 is at 1.177127 1.800853 4.253327 ESP Fit Center 7493 is at 1.385505 1.439932 4.253327 ESP Fit Center 7494 is at 1.802261 1.439932 4.253327 ESP Fit Center 7495 is at 2.414731 1.800853 4.145051 ESP Fit Center 7496 is at 2.304759 2.211277 4.145051 ESP Fit Center 7497 is at 2.004307 2.511728 4.145051 ESP Fit Center 7498 is at 1.593883 2.621701 4.145051 ESP Fit Center 7499 is at 1.183459 2.511728 4.145051 ESP Fit Center 7500 is at 0.883008 2.211277 4.145051 ESP Fit Center 7501 is at 0.773035 1.800853 4.145051 ESP Fit Center 7502 is at 0.883008 1.390429 4.145051 ESP Fit Center 7503 is at 1.183459 1.089977 4.145051 ESP Fit Center 7504 is at 1.593883 0.980005 4.145051 ESP Fit Center 7505 is at 2.004307 1.089977 4.145051 ESP Fit Center 7506 is at 2.304759 1.390429 4.145051 ESP Fit Center 7507 is at 2.793883 1.800853 3.968250 ESP Fit Center 7508 is at 2.721514 2.211277 3.968250 ESP Fit Center 7509 is at 2.513136 2.572198 3.968250 ESP Fit Center 7510 is at 2.193883 2.840083 3.968250 ESP Fit Center 7511 is at 1.802261 2.982622 3.968250 ESP Fit Center 7512 is at 1.385505 2.982622 3.968250 ESP Fit Center 7513 is at 0.993883 2.840083 3.968250 ESP Fit Center 7514 is at 1.385505 0.619084 3.968250 ESP Fit Center 7515 is at 1.802261 0.619084 3.968250 ESP Fit Center 7516 is at 2.193883 0.761622 3.968250 ESP Fit Center 7517 is at 2.513136 1.029508 3.968250 ESP Fit Center 7518 is at 2.721514 1.390429 3.968250 ESP Fit Center 7519 is at 3.136573 1.800853 3.728295 ESP Fit Center 7520 is at 3.079366 2.217066 3.728295 ESP Fit Center 7521 is at 2.911988 2.602410 3.728295 ESP Fit Center 7522 is at 2.646851 2.928306 3.728295 ESP Fit Center 7523 is at 2.303621 3.170585 3.728295 ESP Fit Center 7524 is at 1.907753 3.311276 3.728295 ESP Fit Center 7525 is at 1.488606 3.339947 3.728295 ESP Fit Center 7526 is at 1.077268 3.254470 3.728295 ESP Fit Center 7527 is at 1.907753 0.290429 3.728295 ESP Fit Center 7528 is at 2.303621 0.431121 3.728295 ESP Fit Center 7529 is at 2.646851 0.673399 3.728295 ESP Fit Center 7530 is at 2.911988 0.999296 3.728295 ESP Fit Center 7531 is at 3.079366 1.384640 3.728295 ESP Fit Center 7532 is at 3.432390 1.800853 3.432479 ESP Fit Center 7533 is at 3.382833 2.224842 3.432479 ESP Fit Center 7534 is at 3.236833 2.625973 3.432479 ESP Fit Center 7535 is at 3.002261 2.982622 3.432479 ESP Fit Center 7536 is at 2.691763 3.275562 3.432479 ESP Fit Center 7537 is at 2.322078 3.488999 3.432479 ESP Fit Center 7538 is at 1.913136 3.611429 3.432479 ESP Fit Center 7539 is at 1.486983 3.636249 3.432479 ESP Fit Center 7540 is at 1.066593 3.562123 3.432479 ESP Fit Center 7541 is at 2.322078 0.112707 3.432479 ESP Fit Center 7542 is at 2.691763 0.326144 3.432479 ESP Fit Center 7543 is at 3.002261 0.619084 3.432479 ESP Fit Center 7544 is at 3.236833 0.975733 3.432479 ESP Fit Center 7545 is at 3.382833 1.376864 3.432479 ESP Fit Center 7546 is at 3.672344 1.800853 3.089789 ESP Fit Center 7547 is at 3.629798 2.219244 3.089789 ESP Fit Center 7548 is at 3.503901 2.620506 3.089789 ESP Fit Center 7549 is at 3.299808 2.988212 3.089789 ESP Fit Center 7550 is at 3.025874 3.307306 3.089789 ESP Fit Center 7551 is at 2.693314 3.564727 3.089789 ESP Fit Center 7552 is at 2.315743 3.749934 3.089789 ESP Fit Center 7553 is at 1.908620 3.855346 3.089789 ESP Fit Center 7554 is at 1.488611 3.876646 3.089789 ESP Fit Center 7555 is at 3.503901 0.981200 3.089789 ESP Fit Center 7556 is at 3.629798 1.382462 3.089789 ESP Fit Center 7557 is at 3.849145 1.800853 2.710637 ESP Fit Center 7558 is at 3.808390 2.227664 2.710637 ESP Fit Center 7559 is at 3.687596 2.639049 2.710637 ESP Fit Center 7560 is at 3.491130 3.020140 2.710637 ESP Fit Center 7561 is at 3.226093 3.357162 2.710637 ESP Fit Center 7562 is at 2.902064 3.637935 2.710637 ESP Fit Center 7563 is at 2.530753 3.852312 2.710637 ESP Fit Center 7564 is at 2.125581 3.992543 2.710637 ESP Fit Center 7565 is at 3.808390 1.374042 2.710637 ESP Fit Center 7566 is at 3.957422 1.800853 2.306544 ESP Fit Center 7567 is at 3.919439 2.222879 2.306544 ESP Fit Center 7568 is at 3.806710 2.631341 2.306544 ESP Fit Center 7569 is at 3.622860 3.013110 2.306544 ESP Fit Center 7570 is at 3.373797 3.355917 2.306544 ESP Fit Center 7571 is at 3.067525 3.648742 2.306544 ESP Fit Center 7572 is at 2.713890 3.882174 2.306544 ESP Fit Center 7573 is at 2.324257 4.048712 2.306544 ESP Fit Center 7574 is at 3.993883 1.800853 1.889789 ESP Fit Center 7575 is at 3.957422 2.217609 1.889789 ESP Fit Center 7576 is at 3.849145 2.621701 1.889789 ESP Fit Center 7577 is at 3.672344 3.000853 1.889789 ESP Fit Center 7578 is at 3.432390 3.343543 1.889789 ESP Fit Center 7579 is at 3.136573 3.639360 1.889789 ESP Fit Center 7580 is at 2.793883 3.879314 1.889789 ESP Fit Center 7581 is at 3.919439 2.222879 1.473033 ESP Fit Center 7582 is at 3.806710 2.631341 1.473033 ESP Fit Center 7583 is at 3.622860 3.013110 1.473033 ESP Fit Center 7584 is at 4.060111 2.106520 1.473553 ESP Fit Center 7585 is at 4.301096 2.129273 1.096508 ESP Fit Center 7586 is at 3.990091 2.394896 1.096508 ESP Fit Center 7587 is at 4.112933 2.457226 0.696612 ESP Fit Center 7588 is at 4.198950 2.469244 0.282798 ESP Fit Center 7589 is at 4.198950 2.469244 -0.135691 ESP Fit Center 7590 is at 0.214428 4.392496 3.514422 ESP Fit Center 7591 is at 0.631184 4.392496 3.477961 ESP Fit Center 7592 is at 0.422806 4.753417 3.477961 ESP Fit Center 7593 is at 0.006050 4.753417 3.477961 ESP Fit Center 7594 is at -0.202327 4.392496 3.477961 ESP Fit Center 7595 is at 0.006050 4.031575 3.477961 ESP Fit Center 7596 is at 0.422806 4.031575 3.477961 ESP Fit Center 7597 is at 1.035277 4.392496 3.369685 ESP Fit Center 7598 is at 0.925304 4.802920 3.369685 ESP Fit Center 7599 is at 0.624852 5.103371 3.369685 ESP Fit Center 7600 is at 0.214428 5.213344 3.369685 ESP Fit Center 7601 is at -0.195996 5.103371 3.369685 ESP Fit Center 7602 is at -0.496447 4.802920 3.369685 ESP Fit Center 7603 is at -0.606420 4.392496 3.369685 ESP Fit Center 7604 is at -0.496447 3.982072 3.369685 ESP Fit Center 7605 is at -0.195996 3.681620 3.369685 ESP Fit Center 7606 is at 0.214428 3.571647 3.369685 ESP Fit Center 7607 is at 0.624852 3.681620 3.369685 ESP Fit Center 7608 is at 0.925304 3.982072 3.369685 ESP Fit Center 7609 is at 1.414428 4.392496 3.192883 ESP Fit Center 7610 is at 1.342059 4.802920 3.192883 ESP Fit Center 7611 is at 1.133682 5.163841 3.192883 ESP Fit Center 7612 is at 0.814428 5.431726 3.192883 ESP Fit Center 7613 is at 0.422806 5.574265 3.192883 ESP Fit Center 7614 is at 0.006050 5.574265 3.192883 ESP Fit Center 7615 is at -0.385572 5.431726 3.192883 ESP Fit Center 7616 is at -0.704825 5.163841 3.192883 ESP Fit Center 7617 is at -0.913203 4.802920 3.192883 ESP Fit Center 7618 is at -0.985572 4.392496 3.192883 ESP Fit Center 7619 is at -0.913203 3.982072 3.192883 ESP Fit Center 7620 is at -0.704825 3.621151 3.192883 ESP Fit Center 7621 is at 1.342059 3.982072 3.192883 ESP Fit Center 7622 is at 1.757119 4.392496 2.952929 ESP Fit Center 7623 is at 1.699911 4.808709 2.952929 ESP Fit Center 7624 is at 1.532533 5.194053 2.952929 ESP Fit Center 7625 is at 1.267396 5.519949 2.952929 ESP Fit Center 7626 is at 0.924166 5.762228 2.952929 ESP Fit Center 7627 is at 0.528298 5.902919 2.952929 ESP Fit Center 7628 is at 0.109151 5.931590 2.952929 ESP Fit Center 7629 is at -0.302187 5.846113 2.952929 ESP Fit Center 7630 is at -0.675211 5.652827 2.952929 ESP Fit Center 7631 is at -0.982254 5.366069 2.952929 ESP Fit Center 7632 is at -1.200545 5.007105 2.952929 ESP Fit Center 7633 is at -1.313893 4.602559 2.952929 ESP Fit Center 7634 is at 1.699911 3.976283 2.952929 ESP Fit Center 7635 is at 2.052935 4.392496 2.657113 ESP Fit Center 7636 is at 2.003378 4.816485 2.657113 ESP Fit Center 7637 is at 1.857378 5.217616 2.657113 ESP Fit Center 7638 is at 1.622806 5.574265 2.657113 ESP Fit Center 7639 is at 1.312308 5.867205 2.657113 ESP Fit Center 7640 is at 0.942624 6.080642 2.657113 ESP Fit Center 7641 is at 0.533682 6.203071 2.657113 ESP Fit Center 7642 is at 0.107529 6.227892 2.657113 ESP Fit Center 7643 is at -0.312861 6.153766 2.657113 ESP Fit Center 7644 is at -0.704825 5.984689 2.657113 ESP Fit Center 7645 is at -1.047232 5.729777 2.657113 ESP Fit Center 7646 is at -1.321622 5.402772 2.657113 ESP Fit Center 7647 is at -1.513203 5.021302 2.657113 ESP Fit Center 7648 is at 2.292889 4.392496 2.314422 ESP Fit Center 7649 is at 2.250343 4.810887 2.314422 ESP Fit Center 7650 is at 2.124446 5.212149 2.314422 ESP Fit Center 7651 is at 1.920353 5.579855 2.314422 ESP Fit Center 7652 is at 1.646419 5.898949 2.314422 ESP Fit Center 7653 is at 1.313859 6.156370 2.314422 ESP Fit Center 7654 is at 0.936289 6.341577 2.314422 ESP Fit Center 7655 is at 0.529165 6.446989 2.314422 ESP Fit Center 7656 is at 0.109156 6.468289 2.314422 ESP Fit Center 7657 is at -0.306543 6.404606 2.314422 ESP Fit Center 7658 is at -0.700914 6.258548 2.314422 ESP Fit Center 7659 is at -1.057810 6.036092 2.314422 ESP Fit Center 7660 is at -1.362621 5.746348 2.314422 ESP Fit Center 7661 is at -1.602867 5.401177 2.314422 ESP Fit Center 7662 is at 2.469691 4.392496 1.935271 ESP Fit Center 7663 is at 2.428935 4.819307 1.935271 ESP Fit Center 7664 is at 2.308141 5.230692 1.935271 ESP Fit Center 7665 is at 2.111676 5.611783 1.935271 ESP Fit Center 7666 is at 1.846638 5.948805 1.935271 ESP Fit Center 7667 is at 1.522609 6.229578 1.935271 ESP Fit Center 7668 is at 1.151298 6.443955 1.935271 ESP Fit Center 7669 is at 0.746127 6.584186 1.935271 ESP Fit Center 7670 is at 0.321738 6.645204 1.935271 ESP Fit Center 7671 is at -0.106529 6.624803 1.935271 ESP Fit Center 7672 is at -0.523196 6.523721 1.935271 ESP Fit Center 7673 is at -0.913203 6.345610 1.935271 ESP Fit Center 7674 is at -1.262454 6.096909 1.935271 ESP Fit Center 7675 is at 2.539984 4.814522 1.531178 ESP Fit Center 7676 is at 2.427256 5.222984 1.531178 ESP Fit Center 7677 is at 2.243405 5.604753 1.531178 ESP Fit Center 7678 is at 1.994342 5.947559 1.531178 ESP Fit Center 7679 is at 1.688071 6.240385 1.531178 ESP Fit Center 7680 is at 1.334435 6.473817 1.531178 ESP Fit Center 7681 is at 0.944802 6.640355 1.531178 ESP Fit Center 7682 is at 0.531694 6.734644 1.531178 ESP Fit Center 7683 is at 0.108389 6.753655 1.531178 ESP Fit Center 7684 is at -0.311509 6.696776 1.531178 ESP Fit Center 7685 is at -0.714502 6.565835 1.531178 ESP Fit Center 7686 is at -1.087638 6.365042 1.531178 ESP Fit Center 7687 is at 2.469691 5.213344 1.114422 ESP Fit Center 7688 is at 2.292889 5.592496 1.114422 ESP Fit Center 7689 is at 2.052935 5.935186 1.114422 ESP Fit Center 7690 is at 1.757119 6.231003 1.114422 ESP Fit Center 7691 is at 1.414428 6.470957 1.114422 ESP Fit Center 7692 is at 1.035277 6.647758 1.114422 ESP Fit Center 7693 is at 0.631184 6.756034 1.114422 ESP Fit Center 7694 is at 0.214428 6.792496 1.114422 ESP Fit Center 7695 is at -0.202327 6.756034 1.114422 ESP Fit Center 7696 is at -0.606420 6.647758 1.114422 ESP Fit Center 7697 is at 1.994342 5.947559 0.697667 ESP Fit Center 7698 is at 1.688071 6.240385 0.697667 ESP Fit Center 7699 is at 1.334435 6.473817 0.697667 ESP Fit Center 7700 is at 0.944802 6.640355 0.697667 ESP Fit Center 7701 is at 0.531694 6.734644 0.697667 ESP Fit Center 7702 is at -1.945310 3.484149 2.660171 ESP Fit Center 7703 is at -1.835337 3.073725 2.660171 ESP Fit Center 7704 is at -2.252093 3.894573 2.483369 ESP Fit Center 7705 is at -2.324461 3.484149 2.483369 ESP Fit Center 7706 is at -2.252093 3.073725 2.483369 ESP Fit Center 7707 is at -2.321144 4.457722 2.243415 ESP Fit Center 7708 is at -2.539434 4.098758 2.243415 ESP Fit Center 7709 is at -2.652783 3.694212 2.243415 ESP Fit Center 7710 is at -2.652783 3.274086 2.243415 ESP Fit Center 7711 is at -2.539434 2.869539 2.243415 ESP Fit Center 7712 is at -2.321144 2.510576 2.243415 ESP Fit Center 7713 is at -2.386121 4.821430 1.947598 ESP Fit Center 7714 is at -2.660511 4.494425 1.947598 ESP Fit Center 7715 is at -2.852093 4.112955 1.947598 ESP Fit Center 7716 is at -2.950537 3.697586 1.947598 ESP Fit Center 7717 is at -2.950537 3.270711 1.947598 ESP Fit Center 7718 is at -2.852093 2.855342 1.947598 ESP Fit Center 7719 is at -2.660511 2.473873 1.947598 ESP Fit Center 7720 is at -2.701511 4.838001 1.604908 ESP Fit Center 7721 is at -2.941757 4.492830 1.604908 ESP Fit Center 7722 is at -3.107603 4.106363 1.604908 ESP Fit Center 7723 is at -3.192258 3.694423 1.604908 ESP Fit Center 7724 is at -3.192258 3.273874 1.604908 ESP Fit Center 7725 is at -3.107603 2.861934 1.604908 ESP Fit Center 7726 is at -2.601344 5.188562 1.225757 ESP Fit Center 7727 is at -2.897217 4.878259 1.225757 ESP Fit Center 7728 is at -3.129018 4.517570 1.225757 ESP Fit Center 7729 is at -3.288370 4.119530 1.225757 ESP Fit Center 7730 is at -3.369512 3.698525 1.225757 ESP Fit Center 7731 is at -3.369512 3.269772 1.225757 ESP Fit Center 7732 is at -3.288370 2.848768 1.225757 ESP Fit Center 7733 is at -2.757815 5.192502 0.821664 ESP Fit Center 7734 is at -3.036604 4.873402 0.821664 ESP Fit Center 7735 is at -3.253936 4.509650 0.821664 ESP Fit Center 7736 is at -3.402825 4.112937 0.821664 ESP Fit Center 7737 is at -3.478485 3.696015 0.821664 ESP Fit Center 7738 is at -3.478485 3.272283 0.821664 ESP Fit Center 7739 is at -2.962968 5.026839 0.404908 ESP Fit Center 7740 is at -3.202922 4.684149 0.404908 ESP Fit Center 7741 is at -3.379724 4.304997 0.404908 ESP Fit Center 7742 is at -3.488000 3.900904 0.404908 ESP Fit Center 7743 is at -3.524461 3.484149 0.404908 ESP Fit Center 7744 is at -3.488000 3.067393 0.404908 ESP Fit Center 7745 is at -3.036604 4.873402 -0.011847 ESP Fit Center 7746 is at -3.253936 4.509650 -0.011847 ESP Fit Center 7747 is at -3.402825 4.112937 -0.011847 ESP Fit Center 7748 is at -3.478485 3.696015 -0.011847 ESP Fit Center 7749 is at -3.478485 3.272283 -0.011847 ESP Fit Center 7750 is at -2.897217 4.878259 -0.415940 ESP Fit Center 7751 is at -3.129018 4.517570 -0.415940 ESP Fit Center 7752 is at -3.288370 4.119530 -0.415940 ESP Fit Center 7753 is at -3.369512 3.698525 -0.415940 ESP Fit Center 7754 is at -3.369512 3.269772 -0.415940 ESP Fit Center 7755 is at -2.941757 4.492830 -0.795092 ESP Fit Center 7756 is at -3.107603 4.106363 -0.795092 ESP Fit Center 7757 is at -3.192258 3.694423 -0.795092 ESP Fit Center 7758 is at -3.192258 3.273874 -0.795092 ESP Fit Center 7759 is at -3.107603 2.861934 -0.795092 ESP Fit Center 7760 is at -2.852093 4.112955 -1.137782 ESP Fit Center 7761 is at -2.950537 3.697586 -1.137782 ESP Fit Center 7762 is at -2.950537 3.270711 -1.137782 ESP Fit Center 7763 is at -2.852093 2.855342 -1.137782 ESP Fit Center 7764 is at -2.652783 3.694212 -1.433598 ESP Fit Center 7765 is at -2.652783 3.274086 -1.433598 ESP Fit Center 7766 is at 0.633439 6.727661 -0.201216 ESP Fit Center 7767 is at 0.220330 6.821950 -0.201216 ESP Fit Center 7768 is at -0.202975 6.840961 -0.201216 ESP Fit Center 7769 is at -0.622872 6.784082 -0.201216 ESP Fit Center 7770 is at -1.025865 6.653141 -0.201216 ESP Fit Center 7771 is at 1.741572 6.022492 -0.617971 ESP Fit Center 7772 is at 1.445755 6.318309 -0.617971 ESP Fit Center 7773 is at 1.103065 6.558263 -0.617971 ESP Fit Center 7774 is at 0.723913 6.735064 -0.617971 ESP Fit Center 7775 is at 0.319821 6.843341 -0.617971 ESP Fit Center 7776 is at -0.096935 6.879802 -0.617971 ESP Fit Center 7777 is at -0.513691 6.843341 -0.617971 ESP Fit Center 7778 is at -0.917783 6.735064 -0.617971 ESP Fit Center 7779 is at -1.296935 6.558263 -0.617971 ESP Fit Center 7780 is at -1.639625 6.318309 -0.617971 ESP Fit Center 7781 is at 1.932042 5.692059 -1.034727 ESP Fit Center 7782 is at 1.682978 6.034866 -1.034727 ESP Fit Center 7783 is at 1.376707 6.327691 -1.034727 ESP Fit Center 7784 is at 1.023072 6.561124 -1.034727 ESP Fit Center 7785 is at 0.633439 6.727661 -1.034727 ESP Fit Center 7786 is at 0.220330 6.821950 -1.034727 ESP Fit Center 7787 is at -0.202975 6.840961 -1.034727 ESP Fit Center 7788 is at -0.622872 6.784082 -1.034727 ESP Fit Center 7789 is at -1.025865 6.653141 -1.034727 ESP Fit Center 7790 is at -1.399001 6.452348 -1.034727 ESP Fit Center 7791 is at -1.730288 6.188156 -1.034727 ESP Fit Center 7792 is at -2.009078 5.869055 -1.034727 ESP Fit Center 7793 is at 1.996778 5.317998 -1.438820 ESP Fit Center 7794 is at 1.800312 5.699089 -1.438820 ESP Fit Center 7795 is at 1.535275 6.036111 -1.438820 ESP Fit Center 7796 is at 1.211245 6.316884 -1.438820 ESP Fit Center 7797 is at 0.839935 6.531261 -1.438820 ESP Fit Center 7798 is at 0.434763 6.671492 -1.438820 ESP Fit Center 7799 is at 0.010375 6.732510 -1.438820 ESP Fit Center 7800 is at -0.417892 6.712109 -1.438820 ESP Fit Center 7801 is at -0.834559 6.611027 -1.438820 ESP Fit Center 7802 is at -1.224566 6.432916 -1.438820 ESP Fit Center 7803 is at -1.573818 6.184216 -1.438820 ESP Fit Center 7804 is at -1.869691 5.873913 -1.438820 ESP Fit Center 7805 is at -2.101492 5.513223 -1.438820 ESP Fit Center 7806 is at -2.260843 5.115183 -1.438820 ESP Fit Center 7807 is at 1.938980 4.898193 -1.817971 ESP Fit Center 7808 is at 1.813083 5.299455 -1.817971 ESP Fit Center 7809 is at 1.608990 5.667161 -1.817971 ESP Fit Center 7810 is at 1.335056 5.986256 -1.817971 ESP Fit Center 7811 is at 1.002496 6.243676 -1.817971 ESP Fit Center 7812 is at 0.624925 6.428883 -1.817971 ESP Fit Center 7813 is at 0.217802 6.534295 -1.817971 ESP Fit Center 7814 is at -0.202207 6.555595 -1.817971 ESP Fit Center 7815 is at -0.617907 6.491913 -1.817971 ESP Fit Center 7816 is at -1.012277 6.345854 -1.817971 ESP Fit Center 7817 is at -1.369173 6.123399 -1.817971 ESP Fit Center 7818 is at -1.673984 5.833654 -1.817971 ESP Fit Center 7819 is at -1.914230 5.488483 -1.817971 ESP Fit Center 7820 is at -2.080076 5.102017 -1.817971 ESP Fit Center 7821 is at -2.164732 4.690076 -1.817971 ESP Fit Center 7822 is at 1.741572 4.479802 -2.160662 ESP Fit Center 7823 is at 1.692014 4.903791 -2.160662 ESP Fit Center 7824 is at 1.546015 5.304922 -2.160662 ESP Fit Center 7825 is at 1.311443 5.661571 -2.160662 ESP Fit Center 7826 is at 1.000945 5.954511 -2.160662 ESP Fit Center 7827 is at 0.631260 6.167948 -2.160662 ESP Fit Center 7828 is at 0.222318 6.290378 -2.160662 ESP Fit Center 7829 is at -0.203835 6.315198 -2.160662 ESP Fit Center 7830 is at -0.624225 6.241072 -2.160662 ESP Fit Center 7831 is at -1.016188 6.071996 -2.160662 ESP Fit Center 7832 is at -1.358595 5.817083 -2.160662 ESP Fit Center 7833 is at -1.632985 5.490078 -2.160662 ESP Fit Center 7834 is at -1.824566 5.108608 -2.160662 ESP Fit Center 7835 is at -1.923010 4.693240 -2.160662 ESP Fit Center 7836 is at -1.923010 4.266364 -2.160662 ESP Fit Center 7837 is at 1.445755 4.479802 -2.456478 ESP Fit Center 7838 is at 1.388548 4.896015 -2.456478 ESP Fit Center 7839 is at 1.221169 5.281359 -2.456478 ESP Fit Center 7840 is at 0.956033 5.607256 -2.456478 ESP Fit Center 7841 is at 0.612803 5.849534 -2.456478 ESP Fit Center 7842 is at 0.216935 5.990226 -2.456478 ESP Fit Center 7843 is at -0.202212 6.018896 -2.456478 ESP Fit Center 7844 is at -0.613551 5.933419 -2.456478 ESP Fit Center 7845 is at -0.986574 5.740134 -2.456478 ESP Fit Center 7846 is at -1.293617 5.453375 -2.456478 ESP Fit Center 7847 is at -1.511908 5.094412 -2.456478 ESP Fit Center 7848 is at -1.625257 4.689865 -2.456478 ESP Fit Center 7849 is at -1.625257 4.269739 -2.456478 ESP Fit Center 7850 is at -1.511908 3.865193 -2.456478 ESP Fit Center 7851 is at 1.103065 4.479802 -2.696432 ESP Fit Center 7852 is at 1.030696 4.890226 -2.696432 ESP Fit Center 7853 is at 0.822318 5.251147 -2.696432 ESP Fit Center 7854 is at 0.503065 5.519033 -2.696432 ESP Fit Center 7855 is at 0.111443 5.661571 -2.696432 ESP Fit Center 7856 is at -0.305313 5.661571 -2.696432 ESP Fit Center 7857 is at -0.696935 5.519033 -2.696432 ESP Fit Center 7858 is at -1.016188 5.251147 -2.696432 ESP Fit Center 7859 is at -1.224566 4.890226 -2.696432 ESP Fit Center 7860 is at -1.296935 4.479802 -2.696432 ESP Fit Center 7861 is at -1.224566 4.069378 -2.696432 ESP Fit Center 7862 is at 0.723913 4.479802 -2.873234 ESP Fit Center 7863 is at 0.613941 4.890226 -2.873234 ESP Fit Center 7864 is at 0.313489 5.190678 -2.873234 ESP Fit Center 7865 is at -0.096935 5.300650 -2.873234 ESP Fit Center 7866 is at -0.507359 5.190678 -2.873234 ESP Fit Center 7867 is at -0.807811 4.890226 -2.873234 ESP Fit Center 7868 is at -0.917783 4.479802 -2.873234 ESP Fit Center 7869 is at -0.807811 4.069378 -2.873234 ESP Fit Center 7870 is at 0.319821 4.479802 -2.981510 ESP Fit Center 7871 is at 0.111443 4.840723 -2.981510 ESP Fit Center 7872 is at -0.305313 4.840723 -2.981510 ESP Fit Center 7873 is at -0.513691 4.479802 -2.981510 ESP Fit Center 7874 is at -0.305313 4.118881 -2.981510 ESP Fit Center 7875 is at 0.111443 4.118881 -2.981510 ESP Fit Center 7876 is at -0.096935 4.479802 -3.017971 ESP Fit Center 7877 is at 3.995260 1.088227 2.621370 ESP Fit Center 7878 is at 4.819326 1.005896 2.334080 ESP Fit Center 7879 is at 4.468979 1.220590 2.334080 ESP Fit Center 7880 is at 4.089359 1.377833 2.334080 ESP Fit Center 7881 is at 5.709424 0.448627 2.013381 ESP Fit Center 7882 is at 5.462519 0.778453 2.013381 ESP Fit Center 7883 is at 5.171188 1.069784 2.013381 ESP Fit Center 7884 is at 4.841362 1.316689 2.013381 ESP Fit Center 7885 is at 4.479754 1.514142 2.013381 ESP Fit Center 7886 is at 4.093727 1.658122 2.013381 ESP Fit Center 7887 is at 5.447580 1.128519 1.663610 ESP Fit Center 7888 is at 5.129535 1.397409 1.663610 ESP Fit Center 7889 is at 4.778490 1.621508 1.663610 ESP Fit Center 7890 is at 4.400707 1.796818 1.663610 ESP Fit Center 7891 is at 0.709830 -2.877000 1.663610 ESP Fit Center 7892 is at 5.726946 -3.044740 1.663610 ESP Fit Center 7893 is at 5.962651 -2.701379 1.663610 ESP Fit Center 7894 is at 5.387239 1.434440 1.289497 ESP Fit Center 7895 is at 5.051401 1.678441 1.289497 ESP Fit Center 7896 is at 4.687631 1.878425 1.289497 ESP Fit Center 7897 is at 4.301664 2.031240 1.289497 ESP Fit Center 7898 is at 0.605915 -3.055521 1.289497 ESP Fit Center 7899 is at 0.870521 -3.375375 1.289497 ESP Fit Center 7900 is at 1.173129 -3.659543 1.289497 ESP Fit Center 7901 is at 1.508967 -3.903543 1.289497 ESP Fit Center 7902 is at 4.687631 -4.103528 1.289497 ESP Fit Center 7903 is at 5.051401 -3.903543 1.289497 ESP Fit Center 7904 is at 5.387239 -3.659543 1.289497 ESP Fit Center 7905 is at 5.689847 -3.375375 1.289497 ESP Fit Center 7906 is at 5.954453 -3.055521 1.289497 ESP Fit Center 7907 is at 6.176884 -2.705026 1.289497 ESP Fit Center 7908 is at 6.353633 -2.329416 1.289497 ESP Fit Center 7909 is at 5.239304 1.725724 0.896102 ESP Fit Center 7910 is at 4.882904 1.941176 0.896102 ESP Fit Center 7911 is at 4.503132 2.112098 0.896102 ESP Fit Center 7912 is at 0.441908 -3.071671 0.896102 ESP Fit Center 7913 is at 0.698748 -3.399504 0.896102 ESP Fit Center 7914 is at 0.993232 -3.693987 0.896102 ESP Fit Center 7915 is at 1.321064 -3.950827 0.896102 ESP Fit Center 7916 is at 1.677464 -4.166279 0.896102 ESP Fit Center 7917 is at 2.057236 -4.337200 0.896102 ESP Fit Center 7918 is at 2.454841 -4.461099 0.896102 ESP Fit Center 7919 is at 2.864482 -4.536168 0.896102 ESP Fit Center 7920 is at 3.280184 -4.561313 0.896102 ESP Fit Center 7921 is at 3.695886 -4.536168 0.896102 ESP Fit Center 7922 is at 4.105527 -4.461099 0.896102 ESP Fit Center 7923 is at 4.503132 -4.337200 0.896102 ESP Fit Center 7924 is at 4.882904 -4.166279 0.896102 ESP Fit Center 7925 is at 5.239304 -3.950827 0.896102 ESP Fit Center 7926 is at 5.567136 -3.693987 0.896102 ESP Fit Center 7927 is at 5.861620 -3.399504 0.896102 ESP Fit Center 7928 is at 6.118460 -3.071671 0.896102 ESP Fit Center 7929 is at 6.333911 -2.715271 0.896102 ESP Fit Center 7930 is at 5.052838 1.957776 0.488744 ESP Fit Center 7931 is at 4.684409 2.142808 0.488744 ESP Fit Center 7932 is at 0.318122 -3.060730 0.488744 ESP Fit Center 7933 is at 1.875959 -4.367910 0.488744 ESP Fit Center 7934 is at 2.263378 -4.508919 0.488744 ESP Fit Center 7935 is at 2.664548 -4.603998 0.488744 ESP Fit Center 7936 is at 3.074043 -4.651861 0.488744 ESP Fit Center 7937 is at 3.486325 -4.651861 0.488744 ESP Fit Center 7938 is at 3.895820 -4.603998 0.488744 ESP Fit Center 7939 is at 4.296990 -4.508919 0.488744 ESP Fit Center 7940 is at 4.684409 -4.367910 0.488744 ESP Fit Center 7941 is at 5.052838 -4.182878 0.488744 ESP Fit Center 7942 is at 5.397295 -3.956325 0.488744 ESP Fit Center 7943 is at 5.713122 -3.691315 0.488744 ESP Fit Center 7944 is at 5.996047 -3.391431 0.488744 ESP Fit Center 7945 is at 6.242246 -3.060730 0.488744 ESP Fit Center 7946 is at 6.448387 -2.703682 0.488744 ESP Fit Center 7947 is at 4.703659 2.187434 0.072932 ESP Fit Center 7948 is at 2.656108 -4.651861 0.072932 ESP Fit Center 7949 is at 3.071217 -4.700380 0.072932 ESP Fit Center 7950 is at 3.489151 -4.700380 0.072932 ESP Fit Center 7951 is at 3.904260 -4.651861 0.072932 ESP Fit Center 7952 is at 4.310929 -4.555479 0.072932 ESP Fit Center 7953 is at 4.703659 -4.412537 0.072932 ESP Fit Center 7954 is at 5.077139 -4.224968 0.072932 ESP Fit Center 7955 is at 5.426318 -3.995309 0.072932 ESP Fit Center 7956 is at 5.746474 -3.726666 0.072932 ESP Fit Center 7957 is at 6.033278 -3.422672 0.072932 ESP Fit Center 7958 is at 6.282852 -3.087437 0.072932 ESP Fit Center 7959 is at 4.703659 2.187434 -0.345711 ESP Fit Center 7960 is at 3.071217 -4.700380 -0.345711 ESP Fit Center 7961 is at 3.489151 -4.700380 -0.345711 ESP Fit Center 7962 is at 3.904260 -4.651861 -0.345711 ESP Fit Center 7963 is at 4.310929 -4.555479 -0.345711 ESP Fit Center 7964 is at 4.703659 -4.412537 -0.345711 ESP Fit Center 7965 is at 5.077139 -4.224968 -0.345711 ESP Fit Center 7966 is at 5.426318 -3.995309 -0.345711 ESP Fit Center 7967 is at 5.746474 -3.726666 -0.345711 ESP Fit Center 7968 is at 6.033278 -3.422672 -0.345711 ESP Fit Center 7969 is at 6.282852 -3.087437 -0.345711 ESP Fit Center 7970 is at 4.684409 2.142808 -0.761523 ESP Fit Center 7971 is at 4.296990 2.283817 -0.761523 ESP Fit Center 7972 is at 3.486325 -4.651861 -0.761523 ESP Fit Center 7973 is at 3.895820 -4.603998 -0.761523 ESP Fit Center 7974 is at 4.296990 -4.508919 -0.761523 ESP Fit Center 7975 is at 4.684409 -4.367910 -0.761523 ESP Fit Center 7976 is at 5.052838 -4.182878 -0.761523 ESP Fit Center 7977 is at 5.397295 -3.956325 -0.761523 ESP Fit Center 7978 is at 5.713122 -3.691315 -0.761523 ESP Fit Center 7979 is at 5.996047 -3.391431 -0.761523 ESP Fit Center 7980 is at 6.242246 -3.060730 -0.761523 ESP Fit Center 7981 is at 4.503132 2.112098 -1.168881 ESP Fit Center 7982 is at 4.105527 2.235996 -1.168881 ESP Fit Center 7983 is at 4.105527 -4.461099 -1.168881 ESP Fit Center 7984 is at 4.503132 -4.337200 -1.168881 ESP Fit Center 7985 is at 4.882904 -4.166279 -1.168881 ESP Fit Center 7986 is at 5.239304 -3.950827 -1.168881 ESP Fit Center 7987 is at 5.567136 -3.693987 -1.168881 ESP Fit Center 7988 is at 5.861620 -3.399504 -1.168881 ESP Fit Center 7989 is at 6.118460 -3.071671 -1.168881 ESP Fit Center 7990 is at 4.687631 1.878425 -1.562277 ESP Fit Center 7991 is at 4.301664 2.031240 -1.562277 ESP Fit Center 7992 is at 3.899588 2.134476 -1.562277 ESP Fit Center 7993 is at 4.301664 -4.256343 -1.562277 ESP Fit Center 7994 is at 4.687631 -4.103528 -1.562277 ESP Fit Center 7995 is at 5.051401 -3.903543 -1.562277 ESP Fit Center 7996 is at 5.387239 -3.659543 -1.562277 ESP Fit Center 7997 is at 5.689847 -3.375375 -1.562277 ESP Fit Center 7998 is at 5.954453 -3.055521 -1.562277 ESP Fit Center 7999 is at 4.400707 1.796818 -1.936390 ESP Fit Center 8000 is at 4.002928 1.920210 -1.936390 ESP Fit Center 8001 is at 3.592252 1.989483 -1.936390 ESP Fit Center 8002 is at 4.400707 -4.021920 -1.936390 ESP Fit Center 8003 is at 4.778490 -3.846610 -1.936390 ESP Fit Center 8004 is at 5.129535 -3.622511 -1.936390 ESP Fit Center 8005 is at 5.447580 -3.353622 -1.936390 ESP Fit Center 8006 is at 5.726946 -3.044740 -1.936390 ESP Fit Center 8007 is at 5.962651 -2.701379 -1.936390 ESP Fit Center 8008 is at 4.479754 1.514142 -2.286161 ESP Fit Center 8009 is at 4.093727 1.658122 -2.286161 ESP Fit Center 8010 is at 3.691139 1.745700 -2.286161 ESP Fit Center 8011 is at 3.280184 1.775092 -2.286161 ESP Fit Center 8012 is at 4.479754 -3.739244 -2.286161 ESP Fit Center 8013 is at 4.841362 -3.541791 -2.286161 ESP Fit Center 8014 is at 5.171188 -3.294887 -2.286161 ESP Fit Center 8015 is at 5.462519 -3.003556 -2.286161 ESP Fit Center 8016 is at 5.709424 -2.673729 -2.286161 ESP Fit Center 8017 is at 4.468979 1.220590 -2.606860 ESP Fit Center 8018 is at 4.089359 1.377833 -2.606860 ESP Fit Center 8019 is at 3.689815 1.473755 -2.606860 ESP Fit Center 8020 is at 3.280184 1.505994 -2.606860 ESP Fit Center 8021 is at 2.870553 1.473755 -2.606860 ESP Fit Center 8022 is at 4.468979 -3.445692 -2.606860 ESP Fit Center 8023 is at 4.819326 -3.230999 -2.606860 ESP Fit Center 8024 is at 5.131775 -2.964142 -2.606860 ESP Fit Center 8025 is at 5.398632 -2.651693 -2.606860 ESP Fit Center 8026 is at 5.613325 -2.301346 -2.606860 ESP Fit Center 8027 is at 4.722962 0.696635 -2.894150 ESP Fit Center 8028 is at 4.376733 0.925178 -2.894150 ESP Fit Center 8029 is at 3.995260 1.088227 -2.894150 ESP Fit Center 8030 is at 3.590805 1.180542 -2.894150 ESP Fit Center 8031 is at 3.176365 1.199154 -2.894150 ESP Fit Center 8032 is at 2.765263 1.143467 -2.894150 ESP Fit Center 8033 is at 4.376733 -3.150280 -2.894150 ESP Fit Center 8034 is at 4.722962 -2.921737 -2.894150 ESP Fit Center 8035 is at 5.022818 -2.635045 -2.894150 ESP Fit Center 8036 is at 5.266665 -2.299418 -2.894150 ESP Fit Center 8037 is at 5.446665 -1.925645 -2.894150 ESP Fit Center 8038 is at 5.258416 -1.112551 -3.144146 ESP Fit Center 8039 is at 4.880608 0.050225 -3.144146 ESP Fit Center 8040 is at 4.603880 0.357562 -3.144146 ESP Fit Center 8041 is at 4.269300 0.600648 -3.144146 ESP Fit Center 8042 is at 3.891491 0.768860 -3.144146 ESP Fit Center 8043 is at 3.486966 0.854844 -3.144146 ESP Fit Center 8044 is at 3.073402 0.854844 -3.144146 ESP Fit Center 8045 is at 2.668877 0.768860 -3.144146 ESP Fit Center 8046 is at 4.269300 -2.825751 -3.144146 ESP Fit Center 8047 is at 4.603880 -2.582664 -3.144146 ESP Fit Center 8048 is at 4.880608 -2.275327 -3.144146 ESP Fit Center 8049 is at 5.087389 -1.917171 -3.144146 ESP Fit Center 8050 is at 5.215187 -1.523849 -3.144146 ESP Fit Center 8051 is at 4.895861 -1.112551 -3.353467 ESP Fit Center 8052 is at 4.840808 -0.694383 -3.353467 ESP Fit Center 8053 is at 4.679401 -0.304713 -3.353467 ESP Fit Center 8054 is at 4.422640 0.029905 -3.353467 ESP Fit Center 8055 is at 4.088023 0.286666 -3.353467 ESP Fit Center 8056 is at 3.698352 0.448073 -3.353467 ESP Fit Center 8057 is at 3.280184 0.503126 -3.353467 ESP Fit Center 8058 is at 2.862016 0.448073 -3.353467 ESP Fit Center 8059 is at 2.472346 0.286666 -3.353467 ESP Fit Center 8060 is at 4.088023 -2.511769 -3.353467 ESP Fit Center 8061 is at 4.422640 -2.255007 -3.353467 ESP Fit Center 8062 is at 4.679401 -1.920390 -3.353467 ESP Fit Center 8063 is at 4.840808 -1.530719 -3.353467 ESP Fit Center 8064 is at 4.511457 -1.112551 -3.519283 ESP Fit Center 8065 is at 4.437202 -0.691431 -3.519283 ESP Fit Center 8066 is at 4.223394 -0.321104 -3.519283 ESP Fit Center 8067 is at 3.895820 -0.046238 -3.519283 ESP Fit Center 8068 is at 3.493992 0.100016 -3.519283 ESP Fit Center 8069 is at 3.066376 0.100016 -3.519283 ESP Fit Center 8070 is at 2.664548 -0.046238 -3.519283 ESP Fit Center 8071 is at 2.336975 -0.321104 -3.519283 ESP Fit Center 8072 is at 2.123166 -0.691431 -3.519283 ESP Fit Center 8073 is at 3.895820 -2.178864 -3.519283 ESP Fit Center 8074 is at 4.223394 -1.903998 -3.519283 ESP Fit Center 8075 is at 4.437202 -1.533671 -3.519283 ESP Fit Center 8076 is at 4.110401 -1.112551 -3.639351 ESP Fit Center 8077 is at 3.999173 -0.697443 -3.639351 ESP Fit Center 8078 is at 3.695293 -0.393562 -3.639351 ESP Fit Center 8079 is at 3.280184 -0.282334 -3.639351 ESP Fit Center 8080 is at 2.865075 -0.393562 -3.639351 ESP Fit Center 8081 is at 2.561195 -0.697443 -3.639351 ESP Fit Center 8082 is at 2.449967 -1.112551 -3.639351 ESP Fit Center 8083 is at 3.695293 -1.831540 -3.639351 ESP Fit Center 8084 is at 3.999173 -1.527660 -3.639351 ESP Fit Center 8085 is at 3.698119 -1.112551 -3.712048 ESP Fit Center 8086 is at 3.489151 -0.750609 -3.712048 ESP Fit Center 8087 is at 3.071217 -0.750609 -3.712048 ESP Fit Center 8088 is at 2.862250 -1.112551 -3.712048 ESP Fit Center 8089 is at 3.071217 -1.474493 -3.712048 ESP Fit Center 8090 is at 3.489151 -1.474493 -3.712048 ESP Fit Center 8091 is at 3.280184 -1.112551 -3.736390 ESP Fit Center 8092 is at 6.198630 -0.314560 1.894805 ESP Fit Center 8093 is at 6.041057 0.065854 1.894805 ESP Fit Center 8094 is at 6.579563 -0.722794 1.633881 ESP Fit Center 8095 is at 6.535037 -0.313387 1.633881 ESP Fit Center 8096 is at 6.403541 0.076878 1.633881 ESP Fit Center 8097 is at 6.191225 0.429750 1.633881 ESP Fit Center 8098 is at 5.908015 0.728731 1.633881 ESP Fit Center 8099 is at 6.403541 -1.522466 1.633881 ESP Fit Center 8100 is at 6.535037 -1.132202 1.633881 ESP Fit Center 8101 is at 6.864207 -0.722794 1.327107 ESP Fit Center 8102 is at 6.824647 -0.308499 1.327107 ESP Fit Center 8103 is at 6.707395 0.090822 1.327107 ESP Fit Center 8104 is at 6.516691 0.460738 1.327107 ESP Fit Center 8105 is at 6.259425 0.787877 1.327107 ESP Fit Center 8106 is at 5.944898 1.060417 1.327107 ESP Fit Center 8107 is at 5.584476 1.268507 1.327107 ESP Fit Center 8108 is at 6.516691 -1.906326 1.327107 ESP Fit Center 8109 is at 6.707395 -1.536411 1.327107 ESP Fit Center 8110 is at 6.824647 -1.137090 1.327107 ESP Fit Center 8111 is at 7.099950 -0.722794 0.981336 ESP Fit Center 8112 is at 7.065070 -0.312989 0.981336 ESP Fit Center 8113 is at 6.961435 0.085027 0.981336 ESP Fit Center 8114 is at 6.792026 0.459803 0.981336 ESP Fit Center 8115 is at 6.561715 0.800558 0.981336 ESP Fit Center 8116 is at 6.277130 1.097489 0.981336 ESP Fit Center 8117 is at 5.946456 1.342054 0.981336 ESP Fit Center 8118 is at 5.579208 1.527217 0.981336 ESP Fit Center 8119 is at 6.561715 -2.246147 0.981336 ESP Fit Center 8120 is at 6.792026 -1.905392 0.981336 ESP Fit Center 8121 is at 6.961435 -1.530615 0.981336 ESP Fit Center 8122 is at 7.065070 -1.132600 0.981336 ESP Fit Center 8123 is at 7.281525 -0.722794 0.604291 ESP Fit Center 8124 is at 7.249436 -0.315056 0.604291 ESP Fit Center 8125 is at 7.153957 0.082642 0.604291 ESP Fit Center 8126 is at 6.997440 0.460508 0.604291 ESP Fit Center 8127 is at 6.783738 0.809236 0.604291 ESP Fit Center 8128 is at 6.518115 1.120242 0.604291 ESP Fit Center 8129 is at 6.207110 1.385865 0.604291 ESP Fit Center 8130 is at 5.858381 1.599566 0.604291 ESP Fit Center 8131 is at 5.480515 1.756084 0.604291 ESP Fit Center 8132 is at 6.518115 -2.565830 0.604291 ESP Fit Center 8133 is at 6.783738 -2.254825 0.604291 ESP Fit Center 8134 is at 6.997440 -1.906096 0.604291 ESP Fit Center 8135 is at 7.153957 -1.528231 0.604291 ESP Fit Center 8136 is at 7.249436 -1.130532 0.604291 ESP Fit Center 8137 is at 7.404877 -0.722794 0.204395 ESP Fit Center 8138 is at 7.372885 -0.306093 0.204395 ESP Fit Center 8139 is at 7.277659 0.100842 0.204395 ESP Fit Center 8140 is at 7.121430 0.488471 0.204395 ESP Fit Center 8141 is at 6.907861 0.847709 0.204395 ESP Fit Center 8142 is at 6.641957 1.170136 0.204395 ESP Fit Center 8143 is at 6.329952 1.448195 0.204395 ESP Fit Center 8144 is at 5.979158 1.675367 0.204395 ESP Fit Center 8145 is at 5.597797 1.846328 0.204395 ESP Fit Center 8146 is at 5.194808 1.957071 0.204395 ESP Fit Center 8147 is at 6.641957 -2.615725 0.204395 ESP Fit Center 8148 is at 6.907861 -2.293298 0.204395 ESP Fit Center 8149 is at 7.121430 -1.934060 0.204395 ESP Fit Center 8150 is at 7.277659 -1.546431 0.204395 ESP Fit Center 8151 is at 7.372885 -1.139496 0.204395 ESP Fit Center 8152 is at 7.467249 -0.722794 -0.209420 ESP Fit Center 8153 is at 7.436063 -0.306643 -0.209420 ESP Fit Center 8154 is at 7.343201 0.100212 -0.209420 ESP Fit Center 8155 is at 7.190738 0.488683 -0.209420 ESP Fit Center 8156 is at 6.982079 0.850091 -0.209420 ESP Fit Center 8157 is at 6.721885 1.176364 -0.209420 ESP Fit Center 8158 is at 6.415969 1.460213 -0.209420 ESP Fit Center 8159 is at 6.071164 1.695296 -0.209420 ESP Fit Center 8160 is at 5.695173 1.876364 -0.209420 ESP Fit Center 8161 is at 5.296395 1.999371 -0.209420 ESP Fit Center 8162 is at 6.415969 -2.905801 -0.209420 ESP Fit Center 8163 is at 6.721885 -2.621953 -0.209420 ESP Fit Center 8164 is at 6.982079 -2.295680 -0.209420 ESP Fit Center 8165 is at 7.190738 -1.934272 -0.209420 ESP Fit Center 8166 is at 7.343201 -1.545801 -0.209420 ESP Fit Center 8167 is at 7.436063 -1.138946 -0.209420 ESP Fit Center 8168 is at 7.467249 -0.722794 -0.627908 ESP Fit Center 8169 is at 7.436063 -0.306643 -0.627908 ESP Fit Center 8170 is at 7.343201 0.100212 -0.627908 ESP Fit Center 8171 is at 7.190738 0.488683 -0.627908 ESP Fit Center 8172 is at 6.982079 0.850091 -0.627908 ESP Fit Center 8173 is at 6.721885 1.176364 -0.627908 ESP Fit Center 8174 is at 6.415969 1.460213 -0.627908 ESP Fit Center 8175 is at 6.071164 1.695296 -0.627908 ESP Fit Center 8176 is at 5.695173 1.876364 -0.627908 ESP Fit Center 8177 is at 5.296395 1.999371 -0.627908 ESP Fit Center 8178 is at 6.415969 -2.905801 -0.627908 ESP Fit Center 8179 is at 6.721885 -2.621953 -0.627908 ESP Fit Center 8180 is at 6.982079 -2.295680 -0.627908 ESP Fit Center 8181 is at 7.190738 -1.934272 -0.627908 ESP Fit Center 8182 is at 7.343201 -1.545801 -0.627908 ESP Fit Center 8183 is at 7.436063 -1.138946 -0.627908 ESP Fit Center 8184 is at 7.404877 -0.722794 -1.041723 ESP Fit Center 8185 is at 7.372885 -0.306093 -1.041723 ESP Fit Center 8186 is at 7.277659 0.100842 -1.041723 ESP Fit Center 8187 is at 7.121430 0.488471 -1.041723 ESP Fit Center 8188 is at 6.907861 0.847709 -1.041723 ESP Fit Center 8189 is at 6.641957 1.170136 -1.041723 ESP Fit Center 8190 is at 6.329952 1.448195 -1.041723 ESP Fit Center 8191 is at 5.979158 1.675367 -1.041723 ESP Fit Center 8192 is at 5.597797 1.846328 -1.041723 ESP Fit Center 8193 is at 5.194808 1.957071 -1.041723 ESP Fit Center 8194 is at 6.329952 -2.893783 -1.041723 ESP Fit Center 8195 is at 6.641957 -2.615725 -1.041723 ESP Fit Center 8196 is at 6.907861 -2.293298 -1.041723 ESP Fit Center 8197 is at 7.121430 -1.934060 -1.041723 ESP Fit Center 8198 is at 7.277659 -1.546431 -1.041723 ESP Fit Center 8199 is at 7.372885 -1.139496 -1.041723 ESP Fit Center 8200 is at 7.281525 -0.722794 -1.441619 ESP Fit Center 8201 is at 7.249436 -0.315056 -1.441619 ESP Fit Center 8202 is at 7.153957 0.082642 -1.441619 ESP Fit Center 8203 is at 6.997440 0.460508 -1.441619 ESP Fit Center 8204 is at 6.783738 0.809236 -1.441619 ESP Fit Center 8205 is at 6.518115 1.120242 -1.441619 ESP Fit Center 8206 is at 6.207110 1.385865 -1.441619 ESP Fit Center 8207 is at 5.858381 1.599566 -1.441619 ESP Fit Center 8208 is at 5.480515 1.756084 -1.441619 ESP Fit Center 8209 is at 5.082817 1.851562 -1.441619 ESP Fit Center 8210 is at 6.207110 -2.831454 -1.441619 ESP Fit Center 8211 is at 6.518115 -2.565830 -1.441619 ESP Fit Center 8212 is at 6.783738 -2.254825 -1.441619 ESP Fit Center 8213 is at 6.997440 -1.906096 -1.441619 ESP Fit Center 8214 is at 7.153957 -1.528231 -1.441619 ESP Fit Center 8215 is at 7.249436 -1.130532 -1.441619 ESP Fit Center 8216 is at 7.099950 -0.722794 -1.818664 ESP Fit Center 8217 is at 7.065070 -0.312989 -1.818664 ESP Fit Center 8218 is at 6.961435 0.085027 -1.818664 ESP Fit Center 8219 is at 6.792026 0.459803 -1.818664 ESP Fit Center 8220 is at 6.561715 0.800558 -1.818664 ESP Fit Center 8221 is at 6.277130 1.097489 -1.818664 ESP Fit Center 8222 is at 5.946456 1.342054 -1.818664 ESP Fit Center 8223 is at 5.579208 1.527217 -1.818664 ESP Fit Center 8224 is at 5.185949 1.647651 -1.818664 ESP Fit Center 8225 is at 4.777993 1.699892 -1.818664 ESP Fit Center 8226 is at 6.277130 -2.543078 -1.818664 ESP Fit Center 8227 is at 6.561715 -2.246147 -1.818664 ESP Fit Center 8228 is at 6.792026 -1.905392 -1.818664 ESP Fit Center 8229 is at 6.961435 -1.530615 -1.818664 ESP Fit Center 8230 is at 7.065070 -1.132600 -1.818664 ESP Fit Center 8231 is at 6.864207 -0.722794 -2.164435 ESP Fit Center 8232 is at 6.824647 -0.308499 -2.164435 ESP Fit Center 8233 is at 6.707395 0.090822 -2.164435 ESP Fit Center 8234 is at 6.516691 0.460738 -2.164435 ESP Fit Center 8235 is at 6.259425 0.787877 -2.164435 ESP Fit Center 8236 is at 5.944898 1.060417 -2.164435 ESP Fit Center 8237 is at 5.584476 1.268507 -2.164435 ESP Fit Center 8238 is at 5.191185 1.404626 -2.164435 ESP Fit Center 8239 is at 4.779242 1.463854 -2.164435 ESP Fit Center 8240 is at 5.944898 -2.506006 -2.164435 ESP Fit Center 8241 is at 6.259425 -2.233466 -2.164435 ESP Fit Center 8242 is at 6.516691 -1.906326 -2.164435 ESP Fit Center 8243 is at 6.707395 -1.536411 -2.164435 ESP Fit Center 8244 is at 6.824647 -1.137090 -2.164435 ESP Fit Center 8245 is at 6.579563 -0.722794 -2.471209 ESP Fit Center 8246 is at 6.535037 -0.313387 -2.471209 ESP Fit Center 8247 is at 6.403541 0.076878 -2.471209 ESP Fit Center 8248 is at 6.191225 0.429750 -2.471209 ESP Fit Center 8249 is at 5.908015 0.728731 -2.471209 ESP Fit Center 8250 is at 5.567155 0.959840 -2.471209 ESP Fit Center 8251 is at 5.184582 1.112271 -2.471209 ESP Fit Center 8252 is at 5.908015 -2.174320 -2.471209 ESP Fit Center 8253 is at 6.191225 -1.875339 -2.471209 ESP Fit Center 8254 is at 6.403541 -1.522466 -2.471209 ESP Fit Center 8255 is at 6.535037 -1.132202 -2.471209 ESP Fit Center 8256 is at 6.252375 -0.722794 -2.732133 ESP Fit Center 8257 is at 6.198630 -0.314560 -2.732133 ESP Fit Center 8258 is at 6.041057 0.065854 -2.732133 ESP Fit Center 8259 is at 5.790396 0.392522 -2.732133 ESP Fit Center 8260 is at 5.463727 0.643184 -2.732133 ESP Fit Center 8261 is at 5.083313 0.800757 -2.732133 ESP Fit Center 8262 is at 5.790396 -1.838111 -2.732133 ESP Fit Center 8263 is at 6.041057 -1.511442 -2.732133 ESP Fit Center 8264 is at 6.198630 -1.131029 -2.732133 ESP Fit Center 8265 is at 5.889953 -0.722794 -2.941377 ESP Fit Center 8266 is at 5.816687 -0.307283 -2.941377 ESP Fit Center 8267 is at 5.605727 0.058112 -2.941377 ESP Fit Center 8268 is at 5.282516 0.329318 -2.941377 ESP Fit Center 8269 is at 4.886040 0.473623 -2.941377 ESP Fit Center 8270 is at 5.605727 -1.503701 -2.941377 ESP Fit Center 8271 is at 5.816687 -1.138306 -2.941377 ESP Fit Center 8272 is at 5.500393 -0.722794 -3.094268 ESP Fit Center 8273 is at 5.389822 -0.310137 -3.094268 ESP Fit Center 8274 is at 5.087736 -0.008051 -3.094268 ESP Fit Center 8275 is at 5.389822 -1.135452 -3.094268 ESP Fit Center 8276 is at 0.272953 -3.024440 0.432855 ESP Fit Center 8277 is at 0.473535 -3.383499 0.432855 ESP Fit Center 8278 is at 0.731914 -3.703495 0.432855 ESP Fit Center 8279 is at 1.040656 -3.975222 0.432855 ESP Fit Center 8280 is at 1.390879 -4.190863 0.432855 ESP Fit Center 8281 is at 1.772507 -4.344213 0.432855 ESP Fit Center 8282 is at 0.003687 -2.831069 0.055809 ESP Fit Center 8283 is at 0.160204 -3.208934 0.055809 ESP Fit Center 8284 is at 0.373905 -3.557663 0.055809 ESP Fit Center 8285 is at 0.639529 -3.868668 0.055809 ESP Fit Center 8286 is at 0.950534 -4.134292 0.055809 ESP Fit Center 8287 is at 1.299263 -4.347993 0.055809 ESP Fit Center 8288 is at 1.677128 -4.504510 0.055809 ESP Fit Center 8289 is at 2.074827 -4.599989 0.055809 ESP Fit Center 8290 is at 2.482565 -4.632079 0.055809 ESP Fit Center 8291 is at -0.049330 -3.046078 -0.344087 ESP Fit Center 8292 is at 0.136113 -3.420610 -0.344087 ESP Fit Center 8293 is at 0.376555 -3.762446 -0.344087 ESP Fit Center 8294 is at 0.666360 -4.063572 -0.344087 ESP Fit Center 8295 is at 0.998735 -4.316931 -0.344087 ESP Fit Center 8296 is at 1.365890 -4.516583 -0.344087 ESP Fit Center 8297 is at 1.759219 -4.657850 -0.344087 ESP Fit Center 8298 is at 2.169502 -4.737420 -0.344087 ESP Fit Center 8299 is at 2.587123 -4.753427 -0.344087 ESP Fit Center 8300 is at 3.002294 -4.705498 -0.344087 ESP Fit Center 8301 is at -0.185558 -2.848639 -0.757901 ESP Fit Center 8302 is at -0.033094 -3.237110 -0.757901 ESP Fit Center 8303 is at 0.175565 -3.598518 -0.757901 ESP Fit Center 8304 is at 0.435759 -3.924791 -0.757901 ESP Fit Center 8305 is at 0.741675 -4.208639 -0.757901 ESP Fit Center 8306 is at 1.086479 -4.443723 -0.757901 ESP Fit Center 8307 is at 1.462470 -4.624791 -0.757901 ESP Fit Center 8308 is at 1.861248 -4.747797 -0.757901 ESP Fit Center 8309 is at 2.273905 -4.809996 -0.757901 ESP Fit Center 8310 is at 2.691224 -4.809996 -0.757901 ESP Fit Center 8311 is at 3.103881 -4.747797 -0.757901 ESP Fit Center 8312 is at -0.185558 -2.848639 -1.176390 ESP Fit Center 8313 is at -0.033094 -3.237110 -1.176390 ESP Fit Center 8314 is at 0.175565 -3.598518 -1.176390 ESP Fit Center 8315 is at 0.435759 -3.924791 -1.176390 ESP Fit Center 8316 is at 0.741675 -4.208639 -1.176390 ESP Fit Center 8317 is at 1.086479 -4.443723 -1.176390 ESP Fit Center 8318 is at 1.462470 -4.624791 -1.176390 ESP Fit Center 8319 is at 1.861248 -4.747797 -1.176390 ESP Fit Center 8320 is at 2.273905 -4.809996 -1.176390 ESP Fit Center 8321 is at 2.691224 -4.809996 -1.176390 ESP Fit Center 8322 is at 3.103881 -4.747797 -1.176390 ESP Fit Center 8323 is at 3.502659 -4.624791 -1.176390 ESP Fit Center 8324 is at -0.175427 -2.647626 -1.590204 ESP Fit Center 8325 is at -0.049330 -3.046078 -1.590204 ESP Fit Center 8326 is at 0.136113 -3.420610 -1.590204 ESP Fit Center 8327 is at 0.376555 -3.762446 -1.590204 ESP Fit Center 8328 is at 0.666360 -4.063572 -1.590204 ESP Fit Center 8329 is at 0.998735 -4.316931 -1.590204 ESP Fit Center 8330 is at 1.365890 -4.516583 -1.590204 ESP Fit Center 8331 is at 1.759219 -4.657850 -1.590204 ESP Fit Center 8332 is at 2.169502 -4.737420 -1.590204 ESP Fit Center 8333 is at 2.587123 -4.753427 -1.590204 ESP Fit Center 8334 is at 3.002294 -4.705498 -1.590204 ESP Fit Center 8335 is at 3.405282 -4.594755 -1.590204 ESP Fit Center 8336 is at 3.786643 -4.423794 -1.590204 ESP Fit Center 8337 is at -0.091792 -2.433370 -1.990100 ESP Fit Center 8338 is at 0.003687 -2.831069 -1.990100 ESP Fit Center 8339 is at 0.160204 -3.208934 -1.990100 ESP Fit Center 8340 is at 0.373905 -3.557663 -1.990100 ESP Fit Center 8341 is at 0.639529 -3.868668 -1.990100 ESP Fit Center 8342 is at 0.950534 -4.134292 -1.990100 ESP Fit Center 8343 is at 1.299263 -4.347993 -1.990100 ESP Fit Center 8344 is at 1.677128 -4.504510 -1.990100 ESP Fit Center 8345 is at 2.074827 -4.599989 -1.990100 ESP Fit Center 8346 is at 2.482565 -4.632079 -1.990100 ESP Fit Center 8347 is at 2.890303 -4.599989 -1.990100 ESP Fit Center 8348 is at 3.288001 -4.504510 -1.990100 ESP Fit Center 8349 is at 3.665867 -4.347993 -1.990100 ESP Fit Center 8350 is at 4.014595 -4.134292 -1.990100 ESP Fit Center 8351 is at 0.135937 -2.636647 -2.367145 ESP Fit Center 8352 is at 0.272953 -3.024440 -2.367145 ESP Fit Center 8353 is at 0.473535 -3.383499 -2.367145 ESP Fit Center 8354 is at 0.731914 -3.703495 -2.367145 ESP Fit Center 8355 is at 1.040656 -3.975222 -2.367145 ESP Fit Center 8356 is at 1.390879 -4.190863 -2.367145 ESP Fit Center 8357 is at 1.772507 -4.344213 -2.367145 ESP Fit Center 8358 is at 2.174563 -4.430863 -2.367145 ESP Fit Center 8359 is at 2.585479 -4.448319 -2.367145 ESP Fit Center 8360 is at 2.993435 -4.396078 -2.367145 ESP Fit Center 8361 is at 3.386693 -4.275644 -2.367145 ESP Fit Center 8362 is at 3.753942 -4.090481 -2.367145 ESP Fit Center 8363 is at 4.084616 -3.845916 -2.367145 ESP Fit Center 8364 is at 0.303349 -2.233722 -2.712917 ESP Fit Center 8365 is at 0.382111 -2.642381 -2.712917 ESP Fit Center 8366 is at 0.536790 -3.028749 -2.712917 ESP Fit Center 8367 is at 0.761794 -3.378862 -2.712917 ESP Fit Center 8368 is at 1.048991 -3.680065 -2.712917 ESP Fit Center 8369 is at 1.388000 -3.921473 -2.712917 ESP Fit Center 8370 is at 1.766571 -4.094360 -2.712917 ESP Fit Center 8371 is at 2.171019 -4.192478 -2.712917 ESP Fit Center 8372 is at 2.586727 -4.212281 -2.712917 ESP Fit Center 8373 is at 2.998671 -4.153052 -2.712917 ESP Fit Center 8374 is at 3.391961 -4.016933 -2.712917 ESP Fit Center 8375 is at 3.752383 -3.808844 -2.712917 ESP Fit Center 8376 is at 4.066911 -3.536304 -2.712917 ESP Fit Center 8377 is at 0.589245 -2.231543 -3.019691 ESP Fit Center 8378 is at 0.677775 -2.633737 -3.019691 ESP Fit Center 8379 is at 0.850694 -3.007496 -3.019691 ESP Fit Center 8380 is at 1.099918 -3.335345 -3.019691 ESP Fit Center 8381 is at 1.413793 -3.601953 -3.019691 ESP Fit Center 8382 is at 1.777643 -3.794853 -3.019691 ESP Fit Center 8383 is at 2.174453 -3.905027 -3.019691 ESP Fit Center 8384 is at 2.585671 -3.927323 -3.019691 ESP Fit Center 8385 is at 2.992068 -3.860698 -3.019691 ESP Fit Center 8386 is at 3.374641 -3.708267 -3.019691 ESP Fit Center 8387 is at 3.715501 -3.477158 -3.019691 ESP Fit Center 8388 is at 3.998711 -3.178177 -3.019691 ESP Fit Center 8389 is at 0.905268 -2.025632 -3.280614 ESP Fit Center 8390 is at 0.959013 -2.433867 -3.280614 ESP Fit Center 8391 is at 1.116586 -2.814280 -3.280614 ESP Fit Center 8392 is at 1.367248 -3.140949 -3.280614 ESP Fit Center 8393 is at 1.693916 -3.391611 -3.280614 ESP Fit Center 8394 is at 2.074330 -3.549183 -3.280614 ESP Fit Center 8395 is at 2.482565 -3.602929 -3.280614 ESP Fit Center 8396 is at 2.890799 -3.549183 -3.280614 ESP Fit Center 8397 is at 3.271213 -3.391611 -3.280614 ESP Fit Center 8398 is at 3.597881 -3.140949 -3.280614 ESP Fit Center 8399 is at 3.848543 -2.814280 -3.280614 ESP Fit Center 8400 is at 1.340956 -1.610121 -3.489858 ESP Fit Center 8401 is at 1.267690 -2.025632 -3.489858 ESP Fit Center 8402 is at 1.340956 -2.441144 -3.489858 ESP Fit Center 8403 is at 1.551917 -2.806539 -3.489858 ESP Fit Center 8404 is at 1.875127 -3.077745 -3.489858 ESP Fit Center 8405 is at 2.271604 -3.222050 -3.489858 ESP Fit Center 8406 is at 2.693525 -3.222050 -3.489858 ESP Fit Center 8407 is at 3.090002 -3.077745 -3.489858 ESP Fit Center 8408 is at 3.413212 -2.806539 -3.489858 ESP Fit Center 8409 is at 3.624173 -2.441144 -3.489858 ESP Fit Center 8410 is at 3.307879 -2.025632 -3.642749 ESP Fit Center 8411 is at 2.069907 -1.310889 -3.642749 ESP Fit Center 8412 is at 1.767821 -1.612975 -3.642749 ESP Fit Center 8413 is at 1.657250 -2.025632 -3.642749 ESP Fit Center 8414 is at 1.767821 -2.438290 -3.642749 ESP Fit Center 8415 is at 2.069907 -2.740376 -3.642749 ESP Fit Center 8416 is at 2.482565 -2.850947 -3.642749 ESP Fit Center 8417 is at 2.895222 -2.740376 -3.642749 ESP Fit Center 8418 is at 3.197308 -2.438290 -3.642749 ESP Fit Center 8419 is at 2.899883 -2.025632 -3.735872 ESP Fit Center 8420 is at 2.691224 -1.664224 -3.735872 ESP Fit Center 8421 is at 2.273905 -1.664224 -3.735872 ESP Fit Center 8422 is at 2.065246 -2.025632 -3.735872 ESP Fit Center 8423 is at 2.273905 -2.387041 -3.735872 ESP Fit Center 8424 is at 2.691224 -2.387041 -3.735872 ESP Fit Center 8425 is at 2.482565 -2.025632 -3.767145 ESP Fit Center 8426 is at 3.254120 -1.693163 4.203127 ESP Fit Center 8427 is at 3.045461 -1.331754 4.171853 ESP Fit Center 8428 is at 2.836802 -1.693163 4.171853 ESP Fit Center 8429 is at 3.045461 -2.054571 4.171853 ESP Fit Center 8430 is at 3.462779 -2.054571 4.171853 ESP Fit Center 8431 is at 2.841463 -0.978419 4.078730 ESP Fit Center 8432 is at 2.539377 -1.280505 4.078730 ESP Fit Center 8433 is at 2.428805 -1.693163 4.078730 ESP Fit Center 8434 is at 2.539377 -2.105820 4.078730 ESP Fit Center 8435 is at 2.841463 -2.407906 4.078730 ESP Fit Center 8436 is at 3.254120 -2.518477 4.078730 ESP Fit Center 8437 is at 3.666777 -2.407906 4.078730 ESP Fit Center 8438 is at 3.043159 -0.496745 3.925839 ESP Fit Center 8439 is at 2.646683 -0.641050 3.925839 ESP Fit Center 8440 is at 2.323472 -0.912256 3.925839 ESP Fit Center 8441 is at 2.112511 -1.277651 3.925839 ESP Fit Center 8442 is at 2.039245 -1.693163 3.925839 ESP Fit Center 8443 is at 2.112511 -2.108674 3.925839 ESP Fit Center 8444 is at 2.323472 -2.474069 3.925839 ESP Fit Center 8445 is at 2.646683 -2.745275 3.925839 ESP Fit Center 8446 is at 3.043159 -2.889580 3.925839 ESP Fit Center 8447 is at 3.465081 -2.889580 3.925839 ESP Fit Center 8448 is at 3.861557 -2.745275 3.925839 ESP Fit Center 8449 is at 2.845886 -0.169612 3.716595 ESP Fit Center 8450 is at 2.465472 -0.327184 3.716595 ESP Fit Center 8451 is at 2.138803 -0.577846 3.716595 ESP Fit Center 8452 is at 1.888141 -0.904515 3.716595 ESP Fit Center 8453 is at 1.730569 -1.284928 3.716595 ESP Fit Center 8454 is at 1.676824 -1.693163 3.716595 ESP Fit Center 8455 is at 1.730569 -2.101397 3.716595 ESP Fit Center 8456 is at 1.888141 -2.481811 3.716595 ESP Fit Center 8457 is at 2.138803 -2.808479 3.716595 ESP Fit Center 8458 is at 2.465472 -3.059141 3.716595 ESP Fit Center 8459 is at 2.845886 -3.216714 3.716595 ESP Fit Center 8460 is at 3.254120 -3.270459 3.716595 ESP Fit Center 8461 is at 3.662354 -3.216714 3.716595 ESP Fit Center 8462 is at 4.042768 -3.059141 3.716595 ESP Fit Center 8463 is at 4.369437 -2.808479 3.716595 ESP Fit Center 8464 is at 2.946009 0.186232 3.455672 ESP Fit Center 8465 is at 2.549198 0.076058 3.455672 ESP Fit Center 8466 is at 2.185348 -0.116842 3.455672 ESP Fit Center 8467 is at 1.871473 -0.383450 3.455672 ESP Fit Center 8468 is at 1.622249 -0.711299 3.455672 ESP Fit Center 8469 is at 1.449330 -1.085058 3.455672 ESP Fit Center 8470 is at 1.360800 -1.487252 3.455672 ESP Fit Center 8471 is at 1.360800 -1.899074 3.455672 ESP Fit Center 8472 is at 1.449330 -2.301267 3.455672 ESP Fit Center 8473 is at 1.622249 -2.675027 3.455672 ESP Fit Center 8474 is at 1.871473 -3.002875 3.455672 ESP Fit Center 8475 is at 2.185348 -3.269483 3.455672 ESP Fit Center 8476 is at 2.549198 -3.462384 3.455672 ESP Fit Center 8477 is at 2.946009 -3.572558 3.455672 ESP Fit Center 8478 is at 3.357227 -3.594853 3.455672 ESP Fit Center 8479 is at 3.763623 -3.528228 3.455672 ESP Fit Center 8480 is at 4.146196 -3.375797 3.455672 ESP Fit Center 8481 is at 4.487056 -3.144688 3.455672 ESP Fit Center 8482 is at 1.074904 -1.485073 3.148898 ESP Fit Center 8483 is at 1.074904 -1.901252 3.148898 ESP Fit Center 8484 is at 1.153667 -2.309911 3.148898 ESP Fit Center 8485 is at 1.308345 -2.696279 3.148898 ESP Fit Center 8486 is at 1.533349 -3.046392 3.148898 ESP Fit Center 8487 is at 1.820546 -3.347595 3.148898 ESP Fit Center 8488 is at 2.159556 -3.589003 3.148898 ESP Fit Center 8489 is at 2.538126 -3.761891 3.148898 ESP Fit Center 8490 is at 2.942574 -3.860009 3.148898 ESP Fit Center 8491 is at 3.358283 -3.879811 3.148898 ESP Fit Center 8492 is at 3.770226 -3.820583 3.148898 ESP Fit Center 8493 is at 4.163517 -3.684464 3.148898 ESP Fit Center 8494 is at 4.523939 -3.476374 3.148898 ESP Fit Center 8495 is at 4.838466 -3.203834 3.148898 ESP Fit Center 8496 is at 0.907492 -2.304177 2.803127 ESP Fit Center 8497 is at 1.044508 -2.691970 2.803127 ESP Fit Center 8498 is at 1.245091 -3.051029 2.803127 ESP Fit Center 8499 is at 1.503469 -3.371025 2.803127 ESP Fit Center 8500 is at 1.812211 -3.642752 2.803127 ESP Fit Center 8501 is at 2.162434 -3.858393 2.803127 ESP Fit Center 8502 is at 2.544062 -4.011744 2.803127 ESP Fit Center 8503 is at 2.946118 -4.098393 2.803127 ESP Fit Center 8504 is at 3.357034 -4.115849 2.803127 ESP Fit Center 8505 is at 3.764990 -4.063608 2.803127 ESP Fit Center 8506 is at 4.158249 -3.943174 2.803127 ESP Fit Center 8507 is at 4.525497 -3.758011 2.803127 ESP Fit Center 8508 is at 4.856171 -3.513446 2.803127 ESP Fit Center 8509 is at 5.140756 -3.216515 2.803127 ESP Fit Center 8510 is at 0.775242 -2.498599 2.426081 ESP Fit Center 8511 is at 0.931759 -2.876465 2.426081 ESP Fit Center 8512 is at 1.145460 -3.225193 2.426081 ESP Fit Center 8513 is at 1.411084 -3.536199 2.426081 ESP Fit Center 8514 is at 1.722089 -3.801822 2.426081 ESP Fit Center 8515 is at 2.070818 -4.015523 2.426081 ESP Fit Center 8516 is at 2.448684 -4.172041 2.426081 ESP Fit Center 8517 is at 2.846382 -4.267519 2.426081 ESP Fit Center 8518 is at 3.254120 -4.299609 2.426081 ESP Fit Center 8519 is at 3.661858 -4.267519 2.426081 ESP Fit Center 8520 is at 4.059556 -4.172041 2.426081 ESP Fit Center 8521 is at 4.437422 -4.015523 2.426081 ESP Fit Center 8522 is at 4.786151 -3.801822 2.426081 ESP Fit Center 8523 is at 5.097156 -3.536199 2.426081 ESP Fit Center 8524 is at 5.362779 -3.225193 2.426081 ESP Fit Center 8525 is at 0.907668 -3.088140 2.026185 ESP Fit Center 8526 is at 1.148110 -3.429976 2.026185 ESP Fit Center 8527 is at 1.437915 -3.731102 2.026185 ESP Fit Center 8528 is at 1.770290 -3.984461 2.026185 ESP Fit Center 8529 is at 2.137445 -4.184113 2.026185 ESP Fit Center 8530 is at 2.530774 -4.325380 2.026185 ESP Fit Center 8531 is at 2.941057 -4.404950 2.026185 ESP Fit Center 8532 is at 3.358679 -4.420958 2.026185 ESP Fit Center 8533 is at 3.773849 -4.373028 2.026185 ESP Fit Center 8534 is at 4.176838 -4.262285 2.026185 ESP Fit Center 8535 is at 4.558199 -4.091324 2.026185 ESP Fit Center 8536 is at 4.908993 -3.864152 2.026185 ESP Fit Center 8537 is at 5.220998 -3.586093 2.026185 ESP Fit Center 8538 is at 5.486902 -3.263666 2.026185 ESP Fit Center 8539 is at 0.947120 -3.266048 1.612371 ESP Fit Center 8540 is at 1.207314 -3.592321 1.612371 ESP Fit Center 8541 is at 1.513230 -3.876170 1.612371 ESP Fit Center 8542 is at 1.858035 -4.111253 1.612371 ESP Fit Center 8543 is at 2.234025 -4.292321 1.612371 ESP Fit Center 8544 is at 2.632803 -4.415328 1.612371 ESP Fit Center 8545 is at 3.045461 -4.477526 1.612371 ESP Fit Center 8546 is at 3.462779 -4.477526 1.612371 ESP Fit Center 8547 is at 3.875436 -4.415328 1.612371 ESP Fit Center 8548 is at 4.274214 -4.292321 1.612371 ESP Fit Center 8549 is at 4.650205 -4.111253 1.612371 ESP Fit Center 8550 is at 4.995010 -3.876170 1.612371 ESP Fit Center 8551 is at 5.300926 -3.592321 1.612371 ESP Fit Center 8552 is at 2.234025 -4.292321 1.193882 ESP Fit Center 8553 is at 2.632803 -4.415328 1.193882 ESP Fit Center 8554 is at 3.045461 -4.477526 1.193882 ESP Fit Center 8555 is at 3.462779 -4.477526 1.193882 ESP Fit Center 8556 is at 3.875436 -4.415328 1.193882 ESP Fit Center 8557 is at 3.997633 -1.311494 4.248665 ESP Fit Center 8558 is at 4.414389 -1.311494 4.212203 ESP Fit Center 8559 is at 4.206011 -0.950573 4.212203 ESP Fit Center 8560 is at 3.789256 -0.950573 4.212203 ESP Fit Center 8561 is at 3.580878 -1.311494 4.212203 ESP Fit Center 8562 is at 3.789256 -1.672415 4.212203 ESP Fit Center 8563 is at 4.206011 -1.672415 4.212203 ESP Fit Center 8564 is at 4.818482 -1.311494 4.103927 ESP Fit Center 8565 is at 4.708509 -0.901069 4.103927 ESP Fit Center 8566 is at 4.408058 -0.600618 4.103927 ESP Fit Center 8567 is at 3.997633 -0.490645 4.103927 ESP Fit Center 8568 is at 3.587209 -0.600618 4.103927 ESP Fit Center 8569 is at 3.286758 -0.901069 4.103927 ESP Fit Center 8570 is at 3.997633 -2.132342 4.103927 ESP Fit Center 8571 is at 4.408058 -2.022369 4.103927 ESP Fit Center 8572 is at 4.708509 -1.721918 4.103927 ESP Fit Center 8573 is at 5.197633 -1.311494 3.927126 ESP Fit Center 8574 is at 5.125265 -0.901069 3.927126 ESP Fit Center 8575 is at 4.916887 -0.540148 3.927126 ESP Fit Center 8576 is at 4.597633 -0.272263 3.927126 ESP Fit Center 8577 is at 4.206011 -0.129724 3.927126 ESP Fit Center 8578 is at 3.789256 -0.129724 3.927126 ESP Fit Center 8579 is at 3.397633 -0.272263 3.927126 ESP Fit Center 8580 is at 4.206011 -2.493263 3.927126 ESP Fit Center 8581 is at 4.597633 -2.350724 3.927126 ESP Fit Center 8582 is at 4.916887 -2.082839 3.927126 ESP Fit Center 8583 is at 5.125265 -1.721918 3.927126 ESP Fit Center 8584 is at 5.540324 -1.311494 3.687172 ESP Fit Center 8585 is at 5.483117 -0.895281 3.687172 ESP Fit Center 8586 is at 5.315738 -0.509937 3.687172 ESP Fit Center 8587 is at 5.050602 -0.184040 3.687172 ESP Fit Center 8588 is at 4.707371 0.058238 3.687172 ESP Fit Center 8589 is at 4.311503 0.198930 3.687172 ESP Fit Center 8590 is at 3.892357 0.227600 3.687172 ESP Fit Center 8591 is at 3.481018 0.142123 3.687172 ESP Fit Center 8592 is at 3.107994 -0.051162 3.687172 ESP Fit Center 8593 is at 4.707371 -2.681225 3.687172 ESP Fit Center 8594 is at 5.050602 -2.438947 3.687172 ESP Fit Center 8595 is at 5.315738 -2.113051 3.687172 ESP Fit Center 8596 is at 5.483117 -1.727706 3.687172 ESP Fit Center 8597 is at 5.836140 -1.311494 3.391355 ESP Fit Center 8598 is at 5.786583 -0.887505 3.391355 ESP Fit Center 8599 is at 5.640583 -0.486373 3.391355 ESP Fit Center 8600 is at 5.406011 -0.129724 3.391355 ESP Fit Center 8601 is at 5.095513 0.163215 3.391355 ESP Fit Center 8602 is at 4.725829 0.376653 3.391355 ESP Fit Center 8603 is at 4.316887 0.499082 3.391355 ESP Fit Center 8604 is at 3.890734 0.523903 3.391355 ESP Fit Center 8605 is at 3.470344 0.449776 3.391355 ESP Fit Center 8606 is at 3.078380 0.280700 3.391355 ESP Fit Center 8607 is at 5.095513 -2.786202 3.391355 ESP Fit Center 8608 is at 5.406011 -2.493263 3.391355 ESP Fit Center 8609 is at 5.640583 -2.136614 3.391355 ESP Fit Center 8610 is at 5.786583 -1.735482 3.391355 ESP Fit Center 8611 is at 6.076094 -1.311494 3.048665 ESP Fit Center 8612 is at 6.033548 -0.893102 3.048665 ESP Fit Center 8613 is at 5.907651 -0.491840 3.048665 ESP Fit Center 8614 is at 5.703558 -0.124135 3.048665 ESP Fit Center 8615 is at 5.429624 0.194960 3.048665 ESP Fit Center 8616 is at 5.097064 0.452380 3.048665 ESP Fit Center 8617 is at 4.719494 0.637588 3.048665 ESP Fit Center 8618 is at 4.312370 0.742999 3.048665 ESP Fit Center 8619 is at 3.892361 0.764300 3.048665 ESP Fit Center 8620 is at 3.476662 0.700617 3.048665 ESP Fit Center 8621 is at 5.097064 -3.075368 3.048665 ESP Fit Center 8622 is at 5.429624 -2.817947 3.048665 ESP Fit Center 8623 is at 5.703558 -2.498852 3.048665 ESP Fit Center 8624 is at 5.907651 -2.131147 3.048665 ESP Fit Center 8625 is at 6.033548 -1.729885 3.048665 ESP Fit Center 8626 is at 6.252896 -1.311494 2.669513 ESP Fit Center 8627 is at 6.212140 -0.884682 2.669513 ESP Fit Center 8628 is at 6.091347 -0.473297 2.669513 ESP Fit Center 8629 is at 5.894881 -0.092207 2.669513 ESP Fit Center 8630 is at 5.629844 0.244816 2.669513 ESP Fit Center 8631 is at 5.305814 0.525589 2.669513 ESP Fit Center 8632 is at 4.934503 0.739965 2.669513 ESP Fit Center 8633 is at 4.529332 0.880196 2.669513 ESP Fit Center 8634 is at 5.305814 -3.148576 2.669513 ESP Fit Center 8635 is at 5.629844 -2.867803 2.669513 ESP Fit Center 8636 is at 5.894881 -2.530780 2.669513 ESP Fit Center 8637 is at 6.091347 -2.149690 2.669513 ESP Fit Center 8638 is at 6.212140 -1.738305 2.669513 ESP Fit Center 8639 is at 6.361172 -1.311494 2.265421 ESP Fit Center 8640 is at 6.323189 -0.889467 2.265421 ESP Fit Center 8641 is at 6.210461 -0.481006 2.265421 ESP Fit Center 8642 is at 6.026610 -0.099236 2.265421 ESP Fit Center 8643 is at 5.777547 0.243570 2.265421 ESP Fit Center 8644 is at 5.471276 0.536395 2.265421 ESP Fit Center 8645 is at 5.777547 -2.866557 2.265421 ESP Fit Center 8646 is at 6.026610 -2.523751 2.265421 ESP Fit Center 8647 is at 6.210461 -2.141982 2.265421 ESP Fit Center 8648 is at 6.323189 -1.733520 2.265421 ESP Fit Center 8649 is at 6.397633 -1.311494 1.848665 ESP Fit Center 8650 is at 6.361172 -0.894738 1.848665 ESP Fit Center 8651 is at 5.836140 -2.854184 1.848665 ESP Fit Center 8652 is at 6.076094 -2.511494 1.848665 ESP Fit Center 8653 is at 6.252896 -2.132342 1.848665 ESP Fit Center 8654 is at 6.361172 -1.728249 1.848665 ESP Fit Center 8655 is at -6.027319 -3.468476 -1.430524 ESP Fit Center 8656 is at -5.809987 -3.832228 -1.430524 ESP Fit Center 8657 is at -5.531198 -4.151328 -1.430524 ESP Fit Center 8658 is at -5.199911 -4.415521 -1.430524 ESP Fit Center 8659 is at -4.826774 -4.616314 -1.430524 ESP Fit Center 8660 is at -4.423781 -4.747254 -1.430524 ESP Fit Center 8661 is at -4.003884 -4.804133 -1.430524 ESP Fit Center 8662 is at -3.580579 -4.785123 -1.430524 ESP Fit Center 8663 is at -3.167471 -4.690833 -1.430524 ESP Fit Center 8664 is at -2.777838 -4.524296 -1.430524 ESP Fit Center 8665 is at -2.424202 -4.290864 -1.430524 ESP Fit Center 8666 is at -6.142895 -2.657351 -1.834617 ESP Fit Center 8667 is at -6.061753 -3.078355 -1.834617 ESP Fit Center 8668 is at -5.902401 -3.476396 -1.834617 ESP Fit Center 8669 is at -5.670600 -3.837085 -1.834617 ESP Fit Center 8670 is at -5.374727 -4.147388 -1.834617 ESP Fit Center 8671 is at -5.025476 -4.396089 -1.834617 ESP Fit Center 8672 is at -4.635468 -4.574199 -1.834617 ESP Fit Center 8673 is at -4.218802 -4.675282 -1.834617 ESP Fit Center 8674 is at -3.790535 -4.695682 -1.834617 ESP Fit Center 8675 is at -3.366146 -4.634665 -1.834617 ESP Fit Center 8676 is at -2.960975 -4.494433 -1.834617 ESP Fit Center 8677 is at -2.589664 -4.280057 -1.834617 ESP Fit Center 8678 is at -2.265634 -3.999284 -1.834617 ESP Fit Center 8679 is at -2.000597 -3.662261 -1.834617 ESP Fit Center 8680 is at -1.804131 -3.281171 -1.834617 ESP Fit Center 8681 is at -5.965641 -2.232700 -2.213768 ESP Fit Center 8682 is at -5.965641 -2.653249 -2.213768 ESP Fit Center 8683 is at -5.880986 -3.065189 -2.213768 ESP Fit Center 8684 is at -5.715140 -3.451656 -2.213768 ESP Fit Center 8685 is at -5.474894 -3.796827 -2.213768 ESP Fit Center 8686 is at -5.170083 -4.086571 -2.213768 ESP Fit Center 8687 is at -4.813186 -4.309026 -2.213768 ESP Fit Center 8688 is at -4.418816 -4.455085 -2.213768 ESP Fit Center 8689 is at -4.003117 -4.518768 -2.213768 ESP Fit Center 8690 is at -3.583108 -4.497467 -2.213768 ESP Fit Center 8691 is at -3.175984 -4.392056 -2.213768 ESP Fit Center 8692 is at -2.798413 -4.206849 -2.213768 ESP Fit Center 8693 is at -2.465854 -3.949428 -2.213768 ESP Fit Center 8694 is at -2.191920 -3.630333 -2.213768 ESP Fit Center 8695 is at -1.987826 -3.262628 -2.213768 ESP Fit Center 8696 is at -1.861930 -2.861366 -2.213768 ESP Fit Center 8697 is at -2.059338 -2.442975 -2.556459 ESP Fit Center 8698 is at -5.723920 -2.229537 -2.556459 ESP Fit Center 8699 is at -5.723920 -2.656412 -2.556459 ESP Fit Center 8700 is at -5.625476 -3.071781 -2.556459 ESP Fit Center 8701 is at -5.433894 -3.453251 -2.556459 ESP Fit Center 8702 is at -5.159504 -3.780256 -2.556459 ESP Fit Center 8703 is at -4.817098 -4.035168 -2.556459 ESP Fit Center 8704 is at -4.425134 -4.204245 -2.556459 ESP Fit Center 8705 is at -4.004744 -4.278371 -2.556459 ESP Fit Center 8706 is at -3.578591 -4.253550 -2.556459 ESP Fit Center 8707 is at -3.169649 -4.131121 -2.556459 ESP Fit Center 8708 is at -2.799964 -3.917683 -2.556459 ESP Fit Center 8709 is at -2.489467 -3.624744 -2.556459 ESP Fit Center 8710 is at -2.254895 -3.268095 -2.556459 ESP Fit Center 8711 is at -2.108895 -2.866963 -2.556459 ESP Fit Center 8712 is at -2.355154 -2.442975 -2.852275 ESP Fit Center 8713 is at -5.426166 -2.232912 -2.852275 ESP Fit Center 8714 is at -5.426166 -2.653038 -2.852275 ESP Fit Center 8715 is at -5.312817 -3.057584 -2.852275 ESP Fit Center 8716 is at -5.094527 -3.416548 -2.852275 ESP Fit Center 8717 is at -4.787484 -3.703306 -2.852275 ESP Fit Center 8718 is at -4.414460 -3.896591 -2.852275 ESP Fit Center 8719 is at -4.003121 -3.982069 -2.852275 ESP Fit Center 8720 is at -3.583975 -3.953398 -2.852275 ESP Fit Center 8721 is at -3.188107 -3.812707 -2.852275 ESP Fit Center 8722 is at -2.844876 -3.570428 -2.852275 ESP Fit Center 8723 is at -2.579740 -3.244532 -2.852275 ESP Fit Center 8724 is at -2.412361 -2.859187 -2.852275 ESP Fit Center 8725 is at -2.697844 -2.442975 -3.092229 ESP Fit Center 8726 is at -2.770213 -2.032550 -3.092229 ESP Fit Center 8727 is at -5.025476 -2.032550 -3.092229 ESP Fit Center 8728 is at -5.097844 -2.442975 -3.092229 ESP Fit Center 8729 is at -5.025476 -2.853399 -3.092229 ESP Fit Center 8730 is at -4.817098 -3.214320 -3.092229 ESP Fit Center 8731 is at -4.497844 -3.482205 -3.092229 ESP Fit Center 8732 is at -4.106222 -3.624744 -3.092229 ESP Fit Center 8733 is at -3.689467 -3.624744 -3.092229 ESP Fit Center 8734 is at -3.297844 -3.482205 -3.092229 ESP Fit Center 8735 is at -2.978591 -3.214320 -3.092229 ESP Fit Center 8736 is at -2.770213 -2.853399 -3.092229 ESP Fit Center 8737 is at -3.076996 -2.442975 -3.269031 ESP Fit Center 8738 is at -3.186969 -2.032550 -3.269031 ESP Fit Center 8739 is at -4.608720 -2.032550 -3.269031 ESP Fit Center 8740 is at -4.718693 -2.442975 -3.269031 ESP Fit Center 8741 is at -4.608720 -2.853399 -3.269031 ESP Fit Center 8742 is at -4.308269 -3.153850 -3.269031 ESP Fit Center 8743 is at -3.897844 -3.263823 -3.269031 ESP Fit Center 8744 is at -3.487420 -3.153850 -3.269031 ESP Fit Center 8745 is at -3.186969 -2.853399 -3.269031 ESP Fit Center 8746 is at -3.481089 -2.442975 -3.377307 ESP Fit Center 8747 is at -3.689467 -2.082054 -3.377307 ESP Fit Center 8748 is at -4.106222 -2.082054 -3.377307 ESP Fit Center 8749 is at -4.314600 -2.442975 -3.377307 ESP Fit Center 8750 is at -4.106222 -2.803896 -3.377307 ESP Fit Center 8751 is at -3.689467 -2.803896 -3.377307 ESP Fit Center 8752 is at -3.897844 -2.442975 -3.413768 Entering OneElI... OneElI was handed 2147307449 working-precision words. Calculate electrostatic properties NBasis = 287 MinDer = 0 MaxDer = 0 NGrid = 8752 NMatD = 1 Requested accuracy = 0.1000D-05 PrtBox: NBox= 1 Levels= 1 BoxLen= 28.92 SMaxX= 16.90 Shift= 8.070057 4.616553 3.198046 Box 1 Number 0 centers from 1 to 94: ShPair: Thresh= 1.00D-06 NBox= 1 BxSize= 2.89D+01 RnKept= 1.37D+01 NSMCal= 4465 NSMKep= 2149 PrmmSu-InSpLW: IPartL= 0 NPrtUS= 12 NPrtUL= 1 DoSpLW=F IThBeg= 0 IThEnd= 11 NThAct= 12. PrsmSu: NPrtUS= 12 ThrOK=T IAlg=1 NPAlg=1 LenDen= 0 ISkipM=0 DoSpLW=F IThBeg= 0 IThEnd= 11. Prism: IPart= 0 DynPar=F LinDyn=F Incr= 512. PRISM was handed 178738269 working-precision words and 2149 shell-pairs PRISM was handed 178738269 working-precision words and 2149 shell-pairs PRISM was handed 178738269 working-precision words and 2149 shell-pairs PRISM was handed 178738269 working-precision words and 2149 shell-pairs PRISM was handed 178738269 working-precision words and 2149 shell-pairs PRISM was handed 178738269 working-precision words and 2149 shell-pairs PRISM was handed 178738269 working-precision words and 2149 shell-pairs PRISM was handed 178738269 working-precision words and 2149 shell-pairs PRISM was handed 178738269 working-precision words and 2149 shell-pairs PRISM was handed 178738269 working-precision words and 2149 shell-pairs PRISM was handed 178738269 working-precision words and 2149 shell-pairs PRISM was handed 178738269 working-precision words and 2149 shell-pairs IPart= 2 NShTot= 1654128 NBatch= 1707 AvBLen= 969.0 PrsmSu-ThDecC: IPartSL= 2 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 12. IPart= 6 NShTot= 1549104 NBatch= 1571 AvBLen= 986.1 PrsmSu-ThDecC: IPartSL= 6 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 11. IPart= 5 NShTot= 1566608 NBatch= 1584 AvBLen= 989.0 PrsmSu-ThDecC: IPartSL= 5 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 10. IPart= 7 NShTot= 1522848 NBatch= 1543 AvBLen= 986.9 PrsmSu-ThDecC: IPartSL= 7 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 9. IPart= 10 NShTot= 1435328 NBatch= 1429 AvBLen= 1004.4 PrsmSu-ThDecC: IPartSL= 10 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 8. IPart= 11 NShTot= 1417824 NBatch= 1414 AvBLen= 1002.7 PrsmSu-ThDecC: IPartSL= 11 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 7. IPart= 8 NShTot= 1487840 NBatch= 1496 AvBLen= 994.5 PrsmSu-ThDecC: IPartSL= 8 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 6. IPart= 1 NShTot= 1715392 NBatch= 1900 AvBLen= 902.8 PrsmSu-ThDecC: IPartSL= 1 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 5. IPart= 3 NShTot= 1610368 NBatch= 1654 AvBLen= 973.6 PrsmSu-ThDecC: IPartSL= 3 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 4. IPart= 9 NShTot= 1470336 NBatch= 1474 AvBLen= 997.5 PrsmSu-ThDecC: IPartSL= 9 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 3. IPart= 4 NShTot= 1601616 NBatch= 1649 AvBLen= 971.3 PrsmSu-ThDecC: IPartSL= 4 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 2. IPart= 0 NShTot= 1776656 NBatch= 1976 AvBLen= 899.1 PrsmSu-ThDecC: IPartSL= 0 0 NPrtUSL= 12 1 IThBeg= 0 IThEnd= 11 CPU= -1 GPU= -1 NThAct= 1. PrSmSu: NxtVal= 6145. 8723 points will be used for fitting atomic charges Fitting point charges to electrostatic potential Charges from ESP fit, RMS= 0.00132 RRMS= 0.00641: ESP charges: 1 1 P 1.331885 2 O -0.847333 3 O -0.890192 4 O -0.781297 5 C -0.410351 6 H 0.166120 7 C -0.283347 8 H 0.186008 9 C 0.347407 10 H 0.064024 11 O -0.628744 12 C 0.723274 13 H -0.071885 14 C -0.503359 15 C 0.318035 16 H 0.068512 17 C -0.493801 18 H 0.119666 19 H 0.105256 20 O -0.575180 21 H 0.063323 22 H 0.151020 23 H 0.096875 24 P 1.354972 25 O -0.862287 26 O -0.820470 27 O -0.773902 28 H 0.426867 29 H 0.418907 Sum of ESP charges = -2.00000 ESP charges with hydrogens summed into heavy atoms: 1 1 P 1.331885 2 O -0.847333 3 O -0.890192 4 O -0.362390 5 C -0.244231 7 C -0.097340 9 C 0.411431 11 O -0.628744 12 C 0.651388 14 C -0.192142 15 C 0.386547 17 C -0.268879 20 O -0.575180 24 P 1.354972 25 O -0.862287 26 O -0.820470 27 O -0.347034 Charge= -2.00000 Dipole= 4.2254 6.2524 2.2520 Tot= 7.8751 ----------------------------------------------------------------- Electrostatic Properties (Atomic Units) ----------------------------------------------------------------- Center Electric -------- Electric Field -------- Potential X Y Z ----------------------------------------------------------------- 1 Atom -54.304509 2 Atom -22.657174 3 Atom -22.654205 4 Atom -22.554108 5 Atom -14.982705 6 Atom -1.342002 7 Atom -14.963829 8 Atom -1.349199 9 Atom -14.899870 10 Atom -1.347923 11 Atom -22.532200 12 Atom -14.875626 13 Atom -1.336864 14 Atom -14.924849 15 Atom -14.890066 16 Atom -1.337847 17 Atom -14.941919 18 Atom -1.322768 19 Atom -1.319222 20 Atom -22.545463 21 Atom -1.298478 22 Atom -1.308960 23 Atom -1.305107 24 Atom -54.269436 25 Atom -22.640784 26 Atom -22.644248 27 Atom -22.538623 28 Atom -1.206277 29 Atom -1.221585 30 Fit -0.265873 31 Fit -0.263874 32 Fit -0.265024 33 Fit -0.278956 34 Fit -0.268032 35 Fit -0.257710 36 Fit -0.249023 37 Fit -0.264962 38 Fit -0.285716 39 Fit -0.280248 40 Fit -0.264437 41 Fit -0.253669 42 Fit -0.242899 43 Fit -0.254802 44 Fit -0.261358 45 Fit -0.280353 46 Fit -0.280674 47 Fit -0.246992 48 Fit -0.247989 49 Fit -0.251450 50 Fit -0.258539 51 Fit -0.268029 52 Fit -0.269164 53 Fit -0.267555 54 Fit -0.271534 55 Fit -0.246365 56 Fit -0.245260 57 Fit -0.243608 58 Fit -0.246709 59 Fit -0.253251 60 Fit -0.261542 61 Fit -0.270010 62 Fit -0.277275 63 Fit -0.282227 64 Fit -0.284145 65 Fit -0.282798 66 Fit -0.278489 67 Fit -0.272056 68 Fit -0.264812 69 Fit -0.258443 70 Fit -0.254901 71 Fit -0.256288 72 Fit -0.242878 73 Fit -0.244076 74 Fit -0.249481 75 Fit -0.257161 76 Fit -0.265349 77 Fit -0.272523 78 Fit -0.277460 79 Fit -0.279356 80 Fit -0.277926 81 Fit -0.273447 82 Fit -0.266712 83 Fit -0.258949 84 Fit -0.251709 85 Fit -0.246805 86 Fit -0.246308 87 Fit -0.252506 88 Fit -0.245687 89 Fit -0.248204 90 Fit -0.254898 91 Fit -0.263849 92 Fit -0.273083 93 Fit -0.280830 94 Fit -0.283775 95 Fit -0.277327 96 Fit -0.268455 97 Fit -0.258656 98 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Leave Link 602 at Tue Apr 23 23:27:01 2024, MaxMem= 2147483648 cpu: 10.9 elap: 1.2 Test job not archived. 1\1\GINC-LV-HIVE\FOpt\RHF\6-31G(d)\C7H12O8P2(2-)\ROS\23-Apr-2024\0\\#H F/6-31G* SCF=tight Test Pop=MK iop(6/33=2) iop(6/42=6) opt\\remark lin e goes here\\-2,1\P,1.6026224184,1.775195345,-0.6376600596\O,2.5900875 833,1.4384605427,-1.6847119088\O,0.5917122457,0.8121615975,-0.13323367 34\O,0.760218126,3.0954290487,-1.1679897088\C,2.4975976212,2.499481776 2,0.7804878564\H,3.1967023906,3.2865302555,0.5423136496\C,2.3484562246 ,2.0816889584,2.0268728562\H,1.6376969385,1.2918775162,2.2075457362\C, 3.0530470444,2.5375032733,3.2888822779\H,2.3803931117,3.1162930049,3.9 058872152\O,3.4177448368,1.3695712146,4.0294573079\C,4.7961341378,1.09 81437449,3.913393161\H,5.251811311,1.2588179789,4.8867431518\C,4.99845 10987,-0.3510831054,3.4955537848\C,4.3732239806,3.2909671269,3.1190885 93\H,4.3596273274,3.989795554,2.2968038126\C,5.3423145902,2.1317104821 ,2.9221476844\H,5.2791048702,1.7591317506,1.9051770285\H,6.3655090423, 2.4183695877,3.1342749312\O,4.7371778596,3.9320930362,4.3161179764\H,6 .0590135792,-0.5886653741,3.4249686106\H,4.5357587363,-0.5340409856,2. 5317490649\H,4.5479276657,-1.0224399543,4.221345819\P,4.4303674998,5.5 173819806,4.5793643396\O,4.9868669792,5.8206747916,5.9118966937\O,3.05 61652667,5.8235072367,4.1575533695\O,5.4488538865,6.1924331123,3.47714 33652\H,6.2911999936,6.2746855348,3.902202954\H,-0.0677863661,3.092324 9689,-0.707375889\\Version=ES64L-G16RevA.03\State=1-A\HF=-1552.5716886 \RMSD=7.251e-09\RMSF=4.928e-06\Dipole=2.383094,-1.2119147,1.564994\Qua drupole=32.1193815,0.8336573,-32.9530389,-16.8641386,-27.1401373,-41.1 665887\PG=C01 [X(C7H12O8P2)]\\@ THOUGH I SPEAK WITH THE TONGUES OF MEN AND OF ANGELS, AND HAVE NOT LOVE, I AM BECOME AS SOUNDING BRASS, A TINKLING CYMBAL. AND THOUGH I HAVE THE GIFT OF PROPHECY, AND UNDERSTAND ALL MYSTERIES, AND ALL KNOWLEDGE. AND THOUGH I HAVE ALL FAITH, SO THAT I COULD REMOVE MOUNTAINS, AND HAVE NOT LOVE, I AM NOTHING. AND THOUGH I BESTOW ALL MY GOODS TO FEED THE POOR, AND THOUGH I GIVE MY BODY TO BE BURNED, AND HAVE NOT LOVE IT PROFITETH ME NOTHING. LOVE SUFFERETH LONG, AND IS KIND, LOVE ENVIETH NOT, LOVE VAUNTETH NOT ITSELF, IS NOT PUFFED UP, DOTH NOT BEHAVE ITSELF UNSEEMLY, SEEKETH NOT HER OWN, IS NOT EASILY PROVOKED, THINKETH NO EVIL, REJOICETH NOT IN INIQUITY, BUT REJOICETH IN THE TRUTH, BEARETH ALL THINGS, BELIEVETH ALL THINGS, HOPETH ALL THINGS, ENDURETH ALL THINGS. LOVE NEVER FAILETH, BUT WHETHER THERE BE PROPHECIES, THEY SHALL FAIL, WHETHER THERE BE TONGUES, THEY SHALL CEASE, WHETHER THERE BE KNOWLEDGE, IT SHALL VANISH AWAY. FOR WE KNOW IN PART, AND WE PROPHESY IN PART. BUT WHEN THAT WHICH IS PERFECT IS COME, THEN THAT WHICH IS IN PART SHALL BE DONE AWAY. WHEN I WAS A CHILD, I SPAKE AS A CHILD, I UNDERSTOOD AS A CHILD, I THOUGHT AS A CHILD. BUT WHEN I BECAME A MAN, I PUT AWAY CHILDISH THINGS. FOR NOW WE SEE THROUGH A GLASS, DARKLY, BUT THEN FACE TO FACE. NOW I KNOW IN PART. BUT THEN SHALL I KNOW EVEN AS ALSO I AM KNOWN. AND NOW ABIDETH FAITH, HOPE AND LOVE, THESE THREE. BUT THE GREATEST OF THESE IS LOVE. I CORINTHIANS 13 Job cpu time: 0 days 5 hours 44 minutes 9.5 seconds. Elapsed time: 0 days 0 hours 35 minutes 24.1 seconds. File lengths (MBytes): RWF= 57 Int= 0 D2E= 0 Chk= 8 Scr= 1 Normal termination of Gaussian 16 at Tue Apr 23 23:27:02 2024.